USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 47 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc=0.000997 X(o=0.001,f=0.21) USER MOD Set 2.1: A 16 SER OG : rot -149:sc= 0.0222 USER MOD Set 2.2: A 37 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.66) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= -0.24 (180deg=-0.364) USER MOD Single : A 17 HIS : no HE2:sc= -0.901 K(o=-0.9,f=-2.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.13) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 24:sc= 0.161 USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00263) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 75 SER OG : rot 180:sc= -0.175 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.697 2.060 -48.073 1.00 0.00 N ATOM 2 CA GLY A 1 -0.349 2.330 -47.104 1.00 0.00 C ATOM 3 C GLY A 1 -1.242 1.128 -46.865 1.00 0.00 C ATOM 4 O GLY A 1 -2.023 0.743 -47.735 1.00 0.00 O ATOM 0 H1 GLY A 1 1.280 2.912 -48.201 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.294 1.280 -47.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.268 1.794 -48.982 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.104 2.636 -46.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.956 3.166 -47.452 1.00 0.00 H new ATOM 8 N SER A 2 -1.125 0.533 -45.682 1.00 0.00 N ATOM 9 CA SER A 2 -1.924 -0.636 -45.333 1.00 0.00 C ATOM 10 C SER A 2 -1.889 -0.888 -43.828 1.00 0.00 C ATOM 11 O SER A 2 -0.829 -0.834 -43.203 1.00 0.00 O ATOM 12 CB SER A 2 -1.415 -1.870 -46.080 1.00 0.00 C ATOM 13 OG SER A 2 -0.194 -2.333 -45.528 1.00 0.00 O ATOM 0 H SER A 2 -0.485 0.841 -44.950 1.00 0.00 H new ATOM 0 HA SER A 2 -2.955 -0.442 -45.628 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.163 -2.662 -46.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.273 -1.628 -47.133 1.00 0.00 H new ATOM 0 HG SER A 2 0.109 -3.123 -46.022 1.00 0.00 H new ATOM 19 N SER A 3 -3.055 -1.162 -43.253 1.00 0.00 N ATOM 20 CA SER A 3 -3.160 -1.419 -41.822 1.00 0.00 C ATOM 21 C SER A 3 -4.465 -2.137 -41.492 1.00 0.00 C ATOM 22 O SER A 3 -5.307 -2.350 -42.364 1.00 0.00 O ATOM 23 CB SER A 3 -3.075 -0.107 -41.039 1.00 0.00 C ATOM 24 OG SER A 3 -4.215 0.701 -41.274 1.00 0.00 O ATOM 0 H SER A 3 -3.941 -1.212 -43.756 1.00 0.00 H new ATOM 0 HA SER A 3 -2.329 -2.062 -41.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.990 -0.320 -39.973 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.175 0.435 -41.328 1.00 0.00 H new ATOM 0 HG SER A 3 -4.138 1.533 -40.761 1.00 0.00 H new ATOM 30 N GLY A 4 -4.626 -2.509 -40.226 1.00 0.00 N ATOM 31 CA GLY A 4 -5.830 -3.199 -39.803 1.00 0.00 C ATOM 32 C GLY A 4 -5.553 -4.260 -38.756 1.00 0.00 C ATOM 33 O GLY A 4 -5.132 -5.369 -39.083 1.00 0.00 O ATOM 0 H GLY A 4 -3.944 -2.345 -39.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.539 -2.474 -39.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.303 -3.662 -40.669 1.00 0.00 H new ATOM 37 N SER A 5 -5.788 -3.918 -37.493 1.00 0.00 N ATOM 38 CA SER A 5 -5.555 -4.847 -36.393 1.00 0.00 C ATOM 39 C SER A 5 -6.103 -4.288 -35.084 1.00 0.00 C ATOM 40 O SER A 5 -5.766 -3.174 -34.683 1.00 0.00 O ATOM 41 CB SER A 5 -4.060 -5.138 -36.251 1.00 0.00 C ATOM 42 OG SER A 5 -3.780 -5.781 -35.020 1.00 0.00 O ATOM 0 H SER A 5 -6.140 -3.004 -37.206 1.00 0.00 H new ATOM 0 HA SER A 5 -6.079 -5.776 -36.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.729 -5.767 -37.077 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.497 -4.207 -36.314 1.00 0.00 H new ATOM 0 HG SER A 5 -2.818 -5.957 -34.954 1.00 0.00 H new ATOM 48 N SER A 6 -6.949 -5.070 -34.422 1.00 0.00 N ATOM 49 CA SER A 6 -7.548 -4.652 -33.159 1.00 0.00 C ATOM 50 C SER A 6 -7.476 -5.773 -32.127 1.00 0.00 C ATOM 51 O SER A 6 -7.475 -6.953 -32.475 1.00 0.00 O ATOM 52 CB SER A 6 -9.004 -4.234 -33.374 1.00 0.00 C ATOM 53 OG SER A 6 -9.469 -3.437 -32.299 1.00 0.00 O ATOM 0 H SER A 6 -7.235 -5.996 -34.739 1.00 0.00 H new ATOM 0 HA SER A 6 -6.984 -3.798 -32.783 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.092 -3.678 -34.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.630 -5.121 -33.471 1.00 0.00 H new ATOM 0 HG SER A 6 -10.401 -3.181 -32.461 1.00 0.00 H new ATOM 59 N GLY A 7 -7.415 -5.394 -30.854 1.00 0.00 N ATOM 60 CA GLY A 7 -7.343 -6.378 -29.790 1.00 0.00 C ATOM 61 C GLY A 7 -6.817 -5.793 -28.494 1.00 0.00 C ATOM 62 O GLY A 7 -5.612 -5.811 -28.240 1.00 0.00 O ATOM 0 H GLY A 7 -7.414 -4.423 -30.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.334 -6.798 -29.620 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.698 -7.200 -30.102 1.00 0.00 H new ATOM 66 N LYS A 8 -7.721 -5.272 -27.672 1.00 0.00 N ATOM 67 CA LYS A 8 -7.342 -4.678 -26.395 1.00 0.00 C ATOM 68 C LYS A 8 -7.788 -5.558 -25.232 1.00 0.00 C ATOM 69 O LYS A 8 -8.853 -6.175 -25.262 1.00 0.00 O ATOM 70 CB LYS A 8 -7.955 -3.282 -26.257 1.00 0.00 C ATOM 71 CG LYS A 8 -7.135 -2.189 -26.920 1.00 0.00 C ATOM 72 CD LYS A 8 -7.413 -2.112 -28.412 1.00 0.00 C ATOM 73 CE LYS A 8 -6.388 -1.244 -29.126 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.747 0.200 -29.068 1.00 0.00 N ATOM 0 H LYS A 8 -8.722 -5.249 -27.867 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.255 -4.595 -26.369 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.955 -3.289 -26.692 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.069 -3.048 -25.199 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.363 -1.229 -26.456 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.074 -2.378 -26.756 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.401 -3.115 -28.838 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.412 -1.708 -28.577 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.408 -1.393 -28.673 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.309 -1.557 -30.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.024 0.758 -29.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.671 0.347 -29.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.797 0.506 -28.075 1.00 0.00 H new ATOM 88 N PRO A 9 -6.956 -5.618 -24.181 1.00 0.00 N ATOM 89 CA PRO A 9 -7.246 -6.418 -22.988 1.00 0.00 C ATOM 90 C PRO A 9 -8.396 -5.843 -22.169 1.00 0.00 C ATOM 91 O PRO A 9 -8.702 -4.654 -22.260 1.00 0.00 O ATOM 92 CB PRO A 9 -5.939 -6.354 -22.193 1.00 0.00 C ATOM 93 CG PRO A 9 -5.289 -5.088 -22.634 1.00 0.00 C ATOM 94 CD PRO A 9 -5.670 -4.908 -24.077 1.00 0.00 C ATOM 0 HA PRO A 9 -7.558 -7.431 -23.242 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.128 -6.349 -21.120 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.307 -7.217 -22.401 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.629 -4.245 -22.033 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.206 -5.145 -22.520 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.770 -3.854 -24.338 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.921 -5.332 -24.746 1.00 0.00 H new ATOM 102 N ILE A 10 -9.030 -6.694 -21.369 1.00 0.00 N ATOM 103 CA ILE A 10 -10.146 -6.269 -20.534 1.00 0.00 C ATOM 104 C ILE A 10 -9.777 -6.321 -19.055 1.00 0.00 C ATOM 105 O ILE A 10 -9.287 -7.336 -18.561 1.00 0.00 O ATOM 106 CB ILE A 10 -11.392 -7.144 -20.770 1.00 0.00 C ATOM 107 CG1 ILE A 10 -12.526 -6.718 -19.836 1.00 0.00 C ATOM 108 CG2 ILE A 10 -11.054 -8.613 -20.566 1.00 0.00 C ATOM 109 CD1 ILE A 10 -13.878 -7.264 -20.238 1.00 0.00 C ATOM 0 H ILE A 10 -8.790 -7.681 -21.282 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.375 -5.241 -20.814 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.724 -7.007 -21.799 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.296 -7.050 -18.824 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.576 -5.629 -19.811 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.944 -9.218 -20.736 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.275 -8.908 -21.269 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.700 -8.767 -19.547 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.634 -6.921 -19.531 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.130 -6.911 -21.238 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.846 -8.354 -20.235 1.00 0.00 H new ATOM 121 N LYS A 11 -10.016 -5.218 -18.353 1.00 0.00 N ATOM 122 CA LYS A 11 -9.711 -5.137 -16.929 1.00 0.00 C ATOM 123 C LYS A 11 -10.841 -5.734 -16.096 1.00 0.00 C ATOM 124 O LYS A 11 -11.722 -5.015 -15.622 1.00 0.00 O ATOM 125 CB LYS A 11 -9.476 -3.681 -16.520 1.00 0.00 C ATOM 126 CG LYS A 11 -8.847 -3.530 -15.145 1.00 0.00 C ATOM 127 CD LYS A 11 -8.689 -2.068 -14.762 1.00 0.00 C ATOM 128 CE LYS A 11 -7.549 -1.412 -15.524 1.00 0.00 C ATOM 129 NZ LYS A 11 -6.227 -1.988 -15.149 1.00 0.00 N ATOM 0 H LYS A 11 -10.420 -4.368 -18.747 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.804 -5.712 -16.743 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.833 -3.204 -17.259 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.428 -3.150 -16.535 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.465 -4.037 -14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.872 -4.017 -15.134 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.618 -1.535 -14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.504 -1.989 -13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.709 -1.537 -16.595 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.548 -0.340 -15.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.469 -1.448 -15.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.107 -1.938 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.181 -2.981 -15.455 1.00 0.00 H new ATOM 143 N ILE A 12 -10.808 -7.050 -15.920 1.00 0.00 N ATOM 144 CA ILE A 12 -11.828 -7.742 -15.142 1.00 0.00 C ATOM 145 C ILE A 12 -11.515 -7.684 -13.651 1.00 0.00 C ATOM 146 O ILE A 12 -10.645 -8.403 -13.160 1.00 0.00 O ATOM 147 CB ILE A 12 -11.961 -9.215 -15.570 1.00 0.00 C ATOM 148 CG1 ILE A 12 -12.274 -9.308 -17.065 1.00 0.00 C ATOM 149 CG2 ILE A 12 -13.040 -9.910 -14.753 1.00 0.00 C ATOM 150 CD1 ILE A 12 -11.869 -10.627 -17.686 1.00 0.00 C ATOM 0 H ILE A 12 -10.086 -7.659 -16.306 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.771 -7.231 -15.334 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.012 -9.719 -15.384 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.343 -9.159 -17.214 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.763 -8.498 -17.586 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.121 -10.950 -15.068 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.778 -9.870 -13.696 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -13.995 -9.408 -14.909 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.121 -10.622 -18.747 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.795 -10.770 -17.569 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.399 -11.440 -17.191 1.00 0.00 H new ATOM 162 N ARG A 13 -12.232 -6.824 -12.934 1.00 0.00 N ATOM 163 CA ARG A 13 -12.031 -6.673 -11.498 1.00 0.00 C ATOM 164 C ARG A 13 -13.221 -7.230 -10.721 1.00 0.00 C ATOM 165 O ARG A 13 -14.373 -7.027 -11.101 1.00 0.00 O ATOM 166 CB ARG A 13 -11.821 -5.200 -11.143 1.00 0.00 C ATOM 167 CG ARG A 13 -10.545 -4.610 -11.721 1.00 0.00 C ATOM 168 CD ARG A 13 -9.310 -5.176 -11.038 1.00 0.00 C ATOM 169 NE ARG A 13 -8.115 -5.035 -11.864 1.00 0.00 N ATOM 170 CZ ARG A 13 -7.309 -3.980 -11.817 1.00 0.00 C ATOM 171 NH1 ARG A 13 -7.570 -2.979 -10.987 1.00 0.00 N ATOM 172 NH2 ARG A 13 -6.240 -3.924 -12.600 1.00 0.00 N ATOM 0 H ARG A 13 -12.957 -6.222 -13.324 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.141 -7.237 -11.220 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.673 -4.623 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.801 -5.096 -10.058 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.498 -4.818 -12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.560 -3.526 -11.608 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.156 -4.666 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.472 -6.230 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.886 -5.788 -12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.391 -3.018 -10.383 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.950 -2.170 -10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.036 -4.692 -13.240 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.622 -3.113 -12.563 1.00 0.00 H new ATOM 186 N GLY A 14 -12.932 -7.934 -9.630 1.00 0.00 N ATOM 187 CA GLY A 14 -13.988 -8.509 -8.818 1.00 0.00 C ATOM 188 C GLY A 14 -13.462 -9.128 -7.538 1.00 0.00 C ATOM 189 O GLY A 14 -13.725 -8.645 -6.436 1.00 0.00 O ATOM 0 H GLY A 14 -11.986 -8.116 -9.295 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.715 -7.735 -8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.514 -9.269 -9.396 1.00 0.00 H new ATOM 193 N PRO A 15 -12.702 -10.225 -7.675 1.00 0.00 N ATOM 194 CA PRO A 15 -12.123 -10.935 -6.530 1.00 0.00 C ATOM 195 C PRO A 15 -11.018 -10.134 -5.850 1.00 0.00 C ATOM 196 O PRO A 15 -10.032 -9.756 -6.483 1.00 0.00 O ATOM 197 CB PRO A 15 -11.552 -12.210 -7.156 1.00 0.00 C ATOM 198 CG PRO A 15 -11.285 -11.848 -8.576 1.00 0.00 C ATOM 199 CD PRO A 15 -12.348 -10.855 -8.958 1.00 0.00 C ATOM 0 HA PRO A 15 -12.861 -11.120 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.640 -12.525 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.259 -13.037 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.290 -11.417 -8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.325 -12.729 -9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.976 -10.124 -9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.208 -11.343 -9.417 1.00 0.00 H new ATOM 207 N SER A 16 -11.189 -9.880 -4.556 1.00 0.00 N ATOM 208 CA SER A 16 -10.207 -9.121 -3.791 1.00 0.00 C ATOM 209 C SER A 16 -8.858 -9.833 -3.779 1.00 0.00 C ATOM 210 O SER A 16 -8.780 -11.035 -3.519 1.00 0.00 O ATOM 211 CB SER A 16 -10.698 -8.911 -2.357 1.00 0.00 C ATOM 212 OG SER A 16 -11.974 -8.294 -2.340 1.00 0.00 O ATOM 0 H SER A 16 -11.998 -10.189 -4.016 1.00 0.00 H new ATOM 0 HA SER A 16 -10.081 -8.150 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.748 -9.870 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.985 -8.293 -1.812 1.00 0.00 H new ATOM 0 HG SER A 16 -12.059 -7.741 -1.535 1.00 0.00 H new ATOM 218 N HIS A 17 -7.797 -9.084 -4.063 1.00 0.00 N ATOM 219 CA HIS A 17 -6.450 -9.643 -4.086 1.00 0.00 C ATOM 220 C HIS A 17 -5.617 -9.100 -2.929 1.00 0.00 C ATOM 221 O HIS A 17 -5.671 -7.910 -2.617 1.00 0.00 O ATOM 222 CB HIS A 17 -5.766 -9.326 -5.416 1.00 0.00 C ATOM 223 CG HIS A 17 -6.679 -9.426 -6.598 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.099 -8.328 -7.320 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.253 -10.502 -7.186 1.00 0.00 C ATOM 226 CE1 HIS A 17 -7.892 -8.724 -8.299 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.002 -10.039 -8.240 1.00 0.00 N ATOM 0 H HIS A 17 -7.844 -8.089 -4.280 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.530 -10.725 -3.977 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.352 -8.319 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.928 -10.009 -5.556 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -6.838 -7.361 -7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.142 -11.533 -6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.369 -8.082 -9.024 1.00 0.00 H new ATOM 236 N CYS A 18 -4.848 -9.979 -2.295 1.00 0.00 N ATOM 237 CA CYS A 18 -4.005 -9.589 -1.172 1.00 0.00 C ATOM 238 C CYS A 18 -3.167 -8.362 -1.522 1.00 0.00 C ATOM 239 O CYS A 18 -2.508 -8.323 -2.560 1.00 0.00 O ATOM 240 CB CYS A 18 -3.090 -10.746 -0.768 1.00 0.00 C ATOM 241 SG CYS A 18 -2.045 -10.397 0.683 1.00 0.00 S ATOM 0 H CYS A 18 -4.792 -10.967 -2.541 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.654 -9.338 -0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.702 -11.623 -0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.448 -10.999 -1.612 1.00 0.00 H new ATOM 246 N ALA A 19 -3.198 -7.362 -0.647 1.00 0.00 N ATOM 247 CA ALA A 19 -2.440 -6.135 -0.861 1.00 0.00 C ATOM 248 C ALA A 19 -0.988 -6.305 -0.428 1.00 0.00 C ATOM 249 O ALA A 19 -0.297 -5.327 -0.145 1.00 0.00 O ATOM 250 CB ALA A 19 -3.085 -4.979 -0.112 1.00 0.00 C ATOM 0 H ALA A 19 -3.740 -7.378 0.217 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.450 -5.912 -1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.509 -4.069 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.104 -4.835 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.106 -5.203 0.955 1.00 0.00 H new ATOM 256 N GLY A 20 -0.532 -7.552 -0.378 1.00 0.00 N ATOM 257 CA GLY A 20 0.836 -7.826 0.023 1.00 0.00 C ATOM 258 C GLY A 20 1.544 -8.763 -0.935 1.00 0.00 C ATOM 259 O GLY A 20 2.690 -8.523 -1.318 1.00 0.00 O ATOM 0 H GLY A 20 -1.085 -8.378 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.388 -6.888 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.838 -8.263 1.022 1.00 0.00 H new ATOM 263 N CYS A 21 0.863 -9.836 -1.324 1.00 0.00 N ATOM 264 CA CYS A 21 1.434 -10.814 -2.241 1.00 0.00 C ATOM 265 C CYS A 21 0.694 -10.804 -3.576 1.00 0.00 C ATOM 266 O CYS A 21 1.111 -11.455 -4.535 1.00 0.00 O ATOM 267 CB CYS A 21 1.379 -12.214 -1.626 1.00 0.00 C ATOM 268 SG CYS A 21 -0.309 -12.834 -1.337 1.00 0.00 S ATOM 0 H CYS A 21 -0.086 -10.050 -1.018 1.00 0.00 H new ATOM 0 HA CYS A 21 2.475 -10.543 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.902 -12.909 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.918 -12.204 -0.679 1.00 0.00 H new ATOM 273 N LYS A 22 -0.406 -10.061 -3.631 1.00 0.00 N ATOM 274 CA LYS A 22 -1.204 -9.964 -4.847 1.00 0.00 C ATOM 275 C LYS A 22 -1.764 -11.327 -5.241 1.00 0.00 C ATOM 276 O LYS A 22 -1.654 -11.743 -6.394 1.00 0.00 O ATOM 277 CB LYS A 22 -0.360 -9.397 -5.991 1.00 0.00 C ATOM 278 CG LYS A 22 -0.078 -7.911 -5.861 1.00 0.00 C ATOM 279 CD LYS A 22 -1.334 -7.083 -6.078 1.00 0.00 C ATOM 280 CE LYS A 22 -0.998 -5.643 -6.434 1.00 0.00 C ATOM 281 NZ LYS A 22 -0.717 -4.824 -5.223 1.00 0.00 N ATOM 0 H LYS A 22 -0.765 -9.517 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.039 -9.291 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.587 -9.935 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.874 -9.579 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.330 -7.702 -4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.681 -7.619 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.930 -7.526 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.945 -7.103 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.131 -5.625 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.828 -5.202 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.492 -3.849 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.553 -4.820 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.091 -5.230 -4.709 1.00 0.00 H new ATOM 295 N GLU A 23 -2.367 -12.015 -4.277 1.00 0.00 N ATOM 296 CA GLU A 23 -2.945 -13.331 -4.525 1.00 0.00 C ATOM 297 C GLU A 23 -4.405 -13.375 -4.085 1.00 0.00 C ATOM 298 O GLU A 23 -4.739 -12.986 -2.967 1.00 0.00 O ATOM 299 CB GLU A 23 -2.147 -14.410 -3.790 1.00 0.00 C ATOM 300 CG GLU A 23 -0.743 -14.607 -4.336 1.00 0.00 C ATOM 301 CD GLU A 23 -0.733 -15.315 -5.677 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.003 -16.534 -5.706 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.455 -14.651 -6.697 1.00 0.00 O ATOM 0 H GLU A 23 -2.468 -11.684 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.900 -13.523 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.083 -14.147 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.687 -15.355 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.257 -13.637 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.156 -15.183 -3.621 1.00 0.00 H new ATOM 310 N GLU A 24 -5.271 -13.852 -4.975 1.00 0.00 N ATOM 311 CA GLU A 24 -6.696 -13.946 -4.680 1.00 0.00 C ATOM 312 C GLU A 24 -6.926 -14.546 -3.296 1.00 0.00 C ATOM 313 O GLU A 24 -6.442 -15.636 -2.992 1.00 0.00 O ATOM 314 CB GLU A 24 -7.404 -14.792 -5.739 1.00 0.00 C ATOM 315 CG GLU A 24 -8.912 -14.851 -5.563 1.00 0.00 C ATOM 316 CD GLU A 24 -9.643 -15.107 -6.866 1.00 0.00 C ATOM 317 OE1 GLU A 24 -9.168 -14.624 -7.916 1.00 0.00 O ATOM 318 OE2 GLU A 24 -10.688 -15.790 -6.838 1.00 0.00 O ATOM 0 H GLU A 24 -5.010 -14.179 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.111 -12.938 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.177 -14.388 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.003 -15.805 -5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.160 -15.638 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.261 -13.912 -5.134 1.00 0.00 H new ATOM 325 N ILE A 25 -7.667 -13.825 -2.461 1.00 0.00 N ATOM 326 CA ILE A 25 -7.962 -14.286 -1.110 1.00 0.00 C ATOM 327 C ILE A 25 -9.264 -15.079 -1.072 1.00 0.00 C ATOM 328 O ILE A 25 -10.335 -14.551 -1.371 1.00 0.00 O ATOM 329 CB ILE A 25 -8.062 -13.109 -0.123 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.728 -12.364 -0.045 1.00 0.00 C ATOM 331 CG2 ILE A 25 -8.478 -13.605 1.254 1.00 0.00 C ATOM 332 CD1 ILE A 25 -6.823 -11.024 0.648 1.00 0.00 C ATOM 0 H ILE A 25 -8.074 -12.920 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.137 -14.932 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.823 -12.417 -0.484 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.004 -12.986 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.345 -12.215 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.544 -12.761 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.450 -14.094 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.739 -14.316 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.840 -10.553 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.522 -10.384 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.176 -11.167 1.669 1.00 0.00 H new ATOM 344 N LYS A 26 -9.165 -16.351 -0.699 1.00 0.00 N ATOM 345 CA LYS A 26 -10.335 -17.218 -0.617 1.00 0.00 C ATOM 346 C LYS A 26 -11.370 -16.646 0.346 1.00 0.00 C ATOM 347 O LYS A 26 -11.029 -15.920 1.280 1.00 0.00 O ATOM 348 CB LYS A 26 -9.924 -18.622 -0.167 1.00 0.00 C ATOM 349 CG LYS A 26 -10.964 -19.686 -0.471 1.00 0.00 C ATOM 350 CD LYS A 26 -10.450 -21.078 -0.141 1.00 0.00 C ATOM 351 CE LYS A 26 -10.736 -21.449 1.306 1.00 0.00 C ATOM 352 NZ LYS A 26 -12.111 -21.993 1.477 1.00 0.00 N ATOM 0 H LYS A 26 -8.286 -16.804 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.782 -17.278 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.987 -18.891 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.732 -18.609 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.869 -19.486 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.237 -19.638 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.918 -21.806 -0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.376 -21.124 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.009 -22.188 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.612 -20.569 1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.267 -22.234 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.806 -21.279 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.221 -22.847 0.894 1.00 0.00 H new ATOM 366 N HIS A 27 -12.636 -16.979 0.113 1.00 0.00 N ATOM 367 CA HIS A 27 -13.721 -16.500 0.962 1.00 0.00 C ATOM 368 C HIS A 27 -13.645 -17.131 2.349 1.00 0.00 C ATOM 369 O HIS A 27 -14.138 -18.237 2.566 1.00 0.00 O ATOM 370 CB HIS A 27 -15.074 -16.810 0.321 1.00 0.00 C ATOM 371 CG HIS A 27 -16.222 -16.105 0.974 1.00 0.00 C ATOM 372 ND1 HIS A 27 -16.334 -14.731 1.019 1.00 0.00 N ATOM 373 CD2 HIS A 27 -17.314 -16.591 1.609 1.00 0.00 C ATOM 374 CE1 HIS A 27 -17.444 -14.403 1.656 1.00 0.00 C ATOM 375 NE2 HIS A 27 -18.058 -15.513 2.023 1.00 0.00 N ATOM 0 H HIS A 27 -12.935 -17.578 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 27 -13.617 -15.420 1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.040 -16.532 -0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.248 -17.885 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -17.555 -17.633 1.762 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -17.790 -13.398 1.845 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -18.941 -15.562 2.531 1.00 0.00 H new ATOM 384 N GLY A 28 -13.023 -16.420 3.285 1.00 0.00 N ATOM 385 CA GLY A 28 -12.893 -16.928 4.638 1.00 0.00 C ATOM 386 C GLY A 28 -11.646 -16.417 5.332 1.00 0.00 C ATOM 387 O GLY A 28 -11.717 -15.511 6.161 1.00 0.00 O ATOM 0 H GLY A 28 -12.607 -15.502 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.771 -16.640 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.871 -18.017 4.613 1.00 0.00 H new ATOM 391 N GLN A 29 -10.501 -17.000 4.992 1.00 0.00 N ATOM 392 CA GLN A 29 -9.233 -16.599 5.591 1.00 0.00 C ATOM 393 C GLN A 29 -8.765 -15.261 5.029 1.00 0.00 C ATOM 394 O GLN A 29 -8.171 -15.202 3.952 1.00 0.00 O ATOM 395 CB GLN A 29 -8.168 -17.670 5.346 1.00 0.00 C ATOM 396 CG GLN A 29 -8.546 -19.039 5.887 1.00 0.00 C ATOM 397 CD GLN A 29 -7.858 -20.169 5.147 1.00 0.00 C ATOM 398 OE1 GLN A 29 -8.318 -20.608 4.093 1.00 0.00 O ATOM 399 NE2 GLN A 29 -6.748 -20.647 5.697 1.00 0.00 N ATOM 0 H GLN A 29 -10.425 -17.751 4.306 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.386 -16.488 6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.985 -17.750 4.274 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.233 -17.352 5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.287 -19.092 6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.626 -19.168 5.816 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.402 -20.253 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.241 -21.408 5.244 1.00 0.00 H new ATOM 408 N SER A 30 -9.037 -14.188 5.765 1.00 0.00 N ATOM 409 CA SER A 30 -8.647 -12.849 5.338 1.00 0.00 C ATOM 410 C SER A 30 -8.457 -11.930 6.540 1.00 0.00 C ATOM 411 O SER A 30 -8.865 -12.254 7.656 1.00 0.00 O ATOM 412 CB SER A 30 -9.701 -12.265 4.396 1.00 0.00 C ATOM 413 OG SER A 30 -10.983 -12.270 4.998 1.00 0.00 O ATOM 0 H SER A 30 -9.526 -14.220 6.660 1.00 0.00 H new ATOM 0 HA SER A 30 -7.698 -12.925 4.807 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.427 -11.245 4.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.728 -12.843 3.472 1.00 0.00 H new ATOM 0 HG SER A 30 -11.638 -11.890 4.376 1.00 0.00 H new ATOM 419 N LEU A 31 -7.835 -10.780 6.305 1.00 0.00 N ATOM 420 CA LEU A 31 -7.589 -9.811 7.367 1.00 0.00 C ATOM 421 C LEU A 31 -7.914 -8.396 6.899 1.00 0.00 C ATOM 422 O LEU A 31 -7.319 -7.894 5.945 1.00 0.00 O ATOM 423 CB LEU A 31 -6.132 -9.886 7.827 1.00 0.00 C ATOM 424 CG LEU A 31 -5.852 -9.405 9.251 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.441 -9.783 9.674 1.00 0.00 C ATOM 426 CD2 LEU A 31 -6.058 -7.901 9.356 1.00 0.00 C ATOM 0 H LEU A 31 -7.492 -10.496 5.388 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.241 -10.056 8.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.798 -10.920 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.524 -9.297 7.140 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.555 -9.895 9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.260 -9.433 10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.328 -10.867 9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.722 -9.321 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.854 -7.576 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.380 -7.392 8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.088 -7.656 9.096 1.00 0.00 H new ATOM 438 N LEU A 32 -8.860 -7.757 7.578 1.00 0.00 N ATOM 439 CA LEU A 32 -9.263 -6.397 7.234 1.00 0.00 C ATOM 440 C LEU A 32 -8.276 -5.378 7.793 1.00 0.00 C ATOM 441 O LEU A 32 -7.965 -5.389 8.984 1.00 0.00 O ATOM 442 CB LEU A 32 -10.667 -6.110 7.769 1.00 0.00 C ATOM 443 CG LEU A 32 -11.829 -6.587 6.896 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.804 -5.887 5.546 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.775 -8.097 6.716 1.00 0.00 C ATOM 0 H LEU A 32 -9.363 -8.158 8.370 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.269 -6.310 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.762 -6.574 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.766 -5.034 7.914 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.763 -6.333 7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.638 -6.239 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.891 -4.810 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.866 -6.110 5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.609 -8.419 6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.836 -8.373 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.842 -8.582 7.690 1.00 0.00 H new ATOM 457 N ALA A 33 -7.786 -4.498 6.926 1.00 0.00 N ATOM 458 CA ALA A 33 -6.837 -3.470 7.334 1.00 0.00 C ATOM 459 C ALA A 33 -6.668 -2.416 6.245 1.00 0.00 C ATOM 460 O ALA A 33 -6.476 -2.744 5.073 1.00 0.00 O ATOM 461 CB ALA A 33 -5.494 -4.097 7.677 1.00 0.00 C ATOM 0 H ALA A 33 -8.031 -4.477 5.936 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.233 -2.977 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.795 -3.317 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.622 -4.807 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.101 -4.617 6.803 1.00 0.00 H new ATOM 467 N LEU A 34 -6.742 -1.149 6.638 1.00 0.00 N ATOM 468 CA LEU A 34 -6.598 -0.046 5.694 1.00 0.00 C ATOM 469 C LEU A 34 -7.567 -0.198 4.526 1.00 0.00 C ATOM 470 O LEU A 34 -7.204 0.030 3.372 1.00 0.00 O ATOM 471 CB LEU A 34 -5.160 0.022 5.174 1.00 0.00 C ATOM 472 CG LEU A 34 -4.118 0.567 6.151 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.732 -0.497 7.167 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.890 1.061 5.400 1.00 0.00 C ATOM 0 H LEU A 34 -6.901 -0.860 7.603 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.833 0.881 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.856 -0.980 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.148 0.642 4.278 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.555 1.410 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.989 -0.091 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.616 -0.803 7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.314 -1.360 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.159 1.445 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.451 0.237 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.179 1.855 4.712 1.00 0.00 H new ATOM 486 N ASP A 35 -8.800 -0.582 4.834 1.00 0.00 N ATOM 487 CA ASP A 35 -9.823 -0.762 3.810 1.00 0.00 C ATOM 488 C ASP A 35 -9.346 -1.725 2.728 1.00 0.00 C ATOM 489 O ASP A 35 -9.799 -1.666 1.585 1.00 0.00 O ATOM 490 CB ASP A 35 -10.191 0.585 3.185 1.00 0.00 C ATOM 491 CG ASP A 35 -11.592 0.591 2.607 1.00 0.00 C ATOM 492 OD1 ASP A 35 -12.533 0.193 3.325 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.748 0.995 1.436 1.00 0.00 O ATOM 0 H ASP A 35 -9.116 -0.775 5.784 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.707 -1.187 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.109 1.367 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.476 0.825 2.398 1.00 0.00 H new ATOM 498 N LYS A 36 -8.428 -2.613 3.096 1.00 0.00 N ATOM 499 CA LYS A 36 -7.889 -3.590 2.158 1.00 0.00 C ATOM 500 C LYS A 36 -7.962 -4.999 2.738 1.00 0.00 C ATOM 501 O LYS A 36 -8.342 -5.184 3.894 1.00 0.00 O ATOM 502 CB LYS A 36 -6.439 -3.246 1.809 1.00 0.00 C ATOM 503 CG LYS A 36 -6.303 -2.355 0.586 1.00 0.00 C ATOM 504 CD LYS A 36 -4.987 -1.595 0.594 1.00 0.00 C ATOM 505 CE LYS A 36 -5.088 -0.315 1.410 1.00 0.00 C ATOM 506 NZ LYS A 36 -4.148 0.731 0.919 1.00 0.00 N ATOM 0 H LYS A 36 -8.042 -2.676 4.038 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.493 -3.557 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.976 -2.750 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.886 -4.170 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.368 -2.962 -0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.132 -1.648 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.202 -2.229 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.699 -1.354 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.109 0.064 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.874 -0.533 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.247 1.587 1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.172 0.379 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.368 0.958 -0.072 1.00 0.00 H new ATOM 520 N GLN A 37 -7.596 -5.987 1.928 1.00 0.00 N ATOM 521 CA GLN A 37 -7.620 -7.379 2.363 1.00 0.00 C ATOM 522 C GLN A 37 -6.228 -7.997 2.286 1.00 0.00 C ATOM 523 O GLN A 37 -5.650 -8.117 1.206 1.00 0.00 O ATOM 524 CB GLN A 37 -8.597 -8.186 1.506 1.00 0.00 C ATOM 525 CG GLN A 37 -10.037 -8.104 1.986 1.00 0.00 C ATOM 526 CD GLN A 37 -11.010 -8.759 1.025 1.00 0.00 C ATOM 527 OE1 GLN A 37 -12.077 -8.216 0.737 1.00 0.00 O ATOM 528 NE2 GLN A 37 -10.647 -9.933 0.523 1.00 0.00 N ATOM 0 H GLN A 37 -7.280 -5.850 0.968 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.952 -7.404 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.545 -7.830 0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.284 -9.230 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.119 -8.582 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.313 -7.058 2.120 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.754 -10.347 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.262 -10.421 -0.129 1.00 0.00 H new ATOM 537 N TRP A 38 -5.696 -8.387 3.439 1.00 0.00 N ATOM 538 CA TRP A 38 -4.370 -8.993 3.502 1.00 0.00 C ATOM 539 C TRP A 38 -4.431 -10.368 4.158 1.00 0.00 C ATOM 540 O TRP A 38 -5.339 -10.654 4.940 1.00 0.00 O ATOM 541 CB TRP A 38 -3.409 -8.088 4.274 1.00 0.00 C ATOM 542 CG TRP A 38 -3.616 -6.629 3.998 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.735 -5.894 4.268 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.679 -5.730 3.396 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.550 -4.592 3.870 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.296 -4.465 3.333 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.377 -5.869 2.906 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.656 -3.350 2.799 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.743 -4.762 2.376 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.382 -3.516 2.326 1.00 0.00 C ATOM 0 H TRP A 38 -6.161 -8.295 4.342 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.004 -9.113 2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.530 -8.269 5.342 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.384 -8.357 4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.633 -6.280 4.727 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.235 -3.842 3.960 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.876 -6.825 2.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.147 -2.389 2.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.262 -4.859 1.994 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.859 -2.670 1.906 1.00 0.00 H new ATOM 561 N HIS A 39 -3.460 -11.216 3.836 1.00 0.00 N ATOM 562 CA HIS A 39 -3.403 -12.562 4.396 1.00 0.00 C ATOM 563 C HIS A 39 -2.935 -12.528 5.847 1.00 0.00 C ATOM 564 O HIS A 39 -2.414 -11.516 6.318 1.00 0.00 O ATOM 565 CB HIS A 39 -2.469 -13.444 3.566 1.00 0.00 C ATOM 566 CG HIS A 39 -3.056 -13.873 2.257 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.308 -14.013 1.107 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.326 -14.194 1.919 1.00 0.00 C ATOM 569 CE1 HIS A 39 -3.093 -14.401 0.118 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.323 -14.519 0.585 1.00 0.00 N ATOM 0 H HIS A 39 -2.702 -10.995 3.190 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.408 -12.983 4.367 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.542 -12.902 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.209 -14.330 4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.183 -14.195 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.782 -14.590 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.138 -14.805 0.043 1.00 0.00 H new ATOM 578 N VAL A 40 -3.123 -13.639 6.552 1.00 0.00 N ATOM 579 CA VAL A 40 -2.719 -13.736 7.949 1.00 0.00 C ATOM 580 C VAL A 40 -1.201 -13.725 8.084 1.00 0.00 C ATOM 581 O VAL A 40 -0.665 -13.477 9.165 1.00 0.00 O ATOM 582 CB VAL A 40 -3.273 -15.014 8.606 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.789 -15.129 10.043 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.793 -15.030 8.543 1.00 0.00 C ATOM 0 H VAL A 40 -3.553 -14.485 6.178 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.132 -12.866 8.459 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.901 -15.876 8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.191 -16.038 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.700 -15.168 10.058 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.129 -14.264 10.612 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.167 -15.940 9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.188 -14.162 9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.114 -15.000 7.502 1.00 0.00 H new ATOM 594 N SER A 41 -0.512 -13.995 6.980 1.00 0.00 N ATOM 595 CA SER A 41 0.946 -14.020 6.976 1.00 0.00 C ATOM 596 C SER A 41 1.504 -12.991 5.998 1.00 0.00 C ATOM 597 O SER A 41 2.634 -13.114 5.526 1.00 0.00 O ATOM 598 CB SER A 41 1.452 -15.416 6.608 1.00 0.00 C ATOM 599 OG SER A 41 0.976 -16.389 7.522 1.00 0.00 O ATOM 0 H SER A 41 -0.940 -14.199 6.077 1.00 0.00 H new ATOM 0 HA SER A 41 1.292 -13.768 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.126 -15.670 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.542 -15.421 6.602 1.00 0.00 H new ATOM 0 HG SER A 41 1.312 -17.273 7.264 1.00 0.00 H new ATOM 605 N CYS A 42 0.702 -11.974 5.698 1.00 0.00 N ATOM 606 CA CYS A 42 1.113 -10.922 4.776 1.00 0.00 C ATOM 607 C CYS A 42 0.986 -9.548 5.427 1.00 0.00 C ATOM 608 O CYS A 42 1.768 -8.640 5.144 1.00 0.00 O ATOM 609 CB CYS A 42 0.269 -10.974 3.501 1.00 0.00 C ATOM 610 SG CYS A 42 0.732 -12.315 2.357 1.00 0.00 S ATOM 0 H CYS A 42 -0.236 -11.857 6.080 1.00 0.00 H new ATOM 0 HA CYS A 42 2.159 -11.087 4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.779 -11.091 3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.357 -10.020 2.981 1.00 0.00 H new ATOM 615 N PHE A 43 -0.004 -9.403 6.302 1.00 0.00 N ATOM 616 CA PHE A 43 -0.235 -8.140 6.993 1.00 0.00 C ATOM 617 C PHE A 43 0.844 -7.890 8.043 1.00 0.00 C ATOM 618 O PHE A 43 0.668 -8.210 9.219 1.00 0.00 O ATOM 619 CB PHE A 43 -1.615 -8.141 7.653 1.00 0.00 C ATOM 620 CG PHE A 43 -1.996 -6.814 8.247 1.00 0.00 C ATOM 621 CD1 PHE A 43 -2.019 -5.671 7.464 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.331 -6.711 9.587 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.370 -4.449 8.007 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.683 -5.492 10.136 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.701 -4.360 9.345 1.00 0.00 C ATOM 0 H PHE A 43 -0.659 -10.145 6.549 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.193 -7.338 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.363 -8.427 6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.634 -8.899 8.436 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.760 -5.735 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.317 -7.593 10.210 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.385 -3.566 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.944 -5.425 11.182 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.974 -3.406 9.772 1.00 0.00 H new ATOM 635 N LYS A 44 1.961 -7.316 7.610 1.00 0.00 N ATOM 636 CA LYS A 44 3.069 -7.021 8.510 1.00 0.00 C ATOM 637 C LYS A 44 3.593 -5.607 8.283 1.00 0.00 C ATOM 638 O LYS A 44 3.212 -4.939 7.321 1.00 0.00 O ATOM 639 CB LYS A 44 4.199 -8.034 8.310 1.00 0.00 C ATOM 640 CG LYS A 44 4.538 -8.286 6.851 1.00 0.00 C ATOM 641 CD LYS A 44 5.635 -9.328 6.706 1.00 0.00 C ATOM 642 CE LYS A 44 5.569 -10.020 5.353 1.00 0.00 C ATOM 643 NZ LYS A 44 6.880 -10.615 4.971 1.00 0.00 N ATOM 0 H LYS A 44 2.123 -7.046 6.640 1.00 0.00 H new ATOM 0 HA LYS A 44 2.702 -7.093 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.091 -7.677 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.917 -8.978 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.646 -8.620 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.856 -7.354 6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.608 -8.853 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.542 -10.069 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.810 -10.801 5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.260 -9.303 4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.794 -11.077 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.599 -9.866 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.163 -11.318 5.683 1.00 0.00 H new ATOM 657 N CYS A 45 4.471 -5.156 9.173 1.00 0.00 N ATOM 658 CA CYS A 45 5.049 -3.821 9.070 1.00 0.00 C ATOM 659 C CYS A 45 5.582 -3.567 7.663 1.00 0.00 C ATOM 660 O CYS A 45 5.697 -4.490 6.856 1.00 0.00 O ATOM 661 CB CYS A 45 6.174 -3.650 10.092 1.00 0.00 C ATOM 662 SG CYS A 45 6.717 -1.925 10.317 1.00 0.00 S ATOM 0 H CYS A 45 4.798 -5.696 9.974 1.00 0.00 H new ATOM 0 HA CYS A 45 4.264 -3.094 9.279 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.841 -4.043 11.052 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.028 -4.251 9.780 1.00 0.00 H new ATOM 667 N GLN A 46 5.906 -2.310 7.377 1.00 0.00 N ATOM 668 CA GLN A 46 6.426 -1.935 6.067 1.00 0.00 C ATOM 669 C GLN A 46 7.913 -1.603 6.147 1.00 0.00 C ATOM 670 O GLN A 46 8.613 -1.590 5.134 1.00 0.00 O ATOM 671 CB GLN A 46 5.653 -0.738 5.512 1.00 0.00 C ATOM 672 CG GLN A 46 6.243 -0.174 4.229 1.00 0.00 C ATOM 673 CD GLN A 46 6.330 -1.208 3.124 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.399 -1.442 2.560 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.202 -1.832 2.807 1.00 0.00 N ATOM 0 H GLN A 46 5.818 -1.535 8.034 1.00 0.00 H new ATOM 0 HA GLN A 46 6.297 -2.784 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.621 -1.037 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.627 0.048 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.633 0.664 3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.239 0.219 4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.338 -1.607 3.301 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.199 -2.537 2.070 1.00 0.00 H new ATOM 684 N THR A 47 8.390 -1.334 7.358 1.00 0.00 N ATOM 685 CA THR A 47 9.793 -1.001 7.570 1.00 0.00 C ATOM 686 C THR A 47 10.587 -2.223 8.018 1.00 0.00 C ATOM 687 O THR A 47 11.722 -2.430 7.587 1.00 0.00 O ATOM 688 CB THR A 47 9.952 0.114 8.621 1.00 0.00 C ATOM 689 OG1 THR A 47 9.367 1.329 8.140 1.00 0.00 O ATOM 690 CG2 THR A 47 11.420 0.346 8.945 1.00 0.00 C ATOM 0 H THR A 47 7.825 -1.340 8.207 1.00 0.00 H new ATOM 0 HA THR A 47 10.182 -0.649 6.615 1.00 0.00 H new ATOM 0 HB THR A 47 9.440 -0.199 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.935 2.087 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.508 1.138 9.689 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.855 -0.572 9.339 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.951 0.639 8.039 1.00 0.00 H new ATOM 698 N CYS A 48 9.983 -3.030 8.883 1.00 0.00 N ATOM 699 CA CYS A 48 10.634 -4.233 9.389 1.00 0.00 C ATOM 700 C CYS A 48 9.990 -5.487 8.803 1.00 0.00 C ATOM 701 O CYS A 48 10.602 -6.555 8.774 1.00 0.00 O ATOM 702 CB CYS A 48 10.560 -4.274 10.916 1.00 0.00 C ATOM 703 SG CYS A 48 8.874 -4.488 11.573 1.00 0.00 S ATOM 0 H CYS A 48 9.044 -2.873 9.249 1.00 0.00 H new ATOM 0 HA CYS A 48 11.680 -4.206 9.084 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.186 -5.090 11.278 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.979 -3.350 11.314 1.00 0.00 H new ATOM 708 N SER A 49 8.753 -5.348 8.338 1.00 0.00 N ATOM 709 CA SER A 49 8.025 -6.470 7.756 1.00 0.00 C ATOM 710 C SER A 49 7.764 -7.549 8.802 1.00 0.00 C ATOM 711 O SER A 49 8.112 -8.714 8.609 1.00 0.00 O ATOM 712 CB SER A 49 8.808 -7.060 6.582 1.00 0.00 C ATOM 713 OG SER A 49 8.441 -6.440 5.362 1.00 0.00 O ATOM 0 H SER A 49 8.234 -4.470 8.353 1.00 0.00 H new ATOM 0 HA SER A 49 7.066 -6.100 7.394 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.877 -6.931 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.622 -8.132 6.519 1.00 0.00 H new ATOM 0 HG SER A 49 8.957 -6.833 4.627 1.00 0.00 H new ATOM 719 N VAL A 50 7.150 -7.153 9.913 1.00 0.00 N ATOM 720 CA VAL A 50 6.842 -8.085 10.990 1.00 0.00 C ATOM 721 C VAL A 50 5.345 -8.370 11.059 1.00 0.00 C ATOM 722 O VAL A 50 4.525 -7.456 10.970 1.00 0.00 O ATOM 723 CB VAL A 50 7.313 -7.544 12.353 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.465 -6.355 12.778 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.271 -8.642 13.405 1.00 0.00 C ATOM 0 H VAL A 50 6.856 -6.192 10.090 1.00 0.00 H new ATOM 0 HA VAL A 50 7.376 -9.010 10.770 1.00 0.00 H new ATOM 0 HB VAL A 50 8.345 -7.207 12.253 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.813 -5.987 13.743 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.551 -5.562 12.035 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.423 -6.663 12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.607 -8.242 14.362 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.250 -9.012 13.504 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.925 -9.460 13.104 1.00 0.00 H new ATOM 735 N ILE A 51 4.998 -9.642 11.218 1.00 0.00 N ATOM 736 CA ILE A 51 3.600 -10.047 11.300 1.00 0.00 C ATOM 737 C ILE A 51 2.867 -9.274 12.391 1.00 0.00 C ATOM 738 O ILE A 51 3.249 -9.316 13.561 1.00 0.00 O ATOM 739 CB ILE A 51 3.466 -11.556 11.577 1.00 0.00 C ATOM 740 CG1 ILE A 51 4.092 -12.364 10.438 1.00 0.00 C ATOM 741 CG2 ILE A 51 2.004 -11.933 11.760 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.352 -12.230 9.126 1.00 0.00 C ATOM 0 H ILE A 51 5.665 -10.410 11.293 1.00 0.00 H new ATOM 0 HA ILE A 51 3.149 -9.822 10.333 1.00 0.00 H new ATOM 0 HB ILE A 51 3.999 -11.790 12.498 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.124 -12.041 10.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.122 -13.416 10.723 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.926 -13.003 11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.588 -11.379 12.602 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.449 -11.688 10.855 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.851 -12.829 8.364 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.327 -12.580 9.249 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.344 -11.184 8.818 1.00 0.00 H new ATOM 754 N LEU A 52 1.810 -8.569 12.001 1.00 0.00 N ATOM 755 CA LEU A 52 1.021 -7.787 12.946 1.00 0.00 C ATOM 756 C LEU A 52 -0.340 -8.434 13.185 1.00 0.00 C ATOM 757 O LEU A 52 -1.207 -8.424 12.310 1.00 0.00 O ATOM 758 CB LEU A 52 0.836 -6.360 12.428 1.00 0.00 C ATOM 759 CG LEU A 52 2.119 -5.583 12.131 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.850 -4.474 11.125 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.707 -5.012 13.413 1.00 0.00 C ATOM 0 H LEU A 52 1.480 -8.523 11.037 1.00 0.00 H new ATOM 0 HA LEU A 52 1.560 -7.756 13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.240 -6.400 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.258 -5.800 13.163 1.00 0.00 H new ATOM 0 HG LEU A 52 2.845 -6.271 11.698 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.774 -3.932 10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.476 -4.907 10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.107 -3.788 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.619 -4.462 13.182 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.985 -4.339 13.876 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.938 -5.825 14.101 1.00 0.00 H new ATOM 773 N THR A 53 -0.522 -8.994 14.377 1.00 0.00 N ATOM 774 CA THR A 53 -1.777 -9.644 14.732 1.00 0.00 C ATOM 775 C THR A 53 -2.455 -8.932 15.897 1.00 0.00 C ATOM 776 O THR A 53 -3.651 -8.645 15.851 1.00 0.00 O ATOM 777 CB THR A 53 -1.558 -11.122 15.106 1.00 0.00 C ATOM 778 OG1 THR A 53 -0.514 -11.232 16.080 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.200 -11.944 13.877 1.00 0.00 C ATOM 0 H THR A 53 0.184 -9.010 15.113 1.00 0.00 H new ATOM 0 HA THR A 53 -2.420 -9.591 13.853 1.00 0.00 H new ATOM 0 HB THR A 53 -2.487 -11.509 15.525 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.382 -12.175 16.313 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.050 -12.984 14.166 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.010 -11.883 13.150 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.283 -11.555 13.433 1.00 0.00 H new ATOM 787 N GLY A 54 -1.683 -8.648 16.941 1.00 0.00 N ATOM 788 CA GLY A 54 -2.226 -7.971 18.104 1.00 0.00 C ATOM 789 C GLY A 54 -2.529 -6.510 17.835 1.00 0.00 C ATOM 790 O GLY A 54 -3.614 -6.171 17.366 1.00 0.00 O ATOM 0 H GLY A 54 -0.690 -8.875 17.002 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.138 -8.476 18.421 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.517 -8.046 18.928 1.00 0.00 H new ATOM 794 N GLU A 55 -1.566 -5.643 18.135 1.00 0.00 N ATOM 795 CA GLU A 55 -1.737 -4.210 17.925 1.00 0.00 C ATOM 796 C GLU A 55 -0.788 -3.702 16.843 1.00 0.00 C ATOM 797 O GLU A 55 0.288 -4.264 16.632 1.00 0.00 O ATOM 798 CB GLU A 55 -1.495 -3.449 19.230 1.00 0.00 C ATOM 799 CG GLU A 55 -0.091 -3.623 19.785 1.00 0.00 C ATOM 800 CD GLU A 55 -0.049 -3.543 21.299 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.299 -4.576 21.955 1.00 0.00 O ATOM 802 OE2 GLU A 55 0.235 -2.448 21.827 1.00 0.00 O ATOM 0 H GLU A 55 -0.661 -5.908 18.524 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.762 -4.036 17.596 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.681 -2.388 19.062 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.216 -3.785 19.976 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.306 -4.586 19.464 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.559 -2.855 19.366 1.00 0.00 H new ATOM 809 N TYR A 56 -1.194 -2.637 16.161 1.00 0.00 N ATOM 810 CA TYR A 56 -0.382 -2.055 15.099 1.00 0.00 C ATOM 811 C TYR A 56 -0.807 -0.618 14.814 1.00 0.00 C ATOM 812 O TYR A 56 -1.895 -0.192 15.204 1.00 0.00 O ATOM 813 CB TYR A 56 -0.494 -2.893 13.825 1.00 0.00 C ATOM 814 CG TYR A 56 -1.675 -2.522 12.957 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.914 -3.123 13.143 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.552 -1.572 11.951 1.00 0.00 C ATOM 817 CE1 TYR A 56 -3.996 -2.787 12.352 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.629 -1.229 11.157 1.00 0.00 C ATOM 819 CZ TYR A 56 -3.849 -1.840 11.361 1.00 0.00 C ATOM 820 OH TYR A 56 -4.924 -1.502 10.571 1.00 0.00 O ATOM 0 H TYR A 56 -2.080 -2.159 16.325 1.00 0.00 H new ATOM 0 HA TYR A 56 0.656 -2.049 15.432 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.422 -2.781 13.245 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.571 -3.945 14.098 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.033 -3.865 13.919 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.598 -1.093 11.787 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.952 -3.264 12.509 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.517 -0.487 10.381 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.652 -0.819 9.923 1.00 0.00 H new ATOM 830 N ILE A 57 0.058 0.124 14.132 1.00 0.00 N ATOM 831 CA ILE A 57 -0.227 1.513 13.793 1.00 0.00 C ATOM 832 C ILE A 57 -0.213 1.724 12.283 1.00 0.00 C ATOM 833 O ILE A 57 0.663 1.217 11.583 1.00 0.00 O ATOM 834 CB ILE A 57 0.787 2.472 14.444 1.00 0.00 C ATOM 835 CG1 ILE A 57 1.022 2.085 15.906 1.00 0.00 C ATOM 836 CG2 ILE A 57 0.298 3.909 14.343 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.321 2.615 16.470 1.00 0.00 C ATOM 0 H ILE A 57 0.963 -0.213 13.803 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.222 1.734 14.179 1.00 0.00 H new ATOM 0 HB ILE A 57 1.734 2.393 13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.194 2.458 16.510 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.015 0.998 15.991 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.026 4.574 14.808 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.177 4.179 13.294 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.660 4.004 14.855 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.421 2.302 17.509 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.156 2.222 15.891 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.323 3.704 16.417 1.00 0.00 H new ATOM 849 N SER A 58 -1.188 2.479 11.787 1.00 0.00 N ATOM 850 CA SER A 58 -1.289 2.757 10.359 1.00 0.00 C ATOM 851 C SER A 58 -0.893 4.199 10.057 1.00 0.00 C ATOM 852 O SER A 58 -1.421 5.138 10.653 1.00 0.00 O ATOM 853 CB SER A 58 -2.713 2.493 9.866 1.00 0.00 C ATOM 854 OG SER A 58 -3.641 3.353 10.504 1.00 0.00 O ATOM 0 H SER A 58 -1.919 2.909 12.353 1.00 0.00 H new ATOM 0 HA SER A 58 -0.602 2.093 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.760 2.638 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.982 1.455 10.060 1.00 0.00 H new ATOM 0 HG SER A 58 -3.179 4.159 10.817 1.00 0.00 H new ATOM 860 N LYS A 59 0.040 4.367 9.126 1.00 0.00 N ATOM 861 CA LYS A 59 0.508 5.693 8.742 1.00 0.00 C ATOM 862 C LYS A 59 0.387 5.897 7.235 1.00 0.00 C ATOM 863 O LYS A 59 0.766 5.028 6.450 1.00 0.00 O ATOM 864 CB LYS A 59 1.961 5.891 9.180 1.00 0.00 C ATOM 865 CG LYS A 59 2.304 7.332 9.514 1.00 0.00 C ATOM 866 CD LYS A 59 2.562 8.150 8.259 1.00 0.00 C ATOM 867 CE LYS A 59 2.441 9.641 8.531 1.00 0.00 C ATOM 868 NZ LYS A 59 2.912 10.455 7.377 1.00 0.00 N ATOM 0 H LYS A 59 0.487 3.600 8.623 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.119 6.431 9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.157 5.268 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.622 5.544 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.487 7.780 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.186 7.358 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.559 7.928 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.852 7.862 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.402 9.887 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.022 9.897 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.829 11.466 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.906 10.227 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.330 10.242 6.542 1.00 0.00 H new ATOM 882 N ASP A 60 -0.140 7.050 6.839 1.00 0.00 N ATOM 883 CA ASP A 60 -0.308 7.368 5.426 1.00 0.00 C ATOM 884 C ASP A 60 -0.789 6.148 4.647 1.00 0.00 C ATOM 885 O ASP A 60 -0.453 5.974 3.476 1.00 0.00 O ATOM 886 CB ASP A 60 1.008 7.878 4.836 1.00 0.00 C ATOM 887 CG ASP A 60 0.801 8.684 3.569 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.785 8.078 2.477 1.00 0.00 O ATOM 889 OD2 ASP A 60 0.655 9.920 3.669 1.00 0.00 O ATOM 0 H ASP A 60 -0.458 7.780 7.476 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.062 8.150 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.520 8.494 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.659 7.031 4.622 1.00 0.00 H new ATOM 894 N GLY A 61 -1.578 5.305 5.306 1.00 0.00 N ATOM 895 CA GLY A 61 -2.092 4.111 4.660 1.00 0.00 C ATOM 896 C GLY A 61 -1.067 2.996 4.603 1.00 0.00 C ATOM 897 O GLY A 61 -1.003 2.250 3.626 1.00 0.00 O ATOM 0 H GLY A 61 -1.870 5.427 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.974 3.762 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.412 4.358 3.648 1.00 0.00 H new ATOM 901 N VAL A 62 -0.260 2.882 5.654 1.00 0.00 N ATOM 902 CA VAL A 62 0.768 1.850 5.720 1.00 0.00 C ATOM 903 C VAL A 62 0.888 1.283 7.130 1.00 0.00 C ATOM 904 O VAL A 62 1.026 2.015 8.110 1.00 0.00 O ATOM 905 CB VAL A 62 2.139 2.395 5.279 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.170 1.277 5.238 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.029 3.080 3.925 1.00 0.00 C ATOM 0 H VAL A 62 -0.299 3.492 6.471 1.00 0.00 H new ATOM 0 HA VAL A 62 0.464 1.056 5.037 1.00 0.00 H new ATOM 0 HB VAL A 62 2.469 3.134 6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.133 1.681 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.268 0.836 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.850 0.512 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.007 3.459 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.677 2.364 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.324 3.908 3.993 1.00 0.00 H new ATOM 917 N PRO A 63 0.834 -0.053 7.237 1.00 0.00 N ATOM 918 CA PRO A 63 0.936 -0.748 8.524 1.00 0.00 C ATOM 919 C PRO A 63 2.336 -0.658 9.122 1.00 0.00 C ATOM 920 O PRO A 63 3.331 -0.886 8.434 1.00 0.00 O ATOM 921 CB PRO A 63 0.598 -2.199 8.170 1.00 0.00 C ATOM 922 CG PRO A 63 0.950 -2.329 6.729 1.00 0.00 C ATOM 923 CD PRO A 63 0.671 -0.987 6.111 1.00 0.00 C ATOM 0 HA PRO A 63 0.278 -0.313 9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.168 -2.899 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.457 -2.413 8.341 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.997 -2.605 6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.357 -3.109 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.366 -0.765 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.334 -0.939 5.691 1.00 0.00 H new ATOM 931 N TYR A 64 2.405 -0.325 10.406 1.00 0.00 N ATOM 932 CA TYR A 64 3.683 -0.203 11.096 1.00 0.00 C ATOM 933 C TYR A 64 3.583 -0.727 12.526 1.00 0.00 C ATOM 934 O TYR A 64 2.520 -0.676 13.145 1.00 0.00 O ATOM 935 CB TYR A 64 4.143 1.256 11.108 1.00 0.00 C ATOM 936 CG TYR A 64 4.541 1.775 9.745 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.657 1.274 9.086 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.800 2.768 9.115 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.024 1.747 7.841 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.159 3.246 7.869 1.00 0.00 C ATOM 941 CZ TYR A 64 5.272 2.732 7.237 1.00 0.00 C ATOM 942 OH TYR A 64 5.634 3.205 5.996 1.00 0.00 O ATOM 0 H TYR A 64 1.591 -0.135 10.990 1.00 0.00 H new ATOM 0 HA TYR A 64 4.416 -0.804 10.558 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.341 1.878 11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.990 1.356 11.787 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.248 0.501 9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.929 3.173 9.608 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.895 1.347 7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.572 4.017 7.393 1.00 0.00 H new ATOM 0 HH TYR A 64 4.999 3.895 5.711 1.00 0.00 H new ATOM 952 N CYS A 65 4.698 -1.231 13.044 1.00 0.00 N ATOM 953 CA CYS A 65 4.738 -1.765 14.400 1.00 0.00 C ATOM 954 C CYS A 65 5.072 -0.668 15.407 1.00 0.00 C ATOM 955 O CYS A 65 5.529 0.411 15.034 1.00 0.00 O ATOM 956 CB CYS A 65 5.769 -2.892 14.496 1.00 0.00 C ATOM 957 SG CYS A 65 7.467 -2.384 14.074 1.00 0.00 S ATOM 0 H CYS A 65 5.586 -1.281 12.545 1.00 0.00 H new ATOM 0 HA CYS A 65 3.751 -2.163 14.637 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.762 -3.291 15.510 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.468 -3.703 13.832 1.00 0.00 H new ATOM 962 N GLU A 66 4.840 -0.955 16.684 1.00 0.00 N ATOM 963 CA GLU A 66 5.115 0.008 17.744 1.00 0.00 C ATOM 964 C GLU A 66 6.610 0.304 17.835 1.00 0.00 C ATOM 965 O GLU A 66 7.036 1.173 18.596 1.00 0.00 O ATOM 966 CB GLU A 66 4.606 -0.519 19.087 1.00 0.00 C ATOM 967 CG GLU A 66 3.138 -0.910 19.070 1.00 0.00 C ATOM 968 CD GLU A 66 2.469 -0.728 20.419 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.607 -1.626 21.276 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.809 0.314 20.617 1.00 0.00 O ATOM 0 H GLU A 66 4.463 -1.845 17.009 1.00 0.00 H new ATOM 0 HA GLU A 66 4.592 0.934 17.504 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.201 -1.385 19.377 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.761 0.244 19.850 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.615 -0.310 18.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.047 -1.951 18.761 1.00 0.00 H new ATOM 977 N SER A 67 7.400 -0.426 17.055 1.00 0.00 N ATOM 978 CA SER A 67 8.847 -0.246 17.050 1.00 0.00 C ATOM 979 C SER A 67 9.262 0.788 16.009 1.00 0.00 C ATOM 980 O SER A 67 9.660 1.903 16.348 1.00 0.00 O ATOM 981 CB SER A 67 9.547 -1.577 16.771 1.00 0.00 C ATOM 982 OG SER A 67 10.951 -1.456 16.920 1.00 0.00 O ATOM 0 H SER A 67 7.063 -1.148 16.418 1.00 0.00 H new ATOM 0 HA SER A 67 9.147 0.114 18.034 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.170 -2.340 17.453 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.313 -1.910 15.760 1.00 0.00 H new ATOM 0 HG SER A 67 11.375 -2.321 16.738 1.00 0.00 H new ATOM 988 N ASP A 68 9.167 0.411 14.739 1.00 0.00 N ATOM 989 CA ASP A 68 9.531 1.304 13.645 1.00 0.00 C ATOM 990 C ASP A 68 8.747 2.611 13.727 1.00 0.00 C ATOM 991 O ASP A 68 9.330 3.693 13.791 1.00 0.00 O ATOM 992 CB ASP A 68 9.278 0.627 12.298 1.00 0.00 C ATOM 993 CG ASP A 68 10.152 -0.594 12.091 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.202 -0.692 12.760 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.788 -1.451 11.258 1.00 0.00 O ATOM 0 H ASP A 68 8.841 -0.508 14.441 1.00 0.00 H new ATOM 0 HA ASP A 68 10.593 1.532 13.733 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.230 0.335 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.461 1.342 11.495 1.00 0.00 H new ATOM 1000 N TYR A 69 7.424 2.501 13.725 1.00 0.00 N ATOM 1001 CA TYR A 69 6.560 3.673 13.795 1.00 0.00 C ATOM 1002 C TYR A 69 7.061 4.657 14.848 1.00 0.00 C ATOM 1003 O TYR A 69 7.335 5.819 14.549 1.00 0.00 O ATOM 1004 CB TYR A 69 5.123 3.256 14.114 1.00 0.00 C ATOM 1005 CG TYR A 69 4.131 4.394 14.039 1.00 0.00 C ATOM 1006 CD1 TYR A 69 4.102 5.383 15.014 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.222 4.482 12.991 1.00 0.00 C ATOM 1008 CE1 TYR A 69 3.197 6.424 14.950 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.314 5.520 12.918 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.305 6.488 13.900 1.00 0.00 C ATOM 1011 OH TYR A 69 1.402 7.525 13.831 1.00 0.00 O ATOM 0 H TYR A 69 6.926 1.612 13.676 1.00 0.00 H new ATOM 0 HA TYR A 69 6.581 4.166 12.823 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.818 2.473 13.419 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.093 2.824 15.114 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.800 5.337 15.837 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.226 3.725 12.220 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.188 7.184 15.718 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.615 5.573 12.096 1.00 0.00 H new ATOM 0 HH TYR A 69 0.847 7.423 13.030 1.00 0.00 H new ATOM 1021 N HIS A 70 7.178 4.181 16.084 1.00 0.00 N ATOM 1022 CA HIS A 70 7.647 5.017 17.184 1.00 0.00 C ATOM 1023 C HIS A 70 9.069 5.506 16.926 1.00 0.00 C ATOM 1024 O HIS A 70 9.532 6.457 17.554 1.00 0.00 O ATOM 1025 CB HIS A 70 7.593 4.243 18.501 1.00 0.00 C ATOM 1026 CG HIS A 70 6.264 4.322 19.188 1.00 0.00 C ATOM 1027 ND1 HIS A 70 6.124 4.651 20.520 1.00 0.00 N ATOM 1028 CD2 HIS A 70 5.011 4.115 18.719 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.843 4.641 20.841 1.00 0.00 C ATOM 1030 NE2 HIS A 70 4.146 4.319 19.766 1.00 0.00 N ATOM 0 H HIS A 70 6.955 3.222 16.349 1.00 0.00 H new ATOM 0 HA HIS A 70 6.990 5.884 17.254 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.832 3.197 18.308 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.362 4.627 19.171 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.742 3.841 17.710 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.435 4.859 21.817 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.130 4.235 19.721 1.00 0.00 H new ATOM 1039 N ALA A 71 9.757 4.849 15.998 1.00 0.00 N ATOM 1040 CA ALA A 71 11.125 5.217 15.656 1.00 0.00 C ATOM 1041 C ALA A 71 11.156 6.175 14.470 1.00 0.00 C ATOM 1042 O ALA A 71 12.102 6.945 14.308 1.00 0.00 O ATOM 1043 CB ALA A 71 11.947 3.973 15.354 1.00 0.00 C ATOM 0 H ALA A 71 9.389 4.058 15.469 1.00 0.00 H new ATOM 0 HA ALA A 71 11.562 5.728 16.514 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.966 4.263 15.100 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.962 3.325 16.230 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.502 3.438 14.515 1.00 0.00 H new ATOM 1049 N GLN A 72 10.116 6.121 13.645 1.00 0.00 N ATOM 1050 CA GLN A 72 10.026 6.984 12.473 1.00 0.00 C ATOM 1051 C GLN A 72 9.390 8.323 12.830 1.00 0.00 C ATOM 1052 O GLN A 72 10.030 9.371 12.734 1.00 0.00 O ATOM 1053 CB GLN A 72 9.216 6.299 11.370 1.00 0.00 C ATOM 1054 CG GLN A 72 10.069 5.520 10.382 1.00 0.00 C ATOM 1055 CD GLN A 72 9.262 4.962 9.227 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.355 5.447 8.099 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.464 3.938 9.503 1.00 0.00 N ATOM 0 H GLN A 72 9.324 5.489 13.766 1.00 0.00 H new ATOM 0 HA GLN A 72 11.037 7.168 12.111 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.495 5.622 11.828 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.645 7.053 10.828 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.852 6.170 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.565 4.701 10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.419 3.568 10.453 1.00 0.00 H new ATOM 0 HE22 GLN A 72 7.896 3.521 8.766 1.00 0.00 H new ATOM 1066 N PHE A 73 8.127 8.282 13.242 1.00 0.00 N ATOM 1067 CA PHE A 73 7.404 9.493 13.612 1.00 0.00 C ATOM 1068 C PHE A 73 7.424 9.697 15.124 1.00 0.00 C ATOM 1069 O PHE A 73 7.242 10.811 15.614 1.00 0.00 O ATOM 1070 CB PHE A 73 5.959 9.422 13.115 1.00 0.00 C ATOM 1071 CG PHE A 73 5.842 9.063 11.661 1.00 0.00 C ATOM 1072 CD1 PHE A 73 5.984 7.749 11.244 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.591 10.040 10.711 1.00 0.00 C ATOM 1074 CE1 PHE A 73 5.878 7.417 9.907 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.484 9.713 9.372 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.626 8.400 8.970 1.00 0.00 C ATOM 0 H PHE A 73 7.583 7.423 13.328 1.00 0.00 H new ATOM 0 HA PHE A 73 7.901 10.341 13.141 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.415 8.686 13.708 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.478 10.385 13.283 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.180 6.976 11.972 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.478 11.069 11.020 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.992 6.389 9.595 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.290 10.484 8.641 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.540 8.142 7.925 1.00 0.00 H new ATOM 1086 N GLY A 74 7.645 8.611 15.859 1.00 0.00 N ATOM 1087 CA GLY A 74 7.684 8.691 17.308 1.00 0.00 C ATOM 1088 C GLY A 74 8.893 9.452 17.814 1.00 0.00 C ATOM 1089 O GLY A 74 8.769 10.333 18.665 1.00 0.00 O ATOM 0 H GLY A 74 7.798 7.678 15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.777 9.177 17.667 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.692 7.684 17.724 1.00 0.00 H new ATOM 1093 N SER A 75 10.067 9.111 17.292 1.00 0.00 N ATOM 1094 CA SER A 75 11.305 9.765 17.701 1.00 0.00 C ATOM 1095 C SER A 75 11.302 11.235 17.294 1.00 0.00 C ATOM 1096 O SER A 75 11.380 12.125 18.139 1.00 0.00 O ATOM 1097 CB SER A 75 12.510 9.054 17.081 1.00 0.00 C ATOM 1098 OG SER A 75 12.578 7.703 17.504 1.00 0.00 O ATOM 0 H SER A 75 10.187 8.386 16.585 1.00 0.00 H new ATOM 0 HA SER A 75 11.377 9.707 18.787 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.441 9.095 15.994 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.427 9.573 17.362 1.00 0.00 H new ATOM 0 HG SER A 75 13.355 7.270 17.093 1.00 0.00 H new ATOM 1104 N GLY A 76 11.213 11.482 15.990 1.00 0.00 N ATOM 1105 CA GLY A 76 11.202 12.845 15.492 1.00 0.00 C ATOM 1106 C GLY A 76 9.800 13.412 15.384 1.00 0.00 C ATOM 1107 O GLY A 76 8.813 12.678 15.335 1.00 0.00 O ATOM 0 H GLY A 76 11.148 10.762 15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.795 13.475 16.154 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.679 12.874 14.512 1.00 0.00 H new ATOM 1111 N PRO A 77 9.700 14.749 15.347 1.00 0.00 N ATOM 1112 CA PRO A 77 8.413 15.443 15.244 1.00 0.00 C ATOM 1113 C PRO A 77 7.761 15.258 13.878 1.00 0.00 C ATOM 1114 O PRO A 77 8.227 15.806 12.879 1.00 0.00 O ATOM 1115 CB PRO A 77 8.784 16.912 15.465 1.00 0.00 C ATOM 1116 CG PRO A 77 10.211 17.008 15.051 1.00 0.00 C ATOM 1117 CD PRO A 77 10.835 15.685 15.401 1.00 0.00 C ATOM 0 HA PRO A 77 7.685 15.060 15.960 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.154 17.573 14.870 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.654 17.201 16.508 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.295 17.208 13.983 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.713 17.825 15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.617 15.410 14.694 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.293 15.705 16.390 1.00 0.00 H new ATOM 1125 N SER A 78 6.682 14.484 13.842 1.00 0.00 N ATOM 1126 CA SER A 78 5.968 14.224 12.598 1.00 0.00 C ATOM 1127 C SER A 78 5.796 15.508 11.792 1.00 0.00 C ATOM 1128 O SER A 78 5.624 16.589 12.355 1.00 0.00 O ATOM 1129 CB SER A 78 4.600 13.604 12.889 1.00 0.00 C ATOM 1130 OG SER A 78 3.999 13.114 11.703 1.00 0.00 O ATOM 0 H SER A 78 6.283 14.025 14.661 1.00 0.00 H new ATOM 0 HA SER A 78 6.559 13.522 12.009 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.711 12.791 13.607 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.950 14.349 13.349 1.00 0.00 H new ATOM 0 HG SER A 78 3.127 12.721 11.916 1.00 0.00 H new ATOM 1136 N SER A 79 5.843 15.381 10.470 1.00 0.00 N ATOM 1137 CA SER A 79 5.696 16.531 9.585 1.00 0.00 C ATOM 1138 C SER A 79 4.238 16.722 9.181 1.00 0.00 C ATOM 1139 O SER A 79 3.640 17.764 9.447 1.00 0.00 O ATOM 1140 CB SER A 79 6.565 16.355 8.338 1.00 0.00 C ATOM 1141 OG SER A 79 6.346 17.406 7.413 1.00 0.00 O ATOM 0 H SER A 79 5.982 14.493 9.988 1.00 0.00 H new ATOM 0 HA SER A 79 6.024 17.419 10.125 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.617 16.331 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.341 15.398 7.866 1.00 0.00 H new ATOM 0 HG SER A 79 6.914 17.272 6.625 1.00 0.00 H new ATOM 1147 N GLY A 80 3.671 15.708 8.535 1.00 0.00 N ATOM 1148 CA GLY A 80 2.288 15.783 8.103 1.00 0.00 C ATOM 1149 C GLY A 80 1.852 14.552 7.333 1.00 0.00 C ATOM 1150 O GLY A 80 1.169 14.690 6.320 1.00 0.00 O ATOM 0 H GLY A 80 4.145 14.835 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.645 15.909 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.154 16.665 7.477 1.00 0.00 H new TER 1154 GLY A 80 HETATM 1155 ZN ZN A 201 -0.888 -12.483 0.869 1.00 0.00 ZN HETATM 1156 ZN ZN A 401 8.292 -2.262 12.092 1.00 0.00 ZN