USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=20 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 144:sc= -11! USER MOD Set 1.2: A 77 TYR OH : rot 19:sc= -4.77! USER MOD Single : A 1 ALA N :NH3+ -136:sc= 0.048 (180deg=-0.0242) USER MOD Single : A 5 LYS NZ :NH3+ -139:sc= -0.41 (180deg=-2.63!) USER MOD Single : A 6 SER OG : rot 88:sc= -4.21! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -175:sc= -0.146! USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0368) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -0.799 (180deg=-1.35) USER MOD Single : A 27 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-5.8!) USER MOD Single : A 35 HIS : no HE2:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 37 THR OG1 : rot -5:sc= 1.31! USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.2!) USER MOD Single : A 64 THR OG1 : rot 14:sc= 0.185 USER MOD Single : A 65 TYR OH : rot 101:sc= -0.026 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.131) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.69! C(o=-3.5!,f=-1.7!) USER MOD Single : A 82 THR OG1 : rot 16:sc= -6.69! USER MOD Single : A 87 ASN : amide:sc= -2.62! C(o=-2.6!,f=-4.2!) USER MOD Single : A 89 ASN : amide:sc= -0.375 K(o=-0.38,f=-1.1) USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.056) 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 -18.871 -11.022 -0.417 1.00 0.00 N ATOM 2 CA ALA A 1 -17.829 -10.248 -1.149 1.00 0.00 C ATOM 3 C ALA A 1 -16.453 -10.561 -0.570 1.00 0.00 C ATOM 4 O ALA A 1 -16.202 -11.643 -0.078 1.00 0.00 O ATOM 5 CB ALA A 1 -18.118 -8.747 -1.023 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.543 -11.430 -1.098 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.419 -11.787 0.124 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.379 -10.390 0.235 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.845 -10.529 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.355 -8.183 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.097 -8.528 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.108 -8.462 0.029 1.00 0.00 H new ATOM 13 N ASP A 2 -15.555 -9.623 -0.640 1.00 0.00 N ATOM 14 CA ASP A 2 -14.183 -9.857 -0.112 1.00 0.00 C ATOM 15 C ASP A 2 -13.863 -8.925 1.077 1.00 0.00 C ATOM 16 O ASP A 2 -12.794 -8.354 1.139 1.00 0.00 O ATOM 17 CB ASP A 2 -13.179 -9.615 -1.234 1.00 0.00 C ATOM 18 CG ASP A 2 -11.782 -9.733 -0.655 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.671 -10.282 0.424 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.849 -9.277 -1.295 1.00 0.00 O ATOM 0 H ASP A 2 -15.712 -8.699 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.120 -10.885 0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.321 -10.341 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.327 -8.627 -1.670 1.00 0.00 H new ATOM 25 N PRO A 3 -14.762 -8.822 2.022 1.00 0.00 N ATOM 26 CA PRO A 3 -14.520 -8.006 3.223 1.00 0.00 C ATOM 27 C PRO A 3 -13.595 -8.780 4.169 1.00 0.00 C ATOM 28 O PRO A 3 -13.288 -8.339 5.258 1.00 0.00 O ATOM 29 CB PRO A 3 -15.910 -7.849 3.843 1.00 0.00 C ATOM 30 CG PRO A 3 -16.750 -9.031 3.309 1.00 0.00 C ATOM 31 CD PRO A 3 -16.083 -9.481 1.996 1.00 0.00 C ATOM 0 HA PRO A 3 -14.049 -7.045 3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.856 -7.869 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.357 -6.895 3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.775 -9.847 4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.782 -8.727 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.987 -10.566 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.665 -9.174 1.127 1.00 0.00 H new ATOM 39 N GLU A 4 -13.178 -9.954 3.764 1.00 0.00 N ATOM 40 CA GLU A 4 -12.307 -10.791 4.633 1.00 0.00 C ATOM 41 C GLU A 4 -11.146 -11.385 3.831 1.00 0.00 C ATOM 42 O GLU A 4 -10.457 -12.270 4.299 1.00 0.00 O ATOM 43 CB GLU A 4 -13.148 -11.940 5.157 1.00 0.00 C ATOM 44 CG GLU A 4 -13.055 -12.011 6.684 1.00 0.00 C ATOM 45 CD GLU A 4 -11.605 -12.269 7.098 1.00 0.00 C ATOM 46 OE1 GLU A 4 -11.041 -13.245 6.631 1.00 0.00 O ATOM 47 OE2 GLU A 4 -11.084 -11.486 7.876 1.00 0.00 O ATOM 0 H GLU A 4 -13.408 -10.368 2.861 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.905 -10.176 5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.187 -11.807 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.806 -12.879 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.409 -11.079 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.698 -12.806 7.061 1.00 0.00 H new ATOM 54 N LYS A 5 -10.921 -10.929 2.635 1.00 0.00 N ATOM 55 CA LYS A 5 -9.807 -11.497 1.831 1.00 0.00 C ATOM 56 C LYS A 5 -9.242 -10.396 0.950 1.00 0.00 C ATOM 57 O LYS A 5 -8.849 -10.617 -0.180 1.00 0.00 O ATOM 58 CB LYS A 5 -10.328 -12.645 0.963 1.00 0.00 C ATOM 59 CG LYS A 5 -9.210 -13.665 0.743 1.00 0.00 C ATOM 60 CD LYS A 5 -8.883 -14.365 2.062 1.00 0.00 C ATOM 61 CE LYS A 5 -8.315 -15.755 1.770 1.00 0.00 C ATOM 62 NZ LYS A 5 -9.281 -16.521 0.933 1.00 0.00 N ATOM 0 H LYS A 5 -11.457 -10.190 2.180 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.029 -11.884 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.181 -13.122 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.678 -12.261 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.516 -14.399 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.322 -13.167 0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.162 -13.777 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.780 -14.448 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.359 -15.668 1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.126 -16.285 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.326 -17.505 1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.223 -16.087 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.969 -16.507 -0.059 1.00 0.00 H new ATOM 76 N SER A 6 -9.214 -9.204 1.464 1.00 0.00 N ATOM 77 CA SER A 6 -8.684 -8.068 0.667 1.00 0.00 C ATOM 78 C SER A 6 -7.426 -7.541 1.346 1.00 0.00 C ATOM 79 O SER A 6 -7.449 -7.125 2.486 1.00 0.00 O ATOM 80 CB SER A 6 -9.716 -6.943 0.601 1.00 0.00 C ATOM 81 OG SER A 6 -10.948 -7.450 0.118 1.00 0.00 O ATOM 0 H SER A 6 -9.535 -8.965 2.402 1.00 0.00 H new ATOM 0 HA SER A 6 -8.462 -8.410 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.855 -6.506 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.359 -6.147 -0.052 1.00 0.00 H new ATOM 0 HG SER A 6 -11.481 -7.785 0.869 1.00 0.00 H new ATOM 87 N TYR A 7 -6.324 -7.578 0.660 1.00 0.00 N ATOM 88 CA TYR A 7 -5.051 -7.097 1.273 1.00 0.00 C ATOM 89 C TYR A 7 -4.193 -6.359 0.237 1.00 0.00 C ATOM 90 O TYR A 7 -4.130 -6.734 -0.917 1.00 0.00 O ATOM 91 CB TYR A 7 -4.269 -8.300 1.803 1.00 0.00 C ATOM 92 CG TYR A 7 -4.348 -9.424 0.799 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.540 -10.142 0.646 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.231 -9.747 0.019 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.616 -11.183 -0.287 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.306 -10.789 -0.914 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.499 -11.507 -1.066 1.00 0.00 C ATOM 98 OH TYR A 7 -4.573 -12.533 -1.987 1.00 0.00 O ATOM 0 H TYR A 7 -6.244 -7.919 -0.298 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.290 -6.409 2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.229 -8.025 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.678 -8.622 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.401 -9.893 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.312 -9.193 0.137 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.536 -11.736 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.445 -11.039 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.711 -12.625 -2.444 1.00 0.00 H new ATOM 108 N ALA A 8 -3.512 -5.323 0.659 1.00 0.00 N ATOM 109 CA ALA A 8 -2.628 -4.564 -0.274 1.00 0.00 C ATOM 110 C ALA A 8 -1.224 -4.522 0.312 1.00 0.00 C ATOM 111 O ALA A 8 -1.032 -4.165 1.457 1.00 0.00 O ATOM 112 CB ALA A 8 -3.134 -3.134 -0.444 1.00 0.00 C ATOM 0 H ALA A 8 -3.532 -4.970 1.616 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.627 -5.057 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.478 -2.595 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.145 -3.152 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.141 -2.633 0.524 1.00 0.00 H new ATOM 118 N GLU A 9 -0.236 -4.886 -0.451 1.00 0.00 N ATOM 119 CA GLU A 9 1.147 -4.862 0.096 1.00 0.00 C ATOM 120 C GLU A 9 2.134 -4.512 -1.013 1.00 0.00 C ATOM 121 O GLU A 9 1.978 -4.909 -2.155 1.00 0.00 O ATOM 122 CB GLU A 9 1.489 -6.237 0.672 1.00 0.00 C ATOM 123 CG GLU A 9 1.169 -7.319 -0.364 1.00 0.00 C ATOM 124 CD GLU A 9 2.054 -8.543 -0.119 1.00 0.00 C ATOM 125 OE1 GLU A 9 3.246 -8.359 0.068 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.525 -9.642 -0.124 1.00 0.00 O ATOM 0 H GLU A 9 -0.322 -5.196 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 9 1.212 -4.111 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.544 -6.278 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.920 -6.413 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.118 -7.599 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.335 -6.934 -1.370 1.00 0.00 H new ATOM 133 N GLY A 10 3.141 -3.755 -0.689 1.00 0.00 N ATOM 134 CA GLY A 10 4.134 -3.377 -1.721 1.00 0.00 C ATOM 135 C GLY A 10 5.417 -2.871 -1.064 1.00 0.00 C ATOM 136 O GLY A 10 5.467 -2.679 0.135 1.00 0.00 O ATOM 0 H GLY A 10 3.317 -3.383 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.356 -4.237 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.720 -2.604 -2.368 1.00 0.00 H new ATOM 140 N PRO A 11 6.401 -2.616 -1.891 1.00 0.00 N ATOM 141 CA PRO A 11 7.686 -2.059 -1.444 1.00 0.00 C ATOM 142 C PRO A 11 7.524 -0.546 -1.241 1.00 0.00 C ATOM 143 O PRO A 11 8.476 0.173 -1.012 1.00 0.00 O ATOM 144 CB PRO A 11 8.633 -2.356 -2.612 1.00 0.00 C ATOM 145 CG PRO A 11 7.738 -2.538 -3.862 1.00 0.00 C ATOM 146 CD PRO A 11 6.324 -2.868 -3.345 1.00 0.00 C ATOM 0 HA PRO A 11 8.050 -2.475 -0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.341 -1.539 -2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.219 -3.255 -2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.728 -1.631 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.116 -3.340 -4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.570 -2.239 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.054 -3.903 -3.556 1.00 0.00 H new ATOM 154 N GLY A 12 6.307 -0.069 -1.331 1.00 0.00 N ATOM 155 CA GLY A 12 6.027 1.380 -1.161 1.00 0.00 C ATOM 156 C GLY A 12 5.124 1.560 0.053 1.00 0.00 C ATOM 157 O GLY A 12 4.454 0.642 0.444 1.00 0.00 O ATOM 0 H GLY A 12 5.483 -0.640 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.957 1.932 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.546 1.780 -2.053 1.00 0.00 H new ATOM 161 N LEU A 13 5.110 2.727 0.645 1.00 0.00 N ATOM 162 CA LEU A 13 4.239 2.976 1.842 1.00 0.00 C ATOM 163 C LEU A 13 4.995 2.643 3.119 1.00 0.00 C ATOM 164 O LEU A 13 4.560 2.948 4.212 1.00 0.00 O ATOM 165 CB LEU A 13 2.927 2.178 1.717 1.00 0.00 C ATOM 166 CG LEU A 13 2.862 0.918 2.618 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.671 1.040 3.561 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.662 -0.334 1.755 1.00 0.00 C ATOM 0 H LEU A 13 5.669 3.528 0.350 1.00 0.00 H new ATOM 0 HA LEU A 13 3.975 4.033 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.092 2.832 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.796 1.875 0.678 1.00 0.00 H new ATOM 0 HG LEU A 13 3.793 0.836 3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.619 0.157 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.788 1.929 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.753 1.122 2.979 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.617 -1.214 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.731 -0.245 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.495 -0.433 1.059 1.00 0.00 H new ATOM 180 N ASP A 14 6.143 2.056 2.988 1.00 0.00 N ATOM 181 CA ASP A 14 6.951 1.744 4.196 1.00 0.00 C ATOM 182 C ASP A 14 7.406 3.063 4.806 1.00 0.00 C ATOM 183 O ASP A 14 7.787 3.146 5.957 1.00 0.00 O ATOM 184 CB ASP A 14 8.182 0.950 3.797 1.00 0.00 C ATOM 185 CG ASP A 14 7.812 -0.077 2.725 1.00 0.00 C ATOM 186 OD1 ASP A 14 6.694 -0.564 2.760 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.653 -0.359 1.888 1.00 0.00 O ATOM 0 H ASP A 14 6.560 1.778 2.100 1.00 0.00 H new ATOM 0 HA ASP A 14 6.358 1.164 4.903 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.953 1.622 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.599 0.445 4.669 1.00 0.00 H new ATOM 192 N GLY A 15 7.358 4.098 4.018 1.00 0.00 N ATOM 193 CA GLY A 15 7.774 5.447 4.504 1.00 0.00 C ATOM 194 C GLY A 15 9.291 5.543 4.605 1.00 0.00 C ATOM 195 O GLY A 15 10.017 5.237 3.680 1.00 0.00 O ATOM 0 H GLY A 15 7.046 4.070 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.401 6.214 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.327 5.641 5.479 1.00 0.00 H new ATOM 199 N GLY A 16 9.767 5.980 5.737 1.00 0.00 N ATOM 200 CA GLY A 16 11.238 6.118 5.937 1.00 0.00 C ATOM 201 C GLY A 16 11.820 7.197 5.028 1.00 0.00 C ATOM 202 O GLY A 16 12.435 8.137 5.491 1.00 0.00 O ATOM 0 H GLY A 16 9.197 6.250 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.444 6.366 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.726 5.165 5.733 1.00 0.00 H new ATOM 206 N GLU A 17 11.669 7.063 3.742 1.00 0.00 N ATOM 207 CA GLU A 17 12.261 8.081 2.835 1.00 0.00 C ATOM 208 C GLU A 17 11.233 8.613 1.840 1.00 0.00 C ATOM 209 O GLU A 17 10.394 7.892 1.337 1.00 0.00 O ATOM 210 CB GLU A 17 13.393 7.445 2.049 1.00 0.00 C ATOM 211 CG GLU A 17 14.594 7.211 2.965 1.00 0.00 C ATOM 212 CD GLU A 17 15.387 6.001 2.469 1.00 0.00 C ATOM 213 OE1 GLU A 17 16.218 6.182 1.593 1.00 0.00 O ATOM 214 OE2 GLU A 17 15.148 4.914 2.969 1.00 0.00 O ATOM 0 H GLU A 17 11.167 6.302 3.284 1.00 0.00 H new ATOM 0 HA GLU A 17 12.618 8.909 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.063 6.499 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.678 8.090 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.231 8.095 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.257 7.044 3.988 1.00 0.00 H new ATOM 221 N CYS A 18 11.315 9.877 1.550 1.00 0.00 N ATOM 222 CA CYS A 18 10.359 10.493 0.569 1.00 0.00 C ATOM 223 C CYS A 18 10.928 10.369 -0.848 1.00 0.00 C ATOM 224 O CYS A 18 10.207 10.458 -1.822 1.00 0.00 O ATOM 225 CB CYS A 18 10.152 11.990 0.851 1.00 0.00 C ATOM 226 SG CYS A 18 8.728 12.242 1.948 1.00 0.00 S ATOM 0 H CYS A 18 12.001 10.519 1.946 1.00 0.00 H new ATOM 0 HA CYS A 18 9.409 9.968 0.665 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.049 12.407 1.309 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.995 12.524 -0.086 1.00 0.00 H new ATOM 0 HG CYS A 18 8.970 13.234 2.753 1.00 0.00 H new ATOM 232 N PHE A 19 12.214 10.183 -0.979 1.00 0.00 N ATOM 233 CA PHE A 19 12.805 10.079 -2.349 1.00 0.00 C ATOM 234 C PHE A 19 12.786 8.634 -2.815 1.00 0.00 C ATOM 235 O PHE A 19 13.384 8.276 -3.810 1.00 0.00 O ATOM 236 CB PHE A 19 14.228 10.639 -2.359 1.00 0.00 C ATOM 237 CG PHE A 19 14.103 12.135 -2.372 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.248 12.740 -3.297 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.784 12.910 -1.433 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.065 14.119 -3.276 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.609 14.297 -1.422 1.00 0.00 C ATOM 242 CZ PHE A 19 13.742 14.896 -2.339 1.00 0.00 C ATOM 0 H PHE A 19 12.876 10.099 -0.208 1.00 0.00 H new ATOM 0 HA PHE A 19 12.205 10.671 -3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.782 10.305 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.776 10.289 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.729 12.137 -4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.443 12.441 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.399 14.587 -3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 19 15.143 14.904 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.596 15.966 -2.321 1.00 0.00 H new ATOM 252 N GLN A 20 12.049 7.816 -2.133 1.00 0.00 N ATOM 253 CA GLN A 20 11.919 6.408 -2.557 1.00 0.00 C ATOM 254 C GLN A 20 10.592 6.322 -3.301 1.00 0.00 C ATOM 255 O GLN A 20 9.644 6.987 -2.931 1.00 0.00 O ATOM 256 CB GLN A 20 11.893 5.496 -1.324 1.00 0.00 C ATOM 257 CG GLN A 20 12.448 4.116 -1.684 1.00 0.00 C ATOM 258 CD GLN A 20 12.871 3.390 -0.405 1.00 0.00 C ATOM 259 OE1 GLN A 20 13.968 3.581 0.082 1.00 0.00 O ATOM 260 NE2 GLN A 20 12.042 2.558 0.164 1.00 0.00 N ATOM 0 H GLN A 20 11.527 8.066 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 20 12.752 6.093 -3.185 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.485 5.937 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.873 5.401 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.693 3.535 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.300 4.218 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.121 2.397 -0.244 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.315 2.069 1.016 1.00 0.00 H new ATOM 269 N PRO A 21 10.547 5.530 -4.327 1.00 0.00 N ATOM 270 CA PRO A 21 9.324 5.384 -5.120 1.00 0.00 C ATOM 271 C PRO A 21 8.287 4.646 -4.285 1.00 0.00 C ATOM 272 O PRO A 21 8.574 3.622 -3.697 1.00 0.00 O ATOM 273 CB PRO A 21 9.777 4.582 -6.344 1.00 0.00 C ATOM 274 CG PRO A 21 11.082 3.864 -5.929 1.00 0.00 C ATOM 275 CD PRO A 21 11.676 4.691 -4.773 1.00 0.00 C ATOM 0 HA PRO A 21 8.860 6.323 -5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.014 3.862 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.948 5.238 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.880 2.841 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.778 3.807 -6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.041 4.051 -3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.518 5.297 -5.106 1.00 0.00 H new ATOM 283 N SER A 22 7.092 5.161 -4.192 1.00 0.00 N ATOM 284 CA SER A 22 6.089 4.474 -3.355 1.00 0.00 C ATOM 285 C SER A 22 5.098 3.751 -4.252 1.00 0.00 C ATOM 286 O SER A 22 4.325 4.365 -4.955 1.00 0.00 O ATOM 287 CB SER A 22 5.363 5.526 -2.554 1.00 0.00 C ATOM 288 OG SER A 22 5.262 5.098 -1.203 1.00 0.00 O ATOM 0 H SER A 22 6.777 6.014 -4.654 1.00 0.00 H new ATOM 0 HA SER A 22 6.567 3.750 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.897 6.475 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.370 5.695 -2.970 1.00 0.00 H new ATOM 0 HG SER A 22 4.722 5.740 -0.696 1.00 0.00 H new ATOM 294 N LYS A 23 5.120 2.448 -4.240 1.00 0.00 N ATOM 295 CA LYS A 23 4.184 1.686 -5.097 1.00 0.00 C ATOM 296 C LYS A 23 3.845 0.347 -4.447 1.00 0.00 C ATOM 297 O LYS A 23 4.704 -0.355 -3.955 1.00 0.00 O ATOM 298 CB LYS A 23 4.844 1.417 -6.441 1.00 0.00 C ATOM 299 CG LYS A 23 5.649 2.642 -6.876 1.00 0.00 C ATOM 300 CD LYS A 23 6.019 2.511 -8.354 1.00 0.00 C ATOM 301 CE LYS A 23 6.627 3.824 -8.847 1.00 0.00 C ATOM 302 NZ LYS A 23 8.005 3.572 -9.353 1.00 0.00 N ATOM 0 H LYS A 23 5.749 1.881 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 23 3.272 2.269 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.498 0.548 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.086 1.184 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.066 3.549 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.551 2.731 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.729 1.695 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.134 2.265 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.009 4.249 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.653 4.552 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.457 4.477 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.562 3.091 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.959 2.971 -10.201 1.00 0.00 H new ATOM 316 N PHE A 24 2.595 -0.010 -4.457 1.00 0.00 N ATOM 317 CA PHE A 24 2.171 -1.314 -3.857 1.00 0.00 C ATOM 318 C PHE A 24 1.091 -1.939 -4.731 1.00 0.00 C ATOM 319 O PHE A 24 0.434 -1.263 -5.503 1.00 0.00 O ATOM 320 CB PHE A 24 1.614 -1.136 -2.434 1.00 0.00 C ATOM 321 CG PHE A 24 1.626 0.312 -2.061 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.847 0.962 -1.927 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.427 1.006 -1.873 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.886 2.314 -1.602 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.463 2.365 -1.551 1.00 0.00 C ATOM 326 CZ PHE A 24 1.697 3.015 -1.417 1.00 0.00 C ATOM 0 H PHE A 24 1.839 0.545 -4.857 1.00 0.00 H new ATOM 0 HA PHE A 24 3.049 -1.957 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.598 -1.526 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.213 -1.708 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.767 0.417 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.519 0.496 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.835 2.818 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.457 2.912 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.726 4.066 -1.169 1.00 0.00 H new ATOM 336 N LYS A 25 0.895 -3.222 -4.615 1.00 0.00 N ATOM 337 CA LYS A 25 -0.150 -3.880 -5.441 1.00 0.00 C ATOM 338 C LYS A 25 -1.242 -4.390 -4.508 1.00 0.00 C ATOM 339 O LYS A 25 -0.970 -4.893 -3.433 1.00 0.00 O ATOM 340 CB LYS A 25 0.460 -5.053 -6.211 1.00 0.00 C ATOM 341 CG LYS A 25 1.653 -4.561 -7.031 1.00 0.00 C ATOM 342 CD LYS A 25 1.347 -4.712 -8.523 1.00 0.00 C ATOM 343 CE LYS A 25 1.964 -6.011 -9.042 1.00 0.00 C ATOM 344 NZ LYS A 25 1.730 -7.103 -8.055 1.00 0.00 N ATOM 0 H LYS A 25 1.411 -3.839 -3.987 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.565 -3.171 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.778 -5.831 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.287 -5.498 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.863 -3.518 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.545 -5.132 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.269 -4.719 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.747 -3.861 -9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.525 -6.276 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.033 -5.878 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.964 -8.019 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.332 -6.951 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.731 -7.102 -7.766 1.00 0.00 H new ATOM 358 N ILE A 26 -2.478 -4.244 -4.894 1.00 0.00 N ATOM 359 CA ILE A 26 -3.578 -4.696 -4.015 1.00 0.00 C ATOM 360 C ILE A 26 -4.165 -5.984 -4.572 1.00 0.00 C ATOM 361 O ILE A 26 -4.273 -6.154 -5.761 1.00 0.00 O ATOM 362 CB ILE A 26 -4.656 -3.614 -3.957 1.00 0.00 C ATOM 363 CG1 ILE A 26 -4.009 -2.271 -3.603 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.685 -3.975 -2.888 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.348 -1.234 -4.674 1.00 0.00 C ATOM 0 H ILE A 26 -2.769 -3.831 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.199 -4.878 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.149 -3.540 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.364 -1.931 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.928 -2.387 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.453 -3.203 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.145 -4.932 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.192 -4.048 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.885 -0.281 -4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.971 -1.572 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.429 -1.109 -4.730 1.00 0.00 H new ATOM 377 N HIS A 27 -4.530 -6.894 -3.719 1.00 0.00 N ATOM 378 CA HIS A 27 -5.101 -8.181 -4.199 1.00 0.00 C ATOM 379 C HIS A 27 -6.397 -8.484 -3.448 1.00 0.00 C ATOM 380 O HIS A 27 -6.401 -8.696 -2.248 1.00 0.00 O ATOM 381 CB HIS A 27 -4.098 -9.308 -3.954 1.00 0.00 C ATOM 382 CG HIS A 27 -2.736 -8.855 -4.389 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.118 -7.753 -3.825 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.871 -9.325 -5.344 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.938 -7.592 -4.442 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.734 -8.524 -5.377 1.00 0.00 N ATOM 0 H HIS A 27 -4.458 -6.803 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.311 -8.104 -5.266 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.085 -9.577 -2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.392 -10.200 -4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.046 -10.185 -5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.237 -6.804 -4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.079 -8.626 -5.984 1.00 0.00 H new ATOM 394 N ALA A 28 -7.496 -8.498 -4.146 1.00 0.00 N ATOM 395 CA ALA A 28 -8.800 -8.785 -3.480 1.00 0.00 C ATOM 396 C ALA A 28 -9.245 -10.221 -3.784 1.00 0.00 C ATOM 397 O ALA A 28 -8.982 -10.746 -4.844 1.00 0.00 O ATOM 398 CB ALA A 28 -9.857 -7.815 -4.011 1.00 0.00 C ATOM 0 H ALA A 28 -7.550 -8.323 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.684 -8.666 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.813 -8.019 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.552 -6.791 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.960 -7.943 -5.089 1.00 0.00 H new ATOM 404 N VAL A 29 -9.938 -10.854 -2.870 1.00 0.00 N ATOM 405 CA VAL A 29 -10.421 -12.242 -3.126 1.00 0.00 C ATOM 406 C VAL A 29 -11.866 -12.344 -2.644 1.00 0.00 C ATOM 407 O VAL A 29 -12.178 -12.083 -1.502 1.00 0.00 O ATOM 408 CB VAL A 29 -9.546 -13.261 -2.391 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.331 -14.563 -2.169 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.312 -13.563 -3.240 1.00 0.00 C ATOM 0 H VAL A 29 -10.189 -10.469 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.365 -12.460 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.248 -12.850 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.702 -15.283 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.219 -14.355 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.630 -14.976 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.683 -14.288 -2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.623 -13.972 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.748 -12.644 -3.402 1.00 0.00 H new ATOM 420 N ASP A 30 -12.744 -12.730 -3.512 1.00 0.00 N ATOM 421 CA ASP A 30 -14.171 -12.857 -3.132 1.00 0.00 C ATOM 422 C ASP A 30 -14.490 -14.344 -2.960 1.00 0.00 C ATOM 423 O ASP A 30 -13.608 -15.173 -3.063 1.00 0.00 O ATOM 424 CB ASP A 30 -15.022 -12.206 -4.234 1.00 0.00 C ATOM 425 CG ASP A 30 -15.496 -13.250 -5.254 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.688 -14.077 -5.646 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.658 -13.203 -5.623 1.00 0.00 O ATOM 0 H ASP A 30 -12.534 -12.967 -4.482 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.390 -12.352 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.885 -11.711 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.440 -11.436 -4.740 1.00 0.00 H new ATOM 432 N PRO A 31 -15.730 -14.644 -2.695 1.00 0.00 N ATOM 433 CA PRO A 31 -16.167 -16.032 -2.499 1.00 0.00 C ATOM 434 C PRO A 31 -16.314 -16.770 -3.837 1.00 0.00 C ATOM 435 O PRO A 31 -17.007 -17.764 -3.920 1.00 0.00 O ATOM 436 CB PRO A 31 -17.519 -15.887 -1.795 1.00 0.00 C ATOM 437 CG PRO A 31 -18.034 -14.466 -2.126 1.00 0.00 C ATOM 438 CD PRO A 31 -16.807 -13.642 -2.561 1.00 0.00 C ATOM 0 HA PRO A 31 -15.451 -16.620 -1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.221 -16.645 -2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.413 -16.020 -0.718 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.779 -14.500 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.514 -14.016 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.988 -13.123 -3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.555 -12.882 -1.822 1.00 0.00 H new ATOM 446 N ASP A 32 -15.670 -16.316 -4.887 1.00 0.00 N ATOM 447 CA ASP A 32 -15.805 -17.042 -6.183 1.00 0.00 C ATOM 448 C ASP A 32 -14.434 -17.556 -6.621 1.00 0.00 C ATOM 449 O ASP A 32 -14.246 -17.971 -7.747 1.00 0.00 O ATOM 450 CB ASP A 32 -16.357 -16.091 -7.246 1.00 0.00 C ATOM 451 CG ASP A 32 -17.885 -16.172 -7.259 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.471 -16.084 -6.193 1.00 0.00 O ATOM 453 OD2 ASP A 32 -18.441 -16.322 -8.334 1.00 0.00 O ATOM 0 H ASP A 32 -15.070 -15.491 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.487 -17.883 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.038 -15.070 -7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.960 -16.354 -8.226 1.00 0.00 H new ATOM 458 N GLY A 33 -13.465 -17.503 -5.749 1.00 0.00 N ATOM 459 CA GLY A 33 -12.102 -17.957 -6.128 1.00 0.00 C ATOM 460 C GLY A 33 -11.555 -16.907 -7.077 1.00 0.00 C ATOM 461 O GLY A 33 -10.852 -17.196 -8.023 1.00 0.00 O ATOM 0 H GLY A 33 -13.560 -17.165 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.466 -18.056 -5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.137 -18.935 -6.608 1.00 0.00 H new ATOM 465 N VAL A 34 -11.926 -15.682 -6.836 1.00 0.00 N ATOM 466 CA VAL A 34 -11.497 -14.576 -7.720 1.00 0.00 C ATOM 467 C VAL A 34 -11.394 -13.292 -6.898 1.00 0.00 C ATOM 468 O VAL A 34 -11.573 -13.301 -5.696 1.00 0.00 O ATOM 469 CB VAL A 34 -12.557 -14.391 -8.811 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.885 -13.936 -10.101 1.00 0.00 C ATOM 471 CG2 VAL A 34 -13.288 -15.719 -9.056 1.00 0.00 C ATOM 0 H VAL A 34 -12.516 -15.401 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.529 -14.802 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.276 -13.638 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.639 -13.804 -10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.372 -12.990 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.163 -14.688 -10.420 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -14.041 -15.582 -9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.571 -16.476 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.772 -16.043 -8.135 1.00 0.00 H new ATOM 481 N HIS A 35 -11.119 -12.188 -7.531 1.00 0.00 N ATOM 482 CA HIS A 35 -11.019 -10.911 -6.773 1.00 0.00 C ATOM 483 C HIS A 35 -12.342 -10.150 -6.898 1.00 0.00 C ATOM 484 O HIS A 35 -12.381 -9.003 -7.298 1.00 0.00 O ATOM 485 CB HIS A 35 -9.868 -10.074 -7.335 1.00 0.00 C ATOM 486 CG HIS A 35 -8.618 -10.914 -7.353 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.405 -10.453 -6.861 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.381 -12.191 -7.794 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.504 -11.440 -7.020 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.047 -12.521 -7.583 1.00 0.00 N ATOM 0 H HIS A 35 -10.960 -12.114 -8.536 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.823 -11.115 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.107 -9.732 -8.342 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.716 -9.184 -6.724 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.229 -9.535 -6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.119 -12.842 -8.238 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.467 -11.366 -6.727 1.00 0.00 H new ATOM 498 N ARG A 36 -13.427 -10.794 -6.557 1.00 0.00 N ATOM 499 CA ARG A 36 -14.758 -10.144 -6.647 1.00 0.00 C ATOM 500 C ARG A 36 -15.075 -9.848 -8.109 1.00 0.00 C ATOM 501 O ARG A 36 -15.087 -8.709 -8.532 1.00 0.00 O ATOM 502 CB ARG A 36 -14.750 -8.845 -5.843 1.00 0.00 C ATOM 503 CG ARG A 36 -15.302 -9.121 -4.447 1.00 0.00 C ATOM 504 CD ARG A 36 -15.694 -7.798 -3.783 1.00 0.00 C ATOM 505 NE ARG A 36 -17.132 -7.504 -4.057 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.664 -7.838 -5.203 1.00 0.00 C ATOM 507 NH1 ARG A 36 -17.360 -7.172 -6.284 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.498 -8.838 -5.268 1.00 0.00 N ATOM 0 H ARG A 36 -13.443 -11.755 -6.216 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.519 -10.809 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.736 -8.450 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.354 -8.089 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.168 -9.779 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.554 -9.636 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.523 -7.855 -2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.069 -6.990 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.701 -7.041 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.707 -6.390 -6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.776 -7.433 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.735 -9.360 -4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.913 -9.099 -6.163 1.00 0.00 H new ATOM 522 N THR A 37 -15.329 -10.867 -8.885 1.00 0.00 N ATOM 523 CA THR A 37 -15.640 -10.642 -10.327 1.00 0.00 C ATOM 524 C THR A 37 -14.671 -9.593 -10.893 1.00 0.00 C ATOM 525 O THR A 37 -14.977 -8.418 -10.933 1.00 0.00 O ATOM 526 CB THR A 37 -17.078 -10.132 -10.460 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.127 -8.760 -10.092 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.994 -10.941 -9.543 1.00 0.00 C ATOM 0 H THR A 37 -15.335 -11.842 -8.585 1.00 0.00 H new ATOM 0 HA THR A 37 -15.532 -11.576 -10.879 1.00 0.00 H new ATOM 0 HB THR A 37 -17.411 -10.244 -11.492 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.248 -8.478 -9.763 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.017 -10.577 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.955 -11.993 -9.826 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.664 -10.830 -8.510 1.00 0.00 H new ATOM 536 N ASP A 38 -13.502 -10.001 -11.319 1.00 0.00 N ATOM 537 CA ASP A 38 -12.522 -9.017 -11.862 1.00 0.00 C ATOM 538 C ASP A 38 -13.235 -8.016 -12.771 1.00 0.00 C ATOM 539 O ASP A 38 -14.259 -8.310 -13.356 1.00 0.00 O ATOM 540 CB ASP A 38 -11.446 -9.757 -12.657 1.00 0.00 C ATOM 541 CG ASP A 38 -10.090 -9.553 -11.983 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.075 -9.110 -10.846 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.089 -9.845 -12.616 1.00 0.00 O ATOM 0 H ASP A 38 -13.186 -10.971 -11.314 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.059 -8.478 -11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.683 -10.820 -12.709 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.415 -9.386 -13.682 1.00 0.00 H new ATOM 548 N GLY A 39 -12.697 -6.833 -12.891 1.00 0.00 N ATOM 549 CA GLY A 39 -13.339 -5.805 -13.758 1.00 0.00 C ATOM 550 C GLY A 39 -14.383 -5.031 -12.946 1.00 0.00 C ATOM 551 O GLY A 39 -14.526 -3.834 -13.089 1.00 0.00 O ATOM 0 H GLY A 39 -11.840 -6.534 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.585 -5.121 -14.148 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.811 -6.282 -14.617 1.00 0.00 H new ATOM 555 N GLY A 40 -15.114 -5.702 -12.093 1.00 0.00 N ATOM 556 CA GLY A 40 -16.143 -4.994 -11.280 1.00 0.00 C ATOM 557 C GLY A 40 -15.832 -5.168 -9.791 1.00 0.00 C ATOM 558 O GLY A 40 -16.702 -5.472 -8.999 1.00 0.00 O ATOM 0 H GLY A 40 -15.042 -6.706 -11.926 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.158 -3.935 -11.537 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.133 -5.391 -11.504 1.00 0.00 H new ATOM 562 N ASP A 41 -14.600 -4.975 -9.402 1.00 0.00 N ATOM 563 CA ASP A 41 -14.242 -5.127 -7.962 1.00 0.00 C ATOM 564 C ASP A 41 -14.420 -3.785 -7.257 1.00 0.00 C ATOM 565 O ASP A 41 -13.814 -2.799 -7.628 1.00 0.00 O ATOM 566 CB ASP A 41 -12.777 -5.564 -7.836 1.00 0.00 C ATOM 567 CG ASP A 41 -12.493 -6.703 -8.816 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.404 -7.081 -9.536 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.371 -7.181 -8.831 1.00 0.00 O ATOM 0 H ASP A 41 -13.828 -4.719 -10.017 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.888 -5.878 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.117 -4.721 -8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.571 -5.889 -6.816 1.00 0.00 H new ATOM 574 N GLY A 42 -15.234 -3.733 -6.237 1.00 0.00 N ATOM 575 CA GLY A 42 -15.424 -2.445 -5.509 1.00 0.00 C ATOM 576 C GLY A 42 -14.130 -2.117 -4.768 1.00 0.00 C ATOM 577 O GLY A 42 -14.096 -2.023 -3.558 1.00 0.00 O ATOM 0 H GLY A 42 -15.773 -4.521 -5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.674 -1.647 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.254 -2.525 -4.807 1.00 0.00 H new ATOM 581 N PHE A 43 -13.059 -1.966 -5.494 1.00 0.00 N ATOM 582 CA PHE A 43 -11.751 -1.671 -4.857 1.00 0.00 C ATOM 583 C PHE A 43 -11.455 -0.179 -4.940 1.00 0.00 C ATOM 584 O PHE A 43 -11.196 0.355 -6.000 1.00 0.00 O ATOM 585 CB PHE A 43 -10.661 -2.432 -5.607 1.00 0.00 C ATOM 586 CG PHE A 43 -9.854 -3.279 -4.652 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.592 -2.829 -3.351 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.353 -4.513 -5.079 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.831 -3.623 -2.482 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.593 -5.303 -4.212 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.334 -4.859 -2.912 1.00 0.00 C ATOM 0 H PHE A 43 -13.036 -2.035 -6.511 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.780 -1.974 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.112 -3.065 -6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.006 -1.728 -6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.975 -1.875 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.554 -4.857 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.628 -3.280 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.207 -6.255 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.750 -5.470 -2.239 1.00 0.00 H new ATOM 601 N VAL A 44 -11.452 0.488 -3.828 1.00 0.00 N ATOM 602 CA VAL A 44 -11.124 1.936 -3.845 1.00 0.00 C ATOM 603 C VAL A 44 -9.886 2.137 -2.975 1.00 0.00 C ATOM 604 O VAL A 44 -9.917 1.947 -1.775 1.00 0.00 O ATOM 605 CB VAL A 44 -12.314 2.784 -3.334 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.274 1.926 -2.508 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.815 3.954 -2.470 1.00 0.00 C ATOM 0 H VAL A 44 -11.661 0.097 -2.910 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.924 2.267 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.839 3.176 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.103 2.541 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.659 1.114 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.744 1.510 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.667 4.538 -2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.266 3.565 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.158 4.590 -3.063 1.00 0.00 H new ATOM 617 N VAL A 45 -8.799 2.517 -3.575 1.00 0.00 N ATOM 618 CA VAL A 45 -7.557 2.732 -2.796 1.00 0.00 C ATOM 619 C VAL A 45 -7.144 4.187 -2.935 1.00 0.00 C ATOM 620 O VAL A 45 -7.411 4.824 -3.934 1.00 0.00 O ATOM 621 CB VAL A 45 -6.446 1.837 -3.337 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.352 1.679 -2.278 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.018 0.466 -3.699 1.00 0.00 C ATOM 0 H VAL A 45 -8.718 2.689 -4.577 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.732 2.488 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.018 2.293 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.559 1.039 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.940 2.658 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.776 1.227 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.222 -0.170 -4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.451 0.006 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.790 0.583 -4.460 1.00 0.00 H new ATOM 633 N THR A 46 -6.503 4.720 -1.944 1.00 0.00 N ATOM 634 CA THR A 46 -6.085 6.138 -2.032 1.00 0.00 C ATOM 635 C THR A 46 -4.965 6.425 -1.038 1.00 0.00 C ATOM 636 O THR A 46 -5.064 6.142 0.142 1.00 0.00 O ATOM 637 CB THR A 46 -7.277 7.049 -1.725 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.295 6.297 -1.080 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.821 7.638 -3.029 1.00 0.00 C ATOM 0 H THR A 46 -6.251 4.239 -1.080 1.00 0.00 H new ATOM 0 HA THR A 46 -5.724 6.331 -3.042 1.00 0.00 H new ATOM 0 HB THR A 46 -6.956 7.859 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.057 6.880 -0.882 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.669 8.286 -2.809 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.039 8.217 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.142 6.830 -3.687 1.00 0.00 H new ATOM 647 N ILE A 47 -3.914 7.017 -1.515 1.00 0.00 N ATOM 648 CA ILE A 47 -2.782 7.385 -0.633 1.00 0.00 C ATOM 649 C ILE A 47 -2.588 8.883 -0.703 1.00 0.00 C ATOM 650 O ILE A 47 -2.923 9.518 -1.684 1.00 0.00 O ATOM 651 CB ILE A 47 -1.479 6.724 -1.097 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.374 5.300 -0.527 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.281 7.578 -0.629 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.055 5.066 -0.027 1.00 0.00 C ATOM 0 H ILE A 47 -3.789 7.266 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.012 7.052 0.379 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.473 6.659 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.085 5.168 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.629 4.568 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.648 7.112 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.357 8.577 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.287 7.649 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.138 4.058 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.754 5.182 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.291 5.791 0.752 1.00 0.00 H new ATOM 666 N GLU A 48 -2.004 9.453 0.300 1.00 0.00 N ATOM 667 CA GLU A 48 -1.753 10.907 0.219 1.00 0.00 C ATOM 668 C GLU A 48 -0.830 11.363 1.350 1.00 0.00 C ATOM 669 O GLU A 48 -0.722 10.738 2.391 1.00 0.00 O ATOM 670 CB GLU A 48 -3.077 11.682 0.282 1.00 0.00 C ATOM 671 CG GLU A 48 -4.175 10.802 0.891 1.00 0.00 C ATOM 672 CD GLU A 48 -5.248 11.688 1.528 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.903 12.763 1.991 1.00 0.00 O ATOM 674 OE2 GLU A 48 -6.396 11.276 1.543 1.00 0.00 O ATOM 0 H GLU A 48 -1.695 8.990 1.154 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.264 11.113 -0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.951 12.585 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.369 12.000 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.619 10.172 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.747 10.136 1.640 1.00 0.00 H new ATOM 681 N GLY A 49 -0.161 12.459 1.123 1.00 0.00 N ATOM 682 CA GLY A 49 0.781 13.021 2.130 1.00 0.00 C ATOM 683 C GLY A 49 1.076 14.473 1.741 1.00 0.00 C ATOM 684 O GLY A 49 0.407 15.027 0.894 1.00 0.00 O ATOM 0 H GLY A 49 -0.230 13.001 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.345 12.975 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.702 12.439 2.157 1.00 0.00 H new ATOM 688 N PRO A 50 2.063 15.050 2.369 1.00 0.00 N ATOM 689 CA PRO A 50 2.461 16.442 2.098 1.00 0.00 C ATOM 690 C PRO A 50 3.252 16.523 0.786 1.00 0.00 C ATOM 691 O PRO A 50 4.453 16.713 0.785 1.00 0.00 O ATOM 692 CB PRO A 50 3.344 16.802 3.296 1.00 0.00 C ATOM 693 CG PRO A 50 3.854 15.462 3.878 1.00 0.00 C ATOM 694 CD PRO A 50 2.876 14.373 3.398 1.00 0.00 C ATOM 0 HA PRO A 50 1.614 17.119 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.177 17.435 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.778 17.360 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.867 15.251 3.535 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.887 15.500 4.967 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.406 13.514 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.257 14.004 4.216 1.00 0.00 H new ATOM 702 N ALA A 51 2.590 16.377 -0.333 1.00 0.00 N ATOM 703 CA ALA A 51 3.310 16.441 -1.637 1.00 0.00 C ATOM 704 C ALA A 51 2.331 16.831 -2.750 1.00 0.00 C ATOM 705 O ALA A 51 1.153 17.005 -2.504 1.00 0.00 O ATOM 706 CB ALA A 51 3.910 15.069 -1.946 1.00 0.00 C ATOM 0 H ALA A 51 1.585 16.217 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 51 4.103 17.187 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.438 15.109 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.607 14.791 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.113 14.328 -2.004 1.00 0.00 H new ATOM 712 N PRO A 52 2.851 16.956 -3.946 1.00 0.00 N ATOM 713 CA PRO A 52 2.050 17.324 -5.128 1.00 0.00 C ATOM 714 C PRO A 52 1.288 16.102 -5.654 1.00 0.00 C ATOM 715 O PRO A 52 0.078 16.110 -5.760 1.00 0.00 O ATOM 716 CB PRO A 52 3.099 17.792 -6.140 1.00 0.00 C ATOM 717 CG PRO A 52 4.438 17.144 -5.713 1.00 0.00 C ATOM 718 CD PRO A 52 4.286 16.746 -4.232 1.00 0.00 C ATOM 0 HA PRO A 52 1.298 18.085 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.826 17.489 -7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.177 18.879 -6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.659 16.271 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.265 17.843 -5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.578 15.709 -4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.915 17.361 -3.588 1.00 0.00 H new ATOM 726 N VAL A 53 1.990 15.051 -5.976 1.00 0.00 N ATOM 727 CA VAL A 53 1.313 13.824 -6.486 1.00 0.00 C ATOM 728 C VAL A 53 0.959 12.924 -5.297 1.00 0.00 C ATOM 729 O VAL A 53 1.609 11.927 -5.051 1.00 0.00 O ATOM 730 CB VAL A 53 2.267 13.080 -7.425 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.551 11.878 -8.038 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.723 14.026 -8.539 1.00 0.00 C ATOM 0 H VAL A 53 3.006 14.988 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 53 0.406 14.092 -7.027 1.00 0.00 H new ATOM 0 HB VAL A 53 3.134 12.734 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.232 11.350 -8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.226 11.205 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.683 12.220 -8.602 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.402 13.499 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.855 14.372 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.237 14.882 -8.102 1.00 0.00 H new ATOM 742 N ASP A 54 -0.046 13.279 -4.536 1.00 0.00 N ATOM 743 CA ASP A 54 -0.404 12.452 -3.351 1.00 0.00 C ATOM 744 C ASP A 54 -1.433 11.362 -3.714 1.00 0.00 C ATOM 745 O ASP A 54 -1.231 10.212 -3.381 1.00 0.00 O ATOM 746 CB ASP A 54 -0.953 13.364 -2.247 1.00 0.00 C ATOM 747 CG ASP A 54 0.196 14.171 -1.637 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.262 13.606 -1.454 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.011 15.342 -1.364 1.00 0.00 O ATOM 0 H ASP A 54 -0.629 14.102 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 54 0.493 11.945 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.707 14.036 -2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.442 12.768 -1.477 1.00 0.00 H new ATOM 754 N PRO A 55 -2.505 11.736 -4.376 1.00 0.00 N ATOM 755 CA PRO A 55 -3.558 10.775 -4.769 1.00 0.00 C ATOM 756 C PRO A 55 -3.143 10.013 -6.032 1.00 0.00 C ATOM 757 O PRO A 55 -3.192 10.543 -7.125 1.00 0.00 O ATOM 758 CB PRO A 55 -4.766 11.666 -5.061 1.00 0.00 C ATOM 759 CG PRO A 55 -4.202 13.071 -5.385 1.00 0.00 C ATOM 760 CD PRO A 55 -2.780 13.127 -4.794 1.00 0.00 C ATOM 0 HA PRO A 55 -3.755 10.024 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.343 11.276 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.437 11.705 -4.203 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.180 13.240 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.831 13.849 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.056 13.472 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.727 13.814 -3.950 1.00 0.00 H new ATOM 768 N VAL A 56 -2.721 8.782 -5.902 1.00 0.00 N ATOM 769 CA VAL A 56 -2.295 8.024 -7.099 1.00 0.00 C ATOM 770 C VAL A 56 -2.759 6.576 -7.013 1.00 0.00 C ATOM 771 O VAL A 56 -2.110 5.747 -6.405 1.00 0.00 O ATOM 772 CB VAL A 56 -0.789 8.014 -7.137 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.322 7.475 -8.492 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.257 9.434 -6.935 1.00 0.00 C ATOM 0 H VAL A 56 -2.656 8.276 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.724 8.493 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.409 7.375 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.767 7.466 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.697 6.461 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.703 8.114 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.833 9.422 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.633 10.080 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.591 9.814 -5.969 1.00 0.00 H new ATOM 784 N MET A 57 -3.850 6.244 -7.627 1.00 0.00 N ATOM 785 CA MET A 57 -4.296 4.828 -7.571 1.00 0.00 C ATOM 786 C MET A 57 -4.849 4.386 -8.928 1.00 0.00 C ATOM 787 O MET A 57 -5.573 5.107 -9.587 1.00 0.00 O ATOM 788 CB MET A 57 -5.340 4.658 -6.464 1.00 0.00 C ATOM 789 CG MET A 57 -6.653 5.320 -6.882 1.00 0.00 C ATOM 790 SD MET A 57 -6.541 7.105 -6.606 1.00 0.00 S ATOM 791 CE MET A 57 -7.469 7.621 -8.072 1.00 0.00 C ATOM 0 H MET A 57 -4.447 6.878 -8.158 1.00 0.00 H new ATOM 0 HA MET A 57 -3.442 4.192 -7.340 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.504 3.599 -6.266 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.977 5.103 -5.538 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.858 5.116 -7.933 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.482 4.904 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 57 -7.525 8.709 -8.103 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.966 7.258 -8.968 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.477 7.207 -8.029 1.00 0.00 H new ATOM 801 N VAL A 58 -4.485 3.201 -9.356 1.00 0.00 N ATOM 802 CA VAL A 58 -4.957 2.699 -10.678 1.00 0.00 C ATOM 803 C VAL A 58 -5.416 1.239 -10.552 1.00 0.00 C ATOM 804 O VAL A 58 -4.975 0.507 -9.683 1.00 0.00 O ATOM 805 CB VAL A 58 -3.819 2.760 -11.708 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.257 3.611 -12.901 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.560 3.377 -11.086 1.00 0.00 C ATOM 0 H VAL A 58 -3.879 2.561 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.786 3.327 -11.004 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.591 1.745 -12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.450 3.655 -13.632 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.140 3.166 -13.361 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.494 4.619 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.765 3.411 -11.831 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.781 4.388 -10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.238 2.770 -10.240 1.00 0.00 H new ATOM 817 N ASP A 59 -6.285 0.809 -11.431 1.00 0.00 N ATOM 818 CA ASP A 59 -6.772 -0.598 -11.392 1.00 0.00 C ATOM 819 C ASP A 59 -6.419 -1.280 -12.718 1.00 0.00 C ATOM 820 O ASP A 59 -6.712 -0.769 -13.781 1.00 0.00 O ATOM 821 CB ASP A 59 -8.293 -0.594 -11.207 1.00 0.00 C ATOM 822 CG ASP A 59 -8.824 -2.028 -11.222 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.353 -2.807 -12.032 1.00 0.00 O ATOM 824 OD2 ASP A 59 -9.698 -2.320 -10.423 1.00 0.00 O ATOM 0 H ASP A 59 -6.680 1.379 -12.179 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.306 -1.136 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.552 -0.111 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.763 -0.015 -12.002 1.00 0.00 H new ATOM 829 N ASN A 60 -5.781 -2.419 -12.671 1.00 0.00 N ATOM 830 CA ASN A 60 -5.403 -3.108 -13.941 1.00 0.00 C ATOM 831 C ASN A 60 -6.534 -4.027 -14.418 1.00 0.00 C ATOM 832 O ASN A 60 -6.631 -4.334 -15.590 1.00 0.00 O ATOM 833 CB ASN A 60 -4.129 -3.927 -13.721 1.00 0.00 C ATOM 834 CG ASN A 60 -3.091 -3.550 -14.780 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.114 -2.455 -15.308 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.174 -4.416 -15.115 1.00 0.00 N ATOM 0 H ASN A 60 -5.506 -2.900 -11.815 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.226 -2.353 -14.707 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.731 -3.740 -12.724 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.354 -4.992 -13.780 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.477 -4.174 -15.819 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.154 -5.335 -14.672 1.00 0.00 H new ATOM 843 N GLY A 61 -7.404 -4.454 -13.544 1.00 0.00 N ATOM 844 CA GLY A 61 -8.526 -5.324 -13.992 1.00 0.00 C ATOM 845 C GLY A 61 -8.131 -6.805 -13.932 1.00 0.00 C ATOM 846 O GLY A 61 -8.709 -7.633 -14.608 1.00 0.00 O ATOM 0 H GLY A 61 -7.387 -4.240 -12.547 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.399 -5.151 -13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.811 -5.061 -15.011 1.00 0.00 H new ATOM 850 N ASP A 62 -7.164 -7.157 -13.127 1.00 0.00 N ATOM 851 CA ASP A 62 -6.760 -8.588 -13.032 1.00 0.00 C ATOM 852 C ASP A 62 -6.896 -9.051 -11.580 1.00 0.00 C ATOM 853 O ASP A 62 -6.222 -9.960 -11.140 1.00 0.00 O ATOM 854 CB ASP A 62 -5.305 -8.739 -13.481 1.00 0.00 C ATOM 855 CG ASP A 62 -4.402 -7.911 -12.568 1.00 0.00 C ATOM 856 OD1 ASP A 62 -4.914 -7.349 -11.615 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.213 -7.853 -12.838 1.00 0.00 O ATOM 0 H ASP A 62 -6.638 -6.516 -12.533 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.400 -9.194 -13.673 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.010 -9.788 -13.448 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.196 -8.409 -14.514 1.00 0.00 H new ATOM 862 N GLY A 63 -7.763 -8.422 -10.830 1.00 0.00 N ATOM 863 CA GLY A 63 -7.942 -8.813 -9.401 1.00 0.00 C ATOM 864 C GLY A 63 -6.857 -8.147 -8.551 1.00 0.00 C ATOM 865 O GLY A 63 -6.909 -8.152 -7.325 1.00 0.00 O ATOM 0 H GLY A 63 -8.355 -7.654 -11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.929 -8.512 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.885 -9.897 -9.299 1.00 0.00 H new ATOM 869 N THR A 64 -5.878 -7.561 -9.192 1.00 0.00 N ATOM 870 CA THR A 64 -4.792 -6.887 -8.443 1.00 0.00 C ATOM 871 C THR A 64 -4.682 -5.437 -8.927 1.00 0.00 C ATOM 872 O THR A 64 -4.576 -5.182 -10.109 1.00 0.00 O ATOM 873 CB THR A 64 -3.468 -7.613 -8.692 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.179 -7.604 -10.083 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.574 -9.058 -8.199 1.00 0.00 C ATOM 0 H THR A 64 -5.790 -7.524 -10.208 1.00 0.00 H new ATOM 0 HA THR A 64 -5.013 -6.905 -7.376 1.00 0.00 H new ATOM 0 HB THR A 64 -2.669 -7.106 -8.151 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.764 -6.961 -10.535 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.630 -9.573 -8.377 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.794 -9.063 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.373 -9.568 -8.737 1.00 0.00 H new ATOM 883 N TYR A 65 -4.717 -4.481 -8.033 1.00 0.00 N ATOM 884 CA TYR A 65 -4.626 -3.059 -8.468 1.00 0.00 C ATOM 885 C TYR A 65 -3.369 -2.425 -7.879 1.00 0.00 C ATOM 886 O TYR A 65 -2.822 -2.908 -6.907 1.00 0.00 O ATOM 887 CB TYR A 65 -5.891 -2.328 -8.021 1.00 0.00 C ATOM 888 CG TYR A 65 -7.079 -3.127 -8.505 1.00 0.00 C ATOM 889 CD1 TYR A 65 -6.995 -3.815 -9.721 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.250 -3.196 -7.744 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.074 -4.570 -10.178 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.333 -3.953 -8.206 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.247 -4.639 -9.422 1.00 0.00 C ATOM 894 OH TYR A 65 -10.318 -5.385 -9.872 1.00 0.00 O ATOM 0 H TYR A 65 -4.804 -4.625 -7.027 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.553 -2.991 -9.553 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.913 -2.230 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.915 -1.319 -8.433 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.090 -3.761 -10.308 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.319 -2.668 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.003 -5.101 -11.116 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.239 -4.008 -7.621 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.339 -6.244 -9.402 1.00 0.00 H new ATOM 904 N ASP A 66 -2.873 -1.373 -8.476 1.00 0.00 N ATOM 905 CA ASP A 66 -1.624 -0.765 -7.952 1.00 0.00 C ATOM 906 C ASP A 66 -1.835 0.705 -7.620 1.00 0.00 C ATOM 907 O ASP A 66 -2.646 1.388 -8.215 1.00 0.00 O ATOM 908 CB ASP A 66 -0.520 -0.889 -9.005 1.00 0.00 C ATOM 909 CG ASP A 66 -0.844 0.014 -10.198 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.994 0.402 -10.326 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.061 0.301 -10.961 1.00 0.00 O ATOM 0 H ASP A 66 -3.276 -0.916 -9.294 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.338 -1.291 -7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.441 -0.608 -8.574 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.431 -1.925 -9.333 1.00 0.00 H new ATOM 916 N VAL A 67 -1.093 1.189 -6.673 1.00 0.00 N ATOM 917 CA VAL A 67 -1.205 2.614 -6.274 1.00 0.00 C ATOM 918 C VAL A 67 0.219 3.163 -6.074 1.00 0.00 C ATOM 919 O VAL A 67 1.093 2.444 -5.626 1.00 0.00 O ATOM 920 CB VAL A 67 -2.018 2.690 -4.982 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.201 1.723 -5.074 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.165 2.274 -3.810 1.00 0.00 C ATOM 0 H VAL A 67 -0.403 0.651 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.710 3.210 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.365 3.714 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.784 1.773 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.831 1.999 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.831 0.707 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.753 2.331 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.820 1.250 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.305 2.939 -3.732 1.00 0.00 H new ATOM 932 N GLU A 68 0.488 4.408 -6.420 1.00 0.00 N ATOM 933 CA GLU A 68 1.898 4.902 -6.253 1.00 0.00 C ATOM 934 C GLU A 68 1.979 6.409 -6.005 1.00 0.00 C ATOM 935 O GLU A 68 1.516 7.203 -6.780 1.00 0.00 O ATOM 936 CB GLU A 68 2.692 4.639 -7.531 1.00 0.00 C ATOM 937 CG GLU A 68 2.316 3.283 -8.132 1.00 0.00 C ATOM 938 CD GLU A 68 0.986 3.405 -8.880 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.410 4.479 -8.852 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.569 2.421 -9.470 1.00 0.00 O ATOM 0 H GLU A 68 -0.181 5.080 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 68 2.299 4.370 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.497 5.430 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.760 4.662 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.098 2.946 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.234 2.534 -7.344 1.00 0.00 H new ATOM 947 N PHE A 69 2.671 6.804 -4.986 1.00 0.00 N ATOM 948 CA PHE A 69 2.871 8.266 -4.736 1.00 0.00 C ATOM 949 C PHE A 69 4.374 8.486 -4.487 1.00 0.00 C ATOM 950 O PHE A 69 5.091 7.561 -4.131 1.00 0.00 O ATOM 951 CB PHE A 69 2.036 8.763 -3.535 1.00 0.00 C ATOM 952 CG PHE A 69 2.568 8.174 -2.269 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.549 6.791 -2.079 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.074 9.016 -1.278 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.036 6.254 -0.890 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.562 8.474 -0.093 1.00 0.00 C ATOM 957 CZ PHE A 69 3.540 7.088 0.094 1.00 0.00 C ATOM 0 H PHE A 69 3.112 6.184 -4.307 1.00 0.00 H new ATOM 0 HA PHE A 69 2.533 8.839 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.070 9.851 -3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.991 8.482 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.159 6.142 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.087 10.085 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.021 5.185 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.956 9.120 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.919 6.665 1.013 1.00 0.00 H new ATOM 967 N GLU A 70 4.878 9.673 -4.705 1.00 0.00 N ATOM 968 CA GLU A 70 6.342 9.893 -4.501 1.00 0.00 C ATOM 969 C GLU A 70 6.614 11.349 -4.073 1.00 0.00 C ATOM 970 O GLU A 70 6.611 12.242 -4.895 1.00 0.00 O ATOM 971 CB GLU A 70 7.073 9.611 -5.813 1.00 0.00 C ATOM 972 CG GLU A 70 8.558 9.942 -5.652 1.00 0.00 C ATOM 973 CD GLU A 70 9.397 8.920 -6.419 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.056 8.636 -7.556 1.00 0.00 O ATOM 975 OE2 GLU A 70 10.367 8.438 -5.857 1.00 0.00 O ATOM 0 H GLU A 70 4.349 10.489 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 70 6.697 9.224 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.951 8.564 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.642 10.207 -6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.760 10.946 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.831 9.933 -4.597 1.00 0.00 H new ATOM 982 N PRO A 71 6.843 11.539 -2.793 1.00 0.00 N ATOM 983 CA PRO A 71 7.126 12.873 -2.213 1.00 0.00 C ATOM 984 C PRO A 71 8.596 13.274 -2.434 1.00 0.00 C ATOM 985 O PRO A 71 9.401 12.485 -2.887 1.00 0.00 O ATOM 986 CB PRO A 71 6.846 12.673 -0.721 1.00 0.00 C ATOM 987 CG PRO A 71 6.981 11.155 -0.449 1.00 0.00 C ATOM 988 CD PRO A 71 6.830 10.444 -1.804 1.00 0.00 C ATOM 0 HA PRO A 71 6.529 13.665 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.552 13.240 -0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.848 13.026 -0.463 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.947 10.928 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.216 10.819 0.251 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.645 9.741 -1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.902 9.874 -1.853 1.00 0.00 H new ATOM 996 N LYS A 72 8.951 14.500 -2.118 1.00 0.00 N ATOM 997 CA LYS A 72 10.372 14.945 -2.315 1.00 0.00 C ATOM 998 C LYS A 72 10.910 15.678 -1.073 1.00 0.00 C ATOM 999 O LYS A 72 11.846 16.447 -1.170 1.00 0.00 O ATOM 1000 CB LYS A 72 10.462 15.886 -3.515 1.00 0.00 C ATOM 1001 CG LYS A 72 9.119 16.586 -3.739 1.00 0.00 C ATOM 1002 CD LYS A 72 9.362 18.012 -4.234 1.00 0.00 C ATOM 1003 CE LYS A 72 9.002 18.106 -5.718 1.00 0.00 C ATOM 1004 NZ LYS A 72 7.870 19.058 -5.896 1.00 0.00 N ATOM 0 H LYS A 72 8.324 15.207 -1.735 1.00 0.00 H new ATOM 0 HA LYS A 72 10.975 14.053 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.243 16.627 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.741 15.325 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.526 16.033 -4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.547 16.604 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.761 18.716 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.406 18.287 -4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.866 18.441 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.727 17.123 -6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.514 18.996 -6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.106 18.817 -5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.198 20.027 -5.708 1.00 0.00 H new ATOM 1018 N GLU A 73 10.345 15.460 0.087 1.00 0.00 N ATOM 1019 CA GLU A 73 10.855 16.160 1.300 1.00 0.00 C ATOM 1020 C GLU A 73 10.565 15.295 2.536 1.00 0.00 C ATOM 1021 O GLU A 73 10.651 14.087 2.487 1.00 0.00 O ATOM 1022 CB GLU A 73 10.150 17.516 1.410 1.00 0.00 C ATOM 1023 CG GLU A 73 8.663 17.296 1.696 1.00 0.00 C ATOM 1024 CD GLU A 73 8.238 18.155 2.888 1.00 0.00 C ATOM 1025 OE1 GLU A 73 9.102 18.517 3.669 1.00 0.00 O ATOM 1026 OE2 GLU A 73 7.056 18.436 2.998 1.00 0.00 O ATOM 0 H GLU A 73 9.557 14.831 0.245 1.00 0.00 H new ATOM 0 HA GLU A 73 11.931 16.320 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.601 18.109 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.274 18.079 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.071 17.555 0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.475 16.243 1.908 1.00 0.00 H new ATOM 1033 N ALA A 74 10.197 15.899 3.635 1.00 0.00 N ATOM 1034 CA ALA A 74 9.870 15.108 4.858 1.00 0.00 C ATOM 1035 C ALA A 74 8.355 15.003 4.932 1.00 0.00 C ATOM 1036 O ALA A 74 7.655 15.993 4.843 1.00 0.00 O ATOM 1037 CB ALA A 74 10.423 15.813 6.094 1.00 0.00 C ATOM 0 H ALA A 74 10.108 16.910 3.739 1.00 0.00 H new ATOM 0 HA ALA A 74 10.317 14.115 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.181 15.231 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.505 15.908 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.978 16.804 6.177 1.00 0.00 H new ATOM 1043 N GLY A 75 7.827 13.816 5.031 1.00 0.00 N ATOM 1044 CA GLY A 75 6.346 13.698 5.033 1.00 0.00 C ATOM 1045 C GLY A 75 5.890 12.350 5.577 1.00 0.00 C ATOM 1046 O GLY A 75 6.630 11.387 5.611 1.00 0.00 O ATOM 0 H GLY A 75 8.344 12.940 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.918 14.498 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.969 13.828 4.019 1.00 0.00 H new ATOM 1050 N ASP A 76 4.655 12.279 5.973 1.00 0.00 N ATOM 1051 CA ASP A 76 4.096 11.005 6.489 1.00 0.00 C ATOM 1052 C ASP A 76 3.037 10.553 5.498 1.00 0.00 C ATOM 1053 O ASP A 76 2.519 11.339 4.730 1.00 0.00 O ATOM 1054 CB ASP A 76 3.473 11.225 7.869 1.00 0.00 C ATOM 1055 CG ASP A 76 2.422 12.332 7.790 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.592 12.272 6.897 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.462 13.220 8.624 1.00 0.00 O ATOM 0 H ASP A 76 4.000 13.061 5.961 1.00 0.00 H new ATOM 0 HA ASP A 76 4.875 10.250 6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.016 10.301 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.246 11.495 8.589 1.00 0.00 H new ATOM 1062 N TYR A 77 2.748 9.293 5.467 1.00 0.00 N ATOM 1063 CA TYR A 77 1.763 8.800 4.474 1.00 0.00 C ATOM 1064 C TYR A 77 0.528 8.270 5.154 1.00 0.00 C ATOM 1065 O TYR A 77 0.592 7.575 6.143 1.00 0.00 O ATOM 1066 CB TYR A 77 2.348 7.641 3.683 1.00 0.00 C ATOM 1067 CG TYR A 77 3.717 7.980 3.194 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.061 9.306 2.941 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.627 6.954 2.948 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.328 9.611 2.443 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.889 7.250 2.442 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.246 8.583 2.188 1.00 0.00 C ATOM 1073 OH TYR A 77 7.496 8.880 1.685 1.00 0.00 O ATOM 0 H TYR A 77 3.147 8.583 6.081 1.00 0.00 H new ATOM 0 HA TYR A 77 1.516 9.642 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.389 6.750 4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.701 7.407 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.349 10.096 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.353 5.929 3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.601 10.639 2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.593 6.455 2.245 1.00 0.00 H new ATOM 0 HH TYR A 77 7.696 9.826 1.844 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.588 8.542 4.573 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.852 8.007 5.108 1.00 0.00 C ATOM 1085 C VAL A 78 -2.439 7.156 4.003 1.00 0.00 C ATOM 1086 O VAL A 78 -2.525 7.576 2.853 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.802 9.133 5.489 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.723 10.241 4.441 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.227 8.586 5.573 1.00 0.00 C ATOM 0 H VAL A 78 -0.682 9.120 3.738 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.686 7.425 6.015 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.520 9.543 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.403 11.048 4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.704 10.625 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.005 9.841 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.910 9.390 5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.517 8.176 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.271 7.801 6.328 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.772 5.946 4.316 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.284 5.036 3.252 1.00 0.00 C ATOM 1101 C ILE A 79 -4.785 4.824 3.342 1.00 0.00 C ATOM 1102 O ILE A 79 -5.418 5.000 4.363 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.575 3.674 3.321 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.471 3.689 4.389 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -1.952 3.362 1.959 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.420 4.742 4.032 1.00 0.00 C ATOM 0 H ILE A 79 -2.716 5.543 5.251 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.070 5.520 2.299 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.308 2.911 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.901 3.908 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.005 2.706 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.448 2.397 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.734 3.329 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.230 4.137 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.361 4.749 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.019 4.504 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.890 5.724 3.986 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.340 4.429 2.241 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.782 4.151 2.170 1.00 0.00 C ATOM 1120 C ASN A 80 -6.979 3.050 1.126 1.00 0.00 C ATOM 1121 O ASN A 80 -6.734 3.235 -0.048 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.525 5.414 1.759 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.909 6.626 2.462 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.275 6.913 3.683 1.00 0.00 O flip ATOM 1125 ND2 ASN A 80 -6.086 7.320 1.897 1.00 0.00 N flip ATOM 0 H ASN A 80 -4.836 4.285 1.366 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.171 3.831 3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.473 5.543 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.580 5.328 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.799 7.097 0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.682 8.125 2.376 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.408 1.906 1.558 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.620 0.765 0.629 1.00 0.00 C ATOM 1134 C LEU A 81 -8.933 0.121 1.026 1.00 0.00 C ATOM 1135 O LEU A 81 -9.099 -0.305 2.145 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.463 -0.233 0.774 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.729 -1.522 -0.013 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.494 -2.499 0.868 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.545 -1.228 -1.269 1.00 0.00 C ATOM 0 H LEU A 81 -7.626 1.706 2.534 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.652 1.091 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.539 0.226 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.318 -0.472 1.827 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.774 -1.955 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.685 -3.417 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.904 -2.728 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.442 -2.053 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.723 -2.156 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.500 -0.784 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.996 -0.534 -1.905 1.00 0.00 H new ATOM 1151 N THR A 82 -9.885 0.104 0.149 1.00 0.00 N ATOM 1152 CA THR A 82 -11.215 -0.450 0.540 1.00 0.00 C ATOM 1153 C THR A 82 -11.766 -1.415 -0.505 1.00 0.00 C ATOM 1154 O THR A 82 -11.707 -1.169 -1.693 1.00 0.00 O ATOM 1155 CB THR A 82 -12.175 0.732 0.697 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.933 1.686 -0.332 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.947 1.393 2.054 1.00 0.00 C ATOM 0 H THR A 82 -9.811 0.443 -0.810 1.00 0.00 H new ATOM 0 HA THR A 82 -11.108 -1.011 1.468 1.00 0.00 H new ATOM 0 HB THR A 82 -13.202 0.373 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.407 1.270 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.630 2.235 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.130 0.668 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.919 1.749 2.117 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.330 -2.508 -0.056 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.923 -3.490 -1.024 1.00 0.00 C ATOM 1167 C LEU A 83 -14.240 -4.038 -0.467 1.00 0.00 C ATOM 1168 O LEU A 83 -14.293 -5.156 -0.010 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.951 -4.655 -1.259 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.395 -5.487 -2.479 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.574 -6.381 -2.093 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.834 -4.558 -3.612 1.00 0.00 C ATOM 0 H LEU A 83 -12.407 -2.764 0.928 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.109 -2.979 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.944 -4.270 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.912 -5.289 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.556 -6.100 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.885 -6.967 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.273 -7.052 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.406 -5.762 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.146 -5.153 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.668 -3.942 -3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.001 -3.916 -3.899 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.285 -3.241 -0.506 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.638 -3.656 0.001 1.00 0.00 C ATOM 1186 C ASP A 84 -17.279 -2.463 0.702 1.00 0.00 C ATOM 1187 O ASP A 84 -18.478 -2.399 0.885 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.568 -4.842 0.974 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.534 -6.159 0.188 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.080 -6.190 -0.902 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.960 -7.111 0.691 1.00 0.00 O ATOM 0 H ASP A 84 -15.255 -2.292 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.232 -3.979 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.679 -4.759 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.430 -4.828 1.641 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.470 -1.527 1.122 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.999 -0.343 1.844 1.00 0.00 C ATOM 1198 C GLY A 85 -16.187 -0.142 3.129 1.00 0.00 C ATOM 1199 O GLY A 85 -16.456 0.753 3.906 1.00 0.00 O ATOM 0 H GLY A 85 -15.458 -1.536 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.933 0.544 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.053 -0.487 2.082 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.183 -0.959 3.359 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.358 -0.798 4.582 1.00 0.00 C ATOM 1205 C ASP A 86 -12.897 -0.736 4.148 1.00 0.00 C ATOM 1206 O ASP A 86 -12.593 -0.902 2.984 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.575 -1.993 5.512 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.451 -1.571 6.693 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -16.554 -1.108 6.451 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.005 -1.716 7.819 1.00 0.00 O ATOM 0 H ASP A 86 -14.907 -1.727 2.748 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.636 0.110 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.050 -2.809 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.616 -2.365 5.872 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.985 -0.499 5.044 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.562 -0.430 4.619 1.00 0.00 C ATOM 1217 C ASN A 87 -9.786 -1.614 5.191 1.00 0.00 C ATOM 1218 O ASN A 87 -10.191 -2.226 6.160 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.941 0.877 5.113 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.272 1.076 6.593 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -10.237 0.139 7.367 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.593 2.265 7.022 1.00 0.00 N ATOM 0 H ASN A 87 -12.158 -0.352 6.038 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.515 -0.466 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.860 0.854 4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.321 1.715 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.815 2.409 8.007 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.622 3.051 6.372 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.672 -1.946 4.595 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.880 -3.096 5.112 1.00 0.00 C ATOM 1231 C VAL A 88 -7.323 -2.735 6.501 1.00 0.00 C ATOM 1232 O VAL A 88 -7.417 -1.605 6.934 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.743 -3.423 4.135 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.627 -4.198 4.844 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.302 -4.292 3.011 1.00 0.00 C ATOM 0 H VAL A 88 -8.280 -1.475 3.780 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.514 -3.978 5.203 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.334 -2.492 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.830 -4.420 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.228 -3.596 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.028 -5.130 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.505 -4.533 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.707 -5.213 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.093 -3.751 2.492 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.772 -3.687 7.217 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.254 -3.382 8.589 1.00 0.00 C ATOM 1247 C ASN A 89 -4.840 -2.788 8.535 1.00 0.00 C ATOM 1248 O ASN A 89 -4.089 -2.873 9.486 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.241 -4.666 9.426 1.00 0.00 C ATOM 1250 CG ASN A 89 -5.024 -5.520 9.055 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -4.000 -5.452 9.705 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -5.093 -6.326 8.033 1.00 0.00 N ATOM 0 H ASN A 89 -6.659 -4.654 6.914 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.913 -2.644 9.046 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.212 -4.418 10.487 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.158 -5.231 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.288 -6.899 7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.952 -6.384 7.486 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.475 -2.184 7.446 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.111 -1.579 7.352 1.00 0.00 C ATOM 1261 C GLY A 90 -3.141 -0.349 6.437 1.00 0.00 C ATOM 1262 O GLY A 90 -2.115 0.136 6.002 1.00 0.00 O ATOM 0 H GLY A 90 -5.056 -2.079 6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.762 -1.295 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.405 -2.313 6.964 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.309 0.140 6.115 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.406 1.310 5.200 1.00 0.00 C ATOM 1268 C PHE A 91 -4.799 2.597 5.914 1.00 0.00 C ATOM 1269 O PHE A 91 -4.217 3.622 5.633 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.409 0.997 4.121 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.625 0.547 2.938 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.258 -0.789 2.828 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.230 1.469 1.975 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.499 -1.210 1.746 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.471 1.058 0.887 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.101 -0.287 0.767 1.00 0.00 C ATOM 0 H PHE A 91 -5.202 -0.223 6.448 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.416 1.482 4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.101 0.220 4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.007 1.876 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.563 -1.498 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.514 2.506 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.214 -2.248 1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.167 1.773 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.511 -0.613 -0.077 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.730 2.546 6.834 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.119 3.754 7.557 1.00 0.00 C ATOM 1288 C PRO A 92 -5.006 4.112 8.536 1.00 0.00 C ATOM 1289 O PRO A 92 -5.170 4.938 9.413 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.425 3.368 8.257 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.432 1.827 8.337 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.447 1.328 7.263 1.00 0.00 C ATOM 0 HA PRO A 92 -6.268 4.632 6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.478 3.810 9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.288 3.733 7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.129 1.489 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.433 1.434 8.158 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.761 0.584 7.667 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.970 0.860 6.429 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.856 3.504 8.368 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.717 3.810 9.251 1.00 0.00 C ATOM 1302 C LYS A 93 -1.863 4.863 8.566 1.00 0.00 C ATOM 1303 O LYS A 93 -2.072 5.203 7.406 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.902 2.535 9.477 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.896 2.761 10.608 1.00 0.00 C ATOM 1306 CD LYS A 93 0.484 3.046 10.015 1.00 0.00 C ATOM 1307 CE LYS A 93 1.425 1.880 10.326 1.00 0.00 C ATOM 1308 NZ LYS A 93 2.815 2.393 10.490 1.00 0.00 N ATOM 0 H LYS A 93 -3.669 2.806 7.648 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.061 4.182 10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.565 1.707 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.379 2.259 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.215 3.596 11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.853 1.882 11.251 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.406 3.187 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.885 3.971 10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.104 1.372 11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.390 1.146 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.479 1.593 10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.052 3.015 9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.885 2.929 11.379 1.00 0.00 H new ATOM 1322 N THR A 94 -0.916 5.398 9.270 1.00 0.00 N ATOM 1323 CA THR A 94 -0.067 6.441 8.667 1.00 0.00 C ATOM 1324 C THR A 94 1.395 6.056 8.772 1.00 0.00 C ATOM 1325 O THR A 94 1.906 5.783 9.840 1.00 0.00 O ATOM 1326 CB THR A 94 -0.295 7.760 9.398 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.691 7.993 9.520 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.356 8.889 8.606 1.00 0.00 C ATOM 0 H THR A 94 -0.695 5.157 10.236 1.00 0.00 H new ATOM 0 HA THR A 94 -0.330 6.547 7.615 1.00 0.00 H new ATOM 0 HB THR A 94 0.148 7.717 10.393 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.841 8.839 9.991 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.197 9.835 9.123 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.426 8.700 8.516 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.089 8.940 7.612 1.00 0.00 H new ATOM 1336 N VAL A 95 2.085 6.065 7.672 1.00 0.00 N ATOM 1337 CA VAL A 95 3.532 5.732 7.727 1.00 0.00 C ATOM 1338 C VAL A 95 4.306 7.051 7.716 1.00 0.00 C ATOM 1339 O VAL A 95 3.787 8.068 7.299 1.00 0.00 O ATOM 1340 CB VAL A 95 3.925 4.824 6.555 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.426 4.898 6.301 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.571 3.381 6.900 1.00 0.00 C ATOM 0 H VAL A 95 1.717 6.285 6.747 1.00 0.00 H new ATOM 0 HA VAL A 95 3.769 5.177 8.634 1.00 0.00 H new ATOM 0 HB VAL A 95 3.389 5.154 5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.686 4.247 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.704 5.924 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.962 4.575 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.848 2.730 6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.113 3.078 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.499 3.303 7.080 1.00 0.00 H new ATOM 1352 N THR A 96 5.509 7.079 8.225 1.00 0.00 N ATOM 1353 CA THR A 96 6.229 8.384 8.283 1.00 0.00 C ATOM 1354 C THR A 96 7.567 8.379 7.533 1.00 0.00 C ATOM 1355 O THR A 96 8.347 7.451 7.605 1.00 0.00 O ATOM 1356 CB THR A 96 6.492 8.735 9.749 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.255 8.966 10.408 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.358 9.994 9.827 1.00 0.00 C ATOM 0 H THR A 96 6.015 6.274 8.595 1.00 0.00 H new ATOM 0 HA THR A 96 5.591 9.121 7.794 1.00 0.00 H new ATOM 0 HB THR A 96 7.013 7.909 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.422 9.189 11.348 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.545 10.243 10.872 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.307 9.815 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.840 10.822 9.343 1.00 0.00 H new ATOM 1366 N VAL A 97 7.842 9.471 6.866 1.00 0.00 N ATOM 1367 CA VAL A 97 9.137 9.651 6.146 1.00 0.00 C ATOM 1368 C VAL A 97 9.803 10.913 6.710 1.00 0.00 C ATOM 1369 O VAL A 97 9.136 11.867 7.074 1.00 0.00 O ATOM 1370 CB VAL A 97 8.902 9.792 4.630 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.043 10.565 3.999 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.910 8.417 3.968 1.00 0.00 C ATOM 0 H VAL A 97 7.206 10.265 6.789 1.00 0.00 H new ATOM 0 HA VAL A 97 9.779 8.782 6.293 1.00 0.00 H new ATOM 0 HB VAL A 97 7.947 10.298 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.869 10.660 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.102 11.557 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.980 10.034 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.743 8.528 2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.874 7.937 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.119 7.802 4.397 1.00 0.00 H new ATOM 1382 N LYS A 98 11.106 10.923 6.788 1.00 0.00 N ATOM 1383 CA LYS A 98 11.815 12.109 7.360 1.00 0.00 C ATOM 1384 C LYS A 98 12.227 13.044 6.215 1.00 0.00 C ATOM 1385 O LYS A 98 11.830 12.823 5.090 1.00 0.00 O ATOM 1386 CB LYS A 98 13.054 11.627 8.133 1.00 0.00 C ATOM 1387 CG LYS A 98 12.870 10.183 8.614 1.00 0.00 C ATOM 1388 CD LYS A 98 11.668 10.105 9.556 1.00 0.00 C ATOM 1389 CE LYS A 98 12.127 9.599 10.925 1.00 0.00 C ATOM 1390 NZ LYS A 98 11.019 9.752 11.910 1.00 0.00 N ATOM 0 H LYS A 98 11.712 10.162 6.481 1.00 0.00 H new ATOM 0 HA LYS A 98 11.161 12.651 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.935 11.692 7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.231 12.280 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.720 9.521 7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.769 9.843 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.206 11.087 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.912 9.437 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.425 8.553 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.002 10.158 11.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.332 9.408 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.755 10.755 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.196 9.200 11.595 1.00 0.00 H new ATOM 1404 N PRO A 99 12.985 14.082 6.517 1.00 0.00 N ATOM 1405 CA PRO A 99 13.388 15.056 5.492 1.00 0.00 C ATOM 1406 C PRO A 99 14.368 14.424 4.511 1.00 0.00 C ATOM 1407 O PRO A 99 15.568 14.435 4.697 1.00 0.00 O ATOM 1408 CB PRO A 99 13.999 16.212 6.291 1.00 0.00 C ATOM 1409 CG PRO A 99 14.389 15.633 7.665 1.00 0.00 C ATOM 1410 CD PRO A 99 13.535 14.366 7.864 1.00 0.00 C ATOM 0 HA PRO A 99 12.561 15.404 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.871 16.619 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.285 17.028 6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.452 15.394 7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 99 14.201 16.356 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 99 14.136 13.535 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.741 14.532 8.592 1.00 0.00 H new ATOM 1418 N ALA A 100 13.833 13.869 3.462 1.00 0.00 N ATOM 1419 CA ALA A 100 14.672 13.214 2.430 1.00 0.00 C ATOM 1420 C ALA A 100 15.821 14.152 2.033 1.00 0.00 C ATOM 1421 O ALA A 100 15.588 15.203 1.470 1.00 0.00 O ATOM 1422 CB ALA A 100 13.795 12.928 1.213 1.00 0.00 C ATOM 0 H ALA A 100 12.831 13.843 3.275 1.00 0.00 H new ATOM 0 HA ALA A 100 15.093 12.285 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.392 12.445 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.975 12.270 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.391 13.864 0.828 1.00 0.00 H new TER 1428 ALA A 100