USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot 162:sc= 0.947 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -110:sc= -0.13 (180deg=-0.194) USER MOD Set 2.1: A 55 ASN : amide:sc= 1.54 K(o=2.2,f=-11!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.256 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 0.952 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0708 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 159:sc= -0.186 (180deg=-0.754) USER MOD Single : A 8 CYS SG : rot 30:sc= 0.00197 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 44:sc= -1.72! USER MOD Single : A 12 LYS NZ :NH3+ 135:sc= 0.328 (180deg=-0.41) USER MOD Single : A 14 SER OG : rot 180:sc= -0.118 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0.961 (180deg=0.947) USER MOD Single : A 18 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 28 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.8!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -163:sc= 0.367 (180deg=0.266) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0086) USER MOD Single : A 37 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.0016) USER MOD Single : A 39 MET CE :methyl -172:sc= -0.236 (180deg=-0.343) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.0201 (180deg=-0.157) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -23:sc= -0.27 USER MOD Single : A 52 GLN : amide:sc= 0.858 K(o=0.86,f=-4.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 57 GLN : amide:sc= 0.34 K(o=0.34,f=-5.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 73 SER OG : rot 180:sc= -0.882 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 1.2 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.112 4.392 3.000 1.00 0.00 N ATOM 2 CA GLY A 1 -21.224 5.276 3.346 1.00 0.00 C ATOM 3 C GLY A 1 -22.536 4.726 2.835 1.00 0.00 C ATOM 4 O GLY A 1 -22.692 3.508 2.756 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.458 4.324 3.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.479 3.446 2.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.607 4.776 2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.274 5.397 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.051 6.265 2.923 1.00 0.00 H new ATOM 10 N PRO A 2 -23.497 5.601 2.419 1.00 0.00 N ATOM 11 CA PRO A 2 -24.823 5.177 1.895 1.00 0.00 C ATOM 12 C PRO A 2 -24.714 4.595 0.484 1.00 0.00 C ATOM 13 O PRO A 2 -25.713 4.272 -0.165 1.00 0.00 O ATOM 14 CB PRO A 2 -25.633 6.488 1.846 1.00 0.00 C ATOM 15 CG PRO A 2 -24.812 7.498 2.580 1.00 0.00 C ATOM 16 CD PRO A 2 -23.388 7.065 2.438 1.00 0.00 C ATOM 0 HA PRO A 2 -25.273 4.400 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -25.810 6.801 0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.610 6.363 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.959 8.495 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -25.101 7.545 3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.937 7.449 1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.774 7.415 3.268 1.00 0.00 H new ATOM 24 N LEU A 3 -23.507 4.517 0.018 1.00 0.00 N ATOM 25 CA LEU A 3 -23.171 3.965 -1.238 1.00 0.00 C ATOM 26 C LEU A 3 -21.819 3.307 -1.113 1.00 0.00 C ATOM 27 O LEU A 3 -21.047 3.647 -0.195 1.00 0.00 O ATOM 28 CB LEU A 3 -23.225 5.047 -2.364 1.00 0.00 C ATOM 29 CG LEU A 3 -22.501 6.407 -2.129 1.00 0.00 C ATOM 30 CD1 LEU A 3 -20.982 6.285 -2.153 1.00 0.00 C ATOM 31 CD2 LEU A 3 -22.968 7.437 -3.144 1.00 0.00 C ATOM 0 H LEU A 3 -22.696 4.856 0.536 1.00 0.00 H new ATOM 0 HA LEU A 3 -23.899 3.209 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.810 4.603 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -24.274 5.262 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 3 -22.771 6.737 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -20.536 7.265 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -20.660 5.599 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -20.663 5.904 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -22.453 8.381 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -22.743 7.084 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -24.043 7.585 -3.044 1.00 0.00 H new ATOM 43 N GLY A 4 -21.555 2.359 -1.960 1.00 0.00 N ATOM 44 CA GLY A 4 -20.280 1.703 -1.970 1.00 0.00 C ATOM 45 C GLY A 4 -19.593 1.939 -3.277 1.00 0.00 C ATOM 46 O GLY A 4 -18.736 1.174 -3.688 1.00 0.00 O ATOM 0 H GLY A 4 -22.213 2.018 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.663 2.077 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.411 0.633 -1.807 1.00 0.00 H new ATOM 50 N SER A 5 -19.964 3.021 -3.922 1.00 0.00 N ATOM 51 CA SER A 5 -19.470 3.351 -5.239 1.00 0.00 C ATOM 52 C SER A 5 -18.080 3.976 -5.206 1.00 0.00 C ATOM 53 O SER A 5 -17.491 4.272 -6.242 1.00 0.00 O ATOM 54 CB SER A 5 -20.478 4.232 -5.943 1.00 0.00 C ATOM 55 OG SER A 5 -21.753 3.593 -5.942 1.00 0.00 O ATOM 0 H SER A 5 -20.622 3.702 -3.544 1.00 0.00 H new ATOM 0 HA SER A 5 -19.353 2.427 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.544 5.198 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.157 4.424 -6.967 1.00 0.00 H new ATOM 0 HG SER A 5 -22.406 4.165 -6.397 1.00 0.00 H new ATOM 61 N MET A 6 -17.579 4.172 -4.036 1.00 0.00 N ATOM 62 CA MET A 6 -16.237 4.651 -3.854 1.00 0.00 C ATOM 63 C MET A 6 -15.484 3.613 -3.089 1.00 0.00 C ATOM 64 O MET A 6 -16.076 2.849 -2.294 1.00 0.00 O ATOM 65 CB MET A 6 -16.173 5.988 -3.120 1.00 0.00 C ATOM 66 CG MET A 6 -16.903 7.115 -3.822 1.00 0.00 C ATOM 67 SD MET A 6 -16.810 8.681 -2.925 1.00 0.00 S ATOM 68 CE MET A 6 -15.031 8.951 -2.905 1.00 0.00 C ATOM 0 H MET A 6 -18.086 4.006 -3.167 1.00 0.00 H new ATOM 0 HA MET A 6 -15.797 4.824 -4.836 1.00 0.00 H new ATOM 0 HB2 MET A 6 -16.594 5.863 -2.122 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.128 6.270 -2.992 1.00 0.00 H new ATOM 0 HG2 MET A 6 -16.483 7.248 -4.819 1.00 0.00 H new ATOM 0 HG3 MET A 6 -17.949 6.838 -3.952 1.00 0.00 H new ATOM 0 HE1 MET A 6 -14.825 10.008 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 6 -14.583 8.362 -2.105 1.00 0.00 H new ATOM 0 HE3 MET A 6 -14.606 8.647 -3.861 1.00 0.00 H new ATOM 78 N SER A 7 -14.227 3.569 -3.294 1.00 0.00 N ATOM 79 CA SER A 7 -13.425 2.568 -2.713 1.00 0.00 C ATOM 80 C SER A 7 -12.175 3.169 -2.132 1.00 0.00 C ATOM 81 O SER A 7 -11.518 3.984 -2.770 1.00 0.00 O ATOM 82 CB SER A 7 -13.109 1.534 -3.772 1.00 0.00 C ATOM 83 OG SER A 7 -14.318 0.960 -4.277 1.00 0.00 O ATOM 0 H SER A 7 -13.719 4.234 -3.877 1.00 0.00 H new ATOM 0 HA SER A 7 -13.956 2.085 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.549 1.995 -4.586 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.475 0.753 -3.351 1.00 0.00 H new ATOM 0 HG SER A 7 -14.139 0.522 -5.135 1.00 0.00 H new ATOM 89 N CYS A 8 -11.863 2.780 -0.925 1.00 0.00 N ATOM 90 CA CYS A 8 -10.718 3.284 -0.231 1.00 0.00 C ATOM 91 C CYS A 8 -10.111 2.195 0.625 1.00 0.00 C ATOM 92 O CYS A 8 -10.839 1.400 1.219 1.00 0.00 O ATOM 93 CB CYS A 8 -11.138 4.466 0.636 1.00 0.00 C ATOM 94 SG CYS A 8 -12.541 4.110 1.723 1.00 0.00 S ATOM 0 H CYS A 8 -12.404 2.098 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.970 3.614 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.289 4.779 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.394 5.306 -0.010 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.534 2.850 2.042 1.00 0.00 H new ATOM 100 N VAL A 9 -8.808 2.154 0.693 1.00 0.00 N ATOM 101 CA VAL A 9 -8.133 1.178 1.524 1.00 0.00 C ATOM 102 C VAL A 9 -7.573 1.894 2.722 1.00 0.00 C ATOM 103 O VAL A 9 -6.937 2.949 2.574 1.00 0.00 O ATOM 104 CB VAL A 9 -6.949 0.444 0.789 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.195 -0.483 1.737 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.433 -0.357 -0.399 1.00 0.00 C ATOM 0 H VAL A 9 -8.187 2.783 0.185 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.865 0.417 1.795 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.276 1.226 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.385 -0.974 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.783 0.098 2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.878 -1.236 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.585 -0.847 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.146 -1.110 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.918 0.308 -1.113 1.00 0.00 H new ATOM 116 N HIS A 10 -7.852 1.362 3.892 1.00 0.00 N ATOM 117 CA HIS A 10 -7.282 1.877 5.109 1.00 0.00 C ATOM 118 C HIS A 10 -5.899 1.338 5.254 1.00 0.00 C ATOM 119 O HIS A 10 -5.706 0.139 5.447 1.00 0.00 O ATOM 120 CB HIS A 10 -8.117 1.520 6.346 1.00 0.00 C ATOM 121 CG HIS A 10 -9.264 2.440 6.603 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.368 3.221 7.733 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.359 2.708 5.863 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.489 3.928 7.647 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.135 3.659 6.528 1.00 0.00 N ATOM 0 H HIS A 10 -8.476 0.566 4.022 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.267 2.965 5.043 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.499 0.506 6.231 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.466 1.518 7.220 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.597 2.259 4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.827 4.630 8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.018 4.062 6.214 1.00 0.00 H new ATOM 133 N TYR A 11 -4.948 2.184 5.122 1.00 0.00 N ATOM 134 CA TYR A 11 -3.587 1.776 5.225 1.00 0.00 C ATOM 135 C TYR A 11 -2.880 2.724 6.146 1.00 0.00 C ATOM 136 O TYR A 11 -3.230 3.905 6.207 1.00 0.00 O ATOM 137 CB TYR A 11 -2.900 1.770 3.834 1.00 0.00 C ATOM 138 CG TYR A 11 -2.679 3.151 3.234 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.693 3.807 2.565 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.448 3.804 3.370 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.502 5.061 2.047 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.248 5.064 2.862 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.288 5.689 2.197 1.00 0.00 C ATOM 144 OH TYR A 11 -2.126 6.945 1.700 1.00 0.00 O ATOM 0 H TYR A 11 -5.084 3.178 4.940 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.542 0.760 5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.937 1.267 3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.506 1.181 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.652 3.324 2.448 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.639 3.307 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.305 5.556 1.521 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.295 5.559 2.980 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.910 7.489 1.924 1.00 0.00 H new ATOM 154 N LYS A 12 -1.943 2.242 6.878 1.00 0.00 N ATOM 155 CA LYS A 12 -1.151 3.113 7.676 1.00 0.00 C ATOM 156 C LYS A 12 0.288 2.765 7.410 1.00 0.00 C ATOM 157 O LYS A 12 0.624 1.597 7.207 1.00 0.00 O ATOM 158 CB LYS A 12 -1.495 3.032 9.181 1.00 0.00 C ATOM 159 CG LYS A 12 -0.781 1.952 9.960 1.00 0.00 C ATOM 160 CD LYS A 12 -1.175 1.982 11.416 1.00 0.00 C ATOM 161 CE LYS A 12 -0.208 1.183 12.252 1.00 0.00 C ATOM 162 NZ LYS A 12 1.131 1.813 12.304 1.00 0.00 N ATOM 0 H LYS A 12 -1.704 1.253 6.943 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.356 4.148 7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.268 3.995 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.569 2.877 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.018 0.976 9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.297 2.086 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.201 3.013 11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.181 1.580 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.601 1.082 13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.120 0.177 11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.481 1.804 13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.788 1.283 11.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.066 2.795 11.969 1.00 0.00 H new ATOM 176 N PHE A 13 1.113 3.746 7.360 1.00 0.00 N ATOM 177 CA PHE A 13 2.502 3.543 7.061 1.00 0.00 C ATOM 178 C PHE A 13 3.238 3.309 8.362 1.00 0.00 C ATOM 179 O PHE A 13 2.670 3.502 9.432 1.00 0.00 O ATOM 180 CB PHE A 13 3.036 4.793 6.377 1.00 0.00 C ATOM 181 CG PHE A 13 3.999 4.548 5.284 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.318 4.217 5.530 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.572 4.657 3.989 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.182 3.991 4.490 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.420 4.440 2.953 1.00 0.00 C ATOM 186 CZ PHE A 13 5.726 4.104 3.198 1.00 0.00 C ATOM 0 H PHE A 13 0.854 4.719 7.524 1.00 0.00 H new ATOM 0 HA PHE A 13 2.640 2.685 6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.193 5.358 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.515 5.422 7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.670 4.136 6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.544 4.920 3.788 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.211 3.727 4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.067 4.532 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.400 3.927 2.373 1.00 0.00 H new ATOM 196 N SER A 14 4.473 2.894 8.275 1.00 0.00 N ATOM 197 CA SER A 14 5.312 2.709 9.435 1.00 0.00 C ATOM 198 C SER A 14 5.425 4.005 10.255 1.00 0.00 C ATOM 199 O SER A 14 5.398 3.981 11.490 1.00 0.00 O ATOM 200 CB SER A 14 6.680 2.227 8.979 1.00 0.00 C ATOM 201 OG SER A 14 6.542 1.087 8.141 1.00 0.00 O ATOM 0 H SER A 14 4.932 2.672 7.391 1.00 0.00 H new ATOM 0 HA SER A 14 4.863 1.960 10.088 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.194 3.023 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.294 1.979 9.845 1.00 0.00 H new ATOM 0 HG SER A 14 7.428 0.785 7.851 1.00 0.00 H new ATOM 207 N SER A 15 5.475 5.124 9.562 1.00 0.00 N ATOM 208 CA SER A 15 5.608 6.406 10.196 1.00 0.00 C ATOM 209 C SER A 15 4.232 7.034 10.500 1.00 0.00 C ATOM 210 O SER A 15 4.159 8.167 10.966 1.00 0.00 O ATOM 211 CB SER A 15 6.386 7.318 9.266 1.00 0.00 C ATOM 212 OG SER A 15 7.570 6.676 8.790 1.00 0.00 O ATOM 0 H SER A 15 5.424 5.163 8.544 1.00 0.00 H new ATOM 0 HA SER A 15 6.130 6.278 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.758 7.603 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.652 8.236 9.790 1.00 0.00 H new ATOM 0 HG SER A 15 8.053 7.283 8.191 1.00 0.00 H new ATOM 218 N LYS A 16 3.149 6.309 10.229 1.00 0.00 N ATOM 219 CA LYS A 16 1.815 6.836 10.461 1.00 0.00 C ATOM 220 C LYS A 16 1.105 5.985 11.497 1.00 0.00 C ATOM 221 O LYS A 16 1.023 4.754 11.364 1.00 0.00 O ATOM 222 CB LYS A 16 0.997 6.843 9.166 1.00 0.00 C ATOM 223 CG LYS A 16 1.655 7.575 8.002 1.00 0.00 C ATOM 224 CD LYS A 16 0.847 7.407 6.721 1.00 0.00 C ATOM 225 CE LYS A 16 -0.354 8.341 6.634 1.00 0.00 C ATOM 226 NZ LYS A 16 0.055 9.750 6.404 1.00 0.00 N ATOM 0 H LYS A 16 3.173 5.362 9.851 1.00 0.00 H new ATOM 0 HA LYS A 16 1.909 7.861 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.805 5.812 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.029 7.302 9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.748 8.634 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.664 7.192 7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.498 7.584 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.501 6.376 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.008 8.016 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.931 8.277 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.772 10.372 6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.777 10.020 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.448 9.845 5.446 1.00 0.00 H new ATOM 240 N LEU A 17 0.621 6.613 12.525 1.00 0.00 N ATOM 241 CA LEU A 17 -0.108 5.907 13.543 1.00 0.00 C ATOM 242 C LEU A 17 -1.553 5.755 13.083 1.00 0.00 C ATOM 243 O LEU A 17 -2.153 4.684 13.212 1.00 0.00 O ATOM 244 CB LEU A 17 0.014 6.662 14.889 1.00 0.00 C ATOM 245 CG LEU A 17 -0.483 5.950 16.169 1.00 0.00 C ATOM 246 CD1 LEU A 17 0.081 6.651 17.382 1.00 0.00 C ATOM 247 CD2 LEU A 17 -2.001 5.949 16.260 1.00 0.00 C ATOM 0 H LEU A 17 0.716 7.616 12.684 1.00 0.00 H new ATOM 0 HA LEU A 17 0.303 4.910 13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.064 6.917 15.035 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.532 7.601 14.796 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.143 4.915 16.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.268 6.151 18.286 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.170 6.619 17.347 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.252 7.689 17.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.310 5.440 17.173 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.365 6.976 16.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.417 5.430 15.396 1.00 0.00 H new ATOM 259 N ASN A 18 -2.087 6.808 12.513 1.00 0.00 N ATOM 260 CA ASN A 18 -3.462 6.807 12.039 1.00 0.00 C ATOM 261 C ASN A 18 -3.512 6.228 10.641 1.00 0.00 C ATOM 262 O ASN A 18 -2.498 6.231 9.924 1.00 0.00 O ATOM 263 CB ASN A 18 -4.050 8.233 12.015 1.00 0.00 C ATOM 264 CG ASN A 18 -4.077 8.943 13.370 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.974 10.169 13.435 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.246 8.216 14.445 1.00 0.00 N ATOM 0 H ASN A 18 -1.591 7.686 12.362 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.055 6.201 12.724 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.471 8.837 11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.067 8.184 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.295 8.663 15.361 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.329 7.202 14.367 1.00 0.00 H new ATOM 273 N TYR A 19 -4.668 5.741 10.241 1.00 0.00 N ATOM 274 CA TYR A 19 -4.821 5.186 8.916 1.00 0.00 C ATOM 275 C TYR A 19 -5.205 6.256 7.933 1.00 0.00 C ATOM 276 O TYR A 19 -5.926 7.208 8.274 1.00 0.00 O ATOM 277 CB TYR A 19 -5.866 4.072 8.864 1.00 0.00 C ATOM 278 CG TYR A 19 -5.469 2.776 9.538 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.549 2.621 10.917 1.00 0.00 C ATOM 280 CD2 TYR A 19 -5.013 1.701 8.786 1.00 0.00 C ATOM 281 CE1 TYR A 19 -5.186 1.433 11.519 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.651 0.515 9.381 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.738 0.384 10.744 1.00 0.00 C ATOM 284 OH TYR A 19 -4.385 -0.805 11.337 1.00 0.00 O ATOM 0 H TYR A 19 -5.512 5.719 10.813 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.854 4.760 8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.783 4.436 9.327 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.097 3.862 7.820 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.900 3.441 11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.941 1.798 7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.253 1.326 12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.300 -0.309 8.778 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.092 -1.439 10.650 1.00 0.00 H new ATOM 294 N ASP A 20 -4.745 6.099 6.738 1.00 0.00 N ATOM 295 CA ASP A 20 -5.052 6.992 5.657 1.00 0.00 C ATOM 296 C ASP A 20 -5.906 6.203 4.692 1.00 0.00 C ATOM 297 O ASP A 20 -6.077 4.989 4.886 1.00 0.00 O ATOM 298 CB ASP A 20 -3.758 7.457 4.993 1.00 0.00 C ATOM 299 CG ASP A 20 -3.936 8.650 4.062 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.009 9.789 4.548 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.002 8.477 2.838 1.00 0.00 O ATOM 0 H ASP A 20 -4.130 5.330 6.473 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.579 7.884 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.037 7.718 5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.333 6.628 4.428 1.00 0.00 H new ATOM 306 N THR A 21 -6.405 6.821 3.671 1.00 0.00 N ATOM 307 CA THR A 21 -7.304 6.166 2.782 1.00 0.00 C ATOM 308 C THR A 21 -7.020 6.526 1.366 1.00 0.00 C ATOM 309 O THR A 21 -7.119 7.699 0.969 1.00 0.00 O ATOM 310 CB THR A 21 -8.775 6.465 3.121 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.940 7.839 3.532 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.300 5.523 4.177 1.00 0.00 C ATOM 0 H THR A 21 -6.201 7.791 3.432 1.00 0.00 H new ATOM 0 HA THR A 21 -7.144 5.095 2.910 1.00 0.00 H new ATOM 0 HB THR A 21 -9.360 6.307 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.883 8.007 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.341 5.762 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.230 4.497 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.708 5.629 5.086 1.00 0.00 H new ATOM 320 N VAL A 22 -6.631 5.554 0.612 1.00 0.00 N ATOM 321 CA VAL A 22 -6.381 5.772 -0.766 1.00 0.00 C ATOM 322 C VAL A 22 -7.631 5.387 -1.550 1.00 0.00 C ATOM 323 O VAL A 22 -8.144 4.274 -1.411 1.00 0.00 O ATOM 324 CB VAL A 22 -5.109 5.014 -1.260 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.249 3.489 -1.270 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.632 5.560 -2.583 1.00 0.00 C ATOM 0 H VAL A 22 -6.480 4.597 0.932 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.167 6.827 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.336 5.208 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.321 3.041 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.458 3.136 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.067 3.203 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.745 5.014 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.418 5.445 -3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.388 6.617 -2.474 1.00 0.00 H new ATOM 336 N THR A 23 -8.169 6.326 -2.269 1.00 0.00 N ATOM 337 CA THR A 23 -9.352 6.095 -3.046 1.00 0.00 C ATOM 338 C THR A 23 -9.000 5.574 -4.425 1.00 0.00 C ATOM 339 O THR A 23 -8.007 6.007 -5.030 1.00 0.00 O ATOM 340 CB THR A 23 -10.197 7.375 -3.132 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.323 8.509 -3.300 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.041 7.555 -1.879 1.00 0.00 C ATOM 0 H THR A 23 -7.801 7.275 -2.334 1.00 0.00 H new ATOM 0 HA THR A 23 -9.948 5.330 -2.548 1.00 0.00 H new ATOM 0 HB THR A 23 -10.870 7.295 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.858 9.328 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.630 8.468 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.710 6.702 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.389 7.624 -1.008 1.00 0.00 H new ATOM 350 N PHE A 24 -9.775 4.638 -4.895 1.00 0.00 N ATOM 351 CA PHE A 24 -9.549 4.013 -6.175 1.00 0.00 C ATOM 352 C PHE A 24 -10.877 3.546 -6.719 1.00 0.00 C ATOM 353 O PHE A 24 -11.890 3.591 -6.006 1.00 0.00 O ATOM 354 CB PHE A 24 -8.578 2.811 -6.024 1.00 0.00 C ATOM 355 CG PHE A 24 -9.079 1.734 -5.087 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.963 1.880 -3.714 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.684 0.588 -5.578 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.437 0.917 -2.870 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.150 -0.375 -4.728 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.027 -0.208 -3.375 1.00 0.00 C ATOM 0 H PHE A 24 -10.591 4.281 -4.398 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.097 4.728 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.403 2.372 -7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.617 3.176 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.493 2.764 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.788 0.455 -6.645 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.346 1.044 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.615 -1.266 -5.123 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.398 -0.968 -2.704 1.00 0.00 H new ATOM 370 N ASP A 25 -10.893 3.122 -7.945 1.00 0.00 N ATOM 371 CA ASP A 25 -12.097 2.595 -8.550 1.00 0.00 C ATOM 372 C ASP A 25 -12.027 1.081 -8.587 1.00 0.00 C ATOM 373 O ASP A 25 -10.971 0.508 -8.888 1.00 0.00 O ATOM 374 CB ASP A 25 -12.287 3.144 -9.966 1.00 0.00 C ATOM 375 CG ASP A 25 -13.515 2.575 -10.633 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.633 3.035 -10.337 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.386 1.649 -11.459 1.00 0.00 O ATOM 0 H ASP A 25 -10.080 3.127 -8.560 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.951 2.907 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.367 4.230 -9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.408 2.911 -10.566 1.00 0.00 H new ATOM 382 N GLY A 26 -13.119 0.437 -8.282 1.00 0.00 N ATOM 383 CA GLY A 26 -13.151 -0.996 -8.286 1.00 0.00 C ATOM 384 C GLY A 26 -13.265 -1.535 -6.897 1.00 0.00 C ATOM 385 O GLY A 26 -13.418 -0.781 -5.957 1.00 0.00 O ATOM 0 H GLY A 26 -14.000 0.884 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.994 -1.342 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.246 -1.382 -8.756 1.00 0.00 H new ATOM 389 N LEU A 27 -13.182 -2.818 -6.753 1.00 0.00 N ATOM 390 CA LEU A 27 -13.308 -3.446 -5.456 1.00 0.00 C ATOM 391 C LEU A 27 -11.925 -3.516 -4.804 1.00 0.00 C ATOM 392 O LEU A 27 -11.781 -3.399 -3.570 1.00 0.00 O ATOM 393 CB LEU A 27 -13.954 -4.858 -5.638 1.00 0.00 C ATOM 394 CG LEU A 27 -14.447 -5.643 -4.384 1.00 0.00 C ATOM 395 CD1 LEU A 27 -13.312 -6.185 -3.534 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.369 -4.780 -3.542 1.00 0.00 C ATOM 0 H LEU A 27 -13.025 -3.469 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.956 -2.868 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.806 -4.744 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.227 -5.486 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.998 -6.506 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.722 -6.720 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.704 -6.865 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.694 -5.359 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.702 -5.345 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.834 -3.889 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.234 -4.485 -4.136 1.00 0.00 H new ATOM 408 N HIS A 28 -10.912 -3.645 -5.634 1.00 0.00 N ATOM 409 CA HIS A 28 -9.550 -3.823 -5.165 1.00 0.00 C ATOM 410 C HIS A 28 -8.520 -3.211 -6.072 1.00 0.00 C ATOM 411 O HIS A 28 -8.767 -2.991 -7.260 1.00 0.00 O ATOM 412 CB HIS A 28 -9.223 -5.302 -4.877 1.00 0.00 C ATOM 413 CG HIS A 28 -9.853 -6.307 -5.791 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.499 -7.426 -5.327 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.923 -6.361 -7.138 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.940 -8.114 -6.380 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.614 -7.503 -7.515 1.00 0.00 N ATOM 0 H HIS A 28 -11.006 -3.630 -6.650 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.498 -3.277 -4.223 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.141 -5.429 -4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.529 -5.528 -3.856 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.507 -5.630 -7.815 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.488 -9.043 -6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.827 -7.810 -8.464 1.00 0.00 H new ATOM 425 N ILE A 29 -7.377 -2.937 -5.502 1.00 0.00 N ATOM 426 CA ILE A 29 -6.282 -2.349 -6.207 1.00 0.00 C ATOM 427 C ILE A 29 -5.054 -3.254 -6.126 1.00 0.00 C ATOM 428 O ILE A 29 -4.693 -3.732 -5.050 1.00 0.00 O ATOM 429 CB ILE A 29 -5.984 -0.890 -5.695 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.718 -0.321 -6.341 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.885 -0.836 -4.171 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.559 1.189 -6.190 1.00 0.00 C ATOM 0 H ILE A 29 -7.183 -3.121 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.555 -2.256 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.827 -0.267 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.849 -0.811 -5.903 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.723 -0.570 -7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.679 0.187 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.827 -1.168 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.079 -1.489 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.637 1.508 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.407 1.692 -6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.519 1.447 -5.132 1.00 0.00 H new ATOM 444 N SER A 30 -4.476 -3.542 -7.270 1.00 0.00 N ATOM 445 CA SER A 30 -3.293 -4.373 -7.360 1.00 0.00 C ATOM 446 C SER A 30 -2.117 -3.698 -6.650 1.00 0.00 C ATOM 447 O SER A 30 -2.019 -2.481 -6.631 1.00 0.00 O ATOM 448 CB SER A 30 -2.967 -4.642 -8.825 1.00 0.00 C ATOM 449 OG SER A 30 -4.115 -5.149 -9.503 1.00 0.00 O ATOM 0 H SER A 30 -4.814 -3.205 -8.171 1.00 0.00 H new ATOM 0 HA SER A 30 -3.481 -5.326 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.630 -3.723 -9.304 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.148 -5.358 -8.897 1.00 0.00 H new ATOM 0 HG SER A 30 -3.893 -5.316 -10.443 1.00 0.00 H new ATOM 455 N LEU A 31 -1.253 -4.495 -6.069 1.00 0.00 N ATOM 456 CA LEU A 31 -0.126 -4.034 -5.282 1.00 0.00 C ATOM 457 C LEU A 31 0.797 -3.122 -6.071 1.00 0.00 C ATOM 458 O LEU A 31 1.257 -2.118 -5.549 1.00 0.00 O ATOM 459 CB LEU A 31 0.651 -5.220 -4.706 1.00 0.00 C ATOM 460 CG LEU A 31 1.811 -4.861 -3.794 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.316 -4.057 -2.639 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.508 -6.090 -3.291 1.00 0.00 C ATOM 0 H LEU A 31 -1.313 -5.511 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.531 -3.444 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.043 -5.851 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.034 -5.818 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 31 2.526 -4.275 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.152 -3.802 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.850 -3.142 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.584 -4.638 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.333 -5.800 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.803 -6.704 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.895 -6.660 -4.136 1.00 0.00 H new ATOM 474 N CYS A 32 1.072 -3.485 -7.310 1.00 0.00 N ATOM 475 CA CYS A 32 1.875 -2.668 -8.205 1.00 0.00 C ATOM 476 C CYS A 32 1.282 -1.269 -8.286 1.00 0.00 C ATOM 477 O CYS A 32 1.987 -0.283 -8.138 1.00 0.00 O ATOM 478 CB CYS A 32 1.926 -3.301 -9.603 1.00 0.00 C ATOM 479 SG CYS A 32 2.979 -2.430 -10.789 1.00 0.00 S ATOM 0 H CYS A 32 0.745 -4.357 -7.727 1.00 0.00 H new ATOM 0 HA CYS A 32 2.891 -2.607 -7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.280 -4.328 -9.509 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.913 -3.348 -10.003 1.00 0.00 H new ATOM 0 HG CYS A 32 2.950 -3.049 -11.932 1.00 0.00 H new ATOM 485 N ASP A 33 -0.027 -1.208 -8.435 1.00 0.00 N ATOM 486 CA ASP A 33 -0.740 0.050 -8.513 1.00 0.00 C ATOM 487 C ASP A 33 -0.682 0.743 -7.178 1.00 0.00 C ATOM 488 O ASP A 33 -0.258 1.888 -7.076 1.00 0.00 O ATOM 489 CB ASP A 33 -2.211 -0.194 -8.879 1.00 0.00 C ATOM 490 CG ASP A 33 -2.415 -0.737 -10.253 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.387 0.039 -11.221 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.638 -1.947 -10.399 1.00 0.00 O ATOM 0 H ASP A 33 -0.626 -2.031 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.274 0.669 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.643 -0.888 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.758 0.744 -8.786 1.00 0.00 H new ATOM 497 N LEU A 34 -1.015 -0.009 -6.150 1.00 0.00 N ATOM 498 CA LEU A 34 -1.121 0.494 -4.791 1.00 0.00 C ATOM 499 C LEU A 34 0.183 1.095 -4.282 1.00 0.00 C ATOM 500 O LEU A 34 0.180 2.187 -3.718 1.00 0.00 O ATOM 501 CB LEU A 34 -1.701 -0.601 -3.858 1.00 0.00 C ATOM 502 CG LEU A 34 -1.722 -0.322 -2.349 1.00 0.00 C ATOM 503 CD1 LEU A 34 -2.888 -1.042 -1.705 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.437 -0.829 -1.718 1.00 0.00 C ATOM 0 H LEU A 34 -1.224 -1.004 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.824 1.327 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.724 -0.803 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.131 -1.516 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.819 0.753 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.895 -0.838 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.821 -0.692 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.789 -2.115 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.454 -0.630 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.348 -1.902 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.415 -0.319 -2.168 1.00 0.00 H new ATOM 516 N LYS A 35 1.289 0.410 -4.506 1.00 0.00 N ATOM 517 CA LYS A 35 2.580 0.907 -4.073 1.00 0.00 C ATOM 518 C LYS A 35 2.919 2.206 -4.775 1.00 0.00 C ATOM 519 O LYS A 35 3.392 3.132 -4.148 1.00 0.00 O ATOM 520 CB LYS A 35 3.697 -0.098 -4.293 1.00 0.00 C ATOM 521 CG LYS A 35 3.554 -1.389 -3.512 1.00 0.00 C ATOM 522 CD LYS A 35 4.760 -2.303 -3.708 1.00 0.00 C ATOM 523 CE LYS A 35 4.997 -2.729 -5.152 1.00 0.00 C ATOM 524 NZ LYS A 35 6.257 -3.509 -5.286 1.00 0.00 N ATOM 0 H LYS A 35 1.319 -0.490 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 35 2.499 1.081 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.748 -0.336 -5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.645 0.369 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.437 -1.162 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.649 -1.908 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.651 -1.793 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.628 -3.195 -3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.156 -3.330 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.043 -1.847 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.543 -3.538 -6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.007 -3.057 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.104 -4.478 -4.942 1.00 0.00 H new ATOM 538 N LYS A 36 2.631 2.282 -6.073 1.00 0.00 N ATOM 539 CA LYS A 36 2.885 3.502 -6.849 1.00 0.00 C ATOM 540 C LYS A 36 2.070 4.665 -6.292 1.00 0.00 C ATOM 541 O LYS A 36 2.568 5.799 -6.196 1.00 0.00 O ATOM 542 CB LYS A 36 2.557 3.300 -8.342 1.00 0.00 C ATOM 543 CG LYS A 36 3.696 2.769 -9.248 1.00 0.00 C ATOM 544 CD LYS A 36 4.350 1.497 -8.724 1.00 0.00 C ATOM 545 CE LYS A 36 5.200 0.811 -9.794 1.00 0.00 C ATOM 546 NZ LYS A 36 6.297 1.661 -10.312 1.00 0.00 N ATOM 0 H LYS A 36 2.223 1.518 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 36 3.947 3.732 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.717 2.609 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.220 4.254 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.297 2.579 -10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.457 3.543 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.974 1.738 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.579 0.809 -8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.624 -0.103 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.557 0.516 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.874 1.113 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.895 2.489 -10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.893 1.978 -9.521 1.00 0.00 H new ATOM 560 N GLN A 37 0.839 4.372 -5.881 1.00 0.00 N ATOM 561 CA GLN A 37 -0.038 5.379 -5.316 1.00 0.00 C ATOM 562 C GLN A 37 0.507 5.835 -3.956 1.00 0.00 C ATOM 563 O GLN A 37 0.700 7.027 -3.719 1.00 0.00 O ATOM 564 CB GLN A 37 -1.473 4.829 -5.133 1.00 0.00 C ATOM 565 CG GLN A 37 -2.083 4.207 -6.390 1.00 0.00 C ATOM 566 CD GLN A 37 -2.232 5.165 -7.557 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.115 4.768 -8.710 1.00 0.00 O ATOM 568 NE2 GLN A 37 -2.566 6.392 -7.282 1.00 0.00 N ATOM 0 H GLN A 37 0.430 3.439 -5.932 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.075 6.223 -6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.462 4.080 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.118 5.640 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.462 3.367 -6.703 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.064 3.803 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.655 6.691 -6.311 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.739 7.055 -8.038 1.00 0.00 H new ATOM 577 N ILE A 38 0.814 4.870 -3.104 1.00 0.00 N ATOM 578 CA ILE A 38 1.250 5.138 -1.733 1.00 0.00 C ATOM 579 C ILE A 38 2.656 5.753 -1.656 1.00 0.00 C ATOM 580 O ILE A 38 2.900 6.670 -0.856 1.00 0.00 O ATOM 581 CB ILE A 38 1.143 3.871 -0.849 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.321 3.417 -0.773 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.702 4.121 0.545 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.540 2.177 0.055 1.00 0.00 C ATOM 0 H ILE A 38 0.770 3.878 -3.338 1.00 0.00 H new ATOM 0 HA ILE A 38 0.565 5.889 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 38 1.740 3.080 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.920 4.228 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.686 3.235 -1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.612 3.213 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.752 4.404 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.142 4.925 1.023 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.600 1.924 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.030 1.350 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.208 2.359 1.077 1.00 0.00 H new ATOM 596 N MET A 39 3.571 5.293 -2.497 1.00 0.00 N ATOM 597 CA MET A 39 4.921 5.861 -2.510 1.00 0.00 C ATOM 598 C MET A 39 4.868 7.307 -2.943 1.00 0.00 C ATOM 599 O MET A 39 5.632 8.137 -2.465 1.00 0.00 O ATOM 600 CB MET A 39 5.901 5.055 -3.377 1.00 0.00 C ATOM 601 CG MET A 39 6.147 3.648 -2.856 1.00 0.00 C ATOM 602 SD MET A 39 7.393 2.728 -3.785 1.00 0.00 S ATOM 603 CE MET A 39 6.626 2.636 -5.399 1.00 0.00 C ATOM 0 H MET A 39 3.413 4.542 -3.169 1.00 0.00 H new ATOM 0 HA MET A 39 5.307 5.806 -1.492 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.512 4.996 -4.394 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.851 5.587 -3.430 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.457 3.707 -1.813 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.209 3.094 -2.879 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.209 1.976 -6.042 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.614 2.244 -5.299 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.587 3.632 -5.841 1.00 0.00 H new ATOM 613 N GLY A 40 3.942 7.611 -3.822 1.00 0.00 N ATOM 614 CA GLY A 40 3.740 8.975 -4.219 1.00 0.00 C ATOM 615 C GLY A 40 3.064 9.774 -3.128 1.00 0.00 C ATOM 616 O GLY A 40 3.378 10.930 -2.922 1.00 0.00 O ATOM 0 H GLY A 40 3.324 6.935 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.700 9.430 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.133 9.006 -5.124 1.00 0.00 H new ATOM 620 N ARG A 41 2.172 9.125 -2.418 1.00 0.00 N ATOM 621 CA ARG A 41 1.381 9.725 -1.346 1.00 0.00 C ATOM 622 C ARG A 41 2.262 10.252 -0.214 1.00 0.00 C ATOM 623 O ARG A 41 2.146 11.412 0.181 1.00 0.00 O ATOM 624 CB ARG A 41 0.409 8.672 -0.804 1.00 0.00 C ATOM 625 CG ARG A 41 -0.410 9.078 0.409 1.00 0.00 C ATOM 626 CD ARG A 41 -1.393 10.190 0.115 1.00 0.00 C ATOM 627 NE ARG A 41 -2.263 10.430 1.273 1.00 0.00 N ATOM 628 CZ ARG A 41 -2.772 11.606 1.633 1.00 0.00 C ATOM 629 NH1 ARG A 41 -2.474 12.716 0.958 1.00 0.00 N ATOM 630 NH2 ARG A 41 -3.558 11.677 2.694 1.00 0.00 N ATOM 0 H ARG A 41 1.964 8.138 -2.567 1.00 0.00 H new ATOM 0 HA ARG A 41 0.835 10.576 -1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.278 8.395 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.979 7.778 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.953 8.209 0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.263 9.397 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.853 11.103 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.998 9.928 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.498 9.624 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.848 12.671 0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.872 13.610 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.770 10.835 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.953 12.574 2.977 1.00 0.00 H new ATOM 644 N GLU A 42 3.155 9.416 0.279 1.00 0.00 N ATOM 645 CA GLU A 42 3.995 9.786 1.422 1.00 0.00 C ATOM 646 C GLU A 42 5.327 10.345 0.983 1.00 0.00 C ATOM 647 O GLU A 42 6.148 10.742 1.809 1.00 0.00 O ATOM 648 CB GLU A 42 4.238 8.607 2.317 1.00 0.00 C ATOM 649 CG GLU A 42 2.999 8.068 3.039 1.00 0.00 C ATOM 650 CD GLU A 42 2.417 9.046 4.051 1.00 0.00 C ATOM 651 OE1 GLU A 42 3.069 9.326 5.076 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.292 9.548 3.862 1.00 0.00 O ATOM 0 H GLU A 42 3.324 8.478 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 42 3.451 10.557 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.670 7.803 1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.981 8.886 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.235 7.823 2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.259 7.140 3.549 1.00 0.00 H new ATOM 659 N LYS A 43 5.514 10.383 -0.316 1.00 0.00 N ATOM 660 CA LYS A 43 6.717 10.904 -0.982 1.00 0.00 C ATOM 661 C LYS A 43 7.922 10.027 -0.668 1.00 0.00 C ATOM 662 O LYS A 43 8.813 10.410 0.100 1.00 0.00 O ATOM 663 CB LYS A 43 7.046 12.392 -0.629 1.00 0.00 C ATOM 664 CG LYS A 43 5.849 13.300 -0.334 1.00 0.00 C ATOM 665 CD LYS A 43 4.741 13.196 -1.359 1.00 0.00 C ATOM 666 CE LYS A 43 5.167 13.653 -2.745 1.00 0.00 C ATOM 667 NZ LYS A 43 5.579 15.065 -2.758 1.00 0.00 N ATOM 0 H LYS A 43 4.814 10.042 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 43 6.496 10.879 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.704 12.400 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.607 12.824 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.448 13.050 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.191 14.334 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.399 12.162 -1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.892 13.795 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.992 13.032 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.342 13.510 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.682 15.388 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.858 15.641 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.488 15.166 -2.264 1.00 0.00 H new ATOM 681 N LEU A 44 7.905 8.838 -1.182 1.00 0.00 N ATOM 682 CA LEU A 44 8.997 7.918 -0.990 1.00 0.00 C ATOM 683 C LEU A 44 9.967 7.957 -2.136 1.00 0.00 C ATOM 684 O LEU A 44 9.620 8.379 -3.246 1.00 0.00 O ATOM 685 CB LEU A 44 8.531 6.471 -0.825 1.00 0.00 C ATOM 686 CG LEU A 44 8.178 6.006 0.576 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.899 6.642 1.070 1.00 0.00 C ATOM 688 CD2 LEU A 44 8.104 4.492 0.612 1.00 0.00 C ATOM 0 H LEU A 44 7.139 8.472 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 44 9.483 8.246 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.656 6.325 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.316 5.819 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 44 8.966 6.329 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.680 6.284 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.015 7.726 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.079 6.375 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.850 4.164 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.339 4.148 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.069 4.074 0.326 1.00 0.00 H new ATOM 700 N LYS A 45 11.178 7.517 -1.868 1.00 0.00 N ATOM 701 CA LYS A 45 12.145 7.318 -2.904 1.00 0.00 C ATOM 702 C LYS A 45 11.908 5.917 -3.488 1.00 0.00 C ATOM 703 O LYS A 45 12.302 4.899 -2.917 1.00 0.00 O ATOM 704 CB LYS A 45 13.587 7.519 -2.378 1.00 0.00 C ATOM 705 CG LYS A 45 13.935 6.766 -1.099 1.00 0.00 C ATOM 706 CD LYS A 45 15.430 6.835 -0.797 1.00 0.00 C ATOM 707 CE LYS A 45 15.931 8.233 -0.449 1.00 0.00 C ATOM 708 NZ LYS A 45 15.453 8.695 0.860 1.00 0.00 N ATOM 0 H LYS A 45 11.510 7.291 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 45 12.028 8.061 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.284 7.214 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.746 8.583 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.375 7.187 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.630 5.724 -1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.654 6.164 0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.982 6.468 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.021 8.236 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.606 8.933 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.822 9.649 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.413 8.719 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.785 8.044 1.600 1.00 0.00 H new ATOM 722 N ALA A 46 11.257 5.882 -4.617 1.00 0.00 N ATOM 723 CA ALA A 46 10.748 4.643 -5.188 1.00 0.00 C ATOM 724 C ALA A 46 11.787 3.855 -5.972 1.00 0.00 C ATOM 725 O ALA A 46 11.538 2.723 -6.390 1.00 0.00 O ATOM 726 CB ALA A 46 9.539 4.942 -6.051 1.00 0.00 C ATOM 0 H ALA A 46 11.058 6.710 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 46 10.465 4.003 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.158 4.014 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.763 5.406 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.824 5.621 -6.854 1.00 0.00 H new ATOM 732 N ALA A 47 12.941 4.426 -6.174 1.00 0.00 N ATOM 733 CA ALA A 47 13.970 3.736 -6.925 1.00 0.00 C ATOM 734 C ALA A 47 15.012 3.159 -5.997 1.00 0.00 C ATOM 735 O ALA A 47 15.809 2.315 -6.385 1.00 0.00 O ATOM 736 CB ALA A 47 14.610 4.649 -7.967 1.00 0.00 C ATOM 0 H ALA A 47 13.198 5.354 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 47 13.496 2.913 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.377 4.098 -8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.848 4.995 -8.665 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.063 5.507 -7.470 1.00 0.00 H new ATOM 742 N ASP A 48 14.970 3.582 -4.762 1.00 0.00 N ATOM 743 CA ASP A 48 15.968 3.178 -3.781 1.00 0.00 C ATOM 744 C ASP A 48 15.448 2.175 -2.783 1.00 0.00 C ATOM 745 O ASP A 48 16.230 1.522 -2.095 1.00 0.00 O ATOM 746 CB ASP A 48 16.495 4.375 -3.035 1.00 0.00 C ATOM 747 CG ASP A 48 17.493 5.200 -3.812 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.082 6.123 -4.572 1.00 0.00 O ATOM 749 OD2 ASP A 48 18.709 4.982 -3.646 1.00 0.00 O ATOM 0 H ASP A 48 14.254 4.211 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 48 16.766 2.700 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.656 5.011 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.963 4.036 -2.111 1.00 0.00 H new ATOM 754 N CYS A 49 14.161 2.041 -2.688 1.00 0.00 N ATOM 755 CA CYS A 49 13.570 1.134 -1.742 1.00 0.00 C ATOM 756 C CYS A 49 12.278 0.579 -2.300 1.00 0.00 C ATOM 757 O CYS A 49 11.806 1.047 -3.341 1.00 0.00 O ATOM 758 CB CYS A 49 13.360 1.828 -0.383 1.00 0.00 C ATOM 759 SG CYS A 49 12.315 3.308 -0.422 1.00 0.00 S ATOM 0 H CYS A 49 13.489 2.553 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 49 14.248 0.298 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.919 1.110 0.309 1.00 0.00 H new ATOM 0 HB3 CYS A 49 14.335 2.102 0.021 1.00 0.00 H new ATOM 0 HG CYS A 49 12.309 3.804 -1.624 1.00 0.00 H new ATOM 765 N ASP A 50 11.727 -0.407 -1.638 1.00 0.00 N ATOM 766 CA ASP A 50 10.512 -1.049 -2.085 1.00 0.00 C ATOM 767 C ASP A 50 9.466 -0.912 -1.015 1.00 0.00 C ATOM 768 O ASP A 50 9.777 -0.598 0.148 1.00 0.00 O ATOM 769 CB ASP A 50 10.763 -2.533 -2.397 1.00 0.00 C ATOM 770 CG ASP A 50 9.544 -3.270 -2.963 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.887 -2.756 -3.920 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.197 -4.344 -2.446 1.00 0.00 O ATOM 0 H ASP A 50 12.107 -0.789 -0.772 1.00 0.00 H new ATOM 0 HA ASP A 50 10.168 -0.568 -3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.583 -2.609 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.086 -3.035 -1.485 1.00 0.00 H new ATOM 777 N LEU A 51 8.260 -1.159 -1.370 1.00 0.00 N ATOM 778 CA LEU A 51 7.189 -1.014 -0.473 1.00 0.00 C ATOM 779 C LEU A 51 6.556 -2.380 -0.250 1.00 0.00 C ATOM 780 O LEU A 51 6.017 -2.978 -1.161 1.00 0.00 O ATOM 781 CB LEU A 51 6.197 0.001 -1.044 1.00 0.00 C ATOM 782 CG LEU A 51 5.173 0.536 -0.084 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.883 1.211 1.061 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.265 1.528 -0.770 1.00 0.00 C ATOM 0 H LEU A 51 7.991 -1.471 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 51 7.526 -0.638 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.761 0.842 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.674 -0.463 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 51 4.565 -0.290 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.148 1.603 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.522 0.489 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.493 2.030 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.531 1.903 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.857 2.359 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.750 1.039 -1.597 1.00 0.00 H new ATOM 796 N GLN A 52 6.661 -2.881 0.924 1.00 0.00 N ATOM 797 CA GLN A 52 6.141 -4.178 1.217 1.00 0.00 C ATOM 798 C GLN A 52 4.954 -4.041 2.142 1.00 0.00 C ATOM 799 O GLN A 52 5.078 -3.650 3.301 1.00 0.00 O ATOM 800 CB GLN A 52 7.219 -5.028 1.816 1.00 0.00 C ATOM 801 CG GLN A 52 6.878 -6.483 1.920 1.00 0.00 C ATOM 802 CD GLN A 52 7.981 -7.264 2.549 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.007 -7.439 3.757 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.914 -7.708 1.757 1.00 0.00 N ATOM 0 H GLN A 52 7.107 -2.411 1.712 1.00 0.00 H new ATOM 0 HA GLN A 52 5.803 -4.667 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.123 -4.922 1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.451 -4.650 2.812 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.967 -6.602 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.671 -6.880 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.853 -7.540 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.706 -8.224 2.141 1.00 0.00 H new ATOM 813 N ILE A 53 3.824 -4.352 1.630 1.00 0.00 N ATOM 814 CA ILE A 53 2.591 -4.136 2.322 1.00 0.00 C ATOM 815 C ILE A 53 2.242 -5.362 3.134 1.00 0.00 C ATOM 816 O ILE A 53 2.416 -6.475 2.678 1.00 0.00 O ATOM 817 CB ILE A 53 1.465 -3.839 1.311 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.910 -2.768 0.307 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.188 -3.411 2.007 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.306 -1.444 0.881 1.00 0.00 C ATOM 0 H ILE A 53 3.717 -4.770 0.706 1.00 0.00 H new ATOM 0 HA ILE A 53 2.701 -3.282 2.990 1.00 0.00 H new ATOM 0 HB ILE A 53 1.256 -4.763 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.754 -3.161 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.098 -2.605 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.582 -3.210 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.148 -4.207 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.375 -2.508 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.600 -0.771 0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.462 -1.015 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.144 -1.580 1.565 1.00 0.00 H new ATOM 832 N THR A 54 1.826 -5.166 4.333 1.00 0.00 N ATOM 833 CA THR A 54 1.428 -6.244 5.174 1.00 0.00 C ATOM 834 C THR A 54 -0.041 -6.063 5.518 1.00 0.00 C ATOM 835 O THR A 54 -0.509 -4.953 5.614 1.00 0.00 O ATOM 836 CB THR A 54 2.253 -6.229 6.460 1.00 0.00 C ATOM 837 OG1 THR A 54 3.645 -6.087 6.132 1.00 0.00 O ATOM 838 CG2 THR A 54 2.047 -7.508 7.246 1.00 0.00 C ATOM 0 H THR A 54 1.750 -4.245 4.765 1.00 0.00 H new ATOM 0 HA THR A 54 1.586 -7.193 4.662 1.00 0.00 H new ATOM 0 HB THR A 54 1.927 -5.389 7.073 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.176 -6.075 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.644 -7.475 8.157 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.993 -7.610 7.506 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.355 -8.361 6.641 1.00 0.00 H new ATOM 846 N ASN A 55 -0.766 -7.124 5.645 1.00 0.00 N ATOM 847 CA ASN A 55 -2.150 -7.032 6.045 1.00 0.00 C ATOM 848 C ASN A 55 -2.210 -6.722 7.535 1.00 0.00 C ATOM 849 O ASN A 55 -1.395 -7.224 8.279 1.00 0.00 O ATOM 850 CB ASN A 55 -2.845 -8.342 5.787 1.00 0.00 C ATOM 851 CG ASN A 55 -4.312 -8.205 5.838 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.894 -8.283 6.872 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.920 -8.045 4.747 1.00 0.00 N ATOM 0 H ASN A 55 -0.431 -8.073 5.479 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.643 -6.245 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.550 -8.723 4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.523 -9.076 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.938 -7.979 4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.395 -7.981 3.875 1.00 0.00 H new ATOM 860 N ALA A 56 -3.146 -5.894 7.969 1.00 0.00 N ATOM 861 CA ALA A 56 -3.260 -5.566 9.394 1.00 0.00 C ATOM 862 C ALA A 56 -4.088 -6.614 10.120 1.00 0.00 C ATOM 863 O ALA A 56 -3.893 -6.886 11.302 1.00 0.00 O ATOM 864 CB ALA A 56 -3.895 -4.196 9.578 1.00 0.00 C ATOM 0 H ALA A 56 -3.834 -5.438 7.369 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.256 -5.552 9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.971 -3.970 10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.279 -3.441 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.891 -4.194 9.134 1.00 0.00 H new ATOM 870 N GLN A 57 -4.961 -7.223 9.386 1.00 0.00 N ATOM 871 CA GLN A 57 -5.910 -8.172 9.907 1.00 0.00 C ATOM 872 C GLN A 57 -5.311 -9.574 9.995 1.00 0.00 C ATOM 873 O GLN A 57 -5.425 -10.241 11.026 1.00 0.00 O ATOM 874 CB GLN A 57 -7.124 -8.176 8.990 1.00 0.00 C ATOM 875 CG GLN A 57 -7.806 -6.826 8.878 1.00 0.00 C ATOM 876 CD GLN A 57 -8.697 -6.723 7.665 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.261 -6.278 6.601 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.921 -7.149 7.793 1.00 0.00 N ATOM 0 H GLN A 57 -5.042 -7.075 8.380 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.193 -7.880 10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.817 -8.502 7.996 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.844 -8.908 9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.399 -6.647 9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.049 -6.043 8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.244 -7.510 8.691 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.557 -7.122 6.996 1.00 0.00 H new ATOM 887 N THR A 58 -4.689 -10.015 8.923 1.00 0.00 N ATOM 888 CA THR A 58 -4.145 -11.353 8.860 1.00 0.00 C ATOM 889 C THR A 58 -2.652 -11.326 9.168 1.00 0.00 C ATOM 890 O THR A 58 -2.053 -12.346 9.533 1.00 0.00 O ATOM 891 CB THR A 58 -4.360 -11.952 7.442 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.549 -11.249 6.494 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.802 -11.782 7.013 1.00 0.00 C ATOM 0 H THR A 58 -4.547 -9.462 8.078 1.00 0.00 H new ATOM 0 HA THR A 58 -4.659 -11.970 9.597 1.00 0.00 H new ATOM 0 HB THR A 58 -4.095 -13.009 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.685 -11.629 5.601 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.938 -12.206 6.018 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.455 -12.296 7.719 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.053 -10.721 6.993 1.00 0.00 H new ATOM 901 N LYS A 59 -2.064 -10.136 9.011 1.00 0.00 N ATOM 902 CA LYS A 59 -0.628 -9.906 9.167 1.00 0.00 C ATOM 903 C LYS A 59 0.158 -10.734 8.170 1.00 0.00 C ATOM 904 O LYS A 59 1.238 -11.244 8.470 1.00 0.00 O ATOM 905 CB LYS A 59 -0.131 -10.119 10.614 1.00 0.00 C ATOM 906 CG LYS A 59 -0.780 -9.200 11.656 1.00 0.00 C ATOM 907 CD LYS A 59 -0.712 -7.713 11.271 1.00 0.00 C ATOM 908 CE LYS A 59 0.712 -7.155 11.119 1.00 0.00 C ATOM 909 NZ LYS A 59 1.447 -7.090 12.397 1.00 0.00 N ATOM 0 H LYS A 59 -2.583 -9.292 8.768 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.451 -8.852 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.315 -11.155 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.948 -9.969 10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.823 -9.488 11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.286 -9.344 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.246 -7.570 10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.237 -7.131 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.267 -7.779 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.660 -6.156 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.399 -6.706 12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.936 -6.473 13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.524 -8.045 12.802 1.00 0.00 H new ATOM 923 N GLU A 60 -0.394 -10.862 6.984 1.00 0.00 N ATOM 924 CA GLU A 60 0.250 -11.568 5.902 1.00 0.00 C ATOM 925 C GLU A 60 0.856 -10.521 4.968 1.00 0.00 C ATOM 926 O GLU A 60 0.191 -9.521 4.660 1.00 0.00 O ATOM 927 CB GLU A 60 -0.815 -12.398 5.181 1.00 0.00 C ATOM 928 CG GLU A 60 -0.319 -13.352 4.115 1.00 0.00 C ATOM 929 CD GLU A 60 -1.461 -14.143 3.529 1.00 0.00 C ATOM 930 OE1 GLU A 60 -1.905 -15.133 4.154 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.973 -13.779 2.450 1.00 0.00 O ATOM 0 H GLU A 60 -1.307 -10.477 6.743 1.00 0.00 H new ATOM 0 HA GLU A 60 1.037 -12.235 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.362 -12.974 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.528 -11.714 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.184 -12.793 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.418 -14.032 4.543 1.00 0.00 H new ATOM 938 N GLU A 61 2.102 -10.694 4.572 1.00 0.00 N ATOM 939 CA GLU A 61 2.734 -9.751 3.711 1.00 0.00 C ATOM 940 C GLU A 61 2.369 -9.967 2.247 1.00 0.00 C ATOM 941 O GLU A 61 2.114 -11.093 1.795 1.00 0.00 O ATOM 942 CB GLU A 61 4.262 -9.760 3.848 1.00 0.00 C ATOM 943 CG GLU A 61 4.842 -9.017 5.052 1.00 0.00 C ATOM 944 CD GLU A 61 4.968 -9.855 6.294 1.00 0.00 C ATOM 945 OE1 GLU A 61 3.981 -10.085 6.985 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.095 -10.309 6.595 1.00 0.00 O ATOM 0 H GLU A 61 2.686 -11.485 4.841 1.00 0.00 H new ATOM 0 HA GLU A 61 2.358 -8.779 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.595 -10.797 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.689 -9.328 2.943 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.826 -8.631 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.211 -8.156 5.271 1.00 0.00 H new ATOM 953 N TYR A 62 2.332 -8.886 1.532 1.00 0.00 N ATOM 954 CA TYR A 62 2.140 -8.886 0.115 1.00 0.00 C ATOM 955 C TYR A 62 3.469 -8.511 -0.502 1.00 0.00 C ATOM 956 O TYR A 62 3.875 -7.345 -0.462 1.00 0.00 O ATOM 957 CB TYR A 62 1.069 -7.868 -0.295 1.00 0.00 C ATOM 958 CG TYR A 62 -0.250 -8.069 0.396 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.153 -8.995 -0.075 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.588 -7.333 1.521 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.359 -9.187 0.548 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.791 -7.519 2.153 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.677 -8.445 1.663 1.00 0.00 C ATOM 964 OH TYR A 62 -3.885 -8.630 2.293 1.00 0.00 O ATOM 0 H TYR A 62 2.438 -7.953 1.929 1.00 0.00 H new ATOM 0 HA TYR A 62 1.802 -9.865 -0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.433 -6.864 -0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.917 -7.927 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.908 -9.580 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.107 -6.601 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.057 -9.917 0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.039 -6.940 3.031 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.177 -9.558 2.175 1.00 0.00 H new ATOM 974 N THR A 63 4.176 -9.492 -0.981 1.00 0.00 N ATOM 975 CA THR A 63 5.498 -9.283 -1.530 1.00 0.00 C ATOM 976 C THR A 63 5.475 -9.177 -3.055 1.00 0.00 C ATOM 977 O THR A 63 6.319 -8.518 -3.663 1.00 0.00 O ATOM 978 CB THR A 63 6.438 -10.424 -1.088 1.00 0.00 C ATOM 979 OG1 THR A 63 5.803 -11.701 -1.341 1.00 0.00 O ATOM 980 CG2 THR A 63 6.768 -10.311 0.394 1.00 0.00 C ATOM 0 H THR A 63 3.859 -10.461 -1.006 1.00 0.00 H new ATOM 0 HA THR A 63 5.870 -8.334 -1.144 1.00 0.00 H new ATOM 0 HB THR A 63 7.364 -10.348 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.401 -12.425 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.432 -11.126 0.682 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.260 -9.357 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.849 -10.368 0.977 1.00 0.00 H new ATOM 988 N ASP A 64 4.496 -9.805 -3.660 1.00 0.00 N ATOM 989 CA ASP A 64 4.385 -9.826 -5.107 1.00 0.00 C ATOM 990 C ASP A 64 3.548 -8.674 -5.552 1.00 0.00 C ATOM 991 O ASP A 64 2.438 -8.519 -5.083 1.00 0.00 O ATOM 992 CB ASP A 64 3.735 -11.122 -5.589 1.00 0.00 C ATOM 993 CG ASP A 64 4.502 -12.349 -5.195 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.564 -12.618 -5.786 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.060 -13.069 -4.268 1.00 0.00 O ATOM 0 H ASP A 64 3.758 -10.313 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 64 5.388 -9.758 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.725 -11.187 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.642 -11.092 -6.675 1.00 0.00 H new ATOM 1000 N ASP A 65 4.039 -7.887 -6.493 1.00 0.00 N ATOM 1001 CA ASP A 65 3.313 -6.681 -6.967 1.00 0.00 C ATOM 1002 C ASP A 65 2.033 -7.014 -7.702 1.00 0.00 C ATOM 1003 O ASP A 65 1.239 -6.131 -8.028 1.00 0.00 O ATOM 1004 CB ASP A 65 4.180 -5.752 -7.816 1.00 0.00 C ATOM 1005 CG ASP A 65 4.607 -6.329 -9.154 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.486 -7.208 -9.184 1.00 0.00 O ATOM 1007 OD2 ASP A 65 4.110 -5.859 -10.197 1.00 0.00 O ATOM 0 H ASP A 65 4.935 -8.045 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 65 3.048 -6.146 -6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.632 -4.827 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.072 -5.490 -7.247 1.00 0.00 H new ATOM 1012 N ASN A 66 1.813 -8.269 -7.926 1.00 0.00 N ATOM 1013 CA ASN A 66 0.618 -8.709 -8.575 1.00 0.00 C ATOM 1014 C ASN A 66 -0.434 -9.112 -7.552 1.00 0.00 C ATOM 1015 O ASN A 66 -1.533 -9.528 -7.912 1.00 0.00 O ATOM 1016 CB ASN A 66 0.913 -9.813 -9.598 1.00 0.00 C ATOM 1017 CG ASN A 66 1.702 -9.277 -10.792 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.125 -8.847 -11.797 1.00 0.00 O ATOM 1019 ND2 ASN A 66 3.007 -9.254 -10.690 1.00 0.00 N ATOM 0 H ASN A 66 2.455 -9.018 -7.665 1.00 0.00 H new ATOM 0 HA ASN A 66 0.203 -7.875 -9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.477 -10.613 -9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.024 -10.247 -9.946 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.571 -8.875 -11.450 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.459 -9.615 -9.850 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.097 -8.959 -6.262 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.054 -9.184 -5.187 1.00 0.00 C ATOM 1028 C ALA A 67 -2.075 -8.061 -5.219 1.00 0.00 C ATOM 1029 O ALA A 67 -1.783 -7.002 -5.718 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.357 -9.235 -3.829 1.00 0.00 C ATOM 0 H ALA A 67 0.832 -8.680 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.546 -10.146 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.097 -9.404 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.370 -10.048 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.154 -8.290 -3.647 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.259 -8.294 -4.765 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.286 -7.267 -4.810 1.00 0.00 C ATOM 1038 C LEU A 68 -4.773 -6.902 -3.410 1.00 0.00 C ATOM 1039 O LEU A 68 -4.912 -7.785 -2.552 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.434 -7.713 -5.724 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.304 -8.852 -5.202 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.477 -8.307 -4.437 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.740 -9.779 -6.312 1.00 0.00 C ATOM 0 H LEU A 68 -3.556 -9.180 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.854 -6.359 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.075 -6.852 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.012 -8.015 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.702 -9.450 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.088 -9.132 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.119 -7.718 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.076 -7.674 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.358 -10.576 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.316 -9.219 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.862 -10.212 -6.791 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.974 -5.628 -3.143 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.536 -5.235 -1.869 1.00 0.00 C ATOM 1057 C ILE A 69 -6.903 -4.554 -2.077 1.00 0.00 C ATOM 1058 O ILE A 69 -7.011 -3.545 -2.769 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.602 -4.321 -0.991 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.276 -5.018 -0.625 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.313 -3.864 0.282 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.217 -5.002 -1.704 1.00 0.00 C ATOM 0 H ILE A 69 -4.761 -4.860 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.653 -6.160 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.366 -3.449 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.869 -4.542 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.490 -6.055 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.643 -3.235 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.205 -3.296 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.600 -4.735 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.325 -5.517 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.596 -5.506 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.965 -3.971 -1.952 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.961 -5.156 -1.546 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.319 -4.606 -1.603 1.00 0.00 C ATOM 1076 C PRO A 70 -9.595 -3.529 -0.568 1.00 0.00 C ATOM 1077 O PRO A 70 -8.927 -3.440 0.460 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.188 -5.815 -1.313 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.337 -6.689 -0.459 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.930 -6.469 -0.890 1.00 0.00 C ATOM 0 HA PRO A 70 -9.499 -4.119 -2.561 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.106 -5.530 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.482 -6.322 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.462 -6.440 0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.618 -7.736 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.247 -6.475 -0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.595 -7.249 -1.574 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.642 -2.746 -0.826 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.097 -1.694 0.097 1.00 0.00 C ATOM 1090 C LYS A 71 -11.659 -2.289 1.373 1.00 0.00 C ATOM 1091 O LYS A 71 -11.831 -1.600 2.374 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.162 -0.804 -0.547 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.328 -1.551 -1.160 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.469 -0.609 -1.477 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.631 -1.316 -2.137 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.704 -0.374 -2.510 1.00 0.00 N ATOM 0 H LYS A 71 -11.200 -2.819 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.223 -1.088 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.545 -0.116 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.690 -0.198 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.004 -2.054 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.671 -2.325 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.811 -0.134 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.110 0.185 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.281 -1.839 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.029 -2.071 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.530 -0.529 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.365 0.602 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.974 -0.531 -3.502 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.957 -3.562 1.314 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.486 -4.298 2.448 1.00 0.00 C ATOM 1112 C ASN A 72 -11.405 -4.481 3.489 1.00 0.00 C ATOM 1113 O ASN A 72 -11.678 -4.576 4.676 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.990 -5.686 2.005 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.160 -5.643 1.037 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.980 -4.728 1.068 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.246 -6.624 0.173 1.00 0.00 N ATOM 0 H ASN A 72 -11.840 -4.127 0.473 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.317 -3.730 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.167 -6.227 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.284 -6.252 2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.011 -6.644 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.548 -7.368 0.175 1.00 0.00 H new ATOM 1124 N SER A 73 -10.181 -4.463 3.047 1.00 0.00 N ATOM 1125 CA SER A 73 -9.078 -4.756 3.895 1.00 0.00 C ATOM 1126 C SER A 73 -8.404 -3.496 4.416 1.00 0.00 C ATOM 1127 O SER A 73 -8.592 -2.393 3.887 1.00 0.00 O ATOM 1128 CB SER A 73 -8.089 -5.615 3.125 1.00 0.00 C ATOM 1129 OG SER A 73 -8.723 -6.808 2.691 1.00 0.00 O ATOM 0 H SER A 73 -9.926 -4.243 2.084 1.00 0.00 H new ATOM 0 HA SER A 73 -9.444 -5.295 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.706 -5.063 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.234 -5.856 3.757 1.00 0.00 H new ATOM 0 HG SER A 73 -8.081 -7.357 2.194 1.00 0.00 H new ATOM 1135 N SER A 74 -7.682 -3.661 5.489 1.00 0.00 N ATOM 1136 CA SER A 74 -6.873 -2.623 6.041 1.00 0.00 C ATOM 1137 C SER A 74 -5.454 -3.168 6.125 1.00 0.00 C ATOM 1138 O SER A 74 -5.233 -4.286 6.630 1.00 0.00 O ATOM 1139 CB SER A 74 -7.416 -2.207 7.404 1.00 0.00 C ATOM 1140 OG SER A 74 -8.805 -1.912 7.286 1.00 0.00 O ATOM 0 H SER A 74 -7.642 -4.537 6.010 1.00 0.00 H new ATOM 0 HA SER A 74 -6.883 -1.727 5.421 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.262 -3.006 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.877 -1.334 7.772 1.00 0.00 H new ATOM 0 HG SER A 74 -9.158 -1.646 8.160 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.515 -2.442 5.589 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.163 -2.928 5.482 1.00 0.00 C ATOM 1148 C VAL A 75 -2.137 -1.977 6.115 1.00 0.00 C ATOM 1149 O VAL A 75 -2.373 -0.778 6.260 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.786 -3.270 3.994 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.590 -4.462 3.488 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.029 -2.087 3.062 1.00 0.00 C ATOM 0 H VAL A 75 -4.660 -1.504 5.216 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.125 -3.853 6.057 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.723 -3.512 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.311 -4.678 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.381 -5.332 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.654 -4.229 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.756 -2.364 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.083 -1.810 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.422 -1.240 3.383 1.00 0.00 H new ATOM 1162 N ILE A 76 -1.024 -2.537 6.511 1.00 0.00 N ATOM 1163 CA ILE A 76 0.068 -1.808 7.103 1.00 0.00 C ATOM 1164 C ILE A 76 1.131 -1.692 6.032 1.00 0.00 C ATOM 1165 O ILE A 76 1.511 -2.687 5.410 1.00 0.00 O ATOM 1166 CB ILE A 76 0.675 -2.552 8.341 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.419 -2.954 9.344 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.720 -1.676 9.043 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -1.211 -1.790 9.911 1.00 0.00 C ATOM 0 H ILE A 76 -0.847 -3.538 6.429 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.287 -0.839 7.455 1.00 0.00 H new ATOM 0 HB ILE A 76 1.157 -3.457 7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.108 -3.642 8.854 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.043 -3.498 10.168 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.128 -2.212 9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.524 -1.440 8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.251 -0.752 9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.960 -2.165 10.609 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.537 -1.111 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.706 -1.257 9.099 1.00 0.00 H new ATOM 1181 N VAL A 77 1.576 -0.518 5.793 1.00 0.00 N ATOM 1182 CA VAL A 77 2.512 -0.265 4.749 1.00 0.00 C ATOM 1183 C VAL A 77 3.927 -0.162 5.317 1.00 0.00 C ATOM 1184 O VAL A 77 4.248 0.787 6.045 1.00 0.00 O ATOM 1185 CB VAL A 77 2.135 1.031 4.023 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.071 1.304 2.899 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.709 0.971 3.526 1.00 0.00 C ATOM 0 H VAL A 77 1.301 0.311 6.320 1.00 0.00 H new ATOM 0 HA VAL A 77 2.486 -1.092 4.040 1.00 0.00 H new ATOM 0 HB VAL A 77 2.215 1.851 4.736 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.781 2.229 2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.085 1.403 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.033 0.480 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.463 1.901 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.600 0.136 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.035 0.833 4.371 1.00 0.00 H new ATOM 1197 N ARG A 78 4.749 -1.133 4.990 1.00 0.00 N ATOM 1198 CA ARG A 78 6.110 -1.197 5.472 1.00 0.00 C ATOM 1199 C ARG A 78 7.080 -0.941 4.323 1.00 0.00 C ATOM 1200 O ARG A 78 6.951 -1.512 3.253 1.00 0.00 O ATOM 1201 CB ARG A 78 6.372 -2.577 6.124 1.00 0.00 C ATOM 1202 CG ARG A 78 7.786 -2.771 6.659 1.00 0.00 C ATOM 1203 CD ARG A 78 7.936 -4.076 7.451 1.00 0.00 C ATOM 1204 NE ARG A 78 7.787 -5.308 6.648 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.649 -6.544 7.189 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.530 -6.684 8.502 1.00 0.00 N ATOM 1207 NH2 ARG A 78 7.630 -7.627 6.415 1.00 0.00 N ATOM 0 H ARG A 78 4.490 -1.906 4.377 1.00 0.00 H new ATOM 0 HA ARG A 78 6.265 -0.427 6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.666 -2.717 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.166 -3.356 5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.490 -2.771 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.049 -1.928 7.299 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.917 -4.085 7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.194 -4.087 8.250 1.00 0.00 H new ATOM 0 HE ARG A 78 7.788 -5.224 5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.542 -5.862 9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.426 -7.614 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.720 -7.532 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.526 -8.551 6.834 1.00 0.00 H new ATOM 1221 N ARG A 79 8.018 -0.067 4.529 1.00 0.00 N ATOM 1222 CA ARG A 79 9.016 0.213 3.520 1.00 0.00 C ATOM 1223 C ARG A 79 10.180 -0.734 3.736 1.00 0.00 C ATOM 1224 O ARG A 79 10.702 -0.830 4.852 1.00 0.00 O ATOM 1225 CB ARG A 79 9.490 1.663 3.629 1.00 0.00 C ATOM 1226 CG ARG A 79 10.545 2.051 2.608 1.00 0.00 C ATOM 1227 CD ARG A 79 11.039 3.465 2.843 1.00 0.00 C ATOM 1228 NE ARG A 79 11.680 3.621 4.162 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.144 4.781 4.650 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.052 5.890 3.934 1.00 0.00 N ATOM 1231 NH2 ARG A 79 12.706 4.820 5.847 1.00 0.00 N ATOM 0 H ARG A 79 8.120 0.472 5.389 1.00 0.00 H new ATOM 0 HA ARG A 79 8.593 0.071 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.631 2.324 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.890 1.829 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.383 1.356 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.130 1.970 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.750 3.734 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.201 4.158 2.764 1.00 0.00 H new ATOM 0 HE ARG A 79 11.777 2.789 4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.627 5.865 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.406 6.770 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.787 3.967 6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.058 5.703 6.216 1.00 0.00 H new ATOM 1245 N ILE A 80 10.581 -1.433 2.710 1.00 0.00 N ATOM 1246 CA ILE A 80 11.662 -2.377 2.844 1.00 0.00 C ATOM 1247 C ILE A 80 12.783 -2.026 1.882 1.00 0.00 C ATOM 1248 O ILE A 80 12.543 -1.423 0.832 1.00 0.00 O ATOM 1249 CB ILE A 80 11.194 -3.876 2.686 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.659 -4.216 1.285 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.176 -4.252 3.746 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.732 -4.685 0.313 1.00 0.00 C ATOM 0 H ILE A 80 10.179 -1.369 1.775 1.00 0.00 H new ATOM 0 HA ILE A 80 12.042 -2.299 3.863 1.00 0.00 H new ATOM 0 HB ILE A 80 12.094 -4.475 2.826 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.900 -4.993 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.167 -3.336 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.874 -5.290 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.618 -4.130 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.303 -3.606 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.277 -4.905 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.480 -3.902 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.209 -5.584 0.703 1.00 0.00 H new ATOM 1264 N PRO A 81 14.013 -2.337 2.232 1.00 0.00 N ATOM 1265 CA PRO A 81 15.148 -2.067 1.374 1.00 0.00 C ATOM 1266 C PRO A 81 15.252 -3.069 0.219 1.00 0.00 C ATOM 1267 O PRO A 81 15.057 -4.276 0.395 1.00 0.00 O ATOM 1268 CB PRO A 81 16.331 -2.248 2.313 1.00 0.00 C ATOM 1269 CG PRO A 81 15.858 -3.291 3.260 1.00 0.00 C ATOM 1270 CD PRO A 81 14.425 -2.965 3.509 1.00 0.00 C ATOM 0 HA PRO A 81 15.085 -1.084 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.225 -2.567 1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.582 -1.321 2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.968 -4.289 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.433 -3.274 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.838 -3.857 3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.304 -2.286 4.353 1.00 0.00 H new ATOM 1278 N ILE A 82 15.554 -2.574 -0.944 1.00 0.00 N ATOM 1279 CA ILE A 82 15.798 -3.437 -2.085 1.00 0.00 C ATOM 1280 C ILE A 82 17.283 -3.775 -2.105 1.00 0.00 C ATOM 1281 O ILE A 82 17.718 -4.739 -2.712 1.00 0.00 O ATOM 1282 CB ILE A 82 15.436 -2.755 -3.431 1.00 0.00 C ATOM 1283 CG1 ILE A 82 16.179 -1.436 -3.566 1.00 0.00 C ATOM 1284 CG2 ILE A 82 13.949 -2.542 -3.548 1.00 0.00 C ATOM 1285 CD1 ILE A 82 16.062 -0.784 -4.909 1.00 0.00 C ATOM 0 H ILE A 82 15.640 -1.576 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 82 15.172 -4.323 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 82 15.743 -3.415 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 82 15.806 -0.746 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 17.234 -1.606 -3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.724 -2.063 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.439 -3.504 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.607 -1.905 -2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 82 16.624 0.150 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 82 16.463 -1.450 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 82 15.013 -0.577 -5.123 1.00 0.00 H new ATOM 1297 N GLY A 83 18.038 -2.937 -1.444 1.00 0.00 N ATOM 1298 CA GLY A 83 19.454 -3.066 -1.368 1.00 0.00 C ATOM 1299 C GLY A 83 20.065 -1.767 -1.775 1.00 0.00 C ATOM 1300 O GLY A 83 20.792 -1.134 -1.011 1.00 0.00 O ATOM 0 H GLY A 83 17.670 -2.133 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.758 -3.327 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.798 -3.868 -2.021 1.00 0.00 H new ATOM 1304 N GLY A 84 19.708 -1.349 -2.959 1.00 0.00 N ATOM 1305 CA GLY A 84 20.160 -0.098 -3.493 1.00 0.00 C ATOM 1306 C GLY A 84 20.432 -0.229 -4.958 1.00 0.00 C ATOM 1307 O GLY A 84 21.506 0.118 -5.437 1.00 0.00 O ATOM 0 H GLY A 84 19.092 -1.871 -3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.407 0.671 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.064 0.221 -2.975 1.00 0.00 H new ATOM 1311 N VAL A 85 19.461 -0.734 -5.685 1.00 0.00 N ATOM 1312 CA VAL A 85 19.660 -0.977 -7.086 1.00 0.00 C ATOM 1313 C VAL A 85 19.099 0.143 -7.913 1.00 0.00 C ATOM 1314 O VAL A 85 17.909 0.169 -8.252 1.00 0.00 O ATOM 1315 CB VAL A 85 19.113 -2.352 -7.570 1.00 0.00 C ATOM 1316 CG1 VAL A 85 19.455 -2.597 -9.040 1.00 0.00 C ATOM 1317 CG2 VAL A 85 19.645 -3.482 -6.708 1.00 0.00 C ATOM 0 H VAL A 85 18.537 -0.980 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 85 20.740 -1.017 -7.228 1.00 0.00 H new ATOM 0 HB VAL A 85 18.028 -2.327 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 85 19.060 -3.565 -9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 85 19.012 -1.812 -9.652 1.00 0.00 H new ATOM 0 HG13 VAL A 85 20.537 -2.589 -9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 85 19.248 -4.431 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 85 20.733 -3.500 -6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 85 19.336 -3.327 -5.674 1.00 0.00 H new ATOM 1327 N LYS A 86 19.948 1.077 -8.168 1.00 0.00 N ATOM 1328 CA LYS A 86 19.680 2.181 -9.000 1.00 0.00 C ATOM 1329 C LYS A 86 20.994 2.638 -9.574 1.00 0.00 C ATOM 1330 O LYS A 86 21.144 2.619 -10.802 1.00 0.00 O ATOM 1331 CB LYS A 86 18.833 3.291 -8.284 1.00 0.00 C ATOM 1332 CG LYS A 86 19.368 3.853 -6.960 1.00 0.00 C ATOM 1333 CD LYS A 86 20.463 4.901 -7.170 1.00 0.00 C ATOM 1334 CE LYS A 86 20.845 5.622 -5.878 1.00 0.00 C ATOM 1335 NZ LYS A 86 21.098 4.698 -4.756 1.00 0.00 N ATOM 1336 OXT LYS A 86 21.942 2.852 -8.797 1.00 0.00 O ATOM 0 H LYS A 86 20.891 1.085 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 86 19.029 1.899 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 86 18.715 4.123 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.838 2.887 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.546 4.298 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.762 3.036 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 86 21.347 4.418 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.124 5.633 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.737 6.224 -6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.046 6.310 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.774 5.132 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.205 4.502 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.494 3.808 -5.121 1.00 0.00 H new TER 1350 LYS A 86