USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot 162:sc= 0.661 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 171:sc= 0.753 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : 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 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 24 GLN : amide:sc=-0.00566 X(o=-0.0057,f=-0.0057) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 28 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.18) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.048) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -0.0517 (180deg=-0.053) USER MOD Single : A 52 SER OG : rot 73:sc= 0.549 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -70:sc= 0.101 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 61 GLN : amide:sc= 0.153 K(o=0.15,f=-0.64) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -59:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 2.181 5.841 -5.033 1.00 10.00 N ATOM 59 CA TRP A 5 1.538 7.084 -4.598 1.00 10.00 C ATOM 60 C TRP A 5 2.446 8.037 -3.821 1.00 10.00 C ATOM 61 O TRP A 5 2.492 9.223 -4.133 1.00 10.00 O ATOM 62 CB TRP A 5 0.273 6.727 -3.798 1.00 10.00 C ATOM 63 CG TRP A 5 0.475 5.766 -2.661 1.00 10.00 C ATOM 64 CD1 TRP A 5 0.687 6.105 -1.368 1.00 10.00 C ATOM 65 CD2 TRP A 5 0.519 4.302 -2.700 1.00 10.00 C ATOM 66 NE1 TRP A 5 0.881 4.963 -0.613 1.00 10.00 N ATOM 67 CE2 TRP A 5 0.801 3.824 -1.384 1.00 10.00 C ATOM 68 CE3 TRP A 5 0.362 3.330 -3.715 1.00 10.00 C ATOM 69 CZ2 TRP A 5 0.936 2.458 -1.092 1.00 10.00 C ATOM 70 CZ3 TRP A 5 0.499 1.956 -3.434 1.00 10.00 C ATOM 71 CH2 TRP A 5 0.787 1.519 -2.127 1.00 10.00 C ATOM 0 HA TRP A 5 1.279 7.645 -5.496 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -0.156 7.647 -3.401 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -0.461 6.303 -4.483 1.00 10.00 H new ATOM 0 HD1 TRP A 5 0.702 7.114 -0.984 1.00 10.00 H new ATOM 0 HE1 TRP A 5 1.061 4.964 0.391 1.00 10.00 H new ATOM 0 HE3 TRP A 5 0.133 3.646 -4.722 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 1.152 2.133 -0.085 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 0.382 1.233 -4.227 1.00 10.00 H new ATOM 0 HH2 TRP A 5 0.893 0.464 -1.920 1.00 10.00 H new ATOM 82 N SER A 6 3.213 7.550 -2.851 1.00 10.00 N ATOM 83 CA SER A 6 4.010 8.388 -1.935 1.00 10.00 C ATOM 84 C SER A 6 5.134 9.215 -2.599 1.00 10.00 C ATOM 85 O SER A 6 5.745 10.057 -1.935 1.00 10.00 O ATOM 86 CB SER A 6 4.591 7.504 -0.822 1.00 10.00 C ATOM 87 OG SER A 6 5.391 6.466 -1.372 1.00 10.00 O ATOM 0 H SER A 6 3.306 6.551 -2.669 1.00 10.00 H new ATOM 0 HA SER A 6 3.319 9.131 -1.537 1.00 10.00 H new ATOM 0 HB2 SER A 6 5.190 8.111 -0.144 1.00 10.00 H new ATOM 0 HB3 SER A 6 3.781 7.073 -0.233 1.00 10.00 H new ATOM 0 HG SER A 6 5.754 5.914 -0.648 1.00 10.00 H new ATOM 93 N GLY A 7 5.382 9.031 -3.903 1.00 10.00 N ATOM 94 CA GLY A 7 6.308 9.821 -4.728 1.00 10.00 C ATOM 95 C GLY A 7 5.686 10.371 -6.024 1.00 10.00 C ATOM 96 O GLY A 7 6.420 10.673 -6.968 1.00 10.00 O ATOM 0 H GLY A 7 4.922 8.294 -4.436 1.00 10.00 H new ATOM 0 HA2 GLY A 7 6.683 10.656 -4.136 1.00 10.00 H new ATOM 0 HA3 GLY A 7 7.167 9.201 -4.985 1.00 10.00 H new ATOM 100 N TYR A 8 4.352 10.489 -6.091 1.00 10.00 N ATOM 101 CA TYR A 8 3.597 10.957 -7.260 1.00 10.00 C ATOM 102 C TYR A 8 2.277 11.678 -6.915 1.00 10.00 C ATOM 103 O TYR A 8 1.906 12.661 -7.561 1.00 10.00 O ATOM 104 CB TYR A 8 3.325 9.748 -8.170 1.00 10.00 C ATOM 105 CG TYR A 8 2.643 10.078 -9.486 1.00 10.00 C ATOM 106 CD1 TYR A 8 3.317 10.857 -10.449 1.00 10.00 C ATOM 107 CD2 TYR A 8 1.344 9.601 -9.753 1.00 10.00 C ATOM 108 CE1 TYR A 8 2.692 11.165 -11.672 1.00 10.00 C ATOM 109 CE2 TYR A 8 0.720 9.897 -10.982 1.00 10.00 C ATOM 110 CZ TYR A 8 1.391 10.687 -11.943 1.00 10.00 C ATOM 111 OH TYR A 8 0.796 10.987 -13.130 1.00 10.00 O ATOM 0 H TYR A 8 3.748 10.252 -5.304 1.00 10.00 H new ATOM 0 HA TYR A 8 4.207 11.707 -7.763 1.00 10.00 H new ATOM 0 HB2 TYR A 8 4.272 9.252 -8.383 1.00 10.00 H new ATOM 0 HB3 TYR A 8 2.706 9.034 -7.626 1.00 10.00 H new ATOM 0 HD1 TYR A 8 4.315 11.218 -10.248 1.00 10.00 H new ATOM 0 HD2 TYR A 8 0.826 9.007 -9.015 1.00 10.00 H new ATOM 0 HE1 TYR A 8 3.208 11.768 -12.404 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -0.271 9.520 -11.189 1.00 10.00 H new ATOM 0 HH TYR A 8 -0.096 10.582 -13.160 1.00 10.00 H new ATOM 121 N LEU A 9 1.593 11.227 -5.859 1.00 10.00 N ATOM 122 CA LEU A 9 0.313 11.732 -5.349 1.00 10.00 C ATOM 123 C LEU A 9 0.323 13.238 -5.061 1.00 10.00 C ATOM 124 O LEU A 9 -0.680 13.907 -5.294 1.00 10.00 O ATOM 125 CB LEU A 9 -0.022 10.898 -4.091 1.00 10.00 C ATOM 126 CG LEU A 9 -1.320 11.159 -3.308 1.00 10.00 C ATOM 127 CD1 LEU A 9 -1.250 12.405 -2.415 1.00 10.00 C ATOM 128 CD2 LEU A 9 -2.544 11.157 -4.221 1.00 10.00 C ATOM 0 H LEU A 9 1.941 10.448 -5.300 1.00 10.00 H new ATOM 0 HA LEU A 9 -0.458 11.617 -6.111 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -0.032 9.850 -4.392 1.00 10.00 H new ATOM 0 HB3 LEU A 9 0.806 11.021 -3.393 1.00 10.00 H new ATOM 0 HG LEU A 9 -1.435 10.320 -2.621 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -2.198 12.531 -1.891 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -0.447 12.287 -1.688 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -1.056 13.283 -3.031 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -3.440 11.345 -3.629 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -2.437 11.937 -4.975 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -2.630 10.188 -4.712 1.00 10.00 H new ATOM 140 N ASP A 10 1.442 13.775 -4.575 1.00 10.00 N ATOM 141 CA ASP A 10 1.551 15.160 -4.097 1.00 10.00 C ATOM 142 C ASP A 10 1.155 16.225 -5.140 1.00 10.00 C ATOM 143 O ASP A 10 0.590 17.254 -4.776 1.00 10.00 O ATOM 144 CB ASP A 10 2.981 15.388 -3.588 1.00 10.00 C ATOM 145 CG ASP A 10 3.156 16.773 -2.938 1.00 10.00 C ATOM 146 OD1 ASP A 10 2.652 16.979 -1.807 1.00 10.00 O ATOM 147 OD2 ASP A 10 3.828 17.647 -3.539 1.00 10.00 O ATOM 0 H ASP A 10 2.315 13.254 -4.500 1.00 10.00 H new ATOM 0 HA ASP A 10 0.828 15.285 -3.291 1.00 10.00 H new ATOM 0 HB2 ASP A 10 3.234 14.614 -2.863 1.00 10.00 H new ATOM 0 HB3 ASP A 10 3.680 15.288 -4.418 1.00 10.00 H new ATOM 152 N ASP A 11 1.385 15.968 -6.432 1.00 10.00 N ATOM 153 CA ASP A 11 0.925 16.835 -7.530 1.00 10.00 C ATOM 154 C ASP A 11 -0.514 16.536 -7.977 1.00 10.00 C ATOM 155 O ASP A 11 -1.287 17.441 -8.297 1.00 10.00 O ATOM 156 CB ASP A 11 1.903 16.700 -8.706 1.00 10.00 C ATOM 157 CG ASP A 11 1.560 17.660 -9.857 1.00 10.00 C ATOM 158 OD1 ASP A 11 1.766 18.888 -9.703 1.00 10.00 O ATOM 159 OD2 ASP A 11 1.109 17.189 -10.929 1.00 10.00 O ATOM 0 H ASP A 11 1.899 15.147 -6.751 1.00 10.00 H new ATOM 0 HA ASP A 11 0.910 17.861 -7.163 1.00 10.00 H new ATOM 0 HB2 ASP A 11 2.917 16.899 -8.358 1.00 10.00 H new ATOM 0 HB3 ASP A 11 1.888 15.674 -9.074 1.00 10.00 H new ATOM 164 N VAL A 12 -0.882 15.257 -7.957 1.00 10.00 N ATOM 165 CA VAL A 12 -2.160 14.722 -8.418 1.00 10.00 C ATOM 166 C VAL A 12 -3.306 15.147 -7.509 1.00 10.00 C ATOM 167 O VAL A 12 -4.277 15.750 -7.959 1.00 10.00 O ATOM 168 CB VAL A 12 -2.044 13.190 -8.495 1.00 10.00 C ATOM 169 CG1 VAL A 12 -3.383 12.500 -8.761 1.00 10.00 C ATOM 170 CG2 VAL A 12 -1.028 12.828 -9.584 1.00 10.00 C ATOM 0 H VAL A 12 -0.264 14.528 -7.600 1.00 10.00 H new ATOM 0 HA VAL A 12 -2.387 15.123 -9.406 1.00 10.00 H new ATOM 0 HB VAL A 12 -1.708 12.830 -7.522 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -3.234 11.421 -8.804 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -4.081 12.738 -7.958 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -3.790 12.848 -9.710 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -0.936 11.744 -9.650 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -1.366 13.222 -10.542 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -0.059 13.260 -9.336 1.00 10.00 H new ATOM 180 N SER A 13 -3.167 14.876 -6.215 1.00 10.00 N ATOM 181 CA SER A 13 -4.115 15.260 -5.177 1.00 10.00 C ATOM 182 C SER A 13 -4.190 16.771 -5.003 1.00 10.00 C ATOM 183 O SER A 13 -5.267 17.321 -4.776 1.00 10.00 O ATOM 184 CB SER A 13 -3.725 14.586 -3.865 1.00 10.00 C ATOM 185 OG SER A 13 -4.666 14.857 -2.841 1.00 10.00 O ATOM 0 H SER A 13 -2.363 14.366 -5.849 1.00 10.00 H new ATOM 0 HA SER A 13 -5.108 14.928 -5.480 1.00 10.00 H new ATOM 0 HB2 SER A 13 -3.651 13.509 -4.016 1.00 10.00 H new ATOM 0 HB3 SER A 13 -2.739 14.933 -3.556 1.00 10.00 H new ATOM 0 HG SER A 13 -4.388 14.410 -2.015 1.00 10.00 H new ATOM 191 N ALA A 14 -3.072 17.481 -5.184 1.00 10.00 N ATOM 192 CA ALA A 14 -3.089 18.925 -5.026 1.00 10.00 C ATOM 193 C ALA A 14 -3.962 19.651 -6.077 1.00 10.00 C ATOM 194 O ALA A 14 -4.467 20.743 -5.804 1.00 10.00 O ATOM 195 CB ALA A 14 -1.686 19.509 -4.969 1.00 10.00 C ATOM 0 H ALA A 14 -2.166 17.084 -5.434 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.564 19.106 -4.062 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -1.747 20.591 -4.850 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.148 19.081 -4.123 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.156 19.274 -5.892 1.00 10.00 H new ATOM 201 N LYS A 15 -4.197 19.042 -7.256 1.00 10.00 N ATOM 202 CA LYS A 15 -5.154 19.538 -8.260 1.00 10.00 C ATOM 203 C LYS A 15 -6.580 19.644 -7.697 1.00 10.00 C ATOM 204 O LYS A 15 -7.284 20.614 -7.980 1.00 10.00 O ATOM 205 CB LYS A 15 -5.046 18.742 -9.579 1.00 10.00 C ATOM 206 CG LYS A 15 -6.150 17.698 -9.837 1.00 10.00 C ATOM 207 CD LYS A 15 -5.830 16.797 -11.037 1.00 10.00 C ATOM 208 CE LYS A 15 -5.787 17.572 -12.362 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.531 16.670 -13.516 1.00 10.00 N ATOM 0 H LYS A 15 -3.723 18.184 -7.539 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.882 20.562 -8.514 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -5.044 19.450 -10.407 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -4.083 18.232 -9.594 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -6.280 17.082 -8.947 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -7.097 18.209 -10.011 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -4.869 16.309 -10.874 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.580 16.009 -11.105 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -6.733 18.093 -12.510 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -5.008 18.333 -12.314 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -5.509 17.227 -14.394 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.617 16.191 -13.386 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -6.288 15.960 -13.576 1.00 10.00 H new ATOM 223 N PHE A 16 -6.966 18.688 -6.846 1.00 10.00 N ATOM 224 CA PHE A 16 -8.186 18.730 -6.050 1.00 10.00 C ATOM 225 C PHE A 16 -8.068 19.854 -5.014 1.00 10.00 C ATOM 226 O PHE A 16 -8.927 20.726 -4.937 1.00 10.00 O ATOM 227 CB PHE A 16 -8.467 17.395 -5.319 1.00 10.00 C ATOM 228 CG PHE A 16 -8.640 16.129 -6.147 1.00 10.00 C ATOM 229 CD1 PHE A 16 -7.584 15.614 -6.924 1.00 10.00 C ATOM 230 CD2 PHE A 16 -9.838 15.395 -6.056 1.00 10.00 C ATOM 231 CE1 PHE A 16 -7.749 14.430 -7.664 1.00 10.00 C ATOM 232 CE2 PHE A 16 -9.999 14.198 -6.777 1.00 10.00 C ATOM 233 CZ PHE A 16 -8.961 13.724 -7.596 1.00 10.00 C ATOM 0 H PHE A 16 -6.419 17.841 -6.691 1.00 10.00 H new ATOM 0 HA PHE A 16 -9.017 18.909 -6.732 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -7.649 17.223 -4.620 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -9.371 17.528 -4.725 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -6.638 16.134 -6.952 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -10.640 15.754 -5.428 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -6.944 14.064 -8.284 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -10.922 13.643 -6.701 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.095 12.820 -8.171 1.00 10.00 H new ATOM 243 N ASP A 17 -6.978 19.860 -4.241 1.00 10.00 N ATOM 244 CA ASP A 17 -6.799 20.736 -3.082 1.00 10.00 C ATOM 245 C ASP A 17 -6.792 22.245 -3.389 1.00 10.00 C ATOM 246 O ASP A 17 -7.192 23.047 -2.545 1.00 10.00 O ATOM 247 CB ASP A 17 -5.526 20.322 -2.332 1.00 10.00 C ATOM 248 CG ASP A 17 -5.427 20.972 -0.942 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.229 20.612 -0.047 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.519 21.812 -0.727 1.00 10.00 O ATOM 0 H ASP A 17 -6.182 19.245 -4.407 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.682 20.597 -2.459 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.507 19.237 -2.225 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.653 20.599 -2.923 1.00 10.00 H new ATOM 255 N THR A 18 -6.393 22.644 -4.600 1.00 10.00 N ATOM 256 CA THR A 18 -6.405 24.038 -5.053 1.00 10.00 C ATOM 257 C THR A 18 -7.685 24.427 -5.809 1.00 10.00 C ATOM 258 O THR A 18 -8.155 25.561 -5.699 1.00 10.00 O ATOM 259 CB THR A 18 -5.134 24.340 -5.860 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.884 25.729 -5.882 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.217 23.856 -7.303 1.00 10.00 C ATOM 0 H THR A 18 -6.046 21.995 -5.306 1.00 10.00 H new ATOM 0 HA THR A 18 -6.409 24.667 -4.163 1.00 10.00 H new ATOM 0 HB THR A 18 -4.328 23.803 -5.361 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.070 25.907 -6.398 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.290 24.098 -7.822 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.369 22.777 -7.317 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.052 24.347 -7.804 1.00 10.00 H new ATOM 269 N GLY A 19 -8.311 23.483 -6.525 1.00 10.00 N ATOM 270 CA GLY A 19 -9.580 23.716 -7.228 1.00 10.00 C ATOM 271 C GLY A 19 -10.764 23.765 -6.267 1.00 10.00 C ATOM 272 O GLY A 19 -11.607 24.656 -6.373 1.00 10.00 O ATOM 0 H GLY A 19 -7.951 22.535 -6.633 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.522 24.654 -7.780 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.740 22.925 -7.960 1.00 10.00 H new ATOM 292 N ASP A 21 -10.422 24.746 -3.244 1.00 10.00 N ATOM 293 CA ASP A 21 -10.175 25.986 -2.544 1.00 10.00 C ATOM 294 C ASP A 21 -10.710 27.217 -3.275 1.00 10.00 C ATOM 295 O ASP A 21 -11.080 28.175 -2.610 1.00 10.00 O ATOM 296 CB ASP A 21 -8.699 26.039 -2.177 1.00 10.00 C ATOM 297 CG ASP A 21 -8.237 27.411 -1.656 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.448 27.700 -0.453 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.630 28.185 -2.433 1.00 10.00 O ATOM 0 HA ASP A 21 -10.751 26.009 -1.619 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.496 25.285 -1.416 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.107 25.775 -3.053 1.00 10.00 H new ATOM 304 N ASN A 22 -10.885 27.185 -4.598 1.00 10.00 N ATOM 305 CA ASN A 22 -11.601 28.241 -5.306 1.00 10.00 C ATOM 306 C ASN A 22 -13.105 28.241 -5.003 1.00 10.00 C ATOM 307 O ASN A 22 -13.766 29.279 -5.094 1.00 10.00 O ATOM 308 CB ASN A 22 -11.458 28.052 -6.819 1.00 10.00 C ATOM 309 CG ASN A 22 -10.042 28.223 -7.347 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.269 29.056 -6.892 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.667 27.460 -8.349 1.00 10.00 N ATOM 0 H ASN A 22 -10.539 26.437 -5.199 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.162 29.180 -4.968 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.812 27.055 -7.083 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.109 28.766 -7.324 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.733 27.562 -8.746 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.310 26.765 -8.729 1.00 10.00 H new ATOM 318 N LEU A 23 -13.664 27.077 -4.681 1.00 10.00 N ATOM 319 CA LEU A 23 -15.011 26.955 -4.167 1.00 10.00 C ATOM 320 C LEU A 23 -15.096 27.257 -2.668 1.00 10.00 C ATOM 321 O LEU A 23 -15.925 28.055 -2.251 1.00 10.00 O ATOM 322 CB LEU A 23 -15.616 25.619 -4.609 1.00 10.00 C ATOM 323 CG LEU A 23 -16.987 25.836 -5.282 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.955 26.566 -4.373 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.133 26.561 -6.617 1.00 10.00 C ATOM 0 H LEU A 23 -13.181 26.184 -4.774 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.641 27.729 -4.606 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.940 25.120 -5.303 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.729 24.962 -3.746 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.186 24.785 -5.490 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.907 26.698 -4.886 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.110 25.984 -3.464 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.545 27.542 -4.113 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.185 26.597 -6.898 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.748 27.576 -6.524 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.570 26.028 -7.384 1.00 10.00 H new ATOM 337 N GLN A 24 -14.178 26.708 -1.876 1.00 10.00 N ATOM 338 CA GLN A 24 -14.006 26.937 -0.447 1.00 10.00 C ATOM 339 C GLN A 24 -13.856 28.419 -0.131 1.00 10.00 C ATOM 340 O GLN A 24 -14.525 28.904 0.767 1.00 10.00 O ATOM 341 CB GLN A 24 -12.756 26.200 0.045 1.00 10.00 C ATOM 342 CG GLN A 24 -12.699 25.992 1.552 1.00 10.00 C ATOM 343 CD GLN A 24 -13.680 24.936 2.060 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.607 23.762 1.723 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.629 25.307 2.895 1.00 10.00 N ATOM 0 H GLN A 24 -13.491 26.049 -2.241 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.896 26.562 0.058 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.706 25.228 -0.446 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.874 26.760 -0.266 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.687 25.701 1.832 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.907 26.939 2.050 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.701 26.282 3.184 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.292 24.619 3.252 1.00 10.00 H new ATOM 354 N THR A 25 -13.011 29.152 -0.859 1.00 10.00 N ATOM 355 CA THR A 25 -12.801 30.589 -0.679 1.00 10.00 C ATOM 356 C THR A 25 -14.118 31.334 -0.857 1.00 10.00 C ATOM 357 O THR A 25 -14.543 32.089 0.008 1.00 10.00 O ATOM 358 CB THR A 25 -11.669 31.089 -1.593 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.197 32.339 -1.138 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.992 31.206 -3.075 1.00 10.00 C ATOM 0 H THR A 25 -12.442 28.754 -1.606 1.00 10.00 H new ATOM 0 HA THR A 25 -12.469 30.794 0.339 1.00 10.00 H new ATOM 0 HB THR A 25 -10.915 30.305 -1.522 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.476 32.649 -1.724 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.115 31.568 -3.611 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.277 30.228 -3.464 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.816 31.906 -3.214 1.00 10.00 H new ATOM 368 N GLN A 26 -14.856 30.973 -1.903 1.00 10.00 N ATOM 369 CA GLN A 26 -16.218 31.425 -2.170 1.00 10.00 C ATOM 370 C GLN A 26 -17.218 31.120 -1.040 1.00 10.00 C ATOM 371 O GLN A 26 -17.893 32.038 -0.568 1.00 10.00 O ATOM 372 CB GLN A 26 -16.677 30.825 -3.518 1.00 10.00 C ATOM 373 CG GLN A 26 -16.894 31.870 -4.624 1.00 10.00 C ATOM 374 CD GLN A 26 -15.640 32.666 -4.992 1.00 10.00 C ATOM 375 OE1 GLN A 26 -15.619 33.889 -4.946 1.00 10.00 O ATOM 376 NE2 GLN A 26 -14.557 32.031 -5.390 1.00 10.00 N ATOM 0 H GLN A 26 -14.508 30.332 -2.616 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.202 32.514 -2.224 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.933 30.103 -3.855 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.606 30.277 -3.363 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.265 31.366 -5.516 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -17.671 32.565 -4.304 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.551 31.012 -5.436 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -13.724 32.558 -5.652 1.00 10.00 H new ATOM 385 N VAL A 27 -17.319 29.871 -0.566 1.00 10.00 N ATOM 386 CA VAL A 27 -18.223 29.525 0.540 1.00 10.00 C ATOM 387 C VAL A 27 -17.805 30.210 1.829 1.00 10.00 C ATOM 388 O VAL A 27 -18.639 30.645 2.614 1.00 10.00 O ATOM 389 CB VAL A 27 -18.389 28.017 0.823 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.306 27.151 -0.431 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.474 27.360 1.861 1.00 10.00 C ATOM 0 H VAL A 27 -16.785 29.082 -0.931 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.192 29.885 0.194 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.390 28.042 1.254 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.431 26.103 -0.158 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.093 27.441 -1.126 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.334 27.289 -0.905 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.718 26.301 1.942 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.435 27.471 1.552 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.618 27.841 2.829 1.00 10.00 H new ATOM 401 N THR A 28 -16.501 30.322 2.049 1.00 10.00 N ATOM 402 CA THR A 28 -15.934 30.965 3.218 1.00 10.00 C ATOM 403 C THR A 28 -16.163 32.456 3.184 1.00 10.00 C ATOM 404 O THR A 28 -16.241 33.079 4.227 1.00 10.00 O ATOM 405 CB THR A 28 -14.431 30.768 3.347 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.073 29.404 3.314 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.946 31.313 4.676 1.00 10.00 C ATOM 0 H THR A 28 -15.798 29.960 1.405 1.00 10.00 H new ATOM 0 HA THR A 28 -16.439 30.494 4.062 1.00 10.00 H new ATOM 0 HB THR A 28 -13.977 31.292 2.505 1.00 10.00 H new ATOM 0 HG1 THR A 28 -14.206 29.053 2.409 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.869 31.167 4.758 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.174 32.377 4.738 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.446 30.787 5.489 1.00 10.00 H new ATOM 415 N GLU A 29 -16.276 33.069 2.017 1.00 10.00 N ATOM 416 CA GLU A 29 -16.622 34.467 1.948 1.00 10.00 C ATOM 417 C GLU A 29 -18.132 34.680 2.175 1.00 10.00 C ATOM 418 O GLU A 29 -18.533 35.705 2.713 1.00 10.00 O ATOM 419 CB GLU A 29 -16.102 35.091 0.675 1.00 10.00 C ATOM 420 CG GLU A 29 -14.580 35.273 0.740 1.00 10.00 C ATOM 421 CD GLU A 29 -14.051 36.070 -0.467 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.084 35.558 -1.613 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.601 37.228 -0.281 1.00 10.00 O ATOM 0 H GLU A 29 -16.133 32.618 1.113 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.125 34.993 2.763 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.362 34.462 -0.176 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.582 36.057 0.516 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.314 35.790 1.662 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.097 34.296 0.771 1.00 10.00 H new ATOM 430 N ALA A 30 -18.989 33.711 1.830 1.00 10.00 N ATOM 431 CA ALA A 30 -20.392 33.713 2.242 1.00 10.00 C ATOM 432 C ALA A 30 -20.486 33.553 3.764 1.00 10.00 C ATOM 433 O ALA A 30 -21.267 34.217 4.445 1.00 10.00 O ATOM 434 CB ALA A 30 -21.131 32.575 1.544 1.00 10.00 C ATOM 0 H ALA A 30 -18.727 32.907 1.259 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.852 34.660 1.960 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.177 32.577 1.852 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.070 32.710 0.464 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.675 31.623 1.817 1.00 10.00 H new ATOM 440 N LEU A 31 -19.618 32.708 4.309 1.00 10.00 N ATOM 441 CA LEU A 31 -19.377 32.547 5.723 1.00 10.00 C ATOM 442 C LEU A 31 -18.708 33.766 6.367 1.00 10.00 C ATOM 443 O LEU A 31 -18.969 34.037 7.522 1.00 10.00 O ATOM 444 CB LEU A 31 -18.499 31.319 5.903 1.00 10.00 C ATOM 445 CG LEU A 31 -18.356 30.906 7.363 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.570 30.099 7.803 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.058 30.128 7.466 1.00 10.00 C ATOM 0 H LEU A 31 -19.039 32.090 3.741 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.339 32.434 6.224 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.921 30.490 5.335 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.511 31.520 5.488 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.317 31.765 8.032 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.456 29.810 8.848 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.470 30.704 7.690 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.655 29.204 7.186 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.907 29.807 8.497 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.105 29.253 6.817 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.228 30.763 7.158 1.00 10.00 H new ATOM 459 N ASP A 32 -17.890 34.549 5.668 1.00 10.00 N ATOM 460 CA ASP A 32 -17.355 35.814 6.164 1.00 10.00 C ATOM 461 C ASP A 32 -18.517 36.758 6.505 1.00 10.00 C ATOM 462 O ASP A 32 -18.449 37.519 7.471 1.00 10.00 O ATOM 463 CB ASP A 32 -16.350 36.398 5.150 1.00 10.00 C ATOM 464 CG ASP A 32 -15.925 37.832 5.498 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.098 38.014 6.425 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.396 38.778 4.819 1.00 10.00 O ATOM 0 H ASP A 32 -17.575 34.318 4.726 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.794 35.663 7.086 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.467 35.761 5.111 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.795 36.386 4.155 1.00 10.00 H new ATOM 471 N LYS A 33 -19.639 36.612 5.783 1.00 10.00 N ATOM 472 CA LYS A 33 -20.908 37.240 6.077 1.00 10.00 C ATOM 473 C LYS A 33 -21.636 36.523 7.218 1.00 10.00 C ATOM 474 O LYS A 33 -22.188 37.160 8.112 1.00 10.00 O ATOM 475 CB LYS A 33 -21.787 37.367 4.830 1.00 10.00 C ATOM 476 CG LYS A 33 -21.168 37.536 3.438 1.00 10.00 C ATOM 477 CD LYS A 33 -19.925 38.425 3.343 1.00 10.00 C ATOM 478 CE LYS A 33 -19.558 38.668 1.882 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.319 39.484 1.779 1.00 10.00 N ATOM 0 H LYS A 33 -19.674 36.027 4.948 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.695 38.254 6.415 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.417 36.478 4.793 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.447 38.219 4.991 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.910 36.548 3.058 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -21.930 37.944 2.774 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.111 39.376 3.841 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.091 37.952 3.861 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.414 37.714 1.375 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.378 39.178 1.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.087 39.638 0.777 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.468 40.402 2.245 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.534 38.984 2.243 1.00 10.00 H new ATOM 493 N LEU A 34 -21.671 35.188 7.203 1.00 10.00 N ATOM 494 CA LEU A 34 -22.413 34.382 8.184 1.00 10.00 C ATOM 495 C LEU A 34 -21.735 34.397 9.566 1.00 10.00 C ATOM 496 O LEU A 34 -22.332 34.098 10.584 1.00 10.00 O ATOM 497 CB LEU A 34 -22.658 32.977 7.630 1.00 10.00 C ATOM 498 CG LEU A 34 -24.102 32.467 7.811 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.295 31.278 6.926 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.588 31.947 9.146 1.00 10.00 C ATOM 0 H LEU A 34 -21.182 34.628 6.505 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.392 34.832 8.348 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.413 32.970 6.568 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.976 32.282 8.119 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.654 33.386 7.614 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.312 30.901 7.039 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.128 31.566 5.888 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.586 30.498 7.204 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.630 31.639 9.059 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.981 31.093 9.447 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.504 32.734 9.895 1.00 10.00 H new ATOM 512 N ALA A 35 -20.460 34.740 9.612 1.00 10.00 N ATOM 513 CA ALA A 35 -19.702 35.029 10.807 1.00 10.00 C ATOM 514 C ALA A 35 -19.958 36.500 11.275 1.00 10.00 C ATOM 515 O ALA A 35 -19.794 36.810 12.456 1.00 10.00 O ATOM 516 CB ALA A 35 -18.242 34.669 10.485 1.00 10.00 C ATOM 0 H ALA A 35 -19.898 34.828 8.766 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.007 34.437 11.670 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.618 34.868 11.356 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.177 33.613 10.225 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.895 35.271 9.645 1.00 10.00 H new ATOM 522 N ALA A 36 -20.378 37.400 10.361 1.00 10.00 N ATOM 523 CA ALA A 36 -20.721 38.819 10.585 1.00 10.00 C ATOM 524 C ALA A 36 -22.136 39.097 11.153 1.00 10.00 C ATOM 525 O ALA A 36 -22.276 39.813 12.149 1.00 10.00 O ATOM 526 CB ALA A 36 -20.500 39.605 9.273 1.00 10.00 C ATOM 0 H ALA A 36 -20.494 37.137 9.382 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.051 39.159 11.375 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.751 40.654 9.431 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.456 39.523 8.971 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.137 39.193 8.490 1.00 10.00 H new ATOM 532 N LYS A 37 -23.179 38.536 10.527 1.00 10.00 N ATOM 533 CA LYS A 37 -24.624 38.730 10.832 1.00 10.00 C ATOM 534 C LYS A 37 -25.383 37.393 10.675 1.00 10.00 C ATOM 535 O LYS A 37 -26.437 37.331 10.042 1.00 10.00 O ATOM 536 CB LYS A 37 -25.147 39.737 9.807 1.00 10.00 C ATOM 537 CG LYS A 37 -26.445 40.444 10.186 1.00 10.00 C ATOM 538 CD LYS A 37 -26.976 41.141 8.931 1.00 10.00 C ATOM 539 CE LYS A 37 -28.288 41.835 9.287 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.009 42.313 8.081 1.00 10.00 N ATOM 0 H LYS A 37 -23.041 37.895 9.746 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.767 39.082 11.854 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.378 40.491 9.639 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.298 39.220 8.860 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.175 39.728 10.564 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.268 41.169 10.981 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.250 41.867 8.564 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.134 40.416 8.132 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -28.925 41.145 9.840 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.085 42.679 9.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -29.822 42.894 8.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.366 42.884 7.496 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.345 41.497 7.531 1.00 10.00 H new ATOM 554 N PRO A 38 -24.870 36.305 11.254 1.00 10.00 N ATOM 555 CA PRO A 38 -25.260 34.940 10.978 1.00 10.00 C ATOM 556 C PRO A 38 -26.544 34.552 10.260 1.00 10.00 C ATOM 557 O PRO A 38 -26.527 34.400 9.042 1.00 10.00 O ATOM 558 CB PRO A 38 -24.861 34.074 12.167 1.00 10.00 C ATOM 559 CG PRO A 38 -24.026 34.989 13.069 1.00 10.00 C ATOM 560 CD PRO A 38 -23.887 36.315 12.321 1.00 10.00 C ATOM 0 HA PRO A 38 -24.693 34.721 10.073 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.739 33.698 12.692 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.285 33.206 11.846 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.513 35.135 14.033 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.048 34.551 13.269 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.056 37.156 12.993 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -22.881 36.426 11.917 1.00 10.00 H new ATOM 568 N SER A 39 -27.648 34.329 10.962 1.00 10.00 N ATOM 569 CA SER A 39 -28.835 33.746 10.359 1.00 10.00 C ATOM 570 C SER A 39 -29.627 34.719 9.479 1.00 10.00 C ATOM 571 O SER A 39 -30.750 34.397 9.092 1.00 10.00 O ATOM 572 CB SER A 39 -29.654 32.979 11.390 1.00 10.00 C ATOM 573 OG SER A 39 -30.139 33.819 12.429 1.00 10.00 O ATOM 0 H SER A 39 -27.744 34.545 11.954 1.00 10.00 H new ATOM 0 HA SER A 39 -28.503 33.001 9.636 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.496 32.495 10.895 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.041 32.188 11.822 1.00 10.00 H new ATOM 0 HG SER A 39 -30.659 33.285 13.065 1.00 10.00 H new ATOM 579 N ASP A 40 -29.064 35.905 9.183 1.00 10.00 N ATOM 580 CA ASP A 40 -29.552 36.835 8.157 1.00 10.00 C ATOM 581 C ASP A 40 -29.756 35.995 6.890 1.00 10.00 C ATOM 582 O ASP A 40 -28.784 35.543 6.290 1.00 10.00 O ATOM 583 CB ASP A 40 -28.578 38.000 7.929 1.00 10.00 C ATOM 584 CG ASP A 40 -29.014 38.860 6.730 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.661 38.532 5.575 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.716 39.874 6.954 1.00 10.00 O ATOM 0 H ASP A 40 -28.234 36.249 9.666 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.485 37.307 8.465 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.529 38.618 8.825 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.575 37.611 7.756 1.00 10.00 H new ATOM 591 N PRO A 41 -30.994 35.715 6.470 1.00 10.00 N ATOM 592 CA PRO A 41 -31.208 34.712 5.442 1.00 10.00 C ATOM 593 C PRO A 41 -30.696 35.097 4.063 1.00 10.00 C ATOM 594 O PRO A 41 -30.381 34.213 3.275 1.00 10.00 O ATOM 595 CB PRO A 41 -32.711 34.480 5.441 1.00 10.00 C ATOM 596 CG PRO A 41 -33.285 35.809 5.939 1.00 10.00 C ATOM 597 CD PRO A 41 -32.244 36.283 6.942 1.00 10.00 C ATOM 0 HA PRO A 41 -30.635 33.813 5.669 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.077 34.234 4.444 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -32.989 33.654 6.095 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.414 36.522 5.125 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.262 35.677 6.404 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.196 37.371 6.979 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.480 35.940 7.950 1.00 10.00 H new ATOM 605 N ALA A 42 -30.573 36.383 3.756 1.00 10.00 N ATOM 606 CA ALA A 42 -30.030 36.827 2.491 1.00 10.00 C ATOM 607 C ALA A 42 -28.543 36.431 2.326 1.00 10.00 C ATOM 608 O ALA A 42 -28.160 35.938 1.262 1.00 10.00 O ATOM 609 CB ALA A 42 -30.312 38.325 2.393 1.00 10.00 C ATOM 0 H ALA A 42 -30.848 37.141 4.380 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.509 36.327 1.649 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.919 38.708 1.451 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.388 38.496 2.434 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.830 38.841 3.224 1.00 10.00 H new ATOM 615 N LEU A 43 -27.720 36.560 3.378 1.00 10.00 N ATOM 616 CA LEU A 43 -26.349 36.038 3.414 1.00 10.00 C ATOM 617 C LEU A 43 -26.252 34.530 3.736 1.00 10.00 C ATOM 618 O LEU A 43 -25.491 33.820 3.078 1.00 10.00 O ATOM 619 CB LEU A 43 -25.500 36.943 4.327 1.00 10.00 C ATOM 620 CG LEU A 43 -25.675 36.740 5.829 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.790 35.640 6.347 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.159 37.897 6.666 1.00 10.00 C ATOM 0 H LEU A 43 -27.993 37.036 4.238 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.934 36.081 2.407 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.449 36.789 4.081 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.733 37.982 4.092 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.748 36.572 5.920 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.943 35.525 7.420 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.038 34.706 5.843 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.747 35.891 6.154 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.318 37.681 7.723 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.094 38.034 6.480 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.695 38.808 6.398 1.00 10.00 H new ATOM 634 N LEU A 44 -27.002 34.009 4.718 1.00 10.00 N ATOM 635 CA LEU A 44 -26.972 32.586 5.107 1.00 10.00 C ATOM 636 C LEU A 44 -27.465 31.725 3.949 1.00 10.00 C ATOM 637 O LEU A 44 -26.930 30.641 3.734 1.00 10.00 O ATOM 638 CB LEU A 44 -27.720 32.381 6.453 1.00 10.00 C ATOM 639 CG LEU A 44 -28.619 31.159 6.731 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.715 30.834 5.714 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.816 29.888 6.889 1.00 10.00 C ATOM 0 H LEU A 44 -27.653 34.566 5.271 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.952 32.255 5.301 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.961 32.392 7.235 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.342 33.264 6.600 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.112 31.482 7.648 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.265 29.952 6.041 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.399 31.679 5.634 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.263 30.640 4.741 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.490 29.054 7.083 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.255 29.696 5.974 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.123 29.997 7.723 1.00 10.00 H new ATOM 653 N ALA A 45 -28.430 32.182 3.148 1.00 10.00 N ATOM 654 CA ALA A 45 -28.877 31.367 2.040 1.00 10.00 C ATOM 655 C ALA A 45 -27.886 31.400 0.865 1.00 10.00 C ATOM 656 O ALA A 45 -27.782 30.423 0.124 1.00 10.00 O ATOM 657 CB ALA A 45 -30.310 31.703 1.618 1.00 10.00 C ATOM 0 H ALA A 45 -28.898 33.083 3.247 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.900 30.335 2.391 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.602 31.066 0.783 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.985 31.534 2.457 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.364 32.748 1.313 1.00 10.00 H new ATOM 663 N ALA A 46 -27.109 32.477 0.714 1.00 10.00 N ATOM 664 CA ALA A 46 -25.989 32.521 -0.210 1.00 10.00 C ATOM 665 C ALA A 46 -24.855 31.587 0.248 1.00 10.00 C ATOM 666 O ALA A 46 -24.251 30.893 -0.567 1.00 10.00 O ATOM 667 CB ALA A 46 -25.495 33.960 -0.349 1.00 10.00 C ATOM 0 H ALA A 46 -27.246 33.343 1.235 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.324 32.168 -1.186 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.655 33.991 -1.043 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.302 34.587 -0.729 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.175 34.331 0.625 1.00 10.00 H new ATOM 673 N TYR A 47 -24.614 31.488 1.559 1.00 10.00 N ATOM 674 CA TYR A 47 -23.710 30.512 2.150 1.00 10.00 C ATOM 675 C TYR A 47 -24.140 29.104 1.847 1.00 10.00 C ATOM 676 O TYR A 47 -23.364 28.338 1.287 1.00 10.00 O ATOM 677 CB TYR A 47 -23.658 30.686 3.658 1.00 10.00 C ATOM 678 CG TYR A 47 -22.812 29.638 4.372 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.428 29.546 4.139 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.444 28.660 5.168 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.681 28.483 4.682 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.697 27.616 5.744 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.313 27.515 5.492 1.00 10.00 C ATOM 684 OH TYR A 47 -20.604 26.478 6.018 1.00 10.00 O ATOM 0 H TYR A 47 -25.053 32.099 2.248 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.725 30.683 1.715 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.262 31.675 3.886 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.673 30.650 4.053 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.934 30.296 3.539 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.509 28.713 5.337 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.623 28.408 4.478 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.184 26.891 6.380 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.200 25.911 6.550 1.00 10.00 H new ATOM 694 N GLN A 48 -25.388 28.785 2.180 1.00 10.00 N ATOM 695 CA GLN A 48 -25.900 27.439 2.000 1.00 10.00 C ATOM 696 C GLN A 48 -25.979 27.063 0.503 1.00 10.00 C ATOM 697 O GLN A 48 -25.873 25.898 0.122 1.00 10.00 O ATOM 698 CB GLN A 48 -27.155 27.220 2.842 1.00 10.00 C ATOM 699 CG GLN A 48 -28.422 27.804 2.258 1.00 10.00 C ATOM 700 CD GLN A 48 -29.205 26.879 1.328 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.524 25.739 1.642 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.556 27.341 0.145 1.00 10.00 N ATOM 0 H GLN A 48 -26.059 29.443 2.575 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.196 26.707 2.397 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.298 26.149 2.984 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.993 27.654 3.829 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -29.075 28.103 3.078 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.164 28.710 1.709 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -29.297 28.289 -0.130 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -30.087 26.751 -0.496 1.00 10.00 H new ATOM 711 N SER A 49 -26.071 28.079 -0.360 1.00 10.00 N ATOM 712 CA SER A 49 -25.930 27.952 -1.810 1.00 10.00 C ATOM 713 C SER A 49 -24.508 27.549 -2.196 1.00 10.00 C ATOM 714 O SER A 49 -24.298 26.573 -2.911 1.00 10.00 O ATOM 715 CB SER A 49 -26.251 29.280 -2.536 1.00 10.00 C ATOM 716 OG SER A 49 -26.499 29.038 -3.911 1.00 10.00 O ATOM 0 H SER A 49 -26.250 29.037 -0.060 1.00 10.00 H new ATOM 0 HA SER A 49 -26.639 27.182 -2.115 1.00 10.00 H new ATOM 0 HB2 SER A 49 -27.121 29.752 -2.079 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.418 29.974 -2.426 1.00 10.00 H new ATOM 0 HG SER A 49 -26.703 29.885 -4.361 1.00 10.00 H new ATOM 722 N LYS A 50 -23.508 28.270 -1.683 1.00 10.00 N ATOM 723 CA LYS A 50 -22.089 28.054 -1.966 1.00 10.00 C ATOM 724 C LYS A 50 -21.568 26.739 -1.393 1.00 10.00 C ATOM 725 O LYS A 50 -20.803 26.053 -2.052 1.00 10.00 O ATOM 726 CB LYS A 50 -21.307 29.289 -1.489 1.00 10.00 C ATOM 727 CG LYS A 50 -21.688 30.510 -2.346 1.00 10.00 C ATOM 728 CD LYS A 50 -20.558 30.939 -3.266 1.00 10.00 C ATOM 729 CE LYS A 50 -20.221 29.893 -4.334 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.669 30.326 -5.689 1.00 10.00 N ATOM 0 H LYS A 50 -23.670 29.044 -1.039 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.942 27.945 -3.041 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.526 29.487 -0.440 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.235 29.103 -1.561 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.569 30.273 -2.942 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.958 31.340 -1.693 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.831 31.874 -3.755 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.668 31.140 -2.669 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.145 29.717 -4.345 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.696 28.946 -4.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.409 29.601 -6.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.701 30.453 -5.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -20.209 31.226 -5.936 1.00 10.00 H new ATOM 744 N LEU A 51 -22.054 26.353 -0.224 1.00 10.00 N ATOM 745 CA LEU A 51 -21.919 25.061 0.449 1.00 10.00 C ATOM 746 C LEU A 51 -22.386 23.931 -0.480 1.00 10.00 C ATOM 747 O LEU A 51 -21.739 22.888 -0.570 1.00 10.00 O ATOM 748 CB LEU A 51 -22.736 25.260 1.747 1.00 10.00 C ATOM 749 CG LEU A 51 -23.379 24.124 2.567 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.170 24.791 3.707 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.394 23.264 1.807 1.00 10.00 C ATOM 0 H LEU A 51 -22.610 26.999 0.337 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.902 24.758 0.697 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.080 25.793 2.436 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.548 25.940 1.489 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.564 23.470 2.876 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.645 24.023 4.318 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.491 25.378 4.326 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.934 25.444 3.286 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.788 22.494 2.471 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.212 23.893 1.454 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.905 22.792 0.955 1.00 10.00 H new ATOM 763 N SER A 52 -23.455 24.162 -1.244 1.00 10.00 N ATOM 764 CA SER A 52 -23.903 23.256 -2.292 1.00 10.00 C ATOM 765 C SER A 52 -23.044 23.330 -3.553 1.00 10.00 C ATOM 766 O SER A 52 -22.675 22.293 -4.093 1.00 10.00 O ATOM 767 CB SER A 52 -25.358 23.502 -2.672 1.00 10.00 C ATOM 768 OG SER A 52 -26.227 23.464 -1.549 1.00 10.00 O ATOM 0 H SER A 52 -24.037 24.994 -1.148 1.00 10.00 H new ATOM 0 HA SER A 52 -23.801 22.258 -1.866 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.443 24.472 -3.161 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.673 22.751 -3.397 1.00 10.00 H new ATOM 0 HG SER A 52 -26.098 24.271 -1.008 1.00 10.00 H new ATOM 774 N GLU A 53 -22.656 24.526 -4.008 1.00 10.00 N ATOM 775 CA GLU A 53 -21.761 24.696 -5.149 1.00 10.00 C ATOM 776 C GLU A 53 -20.402 24.023 -4.933 1.00 10.00 C ATOM 777 O GLU A 53 -19.778 23.539 -5.870 1.00 10.00 O ATOM 778 CB GLU A 53 -21.438 26.142 -5.464 1.00 10.00 C ATOM 779 CG GLU A 53 -22.438 27.127 -6.028 1.00 10.00 C ATOM 780 CD GLU A 53 -23.141 26.628 -7.305 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.467 26.485 -8.353 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.375 26.403 -7.276 1.00 10.00 O ATOM 0 H GLU A 53 -22.958 25.406 -3.590 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.319 24.240 -5.967 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.068 26.580 -4.537 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.602 26.122 -6.163 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.191 27.343 -5.270 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.928 28.065 -6.247 1.00 10.00 H new ATOM 789 N TYR A 54 -19.911 24.019 -3.700 1.00 10.00 N ATOM 790 CA TYR A 54 -18.671 23.365 -3.326 1.00 10.00 C ATOM 791 C TYR A 54 -18.835 21.848 -3.382 1.00 10.00 C ATOM 792 O TYR A 54 -17.939 21.161 -3.870 1.00 10.00 O ATOM 793 CB TYR A 54 -18.159 23.921 -1.994 1.00 10.00 C ATOM 794 CG TYR A 54 -17.564 22.924 -1.051 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.193 22.640 -1.132 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.371 22.305 -0.087 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.622 21.738 -0.227 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.808 21.388 0.808 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.424 21.106 0.753 1.00 10.00 C ATOM 800 OH TYR A 54 -15.872 20.236 1.642 1.00 10.00 O ATOM 0 H TYR A 54 -20.376 24.481 -2.919 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.885 23.590 -4.047 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.409 24.683 -2.206 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.987 24.420 -1.489 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.583 23.114 -1.887 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.425 22.535 -0.035 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.565 21.523 -0.277 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.431 20.896 1.540 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.568 19.897 2.243 1.00 10.00 H new ATOM 843 N TYR A 57 -18.679 21.328 -7.121 1.00 10.00 N ATOM 844 CA TYR A 57 -17.257 21.268 -7.417 1.00 10.00 C ATOM 845 C TYR A 57 -16.776 19.834 -7.120 1.00 10.00 C ATOM 846 O TYR A 57 -16.066 19.229 -7.915 1.00 10.00 O ATOM 847 CB TYR A 57 -16.454 22.366 -6.695 1.00 10.00 C ATOM 848 CG TYR A 57 -14.995 21.974 -6.645 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.596 21.062 -5.655 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.134 22.279 -7.717 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.376 20.378 -5.772 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.879 21.645 -7.804 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.505 20.684 -6.839 1.00 10.00 C ATOM 854 OH TYR A 57 -11.301 20.065 -6.934 1.00 10.00 O ATOM 0 HA TYR A 57 -17.081 21.483 -8.471 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.568 23.317 -7.216 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.838 22.508 -5.685 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -15.231 20.886 -4.799 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.434 22.995 -8.468 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -13.106 19.622 -5.050 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.203 21.894 -8.609 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.714 20.379 -6.215 1.00 10.00 H new ATOM 864 N ARG A 58 -17.247 19.261 -6.005 1.00 10.00 N ATOM 865 CA ARG A 58 -17.010 17.889 -5.551 1.00 10.00 C ATOM 866 C ARG A 58 -17.700 16.823 -6.404 1.00 10.00 C ATOM 867 O ARG A 58 -17.152 15.744 -6.575 1.00 10.00 O ATOM 868 CB ARG A 58 -17.509 17.782 -4.091 1.00 10.00 C ATOM 869 CG ARG A 58 -16.527 17.189 -3.086 1.00 10.00 C ATOM 870 CD ARG A 58 -15.393 18.182 -2.791 1.00 10.00 C ATOM 871 NE ARG A 58 -14.244 17.525 -2.138 1.00 10.00 N ATOM 872 CZ ARG A 58 -14.079 17.287 -0.849 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.960 17.635 0.044 1.00 10.00 N ATOM 874 NH2 ARG A 58 -13.007 16.680 -0.427 1.00 10.00 N ATOM 0 H ARG A 58 -17.841 19.778 -5.357 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.941 17.694 -5.638 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.788 18.779 -3.750 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.416 17.177 -4.082 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -17.049 16.940 -2.162 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -16.112 16.261 -3.478 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -15.066 18.646 -3.721 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.767 18.981 -2.150 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.490 17.219 -2.753 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -15.816 18.110 -0.242 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -14.794 17.433 1.030 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -12.292 16.387 -1.092 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.883 16.498 0.569 1.00 10.00 H new ATOM 888 N ASN A 59 -18.883 17.112 -6.947 1.00 10.00 N ATOM 889 CA ASN A 59 -19.635 16.228 -7.838 1.00 10.00 C ATOM 890 C ASN A 59 -18.865 16.025 -9.151 1.00 10.00 C ATOM 891 O ASN A 59 -18.647 14.909 -9.623 1.00 10.00 O ATOM 892 CB ASN A 59 -21.039 16.815 -8.101 1.00 10.00 C ATOM 893 CG ASN A 59 -21.957 15.815 -8.793 1.00 10.00 C ATOM 894 OD1 ASN A 59 -22.009 14.639 -8.458 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.706 16.239 -9.786 1.00 10.00 N ATOM 0 H ASN A 59 -19.360 17.997 -6.773 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.756 15.255 -7.362 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.486 17.123 -7.156 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.948 17.710 -8.717 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.325 15.590 -10.271 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.669 17.218 -10.071 1.00 10.00 H new ATOM 902 N ALA A 60 -18.377 17.136 -9.694 1.00 10.00 N ATOM 903 CA ALA A 60 -17.450 17.210 -10.802 1.00 10.00 C ATOM 904 C ALA A 60 -16.111 16.561 -10.465 1.00 10.00 C ATOM 905 O ALA A 60 -15.663 15.669 -11.184 1.00 10.00 O ATOM 906 CB ALA A 60 -17.338 18.704 -11.140 1.00 10.00 C ATOM 0 H ALA A 60 -18.638 18.059 -9.347 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.800 16.649 -11.669 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.649 18.838 -11.974 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.320 19.089 -11.415 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.965 19.247 -10.271 1.00 10.00 H new ATOM 912 N GLN A 61 -15.557 16.874 -9.296 1.00 10.00 N ATOM 913 CA GLN A 61 -14.373 16.252 -8.713 1.00 10.00 C ATOM 914 C GLN A 61 -14.665 14.956 -7.939 1.00 10.00 C ATOM 915 O GLN A 61 -14.132 14.653 -6.871 1.00 10.00 O ATOM 916 CB GLN A 61 -13.560 17.281 -7.965 1.00 10.00 C ATOM 917 CG GLN A 61 -12.070 16.891 -7.924 1.00 10.00 C ATOM 918 CD GLN A 61 -11.257 17.241 -9.173 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.652 17.998 -10.051 1.00 10.00 O ATOM 920 NE2 GLN A 61 -10.076 16.674 -9.314 1.00 10.00 N ATOM 0 H GLN A 61 -15.943 17.606 -8.700 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.744 15.892 -9.527 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.671 18.254 -8.444 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.941 17.380 -6.949 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.609 17.379 -7.065 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.999 15.816 -7.756 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -9.726 16.040 -8.596 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.512 16.869 -10.141 1.00 10.00 H new ATOM 929 N SER A 62 -15.554 14.207 -8.571 1.00 10.00 N ATOM 930 CA SER A 62 -15.958 12.829 -8.343 1.00 10.00 C ATOM 931 C SER A 62 -16.146 12.166 -9.712 1.00 10.00 C ATOM 932 O SER A 62 -15.609 11.094 -9.962 1.00 10.00 O ATOM 933 CB SER A 62 -17.200 12.736 -7.463 1.00 10.00 C ATOM 934 OG SER A 62 -17.546 11.379 -7.222 1.00 10.00 O ATOM 0 H SER A 62 -16.074 14.602 -9.355 1.00 10.00 H new ATOM 0 HA SER A 62 -15.185 12.297 -7.789 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.019 13.244 -6.516 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.032 13.248 -7.945 1.00 10.00 H new ATOM 0 HG SER A 62 -18.143 11.326 -6.447 1.00 10.00 H new ATOM 940 N ASN A 63 -16.745 12.878 -10.670 1.00 10.00 N ATOM 941 CA ASN A 63 -16.926 12.461 -12.057 1.00 10.00 C ATOM 942 C ASN A 63 -15.610 12.146 -12.776 1.00 10.00 C ATOM 943 O ASN A 63 -15.413 11.080 -13.343 1.00 10.00 O ATOM 944 CB ASN A 63 -17.692 13.589 -12.774 1.00 10.00 C ATOM 945 CG ASN A 63 -18.366 13.098 -14.043 1.00 10.00 C ATOM 946 OD1 ASN A 63 -17.801 13.134 -15.127 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.581 12.610 -13.949 1.00 10.00 N ATOM 0 H ASN A 63 -17.134 13.803 -10.488 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.485 11.526 -12.075 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.443 14.003 -12.101 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.003 14.397 -13.018 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.056 12.260 -14.781 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.050 12.581 -13.044 1.00 10.00 H new ATOM 954 N THR A 64 -14.683 13.084 -12.678 1.00 10.00 N ATOM 955 CA THR A 64 -13.306 13.034 -13.195 1.00 10.00 C ATOM 956 C THR A 64 -12.424 11.950 -12.596 1.00 10.00 C ATOM 957 O THR A 64 -11.658 11.252 -13.250 1.00 10.00 O ATOM 958 CB THR A 64 -12.699 14.405 -12.951 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.410 14.558 -13.488 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.688 14.771 -11.471 1.00 10.00 C ATOM 0 H THR A 64 -14.876 13.966 -12.204 1.00 10.00 H new ATOM 0 HA THR A 64 -13.357 12.773 -14.252 1.00 10.00 H new ATOM 0 HB THR A 64 -13.353 15.095 -13.484 1.00 10.00 H new ATOM 0 HG1 THR A 64 -10.813 13.884 -13.102 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.245 15.759 -11.344 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.709 14.779 -11.091 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.101 14.037 -10.919 1.00 10.00 H new ATOM 968 N VAL A 65 -12.614 11.747 -11.313 1.00 10.00 N ATOM 969 CA VAL A 65 -12.023 10.715 -10.484 1.00 10.00 C ATOM 970 C VAL A 65 -12.466 9.333 -10.987 1.00 10.00 C ATOM 971 O VAL A 65 -11.650 8.448 -11.235 1.00 10.00 O ATOM 972 CB VAL A 65 -12.498 10.971 -9.049 1.00 10.00 C ATOM 973 CG1 VAL A 65 -11.547 10.330 -8.047 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.667 12.465 -8.711 1.00 10.00 C ATOM 0 H VAL A 65 -13.238 12.348 -10.775 1.00 10.00 H new ATOM 0 HA VAL A 65 -10.934 10.738 -10.524 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.485 10.514 -8.979 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -11.901 10.523 -7.034 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.508 9.254 -8.219 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.550 10.753 -8.169 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.005 12.569 -7.680 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.712 12.976 -8.833 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.404 12.908 -9.381 1.00 10.00 H new ATOM 984 N LYS A 66 -13.772 9.220 -11.260 1.00 10.00 N ATOM 985 CA LYS A 66 -14.489 8.134 -11.938 1.00 10.00 C ATOM 986 C LYS A 66 -14.205 8.043 -13.458 1.00 10.00 C ATOM 987 O LYS A 66 -14.747 7.171 -14.135 1.00 10.00 O ATOM 988 CB LYS A 66 -15.989 8.320 -11.640 1.00 10.00 C ATOM 989 CG LYS A 66 -16.356 7.933 -10.198 1.00 10.00 C ATOM 990 CD LYS A 66 -17.690 8.576 -9.791 1.00 10.00 C ATOM 991 CE LYS A 66 -18.075 8.148 -8.370 1.00 10.00 C ATOM 992 NZ LYS A 66 -19.152 9.007 -7.817 1.00 10.00 N ATOM 0 H LYS A 66 -14.416 9.961 -10.984 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.130 7.180 -11.551 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.264 9.360 -11.815 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.572 7.715 -12.335 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -16.427 6.849 -10.113 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.568 8.255 -9.517 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -17.609 9.662 -9.842 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -18.472 8.282 -10.491 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -18.405 7.109 -8.378 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -17.199 8.199 -7.723 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -19.494 8.602 -6.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -18.780 9.963 -7.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -19.938 9.059 -8.496 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.290 8.864 -13.984 1.00 10.00 N ATOM 1007 CA VAL A 67 -12.801 8.923 -15.368 1.00 10.00 C ATOM 1008 C VAL A 67 -11.331 8.541 -15.439 1.00 10.00 C ATOM 1009 O VAL A 67 -10.918 7.792 -16.318 1.00 10.00 O ATOM 1010 CB VAL A 67 -13.132 10.304 -15.924 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -12.318 10.748 -17.117 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -14.613 10.309 -16.230 1.00 10.00 C ATOM 0 H VAL A 67 -12.832 9.566 -13.403 1.00 10.00 H new ATOM 0 HA VAL A 67 -13.299 8.189 -16.002 1.00 10.00 H new ATOM 0 HB VAL A 67 -12.862 11.039 -15.166 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -12.639 11.743 -17.427 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -11.262 10.775 -16.847 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -12.465 10.047 -17.939 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -14.898 11.281 -16.632 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -14.836 9.534 -16.963 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -15.174 10.116 -15.316 1.00 10.00 H new ATOM 1022 N PHE A 68 -10.559 8.906 -14.422 1.00 10.00 N ATOM 1023 CA PHE A 68 -9.219 8.388 -14.177 1.00 10.00 C ATOM 1024 C PHE A 68 -9.328 6.981 -13.512 1.00 10.00 C ATOM 1025 O PHE A 68 -8.378 6.440 -12.944 1.00 10.00 O ATOM 1026 CB PHE A 68 -8.466 9.391 -13.312 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.330 10.793 -13.888 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -7.884 10.993 -15.210 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -8.667 11.907 -13.095 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.808 12.295 -15.742 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.595 13.205 -13.627 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.171 13.400 -14.953 1.00 10.00 C ATOM 0 H PHE A 68 -10.857 9.590 -13.726 1.00 10.00 H new ATOM 0 HA PHE A 68 -8.662 8.262 -15.106 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -8.971 9.462 -12.349 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.467 8.999 -13.120 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.600 10.146 -15.817 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -8.983 11.762 -12.072 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.471 12.444 -16.757 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -8.866 14.054 -13.017 1.00 10.00 H new ATOM 0 HZ PHE A 68 -8.124 14.397 -15.365 1.00 10.00 H new