USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.638 K(o=1.8,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -172:sc= 1.21 (180deg=-0.117) USER MOD Set 2.1: A 5 HIS : no HE2:sc= 1.29 K(o=1.7,f=-4.9!) USER MOD Set 2.2: A 6 SER OG : rot -120:sc= 0.262 USER MOD Set 2.3: A 8 SER OG : rot 180:sc= 0.0975 USER MOD Set 2.4: A 81 SER OG : rot -150:sc= 0.00415 USER MOD Single : A 4 LYS NZ :NH3+ -117:sc= 0.328 (180deg=-0.0529) USER MOD Single : A 10 TYR OH : rot 100:sc= 0 USER MOD Single : A 11 THR OG1 : rot -160:sc= -1.6! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 34 ASN : amide:sc=-0.00235 K(o=-0.0024,f=-0.69) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 0.717 (180deg=0.513) USER MOD Single : A 44 THR OG1 : rot -159:sc= -0.707 USER MOD Single : A 46 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-7.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00228 USER MOD Single : A 54 TYR OH : rot 38:sc= 1.08 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.717 USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0298) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -0.518 (180deg=-1.48!) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0.951 (180deg=0.769) USER MOD Single : A 85 GLN :FLIP amide:sc= -2.13! C(o=-2.7!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 11.564 7.224 -10.294 1.00 0.00 N ATOM 2 CA GLU A 2 11.602 8.544 -9.670 1.00 0.00 C ATOM 3 C GLU A 2 11.263 8.395 -8.196 1.00 0.00 C ATOM 4 O GLU A 2 11.020 7.279 -7.728 1.00 0.00 O ATOM 5 CB GLU A 2 10.613 9.530 -10.353 1.00 0.00 C ATOM 6 CG GLU A 2 9.121 9.209 -10.167 1.00 0.00 C ATOM 7 CD GLU A 2 8.701 7.929 -10.830 1.00 0.00 C ATOM 8 OE1 GLU A 2 8.941 6.857 -10.262 1.00 0.00 O ATOM 9 OE2 GLU A 2 8.164 7.969 -11.945 1.00 0.00 O ATOM 0 HA GLU A 2 12.603 8.960 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.802 10.532 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.831 9.554 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.900 9.147 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.527 10.030 -10.569 1.00 0.00 H new ATOM 16 N LEU A 3 11.238 9.492 -7.473 1.00 0.00 N ATOM 17 CA LEU A 3 10.939 9.459 -6.059 1.00 0.00 C ATOM 18 C LEU A 3 9.738 10.305 -5.694 1.00 0.00 C ATOM 19 O LEU A 3 9.311 11.196 -6.448 1.00 0.00 O ATOM 20 CB LEU A 3 12.150 9.863 -5.218 1.00 0.00 C ATOM 21 CG LEU A 3 13.265 8.828 -5.096 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.473 9.445 -4.425 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.777 7.627 -4.289 1.00 0.00 C ATOM 0 H LEU A 3 11.422 10.424 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 3 10.687 8.423 -5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.573 10.773 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.802 10.111 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 3 13.547 8.493 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.264 8.699 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.829 10.287 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.198 9.794 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.579 6.894 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.481 7.954 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.922 7.175 -4.791 1.00 0.00 H new ATOM 35 N LYS A 4 9.197 10.002 -4.555 1.00 0.00 N ATOM 36 CA LYS A 4 8.073 10.694 -3.989 1.00 0.00 C ATOM 37 C LYS A 4 8.557 11.646 -2.899 1.00 0.00 C ATOM 38 O LYS A 4 9.763 11.793 -2.677 1.00 0.00 O ATOM 39 CB LYS A 4 7.200 9.665 -3.310 1.00 0.00 C ATOM 40 CG LYS A 4 7.940 9.006 -2.153 1.00 0.00 C ATOM 41 CD LYS A 4 7.177 7.906 -1.534 1.00 0.00 C ATOM 42 CE LYS A 4 7.901 7.358 -0.336 1.00 0.00 C ATOM 43 NZ LYS A 4 9.165 6.667 -0.676 1.00 0.00 N ATOM 0 H LYS A 4 9.536 9.238 -3.970 1.00 0.00 H new ATOM 0 HA LYS A 4 7.544 11.241 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.290 10.139 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.895 8.907 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.895 8.622 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.163 9.758 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.192 8.264 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.020 7.112 -2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.116 8.174 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.245 6.663 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.096 5.665 -0.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.336 6.740 -1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.952 7.110 -0.161 1.00 0.00 H new ATOM 57 N HIS A 5 7.613 12.263 -2.218 1.00 0.00 N ATOM 58 CA HIS A 5 7.905 13.025 -1.019 1.00 0.00 C ATOM 59 C HIS A 5 6.948 12.567 0.108 1.00 0.00 C ATOM 60 O HIS A 5 7.100 12.963 1.262 1.00 0.00 O ATOM 61 CB HIS A 5 7.766 14.555 -1.267 1.00 0.00 C ATOM 62 CG HIS A 5 6.354 15.023 -1.488 1.00 0.00 C ATOM 63 ND1 HIS A 5 5.640 14.785 -2.626 1.00 0.00 N ATOM 64 CD2 HIS A 5 5.507 15.660 -0.647 1.00 0.00 C ATOM 65 CE1 HIS A 5 4.421 15.247 -2.463 1.00 0.00 C ATOM 66 NE2 HIS A 5 4.274 15.801 -1.271 1.00 0.00 N ATOM 0 H HIS A 5 6.627 12.251 -2.477 1.00 0.00 H new ATOM 0 HA HIS A 5 8.939 12.841 -0.726 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.183 15.088 -0.413 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.366 14.826 -2.136 1.00 0.00 H new ATOM 0 HD1 HIS A 5 5.994 14.325 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.750 16.003 0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.640 15.183 -3.206 1.00 0.00 H new ATOM 74 N SER A 6 5.967 11.717 -0.251 1.00 0.00 N ATOM 75 CA SER A 6 4.936 11.250 0.679 1.00 0.00 C ATOM 76 C SER A 6 4.133 10.134 0.013 1.00 0.00 C ATOM 77 O SER A 6 4.450 9.744 -1.119 1.00 0.00 O ATOM 78 CB SER A 6 3.992 12.413 0.992 1.00 0.00 C ATOM 79 OG SER A 6 3.425 12.915 -0.214 1.00 0.00 O ATOM 0 H SER A 6 5.872 11.339 -1.193 1.00 0.00 H new ATOM 0 HA SER A 6 5.400 10.882 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.202 12.080 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.535 13.206 1.506 1.00 0.00 H new ATOM 0 HG SER A 6 3.671 13.857 -0.324 1.00 0.00 H new ATOM 85 N ILE A 7 3.106 9.622 0.700 1.00 0.00 N ATOM 86 CA ILE A 7 2.202 8.641 0.112 1.00 0.00 C ATOM 87 C ILE A 7 1.316 9.315 -0.929 1.00 0.00 C ATOM 88 O ILE A 7 1.028 8.757 -1.976 1.00 0.00 O ATOM 89 CB ILE A 7 1.285 7.939 1.173 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.455 6.839 0.498 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.382 8.940 1.902 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.409 6.049 1.441 1.00 0.00 C ATOM 0 H ILE A 7 2.884 9.874 1.663 1.00 0.00 H new ATOM 0 HA ILE A 7 2.829 7.875 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 7 1.928 7.487 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.179 7.294 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.130 6.155 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.236 8.411 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.998 9.677 2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.259 9.445 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.961 5.293 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.218 5.562 2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.111 6.718 1.938 1.00 0.00 H new ATOM 104 N SER A 8 0.961 10.553 -0.657 1.00 0.00 N ATOM 105 CA SER A 8 0.056 11.296 -1.468 1.00 0.00 C ATOM 106 C SER A 8 0.762 11.937 -2.667 1.00 0.00 C ATOM 107 O SER A 8 0.193 12.755 -3.396 1.00 0.00 O ATOM 108 CB SER A 8 -0.693 12.275 -0.566 1.00 0.00 C ATOM 109 OG SER A 8 0.160 12.745 0.485 1.00 0.00 O ATOM 0 H SER A 8 1.307 11.069 0.152 1.00 0.00 H new ATOM 0 HA SER A 8 -0.683 10.640 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.052 13.119 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.570 11.787 -0.140 1.00 0.00 H new ATOM 0 HG SER A 8 -0.335 13.372 1.052 1.00 0.00 H new ATOM 115 N ASP A 9 2.020 11.564 -2.840 1.00 0.00 N ATOM 116 CA ASP A 9 2.781 11.893 -4.033 1.00 0.00 C ATOM 117 C ASP A 9 2.403 10.872 -5.100 1.00 0.00 C ATOM 118 O ASP A 9 2.434 11.141 -6.303 1.00 0.00 O ATOM 119 CB ASP A 9 4.276 11.780 -3.745 1.00 0.00 C ATOM 120 CG ASP A 9 5.161 12.232 -4.897 1.00 0.00 C ATOM 121 OD1 ASP A 9 5.306 11.516 -5.881 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.754 13.320 -4.800 1.00 0.00 O ATOM 0 H ASP A 9 2.544 11.022 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 9 2.563 12.910 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.512 12.375 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.512 10.744 -3.503 1.00 0.00 H new ATOM 127 N TYR A 10 2.025 9.696 -4.631 1.00 0.00 N ATOM 128 CA TYR A 10 1.587 8.630 -5.489 1.00 0.00 C ATOM 129 C TYR A 10 0.120 8.807 -5.771 1.00 0.00 C ATOM 130 O TYR A 10 -0.634 9.282 -4.912 1.00 0.00 O ATOM 131 CB TYR A 10 1.742 7.252 -4.813 1.00 0.00 C ATOM 132 CG TYR A 10 3.146 6.737 -4.591 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.854 6.162 -5.634 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.750 6.771 -3.336 1.00 0.00 C ATOM 135 CE1 TYR A 10 5.117 5.651 -5.445 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.001 6.253 -3.147 1.00 0.00 C ATOM 137 CZ TYR A 10 5.683 5.696 -4.200 1.00 0.00 C ATOM 138 OH TYR A 10 6.942 5.179 -4.001 1.00 0.00 O ATOM 0 H TYR A 10 2.016 9.461 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 10 2.195 8.666 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.242 7.294 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.207 6.519 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.405 6.114 -6.615 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.224 7.212 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.658 5.217 -6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.454 6.282 -2.167 1.00 0.00 H new ATOM 0 HH TYR A 10 7.597 5.908 -3.994 1.00 0.00 H new ATOM 148 N THR A 11 -0.294 8.458 -6.950 1.00 0.00 N ATOM 149 CA THR A 11 -1.688 8.390 -7.235 1.00 0.00 C ATOM 150 C THR A 11 -2.186 7.069 -6.718 1.00 0.00 C ATOM 151 O THR A 11 -1.376 6.224 -6.267 1.00 0.00 O ATOM 152 CB THR A 11 -1.959 8.469 -8.738 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.098 7.560 -9.437 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.767 9.862 -9.252 1.00 0.00 C ATOM 0 H THR A 11 0.317 8.216 -7.730 1.00 0.00 H new ATOM 0 HA THR A 11 -2.195 9.231 -6.762 1.00 0.00 H new ATOM 0 HB THR A 11 -2.998 8.188 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.037 7.825 -10.378 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.967 9.885 -10.323 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.453 10.537 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.741 10.180 -9.068 1.00 0.00 H new ATOM 162 N GLU A 12 -3.474 6.861 -6.788 1.00 0.00 N ATOM 163 CA GLU A 12 -4.048 5.623 -6.354 1.00 0.00 C ATOM 164 C GLU A 12 -3.473 4.485 -7.204 1.00 0.00 C ATOM 165 O GLU A 12 -3.136 3.442 -6.689 1.00 0.00 O ATOM 166 CB GLU A 12 -5.561 5.690 -6.470 1.00 0.00 C ATOM 167 CG GLU A 12 -6.285 4.518 -5.866 1.00 0.00 C ATOM 168 CD GLU A 12 -7.766 4.662 -5.991 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.367 5.469 -5.260 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.380 3.949 -6.785 1.00 0.00 O ATOM 0 H GLU A 12 -4.146 7.540 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.802 5.437 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.910 6.604 -5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.829 5.763 -7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.966 3.599 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.015 4.426 -4.814 1.00 0.00 H new ATOM 177 N ALA A 13 -3.282 4.755 -8.485 1.00 0.00 N ATOM 178 CA ALA A 13 -2.739 3.778 -9.420 1.00 0.00 C ATOM 179 C ALA A 13 -1.266 3.468 -9.133 1.00 0.00 C ATOM 180 O ALA A 13 -0.862 2.302 -9.141 1.00 0.00 O ATOM 181 CB ALA A 13 -2.906 4.258 -10.847 1.00 0.00 C ATOM 0 H ALA A 13 -3.499 5.658 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.302 2.854 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.495 3.516 -11.531 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.965 4.401 -11.061 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.378 5.203 -10.977 1.00 0.00 H new ATOM 187 N GLU A 14 -0.467 4.499 -8.862 1.00 0.00 N ATOM 188 CA GLU A 14 0.969 4.309 -8.582 1.00 0.00 C ATOM 189 C GLU A 14 1.179 3.618 -7.262 1.00 0.00 C ATOM 190 O GLU A 14 2.121 2.833 -7.097 1.00 0.00 O ATOM 191 CB GLU A 14 1.736 5.628 -8.607 1.00 0.00 C ATOM 192 CG GLU A 14 1.696 6.349 -9.935 1.00 0.00 C ATOM 193 CD GLU A 14 2.220 5.509 -11.049 1.00 0.00 C ATOM 194 OE1 GLU A 14 3.444 5.288 -11.112 1.00 0.00 O ATOM 195 OE2 GLU A 14 1.425 5.039 -11.866 1.00 0.00 O ATOM 0 H GLU A 14 -0.779 5.469 -8.829 1.00 0.00 H new ATOM 0 HA GLU A 14 1.362 3.676 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.329 6.285 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.776 5.435 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.670 6.643 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.282 7.265 -9.867 1.00 0.00 H new ATOM 202 N PHE A 15 0.321 3.896 -6.331 1.00 0.00 N ATOM 203 CA PHE A 15 0.374 3.248 -5.059 1.00 0.00 C ATOM 204 C PHE A 15 -0.161 1.853 -5.199 1.00 0.00 C ATOM 205 O PHE A 15 0.263 0.966 -4.533 1.00 0.00 O ATOM 206 CB PHE A 15 -0.364 4.032 -3.999 1.00 0.00 C ATOM 207 CG PHE A 15 -0.188 3.474 -2.630 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.870 3.878 -1.840 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.082 2.551 -2.129 1.00 0.00 C ATOM 210 CE1 PHE A 15 1.030 3.365 -0.578 1.00 0.00 C ATOM 211 CE2 PHE A 15 -0.930 2.046 -0.876 1.00 0.00 C ATOM 212 CZ PHE A 15 0.124 2.448 -0.098 1.00 0.00 C ATOM 0 H PHE A 15 -0.433 4.576 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 15 1.411 3.198 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.016 5.065 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.426 4.051 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.576 4.603 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.912 2.226 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.862 3.679 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.640 1.328 -0.494 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.244 2.043 0.896 1.00 0.00 H new ATOM 222 N LEU A 16 -1.087 1.664 -6.066 1.00 0.00 N ATOM 223 CA LEU A 16 -1.609 0.340 -6.314 1.00 0.00 C ATOM 224 C LEU A 16 -0.539 -0.520 -6.981 1.00 0.00 C ATOM 225 O LEU A 16 -0.563 -1.739 -6.920 1.00 0.00 O ATOM 226 CB LEU A 16 -2.914 0.451 -7.089 1.00 0.00 C ATOM 227 CG LEU A 16 -3.757 -0.770 -7.186 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.218 -0.386 -7.142 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.498 -1.484 -8.443 1.00 0.00 C ATOM 0 H LEU A 16 -1.511 2.403 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.855 -0.172 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.512 1.238 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.678 0.779 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.511 -1.420 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.832 -1.284 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.431 0.126 -6.204 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.445 0.277 -7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.126 -2.374 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.727 -0.832 -9.286 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.449 -1.777 -8.485 1.00 0.00 H new ATOM 241 N GLU A 17 0.389 0.126 -7.585 1.00 0.00 N ATOM 242 CA GLU A 17 1.566 -0.536 -8.045 1.00 0.00 C ATOM 243 C GLU A 17 2.520 -0.875 -6.907 1.00 0.00 C ATOM 244 O GLU A 17 3.366 -1.719 -7.085 1.00 0.00 O ATOM 245 CB GLU A 17 2.306 0.170 -9.156 1.00 0.00 C ATOM 246 CG GLU A 17 1.638 0.093 -10.496 1.00 0.00 C ATOM 247 CD GLU A 17 2.619 0.359 -11.592 1.00 0.00 C ATOM 248 OE1 GLU A 17 3.352 -0.575 -11.976 1.00 0.00 O ATOM 249 OE2 GLU A 17 2.716 1.506 -12.070 1.00 0.00 O ATOM 0 H GLU A 17 0.360 1.127 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 17 1.186 -1.460 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.428 1.219 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.306 -0.257 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.194 -0.893 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.825 0.818 -10.545 1.00 0.00 H new ATOM 256 N PHE A 18 2.384 -0.197 -5.737 1.00 0.00 N ATOM 257 CA PHE A 18 3.255 -0.482 -4.544 1.00 0.00 C ATOM 258 C PHE A 18 3.174 -1.943 -4.266 1.00 0.00 C ATOM 259 O PHE A 18 4.159 -2.652 -4.266 1.00 0.00 O ATOM 260 CB PHE A 18 2.823 0.340 -3.209 1.00 0.00 C ATOM 261 CG PHE A 18 2.026 -0.423 -2.049 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.627 -0.570 -2.064 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.699 -0.976 -0.963 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.048 -1.248 -1.026 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.020 -1.642 0.054 1.00 0.00 C ATOM 266 CZ PHE A 18 0.657 -1.775 0.018 1.00 0.00 C ATOM 0 H PHE A 18 1.695 0.540 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 18 4.268 -0.160 -4.786 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.731 0.751 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.212 1.185 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.059 -0.157 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.774 -0.886 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.123 -1.350 -1.058 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.575 -2.059 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.142 -2.295 0.812 1.00 0.00 H new ATOM 276 N VAL A 19 1.967 -2.376 -4.173 1.00 0.00 N ATOM 277 CA VAL A 19 1.638 -3.707 -3.781 1.00 0.00 C ATOM 278 C VAL A 19 1.958 -4.725 -4.875 1.00 0.00 C ATOM 279 O VAL A 19 2.428 -5.832 -4.600 1.00 0.00 O ATOM 280 CB VAL A 19 0.161 -3.768 -3.316 1.00 0.00 C ATOM 281 CG1 VAL A 19 -0.797 -3.315 -4.385 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.202 -5.108 -2.740 1.00 0.00 C ATOM 0 H VAL A 19 1.152 -1.797 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 19 2.266 -3.986 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 19 0.063 -3.051 -2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.818 -3.377 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.574 -2.284 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.694 -3.955 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.247 -5.099 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.054 -5.881 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.431 -5.317 -1.878 1.00 0.00 H new ATOM 292 N LYS A 20 1.749 -4.331 -6.099 1.00 0.00 N ATOM 293 CA LYS A 20 2.056 -5.172 -7.231 1.00 0.00 C ATOM 294 C LYS A 20 3.563 -5.361 -7.360 1.00 0.00 C ATOM 295 O LYS A 20 4.043 -6.467 -7.614 1.00 0.00 O ATOM 296 CB LYS A 20 1.475 -4.564 -8.478 1.00 0.00 C ATOM 297 CG LYS A 20 -0.003 -4.784 -8.567 1.00 0.00 C ATOM 298 CD LYS A 20 -0.664 -3.734 -9.389 1.00 0.00 C ATOM 299 CE LYS A 20 -2.089 -4.103 -9.726 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.182 -5.032 -10.861 1.00 0.00 N ATOM 0 H LYS A 20 1.362 -3.420 -6.345 1.00 0.00 H new ATOM 0 HA LYS A 20 1.612 -6.156 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.685 -3.494 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.960 -4.996 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.200 -5.764 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.432 -4.787 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.651 -2.787 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.100 -3.583 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.559 -4.555 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.650 -3.197 -9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.181 -5.251 -11.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.759 -4.594 -11.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.672 -5.909 -10.634 1.00 0.00 H new ATOM 314 N LYS A 21 4.293 -4.274 -7.127 1.00 0.00 N ATOM 315 CA LYS A 21 5.746 -4.246 -7.162 1.00 0.00 C ATOM 316 C LYS A 21 6.291 -5.158 -6.084 1.00 0.00 C ATOM 317 O LYS A 21 7.264 -5.854 -6.297 1.00 0.00 O ATOM 318 CB LYS A 21 6.242 -2.807 -6.945 1.00 0.00 C ATOM 319 CG LYS A 21 7.739 -2.589 -7.135 1.00 0.00 C ATOM 320 CD LYS A 21 8.130 -1.131 -6.861 1.00 0.00 C ATOM 321 CE LYS A 21 7.339 -0.158 -7.738 1.00 0.00 C ATOM 322 NZ LYS A 21 7.738 1.250 -7.536 1.00 0.00 N ATOM 0 H LYS A 21 3.878 -3.369 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 21 6.097 -4.594 -8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.708 -2.150 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.974 -2.498 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.292 -3.248 -6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.021 -2.858 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.955 -0.899 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.197 -1.000 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.480 -0.424 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.276 -0.264 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.170 1.864 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.579 1.517 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.746 1.362 -7.768 1.00 0.00 H new ATOM 336 N ILE A 22 5.621 -5.160 -4.941 1.00 0.00 N ATOM 337 CA ILE A 22 5.978 -6.024 -3.829 1.00 0.00 C ATOM 338 C ILE A 22 5.732 -7.490 -4.211 1.00 0.00 C ATOM 339 O ILE A 22 6.599 -8.335 -4.055 1.00 0.00 O ATOM 340 CB ILE A 22 5.179 -5.645 -2.549 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.498 -4.206 -2.152 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.497 -6.589 -1.407 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.774 -3.710 -0.935 1.00 0.00 C ATOM 0 H ILE A 22 4.815 -4.562 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 22 7.037 -5.889 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 22 4.115 -5.732 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.571 -4.122 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.259 -3.552 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.924 -6.300 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.234 -7.607 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.562 -6.540 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.066 -2.679 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.699 -3.755 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.031 -4.334 -0.079 1.00 0.00 H new ATOM 355 N CYS A 23 4.573 -7.755 -4.786 1.00 0.00 N ATOM 356 CA CYS A 23 4.196 -9.098 -5.238 1.00 0.00 C ATOM 357 C CYS A 23 5.242 -9.673 -6.236 1.00 0.00 C ATOM 358 O CYS A 23 5.506 -10.873 -6.263 1.00 0.00 O ATOM 359 CB CYS A 23 2.793 -9.041 -5.878 1.00 0.00 C ATOM 360 SG CYS A 23 2.158 -10.608 -6.520 1.00 0.00 S ATOM 0 H CYS A 23 3.858 -7.048 -4.957 1.00 0.00 H new ATOM 0 HA CYS A 23 4.173 -9.768 -4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.090 -8.663 -5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.815 -8.318 -6.693 1.00 0.00 H new ATOM 0 HG CYS A 23 0.975 -10.422 -7.027 1.00 0.00 H new ATOM 366 N ARG A 24 5.847 -8.803 -7.022 1.00 0.00 N ATOM 367 CA ARG A 24 6.862 -9.197 -7.990 1.00 0.00 C ATOM 368 C ARG A 24 8.295 -8.944 -7.477 1.00 0.00 C ATOM 369 O ARG A 24 9.260 -9.103 -8.215 1.00 0.00 O ATOM 370 CB ARG A 24 6.634 -8.522 -9.338 1.00 0.00 C ATOM 371 CG ARG A 24 6.617 -7.028 -9.292 1.00 0.00 C ATOM 372 CD ARG A 24 6.411 -6.460 -10.659 1.00 0.00 C ATOM 373 NE ARG A 24 6.513 -4.999 -10.658 1.00 0.00 N ATOM 374 CZ ARG A 24 7.591 -4.318 -11.058 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.669 -4.970 -11.495 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.584 -2.986 -11.033 1.00 0.00 N ATOM 0 H ARG A 24 5.651 -7.802 -7.010 1.00 0.00 H new ATOM 0 HA ARG A 24 6.761 -10.273 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.416 -8.842 -10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.686 -8.870 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.822 -6.689 -8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.556 -6.661 -8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.152 -6.876 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.431 -6.756 -11.033 1.00 0.00 H new ATOM 0 HE ARG A 24 5.708 -4.466 -10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.671 -5.990 -11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.491 -4.449 -11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.756 -2.486 -10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.407 -2.466 -11.338 1.00 0.00 H new ATOM 390 N ALA A 25 8.424 -8.567 -6.212 1.00 0.00 N ATOM 391 CA ALA A 25 9.717 -8.155 -5.632 1.00 0.00 C ATOM 392 C ALA A 25 10.673 -9.299 -5.262 1.00 0.00 C ATOM 393 O ALA A 25 11.681 -9.061 -4.593 1.00 0.00 O ATOM 394 CB ALA A 25 9.500 -7.258 -4.431 1.00 0.00 C ATOM 0 H ALA A 25 7.646 -8.534 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 25 10.215 -7.613 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.465 -6.965 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.950 -6.368 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.929 -7.795 -3.674 1.00 0.00 H new ATOM 400 N GLU A 26 10.428 -10.521 -5.713 1.00 0.00 N ATOM 401 CA GLU A 26 11.384 -11.604 -5.439 1.00 0.00 C ATOM 402 C GLU A 26 12.592 -11.569 -6.379 1.00 0.00 C ATOM 403 O GLU A 26 12.951 -12.578 -7.005 1.00 0.00 O ATOM 404 CB GLU A 26 10.771 -12.996 -5.377 1.00 0.00 C ATOM 405 CG GLU A 26 9.883 -13.239 -4.178 1.00 0.00 C ATOM 406 CD GLU A 26 9.639 -14.705 -3.978 1.00 0.00 C ATOM 407 OE1 GLU A 26 10.477 -15.369 -3.329 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.632 -15.246 -4.488 1.00 0.00 O ATOM 0 H GLU A 26 9.606 -10.791 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 26 11.735 -11.398 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.189 -13.163 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.574 -13.733 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.348 -12.819 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.932 -12.724 -4.315 1.00 0.00 H new ATOM 415 N GLY A 27 13.168 -10.392 -6.504 1.00 0.00 N ATOM 416 CA GLY A 27 14.341 -10.186 -7.294 1.00 0.00 C ATOM 417 C GLY A 27 15.514 -10.878 -6.679 1.00 0.00 C ATOM 418 O GLY A 27 16.147 -11.727 -7.296 1.00 0.00 O ATOM 0 H GLY A 27 12.822 -9.547 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 27 14.177 -10.563 -8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 27 14.545 -9.119 -7.381 1.00 0.00 H new ATOM 422 N ALA A 28 15.794 -10.519 -5.462 1.00 0.00 N ATOM 423 CA ALA A 28 16.853 -11.139 -4.728 1.00 0.00 C ATOM 424 C ALA A 28 16.280 -12.193 -3.797 1.00 0.00 C ATOM 425 O ALA A 28 16.457 -13.383 -4.009 1.00 0.00 O ATOM 426 CB ALA A 28 17.630 -10.097 -3.945 1.00 0.00 C ATOM 0 H ALA A 28 15.295 -9.790 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 28 17.539 -11.621 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.433 -10.583 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 28 18.054 -9.366 -4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.961 -9.593 -3.247 1.00 0.00 H new ATOM 432 N THR A 29 15.545 -11.740 -2.808 1.00 0.00 N ATOM 433 CA THR A 29 14.959 -12.596 -1.791 1.00 0.00 C ATOM 434 C THR A 29 13.721 -11.922 -1.200 1.00 0.00 C ATOM 435 O THR A 29 13.431 -10.767 -1.532 1.00 0.00 O ATOM 436 CB THR A 29 15.985 -12.893 -0.653 1.00 0.00 C ATOM 437 OG1 THR A 29 16.776 -11.718 -0.378 1.00 0.00 O ATOM 438 CG2 THR A 29 16.888 -14.082 -0.978 1.00 0.00 C ATOM 0 H THR A 29 15.331 -10.751 -2.681 1.00 0.00 H new ATOM 0 HA THR A 29 14.677 -13.540 -2.258 1.00 0.00 H new ATOM 0 HB THR A 29 15.415 -13.161 0.236 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.415 -11.914 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.583 -14.247 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.278 -14.974 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 29 17.448 -13.875 -1.890 1.00 0.00 H new ATOM 446 N GLU A 30 13.024 -12.630 -0.314 1.00 0.00 N ATOM 447 CA GLU A 30 11.806 -12.143 0.375 1.00 0.00 C ATOM 448 C GLU A 30 12.035 -10.814 1.120 1.00 0.00 C ATOM 449 O GLU A 30 11.110 -10.048 1.335 1.00 0.00 O ATOM 450 CB GLU A 30 11.329 -13.210 1.360 1.00 0.00 C ATOM 451 CG GLU A 30 12.367 -13.559 2.414 1.00 0.00 C ATOM 452 CD GLU A 30 11.947 -14.690 3.301 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.944 -15.843 2.835 1.00 0.00 O ATOM 454 OE2 GLU A 30 11.642 -14.452 4.480 1.00 0.00 O ATOM 0 H GLU A 30 13.286 -13.578 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 30 11.049 -11.954 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.423 -12.860 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.063 -14.112 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.303 -13.821 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.564 -12.679 3.026 1.00 0.00 H new ATOM 461 N GLU A 31 13.261 -10.545 1.494 1.00 0.00 N ATOM 462 CA GLU A 31 13.579 -9.326 2.204 1.00 0.00 C ATOM 463 C GLU A 31 13.539 -8.108 1.286 1.00 0.00 C ATOM 464 O GLU A 31 13.373 -6.990 1.747 1.00 0.00 O ATOM 465 CB GLU A 31 14.904 -9.455 2.928 1.00 0.00 C ATOM 466 CG GLU A 31 16.045 -9.880 2.044 1.00 0.00 C ATOM 467 CD GLU A 31 17.298 -10.102 2.817 1.00 0.00 C ATOM 468 OE1 GLU A 31 18.073 -9.152 2.996 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.529 -11.249 3.275 1.00 0.00 O ATOM 0 H GLU A 31 14.060 -11.155 1.319 1.00 0.00 H new ATOM 0 HA GLU A 31 12.808 -9.167 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.150 -8.498 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.796 -10.178 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.775 -10.797 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.218 -9.118 1.284 1.00 0.00 H new ATOM 476 N ASP A 32 13.652 -8.339 -0.025 1.00 0.00 N ATOM 477 CA ASP A 32 13.554 -7.244 -1.003 1.00 0.00 C ATOM 478 C ASP A 32 12.109 -6.781 -1.030 1.00 0.00 C ATOM 479 O ASP A 32 11.809 -5.586 -1.031 1.00 0.00 O ATOM 480 CB ASP A 32 14.003 -7.690 -2.409 1.00 0.00 C ATOM 481 CG ASP A 32 14.101 -6.530 -3.377 1.00 0.00 C ATOM 482 OD1 ASP A 32 13.124 -6.185 -4.019 1.00 0.00 O ATOM 483 OD2 ASP A 32 15.203 -5.935 -3.495 1.00 0.00 O ATOM 0 H ASP A 32 13.809 -9.260 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 32 14.217 -6.431 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.972 -8.184 -2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.298 -8.425 -2.797 1.00 0.00 H new ATOM 488 N ASP A 33 11.242 -7.770 -0.978 1.00 0.00 N ATOM 489 CA ASP A 33 9.791 -7.617 -0.872 1.00 0.00 C ATOM 490 C ASP A 33 9.445 -6.849 0.410 1.00 0.00 C ATOM 491 O ASP A 33 8.802 -5.789 0.377 1.00 0.00 O ATOM 492 CB ASP A 33 9.182 -9.045 -0.849 1.00 0.00 C ATOM 493 CG ASP A 33 7.713 -9.147 -0.472 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.390 -9.090 0.735 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.879 -9.395 -1.351 1.00 0.00 O ATOM 0 H ASP A 33 11.533 -8.747 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 33 9.387 -7.052 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.313 -9.488 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.757 -9.651 -0.149 1.00 0.00 H new ATOM 500 N ASN A 34 9.953 -7.352 1.515 1.00 0.00 N ATOM 501 CA ASN A 34 9.701 -6.806 2.838 1.00 0.00 C ATOM 502 C ASN A 34 10.206 -5.367 3.002 1.00 0.00 C ATOM 503 O ASN A 34 9.499 -4.524 3.566 1.00 0.00 O ATOM 504 CB ASN A 34 10.298 -7.739 3.882 1.00 0.00 C ATOM 505 CG ASN A 34 10.190 -7.260 5.315 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.257 -6.550 5.702 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.133 -7.666 6.116 1.00 0.00 N ATOM 0 H ASN A 34 10.565 -8.168 1.522 1.00 0.00 H new ATOM 0 HA ASN A 34 8.622 -6.745 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.807 -8.709 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.351 -7.895 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.117 -7.398 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.888 -8.252 5.759 1.00 0.00 H new ATOM 514 N LYS A 35 11.397 -5.051 2.485 1.00 0.00 N ATOM 515 CA LYS A 35 11.898 -3.682 2.621 1.00 0.00 C ATOM 516 C LYS A 35 11.044 -2.678 1.847 1.00 0.00 C ATOM 517 O LYS A 35 11.038 -1.484 2.170 1.00 0.00 O ATOM 518 CB LYS A 35 13.399 -3.521 2.303 1.00 0.00 C ATOM 519 CG LYS A 35 13.832 -3.939 0.914 1.00 0.00 C ATOM 520 CD LYS A 35 15.308 -3.630 0.692 1.00 0.00 C ATOM 521 CE LYS A 35 15.823 -4.219 -0.610 1.00 0.00 C ATOM 522 NZ LYS A 35 15.085 -3.737 -1.794 1.00 0.00 N ATOM 0 H LYS A 35 12.011 -5.696 1.987 1.00 0.00 H new ATOM 0 HA LYS A 35 11.803 -3.453 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.670 -2.475 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.968 -4.101 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.655 -5.006 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.231 -3.419 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.455 -2.550 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.890 -4.025 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.879 -3.972 -0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.753 -5.306 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.245 -4.386 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.069 -3.699 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.421 -2.786 -2.049 1.00 0.00 H new ATOM 536 N LEU A 36 10.334 -3.138 0.831 1.00 0.00 N ATOM 537 CA LEU A 36 9.375 -2.279 0.156 1.00 0.00 C ATOM 538 C LEU A 36 8.206 -2.042 1.077 1.00 0.00 C ATOM 539 O LEU A 36 7.851 -0.898 1.364 1.00 0.00 O ATOM 540 CB LEU A 36 8.889 -2.879 -1.166 1.00 0.00 C ATOM 541 CG LEU A 36 9.873 -2.870 -2.326 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.285 -3.619 -3.511 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.202 -1.435 -2.734 1.00 0.00 C ATOM 0 H LEU A 36 10.401 -4.086 0.460 1.00 0.00 H new ATOM 0 HA LEU A 36 9.869 -1.338 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.591 -3.911 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.994 -2.339 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 36 10.791 -3.364 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.996 -3.608 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.079 -4.650 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.359 -3.137 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.907 -1.446 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.288 -0.925 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.645 -0.909 -1.889 1.00 0.00 H new ATOM 555 N VAL A 37 7.667 -3.135 1.598 1.00 0.00 N ATOM 556 CA VAL A 37 6.524 -3.112 2.506 1.00 0.00 C ATOM 557 C VAL A 37 6.759 -2.134 3.659 1.00 0.00 C ATOM 558 O VAL A 37 5.920 -1.296 3.948 1.00 0.00 O ATOM 559 CB VAL A 37 6.245 -4.520 3.114 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.047 -4.457 4.031 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.005 -5.553 2.036 1.00 0.00 C ATOM 0 H VAL A 37 8.013 -4.074 1.401 1.00 0.00 H new ATOM 0 HA VAL A 37 5.665 -2.795 1.915 1.00 0.00 H new ATOM 0 HB VAL A 37 7.127 -4.819 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.859 -5.445 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.243 -3.750 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.174 -4.130 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.814 -6.522 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.143 -5.260 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.885 -5.623 1.396 1.00 0.00 H new ATOM 571 N ARG A 38 7.925 -2.222 4.263 1.00 0.00 N ATOM 572 CA ARG A 38 8.248 -1.424 5.428 1.00 0.00 C ATOM 573 C ARG A 38 8.292 0.089 5.171 1.00 0.00 C ATOM 574 O ARG A 38 8.022 0.874 6.088 1.00 0.00 O ATOM 575 CB ARG A 38 9.505 -1.925 6.110 1.00 0.00 C ATOM 576 CG ARG A 38 9.332 -3.347 6.587 1.00 0.00 C ATOM 577 CD ARG A 38 10.479 -3.831 7.417 1.00 0.00 C ATOM 578 NE ARG A 38 10.600 -3.114 8.698 1.00 0.00 N ATOM 579 CZ ARG A 38 10.938 -3.678 9.871 1.00 0.00 C ATOM 580 NH1 ARG A 38 11.156 -4.988 9.960 1.00 0.00 N ATOM 581 NH2 ARG A 38 11.053 -2.921 10.956 1.00 0.00 N ATOM 0 H ARG A 38 8.674 -2.846 3.962 1.00 0.00 H new ATOM 0 HA ARG A 38 7.412 -1.561 6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.345 -1.870 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.746 -1.281 6.956 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.414 -3.419 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.214 -4.002 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.356 -4.896 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.404 -3.715 6.852 1.00 0.00 H new ATOM 0 HE ARG A 38 10.413 -2.111 8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.067 -5.577 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.412 -5.403 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.885 -1.917 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.309 -3.344 11.848 1.00 0.00 H new ATOM 595 N GLU A 39 8.604 0.515 3.937 1.00 0.00 N ATOM 596 CA GLU A 39 8.604 1.950 3.665 1.00 0.00 C ATOM 597 C GLU A 39 7.186 2.400 3.360 1.00 0.00 C ATOM 598 O GLU A 39 6.727 3.426 3.856 1.00 0.00 O ATOM 599 CB GLU A 39 9.575 2.388 2.530 1.00 0.00 C ATOM 600 CG GLU A 39 9.184 1.983 1.113 1.00 0.00 C ATOM 601 CD GLU A 39 10.034 2.660 0.070 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.177 2.213 -0.159 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.585 3.657 -0.557 1.00 0.00 O ATOM 0 H GLU A 39 8.848 -0.085 3.149 1.00 0.00 H new ATOM 0 HA GLU A 39 8.979 2.439 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.671 3.473 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.561 1.975 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.276 0.902 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.137 2.232 0.942 1.00 0.00 H new ATOM 610 N PHE A 40 6.471 1.587 2.585 1.00 0.00 N ATOM 611 CA PHE A 40 5.113 1.899 2.197 1.00 0.00 C ATOM 612 C PHE A 40 4.197 1.931 3.402 1.00 0.00 C ATOM 613 O PHE A 40 3.329 2.792 3.508 1.00 0.00 O ATOM 614 CB PHE A 40 4.596 0.936 1.129 1.00 0.00 C ATOM 615 CG PHE A 40 5.246 1.093 -0.235 1.00 0.00 C ATOM 616 CD1 PHE A 40 5.056 2.246 -0.983 1.00 0.00 C ATOM 617 CD2 PHE A 40 6.024 0.084 -0.770 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.633 2.382 -2.233 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.598 0.212 -2.018 1.00 0.00 C ATOM 620 CZ PHE A 40 6.406 1.360 -2.750 1.00 0.00 C ATOM 0 H PHE A 40 6.820 0.703 2.215 1.00 0.00 H new ATOM 0 HA PHE A 40 5.118 2.896 1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.751 -0.086 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.520 1.077 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.451 3.047 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.185 -0.820 -0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.479 3.286 -2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.199 -0.590 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.858 1.463 -3.726 1.00 0.00 H new ATOM 630 N GLU A 41 4.443 1.038 4.332 1.00 0.00 N ATOM 631 CA GLU A 41 3.699 0.983 5.560 1.00 0.00 C ATOM 632 C GLU A 41 3.968 2.140 6.497 1.00 0.00 C ATOM 633 O GLU A 41 3.200 2.397 7.417 1.00 0.00 O ATOM 634 CB GLU A 41 3.793 -0.380 6.222 1.00 0.00 C ATOM 635 CG GLU A 41 2.802 -1.315 5.581 1.00 0.00 C ATOM 636 CD GLU A 41 1.451 -0.686 5.663 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.966 -0.538 6.799 1.00 0.00 O ATOM 638 OE2 GLU A 41 0.879 -0.298 4.636 1.00 0.00 O ATOM 0 H GLU A 41 5.170 0.327 4.254 1.00 0.00 H new ATOM 0 HA GLU A 41 2.653 1.114 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.803 -0.777 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.590 -0.293 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.072 -1.502 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.804 -2.279 6.089 1.00 0.00 H new ATOM 645 N ARG A 42 5.038 2.849 6.266 1.00 0.00 N ATOM 646 CA ARG A 42 5.335 4.028 7.054 1.00 0.00 C ATOM 647 C ARG A 42 4.568 5.188 6.461 1.00 0.00 C ATOM 648 O ARG A 42 4.165 6.114 7.155 1.00 0.00 O ATOM 649 CB ARG A 42 6.823 4.315 6.991 1.00 0.00 C ATOM 650 CG ARG A 42 7.329 5.312 8.012 1.00 0.00 C ATOM 651 CD ARG A 42 7.174 4.760 9.411 1.00 0.00 C ATOM 652 NE ARG A 42 7.742 5.634 10.431 1.00 0.00 N ATOM 653 CZ ARG A 42 8.743 5.291 11.246 1.00 0.00 C ATOM 654 NH1 ARG A 42 9.416 4.148 11.052 1.00 0.00 N ATOM 655 NH2 ARG A 42 9.092 6.098 12.242 1.00 0.00 N ATOM 0 H ARG A 42 5.723 2.637 5.540 1.00 0.00 H new ATOM 0 HA ARG A 42 5.049 3.876 8.095 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.364 3.378 7.122 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.064 4.685 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.377 5.540 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.777 6.248 7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.115 4.606 9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.656 3.784 9.467 1.00 0.00 H new ATOM 0 HE ARG A 42 7.348 6.570 10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.165 3.533 10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.179 3.893 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.596 6.978 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.856 5.838 12.865 1.00 0.00 H new ATOM 669 N LEU A 43 4.371 5.110 5.178 1.00 0.00 N ATOM 670 CA LEU A 43 3.649 6.115 4.436 1.00 0.00 C ATOM 671 C LEU A 43 2.159 6.031 4.768 1.00 0.00 C ATOM 672 O LEU A 43 1.505 7.048 4.998 1.00 0.00 O ATOM 673 CB LEU A 43 3.840 5.893 2.939 1.00 0.00 C ATOM 674 CG LEU A 43 5.264 5.750 2.435 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.238 5.418 0.957 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.046 7.033 2.677 1.00 0.00 C ATOM 0 H LEU A 43 4.710 4.338 4.604 1.00 0.00 H new ATOM 0 HA LEU A 43 4.032 7.098 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.290 4.995 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.377 6.728 2.412 1.00 0.00 H new ATOM 0 HG LEU A 43 5.759 4.945 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.259 5.314 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.700 4.482 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.736 6.218 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.065 6.913 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.565 7.857 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.069 7.249 3.745 1.00 0.00 H new ATOM 688 N THR A 44 1.641 4.817 4.794 1.00 0.00 N ATOM 689 CA THR A 44 0.248 4.563 5.091 1.00 0.00 C ATOM 690 C THR A 44 -0.026 4.705 6.568 1.00 0.00 C ATOM 691 O THR A 44 -1.049 5.300 6.968 1.00 0.00 O ATOM 692 CB THR A 44 -0.116 3.136 4.664 1.00 0.00 C ATOM 693 OG1 THR A 44 0.798 2.240 5.274 1.00 0.00 O ATOM 694 CG2 THR A 44 -0.013 3.006 3.183 1.00 0.00 C ATOM 0 H THR A 44 2.183 3.973 4.607 1.00 0.00 H new ATOM 0 HA THR A 44 -0.351 5.292 4.545 1.00 0.00 H new ATOM 0 HB THR A 44 -1.137 2.909 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.808 1.395 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.273 1.989 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.698 3.708 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.007 3.225 2.869 1.00 0.00 H new ATOM 702 N GLU A 45 0.912 4.161 7.375 1.00 0.00 N ATOM 703 CA GLU A 45 0.793 4.045 8.825 1.00 0.00 C ATOM 704 C GLU A 45 -0.372 3.107 9.107 1.00 0.00 C ATOM 705 O GLU A 45 -0.992 3.130 10.188 1.00 0.00 O ATOM 706 CB GLU A 45 0.570 5.403 9.489 1.00 0.00 C ATOM 707 CG GLU A 45 1.650 6.422 9.237 1.00 0.00 C ATOM 708 CD GLU A 45 1.372 7.721 9.942 1.00 0.00 C ATOM 709 OE1 GLU A 45 0.573 8.536 9.433 1.00 0.00 O ATOM 710 OE2 GLU A 45 1.924 7.943 11.042 1.00 0.00 O ATOM 0 H GLU A 45 1.790 3.785 7.016 1.00 0.00 H new ATOM 0 HA GLU A 45 1.720 3.652 9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.380 5.809 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.477 5.253 10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.608 6.025 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.736 6.602 8.165 1.00 0.00 H new ATOM 717 N HIS A 46 -0.626 2.237 8.137 1.00 0.00 N ATOM 718 CA HIS A 46 -1.738 1.364 8.186 1.00 0.00 C ATOM 719 C HIS A 46 -1.454 0.195 9.166 1.00 0.00 C ATOM 720 O HIS A 46 -0.413 -0.409 9.142 1.00 0.00 O ATOM 721 CB HIS A 46 -2.150 0.897 6.753 1.00 0.00 C ATOM 722 CG HIS A 46 -3.454 0.163 6.735 1.00 0.00 C ATOM 723 ND1 HIS A 46 -3.605 -1.111 7.205 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.698 0.619 6.493 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.903 -1.369 7.286 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.616 -0.360 6.850 1.00 0.00 N ATOM 0 H HIS A 46 -0.050 2.135 7.301 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.603 1.898 8.579 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.218 1.766 6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.370 0.253 6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.942 1.589 6.087 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.319 -2.292 7.663 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.633 -0.305 6.786 1.00 0.00 H new ATOM 734 N PRO A 47 -2.397 -0.095 10.043 1.00 0.00 N ATOM 735 CA PRO A 47 -2.251 -1.089 11.112 1.00 0.00 C ATOM 736 C PRO A 47 -1.996 -2.478 10.634 1.00 0.00 C ATOM 737 O PRO A 47 -1.151 -3.193 11.165 1.00 0.00 O ATOM 738 CB PRO A 47 -3.597 -1.056 11.802 1.00 0.00 C ATOM 739 CG PRO A 47 -4.513 -0.302 10.930 1.00 0.00 C ATOM 740 CD PRO A 47 -3.685 0.552 10.088 1.00 0.00 C ATOM 0 HA PRO A 47 -1.391 -0.845 11.736 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.969 -2.067 11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.517 -0.580 12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.113 -0.979 10.322 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.207 0.295 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.110 0.652 9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.607 1.557 10.503 1.00 0.00 H new ATOM 748 N ASP A 48 -2.700 -2.840 9.623 1.00 0.00 N ATOM 749 CA ASP A 48 -2.669 -4.168 9.118 1.00 0.00 C ATOM 750 C ASP A 48 -2.045 -4.135 7.780 1.00 0.00 C ATOM 751 O ASP A 48 -2.163 -5.060 7.017 1.00 0.00 O ATOM 752 CB ASP A 48 -4.085 -4.772 9.001 1.00 0.00 C ATOM 753 CG ASP A 48 -4.750 -5.005 10.325 1.00 0.00 C ATOM 754 OD1 ASP A 48 -5.196 -4.040 10.950 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.841 -6.164 10.772 1.00 0.00 O ATOM 0 H ASP A 48 -3.324 -2.214 9.114 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.100 -4.791 9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.707 -4.105 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.024 -5.718 8.463 1.00 0.00 H new ATOM 760 N GLY A 49 -1.367 -3.044 7.505 1.00 0.00 N ATOM 761 CA GLY A 49 -0.774 -2.839 6.176 1.00 0.00 C ATOM 762 C GLY A 49 0.201 -3.880 5.807 1.00 0.00 C ATOM 763 O GLY A 49 0.107 -4.484 4.734 1.00 0.00 O ATOM 0 H GLY A 49 -1.206 -2.285 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.569 -2.815 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.284 -1.866 6.151 1.00 0.00 H new ATOM 767 N SER A 50 1.097 -4.158 6.690 1.00 0.00 N ATOM 768 CA SER A 50 2.049 -5.201 6.406 1.00 0.00 C ATOM 769 C SER A 50 1.455 -6.606 6.534 1.00 0.00 C ATOM 770 O SER A 50 2.102 -7.585 6.256 1.00 0.00 O ATOM 771 CB SER A 50 3.392 -5.016 7.127 1.00 0.00 C ATOM 772 OG SER A 50 3.257 -4.481 8.438 1.00 0.00 O ATOM 0 H SER A 50 1.199 -3.698 7.595 1.00 0.00 H new ATOM 0 HA SER A 50 2.295 -5.098 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.901 -5.978 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.026 -4.355 6.536 1.00 0.00 H new ATOM 0 HG SER A 50 4.143 -4.388 8.846 1.00 0.00 H new ATOM 778 N ASP A 51 0.221 -6.687 6.963 1.00 0.00 N ATOM 779 CA ASP A 51 -0.487 -7.946 6.993 1.00 0.00 C ATOM 780 C ASP A 51 -1.198 -8.139 5.665 1.00 0.00 C ATOM 781 O ASP A 51 -1.156 -9.207 5.096 1.00 0.00 O ATOM 782 CB ASP A 51 -1.493 -8.013 8.144 1.00 0.00 C ATOM 783 CG ASP A 51 -0.866 -7.736 9.484 1.00 0.00 C ATOM 784 OD1 ASP A 51 -0.251 -8.637 10.083 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.968 -6.597 9.966 1.00 0.00 O ATOM 0 H ASP A 51 -0.320 -5.890 7.299 1.00 0.00 H new ATOM 0 HA ASP A 51 0.237 -8.744 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.291 -7.292 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.954 -9.001 8.161 1.00 0.00 H new ATOM 790 N LEU A 52 -1.787 -7.033 5.153 1.00 0.00 N ATOM 791 CA LEU A 52 -2.605 -6.977 3.898 1.00 0.00 C ATOM 792 C LEU A 52 -1.973 -7.702 2.742 1.00 0.00 C ATOM 793 O LEU A 52 -2.632 -8.433 1.997 1.00 0.00 O ATOM 794 CB LEU A 52 -2.819 -5.506 3.439 1.00 0.00 C ATOM 795 CG LEU A 52 -3.613 -4.591 4.361 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.676 -3.201 3.775 1.00 0.00 C ATOM 797 CD2 LEU A 52 -5.015 -5.125 4.571 1.00 0.00 C ATOM 0 H LEU A 52 -1.710 -6.123 5.608 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.547 -7.461 4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.838 -5.057 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.320 -5.525 2.471 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.110 -4.554 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.246 -2.551 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.666 -2.808 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.162 -3.239 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.564 -4.455 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.528 -5.188 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.963 -6.117 5.020 1.00 0.00 H new ATOM 809 N ILE A 53 -0.699 -7.522 2.623 1.00 0.00 N ATOM 810 CA ILE A 53 0.044 -7.983 1.472 1.00 0.00 C ATOM 811 C ILE A 53 0.309 -9.465 1.578 1.00 0.00 C ATOM 812 O ILE A 53 0.366 -10.190 0.585 1.00 0.00 O ATOM 813 CB ILE A 53 1.382 -7.217 1.410 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.104 -5.712 1.424 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.194 -7.608 0.173 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.334 -4.867 1.560 1.00 0.00 C ATOM 0 H ILE A 53 -0.129 -7.047 3.323 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.535 -7.801 0.567 1.00 0.00 H new ATOM 0 HB ILE A 53 1.978 -7.483 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.588 -5.439 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.427 -5.485 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.130 -7.050 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.409 -8.676 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.622 -7.377 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.053 -3.814 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.840 -5.109 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.004 -5.063 0.723 1.00 0.00 H new ATOM 828 N TYR A 54 0.451 -9.901 2.774 1.00 0.00 N ATOM 829 CA TYR A 54 0.832 -11.242 3.054 1.00 0.00 C ATOM 830 C TYR A 54 -0.368 -12.155 3.294 1.00 0.00 C ATOM 831 O TYR A 54 -0.380 -13.318 2.861 1.00 0.00 O ATOM 832 CB TYR A 54 1.775 -11.236 4.233 1.00 0.00 C ATOM 833 CG TYR A 54 3.107 -10.565 3.948 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.184 -11.281 3.446 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.281 -9.219 4.183 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.392 -10.660 3.195 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.475 -8.589 3.942 1.00 0.00 C ATOM 838 CZ TYR A 54 5.530 -9.309 3.449 1.00 0.00 C ATOM 839 OH TYR A 54 6.735 -8.679 3.216 1.00 0.00 O ATOM 0 H TYR A 54 0.304 -9.328 3.605 1.00 0.00 H new ATOM 0 HA TYR A 54 1.338 -11.653 2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.294 -10.728 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.956 -12.264 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.077 -12.337 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.453 -8.643 4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.223 -11.227 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.582 -7.533 4.140 1.00 0.00 H new ATOM 0 HH TYR A 54 7.143 -9.044 2.403 1.00 0.00 H new ATOM 849 N TYR A 55 -1.365 -11.629 3.959 1.00 0.00 N ATOM 850 CA TYR A 55 -2.528 -12.373 4.329 1.00 0.00 C ATOM 851 C TYR A 55 -3.781 -11.586 3.972 1.00 0.00 C ATOM 852 O TYR A 55 -3.818 -10.359 4.127 1.00 0.00 O ATOM 853 CB TYR A 55 -2.557 -12.626 5.848 1.00 0.00 C ATOM 854 CG TYR A 55 -1.382 -13.386 6.417 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.339 -14.771 6.368 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.327 -12.718 7.027 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.280 -15.473 6.905 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.731 -13.413 7.569 1.00 0.00 C ATOM 859 CZ TYR A 55 0.750 -14.789 7.505 1.00 0.00 C ATOM 860 OH TYR A 55 1.803 -15.484 8.061 1.00 0.00 O ATOM 0 H TYR A 55 -1.386 -10.655 4.261 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.497 -13.322 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.621 -11.663 6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.468 -13.174 6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.150 -15.310 5.901 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.337 -11.639 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.260 -16.552 6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.543 -12.881 8.043 1.00 0.00 H new ATOM 0 HH TYR A 55 2.447 -14.852 8.443 1.00 0.00 H new ATOM 870 N PRO A 56 -4.794 -12.265 3.461 1.00 0.00 N ATOM 871 CA PRO A 56 -6.110 -11.673 3.239 1.00 0.00 C ATOM 872 C PRO A 56 -6.788 -11.451 4.593 1.00 0.00 C ATOM 873 O PRO A 56 -6.454 -12.133 5.579 1.00 0.00 O ATOM 874 CB PRO A 56 -6.856 -12.760 2.454 1.00 0.00 C ATOM 875 CG PRO A 56 -6.174 -14.026 2.830 1.00 0.00 C ATOM 876 CD PRO A 56 -4.739 -13.664 3.032 1.00 0.00 C ATOM 0 HA PRO A 56 -6.082 -10.715 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.913 -12.785 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.800 -12.583 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.604 -14.448 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.282 -14.777 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.268 -14.296 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.163 -13.779 2.114 1.00 0.00 H new ATOM 884 N ARG A 57 -7.689 -10.511 4.687 1.00 0.00 N ATOM 885 CA ARG A 57 -8.341 -10.307 5.959 1.00 0.00 C ATOM 886 C ARG A 57 -9.734 -10.923 5.989 1.00 0.00 C ATOM 887 O ARG A 57 -9.886 -12.144 5.819 1.00 0.00 O ATOM 888 CB ARG A 57 -8.386 -8.823 6.354 1.00 0.00 C ATOM 889 CG ARG A 57 -7.028 -8.166 6.490 1.00 0.00 C ATOM 890 CD ARG A 57 -7.158 -6.699 6.859 1.00 0.00 C ATOM 891 NE ARG A 57 -7.719 -6.492 8.198 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.052 -5.298 8.717 1.00 0.00 C ATOM 893 NH1 ARG A 57 -8.067 -4.205 7.946 1.00 0.00 N ATOM 894 NH2 ARG A 57 -8.400 -5.212 9.992 1.00 0.00 N ATOM 0 H ARG A 57 -7.983 -9.893 3.931 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.735 -10.824 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.965 -8.279 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.917 -8.728 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.446 -8.684 7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.481 -8.260 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.176 -6.228 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.791 -6.200 6.125 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.868 -7.317 8.779 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.825 -4.275 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.321 -3.302 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.414 -6.049 10.574 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.654 -4.308 10.392 1.00 0.00 H new ATOM 908 N ASP A 58 -10.742 -10.102 6.155 1.00 0.00 N ATOM 909 CA ASP A 58 -12.100 -10.600 6.270 1.00 0.00 C ATOM 910 C ASP A 58 -13.029 -10.019 5.217 1.00 0.00 C ATOM 911 O ASP A 58 -13.445 -10.699 4.277 1.00 0.00 O ATOM 912 CB ASP A 58 -12.649 -10.335 7.673 1.00 0.00 C ATOM 913 CG ASP A 58 -13.968 -11.021 7.926 1.00 0.00 C ATOM 914 OD1 ASP A 58 -15.020 -10.492 7.543 1.00 0.00 O ATOM 915 OD2 ASP A 58 -13.962 -12.110 8.534 1.00 0.00 O ATOM 0 H ASP A 58 -10.653 -9.088 6.214 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.059 -11.675 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.922 -10.672 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.771 -9.261 7.813 1.00 0.00 H new ATOM 920 N ASP A 59 -13.301 -8.744 5.378 1.00 0.00 N ATOM 921 CA ASP A 59 -14.286 -8.002 4.582 1.00 0.00 C ATOM 922 C ASP A 59 -13.684 -7.474 3.298 1.00 0.00 C ATOM 923 O ASP A 59 -14.392 -7.184 2.337 1.00 0.00 O ATOM 924 CB ASP A 59 -14.822 -6.830 5.433 1.00 0.00 C ATOM 925 CG ASP A 59 -15.807 -5.919 4.716 1.00 0.00 C ATOM 926 OD1 ASP A 59 -17.010 -6.252 4.647 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.399 -4.833 4.248 1.00 0.00 O ATOM 0 H ASP A 59 -12.838 -8.168 6.081 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.096 -8.678 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.305 -7.236 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.977 -6.231 5.774 1.00 0.00 H new ATOM 932 N ARG A 60 -12.390 -7.394 3.264 1.00 0.00 N ATOM 933 CA ARG A 60 -11.715 -6.824 2.164 1.00 0.00 C ATOM 934 C ARG A 60 -11.437 -7.853 1.081 1.00 0.00 C ATOM 935 O ARG A 60 -11.204 -9.032 1.366 1.00 0.00 O ATOM 936 CB ARG A 60 -10.410 -6.231 2.646 1.00 0.00 C ATOM 937 CG ARG A 60 -9.593 -5.590 1.565 1.00 0.00 C ATOM 938 CD ARG A 60 -10.071 -4.179 1.183 1.00 0.00 C ATOM 939 NE ARG A 60 -11.490 -4.058 0.793 1.00 0.00 N ATOM 940 CZ ARG A 60 -12.433 -3.449 1.544 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.155 -3.055 2.787 1.00 0.00 N ATOM 942 NH2 ARG A 60 -13.650 -3.265 1.054 1.00 0.00 N ATOM 0 H ARG A 60 -11.778 -7.728 4.009 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.351 -6.052 1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.623 -5.488 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.818 -7.016 3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.554 -5.536 1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.617 -6.224 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.889 -3.515 2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.456 -3.820 0.357 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.776 -4.460 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.225 -3.213 3.176 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.872 -2.596 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.874 -3.583 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.363 -2.805 1.620 1.00 0.00 H new ATOM 956 N GLU A 61 -11.469 -7.391 -0.138 1.00 0.00 N ATOM 957 CA GLU A 61 -11.108 -8.167 -1.291 1.00 0.00 C ATOM 958 C GLU A 61 -9.616 -8.466 -1.238 1.00 0.00 C ATOM 959 O GLU A 61 -8.804 -7.587 -0.919 1.00 0.00 O ATOM 960 CB GLU A 61 -11.427 -7.369 -2.557 1.00 0.00 C ATOM 961 CG GLU A 61 -11.054 -8.063 -3.843 1.00 0.00 C ATOM 962 CD GLU A 61 -11.786 -9.360 -4.023 1.00 0.00 C ATOM 963 OE1 GLU A 61 -12.912 -9.349 -4.545 1.00 0.00 O ATOM 964 OE2 GLU A 61 -11.258 -10.420 -3.634 1.00 0.00 O ATOM 0 H GLU A 61 -11.755 -6.438 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.669 -9.101 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.494 -7.149 -2.574 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.905 -6.413 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.272 -7.405 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.980 -8.250 -3.854 1.00 0.00 H new ATOM 971 N ASP A 62 -9.256 -9.677 -1.544 1.00 0.00 N ATOM 972 CA ASP A 62 -7.865 -10.061 -1.536 1.00 0.00 C ATOM 973 C ASP A 62 -7.265 -9.878 -2.906 1.00 0.00 C ATOM 974 O ASP A 62 -7.261 -10.792 -3.734 1.00 0.00 O ATOM 975 CB ASP A 62 -7.658 -11.491 -1.023 1.00 0.00 C ATOM 976 CG ASP A 62 -6.203 -11.954 -1.114 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.316 -11.353 -0.459 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.921 -12.912 -1.867 1.00 0.00 O ATOM 0 H ASP A 62 -9.903 -10.421 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.346 -9.405 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.988 -11.550 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.287 -12.172 -1.597 1.00 0.00 H new ATOM 983 N SER A 63 -6.897 -8.673 -3.190 1.00 0.00 N ATOM 984 CA SER A 63 -6.245 -8.356 -4.416 1.00 0.00 C ATOM 985 C SER A 63 -5.302 -7.202 -4.133 1.00 0.00 C ATOM 986 O SER A 63 -5.479 -6.520 -3.110 1.00 0.00 O ATOM 987 CB SER A 63 -7.305 -7.956 -5.471 1.00 0.00 C ATOM 988 OG SER A 63 -8.060 -6.827 -5.038 1.00 0.00 O ATOM 0 H SER A 63 -7.042 -7.874 -2.572 1.00 0.00 H new ATOM 0 HA SER A 63 -5.688 -9.208 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.813 -7.727 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.975 -8.796 -5.655 1.00 0.00 H new ATOM 0 HG SER A 63 -8.721 -6.594 -5.723 1.00 0.00 H new ATOM 994 N PRO A 64 -4.268 -6.964 -4.982 1.00 0.00 N ATOM 995 CA PRO A 64 -3.409 -5.778 -4.859 1.00 0.00 C ATOM 996 C PRO A 64 -4.271 -4.512 -4.830 1.00 0.00 C ATOM 997 O PRO A 64 -3.998 -3.569 -4.099 1.00 0.00 O ATOM 998 CB PRO A 64 -2.558 -5.833 -6.152 1.00 0.00 C ATOM 999 CG PRO A 64 -2.467 -7.280 -6.455 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.810 -7.856 -6.073 1.00 0.00 C ATOM 0 HA PRO A 64 -2.806 -5.762 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.031 -5.283 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.572 -5.393 -6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.254 -7.447 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.663 -7.750 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.503 -7.851 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.723 -8.889 -5.738 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.348 -4.566 -5.582 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.299 -3.489 -5.700 1.00 0.00 C ATOM 1010 C GLU A 65 -7.080 -3.300 -4.387 1.00 0.00 C ATOM 1011 O GLU A 65 -7.294 -2.164 -3.940 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.225 -3.796 -6.874 1.00 0.00 C ATOM 1013 CG GLU A 65 -6.461 -3.928 -8.187 1.00 0.00 C ATOM 1014 CD GLU A 65 -7.267 -4.522 -9.305 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -7.984 -3.776 -10.012 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -7.183 -5.750 -9.519 1.00 0.00 O ATOM 0 H GLU A 65 -5.591 -5.383 -6.142 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.781 -2.549 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.767 -4.721 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.969 -3.004 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.108 -2.942 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.578 -4.545 -8.021 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.464 -4.412 -3.768 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.190 -4.376 -2.513 1.00 0.00 C ATOM 1025 C GLY A 66 -7.337 -3.897 -1.369 1.00 0.00 C ATOM 1026 O GLY A 66 -7.811 -3.181 -0.509 1.00 0.00 O ATOM 0 H GLY A 66 -7.281 -5.351 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.055 -3.721 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.569 -5.373 -2.287 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.078 -4.274 -1.372 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.123 -3.830 -0.352 1.00 0.00 C ATOM 1032 C ILE A 67 -5.077 -2.295 -0.315 1.00 0.00 C ATOM 1033 O ILE A 67 -5.290 -1.677 0.719 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.722 -4.437 -0.640 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -3.791 -5.957 -0.433 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.633 -3.801 0.230 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.534 -6.703 -0.791 1.00 0.00 C ATOM 0 H ILE A 67 -5.677 -4.895 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.444 -4.180 0.629 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.448 -4.223 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.029 -6.156 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.613 -6.353 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.670 -4.254 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.588 -2.730 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.866 -3.965 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.679 -7.768 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.302 -6.541 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.709 -6.341 -0.178 1.00 0.00 H new ATOM 1049 N VAL A 68 -4.856 -1.723 -1.463 1.00 0.00 N ATOM 1050 CA VAL A 68 -4.867 -0.280 -1.690 1.00 0.00 C ATOM 1051 C VAL A 68 -6.228 0.325 -1.336 1.00 0.00 C ATOM 1052 O VAL A 68 -6.315 1.444 -0.827 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.547 0.001 -3.170 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.557 1.494 -3.484 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.212 -0.591 -3.495 1.00 0.00 C ATOM 0 H VAL A 68 -4.654 -2.257 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.114 0.178 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.322 -0.457 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.326 1.646 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.543 1.905 -3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.809 1.999 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.974 -0.399 -4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.450 -0.140 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.239 -1.667 -3.321 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.276 -0.427 -1.581 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.621 0.022 -1.307 1.00 0.00 C ATOM 1067 C LYS A 69 -8.831 0.094 0.209 1.00 0.00 C ATOM 1068 O LYS A 69 -9.481 1.017 0.707 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.648 -0.899 -2.028 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.075 -0.355 -2.154 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.854 -0.447 -0.874 1.00 0.00 C ATOM 1072 CE LYS A 69 -13.070 0.468 -0.912 1.00 0.00 C ATOM 1073 NZ LYS A 69 -14.004 0.166 -2.012 1.00 0.00 N ATOM 0 H LYS A 69 -7.220 -1.366 -1.975 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.779 1.026 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.273 -1.112 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.690 -1.849 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.034 0.686 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.601 -0.907 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.173 -1.476 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.215 -0.175 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.602 0.390 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.734 1.501 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.854 0.757 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.543 0.365 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.274 -0.837 -1.972 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.241 -0.845 0.922 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.280 -0.866 2.373 1.00 0.00 C ATOM 1089 C GLU A 70 -7.534 0.364 2.885 1.00 0.00 C ATOM 1090 O GLU A 70 -8.022 1.089 3.751 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.608 -2.148 2.893 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.791 -2.411 4.378 1.00 0.00 C ATOM 1093 CD GLU A 70 -9.245 -2.533 4.771 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.943 -3.411 4.247 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.694 -1.788 5.646 1.00 0.00 O ATOM 0 H GLU A 70 -7.719 -1.619 0.511 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.311 -0.851 2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.003 -2.998 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.541 -2.094 2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.267 -3.328 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.331 -1.602 4.946 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.366 0.616 2.282 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.532 1.776 2.615 1.00 0.00 C ATOM 1104 C ILE A 71 -6.328 3.060 2.401 1.00 0.00 C ATOM 1105 O ILE A 71 -6.288 3.978 3.231 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.257 1.883 1.711 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.446 0.588 1.653 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.368 3.036 2.141 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -2.956 0.060 2.956 1.00 0.00 C ATOM 0 H ILE A 71 -5.973 0.023 1.551 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.228 1.645 3.654 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.627 2.074 0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.060 -0.180 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.585 0.751 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.493 3.082 1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.923 3.971 2.067 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.049 2.884 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.395 -0.860 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.308 0.799 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.805 -0.147 3.607 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.017 3.130 1.273 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.780 4.284 0.929 1.00 0.00 C ATOM 1123 C LYS A 72 -8.906 4.505 1.922 1.00 0.00 C ATOM 1124 O LYS A 72 -8.943 5.525 2.569 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.255 4.236 -0.562 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.733 3.993 -0.834 1.00 0.00 C ATOM 1127 CD LYS A 72 -10.088 4.080 -2.328 1.00 0.00 C ATOM 1128 CE LYS A 72 -9.469 2.967 -3.155 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.887 3.025 -4.569 1.00 0.00 N ATOM 0 H LYS A 72 -7.053 2.381 0.582 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.136 5.161 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.980 5.181 -1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.689 3.453 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.010 3.009 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.324 4.724 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.172 4.048 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.756 5.042 -2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.383 3.034 -3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.752 2.003 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.152 2.595 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.779 2.504 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.025 4.017 -4.850 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.733 3.501 2.117 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.899 3.624 2.973 1.00 0.00 C ATOM 1145 C GLU A 73 -10.584 3.863 4.417 1.00 0.00 C ATOM 1146 O GLU A 73 -11.303 4.602 5.087 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.833 2.451 2.832 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.642 2.496 1.576 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.452 3.761 1.468 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.195 4.083 2.413 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -13.390 4.440 0.427 1.00 0.00 O ATOM 0 H GLU A 73 -9.620 2.581 1.691 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.401 4.522 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.254 1.528 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.505 2.424 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.978 2.417 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.310 1.635 1.544 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.538 3.264 4.897 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.178 3.412 6.273 1.00 0.00 C ATOM 1160 C TRP A 74 -8.706 4.839 6.541 1.00 0.00 C ATOM 1161 O TRP A 74 -9.187 5.510 7.458 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.109 2.406 6.614 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.756 2.350 8.047 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.467 1.751 9.039 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.589 2.882 8.649 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.803 1.868 10.220 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.647 2.558 10.010 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.492 3.601 8.164 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.658 2.913 10.891 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.500 3.960 9.037 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.588 3.608 10.395 1.00 0.00 C ATOM 0 H TRP A 74 -8.916 2.665 4.353 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.045 3.227 6.907 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.443 1.418 6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.212 2.639 6.041 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.418 1.256 8.908 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.119 1.499 11.117 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.428 3.868 7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.721 2.654 11.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.646 4.516 8.680 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.790 3.893 11.065 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.829 5.335 5.694 1.00 0.00 N ATOM 1183 CA ARG A 75 -7.296 6.674 5.867 1.00 0.00 C ATOM 1184 C ARG A 75 -8.358 7.711 5.534 1.00 0.00 C ATOM 1185 O ARG A 75 -8.389 8.791 6.122 1.00 0.00 O ATOM 1186 CB ARG A 75 -6.063 6.866 5.019 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.956 5.888 5.359 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.788 6.049 4.430 1.00 0.00 C ATOM 1189 NE ARG A 75 -4.245 6.121 3.039 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.820 7.010 2.125 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -2.840 7.875 2.413 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -4.392 7.052 0.937 1.00 0.00 N ATOM 0 H ARG A 75 -7.470 4.835 4.881 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.009 6.806 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.330 6.754 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.694 7.884 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.631 6.045 6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.336 4.868 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.235 6.953 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.102 5.211 4.551 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.943 5.440 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.406 7.865 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.527 8.544 1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.154 6.411 0.715 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.072 7.725 0.241 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.248 7.352 4.618 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.370 8.192 4.221 1.00 0.00 C ATOM 1208 C ALA A 76 -11.359 8.339 5.380 1.00 0.00 C ATOM 1209 O ALA A 76 -12.005 9.378 5.538 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.072 7.599 2.983 1.00 0.00 C ATOM 0 H ALA A 76 -9.211 6.460 4.125 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.991 9.181 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.908 8.238 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.363 7.539 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.441 6.601 3.217 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.445 7.313 6.210 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.369 7.303 7.319 1.00 0.00 C ATOM 1218 C ALA A 77 -11.751 8.026 8.470 1.00 0.00 C ATOM 1219 O ALA A 77 -12.381 8.848 9.121 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.735 5.881 7.709 1.00 0.00 C ATOM 0 H ALA A 77 -10.877 6.470 6.130 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.290 7.807 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.432 5.901 8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.201 5.380 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.834 5.340 8.000 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.482 7.726 8.684 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.696 8.307 9.746 1.00 0.00 C ATOM 1228 C ASN A 78 -9.481 9.798 9.556 1.00 0.00 C ATOM 1229 O ASN A 78 -9.324 10.539 10.524 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.333 7.613 9.850 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.310 6.278 10.595 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.288 5.931 11.176 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.390 5.548 10.607 1.00 0.00 N ATOM 0 H ASN A 78 -9.964 7.059 8.112 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.260 8.160 10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.954 7.449 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.639 8.293 10.344 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.400 4.661 11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.225 5.864 10.114 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.459 10.229 8.321 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.214 11.616 8.039 1.00 0.00 C ATOM 1242 C GLY A 79 -7.740 11.882 8.009 1.00 0.00 C ATOM 1243 O GLY A 79 -7.242 12.817 8.638 1.00 0.00 O ATOM 0 H GLY A 79 -9.607 9.642 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.660 11.885 7.081 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.689 12.239 8.797 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.052 11.024 7.319 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.642 11.083 7.148 1.00 0.00 C ATOM 1249 C LYS A 80 -5.330 11.558 5.737 1.00 0.00 C ATOM 1250 O LYS A 80 -6.216 12.073 5.047 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.083 9.692 7.387 1.00 0.00 C ATOM 1252 CG LYS A 80 -5.022 9.290 8.857 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.716 7.817 9.005 1.00 0.00 C ATOM 1254 CE LYS A 80 -4.285 7.441 10.430 1.00 0.00 C ATOM 1255 NZ LYS A 80 -5.282 7.742 11.488 1.00 0.00 N ATOM 0 H LYS A 80 -7.482 10.232 6.841 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.189 11.782 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.695 8.969 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.080 9.638 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.257 9.877 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.973 9.518 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.598 7.238 8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.926 7.542 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.061 6.375 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.359 7.967 10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.855 7.582 12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.582 8.735 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.108 7.120 11.374 1.00 0.00 H new ATOM 1269 N SER A 81 -4.097 11.388 5.312 1.00 0.00 N ATOM 1270 CA SER A 81 -3.677 11.761 3.981 1.00 0.00 C ATOM 1271 C SER A 81 -4.353 10.832 2.949 1.00 0.00 C ATOM 1272 O SER A 81 -4.975 9.816 3.318 1.00 0.00 O ATOM 1273 CB SER A 81 -2.151 11.650 3.899 1.00 0.00 C ATOM 1274 OG SER A 81 -1.617 12.283 2.730 1.00 0.00 O ATOM 0 H SER A 81 -3.355 10.985 5.884 1.00 0.00 H new ATOM 0 HA SER A 81 -3.971 12.787 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.709 12.102 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.866 10.598 3.901 1.00 0.00 H new ATOM 0 HG SER A 81 -0.797 11.823 2.454 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.224 11.152 1.685 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.861 10.363 0.656 1.00 0.00 C ATOM 1282 C GLY A 82 -3.880 9.956 -0.401 1.00 0.00 C ATOM 1283 O GLY A 82 -2.709 9.713 -0.092 1.00 0.00 O ATOM 0 H GLY A 82 -3.687 11.949 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.310 9.475 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.670 10.936 0.203 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.357 9.786 -1.602 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.539 9.552 -2.735 1.00 0.00 C ATOM 1289 C PHE A 83 -3.681 10.767 -3.624 1.00 0.00 C ATOM 1290 O PHE A 83 -4.592 11.576 -3.416 1.00 0.00 O ATOM 1291 CB PHE A 83 -4.004 8.306 -3.505 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.998 7.015 -2.699 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.802 6.537 -2.207 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.173 6.261 -2.445 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.744 5.369 -1.492 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.098 5.088 -1.722 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.883 4.644 -1.247 1.00 0.00 C ATOM 0 H PHE A 83 -5.354 9.809 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.507 9.385 -2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.014 8.481 -3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.363 8.176 -4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.894 7.093 -2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.126 6.605 -2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.794 5.016 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.994 4.517 -1.528 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.827 3.725 -0.682 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.806 10.926 -4.567 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.917 12.011 -5.493 1.00 0.00 C ATOM 1309 C LYS A 84 -4.068 11.721 -6.443 1.00 0.00 C ATOM 1310 O LYS A 84 -4.159 10.633 -7.014 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.597 12.221 -6.211 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.559 13.401 -7.174 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.121 13.778 -7.538 1.00 0.00 C ATOM 1314 CE LYS A 84 0.615 12.687 -8.303 1.00 0.00 C ATOM 1315 NZ LYS A 84 0.121 12.524 -9.681 1.00 0.00 N ATOM 0 H LYS A 84 -2.003 10.315 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.136 12.944 -4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.814 12.357 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.355 11.314 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.112 13.151 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.058 14.258 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.133 14.688 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.429 14.006 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.679 12.922 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.510 11.742 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.572 11.694 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.910 12.390 -9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.352 13.373 -10.235 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.918 12.700 -6.604 1.00 0.00 N ATOM 1330 CA GLN A 85 -6.191 12.576 -7.322 1.00 0.00 C ATOM 1331 C GLN A 85 -6.056 12.674 -8.845 1.00 0.00 C ATOM 1332 O GLN A 85 -7.026 12.978 -9.557 1.00 0.00 O ATOM 1333 CB GLN A 85 -7.233 13.598 -6.783 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.903 15.110 -6.944 1.00 0.00 C ATOM 1335 CD GLN A 85 -5.661 15.581 -6.185 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -4.536 15.646 -6.856 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -5.733 15.941 -5.026 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.754 13.637 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.550 11.566 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.183 13.406 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.384 13.397 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.768 15.327 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.760 15.692 -6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.621 15.880 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.906 16.304 -4.552 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.921 12.343 -9.339 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.691 12.396 -10.738 1.00 0.00 C ATOM 1348 C GLY A 86 -3.356 12.968 -11.005 1.00 0.00 C ATOM 1349 O GLY A 86 -2.456 12.773 -10.180 1.00 0.00 O ATOM 1350 OXT GLY A 86 -3.180 13.656 -12.013 1.00 0.00 O ATOM 0 H GLY A 86 -4.124 12.027 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.760 11.396 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.459 13.002 -11.219 1.00 0.00 H new TER 1354 GLY A 86