USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.418 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.0655 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.574 K(o=0.57,f=-0.88) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 59:sc= 0.191 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.515 K(o=-0.52,f=-2.1!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -120:sc= 1.5 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -2.77 USER MOD Single : A 51 HIS : no HD1:sc= -0.556 K(o=-0.56,f=-0.0074) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 63 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 39:sc= 0.604 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.139 15.933 -13.645 1.00 0.00 N ATOM 2 CA GLY A 1 16.300 15.523 -12.263 1.00 0.00 C ATOM 3 C GLY A 1 15.193 14.598 -11.799 1.00 0.00 C ATOM 4 O GLY A 1 14.397 14.957 -10.932 1.00 0.00 O ATOM 0 H1 GLY A 1 16.921 16.564 -13.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.145 15.094 -14.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.235 16.436 -13.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.261 15.022 -12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.322 16.407 -11.625 1.00 0.00 H new ATOM 8 N SER A 2 15.140 13.403 -12.379 1.00 0.00 N ATOM 9 CA SER A 2 14.118 12.426 -12.024 1.00 0.00 C ATOM 10 C SER A 2 14.754 11.116 -11.569 1.00 0.00 C ATOM 11 O SER A 2 15.332 10.382 -12.370 1.00 0.00 O ATOM 12 CB SER A 2 13.192 12.169 -13.215 1.00 0.00 C ATOM 13 OG SER A 2 13.931 11.789 -14.363 1.00 0.00 O ATOM 0 H SER A 2 15.793 13.088 -13.097 1.00 0.00 H new ATOM 0 HA SER A 2 13.533 12.832 -11.199 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.478 11.385 -12.962 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.615 13.068 -13.431 1.00 0.00 H new ATOM 0 HG SER A 2 14.739 11.308 -14.087 1.00 0.00 H new ATOM 19 N SER A 3 14.644 10.830 -10.275 1.00 0.00 N ATOM 20 CA SER A 3 15.211 9.611 -9.711 1.00 0.00 C ATOM 21 C SER A 3 14.713 8.381 -10.463 1.00 0.00 C ATOM 22 O SER A 3 13.863 8.482 -11.346 1.00 0.00 O ATOM 23 CB SER A 3 14.852 9.496 -8.228 1.00 0.00 C ATOM 24 OG SER A 3 15.699 10.309 -7.434 1.00 0.00 O ATOM 0 H SER A 3 14.167 11.426 -9.598 1.00 0.00 H new ATOM 0 HA SER A 3 16.295 9.663 -9.813 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.814 9.792 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.937 8.457 -7.910 1.00 0.00 H new ATOM 0 HG SER A 3 15.448 10.219 -6.491 1.00 0.00 H new ATOM 30 N GLY A 4 15.251 7.218 -10.106 1.00 0.00 N ATOM 31 CA GLY A 4 14.850 5.985 -10.757 1.00 0.00 C ATOM 32 C GLY A 4 13.754 5.260 -10.001 1.00 0.00 C ATOM 33 O GLY A 4 12.822 4.729 -10.604 1.00 0.00 O ATOM 0 H GLY A 4 15.957 7.108 -9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.505 6.207 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.716 5.330 -10.852 1.00 0.00 H new ATOM 37 N SER A 5 13.866 5.237 -8.677 1.00 0.00 N ATOM 38 CA SER A 5 12.880 4.567 -7.838 1.00 0.00 C ATOM 39 C SER A 5 12.679 5.322 -6.527 1.00 0.00 C ATOM 40 O SER A 5 13.579 5.386 -5.691 1.00 0.00 O ATOM 41 CB SER A 5 13.316 3.129 -7.549 1.00 0.00 C ATOM 42 OG SER A 5 12.972 2.268 -8.621 1.00 0.00 O ATOM 0 H SER A 5 14.630 5.675 -8.162 1.00 0.00 H new ATOM 0 HA SER A 5 11.933 4.550 -8.377 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.393 3.098 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.843 2.779 -6.631 1.00 0.00 H new ATOM 0 HG SER A 5 12.819 2.799 -9.431 1.00 0.00 H new ATOM 48 N SER A 6 11.490 5.893 -6.356 1.00 0.00 N ATOM 49 CA SER A 6 11.171 6.647 -5.150 1.00 0.00 C ATOM 50 C SER A 6 11.189 5.741 -3.922 1.00 0.00 C ATOM 51 O SER A 6 11.776 6.080 -2.896 1.00 0.00 O ATOM 52 CB SER A 6 9.800 7.312 -5.287 1.00 0.00 C ATOM 53 OG SER A 6 8.803 6.361 -5.617 1.00 0.00 O ATOM 0 H SER A 6 10.733 5.847 -7.038 1.00 0.00 H new ATOM 0 HA SER A 6 11.930 7.419 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.538 7.809 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.841 8.082 -6.057 1.00 0.00 H new ATOM 0 HG SER A 6 7.936 6.811 -5.697 1.00 0.00 H new ATOM 59 N GLY A 7 10.540 4.586 -4.037 1.00 0.00 N ATOM 60 CA GLY A 7 10.493 3.649 -2.930 1.00 0.00 C ATOM 61 C GLY A 7 9.986 4.286 -1.652 1.00 0.00 C ATOM 62 O GLY A 7 10.771 4.640 -0.771 1.00 0.00 O ATOM 0 H GLY A 7 10.046 4.283 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.849 2.811 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.490 3.243 -2.759 1.00 0.00 H new ATOM 66 N LEU A 8 8.670 4.435 -1.548 1.00 0.00 N ATOM 67 CA LEU A 8 8.058 5.036 -0.368 1.00 0.00 C ATOM 68 C LEU A 8 7.558 3.962 0.592 1.00 0.00 C ATOM 69 O LEU A 8 7.603 2.770 0.286 1.00 0.00 O ATOM 70 CB LEU A 8 6.901 5.948 -0.778 1.00 0.00 C ATOM 71 CG LEU A 8 7.269 7.399 -1.092 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.179 7.964 -0.012 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.933 7.498 -2.457 1.00 0.00 C ATOM 0 H LEU A 8 8.006 4.148 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 8 8.817 5.629 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.419 5.518 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.162 5.947 0.023 1.00 0.00 H new ATOM 0 HG LEU A 8 6.353 7.990 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.431 8.997 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.667 7.929 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.092 7.371 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.188 8.538 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.840 6.894 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.248 7.134 -3.222 1.00 0.00 H new ATOM 85 N LEU A 9 7.080 4.392 1.755 1.00 0.00 N ATOM 86 CA LEU A 9 6.568 3.467 2.761 1.00 0.00 C ATOM 87 C LEU A 9 5.187 3.898 3.244 1.00 0.00 C ATOM 88 O LEU A 9 4.985 5.049 3.630 1.00 0.00 O ATOM 89 CB LEU A 9 7.533 3.386 3.945 1.00 0.00 C ATOM 90 CG LEU A 9 8.941 2.878 3.631 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.924 3.335 4.697 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.946 1.361 3.512 1.00 0.00 C ATOM 0 H LEU A 9 7.036 5.375 2.025 1.00 0.00 H new ATOM 0 HA LEU A 9 6.481 2.482 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.617 4.378 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.094 2.735 4.702 1.00 0.00 H new ATOM 0 HG LEU A 9 9.254 3.298 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.920 2.964 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.941 4.424 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.616 2.945 5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.956 1.017 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.613 0.921 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.273 1.057 2.710 1.00 0.00 H new ATOM 104 N ALA A 10 4.241 2.965 3.222 1.00 0.00 N ATOM 105 CA ALA A 10 2.880 3.247 3.661 1.00 0.00 C ATOM 106 C ALA A 10 2.358 2.143 4.574 1.00 0.00 C ATOM 107 O ALA A 10 2.772 0.988 4.466 1.00 0.00 O ATOM 108 CB ALA A 10 1.962 3.420 2.460 1.00 0.00 C ATOM 0 H ALA A 10 4.392 2.007 2.905 1.00 0.00 H new ATOM 0 HA ALA A 10 2.894 4.177 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.949 3.630 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.317 4.249 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.962 2.505 1.867 1.00 0.00 H new ATOM 114 N ARG A 11 1.447 2.504 5.471 1.00 0.00 N ATOM 115 CA ARG A 11 0.870 1.543 6.404 1.00 0.00 C ATOM 116 C ARG A 11 -0.483 1.045 5.904 1.00 0.00 C ATOM 117 O ARG A 11 -1.087 1.647 5.016 1.00 0.00 O ATOM 118 CB ARG A 11 0.713 2.175 7.788 1.00 0.00 C ATOM 119 CG ARG A 11 0.277 1.190 8.861 1.00 0.00 C ATOM 120 CD ARG A 11 0.180 1.858 10.224 1.00 0.00 C ATOM 121 NE ARG A 11 0.461 0.925 11.312 1.00 0.00 N ATOM 122 CZ ARG A 11 1.687 0.629 11.728 1.00 0.00 C ATOM 123 NH1 ARG A 11 2.740 1.191 11.151 1.00 0.00 N ATOM 124 NH2 ARG A 11 1.862 -0.230 12.725 1.00 0.00 N ATOM 0 H ARG A 11 1.092 3.455 5.572 1.00 0.00 H new ATOM 0 HA ARG A 11 1.547 0.692 6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.661 2.624 8.083 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.017 2.982 7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.690 0.764 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.987 0.364 8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.882 2.691 10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.819 2.275 10.353 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.328 0.476 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.610 1.853 10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.681 0.962 11.472 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.054 -0.663 13.172 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.804 -0.457 13.044 1.00 0.00 H new ATOM 138 N ALA A 12 -0.952 -0.057 6.479 1.00 0.00 N ATOM 139 CA ALA A 12 -2.233 -0.635 6.093 1.00 0.00 C ATOM 140 C ALA A 12 -3.262 -0.483 7.208 1.00 0.00 C ATOM 141 O ALA A 12 -3.268 -1.253 8.170 1.00 0.00 O ATOM 142 CB ALA A 12 -2.062 -2.101 5.726 1.00 0.00 C ATOM 0 H ALA A 12 -0.464 -0.568 7.214 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.599 -0.094 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.027 -2.519 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.367 -2.188 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.670 -2.647 6.584 1.00 0.00 H new ATOM 148 N LEU A 13 -4.131 0.513 7.074 1.00 0.00 N ATOM 149 CA LEU A 13 -5.165 0.766 8.072 1.00 0.00 C ATOM 150 C LEU A 13 -6.270 -0.282 7.988 1.00 0.00 C ATOM 151 O LEU A 13 -7.110 -0.386 8.882 1.00 0.00 O ATOM 152 CB LEU A 13 -5.756 2.163 7.880 1.00 0.00 C ATOM 153 CG LEU A 13 -4.750 3.291 7.643 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.466 4.566 7.227 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.913 3.529 8.892 1.00 0.00 C ATOM 0 H LEU A 13 -4.140 1.159 6.284 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.706 0.705 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.443 2.132 7.034 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.347 2.410 8.762 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.083 2.994 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.734 5.357 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.021 4.388 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.157 4.868 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.203 4.335 8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.566 3.805 9.720 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.370 2.618 9.145 1.00 0.00 H new ATOM 167 N TYR A 14 -6.262 -1.058 6.910 1.00 0.00 N ATOM 168 CA TYR A 14 -7.264 -2.098 6.709 1.00 0.00 C ATOM 169 C TYR A 14 -6.751 -3.171 5.754 1.00 0.00 C ATOM 170 O TYR A 14 -6.252 -2.866 4.670 1.00 0.00 O ATOM 171 CB TYR A 14 -8.558 -1.491 6.165 1.00 0.00 C ATOM 172 CG TYR A 14 -8.940 -0.187 6.828 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.734 -0.171 7.969 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.509 1.030 6.313 1.00 0.00 C ATOM 175 CE1 TYR A 14 -10.086 1.018 8.577 1.00 0.00 C ATOM 176 CE2 TYR A 14 -8.855 2.223 6.916 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.644 2.213 8.048 1.00 0.00 C ATOM 178 OH TYR A 14 -9.992 3.400 8.650 1.00 0.00 O ATOM 0 H TYR A 14 -5.573 -0.987 6.162 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.467 -2.563 7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.450 -1.326 5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.369 -2.207 6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.081 -1.104 8.387 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.893 1.043 5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.704 1.012 9.462 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.510 3.160 6.504 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.598 4.147 8.153 1.00 0.00 H new ATOM 188 N ASP A 15 -6.879 -4.428 6.163 1.00 0.00 N ATOM 189 CA ASP A 15 -6.431 -5.548 5.344 1.00 0.00 C ATOM 190 C ASP A 15 -7.111 -5.529 3.978 1.00 0.00 C ATOM 191 O ASP A 15 -8.097 -4.822 3.775 1.00 0.00 O ATOM 192 CB ASP A 15 -6.718 -6.873 6.052 1.00 0.00 C ATOM 193 CG ASP A 15 -8.185 -7.039 6.397 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.037 -6.648 5.571 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.481 -7.561 7.492 1.00 0.00 O ATOM 0 H ASP A 15 -7.289 -4.697 7.057 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.356 -5.450 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.402 -7.698 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.124 -6.930 6.964 1.00 0.00 H new ATOM 200 N ASN A 16 -6.576 -6.311 3.046 1.00 0.00 N ATOM 201 CA ASN A 16 -7.131 -6.382 1.699 1.00 0.00 C ATOM 202 C ASN A 16 -7.206 -7.828 1.218 1.00 0.00 C ATOM 203 O ASN A 16 -6.283 -8.614 1.434 1.00 0.00 O ATOM 204 CB ASN A 16 -6.283 -5.555 0.731 1.00 0.00 C ATOM 205 CG ASN A 16 -6.782 -5.645 -0.698 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.987 -5.609 -0.950 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.856 -5.763 -1.642 1.00 0.00 N ATOM 0 H ASN A 16 -5.760 -6.904 3.198 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.141 -5.973 1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.287 -4.512 1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.249 -5.898 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.132 -5.828 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.869 -5.789 -1.387 1.00 0.00 H new ATOM 214 N CYS A 17 -8.311 -8.171 0.564 1.00 0.00 N ATOM 215 CA CYS A 17 -8.507 -9.523 0.052 1.00 0.00 C ATOM 216 C CYS A 17 -8.643 -9.514 -1.467 1.00 0.00 C ATOM 217 O CYS A 17 -9.744 -9.541 -2.017 1.00 0.00 O ATOM 218 CB CYS A 17 -9.749 -10.154 0.683 1.00 0.00 C ATOM 219 SG CYS A 17 -9.426 -11.027 2.234 1.00 0.00 S ATOM 0 H CYS A 17 -9.084 -7.532 0.376 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.632 -10.116 0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.488 -9.373 0.865 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.191 -10.851 -0.029 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.537 -11.524 2.692 1.00 0.00 H new ATOM 225 N PRO A 18 -7.497 -9.474 -2.164 1.00 0.00 N ATOM 226 CA PRO A 18 -7.462 -9.459 -3.629 1.00 0.00 C ATOM 227 C PRO A 18 -7.896 -10.791 -4.233 1.00 0.00 C ATOM 228 O PRO A 18 -7.589 -11.856 -3.697 1.00 0.00 O ATOM 229 CB PRO A 18 -5.989 -9.184 -3.945 1.00 0.00 C ATOM 230 CG PRO A 18 -5.246 -9.680 -2.753 1.00 0.00 C ATOM 231 CD PRO A 18 -6.148 -9.440 -1.574 1.00 0.00 C ATOM 0 HA PRO A 18 -8.147 -8.721 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.675 -9.703 -4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.811 -8.121 -4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.009 -10.739 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.300 -9.151 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.024 -10.208 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.941 -8.481 -1.099 1.00 0.00 H new ATOM 239 N ASP A 19 -8.611 -10.723 -5.350 1.00 0.00 N ATOM 240 CA ASP A 19 -9.086 -11.924 -6.028 1.00 0.00 C ATOM 241 C ASP A 19 -8.124 -12.339 -7.137 1.00 0.00 C ATOM 242 O ASP A 19 -8.245 -13.426 -7.702 1.00 0.00 O ATOM 243 CB ASP A 19 -10.482 -11.689 -6.607 1.00 0.00 C ATOM 244 CG ASP A 19 -10.838 -12.695 -7.684 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.285 -13.807 -7.333 1.00 0.00 O ATOM 246 OD2 ASP A 19 -10.669 -12.371 -8.879 1.00 0.00 O ATOM 0 H ASP A 19 -8.875 -9.849 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.136 -12.730 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.219 -11.743 -5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.536 -10.682 -7.022 1.00 0.00 H new ATOM 251 N CYS A 20 -7.172 -11.465 -7.444 1.00 0.00 N ATOM 252 CA CYS A 20 -6.190 -11.740 -8.487 1.00 0.00 C ATOM 253 C CYS A 20 -4.795 -11.305 -8.049 1.00 0.00 C ATOM 254 O CYS A 20 -4.629 -10.682 -7.001 1.00 0.00 O ATOM 255 CB CYS A 20 -6.578 -11.025 -9.782 1.00 0.00 C ATOM 256 SG CYS A 20 -7.810 -11.905 -10.771 1.00 0.00 S ATOM 0 H CYS A 20 -7.059 -10.561 -6.986 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.176 -12.815 -8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.964 -10.036 -9.536 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.682 -10.877 -10.385 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.894 -12.066 -10.071 1.00 0.00 H new ATOM 262 N SER A 21 -3.796 -11.638 -8.860 1.00 0.00 N ATOM 263 CA SER A 21 -2.414 -11.286 -8.553 1.00 0.00 C ATOM 264 C SER A 21 -2.195 -9.782 -8.680 1.00 0.00 C ATOM 265 O SER A 21 -1.467 -9.180 -7.890 1.00 0.00 O ATOM 266 CB SER A 21 -1.457 -12.032 -9.485 1.00 0.00 C ATOM 267 OG SER A 21 -0.151 -12.085 -8.939 1.00 0.00 O ATOM 0 H SER A 21 -3.917 -12.150 -9.734 1.00 0.00 H new ATOM 0 HA SER A 21 -2.211 -11.579 -7.523 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.825 -13.044 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.429 -11.536 -10.455 1.00 0.00 H new ATOM 0 HG SER A 21 0.441 -12.568 -9.553 1.00 0.00 H new ATOM 273 N ASP A 22 -2.831 -9.180 -9.680 1.00 0.00 N ATOM 274 CA ASP A 22 -2.708 -7.746 -9.911 1.00 0.00 C ATOM 275 C ASP A 22 -2.686 -6.982 -8.591 1.00 0.00 C ATOM 276 O ASP A 22 -1.772 -6.201 -8.330 1.00 0.00 O ATOM 277 CB ASP A 22 -3.861 -7.248 -10.784 1.00 0.00 C ATOM 278 CG ASP A 22 -5.207 -7.391 -10.101 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.418 -8.412 -9.414 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.049 -6.482 -10.254 1.00 0.00 O ATOM 0 H ASP A 22 -3.437 -9.663 -10.343 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.766 -7.566 -10.429 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.695 -6.201 -11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.871 -7.805 -11.721 1.00 0.00 H new ATOM 285 N GLU A 23 -3.700 -7.214 -7.762 1.00 0.00 N ATOM 286 CA GLU A 23 -3.797 -6.546 -6.470 1.00 0.00 C ATOM 287 C GLU A 23 -2.814 -7.149 -5.470 1.00 0.00 C ATOM 288 O GLU A 23 -2.175 -8.166 -5.746 1.00 0.00 O ATOM 289 CB GLU A 23 -5.223 -6.647 -5.924 1.00 0.00 C ATOM 290 CG GLU A 23 -6.215 -5.750 -6.643 1.00 0.00 C ATOM 291 CD GLU A 23 -7.646 -6.232 -6.502 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.957 -7.326 -7.019 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.455 -5.515 -5.876 1.00 0.00 O ATOM 0 H GLU A 23 -4.465 -7.859 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.544 -5.496 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.560 -7.681 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.216 -6.391 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.136 -4.737 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.955 -5.701 -7.700 1.00 0.00 H new ATOM 300 N LEU A 24 -2.697 -6.515 -4.309 1.00 0.00 N ATOM 301 CA LEU A 24 -1.791 -6.987 -3.267 1.00 0.00 C ATOM 302 C LEU A 24 -2.570 -7.521 -2.069 1.00 0.00 C ATOM 303 O LEU A 24 -3.617 -6.984 -1.708 1.00 0.00 O ATOM 304 CB LEU A 24 -0.860 -5.858 -2.823 1.00 0.00 C ATOM 305 CG LEU A 24 0.524 -6.284 -2.330 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.537 -5.173 -2.559 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.471 -6.665 -0.858 1.00 0.00 C ATOM 0 H LEU A 24 -3.218 -5.673 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.194 -7.800 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.730 -5.171 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.352 -5.301 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 24 0.839 -7.158 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.516 -5.494 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.595 -4.947 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.227 -4.280 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.464 -6.965 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.135 -5.809 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.224 -7.494 -0.721 1.00 0.00 H new ATOM 319 N ALA A 25 -2.051 -8.579 -1.456 1.00 0.00 N ATOM 320 CA ALA A 25 -2.695 -9.182 -0.296 1.00 0.00 C ATOM 321 C ALA A 25 -1.949 -8.837 0.988 1.00 0.00 C ATOM 322 O ALA A 25 -0.895 -9.406 1.277 1.00 0.00 O ATOM 323 CB ALA A 25 -2.786 -10.691 -0.467 1.00 0.00 C ATOM 0 H ALA A 25 -1.186 -9.037 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.703 -8.775 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.269 -11.128 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.370 -10.922 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.784 -11.106 -0.573 1.00 0.00 H new ATOM 329 N PHE A 26 -2.500 -7.902 1.755 1.00 0.00 N ATOM 330 CA PHE A 26 -1.884 -7.481 3.008 1.00 0.00 C ATOM 331 C PHE A 26 -2.919 -7.414 4.127 1.00 0.00 C ATOM 332 O PHE A 26 -4.124 -7.420 3.874 1.00 0.00 O ATOM 333 CB PHE A 26 -1.213 -6.117 2.837 1.00 0.00 C ATOM 334 CG PHE A 26 -2.152 -5.040 2.373 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.900 -4.315 3.286 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.286 -4.754 1.024 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.765 -3.323 2.863 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.149 -3.763 0.595 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.890 -3.048 1.515 1.00 0.00 C ATOM 0 H PHE A 26 -3.371 -7.422 1.531 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.129 -8.219 3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.770 -5.817 3.787 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.397 -6.210 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.806 -4.527 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.710 -5.311 0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.342 -2.764 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.244 -3.548 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.566 -2.275 1.181 1.00 0.00 H new ATOM 349 N SER A 27 -2.440 -7.350 5.365 1.00 0.00 N ATOM 350 CA SER A 27 -3.323 -7.287 6.524 1.00 0.00 C ATOM 351 C SER A 27 -3.029 -6.048 7.364 1.00 0.00 C ATOM 352 O SER A 27 -1.966 -5.439 7.240 1.00 0.00 O ATOM 353 CB SER A 27 -3.168 -8.546 7.380 1.00 0.00 C ATOM 354 OG SER A 27 -4.289 -8.728 8.227 1.00 0.00 O ATOM 0 H SER A 27 -1.445 -7.340 5.591 1.00 0.00 H new ATOM 0 HA SER A 27 -4.350 -7.226 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.051 -9.416 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.262 -8.471 7.982 1.00 0.00 H new ATOM 0 HG SER A 27 -4.166 -9.540 8.762 1.00 0.00 H new ATOM 360 N ARG A 28 -3.978 -5.681 8.219 1.00 0.00 N ATOM 361 CA ARG A 28 -3.822 -4.514 9.079 1.00 0.00 C ATOM 362 C ARG A 28 -2.540 -4.612 9.900 1.00 0.00 C ATOM 363 O ARG A 28 -2.226 -5.663 10.457 1.00 0.00 O ATOM 364 CB ARG A 28 -5.028 -4.376 10.011 1.00 0.00 C ATOM 365 CG ARG A 28 -4.772 -3.477 11.209 1.00 0.00 C ATOM 366 CD ARG A 28 -4.614 -2.023 10.791 1.00 0.00 C ATOM 367 NE ARG A 28 -4.735 -1.111 11.925 1.00 0.00 N ATOM 368 CZ ARG A 28 -3.748 -0.864 12.778 1.00 0.00 C ATOM 369 NH1 ARG A 28 -2.572 -1.457 12.626 1.00 0.00 N ATOM 370 NH2 ARG A 28 -3.935 -0.021 13.786 1.00 0.00 N ATOM 0 H ARG A 28 -4.863 -6.175 8.335 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.760 -3.631 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.871 -3.981 9.444 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.318 -5.365 10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.598 -3.566 11.915 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.872 -3.807 11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.642 -1.886 10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.370 -1.776 10.045 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.627 -0.638 12.070 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.424 -2.105 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.816 -1.265 13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.838 0.438 13.906 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.176 0.168 14.441 1.00 0.00 H new ATOM 384 N GLY A 29 -1.802 -3.507 9.970 1.00 0.00 N ATOM 385 CA GLY A 29 -0.563 -3.490 10.725 1.00 0.00 C ATOM 386 C GLY A 29 0.624 -3.950 9.901 1.00 0.00 C ATOM 387 O GLY A 29 1.501 -4.653 10.403 1.00 0.00 O ATOM 0 H GLY A 29 -2.041 -2.625 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.378 -2.480 11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.665 -4.132 11.600 1.00 0.00 H new ATOM 391 N ASP A 30 0.651 -3.554 8.633 1.00 0.00 N ATOM 392 CA ASP A 30 1.738 -3.931 7.738 1.00 0.00 C ATOM 393 C ASP A 30 2.136 -2.761 6.843 1.00 0.00 C ATOM 394 O ASP A 30 1.316 -2.237 6.089 1.00 0.00 O ATOM 395 CB ASP A 30 1.329 -5.129 6.879 1.00 0.00 C ATOM 396 CG ASP A 30 1.293 -6.422 7.670 1.00 0.00 C ATOM 397 OD1 ASP A 30 2.308 -6.749 8.320 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.249 -7.107 7.639 1.00 0.00 O ATOM 0 H ASP A 30 -0.068 -2.972 8.202 1.00 0.00 H new ATOM 0 HA ASP A 30 2.598 -4.208 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.346 -4.944 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.028 -5.233 6.049 1.00 0.00 H new ATOM 403 N ILE A 31 3.398 -2.356 6.934 1.00 0.00 N ATOM 404 CA ILE A 31 3.904 -1.248 6.133 1.00 0.00 C ATOM 405 C ILE A 31 4.320 -1.720 4.743 1.00 0.00 C ATOM 406 O ILE A 31 5.313 -2.433 4.589 1.00 0.00 O ATOM 407 CB ILE A 31 5.105 -0.565 6.812 1.00 0.00 C ATOM 408 CG1 ILE A 31 4.701 -0.021 8.184 1.00 0.00 C ATOM 409 CG2 ILE A 31 5.646 0.553 5.932 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.234 -1.092 9.144 1.00 0.00 C ATOM 0 H ILE A 31 4.089 -2.778 7.554 1.00 0.00 H new ATOM 0 HA ILE A 31 3.091 -0.527 6.041 1.00 0.00 H new ATOM 0 HB ILE A 31 5.893 -1.305 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.550 0.504 8.622 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.905 0.712 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.495 1.026 6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.967 0.140 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.865 1.294 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.964 -0.635 10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.365 -1.601 8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.036 -1.813 9.303 1.00 0.00 H new ATOM 422 N LEU A 32 3.558 -1.315 3.734 1.00 0.00 N ATOM 423 CA LEU A 32 3.848 -1.694 2.356 1.00 0.00 C ATOM 424 C LEU A 32 4.867 -0.745 1.733 1.00 0.00 C ATOM 425 O LEU A 32 4.815 0.467 1.945 1.00 0.00 O ATOM 426 CB LEU A 32 2.563 -1.697 1.525 1.00 0.00 C ATOM 427 CG LEU A 32 1.687 -2.944 1.648 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.391 -4.151 1.047 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.329 -3.203 3.104 1.00 0.00 C ATOM 0 H LEU A 32 2.734 -0.724 3.844 1.00 0.00 H new ATOM 0 HA LEU A 32 4.271 -2.699 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.968 -0.830 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.832 -1.568 0.477 1.00 0.00 H new ATOM 0 HG LEU A 32 0.764 -2.773 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.753 -5.030 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.596 -3.965 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.329 -4.324 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.705 -4.094 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.241 -3.353 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.784 -2.347 3.502 1.00 0.00 H new ATOM 441 N THR A 33 5.795 -1.304 0.962 1.00 0.00 N ATOM 442 CA THR A 33 6.826 -0.509 0.308 1.00 0.00 C ATOM 443 C THR A 33 6.375 -0.055 -1.076 1.00 0.00 C ATOM 444 O THR A 33 6.467 -0.808 -2.046 1.00 0.00 O ATOM 445 CB THR A 33 8.143 -1.296 0.174 1.00 0.00 C ATOM 446 OG1 THR A 33 8.601 -1.708 1.466 1.00 0.00 O ATOM 447 CG2 THR A 33 9.211 -0.452 -0.504 1.00 0.00 C ATOM 0 H THR A 33 5.853 -2.305 0.776 1.00 0.00 H new ATOM 0 HA THR A 33 6.997 0.365 0.937 1.00 0.00 H new ATOM 0 HB THR A 33 7.954 -2.176 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.438 -2.209 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.132 -1.029 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.871 -0.165 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.397 0.444 0.088 1.00 0.00 H new ATOM 455 N ILE A 34 5.889 1.178 -1.160 1.00 0.00 N ATOM 456 CA ILE A 34 5.426 1.732 -2.427 1.00 0.00 C ATOM 457 C ILE A 34 6.579 1.891 -3.412 1.00 0.00 C ATOM 458 O ILE A 34 7.523 2.642 -3.164 1.00 0.00 O ATOM 459 CB ILE A 34 4.743 3.098 -2.228 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.578 2.972 -1.245 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.261 3.648 -3.562 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.123 4.297 -0.674 1.00 0.00 C ATOM 0 H ILE A 34 5.805 1.813 -0.366 1.00 0.00 H new ATOM 0 HA ILE A 34 4.700 1.028 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 34 5.471 3.794 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.738 2.495 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.873 2.315 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.780 4.614 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.111 3.770 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.546 2.955 -4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.295 4.131 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.950 4.767 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.797 4.949 -1.484 1.00 0.00 H new ATOM 474 N LEU A 35 6.496 1.180 -4.531 1.00 0.00 N ATOM 475 CA LEU A 35 7.532 1.243 -5.556 1.00 0.00 C ATOM 476 C LEU A 35 7.316 2.441 -6.476 1.00 0.00 C ATOM 477 O LEU A 35 8.265 3.135 -6.839 1.00 0.00 O ATOM 478 CB LEU A 35 7.544 -0.048 -6.377 1.00 0.00 C ATOM 479 CG LEU A 35 7.773 -1.340 -5.591 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.110 -2.515 -6.293 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.261 -1.596 -5.408 1.00 0.00 C ATOM 0 H LEU A 35 5.722 0.553 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 35 8.494 1.359 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.593 -0.130 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.322 0.035 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 35 7.320 -1.229 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.283 -3.426 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.038 -2.334 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.533 -2.628 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.405 -2.519 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.737 -1.687 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.709 -0.766 -4.862 1.00 0.00 H new ATOM 493 N GLU A 36 6.061 2.678 -6.845 1.00 0.00 N ATOM 494 CA GLU A 36 5.722 3.794 -7.721 1.00 0.00 C ATOM 495 C GLU A 36 4.331 4.335 -7.399 1.00 0.00 C ATOM 496 O GLU A 36 3.326 3.663 -7.628 1.00 0.00 O ATOM 497 CB GLU A 36 5.785 3.358 -9.186 1.00 0.00 C ATOM 498 CG GLU A 36 4.631 2.464 -9.606 1.00 0.00 C ATOM 499 CD GLU A 36 4.900 1.736 -10.909 1.00 0.00 C ATOM 500 OE1 GLU A 36 5.755 2.208 -11.687 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.255 0.694 -11.149 1.00 0.00 O ATOM 0 H GLU A 36 5.264 2.114 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 36 6.450 4.588 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.796 4.245 -9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.723 2.831 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.437 1.734 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.729 3.067 -9.711 1.00 0.00 H new ATOM 508 N GLN A 37 4.285 5.552 -6.867 1.00 0.00 N ATOM 509 CA GLN A 37 3.019 6.182 -6.513 1.00 0.00 C ATOM 510 C GLN A 37 2.196 6.489 -7.759 1.00 0.00 C ATOM 511 O GLN A 37 0.975 6.328 -7.765 1.00 0.00 O ATOM 512 CB GLN A 37 3.268 7.467 -5.722 1.00 0.00 C ATOM 513 CG GLN A 37 3.445 7.239 -4.229 1.00 0.00 C ATOM 514 CD GLN A 37 4.225 8.352 -3.557 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.888 9.149 -4.221 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.151 8.411 -2.233 1.00 0.00 N ATOM 0 H GLN A 37 5.109 6.121 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 37 2.457 5.485 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.159 7.958 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.432 8.149 -5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.465 7.153 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.960 6.292 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.589 7.730 -1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.656 9.138 -1.726 1.00 0.00 H new ATOM 525 N HIS A 38 2.872 6.934 -8.814 1.00 0.00 N ATOM 526 CA HIS A 38 2.203 7.264 -10.067 1.00 0.00 C ATOM 527 C HIS A 38 1.851 5.999 -10.845 1.00 0.00 C ATOM 528 O HIS A 38 2.734 5.288 -11.325 1.00 0.00 O ATOM 529 CB HIS A 38 3.090 8.171 -10.920 1.00 0.00 C ATOM 530 CG HIS A 38 3.520 9.422 -10.217 1.00 0.00 C ATOM 531 ND1 HIS A 38 2.668 10.478 -9.971 1.00 0.00 N ATOM 532 CD2 HIS A 38 4.719 9.781 -9.703 1.00 0.00 C ATOM 533 CE1 HIS A 38 3.325 11.433 -9.339 1.00 0.00 C ATOM 534 NE2 HIS A 38 4.572 11.035 -9.164 1.00 0.00 N ATOM 0 H HIS A 38 3.882 7.074 -8.826 1.00 0.00 H new ATOM 0 HA HIS A 38 1.279 7.792 -9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.975 7.614 -11.228 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.552 8.441 -11.829 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.623 9.191 -9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.913 12.379 -9.020 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.307 11.572 -8.703 1.00 0.00 H new ATOM 543 N VAL A 39 0.556 5.724 -10.965 1.00 0.00 N ATOM 544 CA VAL A 39 0.088 4.545 -11.684 1.00 0.00 C ATOM 545 C VAL A 39 -1.039 4.901 -12.647 1.00 0.00 C ATOM 546 O VAL A 39 -2.210 4.968 -12.274 1.00 0.00 O ATOM 547 CB VAL A 39 -0.405 3.455 -10.714 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.796 2.199 -11.477 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.661 3.147 -9.674 1.00 0.00 C ATOM 0 H VAL A 39 -0.188 6.302 -10.573 1.00 0.00 H new ATOM 0 HA VAL A 39 0.937 4.160 -12.249 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.289 3.826 -10.196 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.142 1.440 -10.775 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.595 2.434 -12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.068 1.821 -12.023 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.296 2.375 -8.997 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.565 2.795 -10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.887 4.050 -9.107 1.00 0.00 H new ATOM 559 N PRO A 40 -0.679 5.135 -13.918 1.00 0.00 N ATOM 560 CA PRO A 40 -1.646 5.487 -14.962 1.00 0.00 C ATOM 561 C PRO A 40 -2.552 4.317 -15.331 1.00 0.00 C ATOM 562 O PRO A 40 -3.721 4.508 -15.664 1.00 0.00 O ATOM 563 CB PRO A 40 -0.761 5.872 -16.150 1.00 0.00 C ATOM 564 CG PRO A 40 0.516 5.138 -15.925 1.00 0.00 C ATOM 565 CD PRO A 40 0.699 5.073 -14.434 1.00 0.00 C ATOM 0 HA PRO A 40 -2.321 6.280 -14.641 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.221 5.585 -17.096 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.597 6.949 -16.189 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.473 4.138 -16.357 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.351 5.654 -16.399 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.201 4.154 -14.130 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.303 5.903 -14.067 1.00 0.00 H new ATOM 573 N GLU A 41 -2.005 3.107 -15.267 1.00 0.00 N ATOM 574 CA GLU A 41 -2.767 1.907 -15.595 1.00 0.00 C ATOM 575 C GLU A 41 -3.963 1.750 -14.661 1.00 0.00 C ATOM 576 O GLU A 41 -5.019 1.262 -15.065 1.00 0.00 O ATOM 577 CB GLU A 41 -1.872 0.669 -15.508 1.00 0.00 C ATOM 578 CG GLU A 41 -0.715 0.684 -16.493 1.00 0.00 C ATOM 579 CD GLU A 41 -0.118 -0.693 -16.711 1.00 0.00 C ATOM 580 OE1 GLU A 41 -0.851 -1.590 -17.179 1.00 0.00 O ATOM 581 OE2 GLU A 41 1.082 -0.874 -16.415 1.00 0.00 O ATOM 0 H GLU A 41 -1.039 2.932 -14.992 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.136 2.009 -16.616 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.475 0.588 -14.496 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.477 -0.220 -15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.060 1.082 -17.447 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.060 1.358 -16.128 1.00 0.00 H new ATOM 588 N SER A 42 -3.790 2.167 -13.411 1.00 0.00 N ATOM 589 CA SER A 42 -4.853 2.069 -12.418 1.00 0.00 C ATOM 590 C SER A 42 -4.941 3.346 -11.588 1.00 0.00 C ATOM 591 O SER A 42 -3.939 3.822 -11.055 1.00 0.00 O ATOM 592 CB SER A 42 -4.615 0.867 -11.502 1.00 0.00 C ATOM 593 OG SER A 42 -5.835 0.384 -10.967 1.00 0.00 O ATOM 0 H SER A 42 -2.923 2.576 -13.062 1.00 0.00 H new ATOM 0 HA SER A 42 -5.797 1.934 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.119 0.073 -12.060 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.946 1.151 -10.690 1.00 0.00 H new ATOM 0 HG SER A 42 -5.805 0.431 -9.989 1.00 0.00 H new ATOM 599 N GLU A 43 -6.147 3.895 -11.484 1.00 0.00 N ATOM 600 CA GLU A 43 -6.366 5.117 -10.720 1.00 0.00 C ATOM 601 C GLU A 43 -6.753 4.796 -9.279 1.00 0.00 C ATOM 602 O GLU A 43 -7.697 4.048 -9.030 1.00 0.00 O ATOM 603 CB GLU A 43 -7.457 5.966 -11.375 1.00 0.00 C ATOM 604 CG GLU A 43 -6.968 6.773 -12.566 1.00 0.00 C ATOM 605 CD GLU A 43 -6.414 8.127 -12.165 1.00 0.00 C ATOM 606 OE1 GLU A 43 -5.309 8.166 -11.583 1.00 0.00 O ATOM 607 OE2 GLU A 43 -7.084 9.146 -12.433 1.00 0.00 O ATOM 0 H GLU A 43 -6.987 3.513 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.433 5.681 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.269 5.314 -11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.871 6.647 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.196 6.209 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.791 6.914 -13.267 1.00 0.00 H new ATOM 614 N GLY A 44 -6.014 5.369 -8.333 1.00 0.00 N ATOM 615 CA GLY A 44 -6.294 5.131 -6.929 1.00 0.00 C ATOM 616 C GLY A 44 -5.652 3.857 -6.417 1.00 0.00 C ATOM 617 O GLY A 44 -6.116 3.270 -5.439 1.00 0.00 O ATOM 0 H GLY A 44 -5.228 5.993 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.935 5.976 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.373 5.075 -6.781 1.00 0.00 H new ATOM 621 N TRP A 45 -4.585 3.426 -7.080 1.00 0.00 N ATOM 622 CA TRP A 45 -3.880 2.211 -6.687 1.00 0.00 C ATOM 623 C TRP A 45 -2.380 2.461 -6.584 1.00 0.00 C ATOM 624 O TRP A 45 -1.832 3.305 -7.294 1.00 0.00 O ATOM 625 CB TRP A 45 -4.155 1.090 -7.690 1.00 0.00 C ATOM 626 CG TRP A 45 -5.556 0.560 -7.619 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.658 1.071 -8.243 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.003 -0.582 -6.882 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.764 0.315 -7.937 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.388 -0.706 -7.104 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.368 -1.514 -6.056 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.146 -1.723 -6.530 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.121 -2.523 -5.487 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.499 -2.621 -5.726 1.00 0.00 C ATOM 0 H TRP A 45 -4.189 3.900 -7.892 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.247 1.909 -5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.964 1.459 -8.698 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.456 0.273 -7.512 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.660 1.941 -8.883 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.711 0.486 -8.275 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.307 -1.446 -5.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.208 -1.800 -6.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.640 -3.248 -4.847 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.061 -3.421 -5.266 1.00 0.00 H new ATOM 645 N TRP A 46 -1.721 1.724 -5.698 1.00 0.00 N ATOM 646 CA TRP A 46 -0.282 1.867 -5.503 1.00 0.00 C ATOM 647 C TRP A 46 0.418 0.517 -5.613 1.00 0.00 C ATOM 648 O TRP A 46 -0.028 -0.474 -5.036 1.00 0.00 O ATOM 649 CB TRP A 46 0.009 2.497 -4.140 1.00 0.00 C ATOM 650 CG TRP A 46 -0.234 3.976 -4.106 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.167 4.842 -5.159 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.580 4.761 -2.959 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.451 6.119 -4.737 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.709 6.095 -3.392 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.796 4.466 -1.610 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.042 7.130 -2.522 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.126 5.494 -0.749 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.248 6.813 -1.207 1.00 0.00 C ATOM 0 H TRP A 46 -2.159 1.021 -5.103 1.00 0.00 H new ATOM 0 HA TRP A 46 0.103 2.520 -6.286 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.613 2.016 -3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.047 2.300 -3.871 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.074 4.565 -6.175 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.467 6.949 -5.329 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.706 3.453 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.134 8.147 -2.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.293 5.278 0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.510 7.594 -0.509 1.00 0.00 H new ATOM 669 N LYS A 47 1.519 0.486 -6.357 1.00 0.00 N ATOM 670 CA LYS A 47 2.283 -0.742 -6.542 1.00 0.00 C ATOM 671 C LYS A 47 3.350 -0.887 -5.462 1.00 0.00 C ATOM 672 O LYS A 47 4.421 -0.286 -5.550 1.00 0.00 O ATOM 673 CB LYS A 47 2.937 -0.757 -7.925 1.00 0.00 C ATOM 674 CG LYS A 47 3.204 -2.154 -8.457 1.00 0.00 C ATOM 675 CD LYS A 47 3.598 -2.126 -9.925 1.00 0.00 C ATOM 676 CE LYS A 47 2.376 -2.095 -10.829 1.00 0.00 C ATOM 677 NZ LYS A 47 1.781 -3.449 -11.005 1.00 0.00 N ATOM 0 H LYS A 47 1.902 1.298 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 47 1.595 -1.584 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.294 -0.227 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.878 -0.209 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.999 -2.620 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.313 -2.769 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.218 -1.251 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.202 -3.003 -10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.629 -1.422 -10.407 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.655 -1.692 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.950 -3.385 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.485 -4.085 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.491 -3.824 -10.079 1.00 0.00 H new ATOM 691 N CYS A 48 3.050 -1.688 -4.445 1.00 0.00 N ATOM 692 CA CYS A 48 3.985 -1.912 -3.347 1.00 0.00 C ATOM 693 C CYS A 48 4.553 -3.326 -3.398 1.00 0.00 C ATOM 694 O CYS A 48 4.129 -4.149 -4.210 1.00 0.00 O ATOM 695 CB CYS A 48 3.293 -1.675 -2.005 1.00 0.00 C ATOM 696 SG CYS A 48 2.470 -0.070 -1.871 1.00 0.00 S ATOM 0 H CYS A 48 2.168 -2.193 -4.358 1.00 0.00 H new ATOM 0 HA CYS A 48 4.808 -1.205 -3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.557 -2.463 -1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.031 -1.760 -1.208 1.00 0.00 H new ATOM 0 HG CYS A 48 1.912 0.035 -0.701 1.00 0.00 H new ATOM 702 N LEU A 49 5.517 -3.602 -2.526 1.00 0.00 N ATOM 703 CA LEU A 49 6.146 -4.917 -2.471 1.00 0.00 C ATOM 704 C LEU A 49 6.115 -5.477 -1.053 1.00 0.00 C ATOM 705 O LEU A 49 6.561 -4.826 -0.107 1.00 0.00 O ATOM 706 CB LEU A 49 7.591 -4.834 -2.968 1.00 0.00 C ATOM 707 CG LEU A 49 8.357 -6.156 -3.028 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.573 -6.711 -1.629 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.615 -7.163 -3.894 1.00 0.00 C ATOM 0 H LEU A 49 5.880 -2.933 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 49 5.583 -5.589 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.586 -4.394 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.138 -4.149 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 49 9.332 -5.969 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.120 -7.652 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.147 -5.996 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.608 -6.883 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.175 -8.098 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.626 -7.346 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.512 -6.768 -4.905 1.00 0.00 H new ATOM 721 N LEU A 50 5.589 -6.688 -0.912 1.00 0.00 N ATOM 722 CA LEU A 50 5.502 -7.338 0.391 1.00 0.00 C ATOM 723 C LEU A 50 5.586 -8.854 0.250 1.00 0.00 C ATOM 724 O LEU A 50 4.914 -9.448 -0.593 1.00 0.00 O ATOM 725 CB LEU A 50 4.197 -6.951 1.090 1.00 0.00 C ATOM 726 CG LEU A 50 4.142 -7.204 2.597 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.638 -5.986 3.361 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.728 -7.565 3.026 1.00 0.00 C ATOM 0 H LEU A 50 5.216 -7.240 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 50 6.344 -7.001 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.014 -5.891 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.380 -7.499 0.620 1.00 0.00 H new ATOM 0 HG LEU A 50 4.796 -8.044 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.592 -6.184 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.668 -5.772 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.010 -5.127 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.708 -7.742 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.053 -6.745 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.409 -8.467 2.504 1.00 0.00 H new ATOM 740 N HIS A 51 6.415 -9.476 1.084 1.00 0.00 N ATOM 741 CA HIS A 51 6.585 -10.924 1.054 1.00 0.00 C ATOM 742 C HIS A 51 6.603 -11.440 -0.382 1.00 0.00 C ATOM 743 O HIS A 51 6.025 -12.483 -0.684 1.00 0.00 O ATOM 744 CB HIS A 51 5.465 -11.607 1.840 1.00 0.00 C ATOM 745 CG HIS A 51 5.529 -11.355 3.315 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.204 -12.310 4.256 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.884 -10.250 4.010 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.356 -11.802 5.466 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.768 -10.553 5.344 1.00 0.00 N ATOM 0 H HIS A 51 6.979 -9.000 1.788 1.00 0.00 H new ATOM 0 HA HIS A 51 7.542 -11.162 1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.503 -11.260 1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.509 -12.681 1.661 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.200 -9.305 3.593 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.174 -12.320 6.396 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.968 -9.917 6.116 1.00 0.00 H new ATOM 758 N GLY A 52 7.269 -10.700 -1.263 1.00 0.00 N ATOM 759 CA GLY A 52 7.349 -11.099 -2.656 1.00 0.00 C ATOM 760 C GLY A 52 5.993 -11.108 -3.335 1.00 0.00 C ATOM 761 O GLY A 52 5.611 -12.099 -3.958 1.00 0.00 O ATOM 0 H GLY A 52 7.754 -9.832 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.014 -10.419 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.791 -12.093 -2.721 1.00 0.00 H new ATOM 765 N ARG A 53 5.265 -10.004 -3.213 1.00 0.00 N ATOM 766 CA ARG A 53 3.943 -9.890 -3.817 1.00 0.00 C ATOM 767 C ARG A 53 4.003 -9.077 -5.107 1.00 0.00 C ATOM 768 O ARG A 53 3.681 -9.580 -6.183 1.00 0.00 O ATOM 769 CB ARG A 53 2.965 -9.239 -2.836 1.00 0.00 C ATOM 770 CG ARG A 53 2.477 -10.181 -1.748 1.00 0.00 C ATOM 771 CD ARG A 53 1.232 -10.939 -2.183 1.00 0.00 C ATOM 772 NE ARG A 53 1.532 -11.946 -3.198 1.00 0.00 N ATOM 773 CZ ARG A 53 1.955 -13.172 -2.913 1.00 0.00 C ATOM 774 NH1 ARG A 53 2.127 -13.542 -1.652 1.00 0.00 N ATOM 775 NH2 ARG A 53 2.206 -14.032 -3.892 1.00 0.00 N ATOM 0 H ARG A 53 5.568 -9.175 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 53 3.593 -10.894 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.448 -8.380 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.106 -8.861 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.267 -10.890 -1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.261 -9.613 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.780 -11.421 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.498 -10.236 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 53 1.410 -11.694 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.934 -12.884 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.452 -14.485 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.074 -13.751 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.531 -14.974 -3.673 1.00 0.00 H new ATOM 789 N GLN A 54 4.416 -7.819 -4.989 1.00 0.00 N ATOM 790 CA GLN A 54 4.516 -6.937 -6.146 1.00 0.00 C ATOM 791 C GLN A 54 3.145 -6.702 -6.772 1.00 0.00 C ATOM 792 O GLN A 54 2.963 -6.881 -7.975 1.00 0.00 O ATOM 793 CB GLN A 54 5.469 -7.531 -7.185 1.00 0.00 C ATOM 794 CG GLN A 54 6.916 -7.102 -6.998 1.00 0.00 C ATOM 795 CD GLN A 54 7.706 -7.137 -8.291 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.974 -8.207 -8.839 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.085 -5.965 -8.786 1.00 0.00 N ATOM 0 H GLN A 54 4.686 -7.388 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 54 4.910 -5.978 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.412 -8.619 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.137 -7.237 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.942 -6.092 -6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.393 -7.755 -6.267 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.841 -5.103 -8.299 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.620 -5.927 -9.654 1.00 0.00 H new ATOM 806 N GLY A 55 2.184 -6.301 -5.946 1.00 0.00 N ATOM 807 CA GLY A 55 0.842 -6.049 -6.437 1.00 0.00 C ATOM 808 C GLY A 55 0.377 -4.634 -6.152 1.00 0.00 C ATOM 809 O GLY A 55 1.107 -3.841 -5.557 1.00 0.00 O ATOM 0 H GLY A 55 2.311 -6.146 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.812 -6.229 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.151 -6.755 -5.976 1.00 0.00 H new ATOM 813 N LEU A 56 -0.840 -4.316 -6.579 1.00 0.00 N ATOM 814 CA LEU A 56 -1.402 -2.987 -6.368 1.00 0.00 C ATOM 815 C LEU A 56 -2.114 -2.904 -5.022 1.00 0.00 C ATOM 816 O LEU A 56 -2.369 -3.922 -4.380 1.00 0.00 O ATOM 817 CB LEU A 56 -2.376 -2.638 -7.496 1.00 0.00 C ATOM 818 CG LEU A 56 -1.855 -2.842 -8.919 1.00 0.00 C ATOM 819 CD1 LEU A 56 -3.003 -2.818 -9.916 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.822 -1.779 -9.266 1.00 0.00 C ATOM 0 H LEU A 56 -1.457 -4.961 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.582 -2.269 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.277 -3.239 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.671 -1.595 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.374 -3.819 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.613 -2.965 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.707 -3.616 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.513 -1.856 -9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.462 -1.940 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.278 -0.792 -9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.015 -1.844 -8.570 1.00 0.00 H new ATOM 832 N ALA A 57 -2.435 -1.684 -4.602 1.00 0.00 N ATOM 833 CA ALA A 57 -3.122 -1.468 -3.335 1.00 0.00 C ATOM 834 C ALA A 57 -3.934 -0.178 -3.363 1.00 0.00 C ATOM 835 O ALA A 57 -3.526 0.828 -3.945 1.00 0.00 O ATOM 836 CB ALA A 57 -2.121 -1.439 -2.190 1.00 0.00 C ATOM 0 H ALA A 57 -2.230 -0.830 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.812 -2.297 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.648 -1.277 -1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.588 -2.389 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.408 -0.630 -2.350 1.00 0.00 H new ATOM 842 N PRO A 58 -5.111 -0.204 -2.721 1.00 0.00 N ATOM 843 CA PRO A 58 -6.005 0.956 -2.658 1.00 0.00 C ATOM 844 C PRO A 58 -5.443 2.074 -1.787 1.00 0.00 C ATOM 845 O PRO A 58 -5.409 1.962 -0.562 1.00 0.00 O ATOM 846 CB PRO A 58 -7.283 0.386 -2.039 1.00 0.00 C ATOM 847 CG PRO A 58 -6.829 -0.795 -1.253 1.00 0.00 C ATOM 848 CD PRO A 58 -5.660 -1.368 -2.006 1.00 0.00 C ATOM 0 HA PRO A 58 -6.156 1.408 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.776 1.120 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.001 0.098 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.538 -0.504 -0.244 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.628 -1.530 -1.155 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.925 -1.809 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.972 -2.153 -2.695 1.00 0.00 H new ATOM 856 N ALA A 59 -5.004 3.153 -2.427 1.00 0.00 N ATOM 857 CA ALA A 59 -4.446 4.293 -1.709 1.00 0.00 C ATOM 858 C ALA A 59 -5.434 4.831 -0.680 1.00 0.00 C ATOM 859 O ALA A 59 -5.071 5.624 0.188 1.00 0.00 O ATOM 860 CB ALA A 59 -4.049 5.389 -2.687 1.00 0.00 C ATOM 0 H ALA A 59 -5.024 3.262 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.556 3.956 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.634 6.234 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.301 5.004 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.927 5.715 -3.244 1.00 0.00 H new ATOM 866 N ASN A 60 -6.686 4.395 -0.784 1.00 0.00 N ATOM 867 CA ASN A 60 -7.727 4.835 0.137 1.00 0.00 C ATOM 868 C ASN A 60 -7.604 4.119 1.479 1.00 0.00 C ATOM 869 O ASN A 60 -8.075 4.614 2.504 1.00 0.00 O ATOM 870 CB ASN A 60 -9.110 4.579 -0.464 1.00 0.00 C ATOM 871 CG ASN A 60 -9.529 5.667 -1.434 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.773 5.404 -2.612 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.614 6.898 -0.942 1.00 0.00 N ATOM 0 H ASN A 60 -7.003 3.738 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.602 5.905 0.303 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.107 3.618 -0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.845 4.509 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.891 7.671 -1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.403 7.070 0.041 1.00 0.00 H new ATOM 880 N ARG A 61 -6.967 2.953 1.465 1.00 0.00 N ATOM 881 CA ARG A 61 -6.782 2.169 2.680 1.00 0.00 C ATOM 882 C ARG A 61 -5.327 2.209 3.137 1.00 0.00 C ATOM 883 O ARG A 61 -4.944 1.525 4.087 1.00 0.00 O ATOM 884 CB ARG A 61 -7.215 0.720 2.449 1.00 0.00 C ATOM 885 CG ARG A 61 -8.646 0.583 1.955 1.00 0.00 C ATOM 886 CD ARG A 61 -9.188 -0.817 2.199 1.00 0.00 C ATOM 887 NE ARG A 61 -10.648 -0.838 2.243 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.363 -0.246 3.192 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.757 0.411 4.172 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.688 -0.310 3.163 1.00 0.00 N ATOM 0 H ARG A 61 -6.570 2.530 0.626 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.403 2.606 3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.544 0.260 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.106 0.164 3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.278 1.312 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.688 0.810 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.839 -1.483 1.410 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.791 -1.201 3.139 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.145 -1.335 1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.739 0.463 4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.309 0.865 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.158 -0.814 2.411 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.237 0.145 3.893 1.00 0.00 H new ATOM 904 N LEU A 62 -4.520 3.014 2.455 1.00 0.00 N ATOM 905 CA LEU A 62 -3.106 3.144 2.790 1.00 0.00 C ATOM 906 C LEU A 62 -2.840 4.450 3.532 1.00 0.00 C ATOM 907 O LEU A 62 -3.514 5.454 3.301 1.00 0.00 O ATOM 908 CB LEU A 62 -2.253 3.082 1.521 1.00 0.00 C ATOM 909 CG LEU A 62 -1.905 1.683 1.014 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.239 0.868 2.112 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.152 0.974 0.504 1.00 0.00 C ATOM 0 H LEU A 62 -4.821 3.587 1.666 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.835 2.315 3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.778 3.614 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.324 3.621 1.705 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.203 1.782 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.998 -0.125 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.323 1.366 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.917 0.778 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.885 -0.021 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.877 0.886 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.588 1.548 -0.314 1.00 0.00 H new ATOM 923 N GLN A 63 -1.852 4.429 4.421 1.00 0.00 N ATOM 924 CA GLN A 63 -1.497 5.612 5.195 1.00 0.00 C ATOM 925 C GLN A 63 -0.060 6.036 4.911 1.00 0.00 C ATOM 926 O GLN A 63 0.886 5.455 5.444 1.00 0.00 O ATOM 927 CB GLN A 63 -1.676 5.342 6.690 1.00 0.00 C ATOM 928 CG GLN A 63 -1.189 6.477 7.576 1.00 0.00 C ATOM 929 CD GLN A 63 -1.692 6.361 9.002 1.00 0.00 C ATOM 930 OE1 GLN A 63 -2.847 6.672 9.292 1.00 0.00 O ATOM 931 NE2 GLN A 63 -0.824 5.912 9.901 1.00 0.00 N ATOM 0 H GLN A 63 -1.284 3.606 4.623 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.162 6.423 4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.731 5.160 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.139 4.431 6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.099 6.489 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.517 7.428 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.124 5.666 9.616 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.105 5.813 10.876 1.00 0.00 H new ATOM 940 N ILE A 64 0.097 7.052 4.070 1.00 0.00 N ATOM 941 CA ILE A 64 1.419 7.555 3.716 1.00 0.00 C ATOM 942 C ILE A 64 2.093 8.216 4.913 1.00 0.00 C ATOM 943 O ILE A 64 1.563 9.166 5.492 1.00 0.00 O ATOM 944 CB ILE A 64 1.345 8.567 2.558 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.618 7.953 1.360 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.742 9.020 2.161 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.510 7.106 0.480 1.00 0.00 C ATOM 0 H ILE A 64 -0.675 7.544 3.620 1.00 0.00 H new ATOM 0 HA ILE A 64 2.010 6.696 3.398 1.00 0.00 H new ATOM 0 HB ILE A 64 0.782 9.439 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.208 7.341 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.184 8.753 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.673 9.735 1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.228 9.492 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.327 8.158 1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.927 6.703 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.322 7.718 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.924 6.285 1.065 1.00 0.00 H new ATOM 959 N LEU A 65 3.266 7.711 5.278 1.00 0.00 N ATOM 960 CA LEU A 65 4.016 8.254 6.405 1.00 0.00 C ATOM 961 C LEU A 65 5.131 9.176 5.924 1.00 0.00 C ATOM 962 O LEU A 65 5.829 8.871 4.957 1.00 0.00 O ATOM 963 CB LEU A 65 4.604 7.119 7.246 1.00 0.00 C ATOM 964 CG LEU A 65 3.598 6.137 7.846 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.285 4.835 8.227 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.908 6.752 9.055 1.00 0.00 C ATOM 0 H LEU A 65 3.719 6.926 4.810 1.00 0.00 H new ATOM 0 HA LEU A 65 3.329 8.836 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.303 6.558 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.182 7.558 8.059 1.00 0.00 H new ATOM 0 HG LEU A 65 2.841 5.917 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.553 4.148 8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.731 4.386 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.064 5.036 8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.195 6.039 9.469 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.653 7.002 9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.381 7.657 8.752 1.00 0.00 H new ATOM 978 N SER A 66 5.294 10.306 6.606 1.00 0.00 N ATOM 979 CA SER A 66 6.323 11.274 6.247 1.00 0.00 C ATOM 980 C SER A 66 6.662 12.172 7.433 1.00 0.00 C ATOM 981 O SER A 66 5.845 12.365 8.333 1.00 0.00 O ATOM 982 CB SER A 66 5.861 12.126 5.063 1.00 0.00 C ATOM 983 OG SER A 66 6.968 12.618 4.326 1.00 0.00 O ATOM 0 H SER A 66 4.726 10.573 7.410 1.00 0.00 H new ATOM 0 HA SER A 66 7.220 10.724 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.221 11.532 4.411 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.260 12.961 5.424 1.00 0.00 H new ATOM 0 HG SER A 66 6.646 13.158 3.574 1.00 0.00 H new ATOM 989 N GLY A 67 7.874 12.719 7.426 1.00 0.00 N ATOM 990 CA GLY A 67 8.300 13.590 8.506 1.00 0.00 C ATOM 991 C GLY A 67 7.612 14.940 8.468 1.00 0.00 C ATOM 992 O GLY A 67 6.540 15.098 7.884 1.00 0.00 O ATOM 0 H GLY A 67 8.568 12.575 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.093 13.107 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.379 13.734 8.449 1.00 0.00 H new ATOM 996 N PRO A 68 8.234 15.944 9.104 1.00 0.00 N ATOM 997 CA PRO A 68 7.692 17.305 9.156 1.00 0.00 C ATOM 998 C PRO A 68 7.743 18.001 7.800 1.00 0.00 C ATOM 999 O PRO A 68 7.111 19.038 7.600 1.00 0.00 O ATOM 1000 CB PRO A 68 8.608 18.014 10.156 1.00 0.00 C ATOM 1001 CG PRO A 68 9.890 17.257 10.098 1.00 0.00 C ATOM 1002 CD PRO A 68 9.515 15.828 9.821 1.00 0.00 C ATOM 0 HA PRO A 68 6.640 17.314 9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.753 19.060 9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.185 17.999 11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.539 17.649 9.315 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.436 17.342 11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.270 15.325 9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.410 15.255 10.742 1.00 0.00 H new ATOM 1010 N SER A 69 8.500 17.425 6.872 1.00 0.00 N ATOM 1011 CA SER A 69 8.637 17.993 5.536 1.00 0.00 C ATOM 1012 C SER A 69 7.288 18.474 5.010 1.00 0.00 C ATOM 1013 O SER A 69 6.419 17.671 4.672 1.00 0.00 O ATOM 1014 CB SER A 69 9.231 16.959 4.578 1.00 0.00 C ATOM 1015 OG SER A 69 8.441 15.783 4.542 1.00 0.00 O ATOM 0 H SER A 69 9.028 16.565 7.021 1.00 0.00 H new ATOM 0 HA SER A 69 9.310 18.849 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.301 17.384 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.245 16.710 4.890 1.00 0.00 H new ATOM 0 HG SER A 69 7.492 16.025 4.576 1.00 0.00 H new ATOM 1021 N SER A 70 7.121 19.791 4.944 1.00 0.00 N ATOM 1022 CA SER A 70 5.878 20.381 4.463 1.00 0.00 C ATOM 1023 C SER A 70 5.709 20.147 2.965 1.00 0.00 C ATOM 1024 O SER A 70 6.652 20.305 2.191 1.00 0.00 O ATOM 1025 CB SER A 70 5.850 21.881 4.763 1.00 0.00 C ATOM 1026 OG SER A 70 4.524 22.380 4.748 1.00 0.00 O ATOM 0 H SER A 70 7.831 20.470 5.218 1.00 0.00 H new ATOM 0 HA SER A 70 5.051 19.898 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.301 22.069 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.451 22.414 4.026 1.00 0.00 H new ATOM 0 HG SER A 70 4.534 23.340 4.944 1.00 0.00 H new ATOM 1032 N GLY A 71 4.499 19.770 2.563 1.00 0.00 N ATOM 1033 CA GLY A 71 4.228 19.520 1.160 1.00 0.00 C ATOM 1034 C GLY A 71 2.866 20.030 0.733 1.00 0.00 C ATOM 1035 O GLY A 71 2.046 19.271 0.214 1.00 0.00 O ATOM 0 H GLY A 71 3.702 19.633 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.998 19.997 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.289 18.449 0.967 1.00 0.00 H new TER 1039 GLY A 71