USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 648 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 48 LYS NZ :NH3+ -125:sc= -0.226 (180deg=-0.542) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.83 X(o=-1.1,f=-1.1) USER MOD Set 2.1: A 25 TYR OH : rot 130:sc= -0.656 USER MOD Set 2.2: A 29 ASN : amide:sc= -2.16! C(o=-2.8!,f=-5!) USER MOD Set 3.1: A 10 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 3.2: A 57 ASN : amide:sc= -1.4 X(o=-1.4,f=-0.9) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0154 (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 10:sc= 0.32 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 0.648 (180deg=0.229) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0992 X(o=-0.099,f=-0.27) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 18 GLN : amide:sc= -0.996! X(o=-1!,f=-0.78) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -131:sc= -0.533 (180deg=-2.32!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 97:sc= 0.0232 USER MOD Single : A 30 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.024) USER MOD Single : A 31 ASN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.146 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.644 K(o=-0.64,f=-0.013) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0736) USER MOD Single : A 65 ASN : amide:sc=-0.00157 K(o=-0.0016,f=-0.58) USER MOD Single : A 69 GLN : amide:sc= -0.0277 K(o=-0.028,f=-1.1!) USER MOD Single : A 71 ASN : amide:sc= -0.604 K(o=-0.6,f=0.82) USER MOD Single : A 75 SER OG : rot 180:sc= 0 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 6.305 -17.033 -9.425 1.00 0.00 N ATOM 2 CA GLY A 1 6.122 -16.860 -10.854 1.00 0.00 C ATOM 3 C GLY A 1 5.062 -15.828 -11.181 1.00 0.00 C ATOM 4 O GLY A 1 4.066 -15.701 -10.467 1.00 0.00 O ATOM 0 H1 GLY A 1 7.180 -16.556 -9.127 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.496 -16.620 -8.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.371 -18.047 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.068 -16.560 -11.305 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.845 -17.815 -11.300 1.00 0.00 H new ATOM 8 N SER A 2 5.274 -15.086 -12.265 1.00 0.00 N ATOM 9 CA SER A 2 4.331 -14.056 -12.682 1.00 0.00 C ATOM 10 C SER A 2 4.060 -14.142 -14.181 1.00 0.00 C ATOM 11 O SER A 2 4.929 -14.542 -14.958 1.00 0.00 O ATOM 12 CB SER A 2 4.869 -12.669 -12.328 1.00 0.00 C ATOM 13 OG SER A 2 3.918 -11.661 -12.625 1.00 0.00 O ATOM 0 H SER A 2 6.090 -15.180 -12.869 1.00 0.00 H new ATOM 0 HA SER A 2 3.393 -14.220 -12.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.122 -12.633 -11.268 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.789 -12.480 -12.882 1.00 0.00 H new ATOM 0 HG SER A 2 4.286 -10.784 -12.388 1.00 0.00 H new ATOM 19 N SER A 3 2.850 -13.764 -14.581 1.00 0.00 N ATOM 20 CA SER A 3 2.463 -13.802 -15.986 1.00 0.00 C ATOM 21 C SER A 3 2.402 -12.394 -16.571 1.00 0.00 C ATOM 22 O SER A 3 3.125 -12.067 -17.510 1.00 0.00 O ATOM 23 CB SER A 3 1.107 -14.493 -16.145 1.00 0.00 C ATOM 24 OG SER A 3 1.129 -15.794 -15.584 1.00 0.00 O ATOM 0 H SER A 3 2.121 -13.428 -13.952 1.00 0.00 H new ATOM 0 HA SER A 3 3.218 -14.370 -16.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.333 -13.898 -15.661 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.848 -14.554 -17.202 1.00 0.00 H new ATOM 0 HG SER A 3 0.251 -16.214 -15.697 1.00 0.00 H new ATOM 30 N GLY A 4 1.531 -11.562 -16.005 1.00 0.00 N ATOM 31 CA GLY A 4 1.389 -10.200 -16.483 1.00 0.00 C ATOM 32 C GLY A 4 -0.044 -9.710 -16.420 1.00 0.00 C ATOM 33 O GLY A 4 -0.973 -10.503 -16.263 1.00 0.00 O ATOM 0 H GLY A 4 0.922 -11.808 -15.225 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.021 -9.541 -15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.745 -10.140 -17.511 1.00 0.00 H new ATOM 37 N SER A 5 -0.225 -8.398 -16.540 1.00 0.00 N ATOM 38 CA SER A 5 -1.555 -7.802 -16.491 1.00 0.00 C ATOM 39 C SER A 5 -1.610 -6.526 -17.325 1.00 0.00 C ATOM 40 O SER A 5 -0.604 -6.095 -17.888 1.00 0.00 O ATOM 41 CB SER A 5 -1.945 -7.496 -15.044 1.00 0.00 C ATOM 42 OG SER A 5 -2.313 -8.678 -14.354 1.00 0.00 O ATOM 0 H SER A 5 0.533 -7.728 -16.672 1.00 0.00 H new ATOM 0 HA SER A 5 -2.263 -8.518 -16.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.110 -7.018 -14.532 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.775 -6.789 -15.029 1.00 0.00 H new ATOM 0 HG SER A 5 -2.087 -9.460 -14.900 1.00 0.00 H new ATOM 48 N SER A 6 -2.794 -5.926 -17.400 1.00 0.00 N ATOM 49 CA SER A 6 -2.982 -4.701 -18.169 1.00 0.00 C ATOM 50 C SER A 6 -2.585 -3.478 -17.348 1.00 0.00 C ATOM 51 O SER A 6 -1.716 -2.704 -17.747 1.00 0.00 O ATOM 52 CB SER A 6 -4.440 -4.576 -18.619 1.00 0.00 C ATOM 53 OG SER A 6 -4.808 -5.655 -19.460 1.00 0.00 O ATOM 0 H SER A 6 -3.637 -6.268 -16.938 1.00 0.00 H new ATOM 0 HA SER A 6 -2.340 -4.751 -19.048 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.093 -4.552 -17.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.581 -3.634 -19.148 1.00 0.00 H new ATOM 0 HG SER A 6 -5.744 -5.553 -19.732 1.00 0.00 H new ATOM 59 N GLY A 7 -3.229 -3.311 -16.196 1.00 0.00 N ATOM 60 CA GLY A 7 -2.929 -2.181 -15.336 1.00 0.00 C ATOM 61 C GLY A 7 -3.465 -2.365 -13.931 1.00 0.00 C ATOM 62 O GLY A 7 -2.977 -3.206 -13.176 1.00 0.00 O ATOM 0 H GLY A 7 -3.952 -3.938 -15.844 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.849 -2.037 -15.294 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.355 -1.276 -15.769 1.00 0.00 H new ATOM 66 N LYS A 8 -4.472 -1.573 -13.575 1.00 0.00 N ATOM 67 CA LYS A 8 -5.075 -1.651 -12.250 1.00 0.00 C ATOM 68 C LYS A 8 -6.306 -2.552 -12.264 1.00 0.00 C ATOM 69 O LYS A 8 -7.037 -2.603 -13.253 1.00 0.00 O ATOM 70 CB LYS A 8 -5.459 -0.252 -11.759 1.00 0.00 C ATOM 71 CG LYS A 8 -6.597 0.377 -12.545 1.00 0.00 C ATOM 72 CD LYS A 8 -7.948 0.033 -11.941 1.00 0.00 C ATOM 73 CE LYS A 8 -9.038 0.968 -12.445 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.231 0.959 -11.556 1.00 0.00 N ATOM 0 H LYS A 8 -4.887 -0.870 -14.186 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.340 -2.080 -11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.743 -0.310 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.585 0.397 -11.818 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.472 1.460 -12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.561 0.032 -13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.207 -0.996 -12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.888 0.094 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.644 1.982 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.333 0.672 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.089 1.104 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.292 0.044 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.147 1.723 -10.855 1.00 0.00 H new ATOM 88 N ARG A 9 -6.529 -3.259 -11.161 1.00 0.00 N ATOM 89 CA ARG A 9 -7.672 -4.158 -11.047 1.00 0.00 C ATOM 90 C ARG A 9 -8.562 -3.759 -9.874 1.00 0.00 C ATOM 91 O ARG A 9 -9.092 -4.614 -9.166 1.00 0.00 O ATOM 92 CB ARG A 9 -7.196 -5.601 -10.874 1.00 0.00 C ATOM 93 CG ARG A 9 -6.307 -5.808 -9.658 1.00 0.00 C ATOM 94 CD ARG A 9 -6.432 -7.222 -9.112 1.00 0.00 C ATOM 95 NE ARG A 9 -7.783 -7.507 -8.637 1.00 0.00 N ATOM 96 CZ ARG A 9 -8.206 -8.725 -8.315 1.00 0.00 C ATOM 97 NH1 ARG A 9 -7.387 -9.763 -8.414 1.00 0.00 N ATOM 98 NH2 ARG A 9 -9.450 -8.905 -7.891 1.00 0.00 N ATOM 0 H ARG A 9 -5.934 -3.227 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.256 -4.083 -11.964 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.065 -6.254 -10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.651 -5.904 -11.768 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.269 -5.611 -9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.577 -5.092 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.163 -7.936 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.724 -7.359 -8.295 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.437 -6.730 -8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.429 -9.628 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.715 -10.697 -8.166 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.082 -8.108 -7.812 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.774 -9.840 -7.644 1.00 0.00 H new ATOM 112 N MET A 10 -8.720 -2.454 -9.675 1.00 0.00 N ATOM 113 CA MET A 10 -9.547 -1.943 -8.587 1.00 0.00 C ATOM 114 C MET A 10 -11.006 -1.836 -9.017 1.00 0.00 C ATOM 115 O MET A 10 -11.377 -0.931 -9.766 1.00 0.00 O ATOM 116 CB MET A 10 -9.036 -0.576 -8.129 1.00 0.00 C ATOM 117 CG MET A 10 -7.679 -0.632 -7.446 1.00 0.00 C ATOM 118 SD MET A 10 -6.816 0.951 -7.485 1.00 0.00 S ATOM 119 CE MET A 10 -5.872 0.860 -5.966 1.00 0.00 C ATOM 0 H MET A 10 -8.287 -1.732 -10.252 1.00 0.00 H new ATOM 0 HA MET A 10 -9.483 -2.644 -7.755 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.972 0.087 -8.992 1.00 0.00 H new ATOM 0 HB3 MET A 10 -9.761 -0.137 -7.443 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.811 -0.944 -6.410 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.063 -1.389 -7.931 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.270 1.762 -5.857 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.553 0.773 -5.119 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.217 -0.011 -5.996 1.00 0.00 H new ATOM 129 N ARG A 11 -11.829 -2.765 -8.541 1.00 0.00 N ATOM 130 CA ARG A 11 -13.248 -2.775 -8.880 1.00 0.00 C ATOM 131 C ARG A 11 -14.106 -2.752 -7.619 1.00 0.00 C ATOM 132 O ARG A 11 -15.268 -2.343 -7.652 1.00 0.00 O ATOM 133 CB ARG A 11 -13.585 -4.009 -9.717 1.00 0.00 C ATOM 134 CG ARG A 11 -13.610 -5.301 -8.917 1.00 0.00 C ATOM 135 CD ARG A 11 -14.983 -5.557 -8.315 1.00 0.00 C ATOM 136 NE ARG A 11 -15.122 -6.928 -7.833 1.00 0.00 N ATOM 137 CZ ARG A 11 -15.153 -7.989 -8.632 1.00 0.00 C ATOM 138 NH1 ARG A 11 -15.054 -7.835 -9.946 1.00 0.00 N ATOM 139 NH2 ARG A 11 -15.282 -9.205 -8.119 1.00 0.00 N ATOM 0 H ARG A 11 -11.538 -3.520 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.464 -1.880 -9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.558 -3.864 -10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.854 -4.103 -10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.333 -6.135 -9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.866 -5.252 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.152 -4.864 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.750 -5.356 -9.063 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.200 -7.080 -6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.954 -6.901 -10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.078 -8.650 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.358 -9.327 -7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.306 -10.018 -8.734 1.00 0.00 H new ATOM 153 N THR A 12 -13.527 -3.194 -6.506 1.00 0.00 N ATOM 154 CA THR A 12 -14.240 -3.226 -5.235 1.00 0.00 C ATOM 155 C THR A 12 -13.539 -2.365 -4.190 1.00 0.00 C ATOM 156 O THR A 12 -12.380 -2.601 -3.853 1.00 0.00 O ATOM 157 CB THR A 12 -14.366 -4.664 -4.698 1.00 0.00 C ATOM 158 OG1 THR A 12 -15.120 -4.668 -3.480 1.00 0.00 O ATOM 159 CG2 THR A 12 -12.994 -5.272 -4.452 1.00 0.00 C ATOM 0 H THR A 12 -12.567 -3.534 -6.460 1.00 0.00 H new ATOM 0 HA THR A 12 -15.237 -2.827 -5.421 1.00 0.00 H new ATOM 0 HB THR A 12 -14.883 -5.264 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.197 -5.586 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.109 -6.288 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.433 -5.295 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.455 -4.670 -3.720 1.00 0.00 H new ATOM 167 N SER A 13 -14.252 -1.364 -3.681 1.00 0.00 N ATOM 168 CA SER A 13 -13.696 -0.465 -2.676 1.00 0.00 C ATOM 169 C SER A 13 -13.422 -1.210 -1.373 1.00 0.00 C ATOM 170 O SER A 13 -14.224 -2.035 -0.935 1.00 0.00 O ATOM 171 CB SER A 13 -14.654 0.700 -2.419 1.00 0.00 C ATOM 172 OG SER A 13 -14.937 1.401 -3.618 1.00 0.00 O ATOM 0 H SER A 13 -15.214 -1.156 -3.948 1.00 0.00 H new ATOM 0 HA SER A 13 -12.752 -0.074 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.581 0.324 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.216 1.382 -1.690 1.00 0.00 H new ATOM 0 HG SER A 13 -15.552 2.139 -3.428 1.00 0.00 H new ATOM 178 N PHE A 14 -12.281 -0.913 -0.758 1.00 0.00 N ATOM 179 CA PHE A 14 -11.900 -1.554 0.495 1.00 0.00 C ATOM 180 C PHE A 14 -12.584 -0.882 1.681 1.00 0.00 C ATOM 181 O PHE A 14 -13.068 0.245 1.576 1.00 0.00 O ATOM 182 CB PHE A 14 -10.380 -1.507 0.674 1.00 0.00 C ATOM 183 CG PHE A 14 -9.633 -2.343 -0.325 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.839 -3.711 -0.395 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.724 -1.761 -1.193 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.152 -4.484 -1.314 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.035 -2.528 -2.114 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.249 -3.892 -2.173 1.00 0.00 C ATOM 0 H PHE A 14 -11.605 -0.233 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 14 -12.223 -2.594 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.045 -0.473 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.130 -1.846 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.544 -4.180 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.551 -0.696 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.322 -5.550 -1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.330 -2.062 -2.787 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.710 -4.494 -2.890 1.00 0.00 H new ATOM 198 N LYS A 15 -12.622 -1.582 2.809 1.00 0.00 N ATOM 199 CA LYS A 15 -13.245 -1.054 4.018 1.00 0.00 C ATOM 200 C LYS A 15 -12.271 -0.173 4.792 1.00 0.00 C ATOM 201 O LYS A 15 -11.058 -0.246 4.593 1.00 0.00 O ATOM 202 CB LYS A 15 -13.731 -2.201 4.907 1.00 0.00 C ATOM 203 CG LYS A 15 -14.615 -3.202 4.183 1.00 0.00 C ATOM 204 CD LYS A 15 -15.979 -2.613 3.867 1.00 0.00 C ATOM 205 CE LYS A 15 -16.862 -2.555 5.104 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.905 -1.498 4.991 1.00 0.00 N ATOM 0 H LYS A 15 -12.229 -2.517 2.912 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.099 -0.445 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.866 -2.723 5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.282 -1.786 5.751 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.130 -3.516 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.736 -4.094 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.857 -1.610 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.466 -3.213 3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.340 -3.523 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.245 -2.364 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.486 -1.490 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.448 -0.571 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.510 -1.694 4.168 1.00 0.00 H new ATOM 220 N HIS A 16 -12.810 0.660 5.678 1.00 0.00 N ATOM 221 CA HIS A 16 -11.988 1.555 6.484 1.00 0.00 C ATOM 222 C HIS A 16 -11.362 0.808 7.658 1.00 0.00 C ATOM 223 O HIS A 16 -10.510 1.345 8.367 1.00 0.00 O ATOM 224 CB HIS A 16 -12.825 2.727 6.998 1.00 0.00 C ATOM 225 CG HIS A 16 -12.928 3.862 6.026 1.00 0.00 C ATOM 226 ND1 HIS A 16 -11.837 4.390 5.368 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.001 4.567 5.599 1.00 0.00 C ATOM 228 CE1 HIS A 16 -12.235 5.373 4.581 1.00 0.00 C ATOM 229 NE2 HIS A 16 -13.545 5.501 4.702 1.00 0.00 N ATOM 0 H HIS A 16 -13.812 0.733 5.855 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.187 1.940 5.852 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.827 2.370 7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.389 3.094 7.927 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.026 4.422 5.907 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.598 5.971 3.946 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.123 6.182 4.209 1.00 0.00 H new ATOM 238 N HIS A 17 -11.791 -0.434 7.859 1.00 0.00 N ATOM 239 CA HIS A 17 -11.273 -1.254 8.948 1.00 0.00 C ATOM 240 C HIS A 17 -10.009 -1.992 8.518 1.00 0.00 C ATOM 241 O HIS A 17 -8.927 -1.750 9.052 1.00 0.00 O ATOM 242 CB HIS A 17 -12.332 -2.259 9.406 1.00 0.00 C ATOM 243 CG HIS A 17 -13.353 -1.671 10.331 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.040 -1.165 11.574 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.690 -1.511 10.188 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.138 -0.718 12.156 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.154 -0.917 11.335 1.00 0.00 N ATOM 0 H HIS A 17 -12.495 -0.894 7.282 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.024 -0.595 9.779 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.838 -2.666 8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.838 -3.093 9.905 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -15.281 -1.798 9.331 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.196 -0.267 13.136 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.125 -0.669 11.523 1.00 0.00 H new ATOM 256 N GLN A 18 -10.155 -2.892 7.551 1.00 0.00 N ATOM 257 CA GLN A 18 -9.024 -3.666 7.051 1.00 0.00 C ATOM 258 C GLN A 18 -7.883 -2.748 6.623 1.00 0.00 C ATOM 259 O GLN A 18 -6.726 -2.966 6.986 1.00 0.00 O ATOM 260 CB GLN A 18 -9.458 -4.541 5.874 1.00 0.00 C ATOM 261 CG GLN A 18 -10.598 -3.948 5.062 1.00 0.00 C ATOM 262 CD GLN A 18 -10.551 -4.360 3.604 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.334 -5.199 3.159 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.628 -3.771 2.852 1.00 0.00 N ATOM 0 H GLN A 18 -11.044 -3.103 7.098 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.669 -4.306 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.603 -4.704 5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.761 -5.518 6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.548 -4.262 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.560 -2.861 5.130 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.000 -3.081 3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.548 -4.009 1.863 1.00 0.00 H new ATOM 273 N LEU A 19 -8.216 -1.720 5.849 1.00 0.00 N ATOM 274 CA LEU A 19 -7.219 -0.769 5.371 1.00 0.00 C ATOM 275 C LEU A 19 -6.494 -0.107 6.538 1.00 0.00 C ATOM 276 O LEU A 19 -5.269 0.020 6.530 1.00 0.00 O ATOM 277 CB LEU A 19 -7.882 0.298 4.498 1.00 0.00 C ATOM 278 CG LEU A 19 -7.965 -0.015 3.003 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.762 1.057 2.277 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.571 -0.140 2.407 1.00 0.00 C ATOM 0 H LEU A 19 -9.168 -1.524 5.540 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.488 -1.316 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.892 0.467 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.336 1.233 4.623 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.479 -0.968 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.810 0.818 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.772 1.099 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.276 2.024 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.649 -0.363 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.032 0.797 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.032 -0.944 2.908 1.00 0.00 H new ATOM 292 N ARG A 20 -7.256 0.309 7.544 1.00 0.00 N ATOM 293 CA ARG A 20 -6.687 0.956 8.719 1.00 0.00 C ATOM 294 C ARG A 20 -5.436 0.219 9.192 1.00 0.00 C ATOM 295 O ARG A 20 -4.487 0.835 9.679 1.00 0.00 O ATOM 296 CB ARG A 20 -7.717 1.011 9.848 1.00 0.00 C ATOM 297 CG ARG A 20 -7.189 1.644 11.125 1.00 0.00 C ATOM 298 CD ARG A 20 -8.297 2.335 11.905 1.00 0.00 C ATOM 299 NE ARG A 20 -9.055 1.397 12.727 1.00 0.00 N ATOM 300 CZ ARG A 20 -9.965 1.771 13.619 1.00 0.00 C ATOM 301 NH1 ARG A 20 -10.230 3.057 13.802 1.00 0.00 N ATOM 302 NH2 ARG A 20 -10.614 0.857 14.330 1.00 0.00 N ATOM 0 H ARG A 20 -8.271 0.209 7.568 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.408 1.973 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.587 1.572 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.057 -0.001 10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.727 0.878 11.748 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.411 2.366 10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.865 3.107 12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.972 2.835 11.210 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.876 0.400 12.610 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.734 3.762 13.257 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.930 3.341 14.488 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.414 -0.134 14.191 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.313 1.145 15.015 1.00 0.00 H new ATOM 316 N THR A 21 -5.443 -1.102 9.046 1.00 0.00 N ATOM 317 CA THR A 21 -4.312 -1.922 9.459 1.00 0.00 C ATOM 318 C THR A 21 -3.172 -1.833 8.451 1.00 0.00 C ATOM 319 O THR A 21 -2.005 -1.726 8.829 1.00 0.00 O ATOM 320 CB THR A 21 -4.720 -3.398 9.627 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.622 -3.534 10.731 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.497 -4.275 9.855 1.00 0.00 C ATOM 0 H THR A 21 -6.220 -1.627 8.645 1.00 0.00 H new ATOM 0 HA THR A 21 -3.975 -1.535 10.420 1.00 0.00 H new ATOM 0 HB THR A 21 -5.215 -3.722 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.878 -4.475 10.830 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.810 -5.313 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.825 -4.192 9.001 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.979 -3.949 10.757 1.00 0.00 H new ATOM 330 N MET A 22 -3.517 -1.880 7.169 1.00 0.00 N ATOM 331 CA MET A 22 -2.520 -1.802 6.107 1.00 0.00 C ATOM 332 C MET A 22 -1.916 -0.404 6.028 1.00 0.00 C ATOM 333 O MET A 22 -0.713 -0.225 6.217 1.00 0.00 O ATOM 334 CB MET A 22 -3.147 -2.176 4.762 1.00 0.00 C ATOM 335 CG MET A 22 -3.152 -3.672 4.489 1.00 0.00 C ATOM 336 SD MET A 22 -3.373 -4.057 2.741 1.00 0.00 S ATOM 337 CE MET A 22 -5.083 -3.579 2.503 1.00 0.00 C ATOM 0 H MET A 22 -4.478 -1.972 6.840 1.00 0.00 H new ATOM 0 HA MET A 22 -1.724 -2.509 6.339 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.172 -1.806 4.733 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.603 -1.671 3.964 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.214 -4.104 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.951 -4.140 5.064 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.617 -4.381 1.993 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.547 -3.392 3.472 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.127 -2.673 1.899 1.00 0.00 H new ATOM 347 N LYS A 23 -2.758 0.585 5.749 1.00 0.00 N ATOM 348 CA LYS A 23 -2.309 1.967 5.646 1.00 0.00 C ATOM 349 C LYS A 23 -1.221 2.264 6.674 1.00 0.00 C ATOM 350 O LYS A 23 -0.133 2.721 6.326 1.00 0.00 O ATOM 351 CB LYS A 23 -3.487 2.925 5.844 1.00 0.00 C ATOM 352 CG LYS A 23 -4.431 2.981 4.655 1.00 0.00 C ATOM 353 CD LYS A 23 -5.527 4.012 4.862 1.00 0.00 C ATOM 354 CE LYS A 23 -6.345 4.218 3.598 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.711 4.731 3.896 1.00 0.00 N ATOM 0 H LYS A 23 -3.757 0.454 5.590 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.893 2.114 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.047 2.621 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.102 3.926 6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.868 3.223 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.878 2.000 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.182 3.691 5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.083 4.960 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.829 4.920 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.422 3.274 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.236 4.858 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.213 4.050 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.639 5.644 4.389 1.00 0.00 H new ATOM 369 N SER A 24 -1.523 1.998 7.941 1.00 0.00 N ATOM 370 CA SER A 24 -0.571 2.239 9.020 1.00 0.00 C ATOM 371 C SER A 24 0.767 1.568 8.723 1.00 0.00 C ATOM 372 O SER A 24 1.827 2.168 8.902 1.00 0.00 O ATOM 373 CB SER A 24 -1.131 1.722 10.346 1.00 0.00 C ATOM 374 OG SER A 24 -2.088 2.620 10.881 1.00 0.00 O ATOM 0 H SER A 24 -2.418 1.616 8.246 1.00 0.00 H new ATOM 0 HA SER A 24 -0.409 3.314 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.590 0.745 10.194 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.318 1.585 11.059 1.00 0.00 H new ATOM 0 HG SER A 24 -2.989 2.319 10.641 1.00 0.00 H new ATOM 380 N TYR A 25 0.708 0.321 8.269 1.00 0.00 N ATOM 381 CA TYR A 25 1.914 -0.433 7.950 1.00 0.00 C ATOM 382 C TYR A 25 2.675 0.218 6.798 1.00 0.00 C ATOM 383 O TYR A 25 3.896 0.370 6.851 1.00 0.00 O ATOM 384 CB TYR A 25 1.558 -1.876 7.590 1.00 0.00 C ATOM 385 CG TYR A 25 2.765 -2.760 7.365 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.622 -2.538 6.294 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.048 -3.814 8.224 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.725 -3.343 6.084 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.150 -4.623 8.022 1.00 0.00 C ATOM 390 CZ TYR A 25 4.984 -4.384 6.951 1.00 0.00 C ATOM 391 OH TYR A 25 6.083 -5.187 6.746 1.00 0.00 O ATOM 0 H TYR A 25 -0.162 -0.189 8.114 1.00 0.00 H new ATOM 0 HA TYR A 25 2.556 -0.433 8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.950 -2.301 8.389 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.945 -1.876 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.423 -1.723 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.396 -4.005 9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.381 -3.158 5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.357 -5.438 8.700 1.00 0.00 H new ATOM 0 HH TYR A 25 6.593 -5.263 7.580 1.00 0.00 H new ATOM 401 N PHE A 26 1.944 0.599 5.756 1.00 0.00 N ATOM 402 CA PHE A 26 2.547 1.233 4.589 1.00 0.00 C ATOM 403 C PHE A 26 3.585 2.270 5.010 1.00 0.00 C ATOM 404 O PHE A 26 4.615 2.432 4.357 1.00 0.00 O ATOM 405 CB PHE A 26 1.470 1.894 3.728 1.00 0.00 C ATOM 406 CG PHE A 26 2.021 2.627 2.538 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.645 1.940 1.511 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.914 4.006 2.448 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.153 2.611 0.415 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.419 4.684 1.354 1.00 0.00 C ATOM 411 CZ PHE A 26 3.040 3.986 0.337 1.00 0.00 C ATOM 0 H PHE A 26 0.933 0.480 5.696 1.00 0.00 H new ATOM 0 HA PHE A 26 3.046 0.461 4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.772 1.131 3.384 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.901 2.591 4.343 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.736 0.865 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.431 4.557 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.637 2.062 -0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.328 5.759 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.437 4.514 -0.518 1.00 0.00 H new ATOM 421 N ALA A 27 3.304 2.969 6.104 1.00 0.00 N ATOM 422 CA ALA A 27 4.213 3.989 6.613 1.00 0.00 C ATOM 423 C ALA A 27 5.396 3.358 7.339 1.00 0.00 C ATOM 424 O ALA A 27 6.519 3.858 7.268 1.00 0.00 O ATOM 425 CB ALA A 27 3.471 4.942 7.539 1.00 0.00 C ATOM 0 H ALA A 27 2.454 2.848 6.655 1.00 0.00 H new ATOM 0 HA ALA A 27 4.600 4.552 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.162 5.698 7.912 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.663 5.427 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.056 4.384 8.379 1.00 0.00 H new ATOM 431 N ILE A 28 5.137 2.257 8.036 1.00 0.00 N ATOM 432 CA ILE A 28 6.183 1.557 8.775 1.00 0.00 C ATOM 433 C ILE A 28 7.187 0.914 7.825 1.00 0.00 C ATOM 434 O ILE A 28 8.394 1.116 7.955 1.00 0.00 O ATOM 435 CB ILE A 28 5.591 0.471 9.693 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.624 1.095 10.700 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.704 -0.276 10.412 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.777 0.079 11.435 1.00 0.00 C ATOM 0 H ILE A 28 4.213 1.830 8.105 1.00 0.00 H new ATOM 0 HA ILE A 28 6.692 2.301 9.388 1.00 0.00 H new ATOM 0 HB ILE A 28 5.037 -0.241 9.081 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.193 1.675 11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.969 1.793 10.178 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.271 -1.040 11.057 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.358 -0.748 9.679 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.281 0.424 11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.115 0.593 12.132 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.181 -0.485 10.718 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.424 -0.604 11.985 1.00 0.00 H new ATOM 450 N ASN A 29 6.682 0.138 6.872 1.00 0.00 N ATOM 451 CA ASN A 29 7.536 -0.534 5.900 1.00 0.00 C ATOM 452 C ASN A 29 6.886 -0.545 4.521 1.00 0.00 C ATOM 453 O ASN A 29 5.894 -1.240 4.294 1.00 0.00 O ATOM 454 CB ASN A 29 7.825 -1.968 6.351 1.00 0.00 C ATOM 455 CG ASN A 29 8.730 -2.706 5.384 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.243 -2.124 4.428 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.931 -3.996 5.629 1.00 0.00 N ATOM 0 H ASN A 29 5.685 -0.041 6.752 1.00 0.00 H new ATOM 0 HA ASN A 29 8.474 0.017 5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.289 -1.949 7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.885 -2.511 6.451 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.531 -4.545 5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.486 -4.438 6.433 1.00 0.00 H new ATOM 464 N HIS A 30 7.452 0.230 3.601 1.00 0.00 N ATOM 465 CA HIS A 30 6.928 0.309 2.241 1.00 0.00 C ATOM 466 C HIS A 30 7.074 -1.029 1.523 1.00 0.00 C ATOM 467 O HIS A 30 6.159 -1.478 0.835 1.00 0.00 O ATOM 468 CB HIS A 30 7.653 1.403 1.456 1.00 0.00 C ATOM 469 CG HIS A 30 7.820 2.679 2.222 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.049 3.246 2.482 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.902 3.500 2.786 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.882 4.359 3.173 1.00 0.00 C ATOM 473 NE2 HIS A 30 7.588 4.537 3.369 1.00 0.00 N ATOM 0 H HIS A 30 8.272 0.812 3.772 1.00 0.00 H new ATOM 0 HA HIS A 30 5.868 0.555 2.301 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.635 1.036 1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.100 1.609 0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.831 3.364 2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.669 5.012 3.519 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.167 5.318 3.872 1.00 0.00 H new ATOM 482 N ASN A 31 8.232 -1.661 1.689 1.00 0.00 N ATOM 483 CA ASN A 31 8.498 -2.947 1.056 1.00 0.00 C ATOM 484 C ASN A 31 8.515 -4.069 2.090 1.00 0.00 C ATOM 485 O ASN A 31 9.571 -4.511 2.546 1.00 0.00 O ATOM 486 CB ASN A 31 9.833 -2.906 0.311 1.00 0.00 C ATOM 487 CG ASN A 31 9.868 -1.824 -0.753 1.00 0.00 C ATOM 488 OD1 ASN A 31 10.720 -0.936 -0.722 1.00 0.00 O ATOM 489 ND2 ASN A 31 8.939 -1.896 -1.699 1.00 0.00 N ATOM 0 H ASN A 31 9.000 -1.303 2.256 1.00 0.00 H new ATOM 0 HA ASN A 31 7.698 -3.145 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.639 -2.736 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.017 -3.875 -0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.911 -1.197 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.253 -2.651 -1.684 1.00 0.00 H new ATOM 496 N PRO A 32 7.320 -4.542 2.471 1.00 0.00 N ATOM 497 CA PRO A 32 7.170 -5.619 3.453 1.00 0.00 C ATOM 498 C PRO A 32 7.641 -6.966 2.915 1.00 0.00 C ATOM 499 O PRO A 32 7.887 -7.114 1.718 1.00 0.00 O ATOM 500 CB PRO A 32 5.663 -5.648 3.722 1.00 0.00 C ATOM 501 CG PRO A 32 5.048 -5.085 2.488 1.00 0.00 C ATOM 502 CD PRO A 32 6.021 -4.063 1.968 1.00 0.00 C ATOM 0 HA PRO A 32 7.773 -5.443 4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.314 -6.663 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.406 -5.054 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.871 -5.866 1.749 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.083 -4.629 2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.006 -4.011 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.790 -3.064 2.338 1.00 0.00 H new ATOM 510 N ASP A 33 7.764 -7.944 3.806 1.00 0.00 N ATOM 511 CA ASP A 33 8.204 -9.279 3.418 1.00 0.00 C ATOM 512 C ASP A 33 7.046 -10.271 3.475 1.00 0.00 C ATOM 513 O ASP A 33 5.948 -9.932 3.914 1.00 0.00 O ATOM 514 CB ASP A 33 9.339 -9.749 4.329 1.00 0.00 C ATOM 515 CG ASP A 33 10.538 -8.821 4.285 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.345 -7.614 4.031 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.669 -9.302 4.506 1.00 0.00 O ATOM 0 H ASP A 33 7.565 -7.837 4.801 1.00 0.00 H new ATOM 0 HA ASP A 33 8.568 -9.231 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.974 -9.818 5.354 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.648 -10.751 4.032 1.00 0.00 H new ATOM 522 N ALA A 34 7.301 -11.496 3.028 1.00 0.00 N ATOM 523 CA ALA A 34 6.281 -12.537 3.030 1.00 0.00 C ATOM 524 C ALA A 34 5.655 -12.691 4.412 1.00 0.00 C ATOM 525 O ALA A 34 4.433 -12.655 4.559 1.00 0.00 O ATOM 526 CB ALA A 34 6.875 -13.859 2.568 1.00 0.00 C ATOM 0 H ALA A 34 8.205 -11.792 2.660 1.00 0.00 H new ATOM 0 HA ALA A 34 5.495 -12.241 2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.102 -14.627 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.268 -13.748 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.682 -14.150 3.241 1.00 0.00 H new ATOM 532 N LYS A 35 6.500 -12.864 5.423 1.00 0.00 N ATOM 533 CA LYS A 35 6.031 -13.023 6.794 1.00 0.00 C ATOM 534 C LYS A 35 5.036 -11.927 7.159 1.00 0.00 C ATOM 535 O LYS A 35 3.985 -12.198 7.741 1.00 0.00 O ATOM 536 CB LYS A 35 7.213 -12.998 7.765 1.00 0.00 C ATOM 537 CG LYS A 35 6.976 -13.801 9.032 1.00 0.00 C ATOM 538 CD LYS A 35 6.098 -13.047 10.016 1.00 0.00 C ATOM 539 CE LYS A 35 5.792 -13.885 11.247 1.00 0.00 C ATOM 540 NZ LYS A 35 4.696 -14.862 10.995 1.00 0.00 N ATOM 0 H LYS A 35 7.514 -12.898 5.318 1.00 0.00 H new ATOM 0 HA LYS A 35 5.527 -13.986 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.097 -13.386 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.429 -11.964 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.506 -14.751 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.932 -14.033 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.596 -12.125 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.166 -12.761 9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.691 -14.419 11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.512 -13.230 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.518 -15.414 11.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.831 -14.351 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.973 -15.504 10.225 1.00 0.00 H new ATOM 554 N ASP A 36 5.373 -10.689 6.814 1.00 0.00 N ATOM 555 CA ASP A 36 4.507 -9.552 7.104 1.00 0.00 C ATOM 556 C ASP A 36 3.206 -9.644 6.313 1.00 0.00 C ATOM 557 O ASP A 36 2.135 -9.302 6.816 1.00 0.00 O ATOM 558 CB ASP A 36 5.225 -8.242 6.777 1.00 0.00 C ATOM 559 CG ASP A 36 6.467 -8.036 7.623 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.323 -7.686 8.813 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.583 -8.222 7.094 1.00 0.00 O ATOM 0 H ASP A 36 6.240 -10.447 6.333 1.00 0.00 H new ATOM 0 HA ASP A 36 4.267 -9.571 8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.502 -8.236 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.541 -7.408 6.932 1.00 0.00 H new ATOM 566 N LEU A 37 3.306 -10.106 5.071 1.00 0.00 N ATOM 567 CA LEU A 37 2.137 -10.242 4.209 1.00 0.00 C ATOM 568 C LEU A 37 1.132 -11.222 4.805 1.00 0.00 C ATOM 569 O LEU A 37 -0.029 -10.880 5.027 1.00 0.00 O ATOM 570 CB LEU A 37 2.559 -10.711 2.815 1.00 0.00 C ATOM 571 CG LEU A 37 3.050 -9.622 1.861 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.703 -10.241 0.635 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.900 -8.712 1.454 1.00 0.00 C ATOM 0 H LEU A 37 4.184 -10.393 4.639 1.00 0.00 H new ATOM 0 HA LEU A 37 1.660 -9.265 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.351 -11.452 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.712 -11.217 2.352 1.00 0.00 H new ATOM 0 HG LEU A 37 3.797 -9.021 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.046 -9.451 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.553 -10.850 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.979 -10.867 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.268 -7.943 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.130 -9.300 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.477 -8.241 2.341 1.00 0.00 H new ATOM 585 N LYS A 38 1.586 -12.444 5.063 1.00 0.00 N ATOM 586 CA LYS A 38 0.729 -13.474 5.638 1.00 0.00 C ATOM 587 C LYS A 38 0.066 -12.979 6.918 1.00 0.00 C ATOM 588 O LYS A 38 -1.088 -13.302 7.195 1.00 0.00 O ATOM 589 CB LYS A 38 1.541 -14.739 5.927 1.00 0.00 C ATOM 590 CG LYS A 38 2.736 -14.499 6.834 1.00 0.00 C ATOM 591 CD LYS A 38 3.233 -15.794 7.454 1.00 0.00 C ATOM 592 CE LYS A 38 4.216 -16.510 6.541 1.00 0.00 C ATOM 593 NZ LYS A 38 4.662 -17.809 7.116 1.00 0.00 N ATOM 0 H LYS A 38 2.544 -12.745 4.883 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.051 -13.708 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.889 -15.482 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.890 -15.161 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.540 -14.036 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.461 -13.799 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.712 -15.580 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.386 -16.448 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.750 -16.683 5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.083 -15.872 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.331 -18.266 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.129 -17.642 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.838 -18.428 7.256 1.00 0.00 H new ATOM 607 N GLN A 39 0.803 -12.191 7.695 1.00 0.00 N ATOM 608 CA GLN A 39 0.285 -11.651 8.946 1.00 0.00 C ATOM 609 C GLN A 39 -0.869 -10.687 8.686 1.00 0.00 C ATOM 610 O GLN A 39 -1.878 -10.706 9.392 1.00 0.00 O ATOM 611 CB GLN A 39 1.396 -10.937 9.718 1.00 0.00 C ATOM 612 CG GLN A 39 2.295 -11.881 10.501 1.00 0.00 C ATOM 613 CD GLN A 39 3.073 -11.174 11.594 1.00 0.00 C ATOM 614 OE1 GLN A 39 2.894 -11.456 12.779 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.940 -10.250 11.199 1.00 0.00 N ATOM 0 H GLN A 39 1.760 -11.913 7.480 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.087 -12.483 9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.005 -10.366 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.947 -10.221 10.407 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.688 -12.670 10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.993 -12.363 9.817 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.055 -10.050 10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.492 -9.740 11.889 1.00 0.00 H new ATOM 624 N LEU A 40 -0.713 -9.846 7.670 1.00 0.00 N ATOM 625 CA LEU A 40 -1.742 -8.874 7.317 1.00 0.00 C ATOM 626 C LEU A 40 -2.989 -9.572 6.784 1.00 0.00 C ATOM 627 O LEU A 40 -4.109 -9.249 7.178 1.00 0.00 O ATOM 628 CB LEU A 40 -1.207 -7.894 6.272 1.00 0.00 C ATOM 629 CG LEU A 40 -0.346 -6.749 6.806 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.477 -6.132 5.685 1.00 0.00 C ATOM 631 CD2 LEU A 40 -1.215 -5.694 7.474 1.00 0.00 C ATOM 0 H LEU A 40 0.116 -9.817 7.076 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.013 -8.324 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.620 -8.454 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.055 -7.466 5.737 1.00 0.00 H new ATOM 0 HG LEU A 40 0.338 -7.153 7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.083 -5.319 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.128 -6.891 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.190 -5.743 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.585 -4.887 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.924 -5.294 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.759 -6.144 8.304 1.00 0.00 H new ATOM 643 N ALA A 41 -2.787 -10.531 5.886 1.00 0.00 N ATOM 644 CA ALA A 41 -3.896 -11.277 5.302 1.00 0.00 C ATOM 645 C ALA A 41 -4.928 -11.645 6.362 1.00 0.00 C ATOM 646 O ALA A 41 -6.101 -11.852 6.053 1.00 0.00 O ATOM 647 CB ALA A 41 -3.381 -12.527 4.605 1.00 0.00 C ATOM 0 H ALA A 41 -1.866 -10.810 5.547 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.384 -10.639 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.219 -13.074 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.687 -12.243 3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.867 -13.161 5.328 1.00 0.00 H new ATOM 653 N GLN A 42 -4.483 -11.726 7.611 1.00 0.00 N ATOM 654 CA GLN A 42 -5.369 -12.072 8.717 1.00 0.00 C ATOM 655 C GLN A 42 -5.963 -10.819 9.351 1.00 0.00 C ATOM 656 O GLN A 42 -7.163 -10.754 9.616 1.00 0.00 O ATOM 657 CB GLN A 42 -4.613 -12.882 9.771 1.00 0.00 C ATOM 658 CG GLN A 42 -4.282 -14.298 9.330 1.00 0.00 C ATOM 659 CD GLN A 42 -5.434 -15.261 9.545 1.00 0.00 C ATOM 660 OE1 GLN A 42 -6.384 -15.294 8.763 1.00 0.00 O ATOM 661 NE2 GLN A 42 -5.354 -16.050 10.610 1.00 0.00 N ATOM 0 H GLN A 42 -3.515 -11.557 7.883 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.184 -12.678 8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.688 -12.363 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.211 -12.925 10.682 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.011 -14.292 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.410 -14.652 9.881 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.547 -15.988 11.231 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.099 -16.718 10.807 1.00 0.00 H new ATOM 670 N LYS A 43 -5.115 -9.825 9.591 1.00 0.00 N ATOM 671 CA LYS A 43 -5.555 -8.572 10.193 1.00 0.00 C ATOM 672 C LYS A 43 -6.607 -7.891 9.324 1.00 0.00 C ATOM 673 O LYS A 43 -7.485 -7.187 9.829 1.00 0.00 O ATOM 674 CB LYS A 43 -4.363 -7.635 10.398 1.00 0.00 C ATOM 675 CG LYS A 43 -3.272 -8.220 11.278 1.00 0.00 C ATOM 676 CD LYS A 43 -2.161 -7.216 11.532 1.00 0.00 C ATOM 677 CE LYS A 43 -0.907 -7.895 12.062 1.00 0.00 C ATOM 678 NZ LYS A 43 0.313 -7.078 11.813 1.00 0.00 N ATOM 0 H LYS A 43 -4.118 -9.863 9.378 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.001 -8.800 11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.938 -7.384 9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.716 -6.704 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.701 -8.537 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.858 -9.109 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.927 -6.689 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.502 -6.468 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.014 -8.071 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.794 -8.870 11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.146 -7.575 12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.430 -6.931 10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.217 -6.157 12.286 1.00 0.00 H new ATOM 692 N THR A 44 -6.516 -8.105 8.015 1.00 0.00 N ATOM 693 CA THR A 44 -7.460 -7.512 7.077 1.00 0.00 C ATOM 694 C THR A 44 -8.421 -8.560 6.527 1.00 0.00 C ATOM 695 O THR A 44 -9.582 -8.265 6.245 1.00 0.00 O ATOM 696 CB THR A 44 -6.733 -6.833 5.901 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.049 -7.815 5.115 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.738 -5.798 6.405 1.00 0.00 C ATOM 0 H THR A 44 -5.798 -8.685 7.581 1.00 0.00 H new ATOM 0 HA THR A 44 -8.023 -6.760 7.630 1.00 0.00 H new ATOM 0 HB THR A 44 -7.478 -6.329 5.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.398 -8.287 5.675 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.237 -5.332 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.265 -5.036 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.998 -6.284 7.041 1.00 0.00 H new ATOM 706 N GLY A 45 -7.930 -9.787 6.379 1.00 0.00 N ATOM 707 CA GLY A 45 -8.760 -10.861 5.865 1.00 0.00 C ATOM 708 C GLY A 45 -8.514 -11.128 4.392 1.00 0.00 C ATOM 709 O GLY A 45 -8.887 -12.181 3.875 1.00 0.00 O ATOM 0 H GLY A 45 -6.973 -10.056 6.606 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.566 -11.770 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.810 -10.609 6.015 1.00 0.00 H new ATOM 713 N LEU A 46 -7.887 -10.171 3.716 1.00 0.00 N ATOM 714 CA LEU A 46 -7.595 -10.308 2.293 1.00 0.00 C ATOM 715 C LEU A 46 -6.490 -11.334 2.061 1.00 0.00 C ATOM 716 O LEU A 46 -5.826 -11.773 3.001 1.00 0.00 O ATOM 717 CB LEU A 46 -7.182 -8.957 1.706 1.00 0.00 C ATOM 718 CG LEU A 46 -8.068 -7.767 2.074 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.314 -6.460 1.882 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.343 -7.775 1.244 1.00 0.00 C ATOM 0 H LEU A 46 -7.572 -9.293 4.129 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.499 -10.655 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.164 -8.740 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.161 -9.046 0.620 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.341 -7.854 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.961 -5.624 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.430 -6.453 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.010 -6.365 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.962 -6.921 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.089 -7.713 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.893 -8.697 1.431 1.00 0.00 H new ATOM 732 N THR A 47 -6.297 -11.713 0.800 1.00 0.00 N ATOM 733 CA THR A 47 -5.273 -12.686 0.444 1.00 0.00 C ATOM 734 C THR A 47 -3.942 -12.002 0.150 1.00 0.00 C ATOM 735 O THR A 47 -3.889 -10.792 -0.066 1.00 0.00 O ATOM 736 CB THR A 47 -5.691 -13.517 -0.784 1.00 0.00 C ATOM 737 OG1 THR A 47 -5.006 -14.774 -0.782 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.385 -12.769 -2.073 1.00 0.00 C ATOM 0 H THR A 47 -6.837 -11.360 0.010 1.00 0.00 H new ATOM 0 HA THR A 47 -5.156 -13.349 1.301 1.00 0.00 H new ATOM 0 HB THR A 47 -6.766 -13.690 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.279 -15.296 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.689 -13.375 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.932 -11.826 -2.085 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.315 -12.569 -2.132 1.00 0.00 H new ATOM 746 N LYS A 48 -2.869 -12.785 0.146 1.00 0.00 N ATOM 747 CA LYS A 48 -1.537 -12.256 -0.122 1.00 0.00 C ATOM 748 C LYS A 48 -1.535 -11.403 -1.386 1.00 0.00 C ATOM 749 O LYS A 48 -1.088 -10.256 -1.371 1.00 0.00 O ATOM 750 CB LYS A 48 -0.530 -13.400 -0.265 1.00 0.00 C ATOM 751 CG LYS A 48 0.901 -12.992 0.036 1.00 0.00 C ATOM 752 CD LYS A 48 1.725 -14.170 0.526 1.00 0.00 C ATOM 753 CE LYS A 48 3.217 -13.875 0.458 1.00 0.00 C ATOM 754 NZ LYS A 48 3.676 -13.664 -0.944 1.00 0.00 N ATOM 0 H LYS A 48 -2.896 -13.789 0.325 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.247 -11.628 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.816 -14.211 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.581 -13.793 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.358 -12.575 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.905 -12.205 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.447 -14.408 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.499 -15.049 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.439 -12.988 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.772 -14.702 0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.459 -14.315 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.889 -13.847 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.001 -12.683 -1.059 1.00 0.00 H new ATOM 768 N ARG A 49 -2.038 -11.969 -2.478 1.00 0.00 N ATOM 769 CA ARG A 49 -2.094 -11.260 -3.751 1.00 0.00 C ATOM 770 C ARG A 49 -2.658 -9.854 -3.565 1.00 0.00 C ATOM 771 O ARG A 49 -1.936 -8.863 -3.680 1.00 0.00 O ATOM 772 CB ARG A 49 -2.949 -12.035 -4.754 1.00 0.00 C ATOM 773 CG ARG A 49 -2.944 -11.435 -6.151 1.00 0.00 C ATOM 774 CD ARG A 49 -1.629 -11.704 -6.866 1.00 0.00 C ATOM 775 NE ARG A 49 -1.782 -11.680 -8.319 1.00 0.00 N ATOM 776 CZ ARG A 49 -2.357 -12.656 -9.013 1.00 0.00 C ATOM 777 NH1 ARG A 49 -2.833 -13.725 -8.391 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.460 -12.561 -10.333 1.00 0.00 N ATOM 0 H ARG A 49 -2.413 -12.917 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.078 -11.178 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.589 -13.062 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.975 -12.075 -4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.767 -11.853 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.112 -10.360 -6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.894 -10.957 -6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.241 -12.675 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.428 -10.870 -8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.758 -13.800 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.274 -14.473 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.098 -11.738 -10.815 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.902 -13.311 -10.865 1.00 0.00 H new ATOM 792 N VAL A 50 -3.953 -9.775 -3.276 1.00 0.00 N ATOM 793 CA VAL A 50 -4.615 -8.491 -3.074 1.00 0.00 C ATOM 794 C VAL A 50 -3.724 -7.532 -2.289 1.00 0.00 C ATOM 795 O VAL A 50 -3.574 -6.366 -2.657 1.00 0.00 O ATOM 796 CB VAL A 50 -5.950 -8.659 -2.327 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.635 -7.313 -2.147 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.856 -9.632 -3.069 1.00 0.00 C ATOM 0 H VAL A 50 -4.565 -10.585 -3.176 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.810 -8.076 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.744 -9.070 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.577 -7.452 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.989 -6.650 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.830 -6.871 -3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.796 -9.739 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.056 -9.251 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.366 -10.603 -3.141 1.00 0.00 H new ATOM 808 N LEU A 51 -3.136 -8.031 -1.208 1.00 0.00 N ATOM 809 CA LEU A 51 -2.259 -7.219 -0.371 1.00 0.00 C ATOM 810 C LEU A 51 -1.040 -6.746 -1.157 1.00 0.00 C ATOM 811 O LEU A 51 -0.654 -5.580 -1.079 1.00 0.00 O ATOM 812 CB LEU A 51 -1.811 -8.015 0.855 1.00 0.00 C ATOM 813 CG LEU A 51 -2.915 -8.415 1.836 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.498 -9.635 2.641 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.252 -7.254 2.760 1.00 0.00 C ATOM 0 H LEU A 51 -3.250 -8.993 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.819 -6.343 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.311 -8.921 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.069 -7.426 1.394 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.807 -8.671 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.296 -9.904 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.307 -10.469 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.592 -9.408 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.039 -7.556 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.364 -6.968 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.595 -6.405 2.168 1.00 0.00 H new ATOM 827 N GLN A 52 -0.441 -7.659 -1.916 1.00 0.00 N ATOM 828 CA GLN A 52 0.733 -7.334 -2.717 1.00 0.00 C ATOM 829 C GLN A 52 0.441 -6.174 -3.664 1.00 0.00 C ATOM 830 O GLN A 52 1.166 -5.180 -3.686 1.00 0.00 O ATOM 831 CB GLN A 52 1.186 -8.557 -3.514 1.00 0.00 C ATOM 832 CG GLN A 52 1.845 -9.630 -2.662 1.00 0.00 C ATOM 833 CD GLN A 52 2.842 -10.464 -3.441 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.564 -9.950 -4.297 1.00 0.00 O ATOM 835 NE2 GLN A 52 2.888 -11.758 -3.148 1.00 0.00 N ATOM 0 H GLN A 52 -0.749 -8.628 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 52 1.533 -7.034 -2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.324 -8.988 -4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.886 -8.238 -4.286 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.351 -9.159 -1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.076 -10.283 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.271 -12.141 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.540 -12.369 -3.639 1.00 0.00 H new ATOM 844 N VAL A 53 -0.625 -6.308 -4.446 1.00 0.00 N ATOM 845 CA VAL A 53 -1.013 -5.271 -5.395 1.00 0.00 C ATOM 846 C VAL A 53 -1.222 -3.935 -4.692 1.00 0.00 C ATOM 847 O VAL A 53 -0.518 -2.962 -4.967 1.00 0.00 O ATOM 848 CB VAL A 53 -2.304 -5.652 -6.145 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.669 -4.576 -7.157 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.145 -7.004 -6.824 1.00 0.00 C ATOM 0 H VAL A 53 -1.236 -7.125 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.199 -5.177 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.117 -5.728 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.583 -4.861 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.826 -3.629 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.860 -4.466 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.066 -7.258 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.322 -6.959 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.934 -7.766 -6.073 1.00 0.00 H new ATOM 860 N TRP A 54 -2.192 -3.893 -3.786 1.00 0.00 N ATOM 861 CA TRP A 54 -2.492 -2.675 -3.044 1.00 0.00 C ATOM 862 C TRP A 54 -1.212 -1.936 -2.667 1.00 0.00 C ATOM 863 O TRP A 54 -0.976 -0.816 -3.117 1.00 0.00 O ATOM 864 CB TRP A 54 -3.295 -3.005 -1.784 1.00 0.00 C ATOM 865 CG TRP A 54 -3.726 -1.791 -1.019 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.879 -1.079 -1.192 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.009 -1.145 0.039 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.922 -0.030 -0.306 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.788 -0.049 0.461 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.787 -1.387 0.673 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.381 0.802 1.485 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.385 -0.542 1.689 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.180 0.541 2.088 1.00 0.00 C ATOM 0 H TRP A 54 -2.784 -4.689 -3.548 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.087 -2.026 -3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.177 -3.581 -2.064 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.693 -3.640 -1.134 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.645 -1.307 -1.919 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.676 0.652 -0.232 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.168 -2.220 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.991 1.638 1.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.442 -0.719 2.184 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.838 1.182 2.887 1.00 0.00 H new ATOM 884 N PHE A 55 -0.389 -2.572 -1.840 1.00 0.00 N ATOM 885 CA PHE A 55 0.867 -1.976 -1.403 1.00 0.00 C ATOM 886 C PHE A 55 1.633 -1.390 -2.586 1.00 0.00 C ATOM 887 O PHE A 55 2.182 -0.293 -2.502 1.00 0.00 O ATOM 888 CB PHE A 55 1.729 -3.017 -0.688 1.00 0.00 C ATOM 889 CG PHE A 55 1.487 -3.082 0.794 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.381 -3.746 1.299 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.364 -2.478 1.680 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.153 -3.807 2.661 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.142 -2.537 3.043 1.00 0.00 C ATOM 894 CZ PHE A 55 1.035 -3.202 3.535 1.00 0.00 C ATOM 0 H PHE A 55 -0.570 -3.501 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 55 0.634 -1.169 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.535 -3.998 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.780 -2.791 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.311 -4.222 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.230 -1.956 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.714 -4.327 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.834 -2.063 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.860 -3.249 4.600 1.00 0.00 H new ATOM 904 N GLN A 56 1.663 -2.134 -3.688 1.00 0.00 N ATOM 905 CA GLN A 56 2.363 -1.690 -4.889 1.00 0.00 C ATOM 906 C GLN A 56 1.700 -0.449 -5.477 1.00 0.00 C ATOM 907 O GLN A 56 2.376 0.459 -5.958 1.00 0.00 O ATOM 908 CB GLN A 56 2.392 -2.810 -5.930 1.00 0.00 C ATOM 909 CG GLN A 56 3.354 -3.936 -5.587 1.00 0.00 C ATOM 910 CD GLN A 56 3.027 -5.225 -6.315 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.863 -5.237 -7.535 1.00 0.00 O ATOM 912 NE2 GLN A 56 2.929 -6.318 -5.567 1.00 0.00 N ATOM 0 H GLN A 56 1.212 -3.045 -3.774 1.00 0.00 H new ATOM 0 HA GLN A 56 3.386 -1.436 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.388 -3.221 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.669 -2.389 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.370 -3.630 -5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.330 -4.114 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.073 -6.261 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.710 -7.215 -6.001 1.00 0.00 H new ATOM 921 N ASN A 57 0.371 -0.417 -5.435 1.00 0.00 N ATOM 922 CA ASN A 57 -0.383 0.713 -5.966 1.00 0.00 C ATOM 923 C ASN A 57 -0.104 1.979 -5.161 1.00 0.00 C ATOM 924 O ASN A 57 -0.031 3.075 -5.715 1.00 0.00 O ATOM 925 CB ASN A 57 -1.882 0.405 -5.949 1.00 0.00 C ATOM 926 CG ASN A 57 -2.345 -0.280 -7.221 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.016 0.150 -8.326 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.113 -1.354 -7.069 1.00 0.00 N ATOM 0 H ASN A 57 -0.205 -1.160 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.064 0.880 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.110 -0.231 -5.093 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.439 1.332 -5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.454 -1.857 -7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.361 -1.675 -6.133 1.00 0.00 H new ATOM 935 N ALA A 58 0.050 1.818 -3.851 1.00 0.00 N ATOM 936 CA ALA A 58 0.324 2.948 -2.971 1.00 0.00 C ATOM 937 C ALA A 58 1.555 3.719 -3.433 1.00 0.00 C ATOM 938 O ALA A 58 1.482 4.919 -3.702 1.00 0.00 O ATOM 939 CB ALA A 58 0.507 2.468 -1.539 1.00 0.00 C ATOM 0 H ALA A 58 -0.010 0.917 -3.376 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.531 3.623 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.711 3.321 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.402 1.968 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.343 1.770 -1.493 1.00 0.00 H new ATOM 945 N ARG A 59 2.684 3.024 -3.525 1.00 0.00 N ATOM 946 CA ARG A 59 3.931 3.645 -3.954 1.00 0.00 C ATOM 947 C ARG A 59 3.693 4.584 -5.132 1.00 0.00 C ATOM 948 O ARG A 59 4.250 5.682 -5.187 1.00 0.00 O ATOM 949 CB ARG A 59 4.953 2.574 -4.339 1.00 0.00 C ATOM 950 CG ARG A 59 5.721 2.010 -3.155 1.00 0.00 C ATOM 951 CD ARG A 59 7.066 1.443 -3.582 1.00 0.00 C ATOM 952 NE ARG A 59 6.923 0.180 -4.301 1.00 0.00 N ATOM 953 CZ ARG A 59 7.952 -0.574 -4.672 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.191 -0.196 -4.391 1.00 0.00 N ATOM 955 NH2 ARG A 59 7.741 -1.711 -5.325 1.00 0.00 N ATOM 0 H ARG A 59 2.761 2.030 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 59 4.323 4.228 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.438 1.759 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.661 2.999 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.874 2.794 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.131 1.229 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.579 2.166 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.691 1.291 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 59 5.982 -0.141 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.357 0.676 -3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.979 -0.777 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.789 -2.005 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.531 -2.290 -5.610 1.00 0.00 H new ATOM 969 N ALA A 60 2.865 4.146 -6.074 1.00 0.00 N ATOM 970 CA ALA A 60 2.553 4.947 -7.251 1.00 0.00 C ATOM 971 C ALA A 60 1.732 6.177 -6.877 1.00 0.00 C ATOM 972 O ALA A 60 1.989 7.279 -7.360 1.00 0.00 O ATOM 973 CB ALA A 60 1.810 4.108 -8.280 1.00 0.00 C ATOM 0 H ALA A 60 2.398 3.240 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 60 3.492 5.288 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.584 4.720 -9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.432 3.264 -8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.881 3.738 -7.846 1.00 0.00 H new ATOM 979 N LYS A 61 0.743 5.980 -6.010 1.00 0.00 N ATOM 980 CA LYS A 61 -0.116 7.073 -5.570 1.00 0.00 C ATOM 981 C LYS A 61 0.689 8.129 -4.818 1.00 0.00 C ATOM 982 O LYS A 61 0.720 9.296 -5.211 1.00 0.00 O ATOM 983 CB LYS A 61 -1.236 6.539 -4.675 1.00 0.00 C ATOM 984 CG LYS A 61 -2.464 7.432 -4.638 1.00 0.00 C ATOM 985 CD LYS A 61 -3.690 6.676 -4.151 1.00 0.00 C ATOM 986 CE LYS A 61 -4.357 5.909 -5.282 1.00 0.00 C ATOM 987 NZ LYS A 61 -5.102 6.814 -6.202 1.00 0.00 N ATOM 0 H LYS A 61 0.517 5.074 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.554 7.536 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.528 5.549 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.854 6.419 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.276 8.283 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.654 7.832 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.401 5.983 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.402 7.377 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.601 5.361 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.042 5.170 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.729 6.250 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.670 7.484 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.427 7.340 -6.793 1.00 0.00 H new ATOM 1001 N PHE A 62 1.340 7.712 -3.738 1.00 0.00 N ATOM 1002 CA PHE A 62 2.146 8.622 -2.932 1.00 0.00 C ATOM 1003 C PHE A 62 3.007 9.517 -3.819 1.00 0.00 C ATOM 1004 O PHE A 62 2.972 10.742 -3.703 1.00 0.00 O ATOM 1005 CB PHE A 62 3.036 7.833 -1.969 1.00 0.00 C ATOM 1006 CG PHE A 62 3.413 8.602 -0.736 1.00 0.00 C ATOM 1007 CD1 PHE A 62 4.469 9.498 -0.759 1.00 0.00 C ATOM 1008 CD2 PHE A 62 2.713 8.428 0.447 1.00 0.00 C ATOM 1009 CE1 PHE A 62 4.820 10.207 0.375 1.00 0.00 C ATOM 1010 CE2 PHE A 62 3.059 9.134 1.584 1.00 0.00 C ATOM 1011 CZ PHE A 62 4.112 10.026 1.548 1.00 0.00 C ATOM 0 H PHE A 62 1.326 6.750 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 62 1.469 9.253 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.519 6.920 -1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.944 7.531 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.025 9.645 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.887 7.733 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.647 10.901 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.506 8.988 2.500 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.382 10.581 2.434 1.00 0.00 H new ATOM 1021 N ARG A 63 3.778 8.895 -4.705 1.00 0.00 N ATOM 1022 CA ARG A 63 4.649 9.635 -5.611 1.00 0.00 C ATOM 1023 C ARG A 63 3.841 10.592 -6.482 1.00 0.00 C ATOM 1024 O ARG A 63 4.176 11.770 -6.604 1.00 0.00 O ATOM 1025 CB ARG A 63 5.440 8.668 -6.495 1.00 0.00 C ATOM 1026 CG ARG A 63 6.451 7.831 -5.729 1.00 0.00 C ATOM 1027 CD ARG A 63 7.241 6.923 -6.658 1.00 0.00 C ATOM 1028 NE ARG A 63 6.533 5.676 -6.938 1.00 0.00 N ATOM 1029 CZ ARG A 63 6.950 4.776 -7.821 1.00 0.00 C ATOM 1030 NH1 ARG A 63 8.066 4.984 -8.507 1.00 0.00 N ATOM 1031 NH2 ARG A 63 6.251 3.666 -8.020 1.00 0.00 N ATOM 0 H ARG A 63 3.817 7.882 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 63 5.345 10.219 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.743 8.003 -7.006 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.961 9.237 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.135 8.487 -5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.934 7.228 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.439 7.446 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.208 6.698 -6.208 1.00 0.00 H new ATOM 0 HE ARG A 63 5.671 5.486 -6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.606 5.836 -8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.385 4.291 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.392 3.503 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.572 2.976 -8.699 1.00 0.00 H new ATOM 1045 N ARG A 64 2.775 10.077 -7.086 1.00 0.00 N ATOM 1046 CA ARG A 64 1.919 10.885 -7.947 1.00 0.00 C ATOM 1047 C ARG A 64 1.584 12.218 -7.284 1.00 0.00 C ATOM 1048 O ARG A 64 1.660 13.272 -7.913 1.00 0.00 O ATOM 1049 CB ARG A 64 0.632 10.129 -8.277 1.00 0.00 C ATOM 1050 CG ARG A 64 -0.062 10.627 -9.534 1.00 0.00 C ATOM 1051 CD ARG A 64 -1.322 9.829 -9.830 1.00 0.00 C ATOM 1052 NE ARG A 64 -2.412 10.170 -8.920 1.00 0.00 N ATOM 1053 CZ ARG A 64 -3.459 9.382 -8.699 1.00 0.00 C ATOM 1054 NH1 ARG A 64 -3.555 8.214 -9.318 1.00 0.00 N ATOM 1055 NH2 ARG A 64 -4.411 9.763 -7.857 1.00 0.00 N ATOM 0 H ARG A 64 2.483 9.104 -6.995 1.00 0.00 H new ATOM 0 HA ARG A 64 2.461 11.085 -8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.863 9.070 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.055 10.214 -7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.317 11.680 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.621 10.556 -10.380 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.636 10.015 -10.857 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.104 8.764 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.367 11.062 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.824 7.918 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.359 7.611 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.339 10.661 -7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.214 9.158 -7.688 1.00 0.00 H new ATOM 1069 N ASN A 65 1.213 12.161 -6.008 1.00 0.00 N ATOM 1070 CA ASN A 65 0.865 13.363 -5.260 1.00 0.00 C ATOM 1071 C ASN A 65 2.005 14.376 -5.297 1.00 0.00 C ATOM 1072 O ASN A 65 1.809 15.536 -5.666 1.00 0.00 O ATOM 1073 CB ASN A 65 0.530 13.008 -3.810 1.00 0.00 C ATOM 1074 CG ASN A 65 -0.090 14.169 -3.058 1.00 0.00 C ATOM 1075 OD1 ASN A 65 -0.900 14.917 -3.607 1.00 0.00 O ATOM 1076 ND2 ASN A 65 0.289 14.326 -1.795 1.00 0.00 N ATOM 0 H ASN A 65 1.146 11.296 -5.472 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.011 13.811 -5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.157 12.162 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.438 12.691 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.094 15.091 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.963 13.682 -1.381 1.00 0.00 H new ATOM 1083 N LEU A 66 3.196 13.932 -4.913 1.00 0.00 N ATOM 1084 CA LEU A 66 4.370 14.799 -4.901 1.00 0.00 C ATOM 1085 C LEU A 66 4.520 15.528 -6.233 1.00 0.00 C ATOM 1086 O LEU A 66 4.707 16.745 -6.269 1.00 0.00 O ATOM 1087 CB LEU A 66 5.629 13.982 -4.608 1.00 0.00 C ATOM 1088 CG LEU A 66 5.944 13.741 -3.132 1.00 0.00 C ATOM 1089 CD1 LEU A 66 5.198 12.517 -2.621 1.00 0.00 C ATOM 1090 CD2 LEU A 66 7.444 13.578 -2.926 1.00 0.00 C ATOM 0 H LEU A 66 3.375 12.976 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 66 4.236 15.541 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.533 13.015 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.480 14.488 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 66 5.612 14.609 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.434 12.360 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.125 12.672 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.500 11.641 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.650 13.407 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.801 12.728 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.957 14.482 -3.254 1.00 0.00 H new ATOM 1102 N LEU A 67 4.436 14.777 -7.326 1.00 0.00 N ATOM 1103 CA LEU A 67 4.561 15.351 -8.660 1.00 0.00 C ATOM 1104 C LEU A 67 3.452 16.365 -8.923 1.00 0.00 C ATOM 1105 O LEU A 67 3.672 17.387 -9.574 1.00 0.00 O ATOM 1106 CB LEU A 67 4.518 14.248 -9.719 1.00 0.00 C ATOM 1107 CG LEU A 67 5.463 13.065 -9.494 1.00 0.00 C ATOM 1108 CD1 LEU A 67 5.134 11.930 -10.451 1.00 0.00 C ATOM 1109 CD2 LEU A 67 6.910 13.502 -9.657 1.00 0.00 C ATOM 0 H LEU A 67 4.282 13.769 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 67 5.521 15.865 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.498 13.867 -9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.748 14.692 -10.687 1.00 0.00 H new ATOM 0 HG LEU A 67 5.327 12.703 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.816 11.098 -10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.109 11.600 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.241 12.278 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.568 12.649 -9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.062 13.890 -10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.139 14.281 -8.930 1.00 0.00 H new ATOM 1121 N ARG A 68 2.261 16.077 -8.409 1.00 0.00 N ATOM 1122 CA ARG A 68 1.117 16.965 -8.588 1.00 0.00 C ATOM 1123 C ARG A 68 1.227 18.183 -7.675 1.00 0.00 C ATOM 1124 O ARG A 68 1.807 18.107 -6.591 1.00 0.00 O ATOM 1125 CB ARG A 68 -0.186 16.216 -8.302 1.00 0.00 C ATOM 1126 CG ARG A 68 -1.409 16.860 -8.934 1.00 0.00 C ATOM 1127 CD ARG A 68 -2.506 15.839 -9.190 1.00 0.00 C ATOM 1128 NE ARG A 68 -2.316 15.138 -10.457 1.00 0.00 N ATOM 1129 CZ ARG A 68 -3.265 14.421 -11.050 1.00 0.00 C ATOM 1130 NH1 ARG A 68 -4.463 14.313 -10.494 1.00 0.00 N ATOM 1131 NH2 ARG A 68 -3.015 13.813 -12.203 1.00 0.00 N ATOM 0 H ARG A 68 2.062 15.237 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 68 1.112 17.307 -9.623 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.095 15.193 -8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.333 16.158 -7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.787 17.646 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.127 17.336 -9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.525 15.116 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.474 16.340 -9.195 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.405 15.202 -10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.659 14.781 -9.609 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.190 13.762 -10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.094 13.896 -12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.744 13.263 -12.658 1.00 0.00 H new ATOM 1145 N GLN A 69 0.667 19.302 -8.120 1.00 0.00 N ATOM 1146 CA GLN A 69 0.705 20.536 -7.343 1.00 0.00 C ATOM 1147 C GLN A 69 2.044 20.692 -6.631 1.00 0.00 C ATOM 1148 O GLN A 69 2.091 20.985 -5.437 1.00 0.00 O ATOM 1149 CB GLN A 69 -0.435 20.555 -6.323 1.00 0.00 C ATOM 1150 CG GLN A 69 -0.409 19.378 -5.361 1.00 0.00 C ATOM 1151 CD GLN A 69 -1.346 19.566 -4.184 1.00 0.00 C ATOM 1152 OE1 GLN A 69 -1.599 20.691 -3.750 1.00 0.00 O ATOM 1153 NE2 GLN A 69 -1.866 18.464 -3.659 1.00 0.00 N ATOM 0 H GLN A 69 0.182 19.381 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 69 0.582 21.373 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.385 21.482 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.387 20.559 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.683 18.469 -5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.607 19.237 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.629 17.552 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.502 18.529 -2.865 1.00 0.00 H new ATOM 1162 N GLU A 70 3.130 20.492 -7.372 1.00 0.00 N ATOM 1163 CA GLU A 70 4.470 20.609 -6.810 1.00 0.00 C ATOM 1164 C GLU A 70 4.555 21.790 -5.848 1.00 0.00 C ATOM 1165 O GLU A 70 4.236 22.922 -6.210 1.00 0.00 O ATOM 1166 CB GLU A 70 5.503 20.771 -7.927 1.00 0.00 C ATOM 1167 CG GLU A 70 5.980 19.452 -8.511 1.00 0.00 C ATOM 1168 CD GLU A 70 6.857 19.639 -9.734 1.00 0.00 C ATOM 1169 OE1 GLU A 70 7.915 20.291 -9.610 1.00 0.00 O ATOM 1170 OE2 GLU A 70 6.486 19.133 -10.814 1.00 0.00 O ATOM 0 H GLU A 70 3.108 20.248 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 70 4.685 19.695 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.072 21.377 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.362 21.319 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.535 18.902 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.116 18.843 -8.778 1.00 0.00 H new ATOM 1177 N ASN A 71 4.986 21.517 -4.621 1.00 0.00 N ATOM 1178 CA ASN A 71 5.112 22.556 -3.606 1.00 0.00 C ATOM 1179 C ASN A 71 6.414 23.332 -3.781 1.00 0.00 C ATOM 1180 O ASN A 71 7.374 22.831 -4.366 1.00 0.00 O ATOM 1181 CB ASN A 71 5.056 21.941 -2.207 1.00 0.00 C ATOM 1182 CG ASN A 71 4.923 22.988 -1.118 1.00 0.00 C ATOM 1183 OD1 ASN A 71 5.798 23.125 -0.263 1.00 0.00 O ATOM 1184 ND2 ASN A 71 3.825 23.735 -1.147 1.00 0.00 N ATOM 0 H ASN A 71 5.254 20.585 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 71 4.278 23.248 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.213 21.252 -2.150 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.959 21.355 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.681 24.457 -0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.126 23.586 -1.875 1.00 0.00 H new ATOM 1191 N GLY A 72 6.439 24.559 -3.267 1.00 0.00 N ATOM 1192 CA GLY A 72 7.628 25.384 -3.376 1.00 0.00 C ATOM 1193 C GLY A 72 7.602 26.565 -2.427 1.00 0.00 C ATOM 1194 O GLY A 72 8.050 26.463 -1.285 1.00 0.00 O ATOM 0 H GLY A 72 5.658 24.995 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.509 24.776 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.723 25.746 -4.400 1.00 0.00 H new ATOM 1198 N GLY A 73 7.079 27.692 -2.900 1.00 0.00 N ATOM 1199 CA GLY A 73 7.008 28.882 -2.073 1.00 0.00 C ATOM 1200 C GLY A 73 6.722 28.563 -0.620 1.00 0.00 C ATOM 1201 O GLY A 73 7.550 28.816 0.255 1.00 0.00 O ATOM 0 H GLY A 73 6.703 27.802 -3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.950 29.426 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.229 29.541 -2.457 1.00 0.00 H new ATOM 1205 N VAL A 74 5.544 28.004 -0.360 1.00 0.00 N ATOM 1206 CA VAL A 74 5.149 27.648 0.999 1.00 0.00 C ATOM 1207 C VAL A 74 6.088 26.602 1.589 1.00 0.00 C ATOM 1208 O VAL A 74 6.198 25.490 1.072 1.00 0.00 O ATOM 1209 CB VAL A 74 3.707 27.110 1.041 1.00 0.00 C ATOM 1210 CG1 VAL A 74 3.330 26.702 2.458 1.00 0.00 C ATOM 1211 CG2 VAL A 74 2.735 28.148 0.500 1.00 0.00 C ATOM 0 H VAL A 74 4.846 27.788 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 74 5.206 28.559 1.594 1.00 0.00 H new ATOM 0 HB VAL A 74 3.649 26.226 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.308 26.324 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.008 25.922 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.404 27.567 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.721 27.751 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.793 29.052 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.994 28.386 -0.532 1.00 0.00 H new ATOM 1221 N SER A 75 6.764 26.966 2.673 1.00 0.00 N ATOM 1222 CA SER A 75 7.698 26.060 3.332 1.00 0.00 C ATOM 1223 C SER A 75 6.966 25.141 4.306 1.00 0.00 C ATOM 1224 O SER A 75 5.760 25.269 4.511 1.00 0.00 O ATOM 1225 CB SER A 75 8.774 26.853 4.073 1.00 0.00 C ATOM 1226 OG SER A 75 9.986 26.122 4.147 1.00 0.00 O ATOM 0 H SER A 75 6.683 27.882 3.114 1.00 0.00 H new ATOM 0 HA SER A 75 8.173 25.446 2.566 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.948 27.801 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.427 27.091 5.079 1.00 0.00 H new ATOM 0 HG SER A 75 10.659 26.651 4.624 1.00 0.00 H new ATOM 1232 N GLY A 76 7.707 24.212 4.904 1.00 0.00 N ATOM 1233 CA GLY A 76 7.113 23.285 5.849 1.00 0.00 C ATOM 1234 C GLY A 76 8.035 22.130 6.184 1.00 0.00 C ATOM 1235 O GLY A 76 8.851 21.701 5.368 1.00 0.00 O ATOM 0 H GLY A 76 8.707 24.085 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.856 23.818 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.183 22.895 5.436 1.00 0.00 H new ATOM 1239 N PRO A 77 7.912 21.607 7.413 1.00 0.00 N ATOM 1240 CA PRO A 77 8.733 20.487 7.884 1.00 0.00 C ATOM 1241 C PRO A 77 8.384 19.178 7.184 1.00 0.00 C ATOM 1242 O PRO A 77 9.235 18.304 7.023 1.00 0.00 O ATOM 1243 CB PRO A 77 8.398 20.403 9.375 1.00 0.00 C ATOM 1244 CG PRO A 77 7.037 20.996 9.490 1.00 0.00 C ATOM 1245 CD PRO A 77 6.960 22.066 8.438 1.00 0.00 C ATOM 0 HA PRO A 77 9.792 20.644 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.412 19.371 9.726 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.122 20.954 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.268 20.240 9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.876 21.414 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.952 22.162 8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.238 23.042 8.836 1.00 0.00 H new ATOM 1253 N SER A 78 7.128 19.050 6.771 1.00 0.00 N ATOM 1254 CA SER A 78 6.665 17.845 6.092 1.00 0.00 C ATOM 1255 C SER A 78 6.368 18.130 4.622 1.00 0.00 C ATOM 1256 O SER A 78 5.240 18.458 4.258 1.00 0.00 O ATOM 1257 CB SER A 78 5.414 17.295 6.779 1.00 0.00 C ATOM 1258 OG SER A 78 5.758 16.454 7.867 1.00 0.00 O ATOM 0 H SER A 78 6.412 19.766 6.894 1.00 0.00 H new ATOM 0 HA SER A 78 7.458 17.099 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.798 18.121 7.134 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.815 16.737 6.059 1.00 0.00 H new ATOM 0 HG SER A 78 4.941 16.117 8.291 1.00 0.00 H new ATOM 1264 N SER A 79 7.391 18.001 3.783 1.00 0.00 N ATOM 1265 CA SER A 79 7.243 18.248 2.354 1.00 0.00 C ATOM 1266 C SER A 79 5.960 17.615 1.824 1.00 0.00 C ATOM 1267 O SER A 79 5.586 16.514 2.226 1.00 0.00 O ATOM 1268 CB SER A 79 8.450 17.698 1.592 1.00 0.00 C ATOM 1269 OG SER A 79 9.651 18.313 2.026 1.00 0.00 O ATOM 0 H SER A 79 8.331 17.727 4.069 1.00 0.00 H new ATOM 0 HA SER A 79 7.186 19.326 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.516 16.620 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.317 17.867 0.523 1.00 0.00 H new ATOM 0 HG SER A 79 10.408 17.943 1.525 1.00 0.00 H new ATOM 1275 N GLY A 80 5.290 18.321 0.918 1.00 0.00 N ATOM 1276 CA GLY A 80 4.056 17.812 0.346 1.00 0.00 C ATOM 1277 C GLY A 80 4.238 16.461 -0.317 1.00 0.00 C ATOM 1278 O GLY A 80 4.186 15.426 0.346 1.00 0.00 O ATOM 0 H GLY A 80 5.579 19.235 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.303 17.730 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.678 18.525 -0.387 1.00 0.00 H new TER 1282 GLY A 80