USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 GLN :FLIP amide:sc=-0.00712 F(o=-0.83,f=-0.0071) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0794 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.167 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -0.0678 (180deg=-0.161) USER MOD Single : A 22 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 77:sc= -2.37! USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0133) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.103 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 40 GLN : amide:sc=-0.00408 X(o=-0.0041,f=-0.36) USER MOD Single : A 50 THR OG1 : rot -43:sc= 0.825 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 69:sc= 0.418 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.79) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0283 (180deg=-0.252) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.839 -36.763 10.944 1.00 0.00 N ATOM 2 CA GLY A 1 -21.010 -36.170 10.324 1.00 0.00 C ATOM 3 C GLY A 1 -20.732 -35.672 8.919 1.00 0.00 C ATOM 4 O GLY A 1 -19.579 -35.604 8.493 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.008 -37.776 11.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.018 -36.646 10.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.651 -36.292 11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.813 -36.906 10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.361 -35.340 10.937 1.00 0.00 H new ATOM 8 N SER A 2 -21.792 -35.324 8.196 1.00 0.00 N ATOM 9 CA SER A 2 -21.657 -34.835 6.828 1.00 0.00 C ATOM 10 C SER A 2 -22.381 -33.503 6.655 1.00 0.00 C ATOM 11 O SER A 2 -23.530 -33.351 7.067 1.00 0.00 O ATOM 12 CB SER A 2 -22.212 -35.863 5.840 1.00 0.00 C ATOM 13 OG SER A 2 -23.612 -36.015 5.994 1.00 0.00 O ATOM 0 H SER A 2 -22.753 -35.371 8.534 1.00 0.00 H new ATOM 0 HA SER A 2 -20.597 -34.682 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.987 -35.550 4.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.720 -36.823 5.995 1.00 0.00 H new ATOM 0 HG SER A 2 -23.991 -35.194 6.371 1.00 0.00 H new ATOM 19 N SER A 3 -21.700 -32.543 6.040 1.00 0.00 N ATOM 20 CA SER A 3 -22.274 -31.221 5.814 1.00 0.00 C ATOM 21 C SER A 3 -21.964 -30.728 4.404 1.00 0.00 C ATOM 22 O SER A 3 -20.920 -31.048 3.838 1.00 0.00 O ATOM 23 CB SER A 3 -21.738 -30.226 6.844 1.00 0.00 C ATOM 24 OG SER A 3 -22.677 -29.194 7.092 1.00 0.00 O ATOM 0 H SER A 3 -20.749 -32.655 5.689 1.00 0.00 H new ATOM 0 HA SER A 3 -23.356 -31.298 5.923 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.511 -30.747 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.804 -29.794 6.485 1.00 0.00 H new ATOM 0 HG SER A 3 -22.312 -28.572 7.755 1.00 0.00 H new ATOM 30 N GLY A 4 -22.881 -29.945 3.842 1.00 0.00 N ATOM 31 CA GLY A 4 -22.687 -29.420 2.503 1.00 0.00 C ATOM 32 C GLY A 4 -21.405 -28.624 2.372 1.00 0.00 C ATOM 33 O GLY A 4 -21.043 -27.865 3.271 1.00 0.00 O ATOM 0 H GLY A 4 -23.754 -29.665 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.673 -30.245 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.533 -28.786 2.239 1.00 0.00 H new ATOM 37 N SER A 5 -20.715 -28.798 1.249 1.00 0.00 N ATOM 38 CA SER A 5 -19.461 -28.093 1.007 1.00 0.00 C ATOM 39 C SER A 5 -19.435 -27.501 -0.399 1.00 0.00 C ATOM 40 O SER A 5 -19.748 -28.180 -1.378 1.00 0.00 O ATOM 41 CB SER A 5 -18.274 -29.039 1.194 1.00 0.00 C ATOM 42 OG SER A 5 -17.088 -28.318 1.478 1.00 0.00 O ATOM 0 H SER A 5 -21.002 -29.420 0.493 1.00 0.00 H new ATOM 0 HA SER A 5 -19.385 -27.280 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.484 -29.735 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.134 -29.635 0.292 1.00 0.00 H new ATOM 0 HG SER A 5 -16.344 -28.945 1.595 1.00 0.00 H new ATOM 48 N SER A 6 -19.060 -26.228 -0.492 1.00 0.00 N ATOM 49 CA SER A 6 -18.996 -25.543 -1.778 1.00 0.00 C ATOM 50 C SER A 6 -17.564 -25.502 -2.301 1.00 0.00 C ATOM 51 O SER A 6 -16.627 -25.904 -1.612 1.00 0.00 O ATOM 52 CB SER A 6 -19.545 -24.120 -1.647 1.00 0.00 C ATOM 53 OG SER A 6 -18.690 -23.314 -0.854 1.00 0.00 O ATOM 0 H SER A 6 -18.796 -25.651 0.307 1.00 0.00 H new ATOM 0 HA SER A 6 -19.607 -26.098 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.653 -23.676 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.539 -24.150 -1.200 1.00 0.00 H new ATOM 0 HG SER A 6 -19.062 -22.410 -0.787 1.00 0.00 H new ATOM 59 N GLY A 7 -17.402 -25.013 -3.527 1.00 0.00 N ATOM 60 CA GLY A 7 -16.082 -24.929 -4.125 1.00 0.00 C ATOM 61 C GLY A 7 -16.130 -24.538 -5.588 1.00 0.00 C ATOM 62 O GLY A 7 -16.401 -25.371 -6.451 1.00 0.00 O ATOM 0 H GLY A 7 -18.162 -24.673 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.485 -24.200 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.580 -25.892 -4.026 1.00 0.00 H new ATOM 66 N ALA A 8 -15.873 -23.265 -5.867 1.00 0.00 N ATOM 67 CA ALA A 8 -15.888 -22.764 -7.235 1.00 0.00 C ATOM 68 C ALA A 8 -14.636 -21.947 -7.536 1.00 0.00 C ATOM 69 O ALA A 8 -13.842 -21.657 -6.640 1.00 0.00 O ATOM 70 CB ALA A 8 -17.137 -21.928 -7.478 1.00 0.00 C ATOM 0 H ALA A 8 -15.652 -22.561 -5.163 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.901 -23.621 -7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.135 -21.560 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.023 -22.541 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.149 -21.083 -6.790 1.00 0.00 H new ATOM 76 N TYR A 9 -14.464 -21.579 -8.800 1.00 0.00 N ATOM 77 CA TYR A 9 -13.307 -20.799 -9.220 1.00 0.00 C ATOM 78 C TYR A 9 -13.739 -19.501 -9.896 1.00 0.00 C ATOM 79 O TYR A 9 -14.395 -19.503 -10.939 1.00 0.00 O ATOM 80 CB TYR A 9 -12.431 -21.615 -10.172 1.00 0.00 C ATOM 81 CG TYR A 9 -12.851 -21.509 -11.620 1.00 0.00 C ATOM 82 CD1 TYR A 9 -13.910 -22.262 -12.114 1.00 0.00 C ATOM 83 CD2 TYR A 9 -12.190 -20.657 -12.495 1.00 0.00 C ATOM 84 CE1 TYR A 9 -14.297 -22.169 -13.437 1.00 0.00 C ATOM 85 CE2 TYR A 9 -12.570 -20.557 -13.820 1.00 0.00 C ATOM 86 CZ TYR A 9 -13.624 -21.316 -14.285 1.00 0.00 C ATOM 87 OH TYR A 9 -14.008 -21.220 -15.604 1.00 0.00 O ATOM 0 H TYR A 9 -15.113 -21.809 -9.553 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.729 -20.549 -8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -11.397 -21.282 -10.077 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -12.458 -22.662 -9.870 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.439 -22.931 -11.452 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -11.364 -20.062 -12.134 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -15.122 -22.761 -13.805 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -12.045 -19.889 -14.487 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.433 -20.575 -16.066 1.00 0.00 H new ATOM 97 N PRO A 10 -13.366 -18.365 -9.288 1.00 0.00 N ATOM 98 CA PRO A 10 -13.703 -17.038 -9.813 1.00 0.00 C ATOM 99 C PRO A 10 -12.950 -16.715 -11.098 1.00 0.00 C ATOM 100 O PRO A 10 -12.238 -17.559 -11.641 1.00 0.00 O ATOM 101 CB PRO A 10 -13.276 -16.093 -8.688 1.00 0.00 C ATOM 102 CG PRO A 10 -12.212 -16.834 -7.954 1.00 0.00 C ATOM 103 CD PRO A 10 -12.586 -18.288 -8.042 1.00 0.00 C ATOM 0 HA PRO A 10 -14.758 -16.959 -10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.900 -15.150 -9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.114 -15.852 -8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.233 -16.655 -8.399 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.154 -16.508 -6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.704 -18.928 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.173 -18.605 -7.180 1.00 0.00 H new ATOM 111 N ASP A 11 -13.109 -15.487 -11.578 1.00 0.00 N ATOM 112 CA ASP A 11 -12.441 -15.051 -12.800 1.00 0.00 C ATOM 113 C ASP A 11 -11.530 -13.858 -12.524 1.00 0.00 C ATOM 114 O ASP A 11 -11.494 -13.335 -11.411 1.00 0.00 O ATOM 115 CB ASP A 11 -13.474 -14.683 -13.867 1.00 0.00 C ATOM 116 CG ASP A 11 -14.435 -13.609 -13.399 1.00 0.00 C ATOM 117 OD1 ASP A 11 -13.961 -12.560 -12.916 1.00 0.00 O ATOM 118 OD2 ASP A 11 -15.661 -13.819 -13.513 1.00 0.00 O ATOM 0 H ASP A 11 -13.694 -14.775 -11.140 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.830 -15.876 -13.166 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.958 -14.339 -14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.037 -15.574 -14.145 1.00 0.00 H new ATOM 123 N PHE A 12 -10.794 -13.435 -13.546 1.00 0.00 N ATOM 124 CA PHE A 12 -9.881 -12.305 -13.414 1.00 0.00 C ATOM 125 C PHE A 12 -10.565 -11.003 -13.819 1.00 0.00 C ATOM 126 O PHE A 12 -10.947 -10.822 -14.975 1.00 0.00 O ATOM 127 CB PHE A 12 -8.633 -12.527 -14.272 1.00 0.00 C ATOM 128 CG PHE A 12 -8.871 -12.314 -15.741 1.00 0.00 C ATOM 129 CD1 PHE A 12 -9.362 -13.339 -16.533 1.00 0.00 C ATOM 130 CD2 PHE A 12 -8.603 -11.088 -16.328 1.00 0.00 C ATOM 131 CE1 PHE A 12 -9.580 -13.146 -17.884 1.00 0.00 C ATOM 132 CE2 PHE A 12 -8.819 -10.888 -17.678 1.00 0.00 C ATOM 133 CZ PHE A 12 -9.309 -11.919 -18.456 1.00 0.00 C ATOM 0 H PHE A 12 -10.812 -13.857 -14.474 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.585 -12.229 -12.368 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.846 -11.851 -13.937 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.269 -13.542 -14.114 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.577 -14.300 -16.090 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.221 -10.279 -15.723 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.962 -13.954 -18.491 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.605 -9.928 -18.124 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.480 -11.765 -19.511 1.00 0.00 H new ATOM 143 N ALA A 13 -10.715 -10.097 -12.857 1.00 0.00 N ATOM 144 CA ALA A 13 -11.352 -8.811 -13.113 1.00 0.00 C ATOM 145 C ALA A 13 -10.619 -7.683 -12.394 1.00 0.00 C ATOM 146 O ALA A 13 -10.121 -7.845 -11.278 1.00 0.00 O ATOM 147 CB ALA A 13 -12.811 -8.849 -12.684 1.00 0.00 C ATOM 0 H ALA A 13 -10.404 -10.230 -11.895 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.304 -8.618 -14.185 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.274 -7.882 -12.881 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.335 -9.623 -13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.871 -9.069 -11.618 1.00 0.00 H new ATOM 153 N PRO A 14 -10.547 -6.514 -13.045 1.00 0.00 N ATOM 154 CA PRO A 14 -9.874 -5.336 -12.487 1.00 0.00 C ATOM 155 C PRO A 14 -10.632 -4.743 -11.304 1.00 0.00 C ATOM 156 O PRO A 14 -11.702 -5.227 -10.935 1.00 0.00 O ATOM 157 CB PRO A 14 -9.855 -4.350 -13.657 1.00 0.00 C ATOM 158 CG PRO A 14 -11.005 -4.756 -14.514 1.00 0.00 C ATOM 159 CD PRO A 14 -11.115 -6.249 -14.377 1.00 0.00 C ATOM 0 HA PRO A 14 -8.884 -5.578 -12.100 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.963 -3.322 -13.310 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.914 -4.404 -14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.924 -4.266 -14.192 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.838 -4.470 -15.553 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.150 -6.583 -14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.560 -6.766 -15.160 1.00 0.00 H new ATOM 167 N GLN A 15 -10.070 -3.692 -10.714 1.00 0.00 N ATOM 168 CA GLN A 15 -10.694 -3.034 -9.573 1.00 0.00 C ATOM 169 C GLN A 15 -10.454 -1.529 -9.614 1.00 0.00 C ATOM 170 O GLN A 15 -9.710 -1.031 -10.459 1.00 0.00 O ATOM 171 CB GLN A 15 -10.153 -3.612 -8.264 1.00 0.00 C ATOM 172 CG GLN A 15 -10.915 -4.836 -7.780 1.00 0.00 C ATOM 173 CD GLN A 15 -12.197 -4.477 -7.056 1.00 0.00 C ATOM 174 OE1 GLN A 15 -12.189 -4.194 -5.858 1.00 0.00 O ATOM 175 NE2 GLN A 15 -13.309 -4.485 -7.781 1.00 0.00 N ATOM 0 H GLN A 15 -9.185 -3.279 -11.007 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.768 -3.214 -9.625 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.104 -3.877 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.191 -2.842 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.150 -5.473 -8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.277 -5.417 -7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.270 -4.726 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.202 -4.250 -7.348 1.00 0.00 H new ATOM 184 N LYS A 16 -11.089 -0.807 -8.696 1.00 0.00 N ATOM 185 CA LYS A 16 -10.943 0.642 -8.627 1.00 0.00 C ATOM 186 C LYS A 16 -9.972 1.039 -7.519 1.00 0.00 C ATOM 187 O LYS A 16 -9.675 0.244 -6.626 1.00 0.00 O ATOM 188 CB LYS A 16 -12.304 1.300 -8.386 1.00 0.00 C ATOM 189 CG LYS A 16 -13.164 1.391 -9.635 1.00 0.00 C ATOM 190 CD LYS A 16 -12.822 2.621 -10.459 1.00 0.00 C ATOM 191 CE LYS A 16 -13.303 2.481 -11.896 1.00 0.00 C ATOM 192 NZ LYS A 16 -14.789 2.504 -11.987 1.00 0.00 N ATOM 0 H LYS A 16 -11.710 -1.202 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.541 0.988 -9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.842 0.735 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.148 2.303 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.024 0.496 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.216 1.423 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.277 3.502 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.744 2.779 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.890 3.290 -12.498 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.928 1.548 -12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.077 2.406 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.183 1.717 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.146 3.405 -11.610 1.00 0.00 H new ATOM 206 N PHE A 17 -9.483 2.273 -7.581 1.00 0.00 N ATOM 207 CA PHE A 17 -8.546 2.775 -6.583 1.00 0.00 C ATOM 208 C PHE A 17 -9.277 3.549 -5.492 1.00 0.00 C ATOM 209 O PHE A 17 -10.088 4.431 -5.778 1.00 0.00 O ATOM 210 CB PHE A 17 -7.496 3.671 -7.244 1.00 0.00 C ATOM 211 CG PHE A 17 -7.891 5.118 -7.298 1.00 0.00 C ATOM 212 CD1 PHE A 17 -8.688 5.594 -8.326 1.00 0.00 C ATOM 213 CD2 PHE A 17 -7.466 6.003 -6.321 1.00 0.00 C ATOM 214 CE1 PHE A 17 -9.053 6.927 -8.378 1.00 0.00 C ATOM 215 CE2 PHE A 17 -7.827 7.336 -6.367 1.00 0.00 C ATOM 216 CZ PHE A 17 -8.623 7.798 -7.397 1.00 0.00 C ATOM 0 H PHE A 17 -9.720 2.944 -8.312 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.048 1.920 -6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.557 3.579 -6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.312 3.315 -8.258 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.028 4.917 -9.095 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.844 5.647 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.674 7.286 -9.185 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.487 8.015 -5.599 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.909 8.839 -7.435 1.00 0.00 H new ATOM 226 N LYS A 18 -8.986 3.215 -4.239 1.00 0.00 N ATOM 227 CA LYS A 18 -9.614 3.878 -3.103 1.00 0.00 C ATOM 228 C LYS A 18 -8.792 3.677 -1.834 1.00 0.00 C ATOM 229 O LYS A 18 -7.829 2.911 -1.822 1.00 0.00 O ATOM 230 CB LYS A 18 -11.032 3.344 -2.895 1.00 0.00 C ATOM 231 CG LYS A 18 -11.089 1.846 -2.649 1.00 0.00 C ATOM 232 CD LYS A 18 -12.440 1.268 -3.036 1.00 0.00 C ATOM 233 CE LYS A 18 -12.666 -0.094 -2.398 1.00 0.00 C ATOM 234 NZ LYS A 18 -14.107 -0.467 -2.384 1.00 0.00 N ATOM 0 H LYS A 18 -8.318 2.488 -3.985 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.663 4.945 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.485 3.860 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.633 3.583 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.304 1.352 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.893 1.642 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.231 1.951 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.501 1.178 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.101 -0.849 -2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.283 -0.085 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.219 -1.401 -1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.643 0.240 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.466 -0.501 -3.359 1.00 0.00 H new ATOM 248 N GLU A 19 -9.182 4.368 -0.767 1.00 0.00 N ATOM 249 CA GLU A 19 -8.481 4.264 0.507 1.00 0.00 C ATOM 250 C GLU A 19 -8.714 2.898 1.146 1.00 0.00 C ATOM 251 O GLU A 19 -9.621 2.163 0.755 1.00 0.00 O ATOM 252 CB GLU A 19 -8.940 5.370 1.459 1.00 0.00 C ATOM 253 CG GLU A 19 -8.119 5.454 2.736 1.00 0.00 C ATOM 254 CD GLU A 19 -6.631 5.568 2.466 1.00 0.00 C ATOM 255 OE1 GLU A 19 -6.185 6.663 2.064 1.00 0.00 O ATOM 256 OE2 GLU A 19 -5.915 4.564 2.658 1.00 0.00 O ATOM 0 H GLU A 19 -9.979 5.005 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.414 4.379 0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.890 6.328 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.985 5.203 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.446 6.316 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.308 4.569 3.344 1.00 0.00 H new ATOM 263 N LYS A 20 -7.889 2.564 2.133 1.00 0.00 N ATOM 264 CA LYS A 20 -8.004 1.287 2.828 1.00 0.00 C ATOM 265 C LYS A 20 -8.854 1.428 4.086 1.00 0.00 C ATOM 266 O LYS A 20 -8.967 2.516 4.654 1.00 0.00 O ATOM 267 CB LYS A 20 -6.616 0.756 3.194 1.00 0.00 C ATOM 268 CG LYS A 20 -5.726 0.498 1.990 1.00 0.00 C ATOM 269 CD LYS A 20 -4.902 1.725 1.633 1.00 0.00 C ATOM 270 CE LYS A 20 -4.293 1.602 0.245 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.645 2.869 -0.190 1.00 0.00 N ATOM 0 H LYS A 20 -7.133 3.160 2.470 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.492 0.579 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.124 1.472 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.728 -0.170 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.061 -0.339 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.341 0.210 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.532 2.613 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.109 1.859 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.557 0.798 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.069 1.327 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.113 2.703 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.374 3.592 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.995 3.199 0.552 1.00 0.00 H new ATOM 285 N THR A 21 -9.449 0.322 4.520 1.00 0.00 N ATOM 286 CA THR A 21 -10.289 0.321 5.711 1.00 0.00 C ATOM 287 C THR A 21 -9.451 0.487 6.975 1.00 0.00 C ATOM 288 O THR A 21 -8.331 -0.016 7.057 1.00 0.00 O ATOM 289 CB THR A 21 -11.109 -0.977 5.820 1.00 0.00 C ATOM 290 OG1 THR A 21 -11.746 -1.260 4.569 1.00 0.00 O ATOM 291 CG2 THR A 21 -12.159 -0.865 6.916 1.00 0.00 C ATOM 0 H THR A 21 -9.365 -0.586 4.064 1.00 0.00 H new ATOM 0 HA THR A 21 -10.971 1.166 5.616 1.00 0.00 H new ATOM 0 HB THR A 21 -10.429 -1.790 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.264 -2.088 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.725 -1.794 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.669 -0.679 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.836 -0.041 6.689 1.00 0.00 H new ATOM 299 N GLN A 22 -10.002 1.194 7.955 1.00 0.00 N ATOM 300 CA GLN A 22 -9.305 1.426 9.214 1.00 0.00 C ATOM 301 C GLN A 22 -8.470 0.211 9.606 1.00 0.00 C ATOM 302 O GLN A 22 -7.264 0.316 9.820 1.00 0.00 O ATOM 303 CB GLN A 22 -10.306 1.751 10.324 1.00 0.00 C ATOM 304 CG GLN A 22 -9.675 1.835 11.705 1.00 0.00 C ATOM 305 CD GLN A 22 -8.695 2.985 11.831 1.00 0.00 C ATOM 306 OE1 GLN A 22 -7.858 3.198 10.954 1.00 0.00 O ATOM 307 NE2 GLN A 22 -8.793 3.730 12.925 1.00 0.00 N ATOM 0 H GLN A 22 -10.929 1.616 7.902 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.636 2.276 9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.792 2.700 10.097 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.085 0.988 10.335 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.460 1.948 12.453 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.161 0.899 11.923 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.503 3.516 13.626 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.159 4.516 13.065 1.00 0.00 H new ATOM 316 N GLY A 23 -9.122 -0.944 9.699 1.00 0.00 N ATOM 317 CA GLY A 23 -8.425 -2.163 10.064 1.00 0.00 C ATOM 318 C GLY A 23 -7.190 -2.401 9.217 1.00 0.00 C ATOM 319 O GLY A 23 -6.108 -2.657 9.746 1.00 0.00 O ATOM 0 H GLY A 23 -10.121 -1.057 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.137 -2.113 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.102 -3.010 9.959 1.00 0.00 H new ATOM 323 N GLN A 24 -7.351 -2.317 7.901 1.00 0.00 N ATOM 324 CA GLN A 24 -6.241 -2.528 6.981 1.00 0.00 C ATOM 325 C GLN A 24 -5.123 -1.524 7.238 1.00 0.00 C ATOM 326 O GLN A 24 -3.987 -1.903 7.525 1.00 0.00 O ATOM 327 CB GLN A 24 -6.721 -2.414 5.533 1.00 0.00 C ATOM 328 CG GLN A 24 -7.770 -3.448 5.156 1.00 0.00 C ATOM 329 CD GLN A 24 -8.331 -3.230 3.765 1.00 0.00 C ATOM 330 OE1 GLN A 24 -7.452 -3.218 2.769 1.00 0.00 O flip ATOM 331 NE2 GLN A 24 -9.539 -3.076 3.586 1.00 0.00 N flip ATOM 0 H GLN A 24 -8.240 -2.104 7.448 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.850 -3.532 7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.132 -1.417 5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.865 -2.517 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.330 -4.444 5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.583 -3.416 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.178 -3.092 4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.901 -2.932 2.643 1.00 0.00 H new ATOM 340 N VAL A 25 -5.452 -0.239 7.135 1.00 0.00 N ATOM 341 CA VAL A 25 -4.474 0.819 7.358 1.00 0.00 C ATOM 342 C VAL A 25 -3.706 0.595 8.655 1.00 0.00 C ATOM 343 O VAL A 25 -2.492 0.793 8.714 1.00 0.00 O ATOM 344 CB VAL A 25 -5.149 2.202 7.408 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.134 3.281 7.753 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.833 2.510 6.084 1.00 0.00 C ATOM 0 H VAL A 25 -6.387 0.093 6.899 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.779 0.790 6.519 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.908 2.186 8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.630 4.251 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.693 3.068 8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.350 3.298 6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.305 3.491 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.094 2.506 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.591 1.754 5.882 1.00 0.00 H new ATOM 356 N LYS A 26 -4.420 0.179 9.696 1.00 0.00 N ATOM 357 CA LYS A 26 -3.807 -0.076 10.994 1.00 0.00 C ATOM 358 C LYS A 26 -2.716 -1.136 10.881 1.00 0.00 C ATOM 359 O LYS A 26 -1.671 -1.036 11.525 1.00 0.00 O ATOM 360 CB LYS A 26 -4.866 -0.525 12.003 1.00 0.00 C ATOM 361 CG LYS A 26 -4.540 -0.143 13.436 1.00 0.00 C ATOM 362 CD LYS A 26 -4.955 1.287 13.741 1.00 0.00 C ATOM 363 CE LYS A 26 -4.642 1.663 15.181 1.00 0.00 C ATOM 364 NZ LYS A 26 -5.586 2.690 15.705 1.00 0.00 N ATOM 0 H LYS A 26 -5.426 0.011 9.665 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.354 0.852 11.342 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.826 -0.088 11.729 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.979 -1.607 11.941 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.048 -0.824 14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.470 -0.257 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.439 1.969 13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.023 1.404 13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.690 0.772 15.807 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.622 2.042 15.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.339 2.919 16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.522 3.550 15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.557 2.319 15.669 1.00 0.00 H new ATOM 378 N ILE A 27 -2.965 -2.150 10.059 1.00 0.00 N ATOM 379 CA ILE A 27 -2.002 -3.226 9.861 1.00 0.00 C ATOM 380 C ILE A 27 -0.740 -2.715 9.175 1.00 0.00 C ATOM 381 O ILE A 27 0.366 -3.184 9.455 1.00 0.00 O ATOM 382 CB ILE A 27 -2.602 -4.371 9.021 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.847 -4.936 9.707 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.568 -5.464 8.803 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.692 -5.808 8.803 1.00 0.00 C ATOM 0 H ILE A 27 -3.825 -2.249 9.520 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.746 -3.607 10.850 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.894 -3.975 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.541 -5.518 10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.456 -4.110 10.074 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.006 -6.266 8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.707 -5.051 8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.249 -5.860 9.767 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.557 -6.174 9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.029 -5.225 7.946 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.099 -6.654 8.456 1.00 0.00 H new ATOM 397 N LEU A 28 -0.910 -1.752 8.275 1.00 0.00 N ATOM 398 CA LEU A 28 0.217 -1.174 7.551 1.00 0.00 C ATOM 399 C LEU A 28 0.986 -0.194 8.430 1.00 0.00 C ATOM 400 O LEU A 28 2.209 -0.273 8.541 1.00 0.00 O ATOM 401 CB LEU A 28 -0.274 -0.466 6.286 1.00 0.00 C ATOM 402 CG LEU A 28 -1.073 -1.325 5.305 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.644 -0.464 4.188 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.202 -2.433 4.734 1.00 0.00 C ATOM 0 H LEU A 28 -1.817 -1.355 8.029 1.00 0.00 H new ATOM 0 HA LEU A 28 0.890 -1.984 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.892 0.381 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.591 -0.060 5.762 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.902 -1.784 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.210 -1.091 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.302 0.294 4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.830 0.023 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.787 -3.034 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.647 -1.995 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.160 -3.066 5.545 1.00 0.00 H new ATOM 416 N GLU A 29 0.260 0.728 9.055 1.00 0.00 N ATOM 417 CA GLU A 29 0.876 1.723 9.926 1.00 0.00 C ATOM 418 C GLU A 29 1.762 1.055 10.974 1.00 0.00 C ATOM 419 O GLU A 29 2.885 1.494 11.223 1.00 0.00 O ATOM 420 CB GLU A 29 -0.200 2.565 10.615 1.00 0.00 C ATOM 421 CG GLU A 29 -0.702 3.722 9.767 1.00 0.00 C ATOM 422 CD GLU A 29 0.213 4.928 9.825 1.00 0.00 C ATOM 423 OE1 GLU A 29 1.425 4.766 9.568 1.00 0.00 O ATOM 424 OE2 GLU A 29 -0.280 6.036 10.126 1.00 0.00 O ATOM 0 H GLU A 29 -0.754 0.807 8.975 1.00 0.00 H new ATOM 0 HA GLU A 29 1.498 2.373 9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.042 1.923 10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.201 2.957 11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.799 3.394 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.698 4.010 10.105 1.00 0.00 H new ATOM 431 N ASP A 30 1.249 -0.008 11.582 1.00 0.00 N ATOM 432 CA ASP A 30 1.993 -0.738 12.602 1.00 0.00 C ATOM 433 C ASP A 30 3.358 -1.168 12.076 1.00 0.00 C ATOM 434 O ASP A 30 4.360 -1.095 12.788 1.00 0.00 O ATOM 435 CB ASP A 30 1.201 -1.962 13.065 1.00 0.00 C ATOM 436 CG ASP A 30 1.798 -2.605 14.301 1.00 0.00 C ATOM 437 OD1 ASP A 30 1.643 -2.033 15.400 1.00 0.00 O ATOM 438 OD2 ASP A 30 2.421 -3.680 14.169 1.00 0.00 O ATOM 0 H ASP A 30 0.321 -0.384 11.387 1.00 0.00 H new ATOM 0 HA ASP A 30 2.145 -0.072 13.451 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.172 -1.668 13.273 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.166 -2.695 12.259 1.00 0.00 H new ATOM 443 N SER A 31 3.389 -1.617 10.825 1.00 0.00 N ATOM 444 CA SER A 31 4.630 -2.065 10.205 1.00 0.00 C ATOM 445 C SER A 31 5.495 -0.874 9.799 1.00 0.00 C ATOM 446 O SER A 31 6.641 -0.750 10.229 1.00 0.00 O ATOM 447 CB SER A 31 4.331 -2.932 8.981 1.00 0.00 C ATOM 448 OG SER A 31 4.210 -4.297 9.341 1.00 0.00 O ATOM 0 H SER A 31 2.569 -1.680 10.222 1.00 0.00 H new ATOM 0 HA SER A 31 5.178 -2.659 10.936 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.409 -2.594 8.508 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.127 -2.816 8.246 1.00 0.00 H new ATOM 0 HG SER A 31 3.337 -4.449 9.759 1.00 0.00 H new ATOM 454 N PHE A 32 4.936 -0.002 8.967 1.00 0.00 N ATOM 455 CA PHE A 32 5.654 1.179 8.501 1.00 0.00 C ATOM 456 C PHE A 32 6.259 1.945 9.673 1.00 0.00 C ATOM 457 O PHE A 32 7.480 2.061 9.791 1.00 0.00 O ATOM 458 CB PHE A 32 4.717 2.092 7.709 1.00 0.00 C ATOM 459 CG PHE A 32 5.431 3.191 6.975 1.00 0.00 C ATOM 460 CD1 PHE A 32 5.793 4.359 7.629 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.739 3.058 5.631 1.00 0.00 C ATOM 462 CE1 PHE A 32 6.449 5.371 6.956 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.395 4.069 4.952 1.00 0.00 C ATOM 464 CZ PHE A 32 6.751 5.225 5.615 1.00 0.00 C ATOM 0 H PHE A 32 3.988 -0.091 8.601 1.00 0.00 H new ATOM 0 HA PHE A 32 6.463 0.848 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.157 1.491 6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.990 2.534 8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.559 4.479 8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.464 2.155 5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.726 6.276 7.477 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.628 3.953 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.265 6.015 5.087 1.00 0.00 H new ATOM 474 N LEU A 33 5.396 2.468 10.539 1.00 0.00 N ATOM 475 CA LEU A 33 5.843 3.224 11.703 1.00 0.00 C ATOM 476 C LEU A 33 7.154 2.663 12.247 1.00 0.00 C ATOM 477 O LEU A 33 8.030 3.410 12.682 1.00 0.00 O ATOM 478 CB LEU A 33 4.773 3.200 12.794 1.00 0.00 C ATOM 479 CG LEU A 33 3.611 4.179 12.617 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.435 3.776 13.494 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.056 5.598 12.937 1.00 0.00 C ATOM 0 H LEU A 33 4.383 2.382 10.456 1.00 0.00 H new ATOM 0 HA LEU A 33 6.012 4.255 11.392 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.366 2.191 12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.253 3.406 13.750 1.00 0.00 H new ATOM 0 HG LEU A 33 3.289 4.147 11.576 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.618 4.484 13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.100 2.776 13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.743 3.779 14.540 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.217 6.281 12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.405 5.646 13.969 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.866 5.885 12.266 1.00 0.00 H new ATOM 493 N LYS A 34 7.281 1.340 12.218 1.00 0.00 N ATOM 494 CA LYS A 34 8.485 0.676 12.705 1.00 0.00 C ATOM 495 C LYS A 34 9.612 0.777 11.683 1.00 0.00 C ATOM 496 O LYS A 34 10.705 1.251 11.993 1.00 0.00 O ATOM 497 CB LYS A 34 8.192 -0.793 13.014 1.00 0.00 C ATOM 498 CG LYS A 34 7.454 -1.003 14.325 1.00 0.00 C ATOM 499 CD LYS A 34 6.827 -2.385 14.397 1.00 0.00 C ATOM 500 CE LYS A 34 7.805 -3.412 14.947 1.00 0.00 C ATOM 501 NZ LYS A 34 7.945 -3.308 16.426 1.00 0.00 N ATOM 0 H LYS A 34 6.565 0.707 11.862 1.00 0.00 H new ATOM 0 HA LYS A 34 8.802 1.177 13.620 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.600 -1.215 12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.132 -1.344 13.044 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.145 -0.872 15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.678 -0.245 14.433 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.940 -2.351 15.029 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.499 -2.689 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.466 -4.414 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.780 -3.272 14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.896 -3.622 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.806 -2.320 16.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.232 -3.909 16.885 1.00 0.00 H new ATOM 515 N SER A 35 9.340 0.329 10.461 1.00 0.00 N ATOM 516 CA SER A 35 10.332 0.367 9.395 1.00 0.00 C ATOM 517 C SER A 35 9.686 0.742 8.064 1.00 0.00 C ATOM 518 O SER A 35 8.907 -0.026 7.500 1.00 0.00 O ATOM 519 CB SER A 35 11.031 -0.989 9.269 1.00 0.00 C ATOM 520 OG SER A 35 11.803 -1.273 10.422 1.00 0.00 O ATOM 0 H SER A 35 8.440 -0.064 10.186 1.00 0.00 H new ATOM 0 HA SER A 35 11.071 1.127 9.649 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.288 -1.773 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.673 -0.990 8.388 1.00 0.00 H new ATOM 0 HG SER A 35 12.238 -2.145 10.318 1.00 0.00 H new ATOM 526 N SER A 36 10.015 1.930 7.568 1.00 0.00 N ATOM 527 CA SER A 36 9.465 2.412 6.306 1.00 0.00 C ATOM 528 C SER A 36 9.559 1.336 5.227 1.00 0.00 C ATOM 529 O SER A 36 8.597 1.082 4.503 1.00 0.00 O ATOM 530 CB SER A 36 10.202 3.672 5.851 1.00 0.00 C ATOM 531 OG SER A 36 11.561 3.392 5.562 1.00 0.00 O ATOM 0 H SER A 36 10.660 2.577 8.021 1.00 0.00 H new ATOM 0 HA SER A 36 8.414 2.653 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.716 4.082 4.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.142 4.433 6.629 1.00 0.00 H new ATOM 0 HG SER A 36 12.010 4.213 5.272 1.00 0.00 H new ATOM 537 N PHE A 37 10.725 0.708 5.127 1.00 0.00 N ATOM 538 CA PHE A 37 10.947 -0.340 4.137 1.00 0.00 C ATOM 539 C PHE A 37 10.849 -1.721 4.775 1.00 0.00 C ATOM 540 O PHE A 37 11.772 -2.191 5.441 1.00 0.00 O ATOM 541 CB PHE A 37 12.318 -0.166 3.478 1.00 0.00 C ATOM 542 CG PHE A 37 12.311 0.802 2.328 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.411 2.165 2.553 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.206 0.348 1.023 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.405 3.057 1.497 1.00 0.00 C ATOM 546 CE2 PHE A 37 12.200 1.235 -0.037 1.00 0.00 C ATOM 547 CZ PHE A 37 12.300 2.591 0.201 1.00 0.00 C ATOM 0 H PHE A 37 11.531 0.906 5.719 1.00 0.00 H new ATOM 0 HA PHE A 37 10.172 -0.256 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.032 0.177 4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.668 -1.136 3.124 1.00 0.00 H new ATOM 0 HD1 PHE A 37 12.495 2.535 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 37 12.128 -0.712 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.482 4.118 1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.117 0.868 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.296 3.287 -0.625 1.00 0.00 H new ATOM 557 N PRO A 38 9.703 -2.388 4.570 1.00 0.00 N ATOM 558 CA PRO A 38 9.457 -3.725 5.117 1.00 0.00 C ATOM 559 C PRO A 38 10.313 -4.794 4.445 1.00 0.00 C ATOM 560 O PRO A 38 11.110 -4.497 3.554 1.00 0.00 O ATOM 561 CB PRO A 38 7.974 -3.963 4.817 1.00 0.00 C ATOM 562 CG PRO A 38 7.683 -3.098 3.640 1.00 0.00 C ATOM 563 CD PRO A 38 8.561 -1.888 3.787 1.00 0.00 C ATOM 0 HA PRO A 38 9.708 -3.784 6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.778 -5.012 4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.350 -3.695 5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.895 -3.623 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.631 -2.815 3.614 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.877 -1.501 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.045 -1.077 4.302 1.00 0.00 H new ATOM 571 N THR A 39 10.145 -6.039 4.878 1.00 0.00 N ATOM 572 CA THR A 39 10.902 -7.151 4.320 1.00 0.00 C ATOM 573 C THR A 39 9.985 -8.141 3.612 1.00 0.00 C ATOM 574 O THR A 39 8.772 -8.139 3.824 1.00 0.00 O ATOM 575 CB THR A 39 11.696 -7.895 5.411 1.00 0.00 C ATOM 576 OG1 THR A 39 12.595 -8.834 4.810 1.00 0.00 O ATOM 577 CG2 THR A 39 10.758 -8.622 6.362 1.00 0.00 C ATOM 0 H THR A 39 9.490 -6.302 5.614 1.00 0.00 H new ATOM 0 HA THR A 39 11.600 -6.726 3.599 1.00 0.00 H new ATOM 0 HB THR A 39 12.266 -7.160 5.979 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.097 -9.301 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.341 -9.140 7.123 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.095 -7.901 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.164 -9.347 5.805 1.00 0.00 H new ATOM 585 N GLN A 40 10.571 -8.987 2.770 1.00 0.00 N ATOM 586 CA GLN A 40 9.805 -9.982 2.029 1.00 0.00 C ATOM 587 C GLN A 40 8.800 -10.682 2.940 1.00 0.00 C ATOM 588 O GLN A 40 7.633 -10.841 2.584 1.00 0.00 O ATOM 589 CB GLN A 40 10.742 -11.013 1.399 1.00 0.00 C ATOM 590 CG GLN A 40 11.773 -10.404 0.462 1.00 0.00 C ATOM 591 CD GLN A 40 11.182 -10.007 -0.877 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.439 -10.772 -1.492 1.00 0.00 O ATOM 593 NE2 GLN A 40 11.509 -8.804 -1.334 1.00 0.00 N ATOM 0 H GLN A 40 11.574 -9.003 2.584 1.00 0.00 H new ATOM 0 HA GLN A 40 9.258 -9.468 1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.258 -11.555 2.191 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.149 -11.743 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.214 -9.527 0.935 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.580 -11.119 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.128 -8.203 -0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.141 -8.481 -2.229 1.00 0.00 H new ATOM 602 N ALA A 41 9.262 -11.097 4.114 1.00 0.00 N ATOM 603 CA ALA A 41 8.404 -11.778 5.075 1.00 0.00 C ATOM 604 C ALA A 41 7.281 -10.863 5.555 1.00 0.00 C ATOM 605 O ALA A 41 6.103 -11.193 5.429 1.00 0.00 O ATOM 606 CB ALA A 41 9.223 -12.273 6.258 1.00 0.00 C ATOM 0 H ALA A 41 10.226 -10.974 4.423 1.00 0.00 H new ATOM 0 HA ALA A 41 7.952 -12.635 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.568 -12.779 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.985 -12.969 5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.703 -11.426 6.748 1.00 0.00 H new ATOM 612 N GLU A 42 7.656 -9.713 6.105 1.00 0.00 N ATOM 613 CA GLU A 42 6.681 -8.751 6.604 1.00 0.00 C ATOM 614 C GLU A 42 5.593 -8.491 5.565 1.00 0.00 C ATOM 615 O GLU A 42 4.432 -8.854 5.762 1.00 0.00 O ATOM 616 CB GLU A 42 7.370 -7.436 6.975 1.00 0.00 C ATOM 617 CG GLU A 42 6.467 -6.461 7.712 1.00 0.00 C ATOM 618 CD GLU A 42 5.759 -7.101 8.890 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.451 -7.651 9.772 1.00 0.00 O ATOM 620 OE2 GLU A 42 4.511 -7.053 8.930 1.00 0.00 O ATOM 0 H GLU A 42 8.628 -9.425 6.216 1.00 0.00 H new ATOM 0 HA GLU A 42 6.217 -9.173 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.239 -7.654 7.596 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.739 -6.960 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.060 -5.617 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.725 -6.063 7.019 1.00 0.00 H new ATOM 627 N LEU A 43 5.976 -7.859 4.461 1.00 0.00 N ATOM 628 CA LEU A 43 5.034 -7.551 3.391 1.00 0.00 C ATOM 629 C LEU A 43 4.046 -8.695 3.188 1.00 0.00 C ATOM 630 O LEU A 43 2.835 -8.511 3.305 1.00 0.00 O ATOM 631 CB LEU A 43 5.785 -7.271 2.089 1.00 0.00 C ATOM 632 CG LEU A 43 6.259 -5.833 1.881 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.261 -5.760 0.740 1.00 0.00 C ATOM 634 CD2 LEU A 43 5.075 -4.914 1.614 1.00 0.00 C ATOM 0 H LEU A 43 6.932 -7.550 4.284 1.00 0.00 H new ATOM 0 HA LEU A 43 4.474 -6.661 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.654 -7.928 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.138 -7.543 1.255 1.00 0.00 H new ATOM 0 HG LEU A 43 6.754 -5.499 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.587 -4.728 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.123 -6.386 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.793 -6.114 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.431 -3.894 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.551 -5.247 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.394 -4.942 2.464 1.00 0.00 H new ATOM 646 N ASP A 44 4.573 -9.876 2.884 1.00 0.00 N ATOM 647 CA ASP A 44 3.738 -11.052 2.667 1.00 0.00 C ATOM 648 C ASP A 44 2.583 -11.090 3.663 1.00 0.00 C ATOM 649 O ASP A 44 1.453 -11.427 3.306 1.00 0.00 O ATOM 650 CB ASP A 44 4.574 -12.327 2.788 1.00 0.00 C ATOM 651 CG ASP A 44 3.720 -13.579 2.821 1.00 0.00 C ATOM 652 OD1 ASP A 44 2.741 -13.650 2.048 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.031 -14.487 3.619 1.00 0.00 O ATOM 0 H ASP A 44 5.574 -10.044 2.782 1.00 0.00 H new ATOM 0 HA ASP A 44 3.324 -10.992 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.266 -12.385 1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.177 -12.278 3.695 1.00 0.00 H new ATOM 658 N ARG A 45 2.874 -10.744 4.913 1.00 0.00 N ATOM 659 CA ARG A 45 1.862 -10.741 5.961 1.00 0.00 C ATOM 660 C ARG A 45 0.946 -9.527 5.828 1.00 0.00 C ATOM 661 O ARG A 45 -0.250 -9.605 6.107 1.00 0.00 O ATOM 662 CB ARG A 45 2.524 -10.746 7.339 1.00 0.00 C ATOM 663 CG ARG A 45 1.643 -11.326 8.435 1.00 0.00 C ATOM 664 CD ARG A 45 2.307 -11.216 9.799 1.00 0.00 C ATOM 665 NE ARG A 45 2.173 -9.878 10.367 1.00 0.00 N ATOM 666 CZ ARG A 45 2.916 -9.427 11.371 1.00 0.00 C ATOM 667 NH1 ARG A 45 3.843 -10.204 11.914 1.00 0.00 N ATOM 668 NH2 ARG A 45 2.734 -8.196 11.833 1.00 0.00 N ATOM 0 H ARG A 45 3.804 -10.462 5.224 1.00 0.00 H new ATOM 0 HA ARG A 45 1.260 -11.643 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.449 -11.320 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.797 -9.725 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.687 -10.802 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.429 -12.372 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.863 -11.944 10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.364 -11.467 9.709 1.00 0.00 H new ATOM 0 HE ARG A 45 1.470 -9.255 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.986 -11.150 11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.413 -9.856 12.685 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.023 -7.595 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.305 -7.851 12.604 1.00 0.00 H new ATOM 682 N LEU A 46 1.518 -8.406 5.401 1.00 0.00 N ATOM 683 CA LEU A 46 0.754 -7.174 5.233 1.00 0.00 C ATOM 684 C LEU A 46 -0.291 -7.328 4.133 1.00 0.00 C ATOM 685 O LEU A 46 -1.454 -6.969 4.314 1.00 0.00 O ATOM 686 CB LEU A 46 1.691 -6.010 4.904 1.00 0.00 C ATOM 687 CG LEU A 46 2.875 -5.813 5.852 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.774 -4.692 5.357 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.384 -5.522 7.263 1.00 0.00 C ATOM 0 H LEU A 46 2.507 -8.325 5.165 1.00 0.00 H new ATOM 0 HA LEU A 46 0.239 -6.963 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.079 -6.156 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.105 -5.091 4.890 1.00 0.00 H new ATOM 0 HG LEU A 46 3.457 -6.734 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.611 -4.566 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.153 -4.940 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.204 -3.764 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.239 -5.384 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.779 -4.615 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.781 -6.358 7.618 1.00 0.00 H new ATOM 701 N ARG A 47 0.132 -7.865 2.993 1.00 0.00 N ATOM 702 CA ARG A 47 -0.767 -8.067 1.864 1.00 0.00 C ATOM 703 C ARG A 47 -1.933 -8.973 2.253 1.00 0.00 C ATOM 704 O ARG A 47 -3.089 -8.547 2.253 1.00 0.00 O ATOM 705 CB ARG A 47 -0.009 -8.675 0.683 1.00 0.00 C ATOM 706 CG ARG A 47 0.885 -7.682 -0.043 1.00 0.00 C ATOM 707 CD ARG A 47 1.626 -8.340 -1.197 1.00 0.00 C ATOM 708 NE ARG A 47 2.319 -9.555 -0.781 1.00 0.00 N ATOM 709 CZ ARG A 47 1.753 -10.757 -0.768 1.00 0.00 C ATOM 710 NH1 ARG A 47 0.492 -10.904 -1.147 1.00 0.00 N ATOM 711 NH2 ARG A 47 2.451 -11.815 -0.375 1.00 0.00 N ATOM 0 H ARG A 47 1.092 -8.168 2.827 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.165 -7.095 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.600 -9.505 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.727 -9.089 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.282 -6.856 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.604 -7.258 0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.919 -8.580 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.347 -7.636 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 47 3.292 -9.477 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.047 -10.093 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.061 -11.828 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.422 -11.705 -0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.016 -12.738 -0.365 1.00 0.00 H new ATOM 725 N VAL A 48 -1.622 -10.220 2.583 1.00 0.00 N ATOM 726 CA VAL A 48 -2.643 -11.186 2.974 1.00 0.00 C ATOM 727 C VAL A 48 -3.528 -10.629 4.084 1.00 0.00 C ATOM 728 O VAL A 48 -4.754 -10.648 3.983 1.00 0.00 O ATOM 729 CB VAL A 48 -2.013 -12.508 3.449 1.00 0.00 C ATOM 730 CG1 VAL A 48 -0.895 -12.242 4.444 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.074 -13.416 4.055 1.00 0.00 C ATOM 0 H VAL A 48 -0.670 -10.587 2.588 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.251 -11.380 2.090 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.583 -13.015 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.463 -13.189 4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.124 -11.634 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.295 -11.712 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.611 -14.346 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.536 -12.918 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.836 -13.636 3.307 1.00 0.00 H new ATOM 741 N GLU A 49 -2.897 -10.134 5.144 1.00 0.00 N ATOM 742 CA GLU A 49 -3.626 -9.572 6.275 1.00 0.00 C ATOM 743 C GLU A 49 -4.623 -8.515 5.807 1.00 0.00 C ATOM 744 O GLU A 49 -5.834 -8.678 5.954 1.00 0.00 O ATOM 745 CB GLU A 49 -2.654 -8.962 7.286 1.00 0.00 C ATOM 746 CG GLU A 49 -1.886 -9.996 8.093 1.00 0.00 C ATOM 747 CD GLU A 49 -2.687 -10.536 9.262 1.00 0.00 C ATOM 748 OE1 GLU A 49 -3.056 -9.737 10.147 1.00 0.00 O ATOM 749 OE2 GLU A 49 -2.944 -11.758 9.292 1.00 0.00 O ATOM 0 H GLU A 49 -1.882 -10.111 5.243 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.178 -10.379 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.944 -8.326 6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.209 -8.320 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.600 -10.821 7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.964 -9.550 8.465 1.00 0.00 H new ATOM 756 N THR A 50 -4.101 -7.429 5.245 1.00 0.00 N ATOM 757 CA THR A 50 -4.943 -6.343 4.758 1.00 0.00 C ATOM 758 C THR A 50 -5.682 -6.747 3.487 1.00 0.00 C ATOM 759 O THR A 50 -6.543 -6.016 2.998 1.00 0.00 O ATOM 760 CB THR A 50 -4.116 -5.075 4.476 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.169 -5.329 3.431 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.386 -4.614 5.727 1.00 0.00 C ATOM 0 H THR A 50 -3.100 -7.278 5.116 1.00 0.00 H new ATOM 0 HA THR A 50 -5.668 -6.129 5.543 1.00 0.00 H new ATOM 0 HB THR A 50 -4.800 -4.286 4.163 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.754 -6.206 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.809 -3.717 5.502 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.111 -4.392 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.714 -5.402 6.067 1.00 0.00 H new ATOM 770 N LYS A 51 -5.342 -7.917 2.957 1.00 0.00 N ATOM 771 CA LYS A 51 -5.974 -8.421 1.745 1.00 0.00 C ATOM 772 C LYS A 51 -5.696 -7.498 0.562 1.00 0.00 C ATOM 773 O LYS A 51 -6.597 -7.175 -0.212 1.00 0.00 O ATOM 774 CB LYS A 51 -7.484 -8.560 1.951 1.00 0.00 C ATOM 775 CG LYS A 51 -7.861 -9.581 3.011 1.00 0.00 C ATOM 776 CD LYS A 51 -7.994 -10.976 2.421 1.00 0.00 C ATOM 777 CE LYS A 51 -8.341 -12.001 3.488 1.00 0.00 C ATOM 778 NZ LYS A 51 -9.813 -12.141 3.667 1.00 0.00 N ATOM 0 H LYS A 51 -4.631 -8.534 3.349 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.551 -9.402 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.895 -7.590 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.947 -8.842 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.105 -9.588 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.802 -9.291 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.766 -10.975 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.060 -11.257 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.915 -12.967 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.887 -11.708 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.007 -12.849 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.217 -11.226 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.244 -12.446 2.771 1.00 0.00 H new ATOM 792 N LEU A 52 -4.442 -7.079 0.426 1.00 0.00 N ATOM 793 CA LEU A 52 -4.045 -6.195 -0.663 1.00 0.00 C ATOM 794 C LEU A 52 -2.847 -6.766 -1.417 1.00 0.00 C ATOM 795 O LEU A 52 -2.141 -7.639 -0.913 1.00 0.00 O ATOM 796 CB LEU A 52 -3.704 -4.806 -0.121 1.00 0.00 C ATOM 797 CG LEU A 52 -4.806 -4.110 0.679 1.00 0.00 C ATOM 798 CD1 LEU A 52 -4.231 -2.957 1.489 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.908 -3.616 -0.248 1.00 0.00 C ATOM 0 H LEU A 52 -3.683 -7.338 1.057 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.883 -6.113 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.821 -4.892 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.433 -4.166 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.238 -4.833 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.030 -2.474 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.479 -3.337 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.772 -2.233 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.683 -3.124 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.491 -2.909 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.340 -4.462 -0.783 1.00 0.00 H new ATOM 811 N SER A 53 -2.625 -6.265 -2.628 1.00 0.00 N ATOM 812 CA SER A 53 -1.514 -6.725 -3.454 1.00 0.00 C ATOM 813 C SER A 53 -0.260 -5.898 -3.189 1.00 0.00 C ATOM 814 O SER A 53 -0.310 -4.875 -2.502 1.00 0.00 O ATOM 815 CB SER A 53 -1.885 -6.648 -4.936 1.00 0.00 C ATOM 816 OG SER A 53 -3.029 -7.437 -5.217 1.00 0.00 O ATOM 0 H SER A 53 -3.199 -5.541 -3.059 1.00 0.00 H new ATOM 0 HA SER A 53 -1.306 -7.763 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.077 -5.611 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.046 -6.989 -5.542 1.00 0.00 H new ATOM 0 HG SER A 53 -3.247 -7.370 -6.170 1.00 0.00 H new ATOM 822 N ARG A 54 0.864 -6.345 -3.737 1.00 0.00 N ATOM 823 CA ARG A 54 2.132 -5.647 -3.560 1.00 0.00 C ATOM 824 C ARG A 54 1.998 -4.174 -3.934 1.00 0.00 C ATOM 825 O ARG A 54 2.441 -3.293 -3.195 1.00 0.00 O ATOM 826 CB ARG A 54 3.223 -6.302 -4.409 1.00 0.00 C ATOM 827 CG ARG A 54 3.891 -7.487 -3.733 1.00 0.00 C ATOM 828 CD ARG A 54 4.755 -7.046 -2.562 1.00 0.00 C ATOM 829 NE ARG A 54 5.400 -8.177 -1.900 1.00 0.00 N ATOM 830 CZ ARG A 54 6.383 -8.884 -2.446 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.832 -8.579 -3.655 1.00 0.00 N ATOM 832 NH2 ARG A 54 6.919 -9.899 -1.780 1.00 0.00 N ATOM 0 H ARG A 54 0.923 -7.188 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 54 2.411 -5.714 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.789 -6.631 -5.353 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.981 -5.557 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.130 -8.184 -3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.504 -8.023 -4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.516 -6.351 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.140 -6.507 -1.841 1.00 0.00 H new ATOM 0 HE ARG A 54 5.078 -8.438 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.423 -7.799 -4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.587 -9.124 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.576 -10.136 -0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.674 -10.442 -2.199 1.00 0.00 H new ATOM 846 N ARG A 55 1.385 -3.913 -5.084 1.00 0.00 N ATOM 847 CA ARG A 55 1.196 -2.547 -5.556 1.00 0.00 C ATOM 848 C ARG A 55 0.382 -1.733 -4.554 1.00 0.00 C ATOM 849 O ARG A 55 0.842 -0.709 -4.053 1.00 0.00 O ATOM 850 CB ARG A 55 0.497 -2.548 -6.918 1.00 0.00 C ATOM 851 CG ARG A 55 1.246 -3.325 -7.986 1.00 0.00 C ATOM 852 CD ARG A 55 0.295 -3.920 -9.013 1.00 0.00 C ATOM 853 NE ARG A 55 1.001 -4.690 -10.032 1.00 0.00 N ATOM 854 CZ ARG A 55 1.626 -4.140 -11.067 1.00 0.00 C ATOM 855 NH1 ARG A 55 1.632 -2.822 -11.218 1.00 0.00 N ATOM 856 NH2 ARG A 55 2.248 -4.907 -11.953 1.00 0.00 N ATOM 0 H ARG A 55 1.011 -4.630 -5.706 1.00 0.00 H new ATOM 0 HA ARG A 55 2.178 -2.085 -5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.501 -2.972 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.369 -1.518 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.957 -2.666 -8.485 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.824 -4.122 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.427 -4.562 -8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.270 -3.119 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 55 1.015 -5.706 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.156 -2.229 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.113 -2.402 -12.014 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.247 -5.921 -11.840 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.727 -4.483 -12.747 1.00 0.00 H new ATOM 870 N GLU A 56 -0.831 -2.198 -4.269 1.00 0.00 N ATOM 871 CA GLU A 56 -1.709 -1.512 -3.329 1.00 0.00 C ATOM 872 C GLU A 56 -0.909 -0.914 -2.175 1.00 0.00 C ATOM 873 O GLU A 56 -1.026 0.276 -1.875 1.00 0.00 O ATOM 874 CB GLU A 56 -2.764 -2.479 -2.784 1.00 0.00 C ATOM 875 CG GLU A 56 -3.803 -2.888 -3.816 1.00 0.00 C ATOM 876 CD GLU A 56 -4.711 -1.742 -4.215 1.00 0.00 C ATOM 877 OE1 GLU A 56 -5.414 -1.206 -3.333 1.00 0.00 O ATOM 878 OE2 GLU A 56 -4.721 -1.382 -5.411 1.00 0.00 O ATOM 0 H GLU A 56 -1.227 -3.046 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.208 -0.702 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.266 -3.373 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.268 -2.014 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.298 -3.272 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.407 -3.702 -3.415 1.00 0.00 H new ATOM 885 N ILE A 57 -0.097 -1.746 -1.532 1.00 0.00 N ATOM 886 CA ILE A 57 0.722 -1.299 -0.411 1.00 0.00 C ATOM 887 C ILE A 57 1.848 -0.388 -0.884 1.00 0.00 C ATOM 888 O ILE A 57 2.028 0.715 -0.367 1.00 0.00 O ATOM 889 CB ILE A 57 1.328 -2.491 0.354 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.217 -3.391 0.899 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.218 -1.997 1.484 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.697 -4.771 1.290 1.00 0.00 C ATOM 0 H ILE A 57 0.012 -2.732 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 57 0.065 -0.744 0.259 1.00 0.00 H new ATOM 0 HB ILE A 57 1.939 -3.074 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.234 -2.912 1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.565 -3.487 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.639 -2.851 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.026 -1.391 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.628 -1.395 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.142 -5.355 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.122 -5.269 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.458 -4.685 2.066 1.00 0.00 H new ATOM 904 N ASP A 58 2.605 -0.855 -1.872 1.00 0.00 N ATOM 905 CA ASP A 58 3.714 -0.080 -2.418 1.00 0.00 C ATOM 906 C ASP A 58 3.353 1.399 -2.504 1.00 0.00 C ATOM 907 O ASP A 58 4.154 2.265 -2.152 1.00 0.00 O ATOM 908 CB ASP A 58 4.099 -0.606 -3.800 1.00 0.00 C ATOM 909 CG ASP A 58 5.289 0.127 -4.388 1.00 0.00 C ATOM 910 OD1 ASP A 58 5.097 1.245 -4.912 1.00 0.00 O ATOM 911 OD2 ASP A 58 6.411 -0.418 -4.325 1.00 0.00 O ATOM 0 H ASP A 58 2.471 -1.766 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 58 4.566 -0.188 -1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.329 -1.669 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.247 -0.508 -4.473 1.00 0.00 H new ATOM 916 N SER A 59 2.142 1.682 -2.976 1.00 0.00 N ATOM 917 CA SER A 59 1.677 3.056 -3.114 1.00 0.00 C ATOM 918 C SER A 59 1.565 3.731 -1.750 1.00 0.00 C ATOM 919 O SER A 59 2.131 4.802 -1.527 1.00 0.00 O ATOM 920 CB SER A 59 0.323 3.091 -3.825 1.00 0.00 C ATOM 921 OG SER A 59 0.017 4.398 -4.277 1.00 0.00 O ATOM 0 H SER A 59 1.466 0.977 -3.269 1.00 0.00 H new ATOM 0 HA SER A 59 2.407 3.601 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.335 2.404 -4.671 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.457 2.746 -3.146 1.00 0.00 H new ATOM 0 HG SER A 59 -0.852 4.393 -4.729 1.00 0.00 H new ATOM 927 N TRP A 60 0.829 3.098 -0.844 1.00 0.00 N ATOM 928 CA TRP A 60 0.642 3.636 0.499 1.00 0.00 C ATOM 929 C TRP A 60 1.984 3.913 1.167 1.00 0.00 C ATOM 930 O TRP A 60 2.188 4.973 1.759 1.00 0.00 O ATOM 931 CB TRP A 60 -0.176 2.665 1.351 1.00 0.00 C ATOM 932 CG TRP A 60 -0.632 3.252 2.652 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.789 3.942 2.879 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.061 3.205 3.904 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.857 4.326 4.196 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.734 3.885 4.847 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.275 2.652 4.321 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.353 4.027 6.178 1.00 0.00 C ATOM 939 CZ3 TRP A 60 1.652 2.795 5.643 1.00 0.00 C ATOM 940 CH2 TRP A 60 0.840 3.476 6.559 1.00 0.00 C ATOM 0 H TRP A 60 0.352 2.212 -1.014 1.00 0.00 H new ATOM 0 HA TRP A 60 0.100 4.578 0.413 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.047 2.340 0.782 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.423 1.777 1.552 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.540 4.154 2.132 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.619 4.854 4.621 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.907 2.123 3.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.977 4.553 6.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.589 2.374 5.976 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.162 3.568 7.586 1.00 0.00 H new ATOM 951 N PHE A 61 2.897 2.952 1.070 1.00 0.00 N ATOM 952 CA PHE A 61 4.221 3.092 1.667 1.00 0.00 C ATOM 953 C PHE A 61 5.019 4.189 0.968 1.00 0.00 C ATOM 954 O PHE A 61 5.475 5.140 1.603 1.00 0.00 O ATOM 955 CB PHE A 61 4.980 1.766 1.591 1.00 0.00 C ATOM 956 CG PHE A 61 4.687 0.841 2.736 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.394 0.411 2.984 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.705 0.400 3.567 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.120 -0.440 4.038 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.438 -0.452 4.621 1.00 0.00 C ATOM 961 CZ PHE A 61 4.144 -0.872 4.859 1.00 0.00 C ATOM 0 H PHE A 61 2.745 2.068 0.584 1.00 0.00 H new ATOM 0 HA PHE A 61 4.094 3.370 2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.728 1.265 0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.050 1.970 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.589 0.745 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.719 0.726 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.107 -0.767 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.241 -0.790 5.259 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.933 -1.536 5.684 1.00 0.00 H new ATOM 971 N SER A 62 5.183 4.049 -0.343 1.00 0.00 N ATOM 972 CA SER A 62 5.930 5.025 -1.128 1.00 0.00 C ATOM 973 C SER A 62 5.586 6.448 -0.696 1.00 0.00 C ATOM 974 O SER A 62 6.472 7.267 -0.457 1.00 0.00 O ATOM 975 CB SER A 62 5.632 4.848 -2.619 1.00 0.00 C ATOM 976 OG SER A 62 6.511 5.628 -3.411 1.00 0.00 O ATOM 0 H SER A 62 4.809 3.270 -0.884 1.00 0.00 H new ATOM 0 HA SER A 62 6.993 4.857 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.729 3.797 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.601 5.136 -2.824 1.00 0.00 H new ATOM 0 HG SER A 62 6.301 5.496 -4.359 1.00 0.00 H new ATOM 982 N GLU A 63 4.291 6.733 -0.598 1.00 0.00 N ATOM 983 CA GLU A 63 3.830 8.057 -0.196 1.00 0.00 C ATOM 984 C GLU A 63 4.146 8.319 1.273 1.00 0.00 C ATOM 985 O GLU A 63 4.753 9.335 1.617 1.00 0.00 O ATOM 986 CB GLU A 63 2.324 8.192 -0.437 1.00 0.00 C ATOM 987 CG GLU A 63 1.974 8.739 -1.810 1.00 0.00 C ATOM 988 CD GLU A 63 0.674 9.521 -1.814 1.00 0.00 C ATOM 989 OE1 GLU A 63 -0.395 8.892 -1.669 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.727 10.760 -1.959 1.00 0.00 O ATOM 0 H GLU A 63 3.544 6.066 -0.791 1.00 0.00 H new ATOM 0 HA GLU A 63 4.355 8.796 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.856 7.215 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.900 8.847 0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.782 9.383 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.899 7.913 -2.517 1.00 0.00 H new ATOM 997 N ARG A 64 3.729 7.399 2.137 1.00 0.00 N ATOM 998 CA ARG A 64 3.966 7.530 3.569 1.00 0.00 C ATOM 999 C ARG A 64 5.331 8.158 3.838 1.00 0.00 C ATOM 1000 O ARG A 64 5.443 9.118 4.600 1.00 0.00 O ATOM 1001 CB ARG A 64 3.877 6.164 4.250 1.00 0.00 C ATOM 1002 CG ARG A 64 3.680 6.245 5.755 1.00 0.00 C ATOM 1003 CD ARG A 64 2.323 6.835 6.108 1.00 0.00 C ATOM 1004 NE ARG A 64 2.080 6.826 7.549 1.00 0.00 N ATOM 1005 CZ ARG A 64 2.501 7.780 8.371 1.00 0.00 C ATOM 1006 NH1 ARG A 64 3.181 8.814 7.896 1.00 0.00 N ATOM 1007 NH2 ARG A 64 2.240 7.701 9.669 1.00 0.00 N ATOM 0 H ARG A 64 3.225 6.554 1.869 1.00 0.00 H new ATOM 0 HA ARG A 64 3.197 8.183 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.050 5.603 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.788 5.603 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.769 5.249 6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.469 6.856 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.265 7.858 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.539 6.269 5.605 1.00 0.00 H new ATOM 0 HE ARG A 64 1.558 6.044 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.381 8.878 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.504 9.546 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.716 6.907 10.036 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.564 8.434 10.300 1.00 0.00 H new ATOM 1021 N ARG A 65 6.364 7.607 3.211 1.00 0.00 N ATOM 1022 CA ARG A 65 7.720 8.110 3.384 1.00 0.00 C ATOM 1023 C ARG A 65 7.728 9.634 3.469 1.00 0.00 C ATOM 1024 O ARG A 65 8.367 10.215 4.347 1.00 0.00 O ATOM 1025 CB ARG A 65 8.611 7.649 2.228 1.00 0.00 C ATOM 1026 CG ARG A 65 9.011 6.185 2.315 1.00 0.00 C ATOM 1027 CD ARG A 65 10.172 5.870 1.385 1.00 0.00 C ATOM 1028 NE ARG A 65 9.786 5.951 -0.021 1.00 0.00 N ATOM 1029 CZ ARG A 65 10.651 6.143 -1.010 1.00 0.00 C ATOM 1030 NH1 ARG A 65 11.945 6.273 -0.750 1.00 0.00 N ATOM 1031 NH2 ARG A 65 10.222 6.205 -2.266 1.00 0.00 N ATOM 0 H ARG A 65 6.287 6.811 2.578 1.00 0.00 H new ATOM 0 HA ARG A 65 8.112 7.708 4.318 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.088 7.819 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.512 8.263 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.289 5.943 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.157 5.557 2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.989 6.566 1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.548 4.870 1.600 1.00 0.00 H new ATOM 0 HE ARG A 65 8.798 5.855 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.279 6.226 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.606 6.420 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.228 6.105 -2.471 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.887 6.353 -3.025 1.00 0.00 H new ATOM 1045 N LYS A 66 7.014 10.276 2.550 1.00 0.00 N ATOM 1046 CA LYS A 66 6.936 11.731 2.520 1.00 0.00 C ATOM 1047 C LYS A 66 6.205 12.263 3.750 1.00 0.00 C ATOM 1048 O LYS A 66 6.719 13.127 4.464 1.00 0.00 O ATOM 1049 CB LYS A 66 6.224 12.199 1.249 1.00 0.00 C ATOM 1050 CG LYS A 66 7.160 12.423 0.075 1.00 0.00 C ATOM 1051 CD LYS A 66 7.360 11.150 -0.730 1.00 0.00 C ATOM 1052 CE LYS A 66 6.326 11.023 -1.839 1.00 0.00 C ATOM 1053 NZ LYS A 66 6.713 9.998 -2.845 1.00 0.00 N ATOM 0 H LYS A 66 6.481 9.810 1.816 1.00 0.00 H new ATOM 0 HA LYS A 66 7.953 12.124 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.474 11.459 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.692 13.127 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.755 13.203 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.124 12.779 0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.361 11.145 -1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.294 10.286 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.361 10.760 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.203 11.987 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.982 9.943 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.622 10.261 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.806 9.073 -2.380 1.00 0.00 H new ATOM 1067 N LEU A 67 5.007 11.743 3.992 1.00 0.00 N ATOM 1068 CA LEU A 67 4.207 12.164 5.136 1.00 0.00 C ATOM 1069 C LEU A 67 5.048 12.188 6.408 1.00 0.00 C ATOM 1070 O LEU A 67 5.206 13.233 7.040 1.00 0.00 O ATOM 1071 CB LEU A 67 3.011 11.229 5.318 1.00 0.00 C ATOM 1072 CG LEU A 67 2.133 11.014 4.085 1.00 0.00 C ATOM 1073 CD1 LEU A 67 1.028 10.014 4.384 1.00 0.00 C ATOM 1074 CD2 LEU A 67 1.545 12.336 3.612 1.00 0.00 C ATOM 0 H LEU A 67 4.568 11.029 3.411 1.00 0.00 H new ATOM 0 HA LEU A 67 3.844 13.174 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.381 10.259 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.386 11.623 6.120 1.00 0.00 H new ATOM 0 HG LEU A 67 2.755 10.609 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.414 9.874 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.469 9.060 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.408 10.390 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.923 12.164 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.938 12.770 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.352 13.022 3.356 1.00 0.00 H new ATOM 1086 N ARG A 68 5.585 11.030 6.778 1.00 0.00 N ATOM 1087 CA ARG A 68 6.411 10.919 7.974 1.00 0.00 C ATOM 1088 C ARG A 68 7.599 11.874 7.907 1.00 0.00 C ATOM 1089 O ARG A 68 7.916 12.556 8.881 1.00 0.00 O ATOM 1090 CB ARG A 68 6.907 9.481 8.146 1.00 0.00 C ATOM 1091 CG ARG A 68 7.678 9.253 9.436 1.00 0.00 C ATOM 1092 CD ARG A 68 8.244 7.843 9.503 1.00 0.00 C ATOM 1093 NE ARG A 68 8.838 7.554 10.805 1.00 0.00 N ATOM 1094 CZ ARG A 68 9.590 6.485 11.049 1.00 0.00 C ATOM 1095 NH1 ARG A 68 9.836 5.610 10.085 1.00 0.00 N ATOM 1096 NH2 ARG A 68 10.095 6.293 12.260 1.00 0.00 N ATOM 0 H ARG A 68 5.463 10.156 6.267 1.00 0.00 H new ATOM 0 HA ARG A 68 5.798 11.190 8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.052 8.805 8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.545 9.222 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.490 9.976 9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.021 9.424 10.289 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.451 7.124 9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.997 7.717 8.725 1.00 0.00 H new ATOM 0 HE ARG A 68 8.667 8.208 11.569 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.448 5.756 9.153 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.413 4.791 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.906 6.965 13.004 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.672 5.473 12.448 1.00 0.00 H new ATOM 1110 N ASP A 69 8.252 11.915 6.752 1.00 0.00 N ATOM 1111 CA ASP A 69 9.405 12.787 6.555 1.00 0.00 C ATOM 1112 C ASP A 69 9.061 14.230 6.910 1.00 0.00 C ATOM 1113 O ASP A 69 9.815 14.903 7.613 1.00 0.00 O ATOM 1114 CB ASP A 69 9.893 12.706 5.108 1.00 0.00 C ATOM 1115 CG ASP A 69 10.904 11.596 4.899 1.00 0.00 C ATOM 1116 OD1 ASP A 69 11.920 11.574 5.625 1.00 0.00 O ATOM 1117 OD2 ASP A 69 10.679 10.749 4.010 1.00 0.00 O ATOM 0 H ASP A 69 8.003 11.355 5.937 1.00 0.00 H new ATOM 0 HA ASP A 69 10.202 12.449 7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.040 12.545 4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.340 13.659 4.825 1.00 0.00 H new ATOM 1122 N SER A 70 7.920 14.699 6.418 1.00 0.00 N ATOM 1123 CA SER A 70 7.479 16.064 6.679 1.00 0.00 C ATOM 1124 C SER A 70 7.560 16.387 8.168 1.00 0.00 C ATOM 1125 O SER A 70 8.157 17.387 8.566 1.00 0.00 O ATOM 1126 CB SER A 70 6.046 16.264 6.179 1.00 0.00 C ATOM 1127 OG SER A 70 5.951 16.009 4.789 1.00 0.00 O ATOM 0 H SER A 70 7.284 14.154 5.836 1.00 0.00 H new ATOM 0 HA SER A 70 8.142 16.742 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.372 15.600 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.724 17.284 6.388 1.00 0.00 H new ATOM 0 HG SER A 70 6.083 15.052 4.622 1.00 0.00 H new ATOM 1133 N MET A 71 6.954 15.532 8.986 1.00 0.00 N ATOM 1134 CA MET A 71 6.960 15.724 10.432 1.00 0.00 C ATOM 1135 C MET A 71 8.351 15.475 11.008 1.00 0.00 C ATOM 1136 O MET A 71 8.971 14.450 10.732 1.00 0.00 O ATOM 1137 CB MET A 71 5.946 14.791 11.096 1.00 0.00 C ATOM 1138 CG MET A 71 4.511 15.285 10.997 1.00 0.00 C ATOM 1139 SD MET A 71 4.244 16.825 11.896 1.00 0.00 S ATOM 1140 CE MET A 71 2.555 17.201 11.431 1.00 0.00 C ATOM 0 H MET A 71 6.453 14.701 8.673 1.00 0.00 H new ATOM 0 HA MET A 71 6.681 16.757 10.637 1.00 0.00 H new ATOM 0 HB2 MET A 71 6.015 13.806 10.635 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.209 14.671 12.147 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.253 15.431 9.948 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.840 14.520 11.387 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.244 18.130 11.910 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.492 17.312 10.349 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.900 16.391 11.751 1.00 0.00 H new ATOM 1150 N GLU A 72 8.831 16.421 11.809 1.00 0.00 N ATOM 1151 CA GLU A 72 10.148 16.303 12.424 1.00 0.00 C ATOM 1152 C GLU A 72 10.063 15.566 13.758 1.00 0.00 C ATOM 1153 O GLU A 72 8.974 15.226 14.221 1.00 0.00 O ATOM 1154 CB GLU A 72 10.764 17.688 12.633 1.00 0.00 C ATOM 1155 CG GLU A 72 9.971 18.571 13.582 1.00 0.00 C ATOM 1156 CD GLU A 72 10.249 20.046 13.376 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.918 20.567 12.288 1.00 0.00 O ATOM 1158 OE2 GLU A 72 10.797 20.682 14.301 1.00 0.00 O ATOM 0 H GLU A 72 8.329 17.276 12.047 1.00 0.00 H new ATOM 0 HA GLU A 72 10.784 15.728 11.751 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.776 17.571 13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.847 18.189 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.906 18.383 13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.211 18.300 14.610 1.00 0.00 H new ATOM 1165 N GLN A 73 11.218 15.324 14.369 1.00 0.00 N ATOM 1166 CA GLN A 73 11.274 14.627 15.648 1.00 0.00 C ATOM 1167 C GLN A 73 11.457 15.613 16.797 1.00 0.00 C ATOM 1168 O GLN A 73 11.995 16.704 16.613 1.00 0.00 O ATOM 1169 CB GLN A 73 12.415 13.608 15.648 1.00 0.00 C ATOM 1170 CG GLN A 73 12.058 12.294 14.974 1.00 0.00 C ATOM 1171 CD GLN A 73 10.824 11.647 15.572 1.00 0.00 C ATOM 1172 OE1 GLN A 73 9.709 11.845 15.090 1.00 0.00 O ATOM 1173 NE2 GLN A 73 11.018 10.868 16.631 1.00 0.00 N ATOM 0 H GLN A 73 12.127 15.600 13.999 1.00 0.00 H new ATOM 0 HA GLN A 73 10.329 14.103 15.790 1.00 0.00 H new ATOM 0 HB2 GLN A 73 13.279 14.042 15.144 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.713 13.409 16.677 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.893 12.469 13.911 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.900 11.607 15.057 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.960 10.731 16.998 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.225 10.407 17.077 1.00 0.00 H new ATOM 1182 N ALA A 74 11.003 15.221 17.984 1.00 0.00 N ATOM 1183 CA ALA A 74 11.118 16.069 19.163 1.00 0.00 C ATOM 1184 C ALA A 74 12.429 15.813 19.898 1.00 0.00 C ATOM 1185 O ALA A 74 12.983 14.715 19.839 1.00 0.00 O ATOM 1186 CB ALA A 74 9.935 15.841 20.094 1.00 0.00 C ATOM 0 H ALA A 74 10.552 14.322 18.153 1.00 0.00 H new ATOM 0 HA ALA A 74 11.113 17.108 18.835 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.034 16.481 20.971 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.009 16.082 19.571 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.914 14.797 20.407 1.00 0.00 H new ATOM 1192 N VAL A 75 12.924 16.835 20.591 1.00 0.00 N ATOM 1193 CA VAL A 75 14.171 16.721 21.337 1.00 0.00 C ATOM 1194 C VAL A 75 13.907 16.616 22.834 1.00 0.00 C ATOM 1195 O VAL A 75 12.962 17.214 23.353 1.00 0.00 O ATOM 1196 CB VAL A 75 15.095 17.923 21.072 1.00 0.00 C ATOM 1197 CG1 VAL A 75 14.455 19.209 21.572 1.00 0.00 C ATOM 1198 CG2 VAL A 75 16.453 17.706 21.725 1.00 0.00 C ATOM 0 H VAL A 75 12.480 17.751 20.651 1.00 0.00 H new ATOM 0 HA VAL A 75 14.664 15.812 20.994 1.00 0.00 H new ATOM 0 HB VAL A 75 15.244 18.013 19.996 1.00 0.00 H new ATOM 0 HG11 VAL A 75 15.123 20.048 21.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.509 19.370 21.055 1.00 0.00 H new ATOM 0 HG13 VAL A 75 14.274 19.132 22.644 1.00 0.00 H new ATOM 0 HG21 VAL A 75 17.093 18.566 21.527 1.00 0.00 H new ATOM 0 HG22 VAL A 75 16.325 17.589 22.801 1.00 0.00 H new ATOM 0 HG23 VAL A 75 16.915 16.808 21.315 1.00 0.00 H new ATOM 1208 N LEU A 76 14.747 15.855 23.526 1.00 0.00 N ATOM 1209 CA LEU A 76 14.606 15.672 24.966 1.00 0.00 C ATOM 1210 C LEU A 76 15.178 16.867 25.726 1.00 0.00 C ATOM 1211 O LEU A 76 15.999 17.616 25.197 1.00 0.00 O ATOM 1212 CB LEU A 76 15.309 14.389 25.409 1.00 0.00 C ATOM 1213 CG LEU A 76 14.709 13.680 26.625 1.00 0.00 C ATOM 1214 CD1 LEU A 76 13.387 13.021 26.259 1.00 0.00 C ATOM 1215 CD2 LEU A 76 15.685 12.651 27.177 1.00 0.00 C ATOM 0 H LEU A 76 15.534 15.354 23.113 1.00 0.00 H new ATOM 0 HA LEU A 76 13.543 15.594 25.194 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.311 13.692 24.571 1.00 0.00 H new ATOM 0 HB3 LEU A 76 16.350 14.626 25.629 1.00 0.00 H new ATOM 0 HG LEU A 76 14.519 14.423 27.399 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.974 12.521 27.136 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.686 13.780 25.910 1.00 0.00 H new ATOM 0 HD13 LEU A 76 13.552 12.289 25.468 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.242 12.156 28.041 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.906 11.910 26.409 1.00 0.00 H new ATOM 0 HD23 LEU A 76 16.607 13.149 27.477 1.00 0.00 H new ATOM 1227 N ASP A 77 14.741 17.034 26.969 1.00 0.00 N ATOM 1228 CA ASP A 77 15.211 18.135 27.802 1.00 0.00 C ATOM 1229 C ASP A 77 16.735 18.139 27.888 1.00 0.00 C ATOM 1230 O ASP A 77 17.332 17.282 28.541 1.00 0.00 O ATOM 1231 CB ASP A 77 14.610 18.033 29.205 1.00 0.00 C ATOM 1232 CG ASP A 77 13.131 17.702 29.177 1.00 0.00 C ATOM 1233 OD1 ASP A 77 12.326 18.602 28.853 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.777 16.543 29.479 1.00 0.00 O ATOM 0 H ASP A 77 14.063 16.422 27.422 1.00 0.00 H new ATOM 0 HA ASP A 77 14.888 19.069 27.343 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.141 17.266 29.770 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.759 18.976 29.731 1.00 0.00 H new ATOM 1239 N SER A 78 17.357 19.106 27.224 1.00 0.00 N ATOM 1240 CA SER A 78 18.812 19.218 27.220 1.00 0.00 C ATOM 1241 C SER A 78 19.244 20.678 27.113 1.00 0.00 C ATOM 1242 O SER A 78 18.574 21.488 26.473 1.00 0.00 O ATOM 1243 CB SER A 78 19.404 18.411 26.065 1.00 0.00 C ATOM 1244 OG SER A 78 20.779 18.145 26.280 1.00 0.00 O ATOM 0 H SER A 78 16.877 19.824 26.681 1.00 0.00 H new ATOM 0 HA SER A 78 19.186 18.816 28.162 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.861 17.472 25.958 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.278 18.960 25.132 1.00 0.00 H new ATOM 0 HG SER A 78 21.133 17.626 25.528 1.00 0.00 H new ATOM 1250 N MET A 79 20.368 21.003 27.742 1.00 0.00 N ATOM 1251 CA MET A 79 20.890 22.366 27.714 1.00 0.00 C ATOM 1252 C MET A 79 21.527 22.677 26.364 1.00 0.00 C ATOM 1253 O MET A 79 22.630 22.219 26.067 1.00 0.00 O ATOM 1254 CB MET A 79 21.916 22.562 28.832 1.00 0.00 C ATOM 1255 CG MET A 79 22.271 24.018 29.083 1.00 0.00 C ATOM 1256 SD MET A 79 23.278 24.725 27.764 1.00 0.00 S ATOM 1257 CE MET A 79 24.888 24.755 28.547 1.00 0.00 C ATOM 0 H MET A 79 20.934 20.344 28.276 1.00 0.00 H new ATOM 0 HA MET A 79 20.057 23.052 27.868 1.00 0.00 H new ATOM 0 HB2 MET A 79 21.525 22.128 29.752 1.00 0.00 H new ATOM 0 HB3 MET A 79 22.824 22.013 28.581 1.00 0.00 H new ATOM 0 HG2 MET A 79 21.354 24.599 29.186 1.00 0.00 H new ATOM 0 HG3 MET A 79 22.808 24.099 30.028 1.00 0.00 H new ATOM 0 HE1 MET A 79 25.622 25.168 27.855 1.00 0.00 H new ATOM 0 HE2 MET A 79 24.845 25.375 29.443 1.00 0.00 H new ATOM 0 HE3 MET A 79 25.178 23.741 28.821 1.00 0.00 H new ATOM 1267 N GLY A 80 20.824 23.457 25.549 1.00 0.00 N ATOM 1268 CA GLY A 80 21.337 23.815 24.240 1.00 0.00 C ATOM 1269 C GLY A 80 20.278 24.442 23.354 1.00 0.00 C ATOM 1270 O GLY A 80 19.798 25.540 23.632 1.00 0.00 O ATOM 0 H GLY A 80 19.908 23.847 25.772 1.00 0.00 H new ATOM 0 HA2 GLY A 80 22.168 24.511 24.357 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.734 22.924 23.752 1.00 0.00 H new ATOM 1274 N SER A 81 19.914 23.743 22.284 1.00 0.00 N ATOM 1275 CA SER A 81 18.910 24.241 21.351 1.00 0.00 C ATOM 1276 C SER A 81 17.824 23.194 21.113 1.00 0.00 C ATOM 1277 O SER A 81 18.084 21.991 21.159 1.00 0.00 O ATOM 1278 CB SER A 81 19.563 24.627 20.023 1.00 0.00 C ATOM 1279 OG SER A 81 18.748 25.529 19.297 1.00 0.00 O ATOM 0 H SER A 81 20.299 22.830 22.042 1.00 0.00 H new ATOM 0 HA SER A 81 18.448 25.126 21.790 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.536 25.082 20.211 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.740 23.731 19.427 1.00 0.00 H new ATOM 0 HG SER A 81 19.189 25.761 18.453 1.00 0.00 H new ATOM 1285 N GLY A 82 16.606 23.662 20.858 1.00 0.00 N ATOM 1286 CA GLY A 82 15.500 22.754 20.615 1.00 0.00 C ATOM 1287 C GLY A 82 14.287 23.078 21.467 1.00 0.00 C ATOM 1288 O GLY A 82 14.422 23.519 22.608 1.00 0.00 O ATOM 0 H GLY A 82 16.366 24.652 20.815 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.223 22.797 19.562 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.821 21.732 20.818 1.00 0.00 H new ATOM 1292 N LYS A 83 13.101 22.862 20.910 1.00 0.00 N ATOM 1293 CA LYS A 83 11.859 23.134 21.625 1.00 0.00 C ATOM 1294 C LYS A 83 11.149 21.836 21.993 1.00 0.00 C ATOM 1295 O LYS A 83 11.293 20.823 21.309 1.00 0.00 O ATOM 1296 CB LYS A 83 10.937 24.009 20.771 1.00 0.00 C ATOM 1297 CG LYS A 83 11.398 25.452 20.663 1.00 0.00 C ATOM 1298 CD LYS A 83 10.426 26.288 19.847 1.00 0.00 C ATOM 1299 CE LYS A 83 9.211 26.691 20.670 1.00 0.00 C ATOM 1300 NZ LYS A 83 9.558 27.684 21.723 1.00 0.00 N ATOM 0 H LYS A 83 12.973 22.499 19.965 1.00 0.00 H new ATOM 0 HA LYS A 83 12.106 23.666 22.544 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.869 23.582 19.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.933 23.988 21.196 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.498 25.879 21.661 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.385 25.486 20.202 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.931 27.182 19.481 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.103 25.723 18.972 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.450 27.111 20.012 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.778 25.805 21.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.693 28.157 22.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.013 27.198 22.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.212 28.392 21.331 1.00 0.00 H new ATOM 1314 N SER A 84 10.378 21.874 23.076 1.00 0.00 N ATOM 1315 CA SER A 84 9.646 20.700 23.536 1.00 0.00 C ATOM 1316 C SER A 84 8.148 20.874 23.313 1.00 0.00 C ATOM 1317 O SER A 84 7.601 21.958 23.507 1.00 0.00 O ATOM 1318 CB SER A 84 9.927 20.446 25.018 1.00 0.00 C ATOM 1319 OG SER A 84 9.221 21.363 25.835 1.00 0.00 O ATOM 0 H SER A 84 10.244 22.706 23.651 1.00 0.00 H new ATOM 0 HA SER A 84 9.985 19.841 22.957 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.639 19.427 25.277 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.997 20.533 25.209 1.00 0.00 H new ATOM 0 HG SER A 84 9.416 21.179 26.778 1.00 0.00 H new ATOM 1325 N GLY A 85 7.488 19.794 22.904 1.00 0.00 N ATOM 1326 CA GLY A 85 6.058 19.845 22.661 1.00 0.00 C ATOM 1327 C GLY A 85 5.385 18.504 22.872 1.00 0.00 C ATOM 1328 O GLY A 85 4.845 17.904 21.944 1.00 0.00 O ATOM 0 H GLY A 85 7.919 18.885 22.737 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.606 20.583 23.324 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.878 20.181 21.640 1.00 0.00 H new ATOM 1332 N PRO A 86 5.413 18.015 24.122 1.00 0.00 N ATOM 1333 CA PRO A 86 4.807 16.729 24.480 1.00 0.00 C ATOM 1334 C PRO A 86 3.283 16.773 24.428 1.00 0.00 C ATOM 1335 O PRO A 86 2.635 17.302 25.330 1.00 0.00 O ATOM 1336 CB PRO A 86 5.284 16.501 25.917 1.00 0.00 C ATOM 1337 CG PRO A 86 5.555 17.867 26.448 1.00 0.00 C ATOM 1338 CD PRO A 86 6.038 18.678 25.277 1.00 0.00 C ATOM 0 HA PRO A 86 5.094 15.936 23.789 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.525 15.989 26.509 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.180 15.881 25.943 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.655 18.303 26.880 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.305 17.837 27.238 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.731 19.721 25.356 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.126 18.671 25.204 1.00 0.00 H new ATOM 1346 N SER A 87 2.716 16.212 23.364 1.00 0.00 N ATOM 1347 CA SER A 87 1.269 16.190 23.191 1.00 0.00 C ATOM 1348 C SER A 87 0.625 15.174 24.131 1.00 0.00 C ATOM 1349 O SER A 87 1.178 14.102 24.375 1.00 0.00 O ATOM 1350 CB SER A 87 0.911 15.857 21.741 1.00 0.00 C ATOM 1351 OG SER A 87 0.864 17.029 20.946 1.00 0.00 O ATOM 0 H SER A 87 3.238 15.767 22.609 1.00 0.00 H new ATOM 0 HA SER A 87 0.884 17.180 23.434 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.647 15.165 21.331 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.055 15.352 21.708 1.00 0.00 H new ATOM 0 HG SER A 87 0.635 16.790 20.024 1.00 0.00 H new ATOM 1357 N SER A 88 -0.547 15.520 24.653 1.00 0.00 N ATOM 1358 CA SER A 88 -1.265 14.641 25.570 1.00 0.00 C ATOM 1359 C SER A 88 -1.471 13.263 24.950 1.00 0.00 C ATOM 1360 O SER A 88 -1.786 12.298 25.646 1.00 0.00 O ATOM 1361 CB SER A 88 -2.616 15.253 25.941 1.00 0.00 C ATOM 1362 OG SER A 88 -3.308 15.701 24.788 1.00 0.00 O ATOM 0 H SER A 88 -1.020 16.402 24.457 1.00 0.00 H new ATOM 0 HA SER A 88 -0.665 14.528 26.473 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.221 14.515 26.468 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.465 16.088 26.625 1.00 0.00 H new ATOM 0 HG SER A 88 -4.169 16.086 25.053 1.00 0.00 H new ATOM 1368 N GLY A 89 -1.290 13.179 23.635 1.00 0.00 N ATOM 1369 CA GLY A 89 -1.462 11.914 22.942 1.00 0.00 C ATOM 1370 C GLY A 89 -2.729 11.875 22.111 1.00 0.00 C ATOM 1371 O GLY A 89 -3.682 11.178 22.455 1.00 0.00 O ATOM 0 H GLY A 89 -1.028 13.963 23.038 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.602 11.738 22.296 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.484 11.104 23.671 1.00 0.00 H new TER 1375 GLY A 89