USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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+ -172:sc= -0.103 (180deg=-0.159) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -7.77! C(o=-7.8!,f=-8.8!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= -0.12 (180deg=-0.62) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 24 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2!) USER MOD Single : A 26 ASN : amide:sc= -0.832 K(o=-0.83,f=-5.1!) USER MOD Single : A 27 MET CE :methyl -163:sc= -0.625 (180deg=-0.961) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0212 (180deg=-0.257) USER MOD Single : A 36 SER OG : rot 25:sc= 0.035 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -0.385 (180deg=-2.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 48 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.302 0.892 -0.887 1.00 0.00 N ATOM 2 CA GLY A 1 22.587 1.299 0.354 1.00 0.00 C ATOM 3 C GLY A 1 21.490 2.311 0.087 1.00 0.00 C ATOM 4 O GLY A 1 20.587 2.487 0.905 1.00 0.00 O ATOM 0 H1 GLY A 1 23.946 0.104 -0.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.611 0.590 -1.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.849 1.697 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.156 0.417 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.302 1.721 1.060 1.00 0.00 H new ATOM 10 N ARG A 2 21.569 2.977 -1.061 1.00 0.00 N ATOM 11 CA ARG A 2 20.575 3.977 -1.435 1.00 0.00 C ATOM 12 C ARG A 2 19.924 3.620 -2.768 1.00 0.00 C ATOM 13 O ARG A 2 20.257 4.192 -3.808 1.00 0.00 O ATOM 14 CB ARG A 2 21.224 5.360 -1.521 1.00 0.00 C ATOM 15 CG ARG A 2 20.230 6.489 -1.742 1.00 0.00 C ATOM 16 CD ARG A 2 20.932 7.831 -1.860 1.00 0.00 C ATOM 17 NE ARG A 2 21.762 8.117 -0.692 1.00 0.00 N ATOM 18 CZ ARG A 2 22.539 9.190 -0.585 1.00 0.00 C ATOM 19 NH1 ARG A 2 22.592 10.076 -1.570 1.00 0.00 N ATOM 20 NH2 ARG A 2 23.265 9.378 0.509 1.00 0.00 N ATOM 0 H ARG A 2 22.311 2.842 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 2 19.801 3.995 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.777 5.550 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.949 5.361 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 2 19.655 6.297 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 2 19.521 6.519 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 2 21.552 7.839 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 2 20.189 8.620 -1.979 1.00 0.00 H new ATOM 0 HE ARG A 2 21.744 7.456 0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.035 9.935 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.189 10.898 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 2 23.227 8.699 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 2 23.861 10.202 0.590 1.00 0.00 H new ATOM 34 N ARG A 3 18.996 2.669 -2.729 1.00 0.00 N ATOM 35 CA ARG A 3 18.297 2.231 -3.932 1.00 0.00 C ATOM 36 C ARG A 3 17.229 3.241 -4.340 1.00 0.00 C ATOM 37 O ARG A 3 16.897 4.151 -3.578 1.00 0.00 O ATOM 38 CB ARG A 3 17.658 0.861 -3.700 1.00 0.00 C ATOM 39 CG ARG A 3 16.682 0.835 -2.537 1.00 0.00 C ATOM 40 CD ARG A 3 16.097 -0.551 -2.331 1.00 0.00 C ATOM 41 NE ARG A 3 17.134 -1.548 -2.075 1.00 0.00 N ATOM 42 CZ ARG A 3 16.889 -2.763 -1.593 1.00 0.00 C ATOM 43 NH1 ARG A 3 15.646 -3.130 -1.308 1.00 0.00 N ATOM 44 NH2 ARG A 3 17.888 -3.612 -1.395 1.00 0.00 N ATOM 0 H ARG A 3 18.711 2.187 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 3 19.025 2.155 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 3 17.138 0.554 -4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 3 18.445 0.128 -3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 3 17.190 1.155 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 3 15.877 1.547 -2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.399 -0.530 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 3 15.527 -0.839 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 3 18.102 -1.298 -2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.875 -2.479 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.462 -4.063 -0.938 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.845 -3.333 -1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 3 17.700 -4.544 -1.025 1.00 0.00 H new ATOM 58 N ARG A 4 16.695 3.073 -5.544 1.00 0.00 N ATOM 59 CA ARG A 4 15.663 3.968 -6.057 1.00 0.00 C ATOM 60 C ARG A 4 14.295 3.295 -6.024 1.00 0.00 C ATOM 61 O ARG A 4 14.147 2.151 -6.454 1.00 0.00 O ATOM 62 CB ARG A 4 15.998 4.399 -7.486 1.00 0.00 C ATOM 63 CG ARG A 4 15.026 5.416 -8.061 1.00 0.00 C ATOM 64 CD ARG A 4 15.332 5.715 -9.519 1.00 0.00 C ATOM 65 NE ARG A 4 16.670 6.273 -9.699 1.00 0.00 N ATOM 66 CZ ARG A 4 17.378 6.148 -10.818 1.00 0.00 C ATOM 67 NH1 ARG A 4 16.886 5.468 -11.845 1.00 0.00 N ATOM 68 NH2 ARG A 4 18.581 6.700 -10.909 1.00 0.00 N ATOM 0 H ARG A 4 16.960 2.325 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 4 15.630 4.850 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 4 17.003 4.820 -7.503 1.00 0.00 H new ATOM 0 HB3 ARG A 4 16.011 3.518 -8.128 1.00 0.00 H new ATOM 0 HG2 ARG A 4 14.007 5.038 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 4 15.076 6.338 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 4 15.241 4.799 -10.103 1.00 0.00 H new ATOM 0 HD3 ARG A 4 14.593 6.416 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 4 17.085 6.788 -8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.963 5.040 -11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 4 17.431 5.374 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 4 18.964 7.221 -10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 4 19.123 6.603 -11.768 1.00 0.00 H new ATOM 82 N ARG A 5 13.299 4.011 -5.513 1.00 0.00 N ATOM 83 CA ARG A 5 11.942 3.483 -5.426 1.00 0.00 C ATOM 84 C ARG A 5 10.941 4.449 -6.053 1.00 0.00 C ATOM 85 O ARG A 5 10.055 4.039 -6.803 1.00 0.00 O ATOM 86 CB ARG A 5 11.566 3.215 -3.968 1.00 0.00 C ATOM 87 CG ARG A 5 12.392 2.117 -3.317 1.00 0.00 C ATOM 88 CD ARG A 5 11.968 1.882 -1.876 1.00 0.00 C ATOM 89 NE ARG A 5 12.640 0.725 -1.290 1.00 0.00 N ATOM 90 CZ ARG A 5 12.651 0.459 0.014 1.00 0.00 C ATOM 91 NH1 ARG A 5 12.041 1.273 0.865 1.00 0.00 N ATOM 92 NH2 ARG A 5 13.276 -0.620 0.466 1.00 0.00 N ATOM 0 H ARG A 5 13.406 4.959 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 5 11.909 2.544 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.685 4.135 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.512 2.943 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.283 1.193 -3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.447 2.387 -3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.191 2.769 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.889 1.734 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 5 13.129 0.085 -1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.562 2.105 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.051 1.067 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.748 -1.246 -0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.284 -0.823 1.465 1.00 0.00 H new ATOM 106 N SER A 6 11.089 5.732 -5.738 1.00 0.00 N ATOM 107 CA SER A 6 10.196 6.757 -6.269 1.00 0.00 C ATOM 108 C SER A 6 10.830 7.472 -7.460 1.00 0.00 C ATOM 109 O SER A 6 11.944 7.989 -7.364 1.00 0.00 O ATOM 110 CB SER A 6 9.845 7.771 -5.178 1.00 0.00 C ATOM 111 OG SER A 6 9.202 7.141 -4.084 1.00 0.00 O ATOM 0 H SER A 6 11.818 6.087 -5.119 1.00 0.00 H new ATOM 0 HA SER A 6 9.284 6.267 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.752 8.268 -4.834 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.195 8.543 -5.590 1.00 0.00 H new ATOM 0 HG SER A 6 8.990 7.810 -3.400 1.00 0.00 H new ATOM 117 N VAL A 7 10.113 7.495 -8.579 1.00 0.00 N ATOM 118 CA VAL A 7 10.602 8.146 -9.789 1.00 0.00 C ATOM 119 C VAL A 7 9.676 9.293 -10.198 1.00 0.00 C ATOM 120 O VAL A 7 8.896 9.788 -9.385 1.00 0.00 O ATOM 121 CB VAL A 7 10.738 7.142 -10.957 1.00 0.00 C ATOM 122 CG1 VAL A 7 11.940 7.488 -11.827 1.00 0.00 C ATOM 123 CG2 VAL A 7 10.859 5.719 -10.433 1.00 0.00 C ATOM 0 H VAL A 7 9.191 7.070 -8.673 1.00 0.00 H new ATOM 0 HA VAL A 7 11.590 8.547 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 7 9.837 7.210 -11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.018 6.769 -12.643 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.816 8.490 -12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.848 7.452 -11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.954 5.029 -11.272 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.740 5.639 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.970 5.467 -9.855 1.00 0.00 H new ATOM 133 N GLN A 8 9.767 9.710 -11.457 1.00 0.00 N ATOM 134 CA GLN A 8 8.950 10.809 -11.966 1.00 0.00 C ATOM 135 C GLN A 8 7.616 10.315 -12.525 1.00 0.00 C ATOM 136 O GLN A 8 7.262 10.608 -13.667 1.00 0.00 O ATOM 137 CB GLN A 8 9.718 11.568 -13.048 1.00 0.00 C ATOM 138 CG GLN A 8 10.192 10.686 -14.191 1.00 0.00 C ATOM 139 CD GLN A 8 10.974 11.453 -15.241 1.00 0.00 C ATOM 140 OE1 GLN A 8 11.867 10.907 -15.886 1.00 0.00 O ATOM 141 NE2 GLN A 8 10.637 12.726 -15.421 1.00 0.00 N ATOM 0 H GLN A 8 10.400 9.303 -12.146 1.00 0.00 H new ATOM 0 HA GLN A 8 8.733 11.475 -11.131 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.081 12.356 -13.449 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.581 12.056 -12.595 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.816 9.886 -13.792 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.329 10.213 -14.661 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.889 13.139 -14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.126 13.290 -16.116 1.00 0.00 H new ATOM 150 N TRP A 9 6.878 9.568 -11.712 1.00 0.00 N ATOM 151 CA TRP A 9 5.581 9.042 -12.131 1.00 0.00 C ATOM 152 C TRP A 9 4.602 8.976 -10.958 1.00 0.00 C ATOM 153 O TRP A 9 4.848 9.554 -9.901 1.00 0.00 O ATOM 154 CB TRP A 9 5.735 7.665 -12.792 1.00 0.00 C ATOM 155 CG TRP A 9 6.530 6.666 -11.999 1.00 0.00 C ATOM 156 CD1 TRP A 9 7.105 6.844 -10.771 1.00 0.00 C ATOM 157 CD2 TRP A 9 6.839 5.323 -12.393 1.00 0.00 C ATOM 158 NE1 TRP A 9 7.751 5.698 -10.383 1.00 0.00 N ATOM 159 CE2 TRP A 9 7.601 4.749 -11.360 1.00 0.00 C ATOM 160 CE3 TRP A 9 6.542 4.550 -13.519 1.00 0.00 C ATOM 161 CZ2 TRP A 9 8.071 3.440 -11.419 1.00 0.00 C ATOM 162 CZ3 TRP A 9 7.010 3.250 -13.578 1.00 0.00 C ATOM 163 CH2 TRP A 9 7.766 2.707 -12.532 1.00 0.00 C ATOM 0 H TRP A 9 7.152 9.313 -10.763 1.00 0.00 H new ATOM 0 HA TRP A 9 5.169 9.729 -12.870 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.742 7.254 -12.976 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.211 7.796 -13.764 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.057 7.754 -10.191 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.261 5.572 -9.508 1.00 0.00 H new ATOM 0 HE3 TRP A 9 5.957 4.961 -14.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.656 3.019 -10.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 6.789 2.644 -14.444 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.115 1.688 -12.606 1.00 0.00 H new ATOM 174 N CYS A 10 3.492 8.271 -11.156 1.00 0.00 N ATOM 175 CA CYS A 10 2.466 8.139 -10.124 1.00 0.00 C ATOM 176 C CYS A 10 2.852 7.104 -9.070 1.00 0.00 C ATOM 177 O CYS A 10 2.368 7.149 -7.938 1.00 0.00 O ATOM 178 CB CYS A 10 1.131 7.756 -10.765 1.00 0.00 C ATOM 179 SG CYS A 10 0.404 6.210 -10.131 1.00 0.00 S ATOM 0 H CYS A 10 3.279 7.780 -12.024 1.00 0.00 H new ATOM 0 HA CYS A 10 2.371 9.103 -9.624 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.421 8.568 -10.608 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.273 7.661 -11.841 1.00 0.00 H new ATOM 184 N ALA A 11 3.726 6.179 -9.446 1.00 0.00 N ATOM 185 CA ALA A 11 4.169 5.124 -8.536 1.00 0.00 C ATOM 186 C ALA A 11 4.781 5.687 -7.252 1.00 0.00 C ATOM 187 O ALA A 11 5.051 4.941 -6.312 1.00 0.00 O ATOM 188 CB ALA A 11 5.163 4.212 -9.234 1.00 0.00 C ATOM 0 H ALA A 11 4.144 6.136 -10.375 1.00 0.00 H new ATOM 0 HA ALA A 11 3.287 4.550 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.485 3.431 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.690 3.757 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.028 4.793 -9.554 1.00 0.00 H new ATOM 194 N VAL A 12 4.998 7.000 -7.219 1.00 0.00 N ATOM 195 CA VAL A 12 5.573 7.651 -6.044 1.00 0.00 C ATOM 196 C VAL A 12 4.815 7.269 -4.774 1.00 0.00 C ATOM 197 O VAL A 12 5.422 6.934 -3.757 1.00 0.00 O ATOM 198 CB VAL A 12 5.568 9.188 -6.194 1.00 0.00 C ATOM 199 CG1 VAL A 12 5.932 9.863 -4.879 1.00 0.00 C ATOM 200 CG2 VAL A 12 6.523 9.617 -7.297 1.00 0.00 C ATOM 0 H VAL A 12 4.785 7.633 -7.990 1.00 0.00 H new ATOM 0 HA VAL A 12 6.604 7.305 -5.963 1.00 0.00 H new ATOM 0 HB VAL A 12 4.560 9.500 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.922 10.945 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.208 9.583 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.928 9.545 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.507 10.703 -7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.533 9.288 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.214 9.168 -8.241 1.00 0.00 H new ATOM 210 N SER A 13 3.488 7.322 -4.840 1.00 0.00 N ATOM 211 CA SER A 13 2.653 6.981 -3.693 1.00 0.00 C ATOM 212 C SER A 13 1.666 5.872 -4.043 1.00 0.00 C ATOM 213 O SER A 13 0.623 6.124 -4.648 1.00 0.00 O ATOM 214 CB SER A 13 1.894 8.217 -3.204 1.00 0.00 C ATOM 215 OG SER A 13 1.081 7.907 -2.087 1.00 0.00 O ATOM 0 H SER A 13 2.969 7.597 -5.674 1.00 0.00 H new ATOM 0 HA SER A 13 3.305 6.622 -2.897 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.603 9.000 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.275 8.610 -4.010 1.00 0.00 H new ATOM 0 HG SER A 13 0.608 8.713 -1.793 1.00 0.00 H new ATOM 221 N GLN A 14 2.001 4.644 -3.659 1.00 0.00 N ATOM 222 CA GLN A 14 1.142 3.498 -3.929 1.00 0.00 C ATOM 223 C GLN A 14 1.097 2.554 -2.728 1.00 0.00 C ATOM 224 O GLN A 14 2.071 2.445 -1.985 1.00 0.00 O ATOM 225 CB GLN A 14 1.626 2.752 -5.175 1.00 0.00 C ATOM 226 CG GLN A 14 3.101 2.383 -5.136 1.00 0.00 C ATOM 227 CD GLN A 14 3.661 2.090 -6.516 1.00 0.00 C ATOM 228 OE1 GLN A 14 4.830 2.351 -6.792 1.00 0.00 O ATOM 229 NE2 GLN A 14 2.825 1.542 -7.393 1.00 0.00 N ATOM 0 H GLN A 14 2.861 4.418 -3.160 1.00 0.00 H new ATOM 0 HA GLN A 14 0.132 3.865 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.037 1.843 -5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.439 3.371 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.665 3.199 -4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.237 1.509 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.862 1.341 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.147 1.322 -8.336 1.00 0.00 H new ATOM 238 N PRO A 15 -0.037 1.857 -2.521 1.00 0.00 N ATOM 239 CA PRO A 15 -0.198 0.931 -1.395 1.00 0.00 C ATOM 240 C PRO A 15 0.884 -0.144 -1.363 1.00 0.00 C ATOM 241 O PRO A 15 1.827 -0.063 -0.574 1.00 0.00 O ATOM 242 CB PRO A 15 -1.577 0.297 -1.628 1.00 0.00 C ATOM 243 CG PRO A 15 -1.925 0.610 -3.045 1.00 0.00 C ATOM 244 CD PRO A 15 -1.244 1.909 -3.360 1.00 0.00 C ATOM 0 HA PRO A 15 -0.114 1.448 -0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.548 -0.780 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.318 0.707 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.586 -0.181 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.004 0.694 -3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.997 1.990 -4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.872 2.765 -3.113 1.00 0.00 H new ATOM 252 N GLU A 16 0.745 -1.146 -2.226 1.00 0.00 N ATOM 253 CA GLU A 16 1.710 -2.237 -2.288 1.00 0.00 C ATOM 254 C GLU A 16 2.025 -2.611 -3.733 1.00 0.00 C ATOM 255 O GLU A 16 2.528 -3.702 -4.005 1.00 0.00 O ATOM 256 CB GLU A 16 1.178 -3.460 -1.539 1.00 0.00 C ATOM 257 CG GLU A 16 0.882 -3.195 -0.071 1.00 0.00 C ATOM 258 CD GLU A 16 0.425 -4.440 0.663 1.00 0.00 C ATOM 259 OE1 GLU A 16 -0.796 -4.704 0.682 1.00 0.00 O ATOM 260 OE2 GLU A 16 1.287 -5.151 1.220 1.00 0.00 O ATOM 0 H GLU A 16 -0.025 -1.224 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 16 2.630 -1.897 -1.813 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.267 -3.807 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.907 -4.267 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.776 -2.801 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.112 -2.427 0.008 1.00 0.00 H new ATOM 267 N ALA A 17 1.729 -1.702 -4.657 1.00 0.00 N ATOM 268 CA ALA A 17 1.986 -1.945 -6.071 1.00 0.00 C ATOM 269 C ALA A 17 3.446 -1.689 -6.412 1.00 0.00 C ATOM 270 O ALA A 17 3.840 -1.709 -7.577 1.00 0.00 O ATOM 271 CB ALA A 17 1.073 -1.089 -6.934 1.00 0.00 C ATOM 0 H ALA A 17 1.312 -0.794 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 17 1.772 -2.993 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.279 -1.284 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.033 -1.333 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.251 -0.035 -6.718 1.00 0.00 H new ATOM 277 N THR A 18 4.242 -1.446 -5.380 1.00 0.00 N ATOM 278 CA THR A 18 5.667 -1.202 -5.551 1.00 0.00 C ATOM 279 C THR A 18 6.468 -2.303 -4.881 1.00 0.00 C ATOM 280 O THR A 18 7.531 -2.696 -5.362 1.00 0.00 O ATOM 281 CB THR A 18 6.094 0.158 -4.969 1.00 0.00 C ATOM 282 OG1 THR A 18 7.510 0.327 -5.104 1.00 0.00 O ATOM 283 CG2 THR A 18 5.702 0.270 -3.502 1.00 0.00 C ATOM 0 H THR A 18 3.923 -1.413 -4.412 1.00 0.00 H new ATOM 0 HA THR A 18 5.866 -1.191 -6.623 1.00 0.00 H new ATOM 0 HB THR A 18 5.580 0.942 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.773 1.195 -4.733 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.015 1.240 -3.115 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.621 0.173 -3.406 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.190 -0.522 -2.934 1.00 0.00 H new ATOM 291 N LYS A 19 5.948 -2.795 -3.765 1.00 0.00 N ATOM 292 CA LYS A 19 6.596 -3.871 -3.040 1.00 0.00 C ATOM 293 C LYS A 19 5.975 -5.181 -3.447 1.00 0.00 C ATOM 294 O LYS A 19 5.503 -5.967 -2.624 1.00 0.00 O ATOM 295 CB LYS A 19 6.472 -3.690 -1.546 1.00 0.00 C ATOM 296 CG LYS A 19 7.272 -4.711 -0.761 1.00 0.00 C ATOM 297 CD LYS A 19 6.420 -5.396 0.293 1.00 0.00 C ATOM 298 CE LYS A 19 7.269 -6.221 1.247 1.00 0.00 C ATOM 299 NZ LYS A 19 8.288 -5.390 1.945 1.00 0.00 N ATOM 0 H LYS A 19 5.079 -2.464 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 19 7.658 -3.862 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.807 -2.688 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.422 -3.762 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.679 -5.458 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.120 -4.221 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.863 -4.647 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.687 -6.040 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.625 -6.700 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.767 -7.017 0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.608 -5.882 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.099 -5.233 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.870 -4.474 2.206 1.00 0.00 H new ATOM 313 N CYS A 20 5.964 -5.383 -4.737 1.00 0.00 N ATOM 314 CA CYS A 20 5.418 -6.580 -5.324 1.00 0.00 C ATOM 315 C CYS A 20 6.464 -7.684 -5.241 1.00 0.00 C ATOM 316 O CYS A 20 6.640 -8.482 -6.162 1.00 0.00 O ATOM 317 CB CYS A 20 5.024 -6.273 -6.763 1.00 0.00 C ATOM 318 SG CYS A 20 3.872 -4.871 -6.915 1.00 0.00 S ATOM 0 H CYS A 20 6.336 -4.718 -5.416 1.00 0.00 H new ATOM 0 HA CYS A 20 4.529 -6.919 -4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.923 -6.059 -7.340 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.566 -7.159 -7.203 1.00 0.00 H new ATOM 323 N PHE A 21 7.152 -7.700 -4.101 1.00 0.00 N ATOM 324 CA PHE A 21 8.215 -8.650 -3.828 1.00 0.00 C ATOM 325 C PHE A 21 7.691 -9.952 -3.254 1.00 0.00 C ATOM 326 O PHE A 21 7.400 -10.894 -3.991 1.00 0.00 O ATOM 327 CB PHE A 21 9.199 -8.035 -2.840 1.00 0.00 C ATOM 328 CG PHE A 21 10.508 -7.689 -3.451 1.00 0.00 C ATOM 329 CD1 PHE A 21 11.369 -8.690 -3.844 1.00 0.00 C ATOM 330 CD2 PHE A 21 10.876 -6.372 -3.626 1.00 0.00 C ATOM 331 CE1 PHE A 21 12.584 -8.389 -4.407 1.00 0.00 C ATOM 332 CE2 PHE A 21 12.089 -6.053 -4.188 1.00 0.00 C ATOM 333 CZ PHE A 21 12.952 -7.063 -4.583 1.00 0.00 C ATOM 0 H PHE A 21 6.981 -7.046 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 21 8.704 -8.875 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.757 -7.136 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.363 -8.733 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.085 -9.723 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.205 -5.584 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.251 -9.182 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.369 -5.018 -4.321 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.906 -6.819 -5.026 1.00 0.00 H new ATOM 343 N GLN A 22 7.570 -10.002 -1.929 1.00 0.00 N ATOM 344 CA GLN A 22 7.104 -11.199 -1.275 1.00 0.00 C ATOM 345 C GLN A 22 6.195 -10.895 -0.104 1.00 0.00 C ATOM 346 O GLN A 22 6.582 -10.251 0.871 1.00 0.00 O ATOM 347 CB GLN A 22 8.266 -12.067 -0.818 1.00 0.00 C ATOM 348 CG GLN A 22 8.256 -13.434 -1.473 1.00 0.00 C ATOM 349 CD GLN A 22 9.180 -14.420 -0.784 1.00 0.00 C ATOM 350 OE1 GLN A 22 10.189 -14.036 -0.192 1.00 0.00 O ATOM 351 NE2 GLN A 22 8.839 -15.702 -0.861 1.00 0.00 N ATOM 0 H GLN A 22 7.789 -9.229 -1.301 1.00 0.00 H new ATOM 0 HA GLN A 22 6.523 -11.749 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.205 -11.563 -1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.224 -12.185 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.240 -13.828 -1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.552 -13.334 -2.517 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.994 -15.976 -1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.422 -16.412 -0.419 1.00 0.00 H new ATOM 360 N TRP A 23 4.982 -11.377 -0.235 1.00 0.00 N ATOM 361 CA TRP A 23 3.952 -11.222 0.766 1.00 0.00 C ATOM 362 C TRP A 23 3.583 -12.603 1.277 1.00 0.00 C ATOM 363 O TRP A 23 4.124 -13.087 2.272 1.00 0.00 O ATOM 364 CB TRP A 23 2.747 -10.540 0.108 1.00 0.00 C ATOM 365 CG TRP A 23 3.130 -9.896 -1.180 1.00 0.00 C ATOM 366 CD1 TRP A 23 3.818 -8.734 -1.348 1.00 0.00 C ATOM 367 CD2 TRP A 23 2.891 -10.413 -2.484 1.00 0.00 C ATOM 368 NE1 TRP A 23 4.019 -8.498 -2.680 1.00 0.00 N ATOM 369 CE2 TRP A 23 3.461 -9.514 -3.396 1.00 0.00 C ATOM 370 CE3 TRP A 23 2.250 -11.550 -2.972 1.00 0.00 C ATOM 371 CZ2 TRP A 23 3.418 -9.716 -4.760 1.00 0.00 C ATOM 372 CZ3 TRP A 23 2.205 -11.748 -4.335 1.00 0.00 C ATOM 373 CH2 TRP A 23 2.791 -10.837 -5.217 1.00 0.00 C ATOM 0 H TRP A 23 4.677 -11.898 -1.057 1.00 0.00 H new ATOM 0 HA TRP A 23 4.289 -10.612 1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.962 -11.275 -0.069 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.336 -9.791 0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.156 -8.093 -0.547 1.00 0.00 H new ATOM 0 HE1 TRP A 23 4.507 -7.693 -3.073 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.798 -12.261 -2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.866 -9.010 -5.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.708 -12.623 -4.728 1.00 0.00 H new ATOM 0 HH2 TRP A 23 2.747 -11.024 -6.280 1.00 0.00 H new ATOM 384 N GLN A 24 2.654 -13.221 0.575 1.00 0.00 N ATOM 385 CA GLN A 24 2.205 -14.561 0.881 1.00 0.00 C ATOM 386 C GLN A 24 1.733 -15.225 -0.403 1.00 0.00 C ATOM 387 O GLN A 24 1.308 -14.537 -1.333 1.00 0.00 O ATOM 388 CB GLN A 24 1.101 -14.548 1.938 1.00 0.00 C ATOM 389 CG GLN A 24 -0.058 -13.633 1.601 1.00 0.00 C ATOM 390 CD GLN A 24 -0.925 -13.325 2.807 1.00 0.00 C ATOM 391 OE1 GLN A 24 -0.444 -13.294 3.940 1.00 0.00 O ATOM 392 NE2 GLN A 24 -2.211 -13.095 2.569 1.00 0.00 N ATOM 0 H GLN A 24 2.187 -12.803 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 24 3.033 -15.133 1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.724 -15.562 2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.528 -14.241 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.327 -12.701 1.187 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.669 -14.097 0.827 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.567 -13.131 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.843 -12.882 3.341 1.00 0.00 H new ATOM 401 N ARG A 25 1.827 -16.543 -0.467 1.00 0.00 N ATOM 402 CA ARG A 25 1.378 -17.286 -1.646 1.00 0.00 C ATOM 403 C ARG A 25 0.040 -16.767 -2.163 1.00 0.00 C ATOM 404 O ARG A 25 -0.296 -16.963 -3.326 1.00 0.00 O ATOM 405 CB ARG A 25 1.248 -18.779 -1.329 1.00 0.00 C ATOM 406 CG ARG A 25 0.642 -19.072 0.036 1.00 0.00 C ATOM 407 CD ARG A 25 1.697 -19.086 1.131 1.00 0.00 C ATOM 408 NE ARG A 25 1.448 -18.064 2.144 1.00 0.00 N ATOM 409 CZ ARG A 25 2.087 -18.008 3.309 1.00 0.00 C ATOM 410 NH1 ARG A 25 3.016 -18.908 3.605 1.00 0.00 N ATOM 411 NH2 ARG A 25 1.797 -17.050 4.180 1.00 0.00 N ATOM 0 H ARG A 25 2.209 -17.125 0.279 1.00 0.00 H new ATOM 0 HA ARG A 25 2.131 -17.140 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.634 -19.251 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.235 -19.239 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.112 -18.320 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.134 -20.036 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.716 -20.068 1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.680 -18.926 0.689 1.00 0.00 H new ATOM 0 HE ARG A 25 0.744 -17.353 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.242 -19.646 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.504 -18.862 4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.084 -16.356 3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.287 -17.007 5.073 1.00 0.00 H new ATOM 425 N ASN A 26 -0.734 -16.132 -1.295 1.00 0.00 N ATOM 426 CA ASN A 26 -2.022 -15.584 -1.700 1.00 0.00 C ATOM 427 C ASN A 26 -2.365 -14.309 -0.928 1.00 0.00 C ATOM 428 O ASN A 26 -3.284 -14.297 -0.107 1.00 0.00 O ATOM 429 CB ASN A 26 -3.123 -16.632 -1.538 1.00 0.00 C ATOM 430 CG ASN A 26 -3.255 -17.140 -0.118 1.00 0.00 C ATOM 431 OD1 ASN A 26 -2.332 -17.030 0.689 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.408 -17.716 0.185 1.00 0.00 N ATOM 0 H ASN A 26 -0.497 -15.984 -0.314 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.950 -15.314 -2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.074 -16.203 -1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.917 -17.473 -2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.560 -18.092 1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.144 -17.784 -0.518 1.00 0.00 H new ATOM 439 N MET A 27 -1.621 -13.235 -1.196 1.00 0.00 N ATOM 440 CA MET A 27 -1.863 -11.954 -0.533 1.00 0.00 C ATOM 441 C MET A 27 -3.283 -11.485 -0.819 1.00 0.00 C ATOM 442 O MET A 27 -3.905 -10.796 -0.010 1.00 0.00 O ATOM 443 CB MET A 27 -0.849 -10.907 -1.004 1.00 0.00 C ATOM 444 CG MET A 27 -0.715 -9.719 -0.062 1.00 0.00 C ATOM 445 SD MET A 27 -2.007 -8.487 -0.297 1.00 0.00 S ATOM 446 CE MET A 27 -1.553 -7.819 -1.896 1.00 0.00 C ATOM 0 H MET A 27 -0.850 -13.227 -1.864 1.00 0.00 H new ATOM 0 HA MET A 27 -1.744 -12.085 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.125 -11.382 -1.116 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.143 -10.547 -1.990 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.742 -10.074 0.968 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.258 -9.251 -0.212 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.055 -6.863 -2.047 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.474 -7.672 -1.936 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.854 -8.514 -2.680 1.00 0.00 H new ATOM 456 N ARG A 28 -3.779 -11.876 -1.984 1.00 0.00 N ATOM 457 CA ARG A 28 -5.128 -11.538 -2.412 1.00 0.00 C ATOM 458 C ARG A 28 -5.716 -12.704 -3.188 1.00 0.00 C ATOM 459 O ARG A 28 -6.715 -13.294 -2.779 1.00 0.00 O ATOM 460 CB ARG A 28 -5.122 -10.278 -3.281 1.00 0.00 C ATOM 461 CG ARG A 28 -4.787 -9.009 -2.514 1.00 0.00 C ATOM 462 CD ARG A 28 -5.873 -8.662 -1.508 1.00 0.00 C ATOM 463 NE ARG A 28 -5.515 -7.503 -0.695 1.00 0.00 N ATOM 464 CZ ARG A 28 -6.289 -7.011 0.267 1.00 0.00 C ATOM 465 NH1 ARG A 28 -7.464 -7.568 0.527 1.00 0.00 N ATOM 466 NH2 ARG A 28 -5.889 -5.959 0.969 1.00 0.00 N ATOM 0 H ARG A 28 -3.258 -12.436 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.739 -11.340 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.399 -10.406 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.101 -10.163 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.837 -9.136 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.660 -8.183 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.805 -8.461 -2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.053 -9.519 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.621 -7.046 -0.875 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.776 -8.376 -0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.056 -7.188 1.266 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.987 -5.527 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.484 -5.582 1.707 1.00 0.00 H new ATOM 480 N LYS A 29 -5.069 -13.038 -4.300 1.00 0.00 N ATOM 481 CA LYS A 29 -5.499 -14.142 -5.147 1.00 0.00 C ATOM 482 C LYS A 29 -4.384 -14.547 -6.106 1.00 0.00 C ATOM 483 O LYS A 29 -4.638 -15.132 -7.159 1.00 0.00 O ATOM 484 CB LYS A 29 -6.759 -13.763 -5.928 1.00 0.00 C ATOM 485 CG LYS A 29 -8.047 -14.226 -5.265 1.00 0.00 C ATOM 486 CD LYS A 29 -8.224 -15.731 -5.377 1.00 0.00 C ATOM 487 CE LYS A 29 -9.514 -16.184 -4.711 1.00 0.00 C ATOM 488 NZ LYS A 29 -10.713 -15.590 -5.364 1.00 0.00 N ATOM 0 H LYS A 29 -4.237 -12.554 -4.637 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.732 -14.993 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.790 -12.680 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.700 -14.193 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.040 -13.937 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.896 -13.724 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.232 -16.022 -6.428 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.376 -16.235 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.580 -17.271 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.497 -15.903 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.566 -16.094 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.788 -14.586 -5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.624 -15.675 -6.397 1.00 0.00 H new ATOM 502 N VAL A 30 -3.145 -14.229 -5.733 1.00 0.00 N ATOM 503 CA VAL A 30 -1.992 -14.561 -6.552 1.00 0.00 C ATOM 504 C VAL A 30 -1.802 -16.077 -6.607 1.00 0.00 C ATOM 505 O VAL A 30 -2.384 -16.810 -5.808 1.00 0.00 O ATOM 506 CB VAL A 30 -0.705 -13.878 -6.025 1.00 0.00 C ATOM 507 CG1 VAL A 30 -0.908 -12.374 -5.884 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.272 -14.472 -4.697 1.00 0.00 C ATOM 0 H VAL A 30 -2.919 -13.741 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.179 -14.187 -7.559 1.00 0.00 H new ATOM 0 HB VAL A 30 0.084 -14.058 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.009 -11.916 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.158 -11.948 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.720 -12.181 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.634 -13.972 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.064 -14.334 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.074 -15.537 -4.822 1.00 0.00 H new ATOM 518 N ARG A 31 -1.001 -16.538 -7.561 1.00 0.00 N ATOM 519 CA ARG A 31 -0.741 -17.970 -7.734 1.00 0.00 C ATOM 520 C ARG A 31 -0.047 -18.560 -6.502 1.00 0.00 C ATOM 521 O ARG A 31 -0.500 -18.360 -5.378 1.00 0.00 O ATOM 522 CB ARG A 31 0.104 -18.200 -8.990 1.00 0.00 C ATOM 523 CG ARG A 31 1.374 -17.364 -9.036 1.00 0.00 C ATOM 524 CD ARG A 31 2.091 -17.518 -10.367 1.00 0.00 C ATOM 525 NE ARG A 31 1.245 -17.126 -11.491 1.00 0.00 N ATOM 526 CZ ARG A 31 1.369 -17.624 -12.717 1.00 0.00 C ATOM 527 NH1 ARG A 31 2.313 -18.517 -12.982 1.00 0.00 N ATOM 528 NH2 ARG A 31 0.551 -17.225 -13.681 1.00 0.00 N ATOM 0 H ARG A 31 -0.517 -15.941 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.697 -18.480 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.372 -19.255 -9.048 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.500 -17.976 -9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.127 -16.315 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.039 -17.664 -8.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.996 -16.910 -10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.404 -18.554 -10.493 1.00 0.00 H new ATOM 0 HE ARG A 31 0.518 -16.430 -11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.947 -18.824 -12.244 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.405 -18.897 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.174 -16.536 -13.482 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.647 -17.607 -14.622 1.00 0.00 H new ATOM 542 N GLY A 32 1.032 -19.316 -6.715 1.00 0.00 N ATOM 543 CA GLY A 32 1.759 -19.890 -5.596 1.00 0.00 C ATOM 544 C GLY A 32 2.403 -18.807 -4.749 1.00 0.00 C ATOM 545 O GLY A 32 1.800 -17.755 -4.548 1.00 0.00 O ATOM 0 H GLY A 32 1.411 -19.538 -7.635 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.080 -20.481 -4.981 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.526 -20.570 -5.967 1.00 0.00 H new ATOM 549 N PRO A 33 3.633 -19.015 -4.237 1.00 0.00 N ATOM 550 CA PRO A 33 4.318 -18.003 -3.433 1.00 0.00 C ATOM 551 C PRO A 33 4.226 -16.637 -4.106 1.00 0.00 C ATOM 552 O PRO A 33 4.011 -16.569 -5.315 1.00 0.00 O ATOM 553 CB PRO A 33 5.775 -18.491 -3.379 1.00 0.00 C ATOM 554 CG PRO A 33 5.848 -19.679 -4.288 1.00 0.00 C ATOM 555 CD PRO A 33 4.452 -20.220 -4.401 1.00 0.00 C ATOM 0 HA PRO A 33 3.883 -17.885 -2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.461 -17.708 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.058 -18.761 -2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.234 -19.394 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.524 -20.433 -3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.279 -20.701 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.241 -20.963 -3.632 1.00 0.00 H new ATOM 563 N PRO A 34 4.378 -15.529 -3.352 1.00 0.00 N ATOM 564 CA PRO A 34 4.286 -14.185 -3.916 1.00 0.00 C ATOM 565 C PRO A 34 4.872 -14.102 -5.309 1.00 0.00 C ATOM 566 O PRO A 34 5.972 -14.591 -5.566 1.00 0.00 O ATOM 567 CB PRO A 34 5.085 -13.356 -2.932 1.00 0.00 C ATOM 568 CG PRO A 34 4.776 -13.996 -1.629 1.00 0.00 C ATOM 569 CD PRO A 34 4.665 -15.480 -1.905 1.00 0.00 C ATOM 0 HA PRO A 34 3.256 -13.850 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.152 -13.385 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.784 -12.309 -2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.560 -13.793 -0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.846 -13.606 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.587 -16.006 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.869 -15.941 -1.320 1.00 0.00 H new ATOM 577 N VAL A 35 4.130 -13.477 -6.208 1.00 0.00 N ATOM 578 CA VAL A 35 4.567 -13.371 -7.592 1.00 0.00 C ATOM 579 C VAL A 35 4.140 -12.055 -8.247 1.00 0.00 C ATOM 580 O VAL A 35 4.972 -11.178 -8.485 1.00 0.00 O ATOM 581 CB VAL A 35 4.045 -14.578 -8.409 1.00 0.00 C ATOM 582 CG1 VAL A 35 3.944 -14.253 -9.894 1.00 0.00 C ATOM 583 CG2 VAL A 35 4.949 -15.783 -8.196 1.00 0.00 C ATOM 0 H VAL A 35 3.231 -13.039 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 35 5.657 -13.380 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 35 3.042 -14.811 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.574 -15.125 -10.433 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.257 -13.419 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.929 -13.982 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.573 -16.627 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.961 -15.541 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.962 -16.046 -7.138 1.00 0.00 H new ATOM 593 N SER A 36 2.849 -11.914 -8.537 1.00 0.00 N ATOM 594 CA SER A 36 2.346 -10.706 -9.185 1.00 0.00 C ATOM 595 C SER A 36 1.351 -9.962 -8.304 1.00 0.00 C ATOM 596 O SER A 36 0.456 -10.562 -7.714 1.00 0.00 O ATOM 597 CB SER A 36 1.689 -11.062 -10.521 1.00 0.00 C ATOM 598 OG SER A 36 0.564 -11.901 -10.329 1.00 0.00 O ATOM 0 H SER A 36 2.137 -12.616 -8.335 1.00 0.00 H new ATOM 0 HA SER A 36 3.197 -10.047 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.383 -10.150 -11.034 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.413 -11.562 -11.164 1.00 0.00 H new ATOM 0 HG SER A 36 0.202 -11.761 -9.429 1.00 0.00 H new ATOM 604 N CYS A 37 1.517 -8.647 -8.233 1.00 0.00 N ATOM 605 CA CYS A 37 0.636 -7.799 -7.438 1.00 0.00 C ATOM 606 C CYS A 37 -0.466 -7.213 -8.309 1.00 0.00 C ATOM 607 O CYS A 37 -1.635 -7.197 -7.925 1.00 0.00 O ATOM 608 CB CYS A 37 1.439 -6.673 -6.789 1.00 0.00 C ATOM 609 SG CYS A 37 2.330 -5.627 -7.985 1.00 0.00 S ATOM 0 H CYS A 37 2.258 -8.142 -8.719 1.00 0.00 H new ATOM 0 HA CYS A 37 0.179 -8.408 -6.658 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.764 -6.048 -6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.157 -7.105 -6.092 1.00 0.00 H new ATOM 614 N ILE A 38 -0.080 -6.731 -9.484 1.00 0.00 N ATOM 615 CA ILE A 38 -1.028 -6.144 -10.420 1.00 0.00 C ATOM 616 C ILE A 38 -1.361 -7.126 -11.541 1.00 0.00 C ATOM 617 O ILE A 38 -0.475 -7.793 -12.076 1.00 0.00 O ATOM 618 CB ILE A 38 -0.474 -4.842 -11.028 1.00 0.00 C ATOM 619 CG1 ILE A 38 -0.042 -3.881 -9.918 1.00 0.00 C ATOM 620 CG2 ILE A 38 -1.520 -4.192 -11.917 1.00 0.00 C ATOM 621 CD1 ILE A 38 0.794 -2.720 -10.411 1.00 0.00 C ATOM 0 H ILE A 38 0.886 -6.736 -9.811 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.936 -5.914 -9.863 1.00 0.00 H new ATOM 0 HB ILE A 38 0.398 -5.082 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.930 -3.492 -9.420 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.526 -4.435 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.117 -3.272 -12.341 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.789 -4.876 -12.722 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.407 -3.961 -11.326 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.063 -2.082 -9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.700 -3.099 -10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.222 -2.142 -11.136 1.00 0.00 H new ATOM 633 N LYS A 39 -2.642 -7.210 -11.892 1.00 0.00 N ATOM 634 CA LYS A 39 -3.085 -8.121 -12.944 1.00 0.00 C ATOM 635 C LYS A 39 -3.996 -7.415 -13.948 1.00 0.00 C ATOM 636 O LYS A 39 -5.151 -7.805 -14.130 1.00 0.00 O ATOM 637 CB LYS A 39 -3.822 -9.312 -12.330 1.00 0.00 C ATOM 638 CG LYS A 39 -3.015 -10.055 -11.279 1.00 0.00 C ATOM 639 CD LYS A 39 -3.886 -11.030 -10.505 1.00 0.00 C ATOM 640 CE LYS A 39 -3.100 -11.748 -9.420 1.00 0.00 C ATOM 641 NZ LYS A 39 -3.961 -12.676 -8.636 1.00 0.00 N ATOM 0 H LYS A 39 -3.388 -6.661 -11.466 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.200 -8.472 -13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.751 -8.961 -11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.095 -10.007 -13.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.198 -10.595 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.564 -9.340 -10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.721 -10.493 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.311 -11.762 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.282 -12.307 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.652 -11.014 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.837 -12.490 -7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.957 -12.528 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.691 -13.659 -8.844 1.00 0.00 H new ATOM 655 N ARG A 40 -3.477 -6.378 -14.599 1.00 0.00 N ATOM 656 CA ARG A 40 -4.253 -5.635 -15.586 1.00 0.00 C ATOM 657 C ARG A 40 -3.369 -5.149 -16.728 1.00 0.00 C ATOM 658 O ARG A 40 -3.763 -5.194 -17.894 1.00 0.00 O ATOM 659 CB ARG A 40 -4.958 -4.442 -14.935 1.00 0.00 C ATOM 660 CG ARG A 40 -4.014 -3.477 -14.236 1.00 0.00 C ATOM 661 CD ARG A 40 -4.750 -2.242 -13.739 1.00 0.00 C ATOM 662 NE ARG A 40 -5.836 -2.584 -12.825 1.00 0.00 N ATOM 663 CZ ARG A 40 -6.840 -1.764 -12.528 1.00 0.00 C ATOM 664 NH1 ARG A 40 -6.894 -0.552 -13.067 1.00 0.00 N ATOM 665 NH2 ARG A 40 -7.792 -2.155 -11.692 1.00 0.00 N ATOM 0 H ARG A 40 -2.526 -6.034 -14.462 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.004 -6.313 -15.992 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.516 -3.900 -15.699 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.685 -4.812 -14.212 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.535 -3.979 -13.396 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.222 -3.179 -14.923 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.047 -1.579 -13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.152 -1.692 -14.590 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.824 -3.506 -12.389 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.164 -0.247 -13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.665 0.074 -12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.755 -3.086 -11.276 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.562 -1.525 -11.465 1.00 0.00 H new ATOM 679 N ASP A 41 -2.173 -4.685 -16.386 1.00 0.00 N ATOM 680 CA ASP A 41 -1.236 -4.180 -17.381 1.00 0.00 C ATOM 681 C ASP A 41 0.204 -4.496 -16.993 1.00 0.00 C ATOM 682 O ASP A 41 0.629 -4.234 -15.868 1.00 0.00 O ATOM 683 CB ASP A 41 -1.421 -2.672 -17.546 1.00 0.00 C ATOM 684 CG ASP A 41 -2.664 -2.325 -18.341 1.00 0.00 C ATOM 685 OD1 ASP A 41 -2.568 -2.230 -19.583 1.00 0.00 O ATOM 686 OD2 ASP A 41 -3.735 -2.150 -17.721 1.00 0.00 O ATOM 0 H ASP A 41 -1.829 -4.648 -15.426 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.442 -4.675 -18.330 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.481 -2.206 -16.562 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.546 -2.254 -18.044 1.00 0.00 H new ATOM 691 N SER A 42 0.947 -5.065 -17.937 1.00 0.00 N ATOM 692 CA SER A 42 2.342 -5.424 -17.708 1.00 0.00 C ATOM 693 C SER A 42 3.304 -4.310 -18.138 1.00 0.00 C ATOM 694 O SER A 42 4.254 -4.005 -17.418 1.00 0.00 O ATOM 695 CB SER A 42 2.687 -6.719 -18.447 1.00 0.00 C ATOM 696 OG SER A 42 4.041 -7.080 -18.235 1.00 0.00 O ATOM 0 H SER A 42 0.604 -5.288 -18.871 1.00 0.00 H new ATOM 0 HA SER A 42 2.463 -5.571 -16.635 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.035 -7.522 -18.104 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.503 -6.593 -19.514 1.00 0.00 H new ATOM 0 HG SER A 42 4.237 -7.911 -18.716 1.00 0.00 H new ATOM 702 N PRO A 43 3.084 -3.682 -19.315 1.00 0.00 N ATOM 703 CA PRO A 43 3.963 -2.616 -19.803 1.00 0.00 C ATOM 704 C PRO A 43 3.740 -1.295 -19.075 1.00 0.00 C ATOM 705 O PRO A 43 4.695 -0.604 -18.720 1.00 0.00 O ATOM 706 CB PRO A 43 3.586 -2.494 -21.279 1.00 0.00 C ATOM 707 CG PRO A 43 2.165 -2.931 -21.348 1.00 0.00 C ATOM 708 CD PRO A 43 1.969 -3.944 -20.249 1.00 0.00 C ATOM 0 HA PRO A 43 5.015 -2.848 -19.638 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.702 -1.470 -21.633 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.223 -3.121 -21.903 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.493 -2.083 -21.217 1.00 0.00 H new ATOM 0 HG3 PRO A 43 1.941 -3.368 -22.321 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.002 -3.820 -19.761 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.003 -4.963 -20.635 1.00 0.00 H new ATOM 716 N ILE A 44 2.477 -0.946 -18.859 1.00 0.00 N ATOM 717 CA ILE A 44 2.136 0.292 -18.166 1.00 0.00 C ATOM 718 C ILE A 44 1.660 0.003 -16.745 1.00 0.00 C ATOM 719 O ILE A 44 0.652 -0.672 -16.539 1.00 0.00 O ATOM 720 CB ILE A 44 1.053 1.088 -18.928 1.00 0.00 C ATOM 721 CG1 ILE A 44 0.635 2.326 -18.127 1.00 0.00 C ATOM 722 CG2 ILE A 44 -0.153 0.208 -19.229 1.00 0.00 C ATOM 723 CD1 ILE A 44 -0.275 3.264 -18.890 1.00 0.00 C ATOM 0 H ILE A 44 1.673 -1.501 -19.153 1.00 0.00 H new ATOM 0 HA ILE A 44 3.041 0.899 -18.123 1.00 0.00 H new ATOM 0 HB ILE A 44 1.475 1.419 -19.877 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.130 2.005 -17.216 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.529 2.869 -17.822 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.903 0.789 -19.766 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.158 -0.638 -19.842 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.578 -0.158 -18.295 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.529 4.117 -18.260 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.234 3.615 -19.788 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.186 2.737 -19.172 1.00 0.00 H new ATOM 735 N GLN A 45 2.400 0.512 -15.766 1.00 0.00 N ATOM 736 CA GLN A 45 2.060 0.305 -14.364 1.00 0.00 C ATOM 737 C GLN A 45 0.970 1.271 -13.914 1.00 0.00 C ATOM 738 O GLN A 45 -0.060 0.854 -13.383 1.00 0.00 O ATOM 739 CB GLN A 45 3.301 0.477 -13.485 1.00 0.00 C ATOM 740 CG GLN A 45 4.401 -0.530 -13.782 1.00 0.00 C ATOM 741 CD GLN A 45 5.626 -0.331 -12.910 1.00 0.00 C ATOM 742 OE1 GLN A 45 6.749 -0.618 -13.325 1.00 0.00 O ATOM 743 NE2 GLN A 45 5.418 0.163 -11.694 1.00 0.00 N ATOM 0 H GLN A 45 3.239 1.071 -15.918 1.00 0.00 H new ATOM 0 HA GLN A 45 1.683 -0.712 -14.258 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.695 1.484 -13.621 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.010 0.387 -12.438 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.015 -1.538 -13.634 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.689 -0.449 -14.830 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.471 0.387 -11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.206 0.318 -11.065 1.00 0.00 H new ATOM 752 N CYS A 46 1.201 2.563 -14.127 1.00 0.00 N ATOM 753 CA CYS A 46 0.236 3.584 -13.737 1.00 0.00 C ATOM 754 C CYS A 46 0.028 4.600 -14.856 1.00 0.00 C ATOM 755 O CYS A 46 -0.979 4.557 -15.565 1.00 0.00 O ATOM 756 CB CYS A 46 0.702 4.294 -12.465 1.00 0.00 C ATOM 757 SG CYS A 46 -0.536 5.421 -11.747 1.00 0.00 S ATOM 0 H CYS A 46 2.046 2.927 -14.567 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.716 3.091 -13.543 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.970 3.544 -11.721 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.607 4.860 -12.688 1.00 0.00 H new ATOM 762 N ILE A 47 0.983 5.513 -15.010 1.00 0.00 N ATOM 763 CA ILE A 47 0.899 6.540 -16.042 1.00 0.00 C ATOM 764 C ILE A 47 1.850 6.242 -17.200 1.00 0.00 C ATOM 765 O ILE A 47 1.420 5.826 -18.276 1.00 0.00 O ATOM 766 CB ILE A 47 1.220 7.938 -15.475 1.00 0.00 C ATOM 767 CG1 ILE A 47 0.267 8.278 -14.325 1.00 0.00 C ATOM 768 CG2 ILE A 47 1.131 8.989 -16.573 1.00 0.00 C ATOM 769 CD1 ILE A 47 0.565 9.604 -13.656 1.00 0.00 C ATOM 0 H ILE A 47 1.823 5.562 -14.433 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.127 6.532 -16.409 1.00 0.00 H new ATOM 0 HB ILE A 47 2.239 7.931 -15.088 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.755 8.295 -14.705 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.316 7.486 -13.578 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.360 9.970 -16.157 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.846 8.753 -17.361 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.123 8.997 -16.988 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.151 9.775 -12.852 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.574 9.585 -13.245 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.487 10.407 -14.389 1.00 0.00 H new ATOM 781 N GLN A 48 3.142 6.458 -16.970 1.00 0.00 N ATOM 782 CA GLN A 48 4.153 6.217 -17.996 1.00 0.00 C ATOM 783 C GLN A 48 5.302 5.378 -17.449 1.00 0.00 C ATOM 784 O GLN A 48 5.206 4.808 -16.364 1.00 0.00 O ATOM 785 CB GLN A 48 4.690 7.547 -18.532 1.00 0.00 C ATOM 786 CG GLN A 48 3.684 8.321 -19.369 1.00 0.00 C ATOM 787 CD GLN A 48 3.664 7.887 -20.825 1.00 0.00 C ATOM 788 OE1 GLN A 48 3.366 8.686 -21.715 1.00 0.00 O ATOM 789 NE2 GLN A 48 3.982 6.622 -21.079 1.00 0.00 N ATOM 0 H GLN A 48 3.514 6.799 -16.083 1.00 0.00 H new ATOM 0 HA GLN A 48 3.682 5.665 -18.809 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.003 8.167 -17.692 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.578 7.354 -19.134 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.689 8.191 -18.943 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.917 9.384 -19.316 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.223 5.993 -20.313 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.985 6.280 -22.040 1.00 0.00 H new ATOM 798 N ALA A 49 6.388 5.305 -18.215 1.00 0.00 N ATOM 799 CA ALA A 49 7.560 4.539 -17.812 1.00 0.00 C ATOM 800 C ALA A 49 8.537 5.404 -17.022 1.00 0.00 C ATOM 801 O ALA A 49 8.447 5.412 -15.777 1.00 0.00 O ATOM 802 CB ALA A 49 8.247 3.947 -19.033 1.00 0.00 C ATOM 803 OXT ALA A 49 9.385 6.068 -17.656 1.00 0.00 O ATOM 0 H ALA A 49 6.479 5.768 -19.119 1.00 0.00 H new ATOM 0 HA ALA A 49 7.228 3.728 -17.164 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.121 3.377 -18.718 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.554 3.289 -19.557 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.559 4.750 -19.700 1.00 0.00 H new TER 809 ALA A 49