USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 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 151:sc= -7.88! USER MOD Set 1.2: A 77 TYR OH : rot 25:sc= -5.52! USER MOD Single : A 1 ALA N :NH3+ -143:sc= 0.0441 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 105:sc= -4.84! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.452 K(o=-0.45,f=-3.8!) USER MOD Single : A 22 SER OG : rot 98:sc= 1.1 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= -5.23! C(o=-5.2!,f=-7.5!) USER MOD Single : A 35 HIS : no HD1:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 57 MET CE :methyl 159:sc= -3.97! (180deg=-5.59!) USER MOD Single : A 60 ASN : amide:sc= -0.769 K(o=-0.77,f=-4!) USER MOD Single : A 64 THR OG1 : rot 14:sc= 0.464 USER MOD Single : A 65 TYR OH : rot -34:sc= -2.46! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.82! C(o=-1.8!,f=-4.1!) USER MOD Single : A 82 THR OG1 : rot 10:sc= -6.97! USER MOD Single : A 87 ASN : amide:sc= -5.81! C(o=-5.8!,f=-9.6!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) 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+ -159:sc= -0.0706 (180deg=-0.553) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.728 -11.634 -0.166 1.00 0.00 N ATOM 2 CA ALA A 1 -17.739 -10.837 -0.945 1.00 0.00 C ATOM 3 C ALA A 1 -16.341 -11.049 -0.371 1.00 0.00 C ATOM 4 O ALA A 1 -16.026 -12.090 0.169 1.00 0.00 O ATOM 5 CB ALA A 1 -18.105 -9.347 -0.882 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.454 -12.011 -0.809 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.242 -12.422 0.308 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.179 -11.026 0.547 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.754 -11.165 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.378 -8.769 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.099 -9.198 -1.304 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.098 -9.014 0.156 1.00 0.00 H new ATOM 13 N ASP A 2 -15.501 -10.064 -0.493 1.00 0.00 N ATOM 14 CA ASP A 2 -14.112 -10.181 0.028 1.00 0.00 C ATOM 15 C ASP A 2 -13.849 -9.150 1.144 1.00 0.00 C ATOM 16 O ASP A 2 -12.838 -8.485 1.140 1.00 0.00 O ATOM 17 CB ASP A 2 -13.141 -9.943 -1.126 1.00 0.00 C ATOM 18 CG ASP A 2 -11.732 -9.907 -0.569 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.554 -10.389 0.534 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.857 -9.394 -1.244 1.00 0.00 O ATOM 0 H ASP A 2 -15.719 -9.172 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.972 -11.177 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.234 -10.735 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.373 -9.005 -1.629 1.00 0.00 H new ATOM 25 N PRO A 3 -14.736 -9.068 2.102 1.00 0.00 N ATOM 26 CA PRO A 3 -14.551 -8.157 3.242 1.00 0.00 C ATOM 27 C PRO A 3 -13.538 -8.777 4.211 1.00 0.00 C ATOM 28 O PRO A 3 -13.252 -8.237 5.260 1.00 0.00 O ATOM 29 CB PRO A 3 -15.937 -8.096 3.888 1.00 0.00 C ATOM 30 CG PRO A 3 -16.669 -9.385 3.448 1.00 0.00 C ATOM 31 CD PRO A 3 -15.991 -9.845 2.146 1.00 0.00 C ATOM 0 HA PRO A 3 -14.180 -7.171 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.859 -8.043 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.480 -7.209 3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.597 -10.155 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.730 -9.194 3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.796 -10.917 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.617 -9.642 1.277 1.00 0.00 H new ATOM 39 N GLU A 4 -13.022 -9.932 3.874 1.00 0.00 N ATOM 40 CA GLU A 4 -12.062 -10.618 4.778 1.00 0.00 C ATOM 41 C GLU A 4 -10.922 -11.263 3.985 1.00 0.00 C ATOM 42 O GLU A 4 -10.202 -12.097 4.497 1.00 0.00 O ATOM 43 CB GLU A 4 -12.820 -11.718 5.494 1.00 0.00 C ATOM 44 CG GLU A 4 -12.630 -11.579 7.005 1.00 0.00 C ATOM 45 CD GLU A 4 -11.200 -11.974 7.380 1.00 0.00 C ATOM 46 OE1 GLU A 4 -10.282 -11.408 6.810 1.00 0.00 O ATOM 47 OE2 GLU A 4 -11.048 -12.834 8.230 1.00 0.00 O ATOM 0 H GLU A 4 -13.228 -10.428 3.007 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.637 -9.892 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.880 -11.663 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.464 -12.693 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.828 -10.552 7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.343 -12.213 7.531 1.00 0.00 H new ATOM 54 N LYS A 5 -10.750 -10.901 2.750 1.00 0.00 N ATOM 55 CA LYS A 5 -9.656 -11.512 1.951 1.00 0.00 C ATOM 56 C LYS A 5 -9.095 -10.452 1.016 1.00 0.00 C ATOM 57 O LYS A 5 -8.674 -10.734 -0.090 1.00 0.00 O ATOM 58 CB LYS A 5 -10.206 -12.686 1.137 1.00 0.00 C ATOM 59 CG LYS A 5 -9.330 -13.919 1.363 1.00 0.00 C ATOM 60 CD LYS A 5 -10.217 -15.146 1.587 1.00 0.00 C ATOM 61 CE LYS A 5 -10.210 -15.519 3.071 1.00 0.00 C ATOM 62 NZ LYS A 5 -9.496 -16.815 3.255 1.00 0.00 N ATOM 0 H LYS A 5 -11.317 -10.210 2.258 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.870 -11.881 2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.233 -12.898 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.226 -12.430 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.681 -14.079 0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.682 -13.764 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.235 -14.936 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.856 -15.983 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.721 -14.737 3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.232 -15.599 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.491 -17.069 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.981 -17.559 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.517 -16.723 2.917 1.00 0.00 H new ATOM 76 N SER A 6 -9.099 -9.228 1.453 1.00 0.00 N ATOM 77 CA SER A 6 -8.574 -8.137 0.593 1.00 0.00 C ATOM 78 C SER A 6 -7.345 -7.529 1.263 1.00 0.00 C ATOM 79 O SER A 6 -7.431 -6.948 2.323 1.00 0.00 O ATOM 80 CB SER A 6 -9.628 -7.044 0.428 1.00 0.00 C ATOM 81 OG SER A 6 -10.905 -7.638 0.274 1.00 0.00 O ATOM 0 H SER A 6 -9.443 -8.935 2.368 1.00 0.00 H new ATOM 0 HA SER A 6 -8.318 -8.545 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.624 -6.386 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.395 -6.427 -0.440 1.00 0.00 H new ATOM 0 HG SER A 6 -11.415 -7.536 1.104 1.00 0.00 H new ATOM 87 N TYR A 7 -6.200 -7.673 0.665 1.00 0.00 N ATOM 88 CA TYR A 7 -4.967 -7.108 1.297 1.00 0.00 C ATOM 89 C TYR A 7 -4.127 -6.329 0.273 1.00 0.00 C ATOM 90 O TYR A 7 -4.048 -6.685 -0.886 1.00 0.00 O ATOM 91 CB TYR A 7 -4.128 -8.252 1.870 1.00 0.00 C ATOM 92 CG TYR A 7 -4.147 -9.417 0.910 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.247 -10.282 0.881 1.00 0.00 C ATOM 94 CD2 TYR A 7 -3.064 -9.630 0.047 1.00 0.00 C ATOM 95 CE1 TYR A 7 -5.265 -11.361 -0.012 1.00 0.00 C ATOM 96 CE2 TYR A 7 -3.083 -10.708 -0.845 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.183 -11.574 -0.874 1.00 0.00 C ATOM 98 OH TYR A 7 -4.201 -12.635 -1.755 1.00 0.00 O ATOM 0 H TYR A 7 -6.058 -8.151 -0.225 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.268 -6.422 2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.103 -7.919 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.523 -8.558 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.081 -10.118 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.215 -8.963 0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.114 -12.029 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.249 -10.872 -1.511 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.374 -12.638 -2.281 1.00 0.00 H new ATOM 108 N ALA A 8 -3.479 -5.276 0.713 1.00 0.00 N ATOM 109 CA ALA A 8 -2.614 -4.470 -0.204 1.00 0.00 C ATOM 110 C ALA A 8 -1.197 -4.433 0.362 1.00 0.00 C ATOM 111 O ALA A 8 -0.985 -4.037 1.492 1.00 0.00 O ATOM 112 CB ALA A 8 -3.134 -3.035 -0.304 1.00 0.00 C ATOM 0 H ALA A 8 -3.513 -4.939 1.675 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.625 -4.927 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.494 -2.462 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.152 -3.043 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.127 -2.576 0.685 1.00 0.00 H new ATOM 118 N GLU A 9 -0.220 -4.838 -0.400 1.00 0.00 N ATOM 119 CA GLU A 9 1.171 -4.811 0.133 1.00 0.00 C ATOM 120 C GLU A 9 2.149 -4.462 -0.984 1.00 0.00 C ATOM 121 O GLU A 9 1.991 -4.866 -2.123 1.00 0.00 O ATOM 122 CB GLU A 9 1.524 -6.180 0.715 1.00 0.00 C ATOM 123 CG GLU A 9 1.394 -7.251 -0.371 1.00 0.00 C ATOM 124 CD GLU A 9 1.748 -8.618 0.218 1.00 0.00 C ATOM 125 OE1 GLU A 9 2.131 -8.660 1.376 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.633 -9.599 -0.499 1.00 0.00 O ATOM 0 H GLU A 9 -0.321 -5.182 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 9 1.239 -4.056 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.541 -6.168 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.863 -6.413 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.377 -7.264 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.056 -7.020 -1.206 1.00 0.00 H new ATOM 133 N GLY A 10 3.156 -3.703 -0.664 1.00 0.00 N ATOM 134 CA GLY A 10 4.150 -3.324 -1.696 1.00 0.00 C ATOM 135 C GLY A 10 5.425 -2.814 -1.033 1.00 0.00 C ATOM 136 O GLY A 10 5.461 -2.605 0.163 1.00 0.00 O ATOM 0 H GLY A 10 3.332 -3.329 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.377 -4.184 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.735 -2.553 -2.346 1.00 0.00 H new ATOM 140 N PRO A 11 6.421 -2.570 -1.848 1.00 0.00 N ATOM 141 CA PRO A 11 7.703 -2.011 -1.394 1.00 0.00 C ATOM 142 C PRO A 11 7.543 -0.490 -1.222 1.00 0.00 C ATOM 143 O PRO A 11 8.501 0.237 -1.048 1.00 0.00 O ATOM 144 CB PRO A 11 8.666 -2.338 -2.537 1.00 0.00 C ATOM 145 CG PRO A 11 7.789 -2.544 -3.797 1.00 0.00 C ATOM 146 CD PRO A 11 6.364 -2.845 -3.299 1.00 0.00 C ATOM 0 HA PRO A 11 8.053 -2.409 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.380 -1.528 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.244 -3.235 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.799 -1.654 -4.426 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.169 -3.366 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.627 -2.214 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.083 -3.879 -3.498 1.00 0.00 H new ATOM 154 N GLY A 12 6.322 -0.019 -1.277 1.00 0.00 N ATOM 155 CA GLY A 12 6.037 1.429 -1.127 1.00 0.00 C ATOM 156 C GLY A 12 5.174 1.620 0.114 1.00 0.00 C ATOM 157 O GLY A 12 4.526 0.704 0.542 1.00 0.00 O ATOM 0 H GLY A 12 5.495 -0.598 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.966 1.991 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.522 1.808 -2.010 1.00 0.00 H new ATOM 161 N LEU A 13 5.161 2.792 0.692 1.00 0.00 N ATOM 162 CA LEU A 13 4.315 3.032 1.907 1.00 0.00 C ATOM 163 C LEU A 13 5.062 2.617 3.165 1.00 0.00 C ATOM 164 O LEU A 13 4.621 2.856 4.271 1.00 0.00 O ATOM 165 CB LEU A 13 2.978 2.288 1.758 1.00 0.00 C ATOM 166 CG LEU A 13 2.879 0.987 2.599 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.722 1.110 3.584 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.599 -0.210 1.682 1.00 0.00 C ATOM 0 H LEU A 13 5.700 3.598 0.377 1.00 0.00 H new ATOM 0 HA LEU A 13 4.100 4.096 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.168 2.957 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.827 2.041 0.707 1.00 0.00 H new ATOM 0 HG LEU A 13 3.820 0.839 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.650 0.198 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.896 1.959 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.792 1.261 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.531 -1.119 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.658 -0.052 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.408 -0.311 0.959 1.00 0.00 H new ATOM 180 N ASP A 14 6.205 2.029 3.005 1.00 0.00 N ATOM 181 CA ASP A 14 7.000 1.636 4.197 1.00 0.00 C ATOM 182 C ASP A 14 7.421 2.911 4.912 1.00 0.00 C ATOM 183 O ASP A 14 7.756 2.915 6.080 1.00 0.00 O ATOM 184 CB ASP A 14 8.254 0.904 3.753 1.00 0.00 C ATOM 185 CG ASP A 14 7.927 -0.023 2.582 1.00 0.00 C ATOM 186 OD1 ASP A 14 6.782 -0.434 2.480 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.825 -0.306 1.806 1.00 0.00 O ATOM 0 H ASP A 14 6.626 1.802 2.104 1.00 0.00 H new ATOM 0 HA ASP A 14 6.409 0.990 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.019 1.622 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.662 0.327 4.583 1.00 0.00 H new ATOM 192 N GLY A 15 7.403 3.996 4.195 1.00 0.00 N ATOM 193 CA GLY A 15 7.798 5.305 4.793 1.00 0.00 C ATOM 194 C GLY A 15 9.314 5.443 4.814 1.00 0.00 C ATOM 195 O GLY A 15 9.998 5.192 3.840 1.00 0.00 O ATOM 0 H GLY A 15 7.130 4.036 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.360 6.121 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.405 5.382 5.807 1.00 0.00 H new ATOM 199 N GLY A 16 9.833 5.839 5.938 1.00 0.00 N ATOM 200 CA GLY A 16 11.309 6.002 6.081 1.00 0.00 C ATOM 201 C GLY A 16 11.839 7.121 5.190 1.00 0.00 C ATOM 202 O GLY A 16 12.389 8.092 5.668 1.00 0.00 O ATOM 0 H GLY A 16 9.294 6.060 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.553 6.218 7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.806 5.066 5.825 1.00 0.00 H new ATOM 206 N GLU A 17 11.720 6.987 3.900 1.00 0.00 N ATOM 207 CA GLU A 17 12.268 8.045 3.012 1.00 0.00 C ATOM 208 C GLU A 17 11.209 8.570 2.048 1.00 0.00 C ATOM 209 O GLU A 17 10.375 7.841 1.551 1.00 0.00 O ATOM 210 CB GLU A 17 13.409 7.465 2.196 1.00 0.00 C ATOM 211 CG GLU A 17 14.631 7.251 3.091 1.00 0.00 C ATOM 212 CD GLU A 17 15.076 5.791 3.006 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.330 4.937 3.454 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.158 5.552 2.494 1.00 0.00 O ATOM 0 H GLU A 17 11.273 6.201 3.428 1.00 0.00 H new ATOM 0 HA GLU A 17 12.610 8.868 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.104 6.519 1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.661 8.138 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.443 7.908 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.390 7.509 4.122 1.00 0.00 H new ATOM 221 N CYS A 18 11.258 9.842 1.782 1.00 0.00 N ATOM 222 CA CYS A 18 10.267 10.457 0.838 1.00 0.00 C ATOM 223 C CYS A 18 10.795 10.365 -0.593 1.00 0.00 C ATOM 224 O CYS A 18 10.053 10.495 -1.547 1.00 0.00 O ATOM 225 CB CYS A 18 10.051 11.944 1.152 1.00 0.00 C ATOM 226 SG CYS A 18 8.614 12.161 2.238 1.00 0.00 S ATOM 0 H CYS A 18 11.940 10.491 2.175 1.00 0.00 H new ATOM 0 HA CYS A 18 9.328 9.916 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.941 12.354 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.902 12.499 0.226 1.00 0.00 H new ATOM 0 HG CYS A 18 8.778 13.225 2.967 1.00 0.00 H new ATOM 232 N PHE A 19 12.072 10.170 -0.758 1.00 0.00 N ATOM 233 CA PHE A 19 12.637 10.101 -2.137 1.00 0.00 C ATOM 234 C PHE A 19 12.611 8.671 -2.641 1.00 0.00 C ATOM 235 O PHE A 19 13.168 8.349 -3.672 1.00 0.00 O ATOM 236 CB PHE A 19 14.057 10.656 -2.146 1.00 0.00 C ATOM 237 CG PHE A 19 13.942 12.150 -2.037 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.278 12.696 -0.943 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.459 12.985 -3.034 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.128 14.071 -0.827 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.301 14.372 -2.923 1.00 0.00 C ATOM 242 CZ PHE A 19 13.635 14.911 -1.814 1.00 0.00 C ATOM 0 H PHE A 19 12.748 10.056 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 19 12.026 10.708 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.635 10.252 -1.315 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.576 10.374 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 19 12.877 12.046 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.976 12.563 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.618 14.489 0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.691 15.025 -3.690 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.515 15.981 -1.725 1.00 0.00 H new ATOM 252 N GLN A 20 11.916 7.823 -1.951 1.00 0.00 N ATOM 253 CA GLN A 20 11.787 6.428 -2.416 1.00 0.00 C ATOM 254 C GLN A 20 10.435 6.353 -3.109 1.00 0.00 C ATOM 255 O GLN A 20 9.485 6.964 -2.660 1.00 0.00 O ATOM 256 CB GLN A 20 11.827 5.468 -1.221 1.00 0.00 C ATOM 257 CG GLN A 20 13.282 5.211 -0.820 1.00 0.00 C ATOM 258 CD GLN A 20 13.665 3.774 -1.182 1.00 0.00 C ATOM 259 OE1 GLN A 20 12.814 2.968 -1.502 1.00 0.00 O ATOM 260 NE2 GLN A 20 14.920 3.418 -1.146 1.00 0.00 N ATOM 0 H GLN A 20 11.430 8.039 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 20 12.600 6.145 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.277 5.893 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.339 4.528 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.941 5.914 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.410 5.374 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.635 4.095 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.186 2.463 -1.387 1.00 0.00 H new ATOM 269 N PRO A 21 10.375 5.639 -4.187 1.00 0.00 N ATOM 270 CA PRO A 21 9.132 5.521 -4.950 1.00 0.00 C ATOM 271 C PRO A 21 8.119 4.724 -4.144 1.00 0.00 C ATOM 272 O PRO A 21 8.431 3.695 -3.580 1.00 0.00 O ATOM 273 CB PRO A 21 9.559 4.805 -6.237 1.00 0.00 C ATOM 274 CG PRO A 21 10.893 4.093 -5.911 1.00 0.00 C ATOM 275 CD PRO A 21 11.508 4.863 -4.727 1.00 0.00 C ATOM 0 HA PRO A 21 8.649 6.473 -5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.802 4.088 -6.553 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.686 5.515 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.724 3.048 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.561 4.103 -6.772 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.921 4.185 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.320 5.513 -5.051 1.00 0.00 H new ATOM 283 N SER A 22 6.908 5.194 -4.069 1.00 0.00 N ATOM 284 CA SER A 22 5.901 4.454 -3.281 1.00 0.00 C ATOM 285 C SER A 22 4.991 3.710 -4.234 1.00 0.00 C ATOM 286 O SER A 22 4.229 4.307 -4.958 1.00 0.00 O ATOM 287 CB SER A 22 5.038 5.427 -2.518 1.00 0.00 C ATOM 288 OG SER A 22 5.845 6.462 -1.971 1.00 0.00 O ATOM 0 H SER A 22 6.578 6.050 -4.516 1.00 0.00 H new ATOM 0 HA SER A 22 6.412 3.775 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.283 5.853 -3.179 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.507 4.908 -1.720 1.00 0.00 H new ATOM 0 HG SER A 22 5.813 7.246 -2.558 1.00 0.00 H new ATOM 294 N LYS A 23 5.056 2.418 -4.240 1.00 0.00 N ATOM 295 CA LYS A 23 4.178 1.653 -5.141 1.00 0.00 C ATOM 296 C LYS A 23 3.832 0.325 -4.495 1.00 0.00 C ATOM 297 O LYS A 23 4.683 -0.378 -3.994 1.00 0.00 O ATOM 298 CB LYS A 23 4.891 1.392 -6.457 1.00 0.00 C ATOM 299 CG LYS A 23 5.696 2.627 -6.869 1.00 0.00 C ATOM 300 CD LYS A 23 6.359 2.378 -8.225 1.00 0.00 C ATOM 301 CE LYS A 23 7.524 1.402 -8.048 1.00 0.00 C ATOM 302 NZ LYS A 23 8.119 1.091 -9.377 1.00 0.00 N ATOM 0 H LYS A 23 5.681 1.860 -3.658 1.00 0.00 H new ATOM 0 HA LYS A 23 3.269 2.226 -5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.554 0.532 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.164 1.146 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.042 3.497 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.454 2.847 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.633 1.971 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.718 3.318 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.279 1.836 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.176 0.486 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.911 0.428 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.397 0.660 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.466 1.968 -9.816 1.00 0.00 H new ATOM 316 N PHE A 24 2.584 -0.020 -4.503 1.00 0.00 N ATOM 317 CA PHE A 24 2.168 -1.312 -3.887 1.00 0.00 C ATOM 318 C PHE A 24 1.096 -1.960 -4.751 1.00 0.00 C ATOM 319 O PHE A 24 0.418 -1.300 -5.522 1.00 0.00 O ATOM 320 CB PHE A 24 1.616 -1.111 -2.465 1.00 0.00 C ATOM 321 CG PHE A 24 1.683 0.338 -2.082 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.926 0.949 -1.942 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.510 1.069 -1.882 1.00 0.00 C ATOM 324 CE1 PHE A 24 3.009 2.301 -1.603 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.591 2.421 -1.540 1.00 0.00 C ATOM 326 CZ PHE A 24 1.843 3.038 -1.401 1.00 0.00 C ATOM 0 H PHE A 24 1.828 0.533 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 24 3.047 -1.953 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.585 -1.460 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.190 -1.709 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.828 0.376 -2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.453 0.592 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.974 2.775 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.312 2.992 -1.382 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.904 4.084 -1.138 1.00 0.00 H new ATOM 336 N LYS A 25 0.935 -3.246 -4.628 1.00 0.00 N ATOM 337 CA LYS A 25 -0.095 -3.941 -5.441 1.00 0.00 C ATOM 338 C LYS A 25 -1.149 -4.503 -4.496 1.00 0.00 C ATOM 339 O LYS A 25 -0.844 -4.952 -3.407 1.00 0.00 O ATOM 340 CB LYS A 25 0.554 -5.082 -6.226 1.00 0.00 C ATOM 341 CG LYS A 25 1.921 -4.630 -6.745 1.00 0.00 C ATOM 342 CD LYS A 25 2.243 -5.365 -8.047 1.00 0.00 C ATOM 343 CE LYS A 25 3.043 -6.631 -7.734 1.00 0.00 C ATOM 344 NZ LYS A 25 3.591 -7.200 -8.998 1.00 0.00 N ATOM 0 H LYS A 25 1.472 -3.844 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.553 -3.246 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.667 -5.959 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.085 -5.374 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.919 -3.553 -6.914 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.690 -4.835 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.321 -5.624 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.814 -4.716 -8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.855 -6.399 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.405 -7.364 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.135 -8.060 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.808 -7.436 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.213 -6.501 -9.452 1.00 0.00 H new ATOM 358 N ILE A 26 -2.390 -4.459 -4.886 1.00 0.00 N ATOM 359 CA ILE A 26 -3.450 -4.967 -3.986 1.00 0.00 C ATOM 360 C ILE A 26 -4.095 -6.205 -4.593 1.00 0.00 C ATOM 361 O ILE A 26 -4.120 -6.389 -5.792 1.00 0.00 O ATOM 362 CB ILE A 26 -4.500 -3.881 -3.784 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.789 -2.524 -3.674 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.277 -4.177 -2.498 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.703 -1.502 -2.997 1.00 0.00 C ATOM 0 H ILE A 26 -2.712 -4.095 -5.783 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.013 -5.234 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.195 -3.857 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.867 -2.633 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.508 -2.171 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.032 -3.406 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.763 -5.149 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.590 -4.187 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.187 -0.544 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.613 -1.381 -3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.961 -1.851 -1.997 1.00 0.00 H new ATOM 377 N HIS A 27 -4.610 -7.059 -3.762 1.00 0.00 N ATOM 378 CA HIS A 27 -5.250 -8.298 -4.268 1.00 0.00 C ATOM 379 C HIS A 27 -6.526 -8.592 -3.478 1.00 0.00 C ATOM 380 O HIS A 27 -6.501 -8.802 -2.276 1.00 0.00 O ATOM 381 CB HIS A 27 -4.278 -9.467 -4.116 1.00 0.00 C ATOM 382 CG HIS A 27 -2.897 -9.005 -4.473 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.260 -7.995 -3.775 1.00 0.00 N ATOM 384 CD2 HIS A 27 -2.022 -9.390 -5.458 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.061 -7.804 -4.343 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.861 -8.628 -5.375 1.00 0.00 N ATOM 0 H HIS A 27 -4.615 -6.952 -2.748 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.506 -8.164 -5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.297 -9.841 -3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.578 -10.292 -4.762 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.207 -10.166 -6.186 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.342 -7.071 -4.006 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.036 -8.686 -5.972 1.00 0.00 H new ATOM 394 N ALA A 28 -7.638 -8.608 -4.155 1.00 0.00 N ATOM 395 CA ALA A 28 -8.933 -8.897 -3.477 1.00 0.00 C ATOM 396 C ALA A 28 -9.302 -10.371 -3.697 1.00 0.00 C ATOM 397 O ALA A 28 -9.085 -10.914 -4.759 1.00 0.00 O ATOM 398 CB ALA A 28 -10.022 -8.007 -4.085 1.00 0.00 C ATOM 0 H ALA A 28 -7.707 -8.432 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.845 -8.698 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.974 -8.211 -3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.758 -6.959 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.110 -8.217 -5.151 1.00 0.00 H new ATOM 404 N VAL A 29 -9.870 -11.023 -2.711 1.00 0.00 N ATOM 405 CA VAL A 29 -10.265 -12.450 -2.893 1.00 0.00 C ATOM 406 C VAL A 29 -11.709 -12.615 -2.426 1.00 0.00 C ATOM 407 O VAL A 29 -12.046 -12.355 -1.288 1.00 0.00 O ATOM 408 CB VAL A 29 -9.329 -13.372 -2.091 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.082 -14.627 -1.625 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.170 -13.800 -2.990 1.00 0.00 C ATOM 0 H VAL A 29 -10.075 -10.628 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.184 -12.726 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.961 -12.833 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.406 -15.268 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.919 -14.335 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.456 -15.170 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.499 -14.454 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.560 -14.334 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.623 -12.918 -3.323 1.00 0.00 H new ATOM 420 N ASP A 30 -12.553 -13.050 -3.305 1.00 0.00 N ATOM 421 CA ASP A 30 -13.981 -13.244 -2.952 1.00 0.00 C ATOM 422 C ASP A 30 -14.235 -14.748 -2.791 1.00 0.00 C ATOM 423 O ASP A 30 -13.317 -15.535 -2.916 1.00 0.00 O ATOM 424 CB ASP A 30 -14.832 -12.635 -4.074 1.00 0.00 C ATOM 425 CG ASP A 30 -15.101 -13.671 -5.175 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.269 -13.792 -6.058 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.132 -14.320 -5.117 1.00 0.00 O ATOM 0 H ASP A 30 -12.314 -13.284 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.244 -12.753 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.777 -12.276 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.320 -11.771 -4.498 1.00 0.00 H new ATOM 432 N PRO A 31 -15.458 -15.111 -2.510 1.00 0.00 N ATOM 433 CA PRO A 31 -15.826 -16.524 -2.321 1.00 0.00 C ATOM 434 C PRO A 31 -15.945 -17.270 -3.659 1.00 0.00 C ATOM 435 O PRO A 31 -16.622 -18.274 -3.749 1.00 0.00 O ATOM 436 CB PRO A 31 -17.181 -16.449 -1.610 1.00 0.00 C ATOM 437 CG PRO A 31 -17.766 -15.054 -1.930 1.00 0.00 C ATOM 438 CD PRO A 31 -16.581 -14.164 -2.353 1.00 0.00 C ATOM 0 HA PRO A 31 -15.075 -17.076 -1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.847 -17.238 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.063 -16.583 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.506 -15.118 -2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.272 -14.637 -1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.791 -13.636 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.362 -13.407 -1.600 1.00 0.00 H new ATOM 446 N ASP A 32 -15.289 -16.812 -4.699 1.00 0.00 N ATOM 447 CA ASP A 32 -15.386 -17.542 -5.997 1.00 0.00 C ATOM 448 C ASP A 32 -13.985 -17.964 -6.444 1.00 0.00 C ATOM 449 O ASP A 32 -13.780 -18.371 -7.570 1.00 0.00 O ATOM 450 CB ASP A 32 -16.006 -16.630 -7.059 1.00 0.00 C ATOM 451 CG ASP A 32 -17.496 -16.950 -7.200 1.00 0.00 C ATOM 452 OD1 ASP A 32 -18.234 -16.660 -6.273 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.871 -17.479 -8.233 1.00 0.00 O ATOM 0 H ASP A 32 -14.701 -15.979 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.014 -18.424 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.873 -15.585 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.501 -16.771 -8.015 1.00 0.00 H new ATOM 458 N GLY A 33 -13.013 -17.839 -5.581 1.00 0.00 N ATOM 459 CA GLY A 33 -11.624 -18.197 -5.969 1.00 0.00 C ATOM 460 C GLY A 33 -11.149 -17.098 -6.899 1.00 0.00 C ATOM 461 O GLY A 33 -10.405 -17.318 -7.833 1.00 0.00 O ATOM 0 H GLY A 33 -13.124 -17.504 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.981 -18.270 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.596 -19.167 -6.466 1.00 0.00 H new ATOM 465 N VAL A 34 -11.630 -15.910 -6.657 1.00 0.00 N ATOM 466 CA VAL A 34 -11.280 -14.765 -7.525 1.00 0.00 C ATOM 467 C VAL A 34 -11.320 -13.483 -6.698 1.00 0.00 C ATOM 468 O VAL A 34 -11.609 -13.503 -5.518 1.00 0.00 O ATOM 469 CB VAL A 34 -12.323 -14.671 -8.643 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.662 -14.143 -9.911 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.918 -16.058 -8.915 1.00 0.00 C ATOM 0 H VAL A 34 -12.258 -15.687 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.284 -14.899 -7.946 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.119 -13.992 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.404 -14.076 -10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.245 -13.154 -9.719 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.864 -14.821 -10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.659 -15.986 -9.711 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.125 -16.741 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.394 -16.434 -8.009 1.00 0.00 H new ATOM 481 N HIS A 35 -11.061 -12.363 -7.310 1.00 0.00 N ATOM 482 CA HIS A 35 -11.119 -11.084 -6.554 1.00 0.00 C ATOM 483 C HIS A 35 -12.509 -10.482 -6.747 1.00 0.00 C ATOM 484 O HIS A 35 -12.666 -9.361 -7.185 1.00 0.00 O ATOM 485 CB HIS A 35 -10.046 -10.122 -7.075 1.00 0.00 C ATOM 486 CG HIS A 35 -8.791 -10.892 -7.394 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.615 -10.729 -6.673 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.511 -11.828 -8.358 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.695 -11.551 -7.211 1.00 0.00 C ATOM 490 NE2 HIS A 35 -7.189 -12.243 -8.241 1.00 0.00 N ATOM 0 H HIS A 35 -10.813 -12.278 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.933 -11.260 -5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.406 -9.608 -7.966 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.835 -9.357 -6.328 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.212 -12.188 -9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.680 -11.640 -6.853 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.701 -12.929 -8.818 1.00 0.00 H new ATOM 498 N ARG A 36 -13.521 -11.239 -6.422 1.00 0.00 N ATOM 499 CA ARG A 36 -14.915 -10.760 -6.577 1.00 0.00 C ATOM 500 C ARG A 36 -15.217 -10.546 -8.056 1.00 0.00 C ATOM 501 O ARG A 36 -15.433 -9.438 -8.502 1.00 0.00 O ATOM 502 CB ARG A 36 -15.101 -9.452 -5.817 1.00 0.00 C ATOM 503 CG ARG A 36 -16.205 -9.646 -4.780 1.00 0.00 C ATOM 504 CD ARG A 36 -16.869 -8.301 -4.476 1.00 0.00 C ATOM 505 NE ARG A 36 -18.332 -8.393 -4.749 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.761 -8.571 -5.970 1.00 0.00 C ATOM 507 NH1 ARG A 36 -18.838 -7.560 -6.790 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.117 -9.762 -6.368 1.00 0.00 N ATOM 0 H ARG A 36 -13.434 -12.185 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.600 -11.505 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.170 -9.162 -5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.365 -8.649 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -16.947 -10.353 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.789 -10.072 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.700 -8.027 -3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.423 -7.517 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.999 -8.317 -3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.563 -6.629 -6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.173 -7.701 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -19.060 -10.552 -5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.452 -9.902 -7.321 1.00 0.00 H new ATOM 522 N THR A 37 -15.233 -11.599 -8.826 1.00 0.00 N ATOM 523 CA THR A 37 -15.520 -11.441 -10.278 1.00 0.00 C ATOM 524 C THR A 37 -14.683 -10.278 -10.825 1.00 0.00 C ATOM 525 O THR A 37 -15.108 -9.140 -10.793 1.00 0.00 O ATOM 526 CB THR A 37 -17.006 -11.126 -10.465 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.778 -11.997 -9.648 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.393 -11.320 -11.931 1.00 0.00 C ATOM 0 H THR A 37 -15.061 -12.555 -8.515 1.00 0.00 H new ATOM 0 HA THR A 37 -15.271 -12.359 -10.810 1.00 0.00 H new ATOM 0 HB THR A 37 -17.197 -10.092 -10.178 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.730 -11.796 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.452 -11.095 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.801 -10.651 -12.555 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.203 -12.353 -12.224 1.00 0.00 H new ATOM 536 N ASP A 38 -13.495 -10.546 -11.316 1.00 0.00 N ATOM 537 CA ASP A 38 -12.639 -9.446 -11.850 1.00 0.00 C ATOM 538 C ASP A 38 -13.503 -8.447 -12.621 1.00 0.00 C ATOM 539 O ASP A 38 -14.494 -8.805 -13.227 1.00 0.00 O ATOM 540 CB ASP A 38 -11.578 -10.033 -12.783 1.00 0.00 C ATOM 541 CG ASP A 38 -10.234 -9.352 -12.516 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.242 -8.169 -12.215 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.221 -10.024 -12.616 1.00 0.00 O ATOM 0 H ASP A 38 -13.085 -11.478 -11.368 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.151 -8.934 -11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.492 -11.108 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.872 -9.888 -13.823 1.00 0.00 H new ATOM 548 N GLY A 39 -13.139 -7.194 -12.600 1.00 0.00 N ATOM 549 CA GLY A 39 -13.945 -6.174 -13.329 1.00 0.00 C ATOM 550 C GLY A 39 -15.045 -5.630 -12.408 1.00 0.00 C ATOM 551 O GLY A 39 -15.340 -4.452 -12.413 1.00 0.00 O ATOM 0 H GLY A 39 -12.320 -6.833 -12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.302 -5.360 -13.664 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.389 -6.617 -14.220 1.00 0.00 H new ATOM 555 N GLY A 40 -15.659 -6.477 -11.620 1.00 0.00 N ATOM 556 CA GLY A 40 -16.740 -5.995 -10.712 1.00 0.00 C ATOM 557 C GLY A 40 -16.240 -5.979 -9.264 1.00 0.00 C ATOM 558 O GLY A 40 -16.895 -6.473 -8.369 1.00 0.00 O ATOM 0 H GLY A 40 -15.459 -7.476 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.055 -4.994 -11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.613 -6.642 -10.797 1.00 0.00 H new ATOM 562 N ASP A 41 -15.089 -5.409 -9.024 1.00 0.00 N ATOM 563 CA ASP A 41 -14.563 -5.360 -7.629 1.00 0.00 C ATOM 564 C ASP A 41 -14.717 -3.941 -7.085 1.00 0.00 C ATOM 565 O ASP A 41 -14.104 -3.016 -7.578 1.00 0.00 O ATOM 566 CB ASP A 41 -13.077 -5.737 -7.619 1.00 0.00 C ATOM 567 CG ASP A 41 -12.880 -7.076 -8.330 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.874 -7.720 -8.621 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.740 -7.432 -8.574 1.00 0.00 O ATOM 0 H ASP A 41 -14.493 -4.977 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.121 -6.063 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.492 -4.962 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.715 -5.803 -6.593 1.00 0.00 H new ATOM 574 N GLY A 42 -15.516 -3.758 -6.067 1.00 0.00 N ATOM 575 CA GLY A 42 -15.678 -2.393 -5.491 1.00 0.00 C ATOM 576 C GLY A 42 -14.349 -1.995 -4.855 1.00 0.00 C ATOM 577 O GLY A 42 -14.223 -1.903 -3.651 1.00 0.00 O ATOM 0 H GLY A 42 -16.060 -4.491 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.958 -1.681 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.475 -2.384 -4.748 1.00 0.00 H new ATOM 581 N PHE A 43 -13.346 -1.797 -5.663 1.00 0.00 N ATOM 582 CA PHE A 43 -12.006 -1.450 -5.124 1.00 0.00 C ATOM 583 C PHE A 43 -11.758 0.054 -5.189 1.00 0.00 C ATOM 584 O PHE A 43 -11.804 0.663 -6.240 1.00 0.00 O ATOM 585 CB PHE A 43 -10.944 -2.159 -5.962 1.00 0.00 C ATOM 586 CG PHE A 43 -10.001 -2.918 -5.063 1.00 0.00 C ATOM 587 CD1 PHE A 43 -10.419 -4.105 -4.452 1.00 0.00 C ATOM 588 CD2 PHE A 43 -8.701 -2.444 -4.856 1.00 0.00 C ATOM 589 CE1 PHE A 43 -9.537 -4.818 -3.634 1.00 0.00 C ATOM 590 CE2 PHE A 43 -7.821 -3.155 -4.037 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.239 -4.343 -3.425 1.00 0.00 C ATOM 0 H PHE A 43 -13.399 -1.861 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.958 -1.765 -4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.420 -2.843 -6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.389 -1.431 -6.553 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.423 -4.471 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.378 -1.529 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.859 -5.736 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.818 -2.788 -3.876 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.558 -4.892 -2.791 1.00 0.00 H new ATOM 601 N VAL A 44 -11.450 0.643 -4.071 1.00 0.00 N ATOM 602 CA VAL A 44 -11.140 2.097 -4.040 1.00 0.00 C ATOM 603 C VAL A 44 -9.915 2.287 -3.145 1.00 0.00 C ATOM 604 O VAL A 44 -9.965 2.062 -1.951 1.00 0.00 O ATOM 605 CB VAL A 44 -12.344 2.902 -3.498 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.198 2.031 -2.572 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.854 4.133 -2.717 1.00 0.00 C ATOM 0 H VAL A 44 -11.399 0.174 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.936 2.463 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.946 3.224 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.041 2.613 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.569 1.168 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.593 1.691 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.712 4.691 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.236 3.810 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.267 4.772 -3.376 1.00 0.00 H new ATOM 617 N VAL A 45 -8.816 2.697 -3.711 1.00 0.00 N ATOM 618 CA VAL A 45 -7.594 2.899 -2.890 1.00 0.00 C ATOM 619 C VAL A 45 -7.173 4.358 -2.969 1.00 0.00 C ATOM 620 O VAL A 45 -7.448 5.042 -3.935 1.00 0.00 O ATOM 621 CB VAL A 45 -6.470 2.007 -3.408 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.192 2.276 -2.608 1.00 0.00 C ATOM 623 CG2 VAL A 45 -6.874 0.540 -3.248 1.00 0.00 C ATOM 0 H VAL A 45 -8.712 2.900 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.804 2.637 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.289 2.223 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.390 1.638 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.906 3.322 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.370 2.060 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.073 -0.100 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.054 0.325 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.783 0.349 -3.818 1.00 0.00 H new ATOM 633 N THR A 46 -6.520 4.847 -1.959 1.00 0.00 N ATOM 634 CA THR A 46 -6.101 6.268 -1.988 1.00 0.00 C ATOM 635 C THR A 46 -4.973 6.526 -0.990 1.00 0.00 C ATOM 636 O THR A 46 -5.093 6.274 0.194 1.00 0.00 O ATOM 637 CB THR A 46 -7.297 7.158 -1.640 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.383 6.346 -1.214 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.710 7.963 -2.873 1.00 0.00 C ATOM 0 H THR A 46 -6.260 4.328 -1.120 1.00 0.00 H new ATOM 0 HA THR A 46 -5.738 6.500 -2.989 1.00 0.00 H new ATOM 0 HB THR A 46 -7.021 7.842 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.149 6.915 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.562 8.597 -2.625 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.876 8.586 -3.197 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.987 7.281 -3.677 1.00 0.00 H new ATOM 647 N ILE A 47 -3.897 7.072 -1.468 1.00 0.00 N ATOM 648 CA ILE A 47 -2.754 7.419 -0.584 1.00 0.00 C ATOM 649 C ILE A 47 -2.543 8.917 -0.659 1.00 0.00 C ATOM 650 O ILE A 47 -2.891 9.552 -1.633 1.00 0.00 O ATOM 651 CB ILE A 47 -1.452 6.749 -1.052 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.339 5.322 -0.488 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.249 7.595 -0.586 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.117 5.076 -0.062 1.00 0.00 C ATOM 0 H ILE A 47 -3.757 7.297 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.985 7.079 0.425 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.459 6.686 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.008 5.198 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.641 4.593 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.677 7.124 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.320 8.595 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.253 7.665 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.213 4.068 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.772 5.186 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.400 5.800 0.702 1.00 0.00 H new ATOM 666 N GLU A 48 -1.927 9.486 0.329 1.00 0.00 N ATOM 667 CA GLU A 48 -1.659 10.934 0.231 1.00 0.00 C ATOM 668 C GLU A 48 -0.662 11.378 1.301 1.00 0.00 C ATOM 669 O GLU A 48 -0.597 10.836 2.392 1.00 0.00 O ATOM 670 CB GLU A 48 -2.965 11.717 0.374 1.00 0.00 C ATOM 671 CG GLU A 48 -3.882 11.004 1.370 1.00 0.00 C ATOM 672 CD GLU A 48 -4.442 12.020 2.367 1.00 0.00 C ATOM 673 OE1 GLU A 48 -3.689 12.461 3.220 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.614 12.342 2.261 1.00 0.00 O ATOM 0 H GLU A 48 -1.605 9.024 1.179 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.223 11.137 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.758 12.731 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.458 11.802 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.697 10.511 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.329 10.227 1.898 1.00 0.00 H new ATOM 681 N GLY A 49 0.109 12.374 0.972 1.00 0.00 N ATOM 682 CA GLY A 49 1.124 12.921 1.911 1.00 0.00 C ATOM 683 C GLY A 49 1.407 14.369 1.506 1.00 0.00 C ATOM 684 O GLY A 49 0.702 14.924 0.686 1.00 0.00 O ATOM 0 H GLY A 49 0.077 12.844 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.758 12.876 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.038 12.328 1.872 1.00 0.00 H new ATOM 688 N PRO A 50 2.427 14.942 2.082 1.00 0.00 N ATOM 689 CA PRO A 50 2.818 16.331 1.786 1.00 0.00 C ATOM 690 C PRO A 50 3.561 16.403 0.446 1.00 0.00 C ATOM 691 O PRO A 50 4.759 16.605 0.403 1.00 0.00 O ATOM 692 CB PRO A 50 3.746 16.696 2.946 1.00 0.00 C ATOM 693 CG PRO A 50 4.281 15.360 3.512 1.00 0.00 C ATOM 694 CD PRO A 50 3.285 14.267 3.075 1.00 0.00 C ATOM 0 HA PRO A 50 1.968 17.008 1.698 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.565 17.329 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.209 17.255 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.280 15.149 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.358 15.402 4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.799 13.409 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.703 13.897 3.919 1.00 0.00 H new ATOM 702 N ALA A 51 2.863 16.240 -0.647 1.00 0.00 N ATOM 703 CA ALA A 51 3.541 16.300 -1.976 1.00 0.00 C ATOM 704 C ALA A 51 2.524 16.694 -3.055 1.00 0.00 C ATOM 705 O ALA A 51 1.347 16.810 -2.782 1.00 0.00 O ATOM 706 CB ALA A 51 4.135 14.929 -2.309 1.00 0.00 C ATOM 0 H ALA A 51 1.858 16.069 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 51 4.338 17.043 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.630 14.973 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.860 14.651 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.339 14.186 -2.341 1.00 0.00 H new ATOM 712 N PRO A 52 3.018 16.886 -4.253 1.00 0.00 N ATOM 713 CA PRO A 52 2.181 17.269 -5.407 1.00 0.00 C ATOM 714 C PRO A 52 1.432 16.051 -5.957 1.00 0.00 C ATOM 715 O PRO A 52 0.310 16.151 -6.411 1.00 0.00 O ATOM 716 CB PRO A 52 3.197 17.790 -6.429 1.00 0.00 C ATOM 717 CG PRO A 52 4.560 17.164 -6.048 1.00 0.00 C ATOM 718 CD PRO A 52 4.454 16.740 -4.570 1.00 0.00 C ATOM 0 HA PRO A 52 1.417 18.005 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.909 17.507 -7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.249 18.878 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.783 16.306 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.368 17.882 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.792 15.714 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.069 17.372 -3.929 1.00 0.00 H new ATOM 726 N VAL A 53 2.045 14.901 -5.915 1.00 0.00 N ATOM 727 CA VAL A 53 1.372 13.671 -6.429 1.00 0.00 C ATOM 728 C VAL A 53 0.935 12.810 -5.243 1.00 0.00 C ATOM 729 O VAL A 53 1.523 11.782 -4.966 1.00 0.00 O ATOM 730 CB VAL A 53 2.340 12.868 -7.310 1.00 0.00 C ATOM 731 CG1 VAL A 53 2.041 13.153 -8.782 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.789 13.262 -7.004 1.00 0.00 C ATOM 0 H VAL A 53 2.985 14.758 -5.546 1.00 0.00 H new ATOM 0 HA VAL A 53 0.505 13.957 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 53 2.209 11.806 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.727 12.584 -9.409 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.015 12.861 -9.008 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.167 14.218 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.464 12.685 -7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.927 14.325 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.008 13.057 -5.956 1.00 0.00 H new ATOM 742 N ASP A 54 -0.074 13.225 -4.522 1.00 0.00 N ATOM 743 CA ASP A 54 -0.511 12.428 -3.344 1.00 0.00 C ATOM 744 C ASP A 54 -1.584 11.395 -3.739 1.00 0.00 C ATOM 745 O ASP A 54 -1.495 10.252 -3.339 1.00 0.00 O ATOM 746 CB ASP A 54 -1.045 13.376 -2.261 1.00 0.00 C ATOM 747 CG ASP A 54 0.108 14.232 -1.727 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.181 13.689 -1.529 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.104 15.417 -1.528 1.00 0.00 O ATOM 0 H ASP A 54 -0.609 14.075 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 54 0.345 11.877 -2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.827 14.014 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.495 12.804 -1.450 1.00 0.00 H new ATOM 754 N PRO A 55 -2.569 11.810 -4.505 1.00 0.00 N ATOM 755 CA PRO A 55 -3.658 10.913 -4.940 1.00 0.00 C ATOM 756 C PRO A 55 -3.222 10.086 -6.155 1.00 0.00 C ATOM 757 O PRO A 55 -3.284 10.550 -7.276 1.00 0.00 O ATOM 758 CB PRO A 55 -4.776 11.879 -5.336 1.00 0.00 C ATOM 759 CG PRO A 55 -4.092 13.229 -5.663 1.00 0.00 C ATOM 760 CD PRO A 55 -2.697 13.193 -5.006 1.00 0.00 C ATOM 0 HA PRO A 55 -3.954 10.201 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.326 11.503 -6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.495 11.994 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.008 13.369 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.679 14.063 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.912 13.431 -5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.619 13.919 -4.197 1.00 0.00 H new ATOM 768 N VAL A 56 -2.768 8.875 -5.957 1.00 0.00 N ATOM 769 CA VAL A 56 -2.329 8.068 -7.118 1.00 0.00 C ATOM 770 C VAL A 56 -2.796 6.621 -6.995 1.00 0.00 C ATOM 771 O VAL A 56 -2.121 5.793 -6.415 1.00 0.00 O ATOM 772 CB VAL A 56 -0.821 8.058 -7.150 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.353 7.529 -8.509 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.291 9.478 -6.940 1.00 0.00 C ATOM 0 H VAL A 56 -2.685 8.420 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.754 8.507 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.442 7.416 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.737 7.519 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.730 6.517 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.732 8.175 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.799 9.467 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.665 10.127 -7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.629 9.853 -5.974 1.00 0.00 H new ATOM 784 N MET A 57 -3.917 6.291 -7.557 1.00 0.00 N ATOM 785 CA MET A 57 -4.372 4.877 -7.480 1.00 0.00 C ATOM 786 C MET A 57 -4.988 4.452 -8.814 1.00 0.00 C ATOM 787 O MET A 57 -5.740 5.182 -9.429 1.00 0.00 O ATOM 788 CB MET A 57 -5.372 4.704 -6.332 1.00 0.00 C ATOM 789 CG MET A 57 -6.728 5.301 -6.718 1.00 0.00 C ATOM 790 SD MET A 57 -6.663 7.103 -6.563 1.00 0.00 S ATOM 791 CE MET A 57 -8.354 7.339 -5.959 1.00 0.00 C ATOM 0 H MET A 57 -4.534 6.927 -8.061 1.00 0.00 H new ATOM 0 HA MET A 57 -3.514 4.236 -7.280 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.486 3.646 -6.096 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.994 5.192 -5.434 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.982 5.023 -7.741 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.511 4.898 -6.075 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.427 8.299 -5.448 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.047 7.322 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.607 6.538 -5.264 1.00 0.00 H new ATOM 801 N VAL A 58 -4.650 3.274 -9.274 1.00 0.00 N ATOM 802 CA VAL A 58 -5.189 2.795 -10.579 1.00 0.00 C ATOM 803 C VAL A 58 -5.677 1.347 -10.443 1.00 0.00 C ATOM 804 O VAL A 58 -5.235 0.604 -9.582 1.00 0.00 O ATOM 805 CB VAL A 58 -4.099 2.839 -11.656 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.687 3.404 -12.952 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.934 3.728 -11.202 1.00 0.00 C ATOM 0 H VAL A 58 -4.023 2.624 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.015 3.446 -10.865 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.730 1.827 -11.823 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.913 3.436 -13.719 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.505 2.767 -13.288 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.062 4.412 -12.773 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.168 3.749 -11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.297 4.740 -11.023 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.508 3.328 -10.282 1.00 0.00 H new ATOM 817 N ASP A 59 -6.577 0.941 -11.300 1.00 0.00 N ATOM 818 CA ASP A 59 -7.102 -0.453 -11.249 1.00 0.00 C ATOM 819 C ASP A 59 -6.695 -1.191 -12.530 1.00 0.00 C ATOM 820 O ASP A 59 -6.892 -0.703 -13.623 1.00 0.00 O ATOM 821 CB ASP A 59 -8.631 -0.413 -11.145 1.00 0.00 C ATOM 822 CG ASP A 59 -9.214 -1.783 -11.504 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.551 -2.774 -11.247 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.314 -1.816 -12.032 1.00 0.00 O ATOM 0 H ASP A 59 -6.973 1.522 -12.039 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.692 -0.972 -10.383 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.928 -0.135 -10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.030 0.349 -11.815 1.00 0.00 H new ATOM 829 N ASN A 60 -6.121 -2.359 -12.407 1.00 0.00 N ATOM 830 CA ASN A 60 -5.701 -3.106 -13.629 1.00 0.00 C ATOM 831 C ASN A 60 -6.841 -3.993 -14.140 1.00 0.00 C ATOM 832 O ASN A 60 -6.785 -4.505 -15.240 1.00 0.00 O ATOM 833 CB ASN A 60 -4.485 -3.978 -13.305 1.00 0.00 C ATOM 834 CG ASN A 60 -3.447 -3.148 -12.549 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.712 -2.654 -11.472 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.264 -2.971 -13.073 1.00 0.00 N ATOM 0 H ASN A 60 -5.926 -2.825 -11.521 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.444 -2.385 -14.405 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.789 -4.835 -12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.051 -4.372 -14.224 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.564 -2.418 -12.578 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.040 -3.385 -13.978 1.00 0.00 H new ATOM 843 N GLY A 61 -7.878 -4.174 -13.371 1.00 0.00 N ATOM 844 CA GLY A 61 -9.003 -5.020 -13.848 1.00 0.00 C ATOM 845 C GLY A 61 -8.624 -6.500 -13.745 1.00 0.00 C ATOM 846 O GLY A 61 -9.297 -7.358 -14.281 1.00 0.00 O ATOM 0 H GLY A 61 -7.994 -3.775 -12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.895 -4.822 -13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.246 -4.769 -14.881 1.00 0.00 H new ATOM 850 N ASP A 62 -7.555 -6.810 -13.063 1.00 0.00 N ATOM 851 CA ASP A 62 -7.144 -8.238 -12.935 1.00 0.00 C ATOM 852 C ASP A 62 -7.314 -8.696 -11.484 1.00 0.00 C ATOM 853 O ASP A 62 -6.580 -9.534 -10.999 1.00 0.00 O ATOM 854 CB ASP A 62 -5.677 -8.388 -13.345 1.00 0.00 C ATOM 855 CG ASP A 62 -4.850 -7.272 -12.705 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.348 -6.646 -11.785 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.731 -7.064 -13.146 1.00 0.00 O ATOM 0 H ASP A 62 -6.950 -6.139 -12.590 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.769 -8.851 -13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.299 -9.361 -13.031 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.586 -8.346 -14.430 1.00 0.00 H new ATOM 862 N GLY A 63 -8.276 -8.154 -10.787 1.00 0.00 N ATOM 863 CA GLY A 63 -8.487 -8.564 -9.369 1.00 0.00 C ATOM 864 C GLY A 63 -7.383 -7.965 -8.490 1.00 0.00 C ATOM 865 O GLY A 63 -7.340 -8.182 -7.289 1.00 0.00 O ATOM 0 H GLY A 63 -8.923 -7.447 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.464 -8.226 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.479 -9.651 -9.289 1.00 0.00 H new ATOM 869 N THR A 64 -6.493 -7.211 -9.079 1.00 0.00 N ATOM 870 CA THR A 64 -5.394 -6.593 -8.293 1.00 0.00 C ATOM 871 C THR A 64 -5.290 -5.110 -8.653 1.00 0.00 C ATOM 872 O THR A 64 -5.543 -4.719 -9.776 1.00 0.00 O ATOM 873 CB THR A 64 -4.074 -7.285 -8.627 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.903 -7.323 -10.038 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.083 -8.710 -8.071 1.00 0.00 C ATOM 0 H THR A 64 -6.483 -6.998 -10.076 1.00 0.00 H new ATOM 0 HA THR A 64 -5.602 -6.702 -7.229 1.00 0.00 H new ATOM 0 HB THR A 64 -3.251 -6.730 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.538 -6.708 -10.461 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.140 -9.200 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.210 -8.678 -6.989 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.906 -9.269 -8.516 1.00 0.00 H new ATOM 883 N TYR A 65 -4.935 -4.278 -7.714 1.00 0.00 N ATOM 884 CA TYR A 65 -4.836 -2.823 -8.017 1.00 0.00 C ATOM 885 C TYR A 65 -3.436 -2.306 -7.699 1.00 0.00 C ATOM 886 O TYR A 65 -2.722 -2.870 -6.895 1.00 0.00 O ATOM 887 CB TYR A 65 -5.879 -2.080 -7.189 1.00 0.00 C ATOM 888 CG TYR A 65 -7.232 -2.575 -7.619 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.598 -3.904 -7.378 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.105 -1.720 -8.294 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.837 -4.375 -7.809 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.341 -2.191 -8.731 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.711 -3.518 -8.490 1.00 0.00 C ATOM 894 OH TYR A 65 -10.930 -3.980 -8.930 1.00 0.00 O ATOM 0 H TYR A 65 -4.710 -4.541 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.022 -2.655 -9.078 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.724 -2.261 -6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.797 -1.004 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.920 -4.565 -6.858 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.822 -0.694 -8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.123 -5.399 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.015 -1.530 -9.257 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.847 -4.919 -9.196 1.00 0.00 H new ATOM 904 N ASP A 66 -3.035 -1.236 -8.333 1.00 0.00 N ATOM 905 CA ASP A 66 -1.677 -0.689 -8.074 1.00 0.00 C ATOM 906 C ASP A 66 -1.788 0.787 -7.709 1.00 0.00 C ATOM 907 O ASP A 66 -2.412 1.564 -8.407 1.00 0.00 O ATOM 908 CB ASP A 66 -0.815 -0.843 -9.329 1.00 0.00 C ATOM 909 CG ASP A 66 -0.467 -2.319 -9.532 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.347 -3.068 -9.925 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.673 -2.677 -9.288 1.00 0.00 O ATOM 0 H ASP A 66 -3.589 -0.720 -9.017 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.216 -1.234 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.349 -0.462 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.097 -0.254 -9.231 1.00 0.00 H new ATOM 916 N VAL A 67 -1.189 1.187 -6.624 1.00 0.00 N ATOM 917 CA VAL A 67 -1.265 2.615 -6.223 1.00 0.00 C ATOM 918 C VAL A 67 0.171 3.154 -6.101 1.00 0.00 C ATOM 919 O VAL A 67 1.082 2.409 -5.784 1.00 0.00 O ATOM 920 CB VAL A 67 -2.024 2.713 -4.894 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.188 1.722 -4.899 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.108 2.371 -3.745 1.00 0.00 C ATOM 0 H VAL A 67 -0.651 0.587 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.800 3.213 -6.961 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.394 3.732 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.728 1.791 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.863 1.958 -5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.804 0.710 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.658 2.444 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.734 1.355 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.269 3.067 -3.729 1.00 0.00 H new ATOM 932 N GLU A 68 0.410 4.421 -6.381 1.00 0.00 N ATOM 933 CA GLU A 68 1.826 4.914 -6.300 1.00 0.00 C ATOM 934 C GLU A 68 1.931 6.424 -6.042 1.00 0.00 C ATOM 935 O GLU A 68 1.492 7.227 -6.823 1.00 0.00 O ATOM 936 CB GLU A 68 2.532 4.655 -7.630 1.00 0.00 C ATOM 937 CG GLU A 68 1.928 3.434 -8.330 1.00 0.00 C ATOM 938 CD GLU A 68 2.404 3.396 -9.783 1.00 0.00 C ATOM 939 OE1 GLU A 68 2.310 4.418 -10.444 1.00 0.00 O ATOM 940 OE2 GLU A 68 2.853 2.347 -10.213 1.00 0.00 O ATOM 0 H GLU A 68 -0.289 5.112 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 68 2.281 4.379 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.442 5.531 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.596 4.493 -7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.225 2.521 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.840 3.481 -8.293 1.00 0.00 H new ATOM 947 N PHE A 69 2.610 6.812 -5.006 1.00 0.00 N ATOM 948 CA PHE A 69 2.827 8.278 -4.751 1.00 0.00 C ATOM 949 C PHE A 69 4.322 8.491 -4.463 1.00 0.00 C ATOM 950 O PHE A 69 5.010 7.584 -4.032 1.00 0.00 O ATOM 951 CB PHE A 69 1.987 8.792 -3.567 1.00 0.00 C ATOM 952 CG PHE A 69 2.564 8.298 -2.276 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.598 6.929 -2.000 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.050 9.219 -1.344 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.120 6.483 -0.785 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.569 8.770 -0.131 1.00 0.00 C ATOM 957 CZ PHE A 69 3.600 7.396 0.145 1.00 0.00 C ATOM 0 H PHE A 69 3.029 6.186 -4.318 1.00 0.00 H new ATOM 0 HA PHE A 69 2.511 8.840 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.966 9.882 -3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.956 8.453 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.222 6.220 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.023 10.276 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.151 5.426 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.946 9.477 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.999 7.046 1.085 1.00 0.00 H new ATOM 967 N GLU A 70 4.853 9.659 -4.721 1.00 0.00 N ATOM 968 CA GLU A 70 6.312 9.860 -4.467 1.00 0.00 C ATOM 969 C GLU A 70 6.625 11.340 -4.146 1.00 0.00 C ATOM 970 O GLU A 70 6.696 12.163 -5.037 1.00 0.00 O ATOM 971 CB GLU A 70 7.084 9.415 -5.713 1.00 0.00 C ATOM 972 CG GLU A 70 6.838 10.400 -6.857 1.00 0.00 C ATOM 973 CD GLU A 70 6.638 9.631 -8.163 1.00 0.00 C ATOM 974 OE1 GLU A 70 5.708 8.843 -8.228 1.00 0.00 O ATOM 975 OE2 GLU A 70 7.415 9.845 -9.079 1.00 0.00 O ATOM 0 H GLU A 70 4.352 10.468 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 70 6.613 9.267 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.150 9.361 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.769 8.414 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.959 11.009 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.683 11.082 -6.951 1.00 0.00 H new ATOM 982 N PRO A 71 6.805 11.633 -2.877 1.00 0.00 N ATOM 983 CA PRO A 71 7.115 13.002 -2.399 1.00 0.00 C ATOM 984 C PRO A 71 8.623 13.317 -2.501 1.00 0.00 C ATOM 985 O PRO A 71 9.407 12.511 -2.963 1.00 0.00 O ATOM 986 CB PRO A 71 6.686 12.963 -0.932 1.00 0.00 C ATOM 987 CG PRO A 71 6.711 11.473 -0.504 1.00 0.00 C ATOM 988 CD PRO A 71 6.693 10.634 -1.797 1.00 0.00 C ATOM 0 HA PRO A 71 6.613 13.770 -2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.362 13.555 -0.315 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.689 13.385 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.602 11.256 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.850 11.237 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.520 9.925 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.774 10.055 -1.884 1.00 0.00 H new ATOM 996 N LYS A 72 9.025 14.493 -2.064 1.00 0.00 N ATOM 997 CA LYS A 72 10.475 14.886 -2.120 1.00 0.00 C ATOM 998 C LYS A 72 10.860 15.702 -0.872 1.00 0.00 C ATOM 999 O LYS A 72 11.697 16.580 -0.941 1.00 0.00 O ATOM 1000 CB LYS A 72 10.733 15.743 -3.356 1.00 0.00 C ATOM 1001 CG LYS A 72 9.467 16.516 -3.728 1.00 0.00 C ATOM 1002 CD LYS A 72 9.847 17.922 -4.198 1.00 0.00 C ATOM 1003 CE LYS A 72 10.083 18.821 -2.984 1.00 0.00 C ATOM 1004 NZ LYS A 72 10.911 19.991 -3.388 1.00 0.00 N ATOM 0 H LYS A 72 8.406 15.201 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 72 11.073 13.976 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.550 16.438 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.042 15.111 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.926 15.992 -4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.799 16.576 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.746 17.880 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.054 18.335 -4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.130 19.159 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.585 18.261 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.072 20.603 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.825 19.659 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.415 20.529 -4.127 1.00 0.00 H new ATOM 1018 N GLU A 73 10.272 15.435 0.267 1.00 0.00 N ATOM 1019 CA GLU A 73 10.637 16.207 1.484 1.00 0.00 C ATOM 1020 C GLU A 73 10.391 15.327 2.715 1.00 0.00 C ATOM 1021 O GLU A 73 10.468 14.119 2.647 1.00 0.00 O ATOM 1022 CB GLU A 73 9.775 17.473 1.544 1.00 0.00 C ATOM 1023 CG GLU A 73 8.299 17.083 1.670 1.00 0.00 C ATOM 1024 CD GLU A 73 7.620 17.981 2.707 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.009 17.921 3.861 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.721 18.713 2.327 1.00 0.00 O ATOM 0 H GLU A 73 9.559 14.718 0.402 1.00 0.00 H new ATOM 0 HA GLU A 73 11.687 16.497 1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.073 18.088 2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.928 18.072 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.802 17.183 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.212 16.038 1.966 1.00 0.00 H new ATOM 1033 N ALA A 74 10.068 15.916 3.831 1.00 0.00 N ATOM 1034 CA ALA A 74 9.780 15.110 5.050 1.00 0.00 C ATOM 1035 C ALA A 74 8.267 14.992 5.153 1.00 0.00 C ATOM 1036 O ALA A 74 7.560 15.980 5.122 1.00 0.00 O ATOM 1037 CB ALA A 74 10.352 15.804 6.286 1.00 0.00 C ATOM 0 H ALA A 74 9.991 16.926 3.953 1.00 0.00 H new ATOM 0 HA ALA A 74 10.239 14.123 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.136 15.206 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.431 15.912 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.898 16.789 6.393 1.00 0.00 H new ATOM 1043 N GLY A 75 7.748 13.800 5.209 1.00 0.00 N ATOM 1044 CA GLY A 75 6.270 13.669 5.234 1.00 0.00 C ATOM 1045 C GLY A 75 5.838 12.294 5.725 1.00 0.00 C ATOM 1046 O GLY A 75 6.587 11.340 5.706 1.00 0.00 O ATOM 0 H GLY A 75 8.273 12.926 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.847 14.437 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.872 13.841 4.234 1.00 0.00 H new ATOM 1050 N ASP A 76 4.611 12.194 6.130 1.00 0.00 N ATOM 1051 CA ASP A 76 4.067 10.894 6.590 1.00 0.00 C ATOM 1052 C ASP A 76 3.005 10.490 5.580 1.00 0.00 C ATOM 1053 O ASP A 76 2.475 11.316 4.863 1.00 0.00 O ATOM 1054 CB ASP A 76 3.442 11.052 7.978 1.00 0.00 C ATOM 1055 CG ASP A 76 2.383 12.154 7.937 1.00 0.00 C ATOM 1056 OD1 ASP A 76 2.751 13.309 8.075 1.00 0.00 O ATOM 1057 OD2 ASP A 76 1.220 11.824 7.768 1.00 0.00 O ATOM 0 H ASP A 76 3.950 12.970 6.163 1.00 0.00 H new ATOM 0 HA ASP A 76 4.849 10.139 6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.992 10.111 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.212 11.299 8.709 1.00 0.00 H new ATOM 1062 N TYR A 77 2.716 9.233 5.478 1.00 0.00 N ATOM 1063 CA TYR A 77 1.721 8.803 4.463 1.00 0.00 C ATOM 1064 C TYR A 77 0.487 8.239 5.122 1.00 0.00 C ATOM 1065 O TYR A 77 0.551 7.403 5.997 1.00 0.00 O ATOM 1066 CB TYR A 77 2.287 7.691 3.592 1.00 0.00 C ATOM 1067 CG TYR A 77 3.698 7.990 3.194 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.056 9.290 2.848 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.634 6.954 3.122 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.357 9.565 2.429 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.933 7.224 2.694 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.299 8.531 2.347 1.00 0.00 C ATOM 1073 OH TYR A 77 7.582 8.801 1.921 1.00 0.00 O ATOM 0 H TYR A 77 3.119 8.487 6.046 1.00 0.00 H new ATOM 0 HA TYR A 77 1.479 9.685 3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.250 6.745 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.671 7.572 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.327 10.085 2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.352 5.948 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.639 10.574 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.657 6.425 2.630 1.00 0.00 H new ATOM 0 HH TYR A 77 7.792 9.743 2.091 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.637 8.639 4.633 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.905 8.078 5.138 1.00 0.00 C ATOM 1085 C VAL A 78 -2.401 7.213 4.007 1.00 0.00 C ATOM 1086 O VAL A 78 -2.356 7.610 2.850 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.903 9.177 5.462 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.852 10.242 4.373 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.312 8.587 5.561 1.00 0.00 C ATOM 0 H VAL A 78 -0.735 9.338 3.897 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.772 7.520 6.065 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.648 9.632 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.567 11.032 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.848 10.664 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.104 9.793 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.023 9.380 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.581 8.126 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.337 7.835 6.349 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.785 6.015 4.290 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.174 5.136 3.167 1.00 0.00 C ATOM 1101 C ILE A 79 -4.638 4.720 3.259 1.00 0.00 C ATOM 1102 O ILE A 79 -5.259 4.777 4.292 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.181 3.969 3.190 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -2.529 2.906 2.171 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -2.143 3.342 4.581 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -1.389 2.768 1.166 1.00 0.00 C ATOM 0 H ILE A 79 -2.847 5.610 5.224 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.117 5.643 2.204 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.202 4.373 2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.705 1.953 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.452 3.171 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.435 2.514 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.832 4.091 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.135 2.973 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.641 2.002 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.235 3.720 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.476 2.483 1.689 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.203 4.364 2.143 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.644 3.982 2.111 1.00 0.00 C ATOM 1120 C ASN A 80 -6.897 2.960 0.990 1.00 0.00 C ATOM 1121 O ASN A 80 -6.771 3.254 -0.179 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.483 5.227 1.858 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.934 6.397 2.675 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.128 6.461 3.873 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -6.252 7.333 2.074 1.00 0.00 N ATOM 0 H ASN A 80 -4.726 4.320 1.242 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.918 3.534 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.471 5.475 0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.522 5.038 2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.882 8.118 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.089 7.280 1.069 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.267 1.766 1.359 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.560 0.693 0.363 1.00 0.00 C ATOM 1134 C LEU A 81 -8.854 0.023 0.815 1.00 0.00 C ATOM 1135 O LEU A 81 -8.942 -0.528 1.895 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.392 -0.310 0.305 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.830 -1.676 -0.224 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.549 -2.444 0.877 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.745 -1.514 -1.438 1.00 0.00 C ATOM 0 H LEU A 81 -7.382 1.481 2.332 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.675 1.097 -0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.604 0.089 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.966 -0.428 1.302 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.946 -2.234 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.860 -3.417 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.876 -2.582 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.426 -1.883 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.046 -2.497 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.630 -0.945 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.212 -0.984 -2.227 1.00 0.00 H new ATOM 1151 N THR A 82 -9.875 0.133 0.021 1.00 0.00 N ATOM 1152 CA THR A 82 -11.203 -0.424 0.421 1.00 0.00 C ATOM 1153 C THR A 82 -11.767 -1.353 -0.652 1.00 0.00 C ATOM 1154 O THR A 82 -11.749 -1.047 -1.827 1.00 0.00 O ATOM 1155 CB THR A 82 -12.159 0.754 0.610 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.910 1.733 -0.390 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.941 1.373 1.986 1.00 0.00 C ATOM 0 H THR A 82 -9.853 0.585 -0.893 1.00 0.00 H new ATOM 0 HA THR A 82 -11.088 -1.003 1.337 1.00 0.00 H new ATOM 0 HB THR A 82 -13.187 0.401 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.292 1.369 -1.058 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.623 2.213 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.131 0.625 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.913 1.725 2.068 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.298 -2.475 -0.245 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.903 -3.413 -1.249 1.00 0.00 C ATOM 1167 C LEU A 83 -14.182 -4.022 -0.677 1.00 0.00 C ATOM 1168 O LEU A 83 -14.187 -5.154 -0.255 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.923 -4.538 -1.603 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.512 -5.451 -2.706 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.200 -6.656 -2.063 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.543 -4.689 -3.555 1.00 0.00 C ATOM 0 H LEU A 83 -12.342 -2.785 0.726 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.131 -2.848 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.979 -4.111 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.704 -5.129 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.694 -5.780 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.614 -7.297 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.474 -7.219 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.003 -6.312 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.943 -5.351 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -14.355 -4.342 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.063 -3.833 -4.028 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.249 -3.258 -0.661 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.571 -3.729 -0.125 1.00 0.00 C ATOM 1186 C ASP A 84 -17.228 -2.559 0.597 1.00 0.00 C ATOM 1187 O ASP A 84 -18.429 -2.511 0.777 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.431 -4.913 0.844 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.371 -6.229 0.060 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -16.425 -6.174 -1.158 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -16.273 -7.269 0.692 1.00 0.00 O ATOM 0 H ASP A 84 -15.260 -2.299 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.176 -4.077 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.529 -4.797 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.274 -4.930 1.535 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.430 -1.619 1.033 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.974 -0.451 1.767 1.00 0.00 C ATOM 1198 C GLY A 85 -16.150 -0.223 3.042 1.00 0.00 C ATOM 1199 O GLY A 85 -16.450 0.655 3.827 1.00 0.00 O ATOM 0 H GLY A 85 -15.418 -1.616 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.941 0.437 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.020 -0.622 2.022 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.109 -0.995 3.262 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.292 -0.792 4.487 1.00 0.00 C ATOM 1205 C ASP A 86 -12.814 -0.726 4.090 1.00 0.00 C ATOM 1206 O ASP A 86 -12.463 -0.980 2.956 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.512 -1.963 5.449 1.00 0.00 C ATOM 1208 CG ASP A 86 -15.847 -1.784 6.175 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -16.715 -1.128 5.624 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.979 -2.307 7.269 1.00 0.00 O ATOM 0 H ASP A 86 -14.798 -1.748 2.648 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.585 0.135 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.508 -2.904 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.697 -2.012 6.171 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.941 -0.394 5.002 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.497 -0.325 4.649 1.00 0.00 C ATOM 1217 C ASN A 87 -9.799 -1.572 5.184 1.00 0.00 C ATOM 1218 O ASN A 87 -10.207 -2.142 6.176 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.873 0.923 5.281 1.00 0.00 C ATOM 1220 CG ASN A 87 -9.845 2.055 4.255 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -8.828 2.312 3.641 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.929 2.748 4.039 1.00 0.00 N ATOM 0 H ASN A 87 -12.165 -0.169 5.971 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.383 -0.272 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -10.447 1.226 6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.862 0.703 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.923 3.505 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.783 2.533 4.554 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.757 -2.012 4.538 1.00 0.00 N ATOM 1230 CA VAL A 88 -8.063 -3.233 5.026 1.00 0.00 C ATOM 1231 C VAL A 88 -7.395 -2.930 6.381 1.00 0.00 C ATOM 1232 O VAL A 88 -7.376 -1.801 6.828 1.00 0.00 O ATOM 1233 CB VAL A 88 -7.028 -3.669 3.982 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.948 -4.544 4.622 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.745 -4.474 2.899 1.00 0.00 C ATOM 0 H VAL A 88 -8.359 -1.584 3.702 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.774 -4.046 5.170 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.552 -2.785 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.224 -4.842 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.441 -3.981 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.408 -5.433 5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.024 -4.793 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.214 -5.350 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.509 -3.854 2.430 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.881 -3.931 7.060 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.263 -3.692 8.404 1.00 0.00 C ATOM 1247 C ASN A 89 -4.853 -3.093 8.296 1.00 0.00 C ATOM 1248 O ASN A 89 -4.082 -3.135 9.235 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.196 -5.014 9.171 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.613 -5.471 9.523 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -8.160 -6.345 8.879 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -8.235 -4.912 10.524 1.00 0.00 N ATOM 0 H ASN A 89 -6.863 -4.900 6.742 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.887 -2.972 8.933 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.697 -5.772 8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.606 -4.891 10.079 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.180 -5.208 10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.776 -4.179 11.064 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.515 -2.522 7.183 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.163 -1.901 7.038 1.00 0.00 C ATOM 1261 C GLY A 90 -3.302 -0.586 6.264 1.00 0.00 C ATOM 1262 O GLY A 90 -2.345 -0.053 5.738 1.00 0.00 O ATOM 0 H GLY A 90 -5.113 -2.454 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.726 -1.717 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.491 -2.579 6.512 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.504 -0.090 6.156 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.747 1.152 5.378 1.00 0.00 C ATOM 1268 C PHE A 91 -5.213 2.336 6.235 1.00 0.00 C ATOM 1269 O PHE A 91 -4.852 3.444 5.934 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.760 0.817 4.315 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.971 0.397 3.114 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.425 -0.884 3.034 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.756 1.306 2.096 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.660 -1.241 1.921 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.995 0.961 0.983 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.444 -0.316 0.891 1.00 0.00 C ATOM 0 H PHE A 91 -5.336 -0.499 6.580 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.805 1.484 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.423 0.018 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.388 1.679 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.593 -1.596 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.183 2.295 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.234 -2.231 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.832 1.680 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.853 -0.591 0.030 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.940 2.130 7.300 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.342 3.262 8.137 1.00 0.00 C ATOM 1288 C PRO A 92 -5.129 3.700 8.960 1.00 0.00 C ATOM 1289 O PRO A 92 -5.245 4.410 9.939 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.460 2.694 9.016 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.265 1.161 9.024 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.412 0.819 7.786 1.00 0.00 C ATOM 0 HA PRO A 92 -6.686 4.137 7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.404 3.099 10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.440 2.960 8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.767 0.839 9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.226 0.648 8.986 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.578 0.166 8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.999 0.301 7.028 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.957 3.268 8.556 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.728 3.630 9.284 1.00 0.00 C ATOM 1302 C LYS A 93 -1.972 4.704 8.516 1.00 0.00 C ATOM 1303 O LYS A 93 -2.263 5.011 7.363 1.00 0.00 O ATOM 1304 CB LYS A 93 -1.862 2.377 9.427 1.00 0.00 C ATOM 1305 CG LYS A 93 -0.744 2.628 10.443 1.00 0.00 C ATOM 1306 CD LYS A 93 -1.336 3.217 11.726 1.00 0.00 C ATOM 1307 CE LYS A 93 -0.678 2.557 12.940 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.127 3.568 13.683 1.00 0.00 N ATOM 0 H LYS A 93 -3.812 2.673 7.740 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.977 4.021 10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.475 1.535 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.434 2.108 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.225 1.696 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.006 3.312 10.024 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.175 4.295 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.414 3.055 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.440 2.132 13.593 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.040 1.734 12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.574 3.118 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.863 3.953 13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.494 4.339 14.003 1.00 0.00 H new ATOM 1322 N THR A 94 -0.999 5.271 9.154 1.00 0.00 N ATOM 1323 CA THR A 94 -0.195 6.319 8.505 1.00 0.00 C ATOM 1324 C THR A 94 1.271 5.944 8.596 1.00 0.00 C ATOM 1325 O THR A 94 1.774 5.606 9.649 1.00 0.00 O ATOM 1326 CB THR A 94 -0.425 7.645 9.222 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.822 7.885 9.327 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.236 8.767 8.429 1.00 0.00 C ATOM 0 H THR A 94 -0.725 5.048 10.111 1.00 0.00 H new ATOM 0 HA THR A 94 -0.486 6.416 7.459 1.00 0.00 H new ATOM 0 HB THR A 94 0.009 7.607 10.221 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.974 8.736 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.074 9.717 8.938 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.306 8.575 8.350 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.199 8.812 7.430 1.00 0.00 H new ATOM 1336 N VAL A 95 1.970 6.012 7.507 1.00 0.00 N ATOM 1337 CA VAL A 95 3.415 5.668 7.561 1.00 0.00 C ATOM 1338 C VAL A 95 4.201 6.974 7.666 1.00 0.00 C ATOM 1339 O VAL A 95 3.702 8.027 7.326 1.00 0.00 O ATOM 1340 CB VAL A 95 3.818 4.850 6.326 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.318 4.932 6.083 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.461 3.388 6.560 1.00 0.00 C ATOM 0 H VAL A 95 1.613 6.287 6.592 1.00 0.00 H new ATOM 0 HA VAL A 95 3.634 5.046 8.429 1.00 0.00 H new ATOM 0 HB VAL A 95 3.289 5.254 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.577 4.344 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.604 5.971 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.849 4.540 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.744 2.800 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.995 3.019 7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.387 3.298 6.726 1.00 0.00 H new ATOM 1352 N THR A 96 5.391 6.943 8.196 1.00 0.00 N ATOM 1353 CA THR A 96 6.125 8.227 8.375 1.00 0.00 C ATOM 1354 C THR A 96 7.472 8.260 7.647 1.00 0.00 C ATOM 1355 O THR A 96 8.240 7.318 7.661 1.00 0.00 O ATOM 1356 CB THR A 96 6.367 8.446 9.870 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.198 8.087 10.592 1.00 0.00 O ATOM 1358 CG2 THR A 96 6.697 9.917 10.128 1.00 0.00 C ATOM 0 H THR A 96 5.880 6.104 8.507 1.00 0.00 H new ATOM 0 HA THR A 96 5.509 9.016 7.944 1.00 0.00 H new ATOM 0 HB THR A 96 7.203 7.828 10.198 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.350 8.224 11.550 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.869 10.070 11.193 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.594 10.191 9.573 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.864 10.539 9.802 1.00 0.00 H new ATOM 1366 N VAL A 97 7.767 9.393 7.068 1.00 0.00 N ATOM 1367 CA VAL A 97 9.071 9.610 6.381 1.00 0.00 C ATOM 1368 C VAL A 97 9.664 10.905 6.945 1.00 0.00 C ATOM 1369 O VAL A 97 8.952 11.852 7.230 1.00 0.00 O ATOM 1370 CB VAL A 97 8.879 9.717 4.861 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.029 10.498 4.254 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.917 8.327 4.233 1.00 0.00 C ATOM 0 H VAL A 97 7.141 10.198 7.043 1.00 0.00 H new ATOM 0 HA VAL A 97 9.742 8.769 6.556 1.00 0.00 H new ATOM 0 HB VAL A 97 7.924 10.207 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.889 10.572 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.057 11.498 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.968 9.986 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.780 8.411 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.880 7.860 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.118 7.716 4.654 1.00 0.00 H new ATOM 1382 N LYS A 98 10.952 10.946 7.125 1.00 0.00 N ATOM 1383 CA LYS A 98 11.592 12.158 7.713 1.00 0.00 C ATOM 1384 C LYS A 98 12.090 13.067 6.581 1.00 0.00 C ATOM 1385 O LYS A 98 11.758 12.832 5.437 1.00 0.00 O ATOM 1386 CB LYS A 98 12.762 11.703 8.601 1.00 0.00 C ATOM 1387 CG LYS A 98 12.562 10.246 9.038 1.00 0.00 C ATOM 1388 CD LYS A 98 13.252 10.014 10.384 1.00 0.00 C ATOM 1389 CE LYS A 98 12.939 8.602 10.886 1.00 0.00 C ATOM 1390 NZ LYS A 98 11.484 8.492 11.190 1.00 0.00 N ATOM 0 H LYS A 98 11.595 10.190 6.890 1.00 0.00 H new ATOM 0 HA LYS A 98 10.878 12.720 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.701 11.801 8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.834 12.346 9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.498 10.023 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.972 9.571 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.329 10.143 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.912 10.752 11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.220 7.866 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.525 8.384 11.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.325 7.698 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.154 9.374 11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.957 8.326 10.309 1.00 0.00 H new ATOM 1404 N PRO A 99 12.848 14.098 6.908 1.00 0.00 N ATOM 1405 CA PRO A 99 13.335 15.038 5.887 1.00 0.00 C ATOM 1406 C PRO A 99 14.369 14.362 4.993 1.00 0.00 C ATOM 1407 O PRO A 99 15.557 14.396 5.241 1.00 0.00 O ATOM 1408 CB PRO A 99 13.912 16.204 6.694 1.00 0.00 C ATOM 1409 CG PRO A 99 14.209 15.651 8.102 1.00 0.00 C ATOM 1410 CD PRO A 99 13.310 14.412 8.283 1.00 0.00 C ATOM 0 HA PRO A 99 12.558 15.383 5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.819 16.588 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.204 17.031 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.261 15.385 8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.997 16.399 8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.862 13.579 8.718 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.472 14.621 8.948 1.00 0.00 H new ATOM 1418 N ALA A 100 13.891 13.745 3.949 1.00 0.00 N ATOM 1419 CA ALA A 100 14.781 13.039 2.992 1.00 0.00 C ATOM 1420 C ALA A 100 16.083 13.823 2.795 1.00 0.00 C ATOM 1421 O ALA A 100 17.158 13.283 2.969 1.00 0.00 O ATOM 1422 CB ALA A 100 14.054 12.908 1.657 1.00 0.00 C ATOM 0 H ALA A 100 12.899 13.701 3.716 1.00 0.00 H new ATOM 0 HA ALA A 100 15.028 12.053 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.695 12.391 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.135 12.339 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.812 13.900 1.276 1.00 0.00 H new TER 1428 ALA A 100