USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 157:sc= -7.9! USER MOD Set 1.2: A 77 TYR OH : rot 26:sc= -6.78! USER MOD Single : A 1 ALA N :NH3+ -108:sc= 1.19 (180deg=-0.439) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 107:sc= -4.39! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.138 F(o=-1.1,f=-0.14) USER MOD Single : A 22 SER OG : rot 93:sc= 1.13 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-7.7!) USER MOD Single : A 35 HIS : no HD1:sc= -11.9! C(o=-12!,f=-14!) USER MOD Single : A 37 THR OG1 : rot -35:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 57 MET CE :methyl 145:sc= -0.128 (180deg=-1.43) USER MOD Single : A 60 ASN : amide:sc=-0.00549 X(o=-0.0055,f=0) USER MOD Single : A 64 THR OG1 : rot 2:sc= 0.734 USER MOD Single : A 65 TYR OH : rot 90:sc= -0.809! USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.175) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.609! C(o=-2.3!,f=-0.61!) USER MOD Single : A 82 THR OG1 : rot 169:sc= -4.87! USER MOD Single : A 87 ASN : amide:sc= -2.78! C(o=-2.8!,f=-6.2!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.299 -8.915 -0.370 1.00 0.00 N ATOM 2 CA ALA A 1 -17.286 -9.494 -1.298 1.00 0.00 C ATOM 3 C ALA A 1 -15.891 -9.324 -0.703 1.00 0.00 C ATOM 4 O ALA A 1 -15.431 -8.229 -0.454 1.00 0.00 O ATOM 5 CB ALA A 1 -17.358 -8.777 -2.648 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.837 -9.683 0.080 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.819 -8.354 0.362 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.949 -8.304 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.492 -10.555 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.617 -9.201 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.353 -8.903 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.155 -7.715 -2.507 1.00 0.00 H new ATOM 13 N ASP A 2 -15.213 -10.411 -0.486 1.00 0.00 N ATOM 14 CA ASP A 2 -13.847 -10.336 0.084 1.00 0.00 C ATOM 15 C ASP A 2 -13.783 -9.297 1.208 1.00 0.00 C ATOM 16 O ASP A 2 -12.931 -8.432 1.202 1.00 0.00 O ATOM 17 CB ASP A 2 -12.873 -9.948 -1.023 1.00 0.00 C ATOM 18 CG ASP A 2 -11.498 -9.759 -0.410 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.355 -10.066 0.757 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.610 -9.304 -1.112 1.00 0.00 O ATOM 0 H ASP A 2 -15.550 -11.354 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.581 -11.308 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.843 -10.722 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.200 -9.030 -1.510 1.00 0.00 H new ATOM 25 N PRO A 3 -14.655 -9.432 2.172 1.00 0.00 N ATOM 26 CA PRO A 3 -14.661 -8.539 3.335 1.00 0.00 C ATOM 27 C PRO A 3 -13.610 -9.043 4.329 1.00 0.00 C ATOM 28 O PRO A 3 -13.484 -8.545 5.430 1.00 0.00 O ATOM 29 CB PRO A 3 -16.066 -8.711 3.915 1.00 0.00 C ATOM 30 CG PRO A 3 -16.572 -10.089 3.423 1.00 0.00 C ATOM 31 CD PRO A 3 -15.715 -10.462 2.198 1.00 0.00 C ATOM 0 HA PRO A 3 -14.435 -7.498 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.045 -8.670 5.004 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.726 -7.911 3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.474 -10.840 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.628 -10.041 3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.295 -11.463 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.304 -10.451 1.281 1.00 0.00 H new ATOM 39 N GLU A 4 -12.887 -10.070 3.952 1.00 0.00 N ATOM 40 CA GLU A 4 -11.878 -10.661 4.870 1.00 0.00 C ATOM 41 C GLU A 4 -10.715 -11.278 4.086 1.00 0.00 C ATOM 42 O GLU A 4 -9.983 -12.098 4.603 1.00 0.00 O ATOM 43 CB GLU A 4 -12.566 -11.776 5.629 1.00 0.00 C ATOM 44 CG GLU A 4 -12.390 -11.571 7.135 1.00 0.00 C ATOM 45 CD GLU A 4 -12.061 -12.909 7.800 1.00 0.00 C ATOM 46 OE1 GLU A 4 -11.086 -13.524 7.398 1.00 0.00 O ATOM 47 OE2 GLU A 4 -12.788 -13.298 8.699 1.00 0.00 O ATOM 0 H GLU A 4 -12.957 -10.523 3.041 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.486 -9.885 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.627 -11.797 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.149 -12.739 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.591 -10.854 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.301 -11.154 7.564 1.00 0.00 H new ATOM 54 N LYS A 5 -10.536 -10.909 2.854 1.00 0.00 N ATOM 55 CA LYS A 5 -9.423 -11.493 2.062 1.00 0.00 C ATOM 56 C LYS A 5 -8.900 -10.421 1.123 1.00 0.00 C ATOM 57 O LYS A 5 -8.537 -10.676 -0.008 1.00 0.00 O ATOM 58 CB LYS A 5 -9.932 -12.688 1.255 1.00 0.00 C ATOM 59 CG LYS A 5 -8.862 -13.781 1.234 1.00 0.00 C ATOM 60 CD LYS A 5 -9.153 -14.802 2.336 1.00 0.00 C ATOM 61 CE LYS A 5 -9.632 -16.110 1.704 1.00 0.00 C ATOM 62 NZ LYS A 5 -10.188 -16.998 2.764 1.00 0.00 N ATOM 0 H LYS A 5 -11.112 -10.228 2.359 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.627 -11.836 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.852 -13.073 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.171 -12.378 0.238 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.849 -14.273 0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.875 -13.342 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.256 -14.979 2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.912 -14.414 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.392 -15.905 0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.805 -16.606 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.514 -17.888 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.450 -17.203 3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.988 -16.524 3.229 1.00 0.00 H new ATOM 76 N SER A 6 -8.876 -9.213 1.595 1.00 0.00 N ATOM 77 CA SER A 6 -8.392 -8.095 0.744 1.00 0.00 C ATOM 78 C SER A 6 -7.121 -7.531 1.361 1.00 0.00 C ATOM 79 O SER A 6 -7.134 -6.998 2.447 1.00 0.00 O ATOM 80 CB SER A 6 -9.439 -6.982 0.694 1.00 0.00 C ATOM 81 OG SER A 6 -10.732 -7.546 0.553 1.00 0.00 O ATOM 0 H SER A 6 -9.171 -8.948 2.535 1.00 0.00 H new ATOM 0 HA SER A 6 -8.205 -8.464 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.390 -6.383 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.231 -6.312 -0.140 1.00 0.00 H new ATOM 0 HG SER A 6 -11.221 -7.459 1.398 1.00 0.00 H new ATOM 87 N TYR A 7 -6.019 -7.658 0.689 1.00 0.00 N ATOM 88 CA TYR A 7 -4.752 -7.127 1.269 1.00 0.00 C ATOM 89 C TYR A 7 -3.952 -6.348 0.220 1.00 0.00 C ATOM 90 O TYR A 7 -3.833 -6.752 -0.920 1.00 0.00 O ATOM 91 CB TYR A 7 -3.905 -8.290 1.791 1.00 0.00 C ATOM 92 CG TYR A 7 -3.700 -9.301 0.690 1.00 0.00 C ATOM 93 CD1 TYR A 7 -4.640 -10.319 0.489 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.566 -9.225 -0.127 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.447 -11.259 -0.531 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.372 -10.165 -1.146 1.00 0.00 C ATOM 97 CZ TYR A 7 -3.313 -11.183 -1.348 1.00 0.00 C ATOM 98 OH TYR A 7 -3.120 -12.110 -2.352 1.00 0.00 O ATOM 0 H TYR A 7 -5.934 -8.100 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.004 -6.450 2.085 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.942 -7.922 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.399 -8.759 2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.514 -10.379 1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.840 -8.441 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.173 -12.043 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.497 -10.105 -1.776 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.285 -11.911 -2.824 1.00 0.00 H new ATOM 108 N ALA A 8 -3.383 -5.239 0.618 1.00 0.00 N ATOM 109 CA ALA A 8 -2.559 -4.423 -0.322 1.00 0.00 C ATOM 110 C ALA A 8 -1.139 -4.375 0.227 1.00 0.00 C ATOM 111 O ALA A 8 -0.908 -3.895 1.318 1.00 0.00 O ATOM 112 CB ALA A 8 -3.108 -2.997 -0.412 1.00 0.00 C ATOM 0 H ALA A 8 -3.455 -4.861 1.563 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.582 -4.868 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.497 -2.415 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.136 -3.025 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.083 -2.535 0.575 1.00 0.00 H new ATOM 118 N GLU A 9 -0.184 -4.878 -0.499 1.00 0.00 N ATOM 119 CA GLU A 9 1.205 -4.858 0.030 1.00 0.00 C ATOM 120 C GLU A 9 2.187 -4.522 -1.085 1.00 0.00 C ATOM 121 O GLU A 9 2.036 -4.937 -2.221 1.00 0.00 O ATOM 122 CB GLU A 9 1.547 -6.229 0.623 1.00 0.00 C ATOM 123 CG GLU A 9 1.527 -7.286 -0.483 1.00 0.00 C ATOM 124 CD GLU A 9 2.819 -8.107 -0.434 1.00 0.00 C ATOM 125 OE1 GLU A 9 3.742 -7.686 0.243 1.00 0.00 O ATOM 126 OE2 GLU A 9 2.862 -9.145 -1.075 1.00 0.00 O ATOM 0 H GLU A 9 -0.301 -5.296 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 9 1.279 -4.096 0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.530 -6.198 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.830 -6.489 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.664 -7.940 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.426 -6.806 -1.456 1.00 0.00 H new ATOM 133 N GLY A 10 3.190 -3.755 -0.767 1.00 0.00 N ATOM 134 CA GLY A 10 4.187 -3.381 -1.797 1.00 0.00 C ATOM 135 C GLY A 10 5.462 -2.868 -1.132 1.00 0.00 C ATOM 136 O GLY A 10 5.505 -2.687 0.068 1.00 0.00 O ATOM 0 H GLY A 10 3.360 -3.372 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.416 -4.244 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.775 -2.613 -2.451 1.00 0.00 H new ATOM 140 N PRO A 11 6.449 -2.597 -1.948 1.00 0.00 N ATOM 141 CA PRO A 11 7.730 -2.035 -1.490 1.00 0.00 C ATOM 142 C PRO A 11 7.558 -0.526 -1.262 1.00 0.00 C ATOM 143 O PRO A 11 8.510 0.199 -1.045 1.00 0.00 O ATOM 144 CB PRO A 11 8.678 -2.299 -2.661 1.00 0.00 C ATOM 145 CG PRO A 11 7.785 -2.460 -3.914 1.00 0.00 C ATOM 146 CD PRO A 11 6.380 -2.836 -3.405 1.00 0.00 C ATOM 0 HA PRO A 11 8.094 -2.465 -0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.380 -1.474 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.270 -3.198 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.754 -1.535 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.178 -3.233 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.609 -2.224 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.140 -3.876 -3.628 1.00 0.00 H new ATOM 154 N GLY A 12 6.336 -0.058 -1.321 1.00 0.00 N ATOM 155 CA GLY A 12 6.049 1.387 -1.127 1.00 0.00 C ATOM 156 C GLY A 12 5.175 1.549 0.112 1.00 0.00 C ATOM 157 O GLY A 12 4.514 0.628 0.507 1.00 0.00 O ATOM 0 H GLY A 12 5.512 -0.633 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.978 1.945 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.542 1.793 -2.003 1.00 0.00 H new ATOM 161 N LEU A 13 5.169 2.705 0.722 1.00 0.00 N ATOM 162 CA LEU A 13 4.315 2.923 1.936 1.00 0.00 C ATOM 163 C LEU A 13 5.040 2.465 3.192 1.00 0.00 C ATOM 164 O LEU A 13 4.568 2.644 4.298 1.00 0.00 O ATOM 165 CB LEU A 13 2.972 2.203 1.760 1.00 0.00 C ATOM 166 CG LEU A 13 2.890 0.840 2.494 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.809 0.903 3.567 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.512 -0.258 1.499 1.00 0.00 C ATOM 0 H LEU A 13 5.720 3.513 0.433 1.00 0.00 H new ATOM 0 HA LEU A 13 4.117 3.989 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.174 2.850 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.793 2.044 0.697 1.00 0.00 H new ATOM 0 HG LEU A 13 3.858 0.623 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.752 -0.056 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.053 1.687 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.848 1.123 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.455 -1.215 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.544 -0.028 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.267 -0.314 0.715 1.00 0.00 H new ATOM 180 N ASP A 14 6.196 1.909 3.034 1.00 0.00 N ATOM 181 CA ASP A 14 6.971 1.475 4.225 1.00 0.00 C ATOM 182 C ASP A 14 7.405 2.719 4.980 1.00 0.00 C ATOM 183 O ASP A 14 7.743 2.677 6.146 1.00 0.00 O ATOM 184 CB ASP A 14 8.220 0.744 3.780 1.00 0.00 C ATOM 185 CG ASP A 14 7.901 -0.158 2.587 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.508 -1.291 2.814 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.056 0.298 1.467 1.00 0.00 O ATOM 0 H ASP A 14 6.643 1.734 2.134 1.00 0.00 H new ATOM 0 HA ASP A 14 6.359 0.822 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.994 1.462 3.507 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.615 0.147 4.602 1.00 0.00 H new ATOM 192 N GLY A 15 7.399 3.831 4.306 1.00 0.00 N ATOM 193 CA GLY A 15 7.817 5.106 4.962 1.00 0.00 C ATOM 194 C GLY A 15 9.327 5.292 4.864 1.00 0.00 C ATOM 195 O GLY A 15 9.935 5.094 3.831 1.00 0.00 O ATOM 0 H GLY A 15 7.123 3.917 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.310 5.947 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.514 5.099 6.009 1.00 0.00 H new ATOM 199 N GLY A 16 9.927 5.666 5.958 1.00 0.00 N ATOM 200 CA GLY A 16 11.407 5.872 5.992 1.00 0.00 C ATOM 201 C GLY A 16 11.844 7.032 5.101 1.00 0.00 C ATOM 202 O GLY A 16 12.244 8.073 5.582 1.00 0.00 O ATOM 0 H GLY A 16 9.451 5.841 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.723 6.064 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.908 4.959 5.670 1.00 0.00 H new ATOM 206 N GLU A 17 11.821 6.858 3.809 1.00 0.00 N ATOM 207 CA GLU A 17 12.293 7.956 2.922 1.00 0.00 C ATOM 208 C GLU A 17 11.193 8.458 1.991 1.00 0.00 C ATOM 209 O GLU A 17 10.388 7.707 1.480 1.00 0.00 O ATOM 210 CB GLU A 17 13.428 7.440 2.062 1.00 0.00 C ATOM 211 CG GLU A 17 14.732 7.434 2.862 1.00 0.00 C ATOM 212 CD GLU A 17 15.741 6.501 2.190 1.00 0.00 C ATOM 213 OE1 GLU A 17 15.933 6.633 0.993 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.303 5.670 2.883 1.00 0.00 O ATOM 0 H GLU A 17 11.500 6.014 3.334 1.00 0.00 H new ATOM 0 HA GLU A 17 12.610 8.780 3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.201 6.432 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.538 8.067 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.139 8.444 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.542 7.106 3.884 1.00 0.00 H new ATOM 221 N CYS A 18 11.182 9.738 1.767 1.00 0.00 N ATOM 222 CA CYS A 18 10.156 10.349 0.853 1.00 0.00 C ATOM 223 C CYS A 18 10.680 10.330 -0.581 1.00 0.00 C ATOM 224 O CYS A 18 9.931 10.466 -1.529 1.00 0.00 O ATOM 225 CB CYS A 18 9.896 11.818 1.217 1.00 0.00 C ATOM 226 SG CYS A 18 8.484 11.950 2.349 1.00 0.00 S ATOM 0 H CYS A 18 11.841 10.401 2.176 1.00 0.00 H new ATOM 0 HA CYS A 18 9.237 9.772 0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.784 12.247 1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.700 12.394 0.313 1.00 0.00 H new ATOM 0 HG CYS A 18 8.566 13.062 3.017 1.00 0.00 H new ATOM 232 N PHE A 19 11.965 10.189 -0.751 1.00 0.00 N ATOM 233 CA PHE A 19 12.536 10.193 -2.128 1.00 0.00 C ATOM 234 C PHE A 19 12.543 8.789 -2.702 1.00 0.00 C ATOM 235 O PHE A 19 13.074 8.541 -3.766 1.00 0.00 O ATOM 236 CB PHE A 19 13.947 10.762 -2.093 1.00 0.00 C ATOM 237 CG PHE A 19 13.816 12.242 -1.904 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.387 13.041 -2.967 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.083 12.811 -0.660 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.229 14.414 -2.784 1.00 0.00 C ATOM 241 CE2 PHE A 19 13.918 14.183 -0.475 1.00 0.00 C ATOM 242 CZ PHE A 19 13.491 14.982 -1.536 1.00 0.00 C ATOM 0 H PHE A 19 12.644 10.071 0.001 1.00 0.00 H new ATOM 0 HA PHE A 19 11.916 10.819 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.522 10.319 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.477 10.537 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.178 12.596 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.417 12.191 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.905 15.036 -3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.121 14.627 0.489 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.363 16.045 -1.391 1.00 0.00 H new ATOM 252 N GLN A 20 11.909 7.879 -2.035 1.00 0.00 N ATOM 253 CA GLN A 20 11.828 6.509 -2.574 1.00 0.00 C ATOM 254 C GLN A 20 10.468 6.415 -3.250 1.00 0.00 C ATOM 255 O GLN A 20 9.535 7.072 -2.833 1.00 0.00 O ATOM 256 CB GLN A 20 11.931 5.485 -1.439 1.00 0.00 C ATOM 257 CG GLN A 20 13.405 5.256 -1.097 1.00 0.00 C ATOM 258 CD GLN A 20 13.650 3.767 -0.851 1.00 0.00 C ATOM 259 OE1 GLN A 20 13.147 2.889 -1.677 1.00 0.00 O flip ATOM 260 NE2 GLN A 20 14.308 3.396 0.102 1.00 0.00 N flip ATOM 0 H GLN A 20 11.443 8.026 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 20 12.640 6.300 -3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.393 5.843 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.465 4.546 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.037 5.609 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.677 5.831 -0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.701 4.081 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.467 2.400 0.256 1.00 0.00 H new ATOM 269 N PRO A 21 10.386 5.636 -4.278 1.00 0.00 N ATOM 270 CA PRO A 21 9.136 5.495 -5.024 1.00 0.00 C ATOM 271 C PRO A 21 8.125 4.726 -4.186 1.00 0.00 C ATOM 272 O PRO A 21 8.436 3.698 -3.616 1.00 0.00 O ATOM 273 CB PRO A 21 9.548 4.724 -6.282 1.00 0.00 C ATOM 274 CG PRO A 21 10.874 4.007 -5.933 1.00 0.00 C ATOM 275 CD PRO A 21 11.502 4.807 -4.776 1.00 0.00 C ATOM 0 HA PRO A 21 8.659 6.443 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.780 4.005 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.681 5.400 -7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.692 2.974 -5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.541 3.980 -6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.890 4.149 -3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.335 5.421 -5.119 1.00 0.00 H new ATOM 283 N SER A 22 6.915 5.203 -4.096 1.00 0.00 N ATOM 284 CA SER A 22 5.920 4.468 -3.284 1.00 0.00 C ATOM 285 C SER A 22 4.996 3.726 -4.224 1.00 0.00 C ATOM 286 O SER A 22 4.224 4.324 -4.942 1.00 0.00 O ATOM 287 CB SER A 22 5.077 5.443 -2.500 1.00 0.00 C ATOM 288 OG SER A 22 5.892 6.494 -2.000 1.00 0.00 O ATOM 0 H SER A 22 6.580 6.056 -4.543 1.00 0.00 H new ATOM 0 HA SER A 22 6.438 3.789 -2.607 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.292 5.851 -3.136 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.584 4.929 -1.675 1.00 0.00 H new ATOM 0 HG SER A 22 5.890 7.240 -2.635 1.00 0.00 H new ATOM 294 N LYS A 23 5.062 2.433 -4.231 1.00 0.00 N ATOM 295 CA LYS A 23 4.176 1.667 -5.126 1.00 0.00 C ATOM 296 C LYS A 23 3.840 0.329 -4.487 1.00 0.00 C ATOM 297 O LYS A 23 4.699 -0.369 -3.989 1.00 0.00 O ATOM 298 CB LYS A 23 4.873 1.422 -6.453 1.00 0.00 C ATOM 299 CG LYS A 23 5.661 2.667 -6.863 1.00 0.00 C ATOM 300 CD LYS A 23 6.285 2.442 -8.242 1.00 0.00 C ATOM 301 CE LYS A 23 7.558 1.605 -8.096 1.00 0.00 C ATOM 302 NZ LYS A 23 7.321 0.239 -8.644 1.00 0.00 N ATOM 0 H LYS A 23 5.692 1.875 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 23 3.261 2.236 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.544 0.567 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.138 1.177 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.003 3.536 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.439 2.876 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.576 1.934 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.518 3.399 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.383 2.083 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.846 1.542 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.186 -0.330 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.546 -0.215 -8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.066 0.308 -9.650 1.00 0.00 H new ATOM 316 N PHE A 24 2.595 -0.027 -4.502 1.00 0.00 N ATOM 317 CA PHE A 24 2.179 -1.322 -3.899 1.00 0.00 C ATOM 318 C PHE A 24 1.113 -1.965 -4.780 1.00 0.00 C ATOM 319 O PHE A 24 0.456 -1.302 -5.563 1.00 0.00 O ATOM 320 CB PHE A 24 1.622 -1.125 -2.477 1.00 0.00 C ATOM 321 CG PHE A 24 1.687 0.328 -2.090 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.929 0.940 -1.938 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.512 1.060 -1.900 1.00 0.00 C ATOM 324 CE1 PHE A 24 3.009 2.290 -1.601 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.589 2.416 -1.558 1.00 0.00 C ATOM 326 CZ PHE A 24 1.841 3.030 -1.410 1.00 0.00 C ATOM 0 H PHE A 24 1.839 0.524 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 24 3.054 -1.968 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.591 -1.475 -2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.194 -1.724 -1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.833 0.367 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.450 0.583 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.973 2.763 -1.488 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.315 2.988 -1.408 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.902 4.076 -1.148 1.00 0.00 H new ATOM 336 N LYS A 25 0.939 -3.252 -4.664 1.00 0.00 N ATOM 337 CA LYS A 25 -0.081 -3.937 -5.502 1.00 0.00 C ATOM 338 C LYS A 25 -1.179 -4.463 -4.585 1.00 0.00 C ATOM 339 O LYS A 25 -0.922 -4.893 -3.476 1.00 0.00 O ATOM 340 CB LYS A 25 0.570 -5.105 -6.248 1.00 0.00 C ATOM 341 CG LYS A 25 1.567 -4.564 -7.275 1.00 0.00 C ATOM 342 CD LYS A 25 2.906 -4.282 -6.591 1.00 0.00 C ATOM 343 CE LYS A 25 3.921 -5.353 -6.993 1.00 0.00 C ATOM 344 NZ LYS A 25 4.879 -5.576 -5.874 1.00 0.00 N ATOM 0 H LYS A 25 1.458 -3.857 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.500 -3.242 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.079 -5.762 -5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.193 -5.702 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.703 -5.286 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.179 -3.652 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.271 -3.295 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.779 -4.275 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.407 -6.283 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.458 -5.042 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.569 -6.304 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.378 -4.688 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.360 -5.891 -5.030 1.00 0.00 H new ATOM 358 N ILE A 26 -2.407 -4.403 -5.018 1.00 0.00 N ATOM 359 CA ILE A 26 -3.507 -4.867 -4.147 1.00 0.00 C ATOM 360 C ILE A 26 -4.092 -6.158 -4.695 1.00 0.00 C ATOM 361 O ILE A 26 -4.095 -6.401 -5.884 1.00 0.00 O ATOM 362 CB ILE A 26 -4.588 -3.791 -4.102 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.919 -2.423 -3.973 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.507 -4.032 -2.904 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.966 -1.368 -3.626 1.00 0.00 C ATOM 0 H ILE A 26 -2.690 -4.054 -5.934 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.126 -5.052 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.182 -3.826 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.151 -2.455 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.421 -2.162 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.277 -3.261 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.977 -5.011 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.923 -3.995 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.485 -0.394 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.718 -1.329 -4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.444 -1.626 -2.681 1.00 0.00 H new ATOM 377 N HIS A 27 -4.586 -6.984 -3.828 1.00 0.00 N ATOM 378 CA HIS A 27 -5.179 -8.267 -4.279 1.00 0.00 C ATOM 379 C HIS A 27 -6.430 -8.574 -3.458 1.00 0.00 C ATOM 380 O HIS A 27 -6.366 -8.812 -2.262 1.00 0.00 O ATOM 381 CB HIS A 27 -4.160 -9.391 -4.092 1.00 0.00 C ATOM 382 CG HIS A 27 -2.811 -8.902 -4.526 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.183 -7.842 -3.898 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.966 -9.301 -5.529 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.015 -7.636 -4.523 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.828 -8.499 -5.527 1.00 0.00 N ATOM 0 H HIS A 27 -4.606 -6.827 -2.820 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.449 -8.189 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.130 -9.702 -3.048 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.450 -10.264 -4.677 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.154 -10.113 -6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.310 -6.865 -4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.026 -8.557 -6.155 1.00 0.00 H new ATOM 394 N ALA A 28 -7.566 -8.570 -4.095 1.00 0.00 N ATOM 395 CA ALA A 28 -8.833 -8.869 -3.372 1.00 0.00 C ATOM 396 C ALA A 28 -9.221 -10.334 -3.614 1.00 0.00 C ATOM 397 O ALA A 28 -9.031 -10.861 -4.691 1.00 0.00 O ATOM 398 CB ALA A 28 -9.942 -7.957 -3.899 1.00 0.00 C ATOM 0 H ALA A 28 -7.673 -8.372 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.696 -8.699 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.872 -8.173 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.665 -6.916 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.081 -8.132 -4.966 1.00 0.00 H new ATOM 404 N VAL A 29 -9.767 -10.995 -2.623 1.00 0.00 N ATOM 405 CA VAL A 29 -10.174 -12.420 -2.803 1.00 0.00 C ATOM 406 C VAL A 29 -11.603 -12.611 -2.278 1.00 0.00 C ATOM 407 O VAL A 29 -11.876 -12.460 -1.105 1.00 0.00 O ATOM 408 CB VAL A 29 -9.208 -13.335 -2.041 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.854 -14.707 -1.812 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.931 -13.515 -2.864 1.00 0.00 C ATOM 0 H VAL A 29 -9.948 -10.607 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.142 -12.677 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.972 -12.883 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.160 -15.350 -1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.767 -14.586 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.094 -15.161 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.240 -14.165 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.178 -13.964 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.463 -12.544 -3.027 1.00 0.00 H new ATOM 420 N ASP A 30 -12.505 -12.959 -3.153 1.00 0.00 N ATOM 421 CA ASP A 30 -13.926 -13.190 -2.758 1.00 0.00 C ATOM 422 C ASP A 30 -14.131 -14.709 -2.683 1.00 0.00 C ATOM 423 O ASP A 30 -13.175 -15.450 -2.786 1.00 0.00 O ATOM 424 CB ASP A 30 -14.836 -12.552 -3.814 1.00 0.00 C ATOM 425 CG ASP A 30 -15.734 -11.497 -3.172 1.00 0.00 C ATOM 426 OD1 ASP A 30 -15.240 -10.418 -2.907 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.902 -11.781 -2.973 1.00 0.00 O ATOM 0 H ASP A 30 -12.314 -13.096 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.166 -12.743 -1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.231 -12.096 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.447 -13.320 -4.289 1.00 0.00 H new ATOM 432 N PRO A 31 -15.345 -15.143 -2.481 1.00 0.00 N ATOM 433 CA PRO A 31 -15.644 -16.580 -2.360 1.00 0.00 C ATOM 434 C PRO A 31 -15.721 -17.290 -3.723 1.00 0.00 C ATOM 435 O PRO A 31 -16.505 -18.201 -3.896 1.00 0.00 O ATOM 436 CB PRO A 31 -17.004 -16.600 -1.662 1.00 0.00 C ATOM 437 CG PRO A 31 -17.657 -15.221 -1.927 1.00 0.00 C ATOM 438 CD PRO A 31 -16.525 -14.266 -2.345 1.00 0.00 C ATOM 0 HA PRO A 31 -14.862 -17.112 -1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.627 -17.405 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.888 -16.775 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.410 -15.294 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.162 -14.854 -1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.756 -13.760 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.361 -13.491 -1.597 1.00 0.00 H new ATOM 446 N ASP A 32 -14.922 -16.913 -4.692 1.00 0.00 N ATOM 447 CA ASP A 32 -14.997 -17.621 -6.002 1.00 0.00 C ATOM 448 C ASP A 32 -13.589 -18.008 -6.467 1.00 0.00 C ATOM 449 O ASP A 32 -13.382 -18.363 -7.610 1.00 0.00 O ATOM 450 CB ASP A 32 -15.641 -16.701 -7.041 1.00 0.00 C ATOM 451 CG ASP A 32 -17.147 -16.612 -6.784 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.525 -16.478 -5.633 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.896 -16.680 -7.745 1.00 0.00 O ATOM 0 H ASP A 32 -14.235 -16.161 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.598 -18.523 -5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.194 -15.708 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.455 -17.083 -8.045 1.00 0.00 H new ATOM 458 N GLY A 33 -12.612 -17.917 -5.603 1.00 0.00 N ATOM 459 CA GLY A 33 -11.224 -18.247 -6.020 1.00 0.00 C ATOM 460 C GLY A 33 -10.788 -17.134 -6.952 1.00 0.00 C ATOM 461 O GLY A 33 -10.048 -17.329 -7.896 1.00 0.00 O ATOM 0 H GLY A 33 -12.718 -17.629 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.563 -18.313 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.188 -19.213 -6.523 1.00 0.00 H new ATOM 465 N VAL A 34 -11.295 -15.962 -6.697 1.00 0.00 N ATOM 466 CA VAL A 34 -10.988 -14.798 -7.556 1.00 0.00 C ATOM 467 C VAL A 34 -11.061 -13.536 -6.703 1.00 0.00 C ATOM 468 O VAL A 34 -11.237 -13.599 -5.504 1.00 0.00 O ATOM 469 CB VAL A 34 -12.048 -14.711 -8.660 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.398 -14.236 -9.954 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.688 -16.085 -8.887 1.00 0.00 C ATOM 0 H VAL A 34 -11.919 -15.763 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.996 -14.900 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.820 -14.004 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.152 -14.174 -10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.955 -13.252 -9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.622 -14.941 -10.251 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.439 -16.011 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.920 -16.799 -9.185 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.160 -16.423 -7.965 1.00 0.00 H new ATOM 481 N HIS A 35 -10.953 -12.390 -7.308 1.00 0.00 N ATOM 482 CA HIS A 35 -11.045 -11.135 -6.516 1.00 0.00 C ATOM 483 C HIS A 35 -12.454 -10.563 -6.666 1.00 0.00 C ATOM 484 O HIS A 35 -12.637 -9.429 -7.051 1.00 0.00 O ATOM 485 CB HIS A 35 -10.009 -10.130 -7.020 1.00 0.00 C ATOM 486 CG HIS A 35 -8.728 -10.856 -7.324 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.558 -10.633 -6.614 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.421 -11.811 -8.260 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.612 -11.441 -7.131 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.086 -12.180 -8.136 1.00 0.00 N ATOM 0 H HIS A 35 -10.806 -12.267 -8.310 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.845 -11.340 -5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.377 -9.626 -7.914 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.836 -9.360 -6.269 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.112 -12.215 -8.984 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.593 -11.485 -6.775 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.578 -12.867 -8.693 1.00 0.00 H new ATOM 498 N ARG A 36 -13.446 -11.361 -6.360 1.00 0.00 N ATOM 499 CA ARG A 36 -14.865 -10.923 -6.465 1.00 0.00 C ATOM 500 C ARG A 36 -15.248 -10.876 -7.948 1.00 0.00 C ATOM 501 O ARG A 36 -15.966 -10.008 -8.401 1.00 0.00 O ATOM 502 CB ARG A 36 -15.039 -9.557 -5.771 1.00 0.00 C ATOM 503 CG ARG A 36 -14.938 -8.394 -6.766 1.00 0.00 C ATOM 504 CD ARG A 36 -16.341 -7.870 -7.065 1.00 0.00 C ATOM 505 NE ARG A 36 -16.627 -6.693 -6.196 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.823 -6.172 -6.173 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.702 -6.510 -7.077 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.140 -5.308 -5.246 1.00 0.00 N ATOM 0 H ARG A 36 -13.325 -12.320 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.530 -11.624 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.007 -9.524 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.278 -9.442 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.319 -7.598 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.457 -8.726 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.419 -7.588 -8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.079 -8.653 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.887 -6.294 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.454 -7.182 -7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.637 -6.102 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.453 -5.041 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.075 -4.900 -5.227 1.00 0.00 H new ATOM 522 N THR A 37 -14.756 -11.811 -8.709 1.00 0.00 N ATOM 523 CA THR A 37 -15.065 -11.819 -10.168 1.00 0.00 C ATOM 524 C THR A 37 -14.353 -10.619 -10.818 1.00 0.00 C ATOM 525 O THR A 37 -14.826 -9.501 -10.754 1.00 0.00 O ATOM 526 CB THR A 37 -16.581 -11.703 -10.377 1.00 0.00 C ATOM 527 OG1 THR A 37 -16.951 -10.336 -10.476 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.315 -12.345 -9.199 1.00 0.00 C ATOM 0 H THR A 37 -14.155 -12.569 -8.387 1.00 0.00 H new ATOM 0 HA THR A 37 -14.721 -12.749 -10.622 1.00 0.00 H new ATOM 0 HB THR A 37 -16.853 -12.218 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.380 -9.799 -9.888 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.391 -12.261 -9.351 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.040 -13.397 -9.129 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.038 -11.835 -8.276 1.00 0.00 H new ATOM 536 N ASP A 38 -13.208 -10.821 -11.423 1.00 0.00 N ATOM 537 CA ASP A 38 -12.485 -9.673 -12.039 1.00 0.00 C ATOM 538 C ASP A 38 -13.461 -8.798 -12.825 1.00 0.00 C ATOM 539 O ASP A 38 -14.599 -9.161 -13.052 1.00 0.00 O ATOM 540 CB ASP A 38 -11.397 -10.196 -12.979 1.00 0.00 C ATOM 541 CG ASP A 38 -10.055 -9.571 -12.599 1.00 0.00 C ATOM 542 OD1 ASP A 38 -9.912 -8.371 -12.768 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.192 -10.302 -12.141 1.00 0.00 O ATOM 0 H ASP A 38 -12.748 -11.727 -11.515 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.029 -9.077 -11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.336 -11.282 -12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.645 -9.952 -14.012 1.00 0.00 H new ATOM 548 N GLY A 39 -13.017 -7.646 -13.246 1.00 0.00 N ATOM 549 CA GLY A 39 -13.907 -6.737 -14.027 1.00 0.00 C ATOM 550 C GLY A 39 -15.061 -6.230 -13.146 1.00 0.00 C ATOM 551 O GLY A 39 -16.198 -6.610 -13.338 1.00 0.00 O ATOM 0 H GLY A 39 -12.074 -7.293 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.332 -5.892 -14.406 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.307 -7.265 -14.893 1.00 0.00 H new ATOM 555 N GLY A 40 -14.794 -5.365 -12.193 1.00 0.00 N ATOM 556 CA GLY A 40 -15.903 -4.846 -11.339 1.00 0.00 C ATOM 557 C GLY A 40 -15.644 -5.158 -9.860 1.00 0.00 C ATOM 558 O GLY A 40 -16.419 -5.840 -9.224 1.00 0.00 O ATOM 0 H GLY A 40 -13.866 -5.002 -11.974 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.000 -3.769 -11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.847 -5.293 -11.650 1.00 0.00 H new ATOM 562 N ASP A 41 -14.577 -4.651 -9.297 1.00 0.00 N ATOM 563 CA ASP A 41 -14.303 -4.917 -7.854 1.00 0.00 C ATOM 564 C ASP A 41 -14.493 -3.619 -7.073 1.00 0.00 C ATOM 565 O ASP A 41 -13.973 -2.585 -7.445 1.00 0.00 O ATOM 566 CB ASP A 41 -12.855 -5.396 -7.671 1.00 0.00 C ATOM 567 CG ASP A 41 -12.473 -6.347 -8.808 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.351 -6.709 -9.574 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.309 -6.704 -8.889 1.00 0.00 O ATOM 0 H ASP A 41 -13.888 -4.068 -9.771 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.985 -5.687 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.179 -4.541 -7.658 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.749 -5.902 -6.711 1.00 0.00 H new ATOM 574 N GLY A 42 -15.213 -3.654 -5.986 1.00 0.00 N ATOM 575 CA GLY A 42 -15.395 -2.407 -5.192 1.00 0.00 C ATOM 576 C GLY A 42 -14.077 -2.110 -4.483 1.00 0.00 C ATOM 577 O GLY A 42 -14.009 -2.043 -3.274 1.00 0.00 O ATOM 0 H GLY A 42 -15.679 -4.483 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.675 -1.578 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.200 -2.530 -4.467 1.00 0.00 H new ATOM 581 N PHE A 43 -13.023 -1.959 -5.237 1.00 0.00 N ATOM 582 CA PHE A 43 -11.693 -1.705 -4.631 1.00 0.00 C ATOM 583 C PHE A 43 -11.314 -0.237 -4.784 1.00 0.00 C ATOM 584 O PHE A 43 -10.858 0.193 -5.825 1.00 0.00 O ATOM 585 CB PHE A 43 -10.661 -2.561 -5.358 1.00 0.00 C ATOM 586 CG PHE A 43 -9.821 -3.326 -4.366 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.511 -2.769 -3.119 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.344 -4.595 -4.704 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.723 -3.490 -2.213 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.557 -5.315 -3.801 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.247 -4.763 -2.554 1.00 0.00 C ATOM 0 H PHE A 43 -13.030 -2.002 -6.256 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.724 -1.954 -3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.164 -3.256 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.022 -1.928 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.878 -1.788 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.584 -5.021 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.482 -3.064 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.189 -6.295 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.641 -5.318 -1.854 1.00 0.00 H new ATOM 601 N VAL A 44 -11.468 0.526 -3.748 1.00 0.00 N ATOM 602 CA VAL A 44 -11.082 1.961 -3.824 1.00 0.00 C ATOM 603 C VAL A 44 -9.831 2.157 -2.967 1.00 0.00 C ATOM 604 O VAL A 44 -9.868 2.026 -1.759 1.00 0.00 O ATOM 605 CB VAL A 44 -12.244 2.867 -3.334 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.291 2.038 -2.585 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.724 3.973 -2.398 1.00 0.00 C ATOM 0 H VAL A 44 -11.844 0.222 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.871 2.242 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.697 3.324 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.098 2.689 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.694 1.274 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.827 1.560 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.558 4.593 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.245 3.520 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.001 4.590 -2.931 1.00 0.00 H new ATOM 617 N VAL A 45 -8.723 2.473 -3.576 1.00 0.00 N ATOM 618 CA VAL A 45 -7.485 2.675 -2.783 1.00 0.00 C ATOM 619 C VAL A 45 -6.894 4.036 -3.100 1.00 0.00 C ATOM 620 O VAL A 45 -6.941 4.504 -4.219 1.00 0.00 O ATOM 621 CB VAL A 45 -6.468 1.583 -3.101 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.184 1.831 -2.305 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.054 0.225 -2.711 1.00 0.00 C ATOM 0 H VAL A 45 -8.623 2.599 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.732 2.625 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.239 1.594 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.458 1.050 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.770 2.802 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.409 1.817 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.333 -0.561 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.278 0.218 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.970 0.048 -3.275 1.00 0.00 H new ATOM 633 N THR A 46 -6.342 4.683 -2.118 1.00 0.00 N ATOM 634 CA THR A 46 -5.756 6.019 -2.363 1.00 0.00 C ATOM 635 C THR A 46 -4.758 6.371 -1.263 1.00 0.00 C ATOM 636 O THR A 46 -4.986 6.136 -0.091 1.00 0.00 O ATOM 637 CB THR A 46 -6.876 7.065 -2.383 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.126 6.412 -2.546 1.00 0.00 O ATOM 639 CG2 THR A 46 -6.651 8.035 -3.543 1.00 0.00 C ATOM 0 H THR A 46 -6.272 4.344 -1.159 1.00 0.00 H new ATOM 0 HA THR A 46 -5.237 6.008 -3.321 1.00 0.00 H new ATOM 0 HB THR A 46 -6.873 7.619 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.844 7.079 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.448 8.778 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.691 8.535 -3.418 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.653 7.484 -4.484 1.00 0.00 H new ATOM 647 N ILE A 47 -3.664 6.963 -1.643 1.00 0.00 N ATOM 648 CA ILE A 47 -2.645 7.384 -0.650 1.00 0.00 C ATOM 649 C ILE A 47 -2.490 8.889 -0.735 1.00 0.00 C ATOM 650 O ILE A 47 -2.752 9.496 -1.755 1.00 0.00 O ATOM 651 CB ILE A 47 -1.278 6.756 -0.947 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.208 5.340 -0.357 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.169 7.638 -0.333 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.230 5.059 0.085 1.00 0.00 C ATOM 0 H ILE A 47 -3.430 7.175 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.975 7.062 0.338 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.137 6.691 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.887 5.251 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.525 4.606 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.805 7.195 -0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.215 8.636 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.313 7.706 0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.292 4.055 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.896 5.134 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.528 5.788 0.839 1.00 0.00 H new ATOM 666 N GLU A 48 -2.018 9.494 0.307 1.00 0.00 N ATOM 667 CA GLU A 48 -1.800 10.954 0.230 1.00 0.00 C ATOM 668 C GLU A 48 -0.907 11.423 1.380 1.00 0.00 C ATOM 669 O GLU A 48 -0.909 10.873 2.467 1.00 0.00 O ATOM 670 CB GLU A 48 -3.143 11.687 0.280 1.00 0.00 C ATOM 671 CG GLU A 48 -4.026 11.072 1.368 1.00 0.00 C ATOM 672 CD GLU A 48 -4.375 12.142 2.406 1.00 0.00 C ATOM 673 OE1 GLU A 48 -3.467 12.612 3.071 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.544 12.472 2.518 1.00 0.00 O ATOM 0 H GLU A 48 -1.777 9.052 1.194 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.303 11.182 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.983 12.746 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.641 11.620 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.937 10.667 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.507 10.241 1.846 1.00 0.00 H new ATOM 681 N GLY A 49 -0.144 12.447 1.124 1.00 0.00 N ATOM 682 CA GLY A 49 0.774 13.011 2.150 1.00 0.00 C ATOM 683 C GLY A 49 1.078 14.462 1.765 1.00 0.00 C ATOM 684 O GLY A 49 0.429 15.014 0.901 1.00 0.00 O ATOM 0 H GLY A 49 -0.118 12.928 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.315 12.967 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.694 12.429 2.200 1.00 0.00 H new ATOM 688 N PRO A 50 2.049 15.040 2.412 1.00 0.00 N ATOM 689 CA PRO A 50 2.448 16.433 2.144 1.00 0.00 C ATOM 690 C PRO A 50 3.248 16.519 0.839 1.00 0.00 C ATOM 691 O PRO A 50 4.449 16.702 0.848 1.00 0.00 O ATOM 692 CB PRO A 50 3.314 16.794 3.355 1.00 0.00 C ATOM 693 CG PRO A 50 3.821 15.456 3.944 1.00 0.00 C ATOM 694 CD PRO A 50 2.844 14.367 3.460 1.00 0.00 C ATOM 0 HA PRO A 50 1.603 17.110 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.149 17.429 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.736 17.349 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.836 15.244 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.848 15.497 5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.375 13.502 3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.212 14.009 4.272 1.00 0.00 H new ATOM 702 N ALA A 51 2.591 16.388 -0.288 1.00 0.00 N ATOM 703 CA ALA A 51 3.320 16.463 -1.589 1.00 0.00 C ATOM 704 C ALA A 51 2.334 16.816 -2.711 1.00 0.00 C ATOM 705 O ALA A 51 1.151 16.950 -2.471 1.00 0.00 O ATOM 706 CB ALA A 51 3.966 15.107 -1.882 1.00 0.00 C ATOM 0 H ALA A 51 1.586 16.233 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 51 4.091 17.232 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.500 15.156 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.666 14.857 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.193 14.341 -1.939 1.00 0.00 H new ATOM 712 N PRO A 52 2.857 16.956 -3.906 1.00 0.00 N ATOM 713 CA PRO A 52 2.048 17.295 -5.094 1.00 0.00 C ATOM 714 C PRO A 52 1.281 16.064 -5.589 1.00 0.00 C ATOM 715 O PRO A 52 0.072 16.078 -5.698 1.00 0.00 O ATOM 716 CB PRO A 52 3.090 17.748 -6.120 1.00 0.00 C ATOM 717 CG PRO A 52 4.437 17.123 -5.682 1.00 0.00 C ATOM 718 CD PRO A 52 4.299 16.788 -4.184 1.00 0.00 C ATOM 0 HA PRO A 52 1.294 18.058 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.817 17.418 -7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.158 18.835 -6.150 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.655 16.226 -6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.260 17.818 -5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.630 15.771 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.903 17.455 -3.569 1.00 0.00 H new ATOM 726 N VAL A 53 1.972 14.995 -5.875 1.00 0.00 N ATOM 727 CA VAL A 53 1.280 13.762 -6.345 1.00 0.00 C ATOM 728 C VAL A 53 0.903 12.933 -5.114 1.00 0.00 C ATOM 729 O VAL A 53 1.588 11.994 -4.756 1.00 0.00 O ATOM 730 CB VAL A 53 2.227 12.958 -7.237 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.420 11.983 -8.097 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.003 13.916 -8.145 1.00 0.00 C ATOM 0 H VAL A 53 2.987 14.922 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 53 0.388 14.017 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 53 2.924 12.398 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.097 11.411 -8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.866 11.302 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.722 12.541 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.679 13.346 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.304 14.475 -8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.580 14.610 -7.534 1.00 0.00 H new ATOM 742 N ASP A 54 -0.157 13.295 -4.438 1.00 0.00 N ATOM 743 CA ASP A 54 -0.542 12.553 -3.209 1.00 0.00 C ATOM 744 C ASP A 54 -1.492 11.381 -3.538 1.00 0.00 C ATOM 745 O ASP A 54 -1.117 10.239 -3.362 1.00 0.00 O ATOM 746 CB ASP A 54 -1.181 13.540 -2.228 1.00 0.00 C ATOM 747 CG ASP A 54 -0.078 14.324 -1.512 1.00 0.00 C ATOM 748 OD1 ASP A 54 0.940 13.727 -1.201 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.267 15.509 -1.289 1.00 0.00 O ATOM 0 H ASP A 54 -0.769 14.072 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 54 0.344 12.112 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.842 14.223 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.793 13.005 -1.502 1.00 0.00 H new ATOM 754 N PRO A 55 -2.686 11.672 -4.007 1.00 0.00 N ATOM 755 CA PRO A 55 -3.667 10.619 -4.357 1.00 0.00 C ATOM 756 C PRO A 55 -3.273 9.929 -5.667 1.00 0.00 C ATOM 757 O PRO A 55 -3.326 10.522 -6.726 1.00 0.00 O ATOM 758 CB PRO A 55 -4.978 11.388 -4.531 1.00 0.00 C ATOM 759 CG PRO A 55 -4.580 12.850 -4.835 1.00 0.00 C ATOM 760 CD PRO A 55 -3.176 13.047 -4.238 1.00 0.00 C ATOM 0 HA PRO A 55 -3.731 9.834 -3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.571 10.968 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.587 11.329 -3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.576 13.037 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.292 13.547 -4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.525 13.592 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.214 13.618 -3.310 1.00 0.00 H new ATOM 768 N VAL A 56 -2.858 8.689 -5.611 1.00 0.00 N ATOM 769 CA VAL A 56 -2.450 7.996 -6.852 1.00 0.00 C ATOM 770 C VAL A 56 -2.872 6.529 -6.823 1.00 0.00 C ATOM 771 O VAL A 56 -2.218 5.701 -6.221 1.00 0.00 O ATOM 772 CB VAL A 56 -0.946 8.035 -6.930 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.503 7.564 -8.319 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.454 9.463 -6.688 1.00 0.00 C ATOM 0 H VAL A 56 -2.787 8.134 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.921 8.488 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.523 7.379 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.585 7.590 -8.382 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.852 6.545 -8.486 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.926 8.222 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.634 9.487 -6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.872 10.125 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.773 9.795 -5.700 1.00 0.00 H new ATOM 784 N MET A 57 -3.932 6.190 -7.485 1.00 0.00 N ATOM 785 CA MET A 57 -4.348 4.760 -7.504 1.00 0.00 C ATOM 786 C MET A 57 -4.836 4.367 -8.898 1.00 0.00 C ATOM 787 O MET A 57 -5.562 5.094 -9.548 1.00 0.00 O ATOM 788 CB MET A 57 -5.433 4.514 -6.455 1.00 0.00 C ATOM 789 CG MET A 57 -6.774 5.053 -6.957 1.00 0.00 C ATOM 790 SD MET A 57 -6.736 6.861 -6.969 1.00 0.00 S ATOM 791 CE MET A 57 -7.637 7.097 -8.520 1.00 0.00 C ATOM 0 H MET A 57 -4.527 6.830 -8.011 1.00 0.00 H new ATOM 0 HA MET A 57 -3.487 4.138 -7.259 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.515 3.447 -6.247 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.163 5.002 -5.518 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.976 4.677 -7.960 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.582 4.701 -6.316 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.256 7.991 -8.449 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.927 7.211 -9.339 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.271 6.231 -8.708 1.00 0.00 H new ATOM 801 N VAL A 58 -4.418 3.217 -9.366 1.00 0.00 N ATOM 802 CA VAL A 58 -4.823 2.760 -10.725 1.00 0.00 C ATOM 803 C VAL A 58 -5.430 1.350 -10.641 1.00 0.00 C ATOM 804 O VAL A 58 -5.137 0.585 -9.737 1.00 0.00 O ATOM 805 CB VAL A 58 -3.599 2.720 -11.656 1.00 0.00 C ATOM 806 CG1 VAL A 58 -3.929 3.430 -12.969 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.404 3.417 -10.994 1.00 0.00 C ATOM 0 H VAL A 58 -3.810 2.573 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.561 3.458 -11.121 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.343 1.679 -11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.060 3.400 -13.627 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.768 2.929 -13.453 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.194 4.467 -12.765 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.545 3.381 -11.664 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.659 4.456 -10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.158 2.910 -10.061 1.00 0.00 H new ATOM 817 N ASP A 59 -6.266 1.007 -11.589 1.00 0.00 N ATOM 818 CA ASP A 59 -6.906 -0.339 -11.595 1.00 0.00 C ATOM 819 C ASP A 59 -6.501 -1.084 -12.870 1.00 0.00 C ATOM 820 O ASP A 59 -6.717 -0.612 -13.968 1.00 0.00 O ATOM 821 CB ASP A 59 -8.430 -0.159 -11.570 1.00 0.00 C ATOM 822 CG ASP A 59 -9.130 -1.509 -11.761 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.760 -2.230 -12.673 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.032 -1.796 -10.991 1.00 0.00 O ATOM 0 H ASP A 59 -6.533 1.611 -12.366 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.585 -0.911 -10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.735 0.285 -10.622 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.734 0.530 -12.358 1.00 0.00 H new ATOM 829 N ASN A 60 -5.912 -2.242 -12.736 1.00 0.00 N ATOM 830 CA ASN A 60 -5.495 -3.003 -13.953 1.00 0.00 C ATOM 831 C ASN A 60 -6.636 -3.900 -14.441 1.00 0.00 C ATOM 832 O ASN A 60 -6.664 -4.303 -15.587 1.00 0.00 O ATOM 833 CB ASN A 60 -4.271 -3.862 -13.628 1.00 0.00 C ATOM 834 CG ASN A 60 -3.172 -3.593 -14.659 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.805 -4.469 -15.416 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.628 -2.407 -14.721 1.00 0.00 N ATOM 0 H ASN A 60 -5.702 -2.692 -11.845 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.245 -2.293 -14.741 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.908 -3.633 -12.626 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.542 -4.918 -13.636 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.895 -2.217 -15.405 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.936 -1.671 -14.086 1.00 0.00 H new ATOM 843 N GLY A 61 -7.588 -4.204 -13.603 1.00 0.00 N ATOM 844 CA GLY A 61 -8.720 -5.055 -14.054 1.00 0.00 C ATOM 845 C GLY A 61 -8.347 -6.540 -13.961 1.00 0.00 C ATOM 846 O GLY A 61 -8.882 -7.365 -14.674 1.00 0.00 O ATOM 0 H GLY A 61 -7.630 -3.901 -12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.599 -4.856 -13.441 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.984 -4.804 -15.081 1.00 0.00 H new ATOM 850 N ASP A 62 -7.436 -6.890 -13.093 1.00 0.00 N ATOM 851 CA ASP A 62 -7.045 -8.323 -12.968 1.00 0.00 C ATOM 852 C ASP A 62 -7.224 -8.785 -11.517 1.00 0.00 C ATOM 853 O ASP A 62 -6.480 -9.612 -11.024 1.00 0.00 O ATOM 854 CB ASP A 62 -5.581 -8.488 -13.381 1.00 0.00 C ATOM 855 CG ASP A 62 -4.700 -7.584 -12.517 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.250 -6.782 -11.780 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.489 -7.708 -12.609 1.00 0.00 O ATOM 0 H ASP A 62 -6.948 -6.249 -12.468 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.678 -8.928 -13.617 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.275 -9.528 -13.267 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.459 -8.234 -14.434 1.00 0.00 H new ATOM 862 N GLY A 63 -8.207 -8.264 -10.832 1.00 0.00 N ATOM 863 CA GLY A 63 -8.438 -8.678 -9.413 1.00 0.00 C ATOM 864 C GLY A 63 -7.373 -8.056 -8.500 1.00 0.00 C ATOM 865 O GLY A 63 -7.388 -8.234 -7.289 1.00 0.00 O ATOM 0 H GLY A 63 -8.861 -7.569 -11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.431 -8.364 -9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.406 -9.765 -9.334 1.00 0.00 H new ATOM 869 N THR A 64 -6.455 -7.320 -9.070 1.00 0.00 N ATOM 870 CA THR A 64 -5.392 -6.675 -8.255 1.00 0.00 C ATOM 871 C THR A 64 -5.257 -5.221 -8.700 1.00 0.00 C ATOM 872 O THR A 64 -5.450 -4.899 -9.856 1.00 0.00 O ATOM 873 CB THR A 64 -4.063 -7.405 -8.464 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.663 -7.277 -9.822 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.233 -8.884 -8.115 1.00 0.00 C ATOM 0 H THR A 64 -6.399 -7.139 -10.072 1.00 0.00 H new ATOM 0 HA THR A 64 -5.654 -6.720 -7.198 1.00 0.00 H new ATOM 0 HB THR A 64 -3.301 -6.968 -7.819 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.311 -6.721 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.287 -9.404 -8.264 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.539 -8.979 -7.073 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.994 -9.325 -8.759 1.00 0.00 H new ATOM 883 N TYR A 65 -4.953 -4.335 -7.798 1.00 0.00 N ATOM 884 CA TYR A 65 -4.840 -2.905 -8.185 1.00 0.00 C ATOM 885 C TYR A 65 -3.507 -2.339 -7.713 1.00 0.00 C ATOM 886 O TYR A 65 -2.890 -2.855 -6.805 1.00 0.00 O ATOM 887 CB TYR A 65 -6.019 -2.159 -7.579 1.00 0.00 C ATOM 888 CG TYR A 65 -7.259 -2.804 -8.134 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.358 -2.998 -9.513 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.287 -3.238 -7.291 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.477 -3.620 -10.057 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.412 -3.859 -7.838 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.509 -4.051 -9.220 1.00 0.00 C ATOM 894 OH TYR A 65 -10.621 -4.664 -9.758 1.00 0.00 O ATOM 0 H TYR A 65 -4.778 -4.537 -6.814 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.867 -2.793 -9.269 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.002 -2.223 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.983 -1.101 -7.837 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.561 -2.663 -10.161 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.211 -3.094 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.548 -3.769 -11.124 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.210 -4.192 -7.191 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.470 -5.631 -9.808 1.00 0.00 H new ATOM 904 N ASP A 66 -3.038 -1.298 -8.341 1.00 0.00 N ATOM 905 CA ASP A 66 -1.725 -0.732 -7.940 1.00 0.00 C ATOM 906 C ASP A 66 -1.886 0.735 -7.570 1.00 0.00 C ATOM 907 O ASP A 66 -2.612 1.474 -8.204 1.00 0.00 O ATOM 908 CB ASP A 66 -0.743 -0.862 -9.105 1.00 0.00 C ATOM 909 CG ASP A 66 -1.001 -2.174 -9.847 1.00 0.00 C ATOM 910 OD1 ASP A 66 -2.040 -2.281 -10.478 1.00 0.00 O ATOM 911 OD2 ASP A 66 -0.158 -3.052 -9.771 1.00 0.00 O ATOM 0 H ASP A 66 -3.505 -0.818 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.344 -1.277 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.857 -0.019 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.282 -0.837 -8.735 1.00 0.00 H new ATOM 916 N VAL A 67 -1.208 1.161 -6.547 1.00 0.00 N ATOM 917 CA VAL A 67 -1.313 2.580 -6.129 1.00 0.00 C ATOM 918 C VAL A 67 0.112 3.125 -5.926 1.00 0.00 C ATOM 919 O VAL A 67 0.984 2.403 -5.478 1.00 0.00 O ATOM 920 CB VAL A 67 -2.131 2.640 -4.835 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.271 1.624 -4.913 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.264 2.293 -3.651 1.00 0.00 C ATOM 0 H VAL A 67 -0.584 0.586 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.814 3.190 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.524 3.650 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.856 1.663 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.912 1.861 -5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.858 0.623 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.858 2.340 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.867 1.286 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.439 3.003 -3.583 1.00 0.00 H new ATOM 932 N GLU A 68 0.383 4.370 -6.269 1.00 0.00 N ATOM 933 CA GLU A 68 1.791 4.872 -6.100 1.00 0.00 C ATOM 934 C GLU A 68 1.861 6.384 -5.885 1.00 0.00 C ATOM 935 O GLU A 68 1.365 7.161 -6.656 1.00 0.00 O ATOM 936 CB GLU A 68 2.605 4.580 -7.358 1.00 0.00 C ATOM 937 CG GLU A 68 2.427 3.125 -7.798 1.00 0.00 C ATOM 938 CD GLU A 68 1.096 2.971 -8.538 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.817 3.798 -9.389 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.381 2.028 -8.240 1.00 0.00 O ATOM 0 H GLU A 68 -0.287 5.040 -6.647 1.00 0.00 H new ATOM 0 HA GLU A 68 2.185 4.360 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.293 5.248 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.660 4.780 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.251 2.827 -8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.450 2.467 -6.930 1.00 0.00 H new ATOM 947 N PHE A 69 2.576 6.792 -4.888 1.00 0.00 N ATOM 948 CA PHE A 69 2.778 8.259 -4.638 1.00 0.00 C ATOM 949 C PHE A 69 4.278 8.488 -4.377 1.00 0.00 C ATOM 950 O PHE A 69 4.990 7.577 -3.995 1.00 0.00 O ATOM 951 CB PHE A 69 1.956 8.750 -3.430 1.00 0.00 C ATOM 952 CG PHE A 69 2.577 8.254 -2.158 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.577 6.889 -1.865 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.144 9.169 -1.267 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.144 6.439 -0.672 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.714 8.717 -0.077 1.00 0.00 C ATOM 957 CZ PHE A 69 3.709 7.347 0.217 1.00 0.00 C ATOM 0 H PHE A 69 3.040 6.176 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 69 2.439 8.822 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.915 9.839 -3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.929 8.393 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.140 6.185 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.141 10.224 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.144 5.384 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.157 9.419 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.146 6.994 1.139 1.00 0.00 H new ATOM 967 N GLU A 70 4.785 9.673 -4.596 1.00 0.00 N ATOM 968 CA GLU A 70 6.246 9.888 -4.359 1.00 0.00 C ATOM 969 C GLU A 70 6.525 11.357 -3.954 1.00 0.00 C ATOM 970 O GLU A 70 6.544 12.238 -4.789 1.00 0.00 O ATOM 971 CB GLU A 70 7.010 9.527 -5.637 1.00 0.00 C ATOM 972 CG GLU A 70 6.804 10.605 -6.703 1.00 0.00 C ATOM 973 CD GLU A 70 7.104 10.022 -8.085 1.00 0.00 C ATOM 974 OE1 GLU A 70 6.336 9.187 -8.533 1.00 0.00 O ATOM 975 OE2 GLU A 70 8.098 10.420 -8.670 1.00 0.00 O ATOM 0 H GLU A 70 4.264 10.487 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 70 6.580 9.251 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.072 9.423 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.667 8.563 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.779 10.975 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.457 11.455 -6.506 1.00 0.00 H new ATOM 982 N PRO A 71 6.724 11.573 -2.670 1.00 0.00 N ATOM 983 CA PRO A 71 6.996 12.918 -2.106 1.00 0.00 C ATOM 984 C PRO A 71 8.474 13.322 -2.274 1.00 0.00 C ATOM 985 O PRO A 71 9.280 12.575 -2.790 1.00 0.00 O ATOM 986 CB PRO A 71 6.660 12.750 -0.623 1.00 0.00 C ATOM 987 CG PRO A 71 6.781 11.237 -0.314 1.00 0.00 C ATOM 988 CD PRO A 71 6.684 10.497 -1.660 1.00 0.00 C ATOM 0 HA PRO A 71 6.421 13.699 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.344 13.329 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.654 13.110 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.728 11.018 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.988 10.916 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.510 9.798 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.763 9.919 -1.731 1.00 0.00 H new ATOM 996 N LYS A 72 8.824 14.516 -1.841 1.00 0.00 N ATOM 997 CA LYS A 72 10.242 14.994 -1.970 1.00 0.00 C ATOM 998 C LYS A 72 10.688 15.745 -0.705 1.00 0.00 C ATOM 999 O LYS A 72 11.535 16.610 -0.768 1.00 0.00 O ATOM 1000 CB LYS A 72 10.344 15.952 -3.152 1.00 0.00 C ATOM 1001 CG LYS A 72 9.606 15.368 -4.358 1.00 0.00 C ATOM 1002 CD LYS A 72 9.863 16.243 -5.586 1.00 0.00 C ATOM 1003 CE LYS A 72 8.991 17.498 -5.511 1.00 0.00 C ATOM 1004 NZ LYS A 72 9.824 18.658 -5.085 1.00 0.00 N ATOM 0 H LYS A 72 8.186 15.180 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 72 10.882 14.124 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.917 16.919 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.391 16.124 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.945 14.349 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.537 15.315 -4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.916 16.521 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.639 15.686 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.539 17.698 -6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.174 17.345 -4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.216 19.380 -4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.535 18.340 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.303 19.064 -5.914 1.00 0.00 H new ATOM 1018 N GLU A 73 10.139 15.446 0.439 1.00 0.00 N ATOM 1019 CA GLU A 73 10.568 16.160 1.663 1.00 0.00 C ATOM 1020 C GLU A 73 10.326 15.245 2.860 1.00 0.00 C ATOM 1021 O GLU A 73 10.177 14.050 2.716 1.00 0.00 O ATOM 1022 CB GLU A 73 9.754 17.452 1.800 1.00 0.00 C ATOM 1023 CG GLU A 73 8.267 17.111 1.936 1.00 0.00 C ATOM 1024 CD GLU A 73 7.584 18.157 2.821 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.292 18.886 3.496 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.366 18.210 2.807 1.00 0.00 O ATOM 0 H GLU A 73 9.415 14.740 0.575 1.00 0.00 H new ATOM 0 HA GLU A 73 11.626 16.418 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.090 18.014 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.913 18.088 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.797 17.087 0.953 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.149 16.118 2.370 1.00 0.00 H new ATOM 1033 N ALA A 74 10.248 15.793 4.031 1.00 0.00 N ATOM 1034 CA ALA A 74 9.969 14.953 5.225 1.00 0.00 C ATOM 1035 C ALA A 74 8.453 14.913 5.383 1.00 0.00 C ATOM 1036 O ALA A 74 7.811 15.936 5.522 1.00 0.00 O ATOM 1037 CB ALA A 74 10.621 15.568 6.464 1.00 0.00 C ATOM 0 H ALA A 74 10.365 16.789 4.217 1.00 0.00 H new ATOM 0 HA ALA A 74 10.375 13.948 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.410 14.945 7.333 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.699 15.630 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.219 16.568 6.628 1.00 0.00 H new ATOM 1043 N GLY A 75 7.862 13.756 5.302 1.00 0.00 N ATOM 1044 CA GLY A 75 6.378 13.688 5.379 1.00 0.00 C ATOM 1045 C GLY A 75 5.918 12.284 5.757 1.00 0.00 C ATOM 1046 O GLY A 75 6.648 11.322 5.649 1.00 0.00 O ATOM 0 H GLY A 75 8.337 12.861 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.015 14.405 6.115 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.946 13.971 4.419 1.00 0.00 H new ATOM 1050 N ASP A 76 4.701 12.167 6.195 1.00 0.00 N ATOM 1051 CA ASP A 76 4.158 10.838 6.579 1.00 0.00 C ATOM 1052 C ASP A 76 3.077 10.475 5.572 1.00 0.00 C ATOM 1053 O ASP A 76 2.545 11.325 4.886 1.00 0.00 O ATOM 1054 CB ASP A 76 3.554 10.911 7.984 1.00 0.00 C ATOM 1055 CG ASP A 76 2.806 12.234 8.150 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.946 12.515 7.330 1.00 0.00 O ATOM 1057 OD2 ASP A 76 3.104 12.946 9.095 1.00 0.00 O ATOM 0 H ASP A 76 4.050 12.945 6.305 1.00 0.00 H new ATOM 0 HA ASP A 76 4.948 10.087 6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.874 10.074 8.143 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.341 10.829 8.734 1.00 0.00 H new ATOM 1062 N TYR A 77 2.782 9.220 5.437 1.00 0.00 N ATOM 1063 CA TYR A 77 1.774 8.813 4.425 1.00 0.00 C ATOM 1064 C TYR A 77 0.535 8.259 5.086 1.00 0.00 C ATOM 1065 O TYR A 77 0.594 7.491 6.021 1.00 0.00 O ATOM 1066 CB TYR A 77 2.328 7.696 3.547 1.00 0.00 C ATOM 1067 CG TYR A 77 3.762 7.954 3.219 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.169 9.238 2.872 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.673 6.896 3.219 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.499 9.476 2.526 1.00 0.00 C ATOM 1071 CE2 TYR A 77 6.002 7.126 2.867 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.419 8.419 2.519 1.00 0.00 C ATOM 1073 OH TYR A 77 7.733 8.651 2.168 1.00 0.00 O ATOM 0 H TYR A 77 3.191 8.459 5.979 1.00 0.00 H new ATOM 0 HA TYR A 77 1.536 9.701 3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.232 6.740 4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.746 7.624 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.456 10.049 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.349 5.902 3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.819 10.474 2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.709 6.310 2.862 1.00 0.00 H new ATOM 0 HH TYR A 77 7.961 9.586 2.354 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.585 8.609 4.549 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.859 8.074 5.069 1.00 0.00 C ATOM 1085 C VAL A 78 -2.435 7.215 3.963 1.00 0.00 C ATOM 1086 O VAL A 78 -2.528 7.634 2.816 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.812 9.203 5.428 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.698 10.311 4.384 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.245 8.669 5.469 1.00 0.00 C ATOM 0 H VAL A 78 -0.675 9.251 3.762 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.704 7.496 5.980 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.554 9.604 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.380 11.122 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.676 10.689 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.957 9.914 3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.928 9.479 5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.511 8.267 4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.318 7.881 6.218 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.765 6.006 4.276 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.274 5.098 3.213 1.00 0.00 C ATOM 1101 C ILE A 79 -4.776 4.913 3.296 1.00 0.00 C ATOM 1102 O ILE A 79 -5.407 5.103 4.315 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.593 3.727 3.310 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.419 3.782 4.298 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.073 3.319 1.930 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.729 2.419 4.352 1.00 0.00 C ATOM 0 H ILE A 79 -2.708 5.603 5.211 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.038 5.564 2.256 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.321 2.997 3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.708 4.549 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.778 4.059 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.589 2.345 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.906 3.263 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.353 4.059 1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.104 2.460 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.442 1.663 4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.356 2.161 3.361 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.338 4.530 2.198 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.788 4.289 2.138 1.00 0.00 C ATOM 1120 C ASN A 80 -7.046 3.212 1.091 1.00 0.00 C ATOM 1121 O ASN A 80 -6.844 3.417 -0.087 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.500 5.567 1.734 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.847 6.765 2.427 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.267 7.130 3.606 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -5.943 7.374 1.888 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.841 4.371 1.322 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.159 3.970 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.456 5.692 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.554 5.508 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.615 7.088 0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.513 8.171 2.358 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.502 2.076 1.516 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.804 0.968 0.571 1.00 0.00 C ATOM 1134 C LEU A 81 -9.042 0.276 1.098 1.00 0.00 C ATOM 1135 O LEU A 81 -9.101 -0.087 2.252 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.643 -0.022 0.508 1.00 0.00 C ATOM 1137 CG LEU A 81 -7.152 -1.378 0.036 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -6.023 -2.137 -0.645 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.636 -2.164 1.250 1.00 0.00 C ATOM 0 H LEU A 81 -7.683 1.861 2.496 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.959 1.354 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.875 0.346 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.180 -0.118 1.490 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.969 -1.244 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.388 -3.107 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.666 -1.566 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.205 -2.283 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.004 -3.139 0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.810 -2.300 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.440 -1.616 1.741 1.00 0.00 H new ATOM 1151 N THR A 82 -10.034 0.128 0.281 1.00 0.00 N ATOM 1152 CA THR A 82 -11.295 -0.490 0.766 1.00 0.00 C ATOM 1153 C THR A 82 -11.875 -1.454 -0.261 1.00 0.00 C ATOM 1154 O THR A 82 -11.902 -1.184 -1.446 1.00 0.00 O ATOM 1155 CB THR A 82 -12.290 0.645 1.039 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.301 1.564 -0.047 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.870 1.379 2.308 1.00 0.00 C ATOM 0 H THR A 82 -10.031 0.406 -0.700 1.00 0.00 H new ATOM 0 HA THR A 82 -11.096 -1.065 1.670 1.00 0.00 H new ATOM 0 HB THR A 82 -13.288 0.223 1.158 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.057 2.180 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.572 2.188 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.867 0.683 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.870 1.791 2.176 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.359 -2.581 0.196 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.966 -3.564 -0.760 1.00 0.00 C ATOM 1167 C LEU A 83 -14.267 -4.103 -0.167 1.00 0.00 C ATOM 1168 O LEU A 83 -14.324 -5.229 0.269 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.990 -4.727 -1.009 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.463 -5.605 -2.191 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.470 -6.640 -1.687 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.134 -4.741 -3.265 1.00 0.00 C ATOM 0 H LEU A 83 -12.362 -2.863 1.176 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.172 -3.067 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.996 -4.333 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.908 -5.336 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.595 -6.104 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.803 -7.259 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.998 -7.270 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.327 -6.130 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.461 -5.374 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.996 -4.231 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.423 -4.003 -3.635 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.297 -3.285 -0.156 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.636 -3.682 0.392 1.00 0.00 C ATOM 1186 C ASP A 84 -17.237 -2.482 1.117 1.00 0.00 C ATOM 1187 O ASP A 84 -18.433 -2.379 1.295 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.552 -4.870 1.361 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.576 -6.184 0.575 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.452 -6.129 -0.637 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.716 -7.223 1.201 1.00 0.00 O ATOM 0 H ASP A 84 -15.262 -2.331 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.260 -3.995 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.638 -4.806 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.387 -4.839 2.061 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.401 -1.578 1.557 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.902 -0.394 2.295 1.00 0.00 C ATOM 1198 C GLY A 85 -15.994 -0.133 3.502 1.00 0.00 C ATOM 1199 O GLY A 85 -16.149 0.851 4.198 1.00 0.00 O ATOM 0 H GLY A 85 -15.389 -1.614 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.917 0.478 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.927 -0.563 2.625 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.033 -0.994 3.753 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.124 -0.763 4.901 1.00 0.00 C ATOM 1205 C ASP A 86 -12.701 -0.756 4.360 1.00 0.00 C ATOM 1206 O ASP A 86 -12.485 -1.013 3.196 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.281 -1.890 5.927 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.453 -1.575 6.857 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -16.563 -1.467 6.362 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.221 -1.449 8.048 1.00 0.00 O ATOM 0 H ASP A 86 -14.847 -1.838 3.211 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.357 0.182 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.452 -2.838 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.364 -2.000 6.505 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.727 -0.474 5.170 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.336 -0.466 4.652 1.00 0.00 C ATOM 1217 C ASN A 87 -9.578 -1.640 5.241 1.00 0.00 C ATOM 1218 O ASN A 87 -9.973 -2.217 6.236 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.639 0.842 5.038 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.675 1.961 5.185 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -11.615 1.836 5.945 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.543 3.054 4.485 1.00 0.00 N ATOM 0 H ASN A 87 -11.830 -0.250 6.160 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.356 -0.548 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.096 0.712 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.905 1.111 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.229 3.804 4.576 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.754 3.159 3.847 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.495 -2.012 4.629 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.723 -3.166 5.157 1.00 0.00 C ATOM 1231 C VAL A 88 -7.132 -2.787 6.527 1.00 0.00 C ATOM 1232 O VAL A 88 -7.218 -1.652 6.951 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.621 -3.536 4.156 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.473 -4.270 4.853 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.224 -4.456 3.098 1.00 0.00 C ATOM 0 H VAL A 88 -8.112 -1.572 3.792 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.370 -4.034 5.288 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.227 -2.624 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.705 -4.521 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.045 -3.628 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.851 -5.184 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.456 -4.732 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.612 -5.355 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.035 -3.939 2.586 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.570 -3.732 7.242 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.022 -3.421 8.600 1.00 0.00 C ATOM 1247 C ASN A 89 -4.639 -2.762 8.523 1.00 0.00 C ATOM 1248 O ASN A 89 -3.878 -2.797 9.470 1.00 0.00 O ATOM 1249 CB ASN A 89 -5.919 -4.712 9.410 1.00 0.00 C ATOM 1250 CG ASN A 89 -6.414 -4.457 10.836 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -7.527 -4.014 11.034 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -5.627 -4.720 11.842 1.00 0.00 N ATOM 0 H ASN A 89 -6.467 -4.702 6.945 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.702 -2.718 9.082 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.513 -5.497 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.887 -5.062 9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.946 -4.554 12.796 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.692 -5.092 11.675 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.312 -2.154 7.426 1.00 0.00 N ATOM 1260 CA GLY A 90 -2.983 -1.482 7.313 1.00 0.00 C ATOM 1261 C GLY A 90 -3.100 -0.274 6.381 1.00 0.00 C ATOM 1262 O GLY A 90 -2.122 0.204 5.842 1.00 0.00 O ATOM 0 H GLY A 90 -4.903 -2.089 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.640 -1.164 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.241 -2.182 6.928 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.296 0.199 6.159 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.489 1.349 5.233 1.00 0.00 C ATOM 1268 C PHE A 91 -4.913 2.625 5.941 1.00 0.00 C ATOM 1269 O PHE A 91 -4.352 3.661 5.662 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.516 0.973 4.194 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.756 0.570 2.980 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.184 -0.697 2.915 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.601 1.469 1.930 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.458 -1.071 1.790 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.877 1.104 0.802 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.302 -0.172 0.728 1.00 0.00 C ATOM 0 H PHE A 91 -5.151 -0.164 6.581 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.525 1.560 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.145 0.156 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.176 1.813 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.304 -1.388 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.044 2.452 1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.015 -2.054 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.758 1.801 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.739 -0.461 -0.147 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.850 2.560 6.854 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.266 3.764 7.569 1.00 0.00 C ATOM 1288 C PRO A 92 -5.169 4.149 8.557 1.00 0.00 C ATOM 1289 O PRO A 92 -5.369 4.943 9.454 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.572 3.359 8.255 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.557 1.818 8.340 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.550 1.331 7.280 1.00 0.00 C ATOM 0 HA PRO A 92 -6.423 4.637 6.936 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.643 3.802 9.248 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.434 3.709 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.262 1.487 9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.549 1.409 8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.856 0.601 7.696 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.055 0.850 6.443 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.990 3.601 8.374 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.866 3.941 9.265 1.00 0.00 C ATOM 1302 C LYS A 93 -1.992 4.958 8.552 1.00 0.00 C ATOM 1303 O LYS A 93 -2.217 5.299 7.396 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.058 2.678 9.572 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.203 2.904 10.821 1.00 0.00 C ATOM 1306 CD LYS A 93 -0.917 1.559 11.493 1.00 0.00 C ATOM 1307 CE LYS A 93 0.344 1.672 12.350 1.00 0.00 C ATOM 1308 NZ LYS A 93 -0.038 1.936 13.765 1.00 0.00 N ATOM 0 H LYS A 93 -3.770 2.930 7.638 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.232 4.356 10.204 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.730 1.834 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.421 2.427 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.268 3.394 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.721 3.566 11.515 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.764 1.263 12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.787 0.784 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.924 0.752 12.285 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.979 2.476 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.820 2.013 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.574 2.825 13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.627 1.154 14.117 1.00 0.00 H new ATOM 1322 N THR A 94 -1.010 5.459 9.227 1.00 0.00 N ATOM 1323 CA THR A 94 -0.139 6.465 8.594 1.00 0.00 C ATOM 1324 C THR A 94 1.314 6.045 8.700 1.00 0.00 C ATOM 1325 O THR A 94 1.808 5.726 9.763 1.00 0.00 O ATOM 1326 CB THR A 94 -0.335 7.805 9.295 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.721 8.115 9.330 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.419 8.887 8.530 1.00 0.00 C ATOM 0 H THR A 94 -0.773 5.215 10.189 1.00 0.00 H new ATOM 0 HA THR A 94 -0.401 6.554 7.540 1.00 0.00 H new ATOM 0 HB THR A 94 0.048 7.752 10.314 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.853 8.975 9.781 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.282 9.847 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.480 8.641 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.035 8.948 7.512 1.00 0.00 H new ATOM 1336 N VAL A 95 2.009 6.072 7.606 1.00 0.00 N ATOM 1337 CA VAL A 95 3.447 5.702 7.653 1.00 0.00 C ATOM 1338 C VAL A 95 4.258 6.996 7.733 1.00 0.00 C ATOM 1339 O VAL A 95 3.782 8.052 7.366 1.00 0.00 O ATOM 1340 CB VAL A 95 3.827 4.868 6.419 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.324 4.946 6.159 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.479 3.406 6.673 1.00 0.00 C ATOM 0 H VAL A 95 1.650 6.331 6.687 1.00 0.00 H new ATOM 0 HA VAL A 95 3.660 5.085 8.526 1.00 0.00 H new ATOM 0 HB VAL A 95 3.281 5.260 5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.572 4.349 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.609 5.983 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.864 4.561 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.747 2.811 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.031 3.046 7.541 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.409 3.314 6.860 1.00 0.00 H new ATOM 1352 N THR A 96 5.446 6.950 8.270 1.00 0.00 N ATOM 1353 CA THR A 96 6.213 8.219 8.429 1.00 0.00 C ATOM 1354 C THR A 96 7.543 8.217 7.670 1.00 0.00 C ATOM 1355 O THR A 96 8.230 7.220 7.559 1.00 0.00 O ATOM 1356 CB THR A 96 6.497 8.438 9.919 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.271 8.594 10.625 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.355 9.692 10.102 1.00 0.00 C ATOM 0 H THR A 96 5.913 6.105 8.600 1.00 0.00 H new ATOM 0 HA THR A 96 5.604 9.020 8.011 1.00 0.00 H new ATOM 0 HB THR A 96 7.032 7.573 10.311 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.457 8.732 11.577 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.555 9.845 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.298 9.569 9.569 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.824 10.557 9.705 1.00 0.00 H new ATOM 1366 N VAL A 97 7.909 9.377 7.199 1.00 0.00 N ATOM 1367 CA VAL A 97 9.199 9.580 6.483 1.00 0.00 C ATOM 1368 C VAL A 97 9.778 10.911 6.973 1.00 0.00 C ATOM 1369 O VAL A 97 9.077 11.902 7.059 1.00 0.00 O ATOM 1370 CB VAL A 97 8.973 9.628 4.967 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.105 10.399 4.318 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.997 8.216 4.386 1.00 0.00 C ATOM 0 H VAL A 97 7.345 10.223 7.285 1.00 0.00 H new ATOM 0 HA VAL A 97 9.884 8.757 6.686 1.00 0.00 H new ATOM 0 HB VAL A 97 8.010 10.101 4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.949 10.436 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.129 11.413 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.052 9.903 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.835 8.263 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.964 7.756 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.208 7.620 4.846 1.00 0.00 H new ATOM 1382 N LYS A 98 11.035 10.946 7.316 1.00 0.00 N ATOM 1383 CA LYS A 98 11.611 12.227 7.829 1.00 0.00 C ATOM 1384 C LYS A 98 12.856 12.669 7.040 1.00 0.00 C ATOM 1385 O LYS A 98 12.839 13.720 6.433 1.00 0.00 O ATOM 1386 CB LYS A 98 11.968 12.066 9.308 1.00 0.00 C ATOM 1387 CG LYS A 98 10.864 12.687 10.166 1.00 0.00 C ATOM 1388 CD LYS A 98 11.273 12.644 11.639 1.00 0.00 C ATOM 1389 CE LYS A 98 11.395 14.071 12.176 1.00 0.00 C ATOM 1390 NZ LYS A 98 10.537 14.224 13.385 1.00 0.00 N ATOM 0 H LYS A 98 11.682 10.159 7.266 1.00 0.00 H new ATOM 0 HA LYS A 98 10.856 13.002 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.084 11.010 9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.922 12.549 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.686 13.717 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.929 12.145 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.534 12.089 12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.223 12.120 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.434 14.290 12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.093 14.786 11.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.621 15.194 13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.546 14.033 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.845 13.552 14.116 1.00 0.00 H new ATOM 1404 N PRO A 99 13.915 11.891 7.089 1.00 0.00 N ATOM 1405 CA PRO A 99 15.169 12.250 6.400 1.00 0.00 C ATOM 1406 C PRO A 99 15.067 12.058 4.883 1.00 0.00 C ATOM 1407 O PRO A 99 15.657 11.156 4.323 1.00 0.00 O ATOM 1408 CB PRO A 99 16.205 11.303 7.013 1.00 0.00 C ATOM 1409 CG PRO A 99 15.416 10.107 7.589 1.00 0.00 C ATOM 1410 CD PRO A 99 13.972 10.598 7.809 1.00 0.00 C ATOM 0 HA PRO A 99 15.425 13.301 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.920 10.970 6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.775 11.805 7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.437 9.261 6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.857 9.767 8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.245 9.889 7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.751 10.722 8.869 1.00 0.00 H new ATOM 1418 N ALA A 100 14.348 12.918 4.208 1.00 0.00 N ATOM 1419 CA ALA A 100 14.247 12.794 2.727 1.00 0.00 C ATOM 1420 C ALA A 100 15.514 13.374 2.077 1.00 0.00 C ATOM 1421 O ALA A 100 16.090 12.755 1.204 1.00 0.00 O ATOM 1422 CB ALA A 100 13.010 13.544 2.212 1.00 0.00 C ATOM 0 H ALA A 100 13.830 13.696 4.617 1.00 0.00 H new ATOM 0 HA ALA A 100 14.151 11.740 2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.949 13.445 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.113 13.122 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.088 14.599 2.476 1.00 0.00 H new TER 1428 ALA A 100