REMARK FILENAME="/vp4/nmr/scrtch/hoch/connolly/xplor-calcs/ls3100ng3/ls3_100n" REMARK =============================================================== REMARK overall,bonds,angles,improper,vdw,noe,cdih REMARK energies: 347.801, 17.487, 141.506, 12.5044, 26.6006, 92.6961, 0.128805 56.8777 REMARK =============================================================== REMARK bonds,angles,impropers,noe,cdih,coup REMARK rms-d: 4.232853E-03,0.727176,0.445855,6.095304E-02,0.216754,1.35453 REMARK =============================================================== REMARK noe5, noe3, cdih REMARK violations.: 0, 3, 0 REMARK =============================================================== REMARK DATE:06-Sep-94 11:19:14 created by user: hoch ATOM 1 CA ARG 1 -2.829 12.898 5.050 1.00 0.00 ls3 ATOM 2 HA ARG 1 -2.649 11.974 5.577 1.00 0.00 ls3 ATOM 3 CB ARG 1 -4.224 13.420 5.401 1.00 0.00 ls3 ATOM 4 HB1 ARG 1 -4.135 14.367 5.912 1.00 0.00 ls3 ATOM 5 HB2 ARG 1 -4.798 13.554 4.496 1.00 0.00 ls3 ATOM 6 CG ARG 1 -4.932 12.415 6.311 1.00 0.00 ls3 ATOM 7 HG1 ARG 1 -5.613 11.815 5.725 1.00 0.00 ls3 ATOM 8 HG2 ARG 1 -4.197 11.772 6.775 1.00 0.00 ls3 ATOM 9 CD ARG 1 -5.712 13.166 7.393 1.00 0.00 ls3 ATOM 10 HD1 ARG 1 -5.242 13.008 8.352 1.00 0.00 ls3 ATOM 11 HD2 ARG 1 -5.719 14.221 7.165 1.00 0.00 ls3 ATOM 12 NE ARG 1 -7.113 12.659 7.437 1.00 0.00 ls3 ATOM 13 HE ARG 1 -7.595 12.481 6.603 1.00 0.00 ls3 ATOM 14 CZ ARG 1 -7.700 12.452 8.585 1.00 0.00 ls3 ATOM 15 NH1 ARG 1 -7.860 11.234 9.026 1.00 0.00 ls3 ATOM 16 HH11 ARG 1 -7.535 10.459 8.484 1.00 0.00 ls3 ATOM 17 HH12 ARG 1 -8.310 11.075 9.905 1.00 0.00 ls3 ATOM 18 NH2 ARG 1 -8.128 13.463 9.292 1.00 0.00 ls3 ATOM 19 HH21 ARG 1 -8.008 14.396 8.954 1.00 0.00 ls3 ATOM 20 HH22 ARG 1 -8.578 13.304 10.171 1.00 0.00 ls3 ATOM 21 C ARG 1 -2.735 12.656 3.540 1.00 0.00 ls3 ATOM 22 O ARG 1 -3.205 13.450 2.749 1.00 0.00 ls3 ATOM 23 N ARG 1 -1.814 13.908 5.456 1.00 0.00 ls3 ATOM 24 HT1 ARG 1 -1.801 14.683 4.765 1.00 0.00 ls3 ATOM 25 HT2 ARG 1 -2.059 14.284 6.396 1.00 0.00 ls3 ATOM 26 HT3 ARG 1 -0.877 13.464 5.493 1.00 0.00 ls3 ATOM 27 N GLU 2 -2.132 11.571 3.126 1.00 0.00 ls3 ATOM 28 HN GLU 2 -1.757 10.936 3.774 1.00 0.00 ls3 ATOM 29 CA GLU 2 -2.023 11.303 1.661 1.00 0.00 ls3 ATOM 30 HA GLU 2 -2.819 11.818 1.146 1.00 0.00 ls3 ATOM 31 CB GLU 2 -0.675 11.817 1.150 1.00 0.00 ls3 ATOM 32 HB1 GLU 2 -0.505 12.816 1.522 1.00 0.00 ls3 ATOM 33 HB2 GLU 2 0.113 11.164 1.495 1.00 0.00 ls3 ATOM 34 CG GLU 2 -0.686 11.837 -0.379 1.00 0.00 ls3 ATOM 35 HG1 GLU 2 0.119 11.223 -0.753 1.00 0.00 ls3 ATOM 36 HG2 GLU 2 -1.629 11.451 -0.737 1.00 0.00 ls3 ATOM 37 CD GLU 2 -0.504 13.274 -0.873 1.00 0.00 ls3 ATOM 38 OE1 GLU 2 -1.504 13.920 -1.137 1.00 0.00 ls3 ATOM 39 OE2 GLU 2 0.633 13.703 -0.979 1.00 0.00 ls3 ATOM 40 C GLU 2 -2.133 9.800 1.378 1.00 0.00 ls3 ATOM 41 O GLU 2 -1.244 9.208 0.800 1.00 0.00 ls3 ATOM 42 N CYS 3 -3.214 9.177 1.765 1.00 0.00 ls3 ATOM 43 HN CYS 3 -3.929 9.667 2.220 1.00 0.00 ls3 ATOM 44 CA CYS 3 -3.364 7.716 1.502 1.00 0.00 ls3 ATOM 45 HA CYS 3 -2.911 7.467 0.564 1.00 0.00 ls3 ATOM 46 HB1 CYS 3 -3.079 7.246 3.571 1.00 0.00 ls3 ATOM 47 HB2 CYS 3 -2.913 5.865 2.489 1.00 0.00 ls3 ATOM 48 C CYS 3 -4.839 7.356 1.437 1.00 0.00 ls3 ATOM 49 O CYS 3 -5.256 6.646 0.548 1.00 0.00 ls3 ATOM 50 CB CYS 3 -2.695 6.915 2.619 1.00 0.00 ls3 ATOM 51 SG CYS 3 -0.899 7.169 2.566 1.00 0.00 ls3 ATOM 52 N TYR 4 -5.616 7.840 2.373 1.00 0.00 ls3 ATOM 53 HN TYR 4 -5.226 8.406 3.068 1.00 0.00 ls3 ATOM 54 CA TYR 4 -7.085 7.534 2.399 1.00 0.00 ls3 ATOM 55 HA TYR 4 -7.255 6.634 2.972 1.00 0.00 ls3 ATOM 56 CB TYR 4 -7.849 8.689 3.040 1.00 0.00 ls3 ATOM 57 HB1 TYR 4 -8.902 8.590 2.806 1.00 0.00 ls3 ATOM 58 HB2 TYR 4 -7.722 8.659 4.109 1.00 0.00 ls3 ATOM 59 CG TYR 4 -7.325 10.001 2.487 1.00 0.00 ls3 ATOM 60 CD1 TYR 4 -7.912 10.560 1.343 1.00 0.00 ls3 ATOM 61 HD1 TYR 4 -8.735 10.057 0.859 1.00 0.00 ls3 ATOM 62 CD2 TYR 4 -6.260 10.652 3.117 1.00 0.00 ls3 ATOM 63 HD2 TYR 4 -5.808 10.222 3.998 1.00 0.00 ls3 ATOM 64 CE1 TYR 4 -7.431 11.770 0.829 1.00 0.00 ls3 ATOM 65 HE1 TYR 4 -7.883 12.201 -0.052 1.00 0.00 ls3 ATOM 66 CE2 TYR 4 -5.781 11.863 2.602 1.00 0.00 ls3 ATOM 67 HE2 TYR 4 -4.964 12.365 3.087 1.00 0.00 ls3 ATOM 68 CZ TYR 4 -6.365 12.422 1.460 1.00 0.00 ls3 ATOM 69 OH TYR 4 -5.889 13.614 0.955 1.00 0.00 ls3 ATOM 70 HH TYR 4 -6.628 14.087 0.565 1.00 0.00 ls3 ATOM 71 C TYR 4 -7.612 7.359 0.979 1.00 0.00 ls3 ATOM 72 O TYR 4 -7.041 7.890 0.054 1.00 0.00 ls3 ATOM 73 N LEU 5 -8.717 6.647 0.835 1.00 0.00 ls3 ATOM 74 HN LEU 5 -9.133 6.269 1.627 1.00 0.00 ls3 ATOM 75 CA LEU 5 -9.364 6.398 -0.501 1.00 0.00 ls3 ATOM 76 HA LEU 5 -10.388 6.697 -0.459 1.00 0.00 ls3 ATOM 77 CB LEU 5 -8.678 7.180 -1.599 1.00 0.00 ls3 ATOM 78 HB1 LEU 5 -7.625 7.091 -1.488 1.00 0.00 ls3 ATOM 79 HB2 LEU 5 -8.954 6.764 -2.542 1.00 0.00 ls3 ATOM 80 CG LEU 5 -9.094 8.646 -1.514 1.00 0.00 ls3 ATOM 81 HG LEU 5 -9.281 8.900 -0.477 1.00 0.00 ls3 ATOM 82 CD1 LEU 5 -7.973 9.528 -2.066 1.00 0.00 ls3 ATOM 83 HD11 LEU 5 -7.259 8.915 -2.596 1.00 0.00 ls3 ATOM 84 HD12 LEU 5 -7.477 10.034 -1.250 1.00 0.00 ls3 ATOM 85 HD13 LEU 5 -8.390 10.260 -2.742 1.00 0.00 ls3 ATOM 86 CD2 LEU 5 -10.367 8.864 -2.334 1.00 0.00 ls3 ATOM 87 HD21 LEU 5 -11.231 8.763 -1.694 1.00 0.00 ls3 ATOM 88 HD22 LEU 5 -10.352 9.854 -2.766 1.00 0.00 ls3 ATOM 89 HD23 LEU 5 -10.416 8.129 -3.124 1.00 0.00 ls3 ATOM 90 C LEU 5 -9.278 4.932 -0.909 1.00 0.00 ls3 ATOM 91 O LEU 5 -10.282 4.292 -1.151 1.00 0.00 ls3 ATOM 92 N ASN 6 -8.104 4.402 -1.028 1.00 0.00 ls3 ATOM 93 HN ASN 6 -7.304 4.937 -0.851 1.00 0.00 ls3 ATOM 94 CA ASN 6 -7.992 2.984 -1.469 1.00 0.00 ls3 ATOM 95 HA ASN 6 -8.252 2.923 -2.514 1.00 0.00 ls3 ATOM 96 CB ASN 6 -6.559 2.489 -1.279 1.00 0.00 ls3 ATOM 97 HB1 ASN 6 -5.881 3.329 -1.299 1.00 0.00 ls3 ATOM 98 HB2 ASN 6 -6.476 1.981 -0.329 1.00 0.00 ls3 ATOM 99 CG ASN 6 -6.208 1.521 -2.407 1.00 0.00 ls3 ATOM 100 OD1 ASN 6 -6.514 1.769 -3.556 1.00 0.00 ls3 ATOM 101 ND2 ASN 6 -5.571 0.420 -2.126 1.00 0.00 ls3 ATOM 102 HD21 ASN 6 -5.321 0.223 -1.199 1.00 0.00 ls3 ATOM 103 HD22 ASN 6 -5.343 -0.211 -2.841 1.00 0.00 ls3 ATOM 104 C ASN 6 -8.950 2.113 -0.652 1.00 0.00 ls3 ATOM 105 O ASN 6 -9.047 2.263 0.547 1.00 0.00 ls3 ATOM 106 N PRO 7 -9.626 1.217 -1.325 1.00 0.00 ls3 ATOM 107 CA PRO 7 -10.573 0.301 -0.674 1.00 0.00 ls3 ATOM 108 HA PRO 7 -11.206 0.831 0.019 1.00 0.00 ls3 ATOM 109 CB PRO 7 -11.403 -0.251 -1.836 1.00 0.00 ls3 ATOM 110 HB1 PRO 7 -11.613 -1.298 -1.676 1.00 0.00 ls3 ATOM 111 HB2 PRO 7 -12.325 0.303 -1.929 1.00 0.00 ls3 ATOM 112 CG PRO 7 -10.541 -0.069 -3.109 1.00 0.00 ls3 ATOM 113 HG1 PRO 7 -10.037 -0.994 -3.349 1.00 0.00 ls3 ATOM 114 HG2 PRO 7 -11.164 0.239 -3.935 1.00 0.00 ls3 ATOM 115 CD PRO 7 -9.508 1.028 -2.787 1.00 0.00 ls3 ATOM 116 HD2 PRO 7 -9.752 1.942 -3.307 1.00 0.00 ls3 ATOM 117 HD1 PRO 7 -8.513 0.698 -3.046 1.00 0.00 ls3 ATOM 118 C PRO 7 -9.798 -0.812 0.031 1.00 0.00 ls3 ATOM 119 O PRO 7 -10.365 -1.669 0.679 1.00 0.00 ls3 ATOM 120 N HIS 8 -8.497 -0.797 -0.090 1.00 0.00 ls3 ATOM 121 HN HIS 8 -8.063 -0.093 -0.615 1.00 0.00 ls3 ATOM 122 CA HIS 8 -7.668 -1.839 0.567 1.00 0.00 ls3 ATOM 123 HA HIS 8 -8.228 -2.757 0.634 1.00 0.00 ls3 ATOM 124 CB HIS 8 -6.399 -2.059 -0.256 1.00 0.00 ls3 ATOM 125 HB1 HIS 8 -6.340 -1.306 -1.025 1.00 0.00 ls3 ATOM 126 HB2 HIS 8 -5.535 -1.983 0.387 1.00 0.00 ls3 ATOM 127 CG HIS 8 -6.432 -3.418 -0.897 1.00 0.00 ls3 ATOM 128 ND1 HIS 8 -5.313 -3.975 -1.494 1.00 0.00 ls3 ATOM 129 HD1 HIS 8 -4.425 -3.566 -1.556 1.00 0.00 ls3 ATOM 130 CD2 HIS 8 -7.438 -4.339 -1.050 1.00 0.00 ls3 ATOM 131 HD2 HIS 8 -8.451 -4.218 -0.696 1.00 0.00 ls3 ATOM 132 CE1 HIS 8 -5.666 -5.181 -1.974 1.00 0.00 ls3 ATOM 133 HE1 HIS 8 -4.985 -5.856 -2.475 1.00 0.00 ls3 ATOM 134 NE2 HIS 8 -6.953 -5.452 -1.732 1.00 0.00 ls3 ATOM 135 C HIS 8 -7.295 -1.367 1.971 1.00 0.00 ls3 ATOM 136 O HIS 8 -6.178 -1.531 2.418 1.00 0.00 ls3 ATOM 137 N ASP 9 -8.234 -0.784 2.663 1.00 0.00 ls3 ATOM 138 HN ASP 9 -9.124 -0.674 2.270 1.00 0.00 ls3 ATOM 139 CA ASP 9 -7.968 -0.292 4.048 1.00 0.00 ls3 ATOM 140 HA ASP 9 -8.906 -0.196 4.575 1.00 0.00 ls3 ATOM 141 CB ASP 9 -7.079 -1.294 4.789 1.00 0.00 ls3 ATOM 142 HB1 ASP 9 -7.030 -2.215 4.227 1.00 0.00 ls3 ATOM 143 HB2 ASP 9 -6.086 -0.884 4.896 1.00 0.00 ls3 ATOM 144 CG ASP 9 -7.668 -1.571 6.173 1.00 0.00 ls3 ATOM 145 OD1 ASP 9 -7.455 -0.760 7.060 1.00 0.00 ls3 ATOM 146 OD2 ASP 9 -8.322 -2.590 6.324 1.00 0.00 ls3 ATOM 147 C ASP 9 -7.273 1.075 4.008 1.00 0.00 ls3 ATOM 148 O ASP 9 -7.565 1.946 4.804 1.00 0.00 ls3 ATOM 149 N THR 10 -6.351 1.277 3.103 1.00 0.00 ls3 ATOM 150 HN THR 10 -6.116 0.569 2.471 1.00 0.00 ls3 ATOM 151 CA THR 10 -5.649 2.590 3.044 1.00 0.00 ls3 ATOM 152 HA THR 10 -4.837 2.534 2.333 1.00 0.00 ls3 ATOM 153 CB THR 10 -6.643 3.689 2.627 1.00 0.00 ls3 ATOM 154 HB THR 10 -6.748 4.396 3.436 1.00 0.00 ls3 ATOM 155 OG1 THR 10 -7.904 3.099 2.358 1.00 0.00 ls3 ATOM 156 HG1 THR 10 -8.482 3.781 2.008 1.00 0.00 ls3 ATOM 157 CG2 THR 10 -6.143 4.429 1.376 1.00 0.00 ls3 ATOM 158 HG21 THR 10 -6.874 5.171 1.076 1.00 0.00 ls3 ATOM 159 HG22 THR 10 -5.998 3.732 0.570 1.00 0.00 ls3 ATOM 160 HG23 THR 10 -5.208 4.920 1.597 1.00 0.00 ls3 ATOM 161 C THR 10 -5.096 2.914 4.436 1.00 0.00 ls3 ATOM 162 O THR 10 -5.246 2.147 5.367 1.00 0.00 ls3 ATOM 163 N GLN 11 -4.472 4.047 4.590 1.00 0.00 ls3 ATOM 164 HN GLN 11 -4.372 4.654 3.835 1.00 0.00 ls3 ATOM 165 CA GLN 11 -3.928 4.427 5.918 1.00 0.00 ls3 ATOM 166 HA GLN 11 -4.727 4.405 6.638 1.00 0.00 ls3 ATOM 167 CB GLN 11 -2.834 3.441 6.338 1.00 0.00 ls3 ATOM 168 HB1 GLN 11 -3.286 2.493 6.590 1.00 0.00 ls3 ATOM 169 HB2 GLN 11 -2.142 3.302 5.526 1.00 0.00 ls3 ATOM 170 CG GLN 11 -2.090 3.989 7.557 1.00 0.00 ls3 ATOM 171 HG1 GLN 11 -1.469 4.819 7.257 1.00 0.00 ls3 ATOM 172 HG2 GLN 11 -2.806 4.322 8.294 1.00 0.00 ls3 ATOM 173 CD GLN 11 -1.213 2.888 8.159 1.00 0.00 ls3 ATOM 174 OE1 GLN 11 -0.517 2.192 7.446 1.00 0.00 ls3 ATOM 175 NE2 GLN 11 -1.216 2.699 9.450 1.00 0.00 ls3 ATOM 176 HE21 GLN 11 -1.776 3.260 10.026 1.00 0.00 ls3 ATOM 177 HE22 GLN 11 -0.656 1.997 9.844 1.00 0.00 ls3 ATOM 178 C GLN 11 -3.364 5.848 5.839 1.00 0.00 ls3 ATOM 179 O GLN 11 -2.172 6.060 5.734 1.00 0.00 ls3 ATOM 180 N THR 12 -4.233 6.820 5.876 1.00 0.00 ls3 ATOM 181 HN THR 12 -5.181 6.613 5.948 1.00 0.00 ls3 ATOM 182 CA THR 12 -3.808 8.241 5.794 1.00 0.00 ls3 ATOM 183 HA THR 12 -3.657 8.507 4.763 1.00 0.00 ls3 ATOM 184 CB THR 12 -4.913 9.119 6.378 1.00 0.00 ls3 ATOM 185 HB THR 12 -4.765 10.136 6.062 1.00 0.00 ls3 ATOM 186 OG1 THR 12 -4.874 9.049 7.797 1.00 0.00 ls3 ATOM 187 HG1 THR 12 -5.775 9.110 8.122 1.00 0.00 ls3 ATOM 188 CG2 THR 12 -6.271 8.627 5.874 1.00 0.00 ls3 ATOM 189 HG21 THR 12 -6.130 8.035 4.979 1.00 0.00 ls3 ATOM 190 HG22 THR 12 -6.902 9.473 5.646 1.00 0.00 ls3 ATOM 191 HG23 THR 12 -6.741 8.020 6.633 1.00 0.00 ls3 ATOM 192 C THR 12 -2.511 8.465 6.573 1.00 0.00 ls3 ATOM 193 O THR 12 -2.227 7.795 7.545 1.00 0.00 ls3 ATOM 194 N CYS 13 -1.726 9.414 6.143 1.00 0.00 ls3 ATOM 195 HN CYS 13 -1.984 9.936 5.356 1.00 0.00 ls3 ATOM 196 CA CYS 13 -0.443 9.712 6.837 1.00 0.00 ls3 ATOM 197 HA CYS 13 -0.355 9.102 7.722 1.00 0.00 ls3 ATOM 198 HB1 CYS 13 0.781 8.346 5.725 1.00 0.00 ls3 ATOM 199 HB2 CYS 13 0.543 9.907 4.943 1.00 0.00 ls3 ATOM 200 C CYS 13 -0.412 11.196 7.218 1.00 0.00 ls3 ATOM 201 O CYS 13 0.188 11.994 6.527 1.00 0.00 ls3 ATOM 202 CB CYS 13 0.715 9.411 5.887 1.00 0.00 ls3 ATOM 203 SG CYS 13 2.263 10.009 6.605 1.00 0.00 ls3 ATOM 204 N PRO 14 -1.071 11.523 8.300 1.00 0.00 ls3 ATOM 205 CA PRO 14 -1.150 12.911 8.788 1.00 0.00 ls3 ATOM 206 HA PRO 14 -1.373 13.584 7.977 1.00 0.00 ls3 ATOM 207 CB PRO 14 -2.319 12.880 9.774 1.00 0.00 ls3 ATOM 208 HB1 PRO 14 -2.100 13.504 10.628 1.00 0.00 ls3 ATOM 209 HB2 PRO 14 -3.223 13.219 9.289 1.00 0.00 ls3 ATOM 210 CG PRO 14 -2.476 11.406 10.219 1.00 0.00 ls3 ATOM 211 HG1 PRO 14 -1.993 11.255 11.173 1.00 0.00 ls3 ATOM 212 HG2 PRO 14 -3.523 11.150 10.290 1.00 0.00 ls3 ATOM 213 CD PRO 14 -1.794 10.544 9.140 1.00 0.00 ls3 ATOM 214 HD2 PRO 14 -1.102 9.851 9.596 1.00 0.00 ls3 ATOM 215 HD1 PRO 14 -2.532 10.015 8.555 1.00 0.00 ls3 ATOM 216 C PRO 14 0.149 13.324 9.486 1.00 0.00 ls3 ATOM 217 O PRO 14 0.903 14.132 8.982 1.00 0.00 ls3 ATOM 218 N SER 15 0.415 12.784 10.643 1.00 0.00 ls3 ATOM 219 HN SER 15 -0.206 12.137 11.038 1.00 0.00 ls3 ATOM 220 CA SER 15 1.663 13.159 11.364 1.00 0.00 ls3 ATOM 221 HA SER 15 2.022 14.107 10.990 1.00 0.00 ls3 ATOM 222 CB SER 15 1.367 13.282 12.860 1.00 0.00 ls3 ATOM 223 HB1 SER 15 0.901 14.236 13.058 1.00 0.00 ls3 ATOM 224 HB2 SER 15 0.702 12.487 13.162 1.00 0.00 ls3 ATOM 225 OG SER 15 2.581 13.188 13.592 1.00 0.00 ls3 ATOM 226 HG SER 15 2.893 14.079 13.765 1.00 0.00 ls3 ATOM 227 C SER 15 2.729 12.085 11.140 1.00 0.00 ls3 ATOM 228 O SER 15 2.525 10.924 11.431 1.00 0.00 ls3 ATOM 229 N GLY 16 3.867 12.465 10.624 1.00 0.00 ls3 ATOM 230 HN GLY 16 4.012 13.407 10.397 1.00 0.00 ls3 ATOM 231 CA GLY 16 4.946 11.467 10.381 1.00 0.00 ls3 ATOM 232 HA1 GLY 16 5.665 11.511 11.184 1.00 0.00 ls3 ATOM 233 HA2 GLY 16 4.516 10.476 10.336 1.00 0.00 ls3 ATOM 234 C GLY 16 5.646 11.783 9.058 1.00 0.00 ls3 ATOM 235 O GLY 16 6.184 12.855 8.870 1.00 0.00 ls3 ATOM 236 N GLN 17 5.644 10.856 8.140 1.00 0.00 ls3 ATOM 237 HN GLN 17 5.205 9.997 8.311 1.00 0.00 ls3 ATOM 238 CA GLN 17 6.310 11.104 6.830 1.00 0.00 ls3 ATOM 239 HA GLN 17 7.187 11.716 6.982 1.00 0.00 ls3 ATOM 240 CB GLN 17 6.722 9.767 6.210 1.00 0.00 ls3 ATOM 241 HB1 GLN 17 6.305 8.958 6.790 1.00 0.00 ls3 ATOM 242 HB2 GLN 17 6.351 9.712 5.197 1.00 0.00 ls3 ATOM 243 CG GLN 17 8.247 9.657 6.203 1.00 0.00 ls3 ATOM 244 HG1 GLN 17 8.611 9.633 7.219 1.00 0.00 ls3 ATOM 245 HG2 GLN 17 8.540 8.751 5.693 1.00 0.00 ls3 ATOM 246 CD GLN 17 8.841 10.866 5.477 1.00 0.00 ls3 ATOM 247 OE1 GLN 17 8.612 11.054 4.298 1.00 0.00 ls3 ATOM 248 NE2 GLN 17 9.598 11.700 6.135 1.00 0.00 ls3 ATOM 249 HE21 GLN 17 9.782 11.549 7.086 1.00 0.00 ls3 ATOM 250 HE22 GLN 17 9.984 12.477 5.679 1.00 0.00 ls3 ATOM 251 C GLN 17 5.341 11.823 5.891 1.00 0.00 ls3 ATOM 252 O GLN 17 4.334 12.358 6.312 1.00 0.00 ls3 ATOM 253 N GLU 18 5.634 11.838 4.620 1.00 0.00 ls3 ATOM 254 HN GLU 18 6.451 11.401 4.300 1.00 0.00 ls3 ATOM 255 CA GLU 18 4.727 12.521 3.655 1.00 0.00 ls3 ATOM 256 HA GLU 18 3.768 12.687 4.122 1.00 0.00 ls3 ATOM 257 CB GLU 18 5.333 13.866 3.244 1.00 0.00 ls3 ATOM 258 HB1 GLU 18 4.585 14.456 2.736 1.00 0.00 ls3 ATOM 259 HB2 GLU 18 5.669 14.393 4.125 1.00 0.00 ls3 ATOM 260 CG GLU 18 6.519 13.631 2.307 1.00 0.00 ls3 ATOM 261 HG1 GLU 18 7.317 13.146 2.850 1.00 0.00 ls3 ATOM 262 HG2 GLU 18 6.210 13.004 1.484 1.00 0.00 ls3 ATOM 263 CD GLU 18 7.014 14.975 1.766 1.00 0.00 ls3 ATOM 264 OE1 GLU 18 7.409 15.018 0.613 1.00 0.00 ls3 ATOM 265 OE2 GLU 18 6.988 15.937 2.515 1.00 0.00 ls3 ATOM 266 C GLU 18 4.544 11.641 2.416 1.00 0.00 ls3 ATOM 267 O GLU 18 3.902 12.027 1.460 1.00 0.00 ls3 ATOM 268 N ILE 19 5.099 10.458 2.425 1.00 0.00 ls3 ATOM 269 HN ILE 19 5.612 10.160 3.204 1.00 0.00 ls3 ATOM 270 CA ILE 19 4.953 9.557 1.254 1.00 0.00 ls3 ATOM 271 HA ILE 19 4.624 10.116 0.391 1.00 0.00 ls3 ATOM 272 CB ILE 19 6.292 8.891 0.953 1.00 0.00 ls3 ATOM 273 HB ILE 19 6.458 8.110 1.681 1.00 0.00 ls3 ATOM 274 CG1 ILE 19 7.421 9.943 1.065 1.00 0.00 ls3 ATOM 275 HG11 ILE 19 7.020 10.849 1.491 1.00 0.00 ls3 ATOM 276 HG12 ILE 19 8.193 9.562 1.713 1.00 0.00 ls3 ATOM 277 CG2 ILE 19 6.249 8.262 -0.447 1.00 0.00 ls3 ATOM 278 HG21 ILE 19 5.969 9.013 -1.170 1.00 0.00 ls3 ATOM 279 HG22 ILE 19 7.225 7.869 -0.695 1.00 0.00 ls3 ATOM 280 HG23 ILE 19 5.524 7.461 -0.460 1.00 0.00 ls3 ATOM 281 CD1 ILE 19 8.029 10.264 -0.308 1.00 0.00 ls3 ATOM 282 HD11 ILE 19 7.245 10.563 -0.988 1.00 0.00 ls3 ATOM 283 HD12 ILE 19 8.743 11.069 -0.206 1.00 0.00 ls3 ATOM 284 HD13 ILE 19 8.527 9.388 -0.695 1.00 0.00 ls3 ATOM 285 C ILE 19 3.928 8.483 1.577 1.00 0.00 ls3 ATOM 286 O ILE 19 3.651 8.190 2.723 1.00 0.00 ls3 ATOM 287 N CYS 20 3.374 7.887 0.572 1.00 0.00 ls3 ATOM 288 HN CYS 20 3.629 8.141 -0.342 1.00 0.00 ls3 ATOM 289 CA CYS 20 2.372 6.815 0.805 1.00 0.00 ls3 ATOM 290 HA CYS 20 2.265 6.651 1.866 1.00 0.00 ls3 ATOM 291 HB1 CYS 20 1.049 7.112 -0.863 1.00 0.00 ls3 ATOM 292 HB2 CYS 20 0.826 8.266 0.450 1.00 0.00 ls3 ATOM 293 C CYS 20 2.867 5.535 0.135 1.00 0.00 ls3 ATOM 294 O CYS 20 2.953 5.447 -1.070 1.00 0.00 ls3 ATOM 295 CB CYS 20 1.021 7.231 0.210 1.00 0.00 ls3 ATOM 296 SG CYS 20 -0.298 6.194 0.898 1.00 0.00 ls3 ATOM 297 N TYR 21 3.199 4.535 0.895 1.00 0.00 ls3 ATOM 298 HN TYR 21 3.128 4.606 1.871 1.00 0.00 ls3 ATOM 299 CA TYR 21 3.688 3.286 0.250 1.00 0.00 ls3 ATOM 300 HA TYR 21 4.042 3.522 -0.745 1.00 0.00 ls3 ATOM 301 CB TYR 21 4.838 2.666 1.059 1.00 0.00 ls3 ATOM 302 HB1 TYR 21 5.475 3.455 1.428 1.00 0.00 ls3 ATOM 303 HB2 TYR 21 5.415 2.020 0.415 1.00 0.00 ls3 ATOM 304 CG TYR 21 4.316 1.858 2.229 1.00 0.00 ls3 ATOM 305 CD1 TYR 21 5.037 0.741 2.671 1.00 0.00 ls3 ATOM 306 HD1 TYR 21 5.954 0.461 2.176 1.00 0.00 ls3 ATOM 307 CD2 TYR 21 3.124 2.219 2.875 1.00 0.00 ls3 ATOM 308 HD2 TYR 21 2.566 3.075 2.540 1.00 0.00 ls3 ATOM 309 CE1 TYR 21 4.568 -0.015 3.753 1.00 0.00 ls3 ATOM 310 HE1 TYR 21 5.126 -0.874 4.092 1.00 0.00 ls3 ATOM 311 CE2 TYR 21 2.656 1.462 3.957 1.00 0.00 ls3 ATOM 312 HE2 TYR 21 1.738 1.740 4.453 1.00 0.00 ls3 ATOM 313 CZ TYR 21 3.378 0.346 4.396 1.00 0.00 ls3 ATOM 314 OH TYR 21 2.918 -0.397 5.463 1.00 0.00 ls3 ATOM 315 HH TYR 21 3.414 -0.136 6.243 1.00 0.00 ls3 ATOM 316 C TYR 21 2.527 2.312 0.138 1.00 0.00 ls3 ATOM 317 O TYR 21 1.547 2.417 0.848 1.00 0.00 ls3 ATOM 318 N VAL 22 2.604 1.381 -0.760 1.00 0.00 ls3 ATOM 319 HN VAL 22 3.392 1.315 -1.344 1.00 0.00 ls3 ATOM 320 CA VAL 22 1.472 0.435 -0.907 1.00 0.00 ls3 ATOM 321 HA VAL 22 0.725 0.661 -0.161 1.00 0.00 ls3 ATOM 322 CB VAL 22 0.859 0.600 -2.299 1.00 0.00 ls3 ATOM 323 HB VAL 22 -0.062 0.041 -2.356 1.00 0.00 ls3 ATOM 324 CG1 VAL 22 0.573 2.086 -2.562 1.00 0.00 ls3 ATOM 325 HG11 VAL 22 0.170 2.205 -3.556 1.00 0.00 ls3 ATOM 326 HG12 VAL 22 1.489 2.653 -2.477 1.00 0.00 ls3 ATOM 327 HG13 VAL 22 -0.143 2.451 -1.840 1.00 0.00 ls3 ATOM 328 CG2 VAL 22 1.835 0.079 -3.349 1.00 0.00 ls3 ATOM 329 HG21 VAL 22 1.529 -0.907 -3.665 1.00 0.00 ls3 ATOM 330 HG22 VAL 22 2.826 0.030 -2.924 1.00 0.00 ls3 ATOM 331 HG23 VAL 22 1.838 0.745 -4.198 1.00 0.00 ls3 ATOM 332 C VAL 22 1.965 -0.998 -0.707 1.00 0.00 ls3 ATOM 333 O VAL 22 2.650 -1.556 -1.542 1.00 0.00 ls3 ATOM 334 N LYS 23 1.613 -1.602 0.397 1.00 0.00 ls3 ATOM 335 HN LYS 23 1.052 -1.135 1.056 1.00 0.00 ls3 ATOM 336 CA LYS 23 2.051 -3.000 0.655 1.00 0.00 ls3 ATOM 337 HA LYS 23 2.879 -3.248 0.007 1.00 0.00 ls3 ATOM 338 CB LYS 23 2.477 -3.145 2.117 1.00 0.00 ls3 ATOM 339 HB1 LYS 23 2.223 -2.245 2.657 1.00 0.00 ls3 ATOM 340 HB2 LYS 23 1.964 -3.987 2.560 1.00 0.00 ls3 ATOM 341 CG LYS 23 3.988 -3.374 2.190 1.00 0.00 ls3 ATOM 342 HG1 LYS 23 4.343 -3.738 1.237 1.00 0.00 ls3 ATOM 343 HG2 LYS 23 4.482 -2.443 2.426 1.00 0.00 ls3 ATOM 344 CD LYS 23 4.298 -4.406 3.277 1.00 0.00 ls3 ATOM 345 HD1 LYS 23 3.431 -5.029 3.439 1.00 0.00 ls3 ATOM 346 HD2 LYS 23 5.129 -5.020 2.963 1.00 0.00 ls3 ATOM 347 CE LYS 23 4.660 -3.686 4.578 1.00 0.00 ls3 ATOM 348 HE1 LYS 23 5.394 -4.266 5.117 1.00 0.00 ls3 ATOM 349 HE2 LYS 23 5.068 -2.714 4.349 1.00 0.00 ls3 ATOM 350 NZ LYS 23 3.439 -3.528 5.417 1.00 0.00 ls3 ATOM 351 HZ1 LYS 23 2.621 -3.936 4.922 1.00 0.00 ls3 ATOM 352 HZ2 LYS 23 3.577 -4.018 6.325 1.00 0.00 ls3 ATOM 353 HZ3 LYS 23 3.266 -2.517 5.591 1.00 0.00 ls3 ATOM 354 C LYS 23 0.879 -3.931 0.367 1.00 0.00 ls3 ATOM 355 O LYS 23 -0.185 -3.797 0.940 1.00 0.00 ls3 ATOM 356 N SER 24 1.048 -4.862 -0.527 1.00 0.00 ls3 ATOM 357 HN SER 24 1.904 -4.951 -0.991 1.00 0.00 ls3 ATOM 358 CA SER 24 -0.078 -5.772 -0.848 1.00 0.00 ls3 ATOM 359 HA SER 24 -0.850 -5.650 -0.106 1.00 0.00 ls3 ATOM 360 CB SER 24 -0.644 -5.414 -2.223 1.00 0.00 ls3 ATOM 361 HB1 SER 24 -0.139 -4.538 -2.603 1.00 0.00 ls3 ATOM 362 HB2 SER 24 -0.492 -6.240 -2.901 1.00 0.00 ls3 ATOM 363 OG SER 24 -2.033 -5.145 -2.107 1.00 0.00 ls3 ATOM 364 HG SER 24 -2.138 -4.343 -1.591 1.00 0.00 ls3 ATOM 365 C SER 24 0.391 -7.229 -0.859 1.00 0.00 ls3 ATOM 366 O SER 24 1.226 -7.617 -1.653 1.00 0.00 ls3 ATOM 367 N TRP 25 -0.146 -8.041 0.012 1.00 0.00 ls3 ATOM 368 HN TRP 25 -0.819 -7.706 0.648 1.00 0.00 ls3 ATOM 369 CA TRP 25 0.264 -9.476 0.040 1.00 0.00 ls3 ATOM 370 HA TRP 25 0.584 -9.779 -0.946 1.00 0.00 ls3 ATOM 371 CB TRP 25 1.413 -9.650 1.025 1.00 0.00 ls3 ATOM 372 HB1 TRP 25 1.802 -10.650 0.964 1.00 0.00 ls3 ATOM 373 HB2 TRP 25 2.193 -8.936 0.796 1.00 0.00 ls3 ATOM 374 CG TRP 25 0.906 -9.392 2.394 1.00 0.00 ls3 ATOM 375 CD1 TRP 25 0.678 -10.317 3.351 1.00 0.00 ls3 ATOM 376 HD1 TRP 25 0.838 -11.378 3.249 1.00 0.00 ls3 ATOM 377 CD2 TRP 25 0.546 -8.120 2.955 1.00 0.00 ls3 ATOM 378 NE1 TRP 25 0.211 -9.672 4.486 1.00 0.00 ls3 ATOM 379 HE1 TRP 25 -0.026 -10.108 5.330 1.00 0.00 ls3 ATOM 380 CE2 TRP 25 0.112 -8.307 4.284 1.00 0.00 ls3 ATOM 381 CE3 TRP 25 0.566 -6.831 2.427 1.00 0.00 ls3 ATOM 382 HE3 TRP 25 0.894 -6.672 1.411 1.00 0.00 ls3 ATOM 383 CZ2 TRP 25 -0.294 -7.226 5.070 1.00 0.00 ls3 ATOM 384 HZ2 TRP 25 -0.624 -7.382 6.086 1.00 0.00 ls3 ATOM 385 CZ3 TRP 25 0.163 -5.749 3.196 1.00 0.00 ls3 ATOM 386 HZ3 TRP 25 0.183 -4.775 2.761 1.00 0.00 ls3 ATOM 387 CH2 TRP 25 -0.269 -5.935 4.521 1.00 0.00 ls3 ATOM 388 HH2 TRP 25 -0.582 -5.088 5.114 1.00 0.00 ls3 ATOM 389 C TRP 25 -0.915 -10.345 0.488 1.00 0.00 ls3 ATOM 390 O TRP 25 -1.485 -10.140 1.540 1.00 0.00 ls3 ATOM 391 N CYS 26 -1.276 -11.322 -0.298 1.00 0.00 ls3 ATOM 392 HN CYS 26 -0.796 -11.475 -1.139 1.00 0.00 ls3 ATOM 393 CA CYS 26 -2.408 -12.213 0.085 1.00 0.00 ls3 ATOM 394 HA CYS 26 -3.059 -11.708 0.786 1.00 0.00 ls3 ATOM 395 HB1 CYS 26 -2.731 -12.166 -2.036 1.00 0.00 ls3 ATOM 396 HB2 CYS 26 -3.219 -13.673 -1.260 1.00 0.00 ls3 ATOM 397 C CYS 26 -1.850 -13.481 0.729 1.00 0.00 ls3 ATOM 398 O CYS 26 -0.693 -13.550 1.094 1.00 0.00 ls3 ATOM 399 CB CYS 26 -3.200 -12.597 -1.165 1.00 0.00 ls3 ATOM 400 SG CYS 26 -4.894 -11.983 -1.027 1.00 0.00 ls3 ATOM 401 N ASN 27 -2.664 -14.486 0.858 1.00 0.00 ls3 ATOM 402 HN ASN 27 -3.590 -14.405 0.548 1.00 0.00 ls3 ATOM 403 CA ASN 27 -2.190 -15.761 1.465 1.00 0.00 ls3 ATOM 404 HA ASN 27 -1.190 -15.629 1.853 1.00 0.00 ls3 ATOM 405 CB ASN 27 -3.133 -16.166 2.599 1.00 0.00 ls3 ATOM 406 HB1 ASN 27 -4.034 -15.573 2.545 1.00 0.00 ls3 ATOM 407 HB2 ASN 27 -3.384 -17.212 2.501 1.00 0.00 ls3 ATOM 408 CG ASN 27 -2.447 -15.930 3.946 1.00 0.00 ls3 ATOM 409 OD1 ASN 27 -1.902 -16.844 4.532 1.00 0.00 ls3 ATOM 410 ND2 ASN 27 -2.452 -14.733 4.467 1.00 0.00 ls3 ATOM 411 HD21 ASN 27 -2.893 -13.996 3.996 1.00 0.00 ls3 ATOM 412 HD22 ASN 27 -2.014 -14.572 5.329 1.00 0.00 ls3 ATOM 413 C ASN 27 -2.187 -16.853 0.394 1.00 0.00 ls3 ATOM 414 O ASN 27 -1.998 -18.018 0.680 1.00 0.00 ls3 ATOM 415 N ALA 28 -2.412 -16.477 -0.839 1.00 0.00 ls3 ATOM 416 HN ALA 28 -2.572 -15.532 -1.035 1.00 0.00 ls3 ATOM 417 CA ALA 28 -2.440 -17.472 -1.950 1.00 0.00 ls3 ATOM 418 HA ALA 28 -2.319 -16.957 -2.874 1.00 0.00 ls3 ATOM 419 CB ALA 28 -1.303 -18.485 -1.781 1.00 0.00 ls3 ATOM 420 HB1 ALA 28 -0.682 -18.475 -2.664 1.00 0.00 ls3 ATOM 421 HB2 ALA 28 -1.714 -19.472 -1.644 1.00 0.00 ls3 ATOM 422 HB3 ALA 28 -0.706 -18.219 -0.922 1.00 0.00 ls3 ATOM 423 C ALA 28 -3.789 -18.183 -1.971 1.00 0.00 ls3 ATOM 424 O ALA 28 -4.103 -18.924 -2.882 1.00 0.00 ls3 ATOM 425 N TRP 29 -4.586 -17.959 -0.973 1.00 0.00 ls3 ATOM 426 HN TRP 29 -4.308 -17.366 -0.261 1.00 0.00 ls3 ATOM 427 CA TRP 29 -5.917 -18.604 -0.910 1.00 0.00 ls3 ATOM 428 HA TRP 29 -6.212 -18.933 -1.891 1.00 0.00 ls3 ATOM 429 CB TRP 29 -5.847 -19.803 0.018 1.00 0.00 ls3 ATOM 430 HB1 TRP 29 -5.594 -19.488 1.003 1.00 0.00 ls3 ATOM 431 HB2 TRP 29 -6.805 -20.285 0.037 1.00 0.00 ls3 ATOM 432 CG TRP 29 -4.821 -20.762 -0.477 1.00 0.00 ls3 ATOM 433 CD1 TRP 29 -3.491 -20.535 -0.574 1.00 0.00 ls3 ATOM 434 HD1 TRP 29 -2.987 -19.612 -0.312 1.00 0.00 ls3 ATOM 435 CD2 TRP 29 -5.041 -22.106 -0.940 1.00 0.00 ls3 ATOM 436 NE1 TRP 29 -2.884 -21.673 -1.081 1.00 0.00 ls3 ATOM 437 HE1 TRP 29 -1.925 -21.776 -1.251 1.00 0.00 ls3 ATOM 438 CE2 TRP 29 -3.807 -22.674 -1.320 1.00 0.00 ls3 ATOM 439 CE3 TRP 29 -6.199 -22.867 -1.060 1.00 0.00 ls3 ATOM 440 HE3 TRP 29 -7.143 -22.428 -0.766 1.00 0.00 ls3 ATOM 441 CZ2 TRP 29 -3.731 -23.979 -1.812 1.00 0.00 ls3 ATOM 442 HZ2 TRP 29 -2.779 -24.399 -2.100 1.00 0.00 ls3 ATOM 443 CZ3 TRP 29 -6.140 -24.182 -1.553 1.00 0.00 ls3 ATOM 444 HZ3 TRP 29 -7.044 -24.765 -1.643 1.00 0.00 ls3 ATOM 445 CH2 TRP 29 -4.905 -24.737 -1.930 1.00 0.00 ls3 ATOM 446 HH2 TRP 29 -4.859 -25.748 -2.308 1.00 0.00 ls3 ATOM 447 C TRP 29 -6.941 -17.601 -0.372 1.00 0.00 ls3 ATOM 448 O TRP 29 -7.966 -17.976 0.162 1.00 0.00 ls3 ATOM 449 N CYS 30 -6.664 -16.326 -0.501 1.00 0.00 ls3 ATOM 450 HN CYS 30 -5.831 -16.050 -0.932 1.00 0.00 ls3 ATOM 451 CA CYS 30 -7.614 -15.285 -0.003 1.00 0.00 ls3 ATOM 452 HA CYS 30 -7.967 -15.567 0.979 1.00 0.00 ls3 ATOM 453 HB1 CYS 30 -7.624 -13.168 0.276 1.00 0.00 ls3 ATOM 454 HB2 CYS 30 -6.190 -13.975 0.905 1.00 0.00 ls3 ATOM 455 C CYS 30 -8.814 -15.130 -0.942 1.00 0.00 ls3 ATOM 456 O CYS 30 -9.320 -14.042 -1.112 1.00 0.00 ls3 ATOM 457 CB CYS 30 -6.898 -13.944 0.094 1.00 0.00 ls3 ATOM 458 SG CYS 30 -6.030 -13.598 -1.454 1.00 0.00 ls3 ATOM 459 N SER 31 -9.271 -16.184 -1.557 1.00 0.00 ls3 ATOM 460 HN SER 31 -8.854 -17.046 -1.418 1.00 0.00 ls3 ATOM 461 CA SER 31 -10.437 -16.060 -2.478 1.00 0.00 ls3 ATOM 462 HA SER 31 -10.128 -15.567 -3.389 1.00 0.00 ls3 ATOM 463 CB SER 31 -10.979 -17.453 -2.805 1.00 0.00 ls3 ATOM 464 HB1 SER 31 -10.342 -17.926 -3.539 1.00 0.00 ls3 ATOM 465 HB2 SER 31 -10.998 -18.052 -1.907 1.00 0.00 ls3 ATOM 466 OG SER 31 -12.296 -17.338 -3.326 1.00 0.00 ls3 ATOM 467 HG SER 31 -12.467 -18.108 -3.873 1.00 0.00 ls3 ATOM 468 C SER 31 -11.527 -15.236 -1.793 1.00 0.00 ls3 ATOM 469 O SER 31 -12.354 -15.763 -1.076 1.00 0.00 ls3 ATOM 470 N SER 32 -11.521 -13.947 -2.002 1.00 0.00 ls3 ATOM 471 HN SER 32 -10.834 -13.552 -2.578 1.00 0.00 ls3 ATOM 472 CA SER 32 -12.537 -13.066 -1.359 1.00 0.00 ls3 ATOM 473 HA SER 32 -12.151 -12.059 -1.311 1.00 0.00 ls3 ATOM 474 CB SER 32 -13.826 -13.077 -2.161 1.00 0.00 ls3 ATOM 475 HB1 SER 32 -14.570 -13.638 -1.618 1.00 0.00 ls3 ATOM 476 HB2 SER 32 -14.164 -12.062 -2.294 1.00 0.00 ls3 ATOM 477 OG SER 32 -13.600 -13.678 -3.427 1.00 0.00 ls3 ATOM 478 HG SER 32 -12.822 -13.271 -3.815 1.00 0.00 ls3 ATOM 479 C SER 32 -12.826 -13.548 0.055 1.00 0.00 ls3 ATOM 480 O SER 32 -13.811 -14.211 0.317 1.00 0.00 ls3 ATOM 481 N ARG 33 -11.973 -13.209 0.962 1.00 0.00 ls3 ATOM 482 HN ARG 33 -11.198 -12.669 0.708 1.00 0.00 ls3 ATOM 483 CA ARG 33 -12.178 -13.630 2.377 1.00 0.00 ls3 ATOM 484 HA ARG 33 -13.227 -13.827 2.542 1.00 0.00 ls3 ATOM 485 CB ARG 33 -11.374 -14.899 2.659 1.00 0.00 ls3 ATOM 486 HB1 ARG 33 -11.173 -15.413 1.730 1.00 0.00 ls3 ATOM 487 HB2 ARG 33 -10.441 -14.638 3.134 1.00 0.00 ls3 ATOM 488 CG ARG 33 -12.180 -15.812 3.583 1.00 0.00 ls3 ATOM 489 HG1 ARG 33 -13.185 -15.913 3.202 1.00 0.00 ls3 ATOM 490 HG2 ARG 33 -11.712 -16.784 3.627 1.00 0.00 ls3 ATOM 491 CD ARG 33 -12.225 -15.203 4.987 1.00 0.00 ls3 ATOM 492 HD1 ARG 33 -11.285 -14.715 5.198 1.00 0.00 ls3 ATOM 493 HD2 ARG 33 -13.026 -14.481 5.041 1.00 0.00 ls3 ATOM 494 NE ARG 33 -12.460 -16.282 5.986 1.00 0.00 ls3 ATOM 495 HE ARG 33 -13.107 -16.148 6.710 1.00 0.00 ls3 ATOM 496 CZ ARG 33 -11.806 -17.408 5.895 1.00 0.00 ls3 ATOM 497 NH1 ARG 33 -10.522 -17.400 5.662 1.00 0.00 ls3 ATOM 498 HH11 ARG 33 -10.038 -16.531 5.552 1.00 0.00 ls3 ATOM 499 HH12 ARG 33 -10.021 -18.263 5.593 1.00 0.00 ls3 ATOM 500 NH2 ARG 33 -12.437 -18.541 6.035 1.00 0.00 ls3 ATOM 501 HH21 ARG 33 -13.422 -18.546 6.211 1.00 0.00 ls3 ATOM 502 HH22 ARG 33 -11.937 -19.404 5.966 1.00 0.00 ls3 ATOM 503 C ARG 33 -11.721 -12.512 3.317 1.00 0.00 ls3 ATOM 504 O ARG 33 -12.525 -11.819 3.908 1.00 0.00 ls3 ATOM 505 N GLY 34 -10.436 -12.333 3.461 1.00 0.00 ls3 ATOM 506 HN GLY 34 -9.804 -12.904 2.974 1.00 0.00 ls3 ATOM 507 CA GLY 34 -9.925 -11.262 4.363 1.00 0.00 ls3 ATOM 508 HA1 GLY 34 -10.543 -10.383 4.265 1.00 0.00 ls3 ATOM 509 HA2 GLY 34 -9.950 -11.610 5.386 1.00 0.00 ls3 ATOM 510 C GLY 34 -8.486 -10.916 3.974 1.00 0.00 ls3 ATOM 511 O GLY 34 -7.585 -10.950 4.788 1.00 0.00 ls3 ATOM 512 N LYS 35 -8.268 -10.586 2.731 1.00 0.00 ls3 ATOM 513 HN LYS 35 -9.013 -10.569 2.095 1.00 0.00 ls3 ATOM 514 CA LYS 35 -6.893 -10.238 2.272 1.00 0.00 ls3 ATOM 515 HA LYS 35 -6.302 -11.139 2.172 1.00 0.00 ls3 ATOM 516 CB LYS 35 -6.975 -9.533 0.915 1.00 0.00 ls3 ATOM 517 HB1 LYS 35 -7.505 -8.599 1.029 1.00 0.00 ls3 ATOM 518 HB2 LYS 35 -5.978 -9.337 0.550 1.00 0.00 ls3 ATOM 519 CG LYS 35 -7.718 -10.420 -0.087 1.00 0.00 ls3 ATOM 520 HG1 LYS 35 -7.178 -11.345 -0.219 1.00 0.00 ls3 ATOM 521 HG2 LYS 35 -8.710 -10.630 0.281 1.00 0.00 ls3 ATOM 522 CD LYS 35 -7.818 -9.690 -1.427 1.00 0.00 ls3 ATOM 523 HD1 LYS 35 -8.741 -9.131 -1.463 1.00 0.00 ls3 ATOM 524 HD2 LYS 35 -6.983 -9.013 -1.530 1.00 0.00 ls3 ATOM 525 CE LYS 35 -7.793 -10.706 -2.569 1.00 0.00 ls3 ATOM 526 HE1 LYS 35 -6.848 -11.230 -2.566 1.00 0.00 ls3 ATOM 527 HE2 LYS 35 -8.598 -11.415 -2.440 1.00 0.00 ls3 ATOM 528 NZ LYS 35 -7.963 -9.992 -3.865 1.00 0.00 ls3 ATOM 529 HZ1 LYS 35 -7.210 -10.277 -4.521 1.00 0.00 ls3 ATOM 530 HZ2 LYS 35 -8.890 -10.232 -4.273 1.00 0.00 ls3 ATOM 531 HZ3 LYS 35 -7.910 -8.966 -3.704 1.00 0.00 ls3 ATOM 532 C LYS 35 -6.227 -9.301 3.285 1.00 0.00 ls3 ATOM 533 O LYS 35 -6.860 -8.785 4.184 1.00 0.00 ls3 ATOM 534 N VAL 36 -4.952 -9.075 3.131 1.00 0.00 ls3 ATOM 535 HN VAL 36 -4.469 -9.501 2.392 1.00 0.00 ls3 ATOM 536 CA VAL 36 -4.218 -8.168 4.059 1.00 0.00 ls3 ATOM 537 HA VAL 36 -4.919 -7.636 4.687 1.00 0.00 ls3 ATOM 538 CB VAL 36 -3.244 -8.981 4.925 1.00 0.00 ls3 ATOM 539 HB VAL 36 -2.247 -8.883 4.522 1.00 0.00 ls3 ATOM 540 CG1 VAL 36 -3.267 -8.453 6.361 1.00 0.00 ls3 ATOM 541 HG11 VAL 36 -2.797 -7.481 6.395 1.00 0.00 ls3 ATOM 542 HG12 VAL 36 -2.730 -9.135 7.004 1.00 0.00 ls3 ATOM 543 HG13 VAL 36 -4.289 -8.371 6.697 1.00 0.00 ls3 ATOM 544 CG2 VAL 36 -3.652 -10.457 4.924 1.00 0.00 ls3 ATOM 545 HG21 VAL 36 -4.584 -10.573 5.455 1.00 0.00 ls3 ATOM 546 HG22 VAL 36 -2.885 -11.043 5.409 1.00 0.00 ls3 ATOM 547 HG23 VAL 36 -3.773 -10.795 3.905 1.00 0.00 ls3 ATOM 548 C VAL 36 -3.427 -7.179 3.207 1.00 0.00 ls3 ATOM 549 O VAL 36 -2.228 -7.051 3.337 1.00 0.00 ls3 ATOM 550 N LEU 37 -4.087 -6.517 2.300 1.00 0.00 ls3 ATOM 551 HN LEU 37 -5.045 -6.665 2.185 1.00 0.00 ls3 ATOM 552 CA LEU 37 -3.386 -5.578 1.394 1.00 0.00 ls3 ATOM 553 HA LEU 37 -2.320 -5.686 1.501 1.00 0.00 ls3 ATOM 554 CB LEU 37 -3.799 -5.939 -0.027 1.00 0.00 ls3 ATOM 555 HB1 LEU 37 -4.860 -6.135 -0.044 1.00 0.00 ls3 ATOM 556 HB2 LEU 37 -3.579 -5.118 -0.682 1.00 0.00 ls3 ATOM 557 CG LEU 37 -3.052 -7.191 -0.495 1.00 0.00 ls3 ATOM 558 HG LEU 37 -2.010 -6.969 -0.599 1.00 0.00 ls3 ATOM 559 CD1 LEU 37 -3.233 -8.316 0.530 1.00 0.00 ls3 ATOM 560 HD11 LEU 37 -2.503 -8.205 1.319 1.00 0.00 ls3 ATOM 561 HD12 LEU 37 -3.095 -9.271 0.045 1.00 0.00 ls3 ATOM 562 HD13 LEU 37 -4.226 -8.265 0.951 1.00 0.00 ls3 ATOM 563 CD2 LEU 37 -3.604 -7.636 -1.848 1.00 0.00 ls3 ATOM 564 HD21 LEU 37 -3.270 -6.951 -2.614 1.00 0.00 ls3 ATOM 565 HD22 LEU 37 -4.683 -7.639 -1.813 1.00 0.00 ls3 ATOM 566 HD23 LEU 37 -3.246 -8.629 -2.073 1.00 0.00 ls3 ATOM 567 C LEU 37 -3.801 -4.128 1.682 1.00 0.00 ls3 ATOM 568 O LEU 37 -4.890 -3.713 1.340 1.00 0.00 ls3 ATOM 569 N GLU 38 -2.943 -3.349 2.291 1.00 0.00 ls3 ATOM 570 HN GLU 38 -2.064 -3.694 2.550 1.00 0.00 ls3 ATOM 571 CA GLU 38 -3.302 -1.925 2.569 1.00 0.00 ls3 ATOM 572 HA GLU 38 -4.116 -1.632 1.922 1.00 0.00 ls3 ATOM 573 CB GLU 38 -3.740 -1.771 4.026 1.00 0.00 ls3 ATOM 574 HB1 GLU 38 -3.756 -0.722 4.287 1.00 0.00 ls3 ATOM 575 HB2 GLU 38 -4.730 -2.186 4.148 1.00 0.00 ls3 ATOM 576 CG GLU 38 -2.760 -2.509 4.939 1.00 0.00 ls3 ATOM 577 HG1 GLU 38 -3.312 -3.070 5.679 1.00 0.00 ls3 ATOM 578 HG2 GLU 38 -2.157 -3.185 4.351 1.00 0.00 ls3 ATOM 579 CD GLU 38 -1.854 -1.495 5.641 1.00 0.00 ls3 ATOM 580 OE1 GLU 38 -1.592 -1.679 6.817 1.00 0.00 ls3 ATOM 581 OE2 GLU 38 -1.438 -0.551 4.988 1.00 0.00 ls3 ATOM 582 C GLU 38 -2.094 -1.019 2.298 1.00 0.00 ls3 ATOM 583 O GLU 38 -0.960 -1.464 2.283 1.00 0.00 ls3 ATOM 584 N PHE 39 -2.327 0.253 2.095 1.00 0.00 ls3 ATOM 585 HN PHE 39 -3.241 0.596 2.120 1.00 0.00 ls3 ATOM 586 CA PHE 39 -1.202 1.187 1.838 1.00 0.00 ls3 ATOM 587 HA PHE 39 -0.284 0.631 1.809 1.00 0.00 ls3 ATOM 588 CB PHE 39 -1.428 1.885 0.495 1.00 0.00 ls3 ATOM 589 HB1 PHE 39 -2.233 2.600 0.590 1.00 0.00 ls3 ATOM 590 HB2 PHE 39 -0.525 2.396 0.196 1.00 0.00 ls3 ATOM 591 CG PHE 39 -1.794 0.848 -0.545 1.00 0.00 ls3 ATOM 592 CD1 PHE 39 -2.634 1.186 -1.615 1.00 0.00 ls3 ATOM 593 HD1 PHE 39 -3.020 2.191 -1.703 1.00 0.00 ls3 ATOM 594 CD2 PHE 39 -1.296 -0.457 -0.435 1.00 0.00 ls3 ATOM 595 HD2 PHE 39 -0.646 -0.717 0.385 1.00 0.00 ls3 ATOM 596 CE1 PHE 39 -2.974 0.218 -2.571 1.00 0.00 ls3 ATOM 597 HE1 PHE 39 -3.622 0.478 -3.396 1.00 0.00 ls3 ATOM 598 CE2 PHE 39 -1.635 -1.424 -1.390 1.00 0.00 ls3 ATOM 599 HE2 PHE 39 -1.251 -2.429 -1.302 1.00 0.00 ls3 ATOM 600 CZ PHE 39 -2.475 -1.087 -2.458 1.00 0.00 ls3 ATOM 601 HZ PHE 39 -2.739 -1.834 -3.194 1.00 0.00 ls3 ATOM 602 C PHE 39 -1.150 2.209 2.978 1.00 0.00 ls3 ATOM 603 O PHE 39 -2.156 2.502 3.593 1.00 0.00 ls3 ATOM 604 N GLY 40 0.004 2.745 3.290 1.00 0.00 ls3 ATOM 605 HN GLY 40 0.815 2.497 2.801 1.00 0.00 ls3 ATOM 606 CA GLY 40 0.071 3.722 4.414 1.00 0.00 ls3 ATOM 607 HA1 GLY 40 -0.898 4.178 4.543 1.00 0.00 ls3 ATOM 608 HA2 GLY 40 0.345 3.205 5.322 1.00 0.00 ls3 ATOM 609 C GLY 40 1.098 4.818 4.129 1.00 0.00 ls3 ATOM 610 O GLY 40 1.185 5.335 3.035 1.00 0.00 ls3 ATOM 611 N CYS 41 1.864 5.190 5.123 1.00 0.00 ls3 ATOM 612 HN CYS 41 1.768 4.771 5.996 1.00 0.00 ls3 ATOM 613 CA CYS 41 2.862 6.269 4.943 1.00 0.00 ls3 ATOM 614 HA CYS 41 2.568 6.906 4.124 1.00 0.00 ls3 ATOM 615 HB1 CYS 41 3.544 6.574 6.956 1.00 0.00 ls3 ATOM 616 HB2 CYS 41 1.934 7.212 6.634 1.00 0.00 ls3 ATOM 617 C CYS 41 4.235 5.669 4.667 1.00 0.00 ls3 ATOM 618 O CYS 41 4.452 4.479 4.788 1.00 0.00 ls3 ATOM 619 CB CYS 41 2.929 7.092 6.234 1.00 0.00 ls3 ATOM 620 SG CYS 41 3.643 8.720 5.897 1.00 0.00 ls3 ATOM 621 N ALA 42 5.155 6.500 4.294 1.00 0.00 ls3 ATOM 622 HN ALA 42 4.935 7.444 4.209 1.00 0.00 ls3 ATOM 623 CA ALA 42 6.532 6.029 3.996 1.00 0.00 ls3 ATOM 624 HA ALA 42 6.938 5.522 4.858 1.00 0.00 ls3 ATOM 625 CB ALA 42 6.496 5.064 2.812 1.00 0.00 ls3 ATOM 626 HB1 ALA 42 5.844 4.236 3.046 1.00 0.00 ls3 ATOM 627 HB2 ALA 42 7.492 4.694 2.618 1.00 0.00 ls3 ATOM 628 HB3 ALA 42 6.127 5.579 1.937 1.00 0.00 ls3 ATOM 629 C ALA 42 7.415 7.228 3.657 1.00 0.00 ls3 ATOM 630 O ALA 42 6.989 8.366 3.699 1.00 0.00 ls3 ATOM 631 N ALA 43 8.647 6.974 3.332 1.00 0.00 ls3 ATOM 632 HN ALA 43 8.956 6.055 3.318 1.00 0.00 ls3 ATOM 633 CA ALA 43 9.585 8.077 2.998 1.00 0.00 ls3 ATOM 634 HA ALA 43 9.117 9.022 3.214 1.00 0.00 ls3 ATOM 635 CB ALA 43 10.848 7.931 3.846 1.00 0.00 ls3 ATOM 636 HB1 ALA 43 10.917 8.760 4.534 1.00 0.00 ls3 ATOM 637 HB2 ALA 43 11.715 7.922 3.202 1.00 0.00 ls3 ATOM 638 HB3 ALA 43 10.801 7.005 4.401 1.00 0.00 ls3 ATOM 639 C ALA 43 9.958 8.012 1.512 1.00 0.00 ls3 ATOM 640 O ALA 43 9.991 9.015 0.827 1.00 0.00 ls3 ATOM 641 N THR 44 10.244 6.842 1.007 1.00 0.00 ls3 ATOM 642 HN THR 44 10.218 6.043 1.572 1.00 0.00 ls3 ATOM 643 CA THR 44 10.615 6.726 -0.430 1.00 0.00 ls3 ATOM 644 HA THR 44 10.098 7.487 -0.997 1.00 0.00 ls3 ATOM 645 CB THR 44 12.126 6.912 -0.585 1.00 0.00 ls3 ATOM 646 HB THR 44 12.370 7.960 -0.510 1.00 0.00 ls3 ATOM 647 OG1 THR 44 12.535 6.418 -1.853 1.00 0.00 ls3 ATOM 648 HG1 THR 44 11.871 6.669 -2.498 1.00 0.00 ls3 ATOM 649 CG2 THR 44 12.853 6.145 0.521 1.00 0.00 ls3 ATOM 650 HG21 THR 44 13.435 6.835 1.114 1.00 0.00 ls3 ATOM 651 HG22 THR 44 13.508 5.410 0.078 1.00 0.00 ls3 ATOM 652 HG23 THR 44 12.129 5.650 1.151 1.00 0.00 ls3 ATOM 653 C THR 44 10.216 5.345 -0.952 1.00 0.00 ls3 ATOM 654 O THR 44 10.201 4.374 -0.221 1.00 0.00 ls3 ATOM 655 N CYS 45 9.886 5.256 -2.212 1.00 0.00 ls3 ATOM 656 HN CYS 45 9.896 6.046 -2.774 1.00 0.00 ls3 ATOM 657 CA CYS 45 9.481 3.966 -2.806 1.00 0.00 ls3 ATOM 658 HA CYS 45 8.449 3.802 -2.595 1.00 0.00 ls3 ATOM 659 HB1 CYS 45 9.226 4.963 -4.685 1.00 0.00 ls3 ATOM 660 HB2 CYS 45 10.733 4.064 -4.540 1.00 0.00 ls3 ATOM 661 C CYS 45 10.348 2.828 -2.243 1.00 0.00 ls3 ATOM 662 O CYS 45 11.526 2.766 -2.531 1.00 0.00 ls3 ATOM 663 CB CYS 45 9.678 4.053 -4.318 1.00 0.00 ls3 ATOM 664 SG CYS 45 8.899 2.631 -5.119 1.00 0.00 ls3 ATOM 665 N PRO 46 9.753 1.957 -1.456 1.00 0.00 ls3 ATOM 666 CA PRO 46 10.479 0.827 -0.856 1.00 0.00 ls3 ATOM 667 HA PRO 46 11.450 1.142 -0.511 1.00 0.00 ls3 ATOM 668 CB PRO 46 9.605 0.430 0.337 1.00 0.00 ls3 ATOM 669 HB1 PRO 46 9.576 -0.646 0.431 1.00 0.00 ls3 ATOM 670 HB2 PRO 46 9.992 0.871 1.242 1.00 0.00 ls3 ATOM 671 CG PRO 46 8.184 0.973 0.048 1.00 0.00 ls3 ATOM 672 HG1 PRO 46 7.532 0.172 -0.257 1.00 0.00 ls3 ATOM 673 HG2 PRO 46 7.788 1.450 0.932 1.00 0.00 ls3 ATOM 674 CD PRO 46 8.320 2.007 -1.085 1.00 0.00 ls3 ATOM 675 HD2 PRO 46 8.049 2.985 -0.728 1.00 0.00 ls3 ATOM 676 HD1 PRO 46 7.700 1.718 -1.921 1.00 0.00 ls3 ATOM 677 C PRO 46 10.613 -0.321 -1.862 1.00 0.00 ls3 ATOM 678 O PRO 46 9.642 -0.781 -2.428 1.00 0.00 ls3 ATOM 679 N SER 47 11.813 -0.782 -2.090 1.00 0.00 ls3 ATOM 680 HN SER 47 12.583 -0.393 -1.626 1.00 0.00 ls3 ATOM 681 CA SER 47 12.013 -1.895 -3.061 1.00 0.00 ls3 ATOM 682 HA SER 47 11.131 -1.999 -3.675 1.00 0.00 ls3 ATOM 683 CB SER 47 13.219 -1.587 -3.951 1.00 0.00 ls3 ATOM 684 HB1 SER 47 14.068 -1.333 -3.333 1.00 0.00 ls3 ATOM 685 HB2 SER 47 13.456 -2.455 -4.549 1.00 0.00 ls3 ATOM 686 OG SER 47 12.912 -0.494 -4.804 1.00 0.00 ls3 ATOM 687 HG SER 47 12.481 -0.843 -5.589 1.00 0.00 ls3 ATOM 688 C SER 47 12.260 -3.198 -2.301 1.00 0.00 ls3 ATOM 689 O SER 47 13.216 -3.904 -2.550 1.00 0.00 ls3 ATOM 690 N VAL 48 11.400 -3.524 -1.377 1.00 0.00 ls3 ATOM 691 HN VAL 48 10.634 -2.943 -1.192 1.00 0.00 ls3 ATOM 692 CA VAL 48 11.576 -4.781 -0.605 1.00 0.00 ls3 ATOM 693 HA VAL 48 12.573 -5.144 -0.725 1.00 0.00 ls3 ATOM 694 CB VAL 48 11.320 -4.497 0.864 1.00 0.00 ls3 ATOM 695 HB VAL 48 10.269 -4.379 1.011 1.00 0.00 ls3 ATOM 696 CG1 VAL 48 11.833 -5.661 1.712 1.00 0.00 ls3 ATOM 697 HG11 VAL 48 12.391 -5.277 2.553 1.00 0.00 ls3 ATOM 698 HG12 VAL 48 12.475 -6.288 1.110 1.00 0.00 ls3 ATOM 699 HG13 VAL 48 10.996 -6.240 2.069 1.00 0.00 ls3 ATOM 700 CG2 VAL 48 12.045 -3.211 1.269 1.00 0.00 ls3 ATOM 701 HG21 VAL 48 12.167 -3.188 2.342 1.00 0.00 ls3 ATOM 702 HG22 VAL 48 11.467 -2.356 0.953 1.00 0.00 ls3 ATOM 703 HG23 VAL 48 13.016 -3.183 0.796 1.00 0.00 ls3 ATOM 704 C VAL 48 10.581 -5.823 -1.119 1.00 0.00 ls3 ATOM 705 O VAL 48 9.392 -5.581 -1.180 1.00 0.00 ls3 ATOM 706 N ASN 49 11.056 -6.975 -1.512 1.00 0.00 ls3 ATOM 707 HN ASN 49 12.008 -7.149 -1.473 1.00 0.00 ls3 ATOM 708 CA ASN 49 10.141 -8.012 -2.041 1.00 0.00 ls3 ATOM 709 HA ASN 49 9.166 -7.587 -2.148 1.00 0.00 ls3 ATOM 710 CB ASN 49 10.645 -8.482 -3.408 1.00 0.00 ls3 ATOM 711 HB1 ASN 49 10.958 -7.627 -3.990 1.00 0.00 ls3 ATOM 712 HB2 ASN 49 11.483 -9.150 -3.272 1.00 0.00 ls3 ATOM 713 CG ASN 49 9.523 -9.216 -4.145 1.00 0.00 ls3 ATOM 714 OD1 ASN 49 8.363 -9.063 -3.818 1.00 0.00 ls3 ATOM 715 ND2 ASN 49 9.823 -10.014 -5.133 1.00 0.00 ls3 ATOM 716 HD21 ASN 49 10.759 -10.137 -5.397 1.00 0.00 ls3 ATOM 717 HD22 ASN 49 9.113 -10.489 -5.613 1.00 0.00 ls3 ATOM 718 C ASN 49 10.081 -9.206 -1.085 1.00 0.00 ls3 ATOM 719 O ASN 49 9.951 -10.337 -1.507 1.00 0.00 ls3 ATOM 720 N THR 50 10.168 -8.971 0.195 1.00 0.00 ls3 ATOM 721 HN THR 50 10.265 -8.053 0.523 1.00 0.00 ls3 ATOM 722 CA THR 50 10.105 -10.105 1.157 1.00 0.00 ls3 ATOM 723 HA THR 50 10.810 -10.868 0.863 1.00 0.00 ls3 ATOM 724 CB THR 50 10.449 -9.606 2.561 1.00 0.00 ls3 ATOM 725 HB THR 50 9.559 -9.606 3.169 1.00 0.00 ls3 ATOM 726 OG1 THR 50 10.967 -8.286 2.481 1.00 0.00 ls3 ATOM 727 HG1 THR 50 11.120 -7.972 3.375 1.00 0.00 ls3 ATOM 728 CG2 THR 50 11.492 -10.528 3.192 1.00 0.00 ls3 ATOM 729 HG21 THR 50 12.027 -9.992 3.962 1.00 0.00 ls3 ATOM 730 HG22 THR 50 12.188 -10.856 2.433 1.00 0.00 ls3 ATOM 731 HG23 THR 50 11.001 -11.386 3.625 1.00 0.00 ls3 ATOM 732 C THR 50 8.691 -10.686 1.152 1.00 0.00 ls3 ATOM 733 O THR 50 7.855 -10.308 1.949 1.00 0.00 ls3 ATOM 734 N GLY 51 8.411 -11.592 0.255 1.00 0.00 ls3 ATOM 735 HN GLY 51 9.096 -11.880 -0.383 1.00 0.00 ls3 ATOM 736 CA GLY 51 7.044 -12.181 0.199 1.00 0.00 ls3 ATOM 737 HA1 GLY 51 6.908 -12.689 -0.744 1.00 0.00 ls3 ATOM 738 HA2 GLY 51 6.920 -12.885 1.011 1.00 0.00 ls3 ATOM 739 C GLY 51 6.010 -11.061 0.325 1.00 0.00 ls3 ATOM 740 O GLY 51 4.900 -11.273 0.771 1.00 0.00 ls3 ATOM 741 N THR 52 6.371 -9.866 -0.061 1.00 0.00 ls3 ATOM 742 HN THR 52 7.272 -9.718 -0.416 1.00 0.00 ls3 ATOM 743 CA THR 52 5.416 -8.727 0.039 1.00 0.00 ls3 ATOM 744 HA THR 52 4.415 -9.105 0.180 1.00 0.00 ls3 ATOM 745 CB THR 52 5.801 -7.843 1.228 1.00 0.00 ls3 ATOM 746 HB THR 52 6.825 -7.515 1.118 1.00 0.00 ls3 ATOM 747 OG1 THR 52 5.667 -8.586 2.431 1.00 0.00 ls3 ATOM 748 HG1 THR 52 4.730 -8.674 2.622 1.00 0.00 ls3 ATOM 749 CG2 THR 52 4.882 -6.622 1.275 1.00 0.00 ls3 ATOM 750 HG21 THR 52 4.138 -6.701 0.496 1.00 0.00 ls3 ATOM 751 HG22 THR 52 5.466 -5.725 1.126 1.00 0.00 ls3 ATOM 752 HG23 THR 52 4.393 -6.577 2.237 1.00 0.00 ls3 ATOM 753 C THR 52 5.474 -7.900 -1.247 1.00 0.00 ls3 ATOM 754 O THR 52 6.525 -7.706 -1.824 1.00 0.00 ls3 ATOM 755 N GLU 53 4.353 -7.408 -1.700 1.00 0.00 ls3 ATOM 756 HN GLU 53 3.515 -7.573 -1.222 1.00 0.00 ls3 ATOM 757 CA GLU 53 4.349 -6.593 -2.944 1.00 0.00 ls3 ATOM 758 HA GLU 53 5.249 -6.788 -3.501 1.00 0.00 ls3 ATOM 759 CB GLU 53 3.129 -6.961 -3.795 1.00 0.00 ls3 ATOM 760 HB1 GLU 53 2.251 -6.482 -3.389 1.00 0.00 ls3 ATOM 761 HB2 GLU 53 3.285 -6.625 -4.809 1.00 0.00 ls3 ATOM 762 CG GLU 53 2.930 -8.480 -3.787 1.00 0.00 ls3 ATOM 763 HG1 GLU 53 3.191 -8.875 -2.817 1.00 0.00 ls3 ATOM 764 HG2 GLU 53 1.896 -8.707 -4.000 1.00 0.00 ls3 ATOM 765 CD GLU 53 3.822 -9.116 -4.855 1.00 0.00 ls3 ATOM 766 OE1 GLU 53 4.222 -10.253 -4.664 1.00 0.00 ls3 ATOM 767 OE2 GLU 53 4.089 -8.457 -5.846 1.00 0.00 ls3 ATOM 768 C GLU 53 4.283 -5.109 -2.578 1.00 0.00 ls3 ATOM 769 O GLU 53 3.221 -4.522 -2.529 1.00 0.00 ls3 ATOM 770 N ILE 54 5.404 -4.493 -2.321 1.00 0.00 ls3 ATOM 771 HN ILE 54 6.255 -4.978 -2.364 1.00 0.00 ls3 ATOM 772 CA ILE 54 5.382 -3.049 -1.955 1.00 0.00 ls3 ATOM 773 HA ILE 54 4.407 -2.804 -1.558 1.00 0.00 ls3 ATOM 774 CB ILE 54 6.451 -2.771 -0.875 1.00 0.00 ls3 ATOM 775 HB ILE 54 6.668 -3.682 -0.350 1.00 0.00 ls3 ATOM 776 CG1 ILE 54 5.907 -1.741 0.117 1.00 0.00 ls3 ATOM 777 HG11 ILE 54 5.857 -0.773 -0.360 1.00 0.00 ls3 ATOM 778 HG12 ILE 54 4.918 -2.037 0.437 1.00 0.00 ls3 ATOM 779 CG2 ILE 54 7.750 -2.237 -1.488 1.00 0.00 ls3 ATOM 780 HG21 ILE 54 7.799 -2.503 -2.532 1.00 0.00 ls3 ATOM 781 HG22 ILE 54 7.776 -1.164 -1.387 1.00 0.00 ls3 ATOM 782 HG23 ILE 54 8.594 -2.666 -0.969 1.00 0.00 ls3 ATOM 783 CD1 ILE 54 6.835 -1.665 1.331 1.00 0.00 ls3 ATOM 784 HD11 ILE 54 7.646 -2.369 1.208 1.00 0.00 ls3 ATOM 785 HD12 ILE 54 7.236 -0.667 1.416 1.00 0.00 ls3 ATOM 786 HD13 ILE 54 6.280 -1.908 2.224 1.00 0.00 ls3 ATOM 787 C ILE 54 5.634 -2.203 -3.206 1.00 0.00 ls3 ATOM 788 O ILE 54 6.177 -2.670 -4.187 1.00 0.00 ls3 ATOM 789 N LYS 55 5.246 -0.963 -3.172 1.00 0.00 ls3 ATOM 790 HN LYS 55 4.815 -0.608 -2.369 1.00 0.00 ls3 ATOM 791 CA LYS 55 5.463 -0.084 -4.349 1.00 0.00 ls3 ATOM 792 HA LYS 55 6.428 -0.298 -4.784 1.00 0.00 ls3 ATOM 793 CB LYS 55 4.368 -0.337 -5.387 1.00 0.00 ls3 ATOM 794 HB1 LYS 55 3.444 -0.574 -4.886 1.00 0.00 ls3 ATOM 795 HB2 LYS 55 4.234 0.547 -5.993 1.00 0.00 ls3 ATOM 796 CG LYS 55 4.777 -1.510 -6.279 1.00 0.00 ls3 ATOM 797 HG1 LYS 55 5.815 -1.404 -6.559 1.00 0.00 ls3 ATOM 798 HG2 LYS 55 4.643 -2.435 -5.738 1.00 0.00 ls3 ATOM 799 CD LYS 55 3.907 -1.524 -7.537 1.00 0.00 ls3 ATOM 800 HD1 LYS 55 3.170 -2.310 -7.456 1.00 0.00 ls3 ATOM 801 HD2 LYS 55 3.408 -0.572 -7.640 1.00 0.00 ls3 ATOM 802 CE LYS 55 4.787 -1.775 -8.763 1.00 0.00 ls3 ATOM 803 HE1 LYS 55 5.748 -2.151 -8.446 1.00 0.00 ls3 ATOM 804 HE2 LYS 55 4.311 -2.501 -9.406 1.00 0.00 ls3 ATOM 805 NZ LYS 55 4.976 -0.499 -9.510 1.00 0.00 ls3 ATOM 806 HZ1 LYS 55 5.908 -0.098 -9.282 1.00 0.00 ls3 ATOM 807 HZ2 LYS 55 4.917 -0.684 -10.532 1.00 0.00 ls3 ATOM 808 HZ3 LYS 55 4.235 0.177 -9.236 1.00 0.00 ls3 ATOM 809 C LYS 55 5.422 1.376 -3.899 1.00 0.00 ls3 ATOM 810 O LYS 55 5.296 1.672 -2.724 1.00 0.00 ls3 ATOM 811 N CYS 56 5.519 2.289 -4.825 1.00 0.00 ls3 ATOM 812 HN CYS 56 5.608 2.024 -5.763 1.00 0.00 ls3 ATOM 813 CA CYS 56 5.489 3.733 -4.451 1.00 0.00 ls3 ATOM 814 HA CYS 56 5.686 3.828 -3.393 1.00 0.00 ls3 ATOM 815 HB1 CYS 56 6.048 5.289 -5.832 1.00 0.00 ls3 ATOM 816 HB2 CYS 56 7.212 5.022 -4.541 1.00 0.00 ls3 ATOM 817 C CYS 56 4.104 4.296 -4.755 1.00 0.00 ls3 ATOM 818 O CYS 56 3.501 3.982 -5.761 1.00 0.00 ls3 ATOM 819 CB CYS 56 6.547 4.537 -5.239 1.00 0.00 ls3 ATOM 820 SG CYS 56 7.519 3.464 -6.335 1.00 0.00 ls3 ATOM 821 N CYS 57 3.587 5.117 -3.884 1.00 0.00 ls3 ATOM 822 HN CYS 57 4.085 5.350 -3.072 1.00 0.00 ls3 ATOM 823 CA CYS 57 2.234 5.685 -4.117 1.00 0.00 ls3 ATOM 824 HA CYS 57 2.075 5.826 -5.176 1.00 0.00 ls3 ATOM 825 HB1 CYS 57 1.271 3.766 -4.084 1.00 0.00 ls3 ATOM 826 HB2 CYS 57 1.349 4.565 -2.514 1.00 0.00 ls3 ATOM 827 C CYS 57 2.102 7.029 -3.402 1.00 0.00 ls3 ATOM 828 O CYS 57 2.690 7.265 -2.364 1.00 0.00 ls3 ATOM 829 CB CYS 57 1.186 4.713 -3.571 1.00 0.00 ls3 ATOM 830 SG CYS 57 -0.468 5.395 -3.835 1.00 0.00 ls3 ATOM 831 N SER 58 1.332 7.919 -3.949 1.00 0.00 ls3 ATOM 832 HN SER 58 0.871 7.720 -4.788 1.00 0.00 ls3 ATOM 833 CA SER 58 1.165 9.236 -3.288 1.00 0.00 ls3 ATOM 834 HA SER 58 1.503 9.157 -2.279 1.00 0.00 ls3 ATOM 835 CB SER 58 1.986 10.296 -4.025 1.00 0.00 ls3 ATOM 836 HB1 SER 58 1.831 10.196 -5.089 1.00 0.00 ls3 ATOM 837 HB2 SER 58 3.034 10.159 -3.800 1.00 0.00 ls3 ATOM 838 OG SER 58 1.577 11.589 -3.606 1.00 0.00 ls3 ATOM 839 HG SER 58 1.389 12.110 -4.390 1.00 0.00 ls3 ATOM 840 C SER 58 -0.306 9.636 -3.279 1.00 0.00 ls3 ATOM 841 O SER 58 -0.702 10.571 -2.613 1.00 0.00 ls3 ATOM 842 N ALA 59 -1.119 8.936 -4.005 1.00 0.00 ls3 ATOM 843 HN ALA 59 -0.779 8.173 -4.524 1.00 0.00 ls3 ATOM 844 CA ALA 59 -2.568 9.280 -4.025 1.00 0.00 ls3 ATOM 845 HA ALA 59 -2.906 9.458 -3.015 1.00 0.00 ls3 ATOM 846 CB ALA 59 -2.773 10.544 -4.859 1.00 0.00 ls3 ATOM 847 HB1 ALA 59 -2.439 11.403 -4.298 1.00 0.00 ls3 ATOM 848 HB2 ALA 59 -3.821 10.651 -5.096 1.00 0.00 ls3 ATOM 849 HB3 ALA 59 -2.203 10.467 -5.773 1.00 0.00 ls3 ATOM 850 C ALA 59 -3.357 8.114 -4.622 1.00 0.00 ls3 ATOM 851 O ALA 59 -3.428 7.043 -4.052 1.00 0.00 ls3 ATOM 852 N ASP 60 -3.923 8.302 -5.787 1.00 0.00 ls3 ATOM 853 HN ASP 60 -3.834 9.159 -6.245 1.00 0.00 ls3 ATOM 854 CA ASP 60 -4.671 7.200 -6.437 1.00 0.00 ls3 ATOM 855 HA ASP 60 -4.992 6.490 -5.691 1.00 0.00 ls3 ATOM 856 CB ASP 60 -5.881 7.761 -7.187 1.00 0.00 ls3 ATOM 857 HB1 ASP 60 -6.517 8.295 -6.496 1.00 0.00 ls3 ATOM 858 HB2 ASP 60 -5.545 8.434 -7.961 1.00 0.00 ls3 ATOM 859 CG ASP 60 -6.667 6.610 -7.818 1.00 0.00 ls3 ATOM 860 OD1 ASP 60 -6.911 6.668 -9.012 1.00 0.00 ls3 ATOM 861 OD2 ASP 60 -7.013 5.689 -7.095 1.00 0.00 ls3 ATOM 862 C ASP 60 -3.721 6.522 -7.413 1.00 0.00 ls3 ATOM 863 O ASP 60 -4.108 6.041 -8.459 1.00 0.00 ls3 ATOM 864 N LYS 61 -2.467 6.488 -7.060 1.00 0.00 ls3 ATOM 865 HN LYS 61 -2.194 6.884 -6.212 1.00 0.00 ls3 ATOM 866 CA LYS 61 -1.455 5.853 -7.933 1.00 0.00 ls3 ATOM 867 HA LYS 61 -1.889 5.650 -8.889 1.00 0.00 ls3 ATOM 868 CB LYS 61 -0.257 6.791 -8.100 1.00 0.00 ls3 ATOM 869 HB1 LYS 61 -0.530 7.613 -8.746 1.00 0.00 ls3 ATOM 870 HB2 LYS 61 0.038 7.175 -7.134 1.00 0.00 ls3 ATOM 871 CG LYS 61 0.912 6.022 -8.721 1.00 0.00 ls3 ATOM 872 HG1 LYS 61 1.447 5.495 -7.945 1.00 0.00 ls3 ATOM 873 HG2 LYS 61 0.533 5.312 -9.441 1.00 0.00 ls3 ATOM 874 CD LYS 61 1.857 7.002 -9.418 1.00 0.00 ls3 ATOM 875 HD1 LYS 61 1.572 8.013 -9.171 1.00 0.00 ls3 ATOM 876 HD2 LYS 61 2.870 6.822 -9.087 1.00 0.00 ls3 ATOM 877 CE LYS 61 1.772 6.803 -10.932 1.00 0.00 ls3 ATOM 878 HE1 LYS 61 1.641 5.753 -11.151 1.00 0.00 ls3 ATOM 879 HE2 LYS 61 0.933 7.360 -11.322 1.00 0.00 ls3 ATOM 880 NZ LYS 61 3.030 7.288 -11.567 1.00 0.00 ls3 ATOM 881 HZ1 LYS 61 3.762 7.408 -10.839 1.00 0.00 ls3 ATOM 882 HZ2 LYS 61 3.352 6.594 -12.272 1.00 0.00 ls3 ATOM 883 HZ3 LYS 61 2.855 8.201 -12.032 1.00 0.00 ls3 ATOM 884 C LYS 61 -0.994 4.550 -7.285 1.00 0.00 ls3 ATOM 885 O LYS 61 -0.161 3.840 -7.812 1.00 0.00 ls3 ATOM 886 N CYS 62 -1.529 4.236 -6.137 1.00 0.00 ls3 ATOM 887 HN CYS 62 -2.194 4.827 -5.725 1.00 0.00 ls3 ATOM 888 CA CYS 62 -1.121 2.984 -5.449 1.00 0.00 ls3 ATOM 889 HA CYS 62 -0.087 3.059 -5.152 1.00 0.00 ls3 ATOM 890 HB1 CYS 62 -3.038 2.777 -4.506 1.00 0.00 ls3 ATOM 891 HB2 CYS 62 -1.767 1.798 -3.784 1.00 0.00 ls3 ATOM 892 C CYS 62 -1.295 1.804 -6.406 1.00 0.00 ls3 ATOM 893 O CYS 62 -0.665 0.775 -6.261 1.00 0.00 ls3 ATOM 894 CB CYS 62 -1.999 2.762 -4.212 1.00 0.00 ls3 ATOM 895 SG CYS 62 -1.708 4.054 -2.967 1.00 0.00 ls3 ATOM 896 N ASN 63 -2.152 1.942 -7.381 1.00 0.00 ls3 ATOM 897 HN ASN 63 -2.652 2.776 -7.478 1.00 0.00 ls3 ATOM 898 CA ASN 63 -2.374 0.829 -8.343 1.00 0.00 ls3 ATOM 899 HA ASN 63 -2.023 -0.091 -7.908 1.00 0.00 ls3 ATOM 900 CB ASN 63 -3.868 0.711 -8.650 1.00 0.00 ls3 ATOM 901 HB1 ASN 63 -4.004 0.155 -9.566 1.00 0.00 ls3 ATOM 902 HB2 ASN 63 -4.362 0.197 -7.840 1.00 0.00 ls3 ATOM 903 CG ASN 63 -4.469 2.110 -8.809 1.00 0.00 ls3 ATOM 904 OD1 ASN 63 -4.798 2.756 -7.834 1.00 0.00 ls3 ATOM 905 ND2 ASN 63 -4.626 2.607 -10.005 1.00 0.00 ls3 ATOM 906 HD21 ASN 63 -4.361 2.086 -10.791 1.00 0.00 ls3 ATOM 907 HD22 ASN 63 -5.011 3.502 -10.117 1.00 0.00 ls3 ATOM 908 C ASN 63 -1.607 1.107 -9.637 1.00 0.00 ls3 ATOM 909 O ASN 63 -2.151 1.618 -10.596 1.00 0.00 ls3 ATOM 910 N THR 64 -0.347 0.771 -9.673 1.00 0.00 ls3 ATOM 911 HN THR 64 0.072 0.358 -8.889 1.00 0.00 ls3 ATOM 912 CA THR 64 0.453 1.012 -10.905 1.00 0.00 ls3 ATOM 913 HA THR 64 -0.067 1.711 -11.543 1.00 0.00 ls3 ATOM 914 CB THR 64 1.804 1.604 -10.527 1.00 0.00 ls3 ATOM 915 HB THR 64 2.597 0.974 -10.899 1.00 0.00 ls3 ATOM 916 OG1 THR 64 1.899 1.713 -9.113 1.00 0.00 ls3 ATOM 917 HG1 THR 64 1.604 2.592 -8.862 1.00 0.00 ls3 ATOM 918 CG2 THR 64 1.915 2.985 -11.161 1.00 0.00 ls3 ATOM 919 HG21 THR 64 0.989 3.522 -11.009 1.00 0.00 ls3 ATOM 920 HG22 THR 64 2.097 2.878 -12.221 1.00 0.00 ls3 ATOM 921 HG23 THR 64 2.727 3.527 -10.706 1.00 0.00 ls3 ATOM 922 C THR 64 0.660 -0.308 -11.650 1.00 0.00 ls3 ATOM 923 O THR 64 0.853 -1.347 -11.050 1.00 0.00 ls3 ATOM 924 N TYR 65 0.621 -0.276 -12.954 1.00 0.00 ls3 ATOM 925 HN TYR 65 0.468 0.553 -13.414 1.00 0.00 ls3 ATOM 926 CA TYR 65 0.811 -1.509 -13.735 1.00 0.00 ls3 ATOM 927 HA TYR 65 1.662 -2.027 -13.355 1.00 0.00 ls3 ATOM 928 CB TYR 65 -0.432 -2.379 -13.600 1.00 0.00 ls3 ATOM 929 HB1 TYR 65 -0.658 -2.515 -12.554 1.00 0.00 ls3 ATOM 930 HB2 TYR 65 -1.262 -1.888 -14.085 1.00 0.00 ls3 ATOM 931 CG TYR 65 -0.186 -3.721 -14.247 1.00 0.00 ls3 ATOM 932 CD1 TYR 65 -1.091 -4.216 -15.196 1.00 0.00 ls3 ATOM 933 HD1 TYR 65 -1.963 -3.638 -15.463 1.00 0.00 ls3 ATOM 934 CD2 TYR 65 0.945 -4.471 -13.900 1.00 0.00 ls3 ATOM 935 HD2 TYR 65 1.643 -4.089 -13.168 1.00 0.00 ls3 ATOM 936 CE1 TYR 65 -0.863 -5.460 -15.798 1.00 0.00 ls3 ATOM 937 HE1 TYR 65 -1.561 -5.842 -16.529 1.00 0.00 ls3 ATOM 938 CE2 TYR 65 1.173 -5.716 -14.502 1.00 0.00 ls3 ATOM 939 HE2 TYR 65 2.045 -6.294 -14.234 1.00 0.00 ls3 ATOM 940 CZ TYR 65 0.268 -6.211 -15.450 1.00 0.00 ls3 ATOM 941 OH TYR 65 0.492 -7.436 -16.043 1.00 0.00 ls3 ATOM 942 HH TYR 65 1.415 -7.475 -16.305 1.00 0.00 ls3 ATOM 943 C TYR 65 1.038 -1.156 -15.209 1.00 0.00 ls3 ATOM 944 O TYR 65 0.150 -1.311 -16.025 1.00 0.00 ls3 ATOM 945 N PRO 66 2.225 -0.691 -15.504 1.00 0.00 ls3 ATOM 946 CA PRO 66 2.610 -0.305 -16.873 1.00 0.00 ls3 ATOM 947 HA PRO 66 1.834 0.281 -17.338 1.00 0.00 ls3 ATOM 948 CB PRO 66 3.862 0.550 -16.667 1.00 0.00 ls3 ATOM 949 HB1 PRO 66 4.581 0.349 -17.447 1.00 0.00 ls3 ATOM 950 HB2 PRO 66 3.599 1.598 -16.665 1.00 0.00 ls3 ATOM 951 CG PRO 66 4.444 0.146 -15.290 1.00 0.00 ls3 ATOM 952 HG1 PRO 66 5.250 -0.561 -15.423 1.00 0.00 ls3 ATOM 953 HG2 PRO 66 4.802 1.021 -14.768 1.00 0.00 ls3 ATOM 954 CD PRO 66 3.294 -0.507 -14.500 1.00 0.00 ls3 ATOM 955 HD2 PRO 66 2.961 0.147 -13.708 1.00 0.00 ls3 ATOM 956 HD1 PRO 66 3.605 -1.461 -14.099 1.00 0.00 ls3 ATOM 957 C PRO 66 2.929 -1.548 -17.708 1.00 0.00 ls3 ATOM 958 OT1 PRO 66 2.508 -1.593 -18.852 1.00 0.00 ls3 ATOM 959 OT2 PRO 66 3.590 -2.433 -17.189 1.00 0.00 ls3 END