USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 548 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 11 TYR OH : rot 180:sc= 0.934 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 139:sc= 1.08 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0761 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 32:sc= 0.455 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 138:sc= 0.765 USER MOD Single : A 12 MET CE :methyl -151:sc= -0.288 (180deg=-1.11) USER MOD Single : A 13 THR OG1 : rot 162:sc= 0.647 USER MOD Single : A 14 CYS SG : rot -33:sc= 0.0366 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 53:sc=-0.00356 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -46:sc= -0.394 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.85 X(o=-0.85,f=-0.86!) USER MOD Single : A 67 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 71 SER OG : rot 40:sc= 1.21 USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.647) USER MOD Single : A 75 SER OG : rot 180:sc= -0.274 USER MOD Single : A 78 SER OG : rot 180:sc=0.000569 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.965 1.904 21.485 1.00 0.00 N ATOM 2 CA GLY A 1 19.574 1.975 21.074 1.00 0.00 C ATOM 3 C GLY A 1 19.084 0.679 20.461 1.00 0.00 C ATOM 4 O GLY A 1 19.724 -0.363 20.600 1.00 0.00 O ATOM 0 H1 GLY A 1 21.046 2.178 22.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.314 0.932 21.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.533 2.551 20.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.956 2.222 21.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.452 2.783 20.353 1.00 0.00 H new ATOM 8 N SER A 2 17.943 0.742 19.781 1.00 0.00 N ATOM 9 CA SER A 2 17.364 -0.437 19.149 1.00 0.00 C ATOM 10 C SER A 2 17.396 -0.309 17.629 1.00 0.00 C ATOM 11 O SER A 2 16.598 0.420 17.039 1.00 0.00 O ATOM 12 CB SER A 2 15.924 -0.642 19.625 1.00 0.00 C ATOM 13 OG SER A 2 15.240 -1.566 18.797 1.00 0.00 O ATOM 0 H SER A 2 17.402 1.597 19.654 1.00 0.00 H new ATOM 0 HA SER A 2 17.961 -1.303 19.436 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.926 -1.003 20.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.397 0.312 19.623 1.00 0.00 H new ATOM 0 HG SER A 2 14.323 -1.681 19.123 1.00 0.00 H new ATOM 19 N SER A 3 18.324 -1.024 17.000 1.00 0.00 N ATOM 20 CA SER A 3 18.463 -0.989 15.549 1.00 0.00 C ATOM 21 C SER A 3 17.388 -1.839 14.879 1.00 0.00 C ATOM 22 O SER A 3 17.319 -3.049 15.088 1.00 0.00 O ATOM 23 CB SER A 3 19.851 -1.483 15.137 1.00 0.00 C ATOM 24 OG SER A 3 20.066 -2.817 15.566 1.00 0.00 O ATOM 0 H SER A 3 18.991 -1.634 17.473 1.00 0.00 H new ATOM 0 HA SER A 3 18.341 0.043 15.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.954 -1.425 14.053 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.614 -0.833 15.565 1.00 0.00 H new ATOM 0 HG SER A 3 19.216 -3.304 15.557 1.00 0.00 H new ATOM 30 N GLY A 4 16.550 -1.195 14.073 1.00 0.00 N ATOM 31 CA GLY A 4 15.489 -1.906 13.384 1.00 0.00 C ATOM 32 C GLY A 4 14.151 -1.771 14.083 1.00 0.00 C ATOM 33 O GLY A 4 13.540 -2.768 14.466 1.00 0.00 O ATOM 0 H GLY A 4 16.587 -0.193 13.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.403 -1.526 12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.752 -2.961 13.310 1.00 0.00 H new ATOM 37 N SER A 5 13.696 -0.533 14.252 1.00 0.00 N ATOM 38 CA SER A 5 12.424 -0.270 14.916 1.00 0.00 C ATOM 39 C SER A 5 11.273 -0.928 14.162 1.00 0.00 C ATOM 40 O SER A 5 10.822 -0.426 13.133 1.00 0.00 O ATOM 41 CB SER A 5 12.183 1.236 15.024 1.00 0.00 C ATOM 42 OG SER A 5 10.937 1.510 15.640 1.00 0.00 O ATOM 0 H SER A 5 14.189 0.303 13.938 1.00 0.00 H new ATOM 0 HA SER A 5 12.470 -0.696 15.918 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.986 1.696 15.600 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.207 1.684 14.030 1.00 0.00 H new ATOM 0 HG SER A 5 10.807 2.480 15.699 1.00 0.00 H new ATOM 48 N SER A 6 10.801 -2.057 14.683 1.00 0.00 N ATOM 49 CA SER A 6 9.704 -2.787 14.059 1.00 0.00 C ATOM 50 C SER A 6 8.421 -1.962 14.080 1.00 0.00 C ATOM 51 O SER A 6 8.259 -1.067 14.907 1.00 0.00 O ATOM 52 CB SER A 6 9.479 -4.121 14.774 1.00 0.00 C ATOM 53 OG SER A 6 10.579 -4.993 14.585 1.00 0.00 O ATOM 0 H SER A 6 11.162 -2.485 15.536 1.00 0.00 H new ATOM 0 HA SER A 6 9.973 -2.981 13.021 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.329 -3.945 15.839 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.570 -4.590 14.397 1.00 0.00 H new ATOM 0 HG SER A 6 10.411 -5.837 15.053 1.00 0.00 H new ATOM 59 N GLY A 7 7.510 -2.272 13.162 1.00 0.00 N ATOM 60 CA GLY A 7 6.253 -1.551 13.091 1.00 0.00 C ATOM 61 C GLY A 7 5.903 -1.132 11.677 1.00 0.00 C ATOM 62 O GLY A 7 5.486 0.002 11.444 1.00 0.00 O ATOM 0 H GLY A 7 7.621 -3.010 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.455 -2.178 13.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.309 -0.666 13.725 1.00 0.00 H new ATOM 66 N ALA A 8 6.076 -2.049 10.730 1.00 0.00 N ATOM 67 CA ALA A 8 5.776 -1.768 9.331 1.00 0.00 C ATOM 68 C ALA A 8 4.762 -2.763 8.777 1.00 0.00 C ATOM 69 O ALA A 8 4.567 -3.843 9.335 1.00 0.00 O ATOM 70 CB ALA A 8 7.051 -1.794 8.502 1.00 0.00 C ATOM 0 H ALA A 8 6.422 -2.992 10.906 1.00 0.00 H new ATOM 0 HA ALA A 8 5.338 -0.772 9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.812 -1.583 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.743 -1.040 8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.513 -2.779 8.576 1.00 0.00 H new ATOM 76 N THR A 9 4.117 -2.392 7.675 1.00 0.00 N ATOM 77 CA THR A 9 3.122 -3.251 7.046 1.00 0.00 C ATOM 78 C THR A 9 3.495 -3.558 5.601 1.00 0.00 C ATOM 79 O THR A 9 3.597 -2.655 4.771 1.00 0.00 O ATOM 80 CB THR A 9 1.723 -2.607 7.078 1.00 0.00 C ATOM 81 OG1 THR A 9 1.254 -2.520 8.428 1.00 0.00 O ATOM 82 CG2 THR A 9 0.737 -3.412 6.244 1.00 0.00 C ATOM 0 H THR A 9 4.266 -1.502 7.200 1.00 0.00 H new ATOM 0 HA THR A 9 3.100 -4.179 7.617 1.00 0.00 H new ATOM 0 HB THR A 9 1.799 -1.605 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.365 -2.108 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.244 -2.938 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.081 -3.451 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.666 -4.425 6.641 1.00 0.00 H new ATOM 90 N SER A 10 3.697 -4.839 5.306 1.00 0.00 N ATOM 91 CA SER A 10 4.062 -5.264 3.960 1.00 0.00 C ATOM 92 C SER A 10 2.824 -5.402 3.079 1.00 0.00 C ATOM 93 O SER A 10 1.854 -6.062 3.451 1.00 0.00 O ATOM 94 CB SER A 10 4.817 -6.594 4.009 1.00 0.00 C ATOM 95 OG SER A 10 3.986 -7.634 4.495 1.00 0.00 O ATOM 0 H SER A 10 3.614 -5.599 5.981 1.00 0.00 H new ATOM 0 HA SER A 10 4.711 -4.501 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.178 -6.848 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.693 -6.495 4.649 1.00 0.00 H new ATOM 0 HG SER A 10 4.130 -8.444 3.962 1.00 0.00 H new ATOM 101 N TYR A 11 2.866 -4.774 1.909 1.00 0.00 N ATOM 102 CA TYR A 11 1.747 -4.823 0.975 1.00 0.00 C ATOM 103 C TYR A 11 2.095 -5.666 -0.248 1.00 0.00 C ATOM 104 O TYR A 11 3.230 -6.118 -0.401 1.00 0.00 O ATOM 105 CB TYR A 11 1.357 -3.410 0.539 1.00 0.00 C ATOM 106 CG TYR A 11 0.871 -2.539 1.676 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.712 -2.205 2.730 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.429 -2.049 1.694 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.271 -1.410 3.771 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.878 -1.252 2.730 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.024 -0.936 3.766 1.00 0.00 C ATOM 112 OH TYR A 11 -0.466 -0.142 4.800 1.00 0.00 O ATOM 0 H TYR A 11 3.662 -4.225 1.585 1.00 0.00 H new ATOM 0 HA TYR A 11 0.902 -5.285 1.485 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.217 -2.933 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.575 -3.475 -0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.727 -2.573 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.100 -2.295 0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.937 -1.161 4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.891 -0.879 2.728 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.401 0.108 4.644 1.00 0.00 H new ATOM 122 N MET A 12 1.111 -5.873 -1.116 1.00 0.00 N ATOM 123 CA MET A 12 1.312 -6.660 -2.327 1.00 0.00 C ATOM 124 C MET A 12 1.032 -5.823 -3.572 1.00 0.00 C ATOM 125 O MET A 12 -0.047 -5.249 -3.718 1.00 0.00 O ATOM 126 CB MET A 12 0.409 -7.895 -2.315 1.00 0.00 C ATOM 127 CG MET A 12 1.015 -9.083 -1.586 1.00 0.00 C ATOM 128 SD MET A 12 2.511 -9.698 -2.383 1.00 0.00 S ATOM 129 CE MET A 12 1.917 -9.975 -4.050 1.00 0.00 C ATOM 0 H MET A 12 0.166 -5.507 -1.003 1.00 0.00 H new ATOM 0 HA MET A 12 2.353 -6.981 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.540 -7.637 -1.846 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.188 -8.184 -3.343 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.246 -8.795 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.280 -9.886 -1.534 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.487 -10.783 -4.510 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.862 -10.246 -4.020 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.041 -9.065 -4.636 1.00 0.00 H new ATOM 139 N THR A 13 2.012 -5.758 -4.468 1.00 0.00 N ATOM 140 CA THR A 13 1.872 -4.990 -5.699 1.00 0.00 C ATOM 141 C THR A 13 0.890 -5.659 -6.655 1.00 0.00 C ATOM 142 O THR A 13 0.976 -6.861 -6.907 1.00 0.00 O ATOM 143 CB THR A 13 3.227 -4.818 -6.411 1.00 0.00 C ATOM 144 OG1 THR A 13 3.616 -6.050 -7.030 1.00 0.00 O ATOM 145 CG2 THR A 13 4.302 -4.376 -5.430 1.00 0.00 C ATOM 0 H THR A 13 2.911 -6.228 -4.364 1.00 0.00 H new ATOM 0 HA THR A 13 1.491 -4.008 -5.418 1.00 0.00 H new ATOM 0 HB THR A 13 3.115 -4.048 -7.174 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.301 -5.873 -7.708 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.250 -4.261 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.017 -3.423 -4.983 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.410 -5.126 -4.647 1.00 0.00 H new ATOM 153 N CYS A 14 -0.041 -4.873 -7.184 1.00 0.00 N ATOM 154 CA CYS A 14 -1.040 -5.390 -8.113 1.00 0.00 C ATOM 155 C CYS A 14 -0.648 -5.089 -9.556 1.00 0.00 C ATOM 156 O CYS A 14 -1.229 -5.635 -10.494 1.00 0.00 O ATOM 157 CB CYS A 14 -2.411 -4.785 -7.808 1.00 0.00 C ATOM 158 SG CYS A 14 -3.779 -5.576 -8.688 1.00 0.00 S ATOM 0 H CYS A 14 -0.125 -3.876 -6.986 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.092 -6.472 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.596 -4.852 -6.736 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.394 -3.725 -8.063 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.371 -5.974 -9.856 1.00 0.00 H new ATOM 164 N SER A 15 0.341 -4.217 -9.726 1.00 0.00 N ATOM 165 CA SER A 15 0.807 -3.840 -11.055 1.00 0.00 C ATOM 166 C SER A 15 2.267 -3.399 -11.013 1.00 0.00 C ATOM 167 O SER A 15 2.800 -3.076 -9.951 1.00 0.00 O ATOM 168 CB SER A 15 -0.061 -2.715 -11.622 1.00 0.00 C ATOM 169 OG SER A 15 -0.049 -2.728 -13.039 1.00 0.00 O ATOM 0 H SER A 15 0.835 -3.759 -8.960 1.00 0.00 H new ATOM 0 HA SER A 15 0.727 -4.713 -11.703 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.084 -2.824 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.303 -1.753 -11.261 1.00 0.00 H new ATOM 0 HG SER A 15 -0.612 -2.001 -13.378 1.00 0.00 H new ATOM 175 N ALA A 16 2.909 -3.389 -12.177 1.00 0.00 N ATOM 176 CA ALA A 16 4.307 -2.987 -12.275 1.00 0.00 C ATOM 177 C ALA A 16 4.439 -1.468 -12.317 1.00 0.00 C ATOM 178 O ALA A 16 3.893 -0.812 -13.204 1.00 0.00 O ATOM 179 CB ALA A 16 4.950 -3.609 -13.505 1.00 0.00 C ATOM 0 H ALA A 16 2.483 -3.655 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 16 4.826 -3.346 -11.387 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.994 -3.300 -13.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.897 -4.695 -13.434 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.421 -3.278 -14.399 1.00 0.00 H new ATOM 185 N TYR A 17 5.167 -0.915 -11.353 1.00 0.00 N ATOM 186 CA TYR A 17 5.368 0.527 -11.279 1.00 0.00 C ATOM 187 C TYR A 17 6.728 0.917 -11.849 1.00 0.00 C ATOM 188 O TYR A 17 7.665 0.119 -11.850 1.00 0.00 O ATOM 189 CB TYR A 17 5.254 1.005 -9.831 1.00 0.00 C ATOM 190 CG TYR A 17 5.825 2.386 -9.602 1.00 0.00 C ATOM 191 CD1 TYR A 17 7.180 2.567 -9.353 1.00 0.00 C ATOM 192 CD2 TYR A 17 5.010 3.511 -9.637 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.706 3.827 -9.143 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.527 4.775 -9.429 1.00 0.00 C ATOM 195 CZ TYR A 17 6.876 4.928 -9.182 1.00 0.00 C ATOM 196 OH TYR A 17 7.396 6.185 -8.974 1.00 0.00 O ATOM 0 H TYR A 17 5.628 -1.444 -10.612 1.00 0.00 H new ATOM 0 HA TYR A 17 4.593 1.008 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.204 1.002 -9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.768 0.296 -9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.833 1.708 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.954 3.395 -9.830 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.761 3.949 -8.949 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.879 5.639 -9.460 1.00 0.00 H new ATOM 0 HH TYR A 17 8.147 6.334 -9.586 1.00 0.00 H new ATOM 206 N GLN A 18 6.827 2.151 -12.334 1.00 0.00 N ATOM 207 CA GLN A 18 8.072 2.648 -12.907 1.00 0.00 C ATOM 208 C GLN A 18 8.600 3.838 -12.113 1.00 0.00 C ATOM 209 O GLN A 18 7.831 4.679 -11.647 1.00 0.00 O ATOM 210 CB GLN A 18 7.861 3.049 -14.368 1.00 0.00 C ATOM 211 CG GLN A 18 9.126 2.971 -15.209 1.00 0.00 C ATOM 212 CD GLN A 18 8.997 3.710 -16.526 1.00 0.00 C ATOM 213 OE1 GLN A 18 8.236 3.306 -17.406 1.00 0.00 O ATOM 214 NE2 GLN A 18 9.741 4.801 -16.669 1.00 0.00 N ATOM 0 H GLN A 18 6.061 2.824 -12.341 1.00 0.00 H new ATOM 0 HA GLN A 18 8.809 1.847 -12.860 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.102 2.402 -14.808 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.473 4.067 -14.404 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.960 3.387 -14.644 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.364 1.925 -15.405 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.358 5.100 -15.914 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.695 5.340 -17.534 1.00 0.00 H new ATOM 223 N LYS A 19 9.919 3.904 -11.961 1.00 0.00 N ATOM 224 CA LYS A 19 10.552 4.991 -11.224 1.00 0.00 C ATOM 225 C LYS A 19 10.910 6.144 -12.156 1.00 0.00 C ATOM 226 O LYS A 19 11.321 5.929 -13.296 1.00 0.00 O ATOM 227 CB LYS A 19 11.809 4.487 -10.511 1.00 0.00 C ATOM 228 CG LYS A 19 12.867 3.945 -11.455 1.00 0.00 C ATOM 229 CD LYS A 19 13.824 5.035 -11.906 1.00 0.00 C ATOM 230 CE LYS A 19 14.842 5.366 -10.826 1.00 0.00 C ATOM 231 NZ LYS A 19 16.022 4.458 -10.879 1.00 0.00 N ATOM 0 H LYS A 19 10.571 3.216 -12.339 1.00 0.00 H new ATOM 0 HA LYS A 19 9.842 5.355 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.237 5.302 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.528 3.705 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.426 3.151 -10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.385 3.500 -12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.342 4.714 -12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.260 5.932 -12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.172 6.398 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.370 5.291 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.693 4.716 -10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.710 3.475 -10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.488 4.548 -11.804 1.00 0.00 H new ATOM 245 N VAL A 20 10.753 7.368 -11.663 1.00 0.00 N ATOM 246 CA VAL A 20 11.063 8.555 -12.451 1.00 0.00 C ATOM 247 C VAL A 20 12.369 9.194 -11.992 1.00 0.00 C ATOM 248 O VAL A 20 13.096 9.784 -12.791 1.00 0.00 O ATOM 249 CB VAL A 20 9.934 9.599 -12.360 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.929 10.488 -13.595 1.00 0.00 C ATOM 251 CG2 VAL A 20 8.588 8.914 -12.180 1.00 0.00 C ATOM 0 H VAL A 20 10.413 7.564 -10.722 1.00 0.00 H new ATOM 0 HA VAL A 20 11.165 8.230 -13.486 1.00 0.00 H new ATOM 0 HB VAL A 20 10.114 10.229 -11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.125 11.219 -13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.885 11.006 -13.674 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.774 9.876 -14.483 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.802 9.667 -12.118 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.396 8.259 -13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.599 8.325 -11.263 1.00 0.00 H new ATOM 261 N GLN A 21 12.660 9.071 -10.701 1.00 0.00 N ATOM 262 CA GLN A 21 13.880 9.637 -10.136 1.00 0.00 C ATOM 263 C GLN A 21 14.718 8.558 -9.459 1.00 0.00 C ATOM 264 O GLN A 21 14.206 7.500 -9.090 1.00 0.00 O ATOM 265 CB GLN A 21 13.538 10.739 -9.132 1.00 0.00 C ATOM 266 CG GLN A 21 12.390 11.631 -9.575 1.00 0.00 C ATOM 267 CD GLN A 21 12.851 12.793 -10.432 1.00 0.00 C ATOM 268 OE1 GLN A 21 13.989 13.251 -10.318 1.00 0.00 O ATOM 269 NE2 GLN A 21 11.968 13.278 -11.297 1.00 0.00 N ATOM 0 H GLN A 21 12.069 8.585 -10.027 1.00 0.00 H new ATOM 0 HA GLN A 21 14.463 10.066 -10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.284 10.282 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.422 11.355 -8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.668 11.036 -10.134 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.874 12.016 -8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.036 12.868 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.222 14.060 -11.900 1.00 0.00 H new ATOM 278 N ASP A 22 16.008 8.831 -9.300 1.00 0.00 N ATOM 279 CA ASP A 22 16.918 7.883 -8.666 1.00 0.00 C ATOM 280 C ASP A 22 16.384 7.444 -7.306 1.00 0.00 C ATOM 281 O ASP A 22 16.715 6.363 -6.818 1.00 0.00 O ATOM 282 CB ASP A 22 18.306 8.505 -8.507 1.00 0.00 C ATOM 283 CG ASP A 22 19.412 7.469 -8.548 1.00 0.00 C ATOM 284 OD1 ASP A 22 19.143 6.301 -8.199 1.00 0.00 O ATOM 285 OD2 ASP A 22 20.547 7.827 -8.927 1.00 0.00 O ATOM 0 H ASP A 22 16.448 9.701 -9.601 1.00 0.00 H new ATOM 0 HA ASP A 22 16.994 7.005 -9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.467 9.236 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.353 9.045 -7.561 1.00 0.00 H new ATOM 290 N SER A 23 15.559 8.290 -6.699 1.00 0.00 N ATOM 291 CA SER A 23 14.983 7.992 -5.392 1.00 0.00 C ATOM 292 C SER A 23 13.932 6.892 -5.500 1.00 0.00 C ATOM 293 O SER A 23 13.914 5.955 -4.702 1.00 0.00 O ATOM 294 CB SER A 23 14.360 9.251 -4.786 1.00 0.00 C ATOM 295 OG SER A 23 15.357 10.110 -4.261 1.00 0.00 O ATOM 0 H SER A 23 15.274 9.188 -7.091 1.00 0.00 H new ATOM 0 HA SER A 23 15.784 7.643 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.785 9.778 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.663 8.972 -3.996 1.00 0.00 H new ATOM 0 HG SER A 23 14.934 10.908 -3.881 1.00 0.00 H new ATOM 301 N GLU A 24 13.057 7.013 -6.494 1.00 0.00 N ATOM 302 CA GLU A 24 12.001 6.030 -6.706 1.00 0.00 C ATOM 303 C GLU A 24 12.570 4.739 -7.288 1.00 0.00 C ATOM 304 O GLU A 24 13.667 4.728 -7.847 1.00 0.00 O ATOM 305 CB GLU A 24 10.929 6.594 -7.640 1.00 0.00 C ATOM 306 CG GLU A 24 10.264 7.855 -7.112 1.00 0.00 C ATOM 307 CD GLU A 24 9.753 8.753 -8.222 1.00 0.00 C ATOM 308 OE1 GLU A 24 9.046 8.246 -9.118 1.00 0.00 O ATOM 309 OE2 GLU A 24 10.059 9.963 -8.193 1.00 0.00 O ATOM 0 H GLU A 24 13.059 7.782 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 24 11.549 5.805 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.380 6.809 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.166 5.833 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.434 7.579 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.977 8.409 -6.501 1.00 0.00 H new ATOM 316 N ILE A 25 11.816 3.653 -7.152 1.00 0.00 N ATOM 317 CA ILE A 25 12.244 2.357 -7.664 1.00 0.00 C ATOM 318 C ILE A 25 11.090 1.626 -8.340 1.00 0.00 C ATOM 319 O ILE A 25 9.949 1.685 -7.881 1.00 0.00 O ATOM 320 CB ILE A 25 12.813 1.469 -6.542 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.759 -0.004 -6.952 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.044 1.692 -5.248 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.420 -0.656 -6.690 1.00 0.00 C ATOM 0 H ILE A 25 10.906 3.645 -6.692 1.00 0.00 H new ATOM 0 HA ILE A 25 13.028 2.549 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 25 13.855 1.743 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.992 -0.086 -8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.532 -0.551 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.458 1.057 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.128 2.737 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.994 1.442 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.455 -1.699 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.193 -0.606 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.645 -0.134 -7.251 1.00 0.00 H new ATOM 335 N SER A 26 11.394 0.934 -9.434 1.00 0.00 N ATOM 336 CA SER A 26 10.382 0.192 -10.176 1.00 0.00 C ATOM 337 C SER A 26 10.372 -1.276 -9.761 1.00 0.00 C ATOM 338 O SER A 26 11.423 -1.906 -9.638 1.00 0.00 O ATOM 339 CB SER A 26 10.636 0.306 -11.680 1.00 0.00 C ATOM 340 OG SER A 26 11.927 -0.171 -12.018 1.00 0.00 O ATOM 0 H SER A 26 12.334 0.872 -9.826 1.00 0.00 H new ATOM 0 HA SER A 26 9.408 0.624 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.881 -0.263 -12.223 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.537 1.346 -11.991 1.00 0.00 H new ATOM 0 HG SER A 26 12.063 -0.089 -12.985 1.00 0.00 H new ATOM 346 N PHE A 27 9.177 -1.815 -9.545 1.00 0.00 N ATOM 347 CA PHE A 27 9.028 -3.209 -9.143 1.00 0.00 C ATOM 348 C PHE A 27 8.029 -3.931 -10.042 1.00 0.00 C ATOM 349 O PHE A 27 7.085 -3.339 -10.565 1.00 0.00 O ATOM 350 CB PHE A 27 8.575 -3.295 -7.684 1.00 0.00 C ATOM 351 CG PHE A 27 7.508 -2.299 -7.328 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.180 -2.548 -7.631 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.835 -1.113 -6.691 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.196 -1.634 -7.305 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.856 -0.195 -6.362 1.00 0.00 C ATOM 356 CZ PHE A 27 5.535 -0.455 -6.671 1.00 0.00 C ATOM 0 H PHE A 27 8.297 -1.308 -9.642 1.00 0.00 H new ATOM 0 HA PHE A 27 9.998 -3.696 -9.244 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.203 -4.300 -7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.437 -3.140 -7.035 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.910 -3.468 -8.128 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.866 -0.904 -6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.164 -1.841 -7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.123 0.725 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.769 0.262 -6.417 1.00 0.00 H new ATOM 366 N PRO A 28 8.240 -5.243 -10.226 1.00 0.00 N ATOM 367 CA PRO A 28 7.369 -6.075 -11.061 1.00 0.00 C ATOM 368 C PRO A 28 5.994 -6.284 -10.436 1.00 0.00 C ATOM 369 O PRO A 28 5.760 -5.909 -9.287 1.00 0.00 O ATOM 370 CB PRO A 28 8.124 -7.404 -11.148 1.00 0.00 C ATOM 371 CG PRO A 28 8.966 -7.442 -9.919 1.00 0.00 C ATOM 372 CD PRO A 28 9.345 -6.015 -9.632 1.00 0.00 C ATOM 0 HA PRO A 28 7.174 -5.616 -12.030 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.436 -8.249 -11.183 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.736 -7.454 -12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.417 -7.876 -9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.852 -8.058 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.434 -5.830 -8.561 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.304 -5.756 -10.081 1.00 0.00 H new ATOM 380 N ALA A 29 5.087 -6.886 -11.199 1.00 0.00 N ATOM 381 CA ALA A 29 3.736 -7.147 -10.719 1.00 0.00 C ATOM 382 C ALA A 29 3.630 -8.541 -10.109 1.00 0.00 C ATOM 383 O ALA A 29 3.649 -9.544 -10.822 1.00 0.00 O ATOM 384 CB ALA A 29 2.733 -6.986 -11.851 1.00 0.00 C ATOM 0 H ALA A 29 5.264 -7.202 -12.153 1.00 0.00 H new ATOM 0 HA ALA A 29 3.507 -6.420 -9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.728 -7.184 -11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.782 -5.968 -12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.969 -7.690 -12.649 1.00 0.00 H new ATOM 390 N GLY A 30 3.518 -8.597 -8.786 1.00 0.00 N ATOM 391 CA GLY A 30 3.412 -9.873 -8.103 1.00 0.00 C ATOM 392 C GLY A 30 4.471 -10.048 -7.033 1.00 0.00 C ATOM 393 O GLY A 30 4.876 -11.170 -6.728 1.00 0.00 O ATOM 0 H GLY A 30 3.499 -7.781 -8.174 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.424 -9.958 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.499 -10.680 -8.831 1.00 0.00 H new ATOM 397 N VAL A 31 4.922 -8.936 -6.462 1.00 0.00 N ATOM 398 CA VAL A 31 5.942 -8.972 -5.420 1.00 0.00 C ATOM 399 C VAL A 31 5.467 -8.253 -4.162 1.00 0.00 C ATOM 400 O VAL A 31 4.519 -7.470 -4.204 1.00 0.00 O ATOM 401 CB VAL A 31 7.257 -8.330 -5.899 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.927 -9.203 -6.949 1.00 0.00 C ATOM 403 CG2 VAL A 31 7.000 -6.932 -6.442 1.00 0.00 C ATOM 0 H VAL A 31 4.598 -7.999 -6.703 1.00 0.00 H new ATOM 0 HA VAL A 31 6.122 -10.022 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 31 7.931 -8.246 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.855 -8.733 -7.275 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.147 -10.182 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.260 -9.321 -7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.940 -6.493 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.308 -6.989 -7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.568 -6.311 -5.658 1.00 0.00 H new ATOM 413 N GLU A 32 6.133 -8.526 -3.044 1.00 0.00 N ATOM 414 CA GLU A 32 5.778 -7.905 -1.773 1.00 0.00 C ATOM 415 C GLU A 32 6.803 -6.844 -1.381 1.00 0.00 C ATOM 416 O GLU A 32 8.007 -7.032 -1.559 1.00 0.00 O ATOM 417 CB GLU A 32 5.677 -8.963 -0.673 1.00 0.00 C ATOM 418 CG GLU A 32 5.216 -8.409 0.664 1.00 0.00 C ATOM 419 CD GLU A 32 5.666 -9.262 1.835 1.00 0.00 C ATOM 420 OE1 GLU A 32 6.880 -9.533 1.941 1.00 0.00 O ATOM 421 OE2 GLU A 32 4.802 -9.658 2.645 1.00 0.00 O ATOM 0 H GLU A 32 6.920 -9.172 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 32 4.808 -7.422 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.984 -9.742 -0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.651 -9.436 -0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.602 -7.397 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.128 -8.338 0.668 1.00 0.00 H new ATOM 428 N VAL A 33 6.317 -5.729 -0.846 1.00 0.00 N ATOM 429 CA VAL A 33 7.189 -4.638 -0.428 1.00 0.00 C ATOM 430 C VAL A 33 6.898 -4.222 1.009 1.00 0.00 C ATOM 431 O VAL A 33 5.854 -4.562 1.565 1.00 0.00 O ATOM 432 CB VAL A 33 7.035 -3.412 -1.347 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.686 -3.670 -2.697 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.566 -3.053 -1.515 1.00 0.00 C ATOM 0 H VAL A 33 5.323 -5.557 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 33 8.212 -5.007 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 33 7.542 -2.566 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.567 -2.792 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.747 -3.874 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.211 -4.529 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.476 -2.184 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.034 -3.895 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.134 -2.822 -0.541 1.00 0.00 H new ATOM 444 N GLN A 34 7.828 -3.483 1.606 1.00 0.00 N ATOM 445 CA GLN A 34 7.671 -3.020 2.980 1.00 0.00 C ATOM 446 C GLN A 34 7.510 -1.505 3.029 1.00 0.00 C ATOM 447 O GLN A 34 8.330 -0.765 2.484 1.00 0.00 O ATOM 448 CB GLN A 34 8.873 -3.445 3.824 1.00 0.00 C ATOM 449 CG GLN A 34 8.708 -4.809 4.475 1.00 0.00 C ATOM 450 CD GLN A 34 10.035 -5.496 4.735 1.00 0.00 C ATOM 451 OE1 GLN A 34 10.516 -6.274 3.911 1.00 0.00 O ATOM 452 NE2 GLN A 34 10.634 -5.211 5.885 1.00 0.00 N ATOM 0 H GLN A 34 8.698 -3.192 1.160 1.00 0.00 H new ATOM 0 HA GLN A 34 6.769 -3.476 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.762 -3.458 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.043 -2.699 4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.171 -4.695 5.417 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.095 -5.442 3.833 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.199 -4.560 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.529 -5.643 6.115 1.00 0.00 H new ATOM 461 N VAL A 35 6.448 -1.048 3.684 1.00 0.00 N ATOM 462 CA VAL A 35 6.180 0.380 3.805 1.00 0.00 C ATOM 463 C VAL A 35 6.887 0.971 5.019 1.00 0.00 C ATOM 464 O VAL A 35 6.381 0.904 6.141 1.00 0.00 O ATOM 465 CB VAL A 35 4.670 0.660 3.918 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.420 2.127 4.233 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.956 0.253 2.638 1.00 0.00 C ATOM 0 H VAL A 35 5.759 -1.646 4.139 1.00 0.00 H new ATOM 0 HA VAL A 35 6.563 0.851 2.900 1.00 0.00 H new ATOM 0 HB VAL A 35 4.268 0.064 4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.347 2.305 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.898 2.383 5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.835 2.746 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.890 0.458 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.360 0.821 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.106 -0.812 2.460 1.00 0.00 H new ATOM 477 N LEU A 36 8.060 1.552 4.790 1.00 0.00 N ATOM 478 CA LEU A 36 8.838 2.156 5.865 1.00 0.00 C ATOM 479 C LEU A 36 8.096 3.341 6.475 1.00 0.00 C ATOM 480 O LEU A 36 7.966 3.443 7.694 1.00 0.00 O ATOM 481 CB LEU A 36 10.202 2.609 5.342 1.00 0.00 C ATOM 482 CG LEU A 36 10.911 1.643 4.392 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.231 2.232 3.918 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.138 0.299 5.070 1.00 0.00 C ATOM 0 H LEU A 36 8.493 1.617 3.869 1.00 0.00 H new ATOM 0 HA LEU A 36 8.984 1.404 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.074 3.563 4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.854 2.791 6.196 1.00 0.00 H new ATOM 0 HG LEU A 36 10.273 1.486 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.721 1.530 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 36 12.044 3.169 3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.875 2.419 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.644 -0.376 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.755 0.439 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.178 -0.129 5.359 1.00 0.00 H new ATOM 496 N GLU A 37 7.609 4.233 5.617 1.00 0.00 N ATOM 497 CA GLU A 37 6.878 5.410 6.072 1.00 0.00 C ATOM 498 C GLU A 37 5.757 5.764 5.099 1.00 0.00 C ATOM 499 O GLU A 37 5.724 5.278 3.968 1.00 0.00 O ATOM 500 CB GLU A 37 7.828 6.599 6.228 1.00 0.00 C ATOM 501 CG GLU A 37 7.393 7.590 7.295 1.00 0.00 C ATOM 502 CD GLU A 37 8.498 8.554 7.680 1.00 0.00 C ATOM 503 OE1 GLU A 37 9.208 9.037 6.773 1.00 0.00 O ATOM 504 OE2 GLU A 37 8.651 8.827 8.889 1.00 0.00 O ATOM 0 H GLU A 37 7.708 4.163 4.604 1.00 0.00 H new ATOM 0 HA GLU A 37 6.435 5.179 7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.823 6.228 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.907 7.118 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.533 8.154 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.066 7.045 8.181 1.00 0.00 H new ATOM 511 N LYS A 38 4.840 6.615 5.547 1.00 0.00 N ATOM 512 CA LYS A 38 3.718 7.037 4.717 1.00 0.00 C ATOM 513 C LYS A 38 3.534 8.550 4.779 1.00 0.00 C ATOM 514 O LYS A 38 3.858 9.183 5.784 1.00 0.00 O ATOM 515 CB LYS A 38 2.433 6.338 5.168 1.00 0.00 C ATOM 516 CG LYS A 38 2.454 4.834 4.960 1.00 0.00 C ATOM 517 CD LYS A 38 1.212 4.173 5.534 1.00 0.00 C ATOM 518 CE LYS A 38 1.328 2.657 5.517 1.00 0.00 C ATOM 519 NZ LYS A 38 0.355 2.016 6.443 1.00 0.00 N ATOM 0 H LYS A 38 4.852 7.026 6.480 1.00 0.00 H new ATOM 0 HA LYS A 38 3.935 6.757 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.267 6.548 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.589 6.760 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.525 4.614 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.342 4.413 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.056 4.515 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.338 4.478 4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.160 2.291 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.341 2.367 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.050 1.172 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.841 1.740 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.406 2.688 6.666 1.00 0.00 H new ATOM 533 N GLN A 39 3.011 9.123 3.700 1.00 0.00 N ATOM 534 CA GLN A 39 2.784 10.561 3.633 1.00 0.00 C ATOM 535 C GLN A 39 1.311 10.869 3.385 1.00 0.00 C ATOM 536 O GLN A 39 0.727 10.404 2.407 1.00 0.00 O ATOM 537 CB GLN A 39 3.640 11.184 2.529 1.00 0.00 C ATOM 538 CG GLN A 39 5.114 11.291 2.889 1.00 0.00 C ATOM 539 CD GLN A 39 5.834 12.359 2.090 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.447 12.674 0.964 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.888 12.922 2.669 1.00 0.00 N ATOM 0 H GLN A 39 2.737 8.613 2.860 1.00 0.00 H new ATOM 0 HA GLN A 39 3.070 10.993 4.592 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.538 10.588 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.257 12.179 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.209 11.512 3.952 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.596 10.328 2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.173 12.630 3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.413 13.647 2.179 1.00 0.00 H new ATOM 550 N GLU A 40 0.717 11.656 4.277 1.00 0.00 N ATOM 551 CA GLU A 40 -0.689 12.024 4.154 1.00 0.00 C ATOM 552 C GLU A 40 -1.072 12.227 2.691 1.00 0.00 C ATOM 553 O GLU A 40 -2.129 11.779 2.247 1.00 0.00 O ATOM 554 CB GLU A 40 -0.976 13.299 4.950 1.00 0.00 C ATOM 555 CG GLU A 40 -2.400 13.380 5.474 1.00 0.00 C ATOM 556 CD GLU A 40 -2.858 14.808 5.697 1.00 0.00 C ATOM 557 OE1 GLU A 40 -3.366 15.425 4.737 1.00 0.00 O ATOM 558 OE2 GLU A 40 -2.709 15.310 6.831 1.00 0.00 O ATOM 0 H GLU A 40 1.187 12.051 5.092 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.289 11.209 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.284 13.356 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.781 14.165 4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.072 12.893 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.470 12.829 6.412 1.00 0.00 H new ATOM 565 N SER A 41 -0.204 12.905 1.947 1.00 0.00 N ATOM 566 CA SER A 41 -0.453 13.172 0.535 1.00 0.00 C ATOM 567 C SER A 41 -0.973 11.924 -0.171 1.00 0.00 C ATOM 568 O SER A 41 -2.010 11.958 -0.833 1.00 0.00 O ATOM 569 CB SER A 41 0.827 13.661 -0.147 1.00 0.00 C ATOM 570 OG SER A 41 1.085 15.019 0.166 1.00 0.00 O ATOM 0 H SER A 41 0.677 13.279 2.298 1.00 0.00 H new ATOM 0 HA SER A 41 -1.213 13.950 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.669 13.045 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.735 13.545 -1.227 1.00 0.00 H new ATOM 0 HG SER A 41 1.909 15.307 -0.280 1.00 0.00 H new ATOM 576 N GLY A 42 -0.245 10.821 -0.023 1.00 0.00 N ATOM 577 CA GLY A 42 -0.648 9.576 -0.652 1.00 0.00 C ATOM 578 C GLY A 42 0.535 8.702 -1.017 1.00 0.00 C ATOM 579 O GLY A 42 0.428 7.476 -1.033 1.00 0.00 O ATOM 0 H GLY A 42 0.616 10.767 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.306 9.028 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.224 9.796 -1.551 1.00 0.00 H new ATOM 583 N TRP A 43 1.666 9.333 -1.314 1.00 0.00 N ATOM 584 CA TRP A 43 2.874 8.604 -1.683 1.00 0.00 C ATOM 585 C TRP A 43 3.527 7.976 -0.457 1.00 0.00 C ATOM 586 O TRP A 43 3.836 8.666 0.515 1.00 0.00 O ATOM 587 CB TRP A 43 3.864 9.537 -2.382 1.00 0.00 C ATOM 588 CG TRP A 43 3.436 9.929 -3.764 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.521 10.886 -4.098 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.905 9.372 -4.997 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.393 10.958 -5.464 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.232 10.040 -6.038 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.829 8.376 -5.322 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.454 9.741 -7.380 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.049 8.080 -6.654 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.364 8.761 -7.670 1.00 0.00 C ATOM 0 H TRP A 43 1.771 10.348 -1.306 1.00 0.00 H new ATOM 0 HA TRP A 43 2.591 7.806 -2.369 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.992 10.437 -1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.837 9.049 -2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.978 11.497 -3.392 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.774 11.592 -5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.362 7.847 -4.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.927 10.264 -8.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.761 7.311 -6.917 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.558 8.507 -8.702 1.00 0.00 H new ATOM 607 N TRP A 44 3.734 6.665 -0.508 1.00 0.00 N ATOM 608 CA TRP A 44 4.351 5.945 0.600 1.00 0.00 C ATOM 609 C TRP A 44 5.754 5.476 0.230 1.00 0.00 C ATOM 610 O TRP A 44 6.043 5.215 -0.938 1.00 0.00 O ATOM 611 CB TRP A 44 3.488 4.747 1.001 1.00 0.00 C ATOM 612 CG TRP A 44 2.103 5.129 1.427 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.636 6.391 1.662 1.00 0.00 C ATOM 614 CD2 TRP A 44 1.006 4.242 1.671 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.316 6.342 2.037 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.095 5.035 2.050 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.846 2.855 1.605 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.336 4.485 2.361 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.386 2.311 1.915 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.464 3.125 2.288 1.00 0.00 C ATOM 0 H TRP A 44 3.484 6.079 -1.305 1.00 0.00 H new ATOM 0 HA TRP A 44 4.428 6.627 1.446 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.424 4.056 0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.977 4.213 1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.219 7.295 1.567 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.265 7.148 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.671 2.220 1.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.168 5.110 2.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.520 1.240 1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.415 2.670 2.522 1.00 0.00 H new ATOM 631 N TYR A 45 6.620 5.370 1.231 1.00 0.00 N ATOM 632 CA TYR A 45 7.994 4.934 1.010 1.00 0.00 C ATOM 633 C TYR A 45 8.121 3.423 1.184 1.00 0.00 C ATOM 634 O TYR A 45 8.090 2.911 2.303 1.00 0.00 O ATOM 635 CB TYR A 45 8.941 5.651 1.974 1.00 0.00 C ATOM 636 CG TYR A 45 10.370 5.712 1.486 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.664 6.093 0.182 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.427 5.387 2.327 1.00 0.00 C ATOM 639 CE1 TYR A 45 11.969 6.149 -0.268 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.735 5.441 1.886 1.00 0.00 C ATOM 641 CZ TYR A 45 13.001 5.823 0.587 1.00 0.00 C ATOM 642 OH TYR A 45 14.302 5.877 0.143 1.00 0.00 O ATOM 0 H TYR A 45 6.395 5.580 2.204 1.00 0.00 H new ATOM 0 HA TYR A 45 8.268 5.188 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.579 6.666 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.917 5.144 2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.859 6.350 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.222 5.087 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.180 6.447 -1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.544 5.186 2.554 1.00 0.00 H new ATOM 0 HH TYR A 45 14.367 5.441 -0.732 1.00 0.00 H new ATOM 652 N VAL A 46 8.264 2.715 0.069 1.00 0.00 N ATOM 653 CA VAL A 46 8.398 1.264 0.096 1.00 0.00 C ATOM 654 C VAL A 46 9.847 0.841 -0.120 1.00 0.00 C ATOM 655 O VAL A 46 10.661 1.615 -0.623 1.00 0.00 O ATOM 656 CB VAL A 46 7.515 0.599 -0.977 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.095 0.418 -0.463 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.528 1.417 -2.259 1.00 0.00 C ATOM 0 H VAL A 46 8.290 3.123 -0.865 1.00 0.00 H new ATOM 0 HA VAL A 46 8.070 0.934 1.082 1.00 0.00 H new ATOM 0 HB VAL A 46 7.923 -0.387 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.486 -0.053 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.107 -0.213 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.673 1.391 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.899 0.933 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.146 2.417 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.549 1.488 -2.635 1.00 0.00 H new ATOM 668 N ARG A 47 10.161 -0.392 0.264 1.00 0.00 N ATOM 669 CA ARG A 47 11.512 -0.918 0.114 1.00 0.00 C ATOM 670 C ARG A 47 11.497 -2.251 -0.629 1.00 0.00 C ATOM 671 O ARG A 47 10.842 -3.203 -0.203 1.00 0.00 O ATOM 672 CB ARG A 47 12.170 -1.092 1.484 1.00 0.00 C ATOM 673 CG ARG A 47 13.575 -1.668 1.416 1.00 0.00 C ATOM 674 CD ARG A 47 13.556 -3.188 1.451 1.00 0.00 C ATOM 675 NE ARG A 47 14.786 -3.738 2.014 1.00 0.00 N ATOM 676 CZ ARG A 47 14.902 -4.988 2.447 1.00 0.00 C ATOM 677 NH1 ARG A 47 13.867 -5.814 2.381 1.00 0.00 N ATOM 678 NH2 ARG A 47 16.054 -5.415 2.947 1.00 0.00 N ATOM 0 H ARG A 47 9.498 -1.045 0.681 1.00 0.00 H new ATOM 0 HA ARG A 47 12.091 -0.203 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.207 -0.125 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.548 -1.745 2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.064 -1.330 0.502 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.165 -1.291 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.704 -3.526 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.416 -3.572 0.441 1.00 0.00 H new ATOM 0 HE ARG A 47 15.601 -3.128 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.979 -5.490 1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.958 -6.774 2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.853 -4.783 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.141 -6.375 3.279 1.00 0.00 H new ATOM 692 N PHE A 48 12.223 -2.312 -1.740 1.00 0.00 N ATOM 693 CA PHE A 48 12.292 -3.528 -2.542 1.00 0.00 C ATOM 694 C PHE A 48 13.713 -4.084 -2.566 1.00 0.00 C ATOM 695 O PHE A 48 14.570 -3.595 -3.300 1.00 0.00 O ATOM 696 CB PHE A 48 11.817 -3.249 -3.970 1.00 0.00 C ATOM 697 CG PHE A 48 11.551 -4.494 -4.767 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.738 -5.496 -4.261 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.114 -4.664 -6.022 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.492 -6.643 -4.992 1.00 0.00 C ATOM 701 CE2 PHE A 48 11.871 -5.808 -6.757 1.00 0.00 C ATOM 702 CZ PHE A 48 11.058 -6.799 -6.242 1.00 0.00 C ATOM 0 H PHE A 48 12.772 -1.534 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 48 11.638 -4.272 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.907 -2.651 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.570 -2.652 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.292 -5.379 -3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.750 -3.893 -6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.857 -7.417 -4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.316 -5.928 -7.734 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.865 -7.694 -6.816 1.00 0.00 H new ATOM 712 N GLY A 49 13.954 -5.110 -1.756 1.00 0.00 N ATOM 713 CA GLY A 49 15.271 -5.716 -1.698 1.00 0.00 C ATOM 714 C GLY A 49 16.287 -4.830 -1.004 1.00 0.00 C ATOM 715 O GLY A 49 16.344 -4.786 0.225 1.00 0.00 O ATOM 0 H GLY A 49 13.260 -5.532 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.206 -6.669 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.613 -5.932 -2.710 1.00 0.00 H new ATOM 719 N GLU A 50 17.091 -4.124 -1.792 1.00 0.00 N ATOM 720 CA GLU A 50 18.111 -3.237 -1.245 1.00 0.00 C ATOM 721 C GLU A 50 17.910 -1.807 -1.738 1.00 0.00 C ATOM 722 O GLU A 50 18.863 -1.033 -1.838 1.00 0.00 O ATOM 723 CB GLU A 50 19.507 -3.730 -1.630 1.00 0.00 C ATOM 724 CG GLU A 50 19.942 -4.977 -0.878 1.00 0.00 C ATOM 725 CD GLU A 50 21.419 -5.276 -1.048 1.00 0.00 C ATOM 726 OE1 GLU A 50 21.790 -5.863 -2.085 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.203 -4.922 -0.142 1.00 0.00 O ATOM 0 H GLU A 50 17.056 -4.149 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 50 18.018 -3.245 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.528 -3.936 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 50 20.228 -2.934 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.720 -4.853 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.360 -5.829 -1.228 1.00 0.00 H new ATOM 734 N LEU A 51 16.665 -1.463 -2.045 1.00 0.00 N ATOM 735 CA LEU A 51 16.337 -0.126 -2.529 1.00 0.00 C ATOM 736 C LEU A 51 15.039 0.375 -1.906 1.00 0.00 C ATOM 737 O LEU A 51 14.192 -0.416 -1.492 1.00 0.00 O ATOM 738 CB LEU A 51 16.217 -0.130 -4.054 1.00 0.00 C ATOM 739 CG LEU A 51 17.422 -0.675 -4.821 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.068 -0.896 -6.284 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.607 0.270 -4.695 1.00 0.00 C ATOM 0 H LEU A 51 15.865 -2.091 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 51 17.142 0.548 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.341 -0.718 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.032 0.891 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 51 17.701 -1.635 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.938 -1.284 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.250 -1.612 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.763 0.050 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.455 -0.134 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.340 1.245 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.876 0.378 -3.644 1.00 0.00 H new ATOM 753 N GLU A 52 14.888 1.695 -1.845 1.00 0.00 N ATOM 754 CA GLU A 52 13.692 2.301 -1.274 1.00 0.00 C ATOM 755 C GLU A 52 13.169 3.422 -2.169 1.00 0.00 C ATOM 756 O GLU A 52 13.862 4.409 -2.413 1.00 0.00 O ATOM 757 CB GLU A 52 13.987 2.846 0.125 1.00 0.00 C ATOM 758 CG GLU A 52 14.519 1.797 1.087 1.00 0.00 C ATOM 759 CD GLU A 52 15.391 2.392 2.175 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.101 3.380 1.892 1.00 0.00 O ATOM 761 OE2 GLU A 52 15.364 1.871 3.310 1.00 0.00 O ATOM 0 H GLU A 52 15.579 2.364 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 52 12.925 1.530 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.713 3.655 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.075 3.276 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.681 1.271 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.094 1.057 0.530 1.00 0.00 H new ATOM 768 N GLY A 53 11.942 3.260 -2.654 1.00 0.00 N ATOM 769 CA GLY A 53 11.348 4.265 -3.517 1.00 0.00 C ATOM 770 C GLY A 53 9.951 4.655 -3.075 1.00 0.00 C ATOM 771 O GLY A 53 9.322 3.948 -2.288 1.00 0.00 O ATOM 0 H GLY A 53 11.349 2.452 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.983 5.151 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.310 3.886 -4.538 1.00 0.00 H new ATOM 775 N TRP A 54 9.467 5.784 -3.580 1.00 0.00 N ATOM 776 CA TRP A 54 8.136 6.268 -3.231 1.00 0.00 C ATOM 777 C TRP A 54 7.106 5.822 -4.263 1.00 0.00 C ATOM 778 O TRP A 54 7.078 6.329 -5.384 1.00 0.00 O ATOM 779 CB TRP A 54 8.139 7.793 -3.121 1.00 0.00 C ATOM 780 CG TRP A 54 8.875 8.301 -1.918 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.176 8.714 -1.868 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.354 8.447 -0.593 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.495 9.108 -0.591 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.394 8.955 0.210 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.110 8.200 -0.007 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.226 9.218 1.567 1.00 0.00 C ATOM 787 CZ3 TRP A 54 6.944 8.462 1.340 1.00 0.00 C ATOM 788 CH2 TRP A 54 7.997 8.967 2.115 1.00 0.00 C ATOM 0 H TRP A 54 9.976 6.381 -4.232 1.00 0.00 H new ATOM 0 HA TRP A 54 7.863 5.841 -2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.591 8.214 -4.019 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.110 8.149 -3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.854 8.729 -2.708 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.404 9.458 -0.288 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.293 7.811 -0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.037 9.606 2.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.987 8.274 1.803 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.836 9.162 3.165 1.00 0.00 H new ATOM 799 N ALA A 55 6.262 4.871 -3.878 1.00 0.00 N ATOM 800 CA ALA A 55 5.229 4.359 -4.770 1.00 0.00 C ATOM 801 C ALA A 55 3.840 4.768 -4.294 1.00 0.00 C ATOM 802 O ALA A 55 3.566 4.844 -3.096 1.00 0.00 O ATOM 803 CB ALA A 55 5.328 2.844 -4.877 1.00 0.00 C ATOM 0 H ALA A 55 6.273 4.439 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 55 5.388 4.793 -5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.551 2.475 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.307 2.570 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.198 2.400 -3.890 1.00 0.00 H new ATOM 809 N PRO A 56 2.941 5.039 -5.251 1.00 0.00 N ATOM 810 CA PRO A 56 1.565 5.446 -4.953 1.00 0.00 C ATOM 811 C PRO A 56 0.739 4.307 -4.364 1.00 0.00 C ATOM 812 O PRO A 56 0.763 3.185 -4.868 1.00 0.00 O ATOM 813 CB PRO A 56 1.011 5.855 -6.320 1.00 0.00 C ATOM 814 CG PRO A 56 1.827 5.089 -7.304 1.00 0.00 C ATOM 815 CD PRO A 56 3.199 4.969 -6.700 1.00 0.00 C ATOM 0 HA PRO A 56 1.528 6.241 -4.208 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.048 5.610 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.104 6.929 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.394 4.106 -7.488 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.867 5.605 -8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.680 4.031 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.856 5.774 -7.031 1.00 0.00 H new ATOM 823 N SER A 57 0.009 4.605 -3.293 1.00 0.00 N ATOM 824 CA SER A 57 -0.822 3.605 -2.633 1.00 0.00 C ATOM 825 C SER A 57 -1.863 3.042 -3.596 1.00 0.00 C ATOM 826 O SER A 57 -2.520 2.042 -3.303 1.00 0.00 O ATOM 827 CB SER A 57 -1.516 4.213 -1.412 1.00 0.00 C ATOM 828 OG SER A 57 -2.615 5.019 -1.800 1.00 0.00 O ATOM 0 H SER A 57 -0.023 5.530 -2.865 1.00 0.00 H new ATOM 0 HA SER A 57 -0.176 2.790 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.860 3.417 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.803 4.812 -0.845 1.00 0.00 H new ATOM 0 HG SER A 57 -3.043 5.395 -1.002 1.00 0.00 H new ATOM 834 N HIS A 58 -2.008 3.691 -4.747 1.00 0.00 N ATOM 835 CA HIS A 58 -2.969 3.256 -5.754 1.00 0.00 C ATOM 836 C HIS A 58 -2.555 1.917 -6.357 1.00 0.00 C ATOM 837 O HIS A 58 -3.402 1.110 -6.742 1.00 0.00 O ATOM 838 CB HIS A 58 -3.095 4.308 -6.857 1.00 0.00 C ATOM 839 CG HIS A 58 -3.218 5.708 -6.339 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.321 6.708 -6.651 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.141 6.272 -5.526 1.00 0.00 C ATOM 842 CE1 HIS A 58 -2.687 7.827 -6.052 1.00 0.00 C ATOM 843 NE2 HIS A 58 -3.788 7.590 -5.363 1.00 0.00 N ATOM 0 H HIS A 58 -1.472 4.520 -5.005 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.937 3.132 -5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.223 4.246 -7.508 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.967 4.078 -7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.996 5.778 -5.087 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.173 8.775 -6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.294 8.274 -4.801 1.00 0.00 H new ATOM 852 N TYR A 59 -1.249 1.688 -6.436 1.00 0.00 N ATOM 853 CA TYR A 59 -0.723 0.448 -6.994 1.00 0.00 C ATOM 854 C TYR A 59 -0.646 -0.641 -5.928 1.00 0.00 C ATOM 855 O TYR A 59 -0.688 -1.832 -6.236 1.00 0.00 O ATOM 856 CB TYR A 59 0.662 0.684 -7.599 1.00 0.00 C ATOM 857 CG TYR A 59 0.633 1.477 -8.886 1.00 0.00 C ATOM 858 CD1 TYR A 59 0.095 2.757 -8.924 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.144 0.947 -10.064 1.00 0.00 C ATOM 860 CE1 TYR A 59 0.066 3.486 -10.097 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.121 1.669 -11.242 1.00 0.00 C ATOM 862 CZ TYR A 59 0.580 2.938 -11.253 1.00 0.00 C ATOM 863 OH TYR A 59 0.554 3.659 -12.425 1.00 0.00 O ATOM 0 H TYR A 59 -0.535 2.345 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.403 0.115 -7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.282 1.209 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.137 -0.279 -7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.308 3.190 -8.020 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.567 -0.047 -10.059 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.357 4.480 -10.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.524 1.242 -12.149 1.00 0.00 H new ATOM 0 HH TYR A 59 0.956 3.129 -13.144 1.00 0.00 H new ATOM 873 N LEU A 60 -0.533 -0.222 -4.672 1.00 0.00 N ATOM 874 CA LEU A 60 -0.451 -1.160 -3.558 1.00 0.00 C ATOM 875 C LEU A 60 -1.839 -1.644 -3.150 1.00 0.00 C ATOM 876 O LEU A 60 -2.807 -0.884 -3.182 1.00 0.00 O ATOM 877 CB LEU A 60 0.244 -0.504 -2.364 1.00 0.00 C ATOM 878 CG LEU A 60 1.672 -0.013 -2.605 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.121 0.900 -1.475 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.624 -1.192 -2.750 1.00 0.00 C ATOM 0 H LEU A 60 -0.496 0.760 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 60 0.133 -2.021 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.360 0.343 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.261 -1.219 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 60 1.687 0.558 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.139 1.239 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.456 1.762 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.090 0.354 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.636 -0.824 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.604 -1.790 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.314 -1.808 -3.594 1.00 0.00 H new ATOM 892 N VAL A 61 -1.927 -2.913 -2.764 1.00 0.00 N ATOM 893 CA VAL A 61 -3.196 -3.498 -2.346 1.00 0.00 C ATOM 894 C VAL A 61 -3.334 -3.484 -0.828 1.00 0.00 C ATOM 895 O VAL A 61 -2.465 -3.981 -0.110 1.00 0.00 O ATOM 896 CB VAL A 61 -3.339 -4.946 -2.850 1.00 0.00 C ATOM 897 CG1 VAL A 61 -3.277 -4.992 -4.370 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.264 -5.832 -2.238 1.00 0.00 C ATOM 0 H VAL A 61 -1.135 -3.555 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.986 -2.888 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.312 -5.326 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.380 -6.023 -4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.087 -4.392 -4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.320 -4.594 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.380 -6.852 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.280 -5.456 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.361 -5.824 -1.152 1.00 0.00 H new ATOM 908 N LEU A 62 -4.431 -2.912 -0.345 1.00 0.00 N ATOM 909 CA LEU A 62 -4.685 -2.833 1.090 1.00 0.00 C ATOM 910 C LEU A 62 -5.686 -3.898 1.525 1.00 0.00 C ATOM 911 O LEU A 62 -6.889 -3.763 1.297 1.00 0.00 O ATOM 912 CB LEU A 62 -5.206 -1.443 1.460 1.00 0.00 C ATOM 913 CG LEU A 62 -4.307 -0.266 1.082 1.00 0.00 C ATOM 914 CD1 LEU A 62 -4.616 0.212 -0.328 1.00 0.00 C ATOM 915 CD2 LEU A 62 -4.469 0.870 2.081 1.00 0.00 C ATOM 0 H LEU A 62 -5.159 -2.496 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.745 -3.011 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.176 -1.302 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.374 -1.415 2.537 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.270 -0.602 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.966 1.050 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.447 -0.602 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.657 0.531 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.822 1.700 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.506 1.204 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.195 0.521 3.077 1.00 0.00 H new ATOM 927 N ASP A 63 -5.183 -4.954 2.154 1.00 0.00 N ATOM 928 CA ASP A 63 -6.034 -6.040 2.625 1.00 0.00 C ATOM 929 C ASP A 63 -7.211 -6.258 1.678 1.00 0.00 C ATOM 930 O ASP A 63 -8.306 -6.620 2.108 1.00 0.00 O ATOM 931 CB ASP A 63 -6.547 -5.741 4.034 1.00 0.00 C ATOM 932 CG ASP A 63 -5.576 -4.897 4.836 1.00 0.00 C ATOM 933 OD1 ASP A 63 -4.410 -5.317 4.989 1.00 0.00 O ATOM 934 OD2 ASP A 63 -5.982 -3.815 5.311 1.00 0.00 O ATOM 0 H ASP A 63 -4.190 -5.081 2.350 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.437 -6.951 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.504 -5.224 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.728 -6.679 4.559 1.00 0.00 H new ATOM 939 N GLU A 64 -6.976 -6.035 0.389 1.00 0.00 N ATOM 940 CA GLU A 64 -8.017 -6.205 -0.617 1.00 0.00 C ATOM 941 C GLU A 64 -8.302 -7.684 -0.861 1.00 0.00 C ATOM 942 O GLU A 64 -9.451 -8.121 -0.823 1.00 0.00 O ATOM 943 CB GLU A 64 -7.607 -5.530 -1.928 1.00 0.00 C ATOM 944 CG GLU A 64 -8.680 -5.584 -3.002 1.00 0.00 C ATOM 945 CD GLU A 64 -8.915 -6.989 -3.522 1.00 0.00 C ATOM 946 OE1 GLU A 64 -7.968 -7.582 -4.080 1.00 0.00 O ATOM 947 OE2 GLU A 64 -10.046 -7.495 -3.371 1.00 0.00 O ATOM 0 H GLU A 64 -6.074 -5.736 0.017 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.927 -5.734 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.357 -4.488 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.703 -6.008 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.613 -5.189 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.392 -4.937 -3.831 1.00 0.00 H new ATOM 954 N ASN A 65 -7.245 -8.450 -1.113 1.00 0.00 N ATOM 955 CA ASN A 65 -7.380 -9.880 -1.364 1.00 0.00 C ATOM 956 C ASN A 65 -6.688 -10.692 -0.274 1.00 0.00 C ATOM 957 O ASN A 65 -5.637 -10.300 0.232 1.00 0.00 O ATOM 958 CB ASN A 65 -6.792 -10.236 -2.732 1.00 0.00 C ATOM 959 CG ASN A 65 -5.395 -9.679 -2.924 1.00 0.00 C ATOM 960 OD1 ASN A 65 -4.585 -9.673 -1.997 1.00 0.00 O ATOM 961 ND2 ASN A 65 -5.108 -9.206 -4.131 1.00 0.00 N ATOM 0 H ASN A 65 -6.286 -8.104 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.442 -10.126 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.766 -11.320 -2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.444 -9.851 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.184 -8.817 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.811 -9.232 -4.869 1.00 0.00 H new ATOM 968 N GLU A 66 -7.285 -11.825 0.082 1.00 0.00 N ATOM 969 CA GLU A 66 -6.725 -12.692 1.113 1.00 0.00 C ATOM 970 C GLU A 66 -5.484 -13.416 0.599 1.00 0.00 C ATOM 971 O GLU A 66 -5.521 -14.070 -0.442 1.00 0.00 O ATOM 972 CB GLU A 66 -7.769 -13.711 1.575 1.00 0.00 C ATOM 973 CG GLU A 66 -7.524 -14.238 2.979 1.00 0.00 C ATOM 974 CD GLU A 66 -7.724 -13.177 4.044 1.00 0.00 C ATOM 975 OE1 GLU A 66 -8.851 -12.651 4.155 1.00 0.00 O ATOM 976 OE2 GLU A 66 -6.751 -12.872 4.766 1.00 0.00 O ATOM 0 H GLU A 66 -8.155 -12.164 -0.328 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.436 -12.069 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.756 -13.251 1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.780 -14.549 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.198 -15.073 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.508 -14.627 3.045 1.00 0.00 H new ATOM 983 N GLN A 67 -4.386 -13.293 1.339 1.00 0.00 N ATOM 984 CA GLN A 67 -3.133 -13.935 0.958 1.00 0.00 C ATOM 985 C GLN A 67 -3.388 -15.317 0.367 1.00 0.00 C ATOM 986 O GLN A 67 -4.286 -16.045 0.790 1.00 0.00 O ATOM 987 CB GLN A 67 -2.205 -14.047 2.168 1.00 0.00 C ATOM 988 CG GLN A 67 -1.338 -12.818 2.386 1.00 0.00 C ATOM 989 CD GLN A 67 -2.115 -11.649 2.958 1.00 0.00 C ATOM 990 OE1 GLN A 67 -2.259 -11.520 4.175 1.00 0.00 O ATOM 991 NE2 GLN A 67 -2.621 -10.788 2.083 1.00 0.00 N ATOM 0 H GLN A 67 -4.339 -12.755 2.205 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.654 -13.318 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.805 -14.221 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.561 -14.918 2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.520 -13.070 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.889 -12.522 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.478 -10.933 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.153 -9.982 2.410 1.00 0.00 H new ATOM 1000 N PRO A 68 -2.579 -15.690 -0.636 1.00 0.00 N ATOM 1001 CA PRO A 68 -2.697 -16.989 -1.307 1.00 0.00 C ATOM 1002 C PRO A 68 -2.277 -18.146 -0.407 1.00 0.00 C ATOM 1003 O PRO A 68 -1.810 -17.937 0.712 1.00 0.00 O ATOM 1004 CB PRO A 68 -1.741 -16.862 -2.496 1.00 0.00 C ATOM 1005 CG PRO A 68 -0.743 -15.840 -2.072 1.00 0.00 C ATOM 1006 CD PRO A 68 -1.487 -14.874 -1.192 1.00 0.00 C ATOM 0 HA PRO A 68 -3.726 -17.209 -1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.261 -17.814 -2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.269 -16.550 -3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.084 -16.302 -1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.315 -15.331 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.847 -14.471 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.869 -14.025 -1.760 1.00 0.00 H new ATOM 1014 N ASP A 69 -2.446 -19.366 -0.904 1.00 0.00 N ATOM 1015 CA ASP A 69 -2.084 -20.558 -0.145 1.00 0.00 C ATOM 1016 C ASP A 69 -0.873 -21.249 -0.765 1.00 0.00 C ATOM 1017 O ASP A 69 -0.996 -22.224 -1.506 1.00 0.00 O ATOM 1018 CB ASP A 69 -3.264 -21.528 -0.083 1.00 0.00 C ATOM 1019 CG ASP A 69 -4.504 -20.895 0.517 1.00 0.00 C ATOM 1020 OD1 ASP A 69 -4.409 -20.355 1.639 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -5.568 -20.939 -0.135 1.00 0.00 O ATOM 0 H ASP A 69 -2.831 -19.556 -1.829 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.825 -20.249 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.491 -21.883 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.983 -22.400 0.508 1.00 0.00 H new ATOM 1026 N PRO A 70 0.326 -20.733 -0.456 1.00 0.00 N ATOM 1027 CA PRO A 70 1.582 -21.284 -0.972 1.00 0.00 C ATOM 1028 C PRO A 70 1.906 -22.648 -0.373 1.00 0.00 C ATOM 1029 O PRO A 70 1.268 -23.083 0.586 1.00 0.00 O ATOM 1030 CB PRO A 70 2.626 -20.250 -0.543 1.00 0.00 C ATOM 1031 CG PRO A 70 2.033 -19.586 0.652 1.00 0.00 C ATOM 1032 CD PRO A 70 0.547 -19.571 0.422 1.00 0.00 C ATOM 0 HA PRO A 70 1.543 -21.449 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.577 -20.725 -0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.822 -19.531 -1.339 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.281 -20.129 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.420 -18.574 0.768 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.005 -19.663 1.357 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.223 -18.643 -0.050 1.00 0.00 H new ATOM 1040 N SER A 71 2.902 -23.319 -0.943 1.00 0.00 N ATOM 1041 CA SER A 71 3.308 -24.636 -0.467 1.00 0.00 C ATOM 1042 C SER A 71 4.625 -25.063 -1.109 1.00 0.00 C ATOM 1043 O SER A 71 5.113 -24.421 -2.038 1.00 0.00 O ATOM 1044 CB SER A 71 2.221 -25.669 -0.771 1.00 0.00 C ATOM 1045 OG SER A 71 1.295 -25.763 0.298 1.00 0.00 O ATOM 0 H SER A 71 3.443 -22.972 -1.735 1.00 0.00 H new ATOM 0 HA SER A 71 3.452 -24.577 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.698 -25.393 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.679 -26.643 -0.947 1.00 0.00 H new ATOM 0 HG SER A 71 1.111 -24.867 0.651 1.00 0.00 H new ATOM 1051 N GLY A 72 5.195 -26.154 -0.605 1.00 0.00 N ATOM 1052 CA GLY A 72 6.450 -26.649 -1.140 1.00 0.00 C ATOM 1053 C GLY A 72 7.649 -26.166 -0.348 1.00 0.00 C ATOM 1054 O GLY A 72 8.530 -25.496 -0.887 1.00 0.00 O ATOM 0 H GLY A 72 4.810 -26.703 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.435 -27.739 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.551 -26.329 -2.177 1.00 0.00 H new ATOM 1058 N LYS A 73 7.683 -26.504 0.936 1.00 0.00 N ATOM 1059 CA LYS A 73 8.782 -26.101 1.806 1.00 0.00 C ATOM 1060 C LYS A 73 9.622 -27.306 2.215 1.00 0.00 C ATOM 1061 O LYS A 73 9.087 -28.353 2.577 1.00 0.00 O ATOM 1062 CB LYS A 73 8.241 -25.396 3.052 1.00 0.00 C ATOM 1063 CG LYS A 73 8.092 -23.894 2.885 1.00 0.00 C ATOM 1064 CD LYS A 73 9.399 -23.170 3.162 1.00 0.00 C ATOM 1065 CE LYS A 73 9.645 -23.015 4.655 1.00 0.00 C ATOM 1066 NZ LYS A 73 8.572 -22.220 5.314 1.00 0.00 N ATOM 0 H LYS A 73 6.961 -27.057 1.398 1.00 0.00 H new ATOM 0 HA LYS A 73 9.417 -25.410 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.271 -25.823 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.908 -25.595 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.759 -23.671 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.321 -23.526 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.224 -23.722 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.378 -22.187 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.703 -24.000 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.608 -22.530 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.947 -21.780 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.240 -21.479 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.778 -22.845 5.561 1.00 0.00 H new ATOM 1080 N GLU A 74 10.941 -27.150 2.155 1.00 0.00 N ATOM 1081 CA GLU A 74 11.855 -28.226 2.520 1.00 0.00 C ATOM 1082 C GLU A 74 12.920 -27.729 3.492 1.00 0.00 C ATOM 1083 O GLU A 74 13.405 -26.603 3.377 1.00 0.00 O ATOM 1084 CB GLU A 74 12.520 -28.806 1.270 1.00 0.00 C ATOM 1085 CG GLU A 74 13.416 -27.818 0.543 1.00 0.00 C ATOM 1086 CD GLU A 74 14.214 -28.465 -0.573 1.00 0.00 C ATOM 1087 OE1 GLU A 74 13.600 -29.135 -1.429 1.00 0.00 O ATOM 1088 OE2 GLU A 74 15.452 -28.300 -0.589 1.00 0.00 O ATOM 0 H GLU A 74 11.400 -26.289 1.857 1.00 0.00 H new ATOM 0 HA GLU A 74 11.277 -29.008 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.110 -29.678 1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.746 -29.154 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.805 -27.015 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.101 -27.361 1.257 1.00 0.00 H new ATOM 1095 N SER A 75 13.280 -28.577 4.451 1.00 0.00 N ATOM 1096 CA SER A 75 14.285 -28.223 5.447 1.00 0.00 C ATOM 1097 C SER A 75 15.657 -28.758 5.048 1.00 0.00 C ATOM 1098 O SER A 75 16.608 -27.996 4.881 1.00 0.00 O ATOM 1099 CB SER A 75 13.890 -28.772 6.818 1.00 0.00 C ATOM 1100 OG SER A 75 13.843 -30.189 6.806 1.00 0.00 O ATOM 0 H SER A 75 12.891 -29.514 4.559 1.00 0.00 H new ATOM 0 HA SER A 75 14.340 -27.136 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.606 -28.435 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.916 -28.375 7.105 1.00 0.00 H new ATOM 0 HG SER A 75 13.590 -30.515 7.695 1.00 0.00 H new ATOM 1106 N GLY A 76 15.751 -30.076 4.897 1.00 0.00 N ATOM 1107 CA GLY A 76 17.009 -30.692 4.519 1.00 0.00 C ATOM 1108 C GLY A 76 17.925 -30.915 5.706 1.00 0.00 C ATOM 1109 O GLY A 76 18.812 -30.111 5.993 1.00 0.00 O ATOM 0 H GLY A 76 14.978 -30.728 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.811 -31.647 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 76 17.514 -30.061 3.788 1.00 0.00 H new ATOM 1113 N PRO A 77 17.712 -32.029 6.422 1.00 0.00 N ATOM 1114 CA PRO A 77 18.515 -32.381 7.597 1.00 0.00 C ATOM 1115 C PRO A 77 19.942 -32.772 7.228 1.00 0.00 C ATOM 1116 O PRO A 77 20.237 -33.058 6.068 1.00 0.00 O ATOM 1117 CB PRO A 77 17.769 -33.578 8.191 1.00 0.00 C ATOM 1118 CG PRO A 77 17.039 -34.179 7.039 1.00 0.00 C ATOM 1119 CD PRO A 77 16.672 -33.032 6.138 1.00 0.00 C ATOM 0 HA PRO A 77 18.619 -31.542 8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 77 18.460 -34.293 8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 77 17.081 -33.266 8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.664 -34.902 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 77 16.149 -34.711 7.375 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.675 -33.328 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 77 15.675 -32.651 6.359 1.00 0.00 H new ATOM 1127 N SER A 78 20.823 -32.782 8.223 1.00 0.00 N ATOM 1128 CA SER A 78 22.221 -33.135 8.003 1.00 0.00 C ATOM 1129 C SER A 78 22.560 -34.459 8.681 1.00 0.00 C ATOM 1130 O SER A 78 21.702 -35.093 9.294 1.00 0.00 O ATOM 1131 CB SER A 78 23.138 -32.030 8.530 1.00 0.00 C ATOM 1132 OG SER A 78 24.355 -31.989 7.806 1.00 0.00 O ATOM 0 H SER A 78 20.594 -32.550 9.189 1.00 0.00 H new ATOM 0 HA SER A 78 22.377 -33.245 6.930 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.633 -31.067 8.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 23.345 -32.198 9.587 1.00 0.00 H new ATOM 0 HG SER A 78 24.923 -31.273 8.161 1.00 0.00 H new ATOM 1138 N SER A 79 23.819 -34.871 8.564 1.00 0.00 N ATOM 1139 CA SER A 79 24.273 -36.121 9.162 1.00 0.00 C ATOM 1140 C SER A 79 24.430 -35.975 10.673 1.00 0.00 C ATOM 1141 O SER A 79 24.934 -34.965 11.161 1.00 0.00 O ATOM 1142 CB SER A 79 25.600 -36.557 8.539 1.00 0.00 C ATOM 1143 OG SER A 79 25.409 -37.049 7.224 1.00 0.00 O ATOM 0 H SER A 79 24.542 -34.357 8.061 1.00 0.00 H new ATOM 0 HA SER A 79 23.520 -36.884 8.965 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.290 -35.714 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 79 26.059 -37.329 9.156 1.00 0.00 H new ATOM 0 HG SER A 79 26.272 -37.319 6.847 1.00 0.00 H new ATOM 1149 N GLY A 80 23.995 -36.994 11.408 1.00 0.00 N ATOM 1150 CA GLY A 80 24.096 -36.960 12.856 1.00 0.00 C ATOM 1151 C GLY A 80 25.451 -37.423 13.353 1.00 0.00 C ATOM 1152 O GLY A 80 26.018 -36.830 14.271 1.00 0.00 O ATOM 0 H GLY A 80 23.575 -37.842 11.027 1.00 0.00 H new ATOM 0 HA2 GLY A 80 23.911 -35.944 13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.319 -37.592 13.286 1.00 0.00 H new TER 1156 GLY A 80