USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 640 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 9 TYR OH : rot 150:sc= 0.0746 USER MOD Set 1.2: A 13 CYS SG : rot -42:sc= 0.0672 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 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 19 TYR OH : rot -109:sc= 0.925 USER MOD Single : A 21 GLN : amide:sc= 0.858 K(o=0.86,f=-0.24) USER MOD Single : A 23 LYS NZ :NH3+ 160:sc= 0.873 (180deg=-0.0322) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= 0.996 (180deg=-0.876!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 55:sc= 0.157 USER MOD Single : A 37 CYS SG : rot 58:sc= 0.258 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 142:sc= 1.23 (180deg=0.319) USER MOD Single : A 58 HIS : no HE2:sc= -0.286 K(o=-0.29,f=-6.3!) USER MOD Single : A 59 SER OG : rot 82:sc= 1.61 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.89) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0.902 (180deg=0.715) USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00364) USER MOD Single : A 78 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0.778) USER MOD Single : A 86 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.38) USER MOD Single : A 87 CYS SG : rot 180:sc=-0.00246 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.806 1.142 -2.801 1.00 0.00 N ATOM 21 CA ALA A 2 4.540 2.334 -3.232 1.00 0.00 C ATOM 22 C ALA A 2 3.661 3.223 -4.141 1.00 0.00 C ATOM 23 O ALA A 2 2.694 2.750 -4.748 1.00 0.00 O ATOM 24 CB ALA A 2 5.813 1.883 -3.956 1.00 0.00 C ATOM 0 HA ALA A 2 4.810 2.937 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.374 2.758 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.428 1.292 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.544 1.278 -4.822 1.00 0.00 H new ATOM 30 N LEU A 3 4.000 4.509 -4.272 1.00 0.00 N ATOM 31 CA LEU A 3 3.246 5.486 -5.045 1.00 0.00 C ATOM 32 C LEU A 3 3.693 5.517 -6.509 1.00 0.00 C ATOM 33 O LEU A 3 4.810 5.910 -6.816 1.00 0.00 O ATOM 34 CB LEU A 3 3.394 6.886 -4.417 1.00 0.00 C ATOM 35 CG LEU A 3 2.069 7.636 -4.164 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.938 7.354 -5.160 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.535 7.204 -2.808 1.00 0.00 C ATOM 0 H LEU A 3 4.830 4.904 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 3 2.198 5.188 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.924 6.788 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.019 7.495 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 3 2.324 8.692 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.057 7.934 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.258 7.635 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.693 6.292 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.597 7.721 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.363 6.128 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.262 7.453 -2.035 1.00 0.00 H new ATOM 49 N ALA A 4 2.811 5.112 -7.407 1.00 0.00 N ATOM 50 CA ALA A 4 3.015 5.053 -8.848 1.00 0.00 C ATOM 51 C ALA A 4 2.951 6.452 -9.507 1.00 0.00 C ATOM 52 O ALA A 4 1.845 6.971 -9.683 1.00 0.00 O ATOM 53 CB ALA A 4 1.936 4.085 -9.367 1.00 0.00 C ATOM 0 H ALA A 4 1.879 4.797 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 4 4.013 4.696 -9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.025 3.988 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.070 3.108 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.949 4.473 -9.117 1.00 0.00 H new ATOM 59 N VAL A 5 4.078 7.053 -9.925 1.00 0.00 N ATOM 60 CA VAL A 5 4.149 8.371 -10.596 1.00 0.00 C ATOM 61 C VAL A 5 4.649 8.226 -12.049 1.00 0.00 C ATOM 62 O VAL A 5 5.409 7.318 -12.372 1.00 0.00 O ATOM 63 CB VAL A 5 5.021 9.379 -9.805 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.891 10.837 -10.273 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.785 9.420 -8.287 1.00 0.00 C ATOM 0 H VAL A 5 4.996 6.625 -9.803 1.00 0.00 H new ATOM 0 HA VAL A 5 3.137 8.774 -10.623 1.00 0.00 H new ATOM 0 HB VAL A 5 6.011 8.977 -10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.535 11.473 -9.665 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.190 10.912 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.856 11.162 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.447 10.159 -7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.749 9.692 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.991 8.439 -7.860 1.00 0.00 H new ATOM 75 N ARG A 6 4.193 9.114 -12.934 1.00 0.00 N ATOM 76 CA ARG A 6 4.388 9.212 -14.399 1.00 0.00 C ATOM 77 C ARG A 6 4.681 10.667 -14.818 1.00 0.00 C ATOM 78 O ARG A 6 4.199 11.574 -14.131 1.00 0.00 O ATOM 79 CB ARG A 6 3.072 8.732 -15.071 1.00 0.00 C ATOM 80 CG ARG A 6 3.172 7.546 -16.040 1.00 0.00 C ATOM 81 CD ARG A 6 3.984 6.357 -15.518 1.00 0.00 C ATOM 82 NE ARG A 6 3.456 5.832 -14.249 1.00 0.00 N ATOM 83 CZ ARG A 6 4.035 4.971 -13.431 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.060 4.235 -13.716 1.00 0.00 N ATOM 85 NH2 ARG A 6 3.586 4.819 -12.228 1.00 0.00 N ATOM 0 H ARG A 6 3.604 9.881 -12.609 1.00 0.00 H new ATOM 0 HA ARG A 6 5.237 8.600 -14.706 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.368 8.466 -14.283 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.642 9.575 -15.612 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.165 7.204 -16.278 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.620 7.893 -16.971 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.983 5.563 -16.265 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.021 6.662 -15.379 1.00 0.00 H new ATOM 0 HE ARG A 6 2.536 6.172 -13.968 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.489 4.293 -14.640 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.440 3.597 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.784 5.364 -11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.033 4.154 -11.597 1.00 0.00 H new ATOM 99 N VAL A 7 5.366 10.917 -15.945 1.00 0.00 N ATOM 100 CA VAL A 7 5.732 12.268 -16.451 1.00 0.00 C ATOM 101 C VAL A 7 5.790 12.288 -17.986 1.00 0.00 C ATOM 102 O VAL A 7 6.828 11.944 -18.551 1.00 0.00 O ATOM 103 CB VAL A 7 7.102 12.759 -15.900 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.417 14.187 -16.377 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.182 12.793 -14.372 1.00 0.00 C ATOM 0 H VAL A 7 5.695 10.168 -16.555 1.00 0.00 H new ATOM 0 HA VAL A 7 4.951 12.941 -16.097 1.00 0.00 H new ATOM 0 HB VAL A 7 7.817 12.031 -16.283 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.380 14.501 -15.975 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.454 14.207 -17.466 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.640 14.867 -16.028 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.167 13.146 -14.067 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.419 13.467 -13.983 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.017 11.791 -13.977 1.00 0.00 H new ATOM 115 N VAL A 8 4.747 12.736 -18.694 1.00 0.00 N ATOM 116 CA VAL A 8 4.712 12.679 -20.175 1.00 0.00 C ATOM 117 C VAL A 8 4.960 14.031 -20.845 1.00 0.00 C ATOM 118 O VAL A 8 4.200 14.979 -20.648 1.00 0.00 O ATOM 119 CB VAL A 8 3.440 11.979 -20.673 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.118 12.672 -20.340 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.492 11.690 -22.177 1.00 0.00 C ATOM 0 H VAL A 8 3.912 13.143 -18.273 1.00 0.00 H new ATOM 0 HA VAL A 8 5.558 12.065 -20.486 1.00 0.00 H new ATOM 0 HB VAL A 8 3.442 11.048 -20.106 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.290 12.088 -20.741 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.013 12.755 -19.258 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.108 13.668 -20.783 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.571 11.194 -22.484 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.600 12.627 -22.724 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.342 11.043 -22.394 1.00 0.00 H new ATOM 131 N TYR A 9 6.029 14.122 -21.644 1.00 0.00 N ATOM 132 CA TYR A 9 6.450 15.350 -22.338 1.00 0.00 C ATOM 133 C TYR A 9 7.050 15.076 -23.724 1.00 0.00 C ATOM 134 O TYR A 9 7.502 13.970 -24.025 1.00 0.00 O ATOM 135 CB TYR A 9 7.437 16.114 -21.431 1.00 0.00 C ATOM 136 CG TYR A 9 8.599 16.868 -22.051 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.438 18.189 -22.509 1.00 0.00 C ATOM 138 CD2 TYR A 9 9.871 16.261 -22.086 1.00 0.00 C ATOM 139 CE1 TYR A 9 9.549 18.921 -22.965 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.985 16.994 -22.525 1.00 0.00 C ATOM 141 CZ TYR A 9 10.824 18.320 -22.968 1.00 0.00 C ATOM 142 OH TYR A 9 11.908 19.008 -23.399 1.00 0.00 O ATOM 0 H TYR A 9 6.641 13.328 -21.832 1.00 0.00 H new ATOM 0 HA TYR A 9 5.568 15.963 -22.523 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.857 16.831 -20.850 1.00 0.00 H new ATOM 0 HB3 TYR A 9 7.854 15.395 -20.726 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.458 18.642 -22.510 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.988 15.233 -21.775 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.426 19.937 -23.311 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.965 16.540 -22.523 1.00 0.00 H new ATOM 0 HH TYR A 9 12.706 18.691 -22.926 1.00 0.00 H new ATOM 152 N SER A 10 7.112 16.129 -24.538 1.00 0.00 N ATOM 153 CA SER A 10 7.824 16.153 -25.824 1.00 0.00 C ATOM 154 C SER A 10 9.348 16.190 -25.645 1.00 0.00 C ATOM 155 O SER A 10 9.978 17.250 -25.663 1.00 0.00 O ATOM 156 CB SER A 10 7.348 17.307 -26.701 1.00 0.00 C ATOM 157 OG SER A 10 7.803 17.139 -28.029 1.00 0.00 O ATOM 0 H SER A 10 6.657 17.015 -24.319 1.00 0.00 H new ATOM 0 HA SER A 10 7.584 15.219 -26.333 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.259 17.357 -26.687 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.716 18.252 -26.301 1.00 0.00 H new ATOM 0 HG SER A 10 7.488 17.886 -28.580 1.00 0.00 H new ATOM 163 N GLY A 11 9.954 15.007 -25.508 1.00 0.00 N ATOM 164 CA GLY A 11 11.396 14.729 -25.446 1.00 0.00 C ATOM 165 C GLY A 11 12.174 15.030 -26.736 1.00 0.00 C ATOM 166 O GLY A 11 13.072 14.281 -27.108 1.00 0.00 O ATOM 0 H GLY A 11 9.407 14.149 -25.431 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.828 15.314 -24.634 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.537 13.678 -25.192 1.00 0.00 H new ATOM 170 N ALA A 12 11.836 16.124 -27.424 1.00 0.00 N ATOM 171 CA ALA A 12 12.536 16.648 -28.600 1.00 0.00 C ATOM 172 C ALA A 12 13.946 17.207 -28.288 1.00 0.00 C ATOM 173 O ALA A 12 14.701 17.531 -29.201 1.00 0.00 O ATOM 174 CB ALA A 12 11.640 17.722 -29.230 1.00 0.00 C ATOM 0 H ALA A 12 11.031 16.694 -27.165 1.00 0.00 H new ATOM 0 HA ALA A 12 12.713 15.826 -29.293 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.132 18.135 -30.111 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.688 17.277 -29.521 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.463 18.518 -28.507 1.00 0.00 H new ATOM 180 N CYS A 13 14.310 17.318 -27.008 1.00 0.00 N ATOM 181 CA CYS A 13 15.654 17.643 -26.535 1.00 0.00 C ATOM 182 C CYS A 13 16.039 16.790 -25.307 1.00 0.00 C ATOM 183 O CYS A 13 15.334 15.844 -24.946 1.00 0.00 O ATOM 184 CB CYS A 13 15.745 19.162 -26.299 1.00 0.00 C ATOM 185 SG CYS A 13 14.813 19.650 -24.819 1.00 0.00 S ATOM 0 H CYS A 13 13.649 17.178 -26.244 1.00 0.00 H new ATOM 0 HA CYS A 13 16.395 17.387 -27.292 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.789 19.454 -26.188 1.00 0.00 H new ATOM 0 HB3 CYS A 13 15.357 19.692 -27.169 1.00 0.00 H new ATOM 0 HG CYS A 13 13.678 19.016 -24.792 1.00 0.00 H new ATOM 191 N GLY A 14 17.181 17.111 -24.682 1.00 0.00 N ATOM 192 CA GLY A 14 17.802 16.418 -23.544 1.00 0.00 C ATOM 193 C GLY A 14 16.968 16.377 -22.257 1.00 0.00 C ATOM 194 O GLY A 14 17.358 16.938 -21.235 1.00 0.00 O ATOM 0 H GLY A 14 17.733 17.916 -24.978 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.026 15.394 -23.843 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.754 16.901 -23.323 1.00 0.00 H new ATOM 198 N TYR A 15 15.861 15.637 -22.281 1.00 0.00 N ATOM 199 CA TYR A 15 14.936 15.449 -21.168 1.00 0.00 C ATOM 200 C TYR A 15 15.612 14.945 -19.891 1.00 0.00 C ATOM 201 O TYR A 15 15.200 15.337 -18.807 1.00 0.00 O ATOM 202 CB TYR A 15 13.823 14.480 -21.604 1.00 0.00 C ATOM 203 CG TYR A 15 14.255 13.028 -21.746 1.00 0.00 C ATOM 204 CD1 TYR A 15 14.821 12.567 -22.953 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.110 12.143 -20.658 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.263 11.234 -23.063 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.552 10.809 -20.765 1.00 0.00 C ATOM 208 CZ TYR A 15 15.131 10.353 -21.967 1.00 0.00 C ATOM 209 OH TYR A 15 15.584 9.074 -22.060 1.00 0.00 O ATOM 0 H TYR A 15 15.572 15.129 -23.117 1.00 0.00 H new ATOM 0 HA TYR A 15 14.521 16.426 -20.919 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.011 14.533 -20.879 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.420 14.819 -22.559 1.00 0.00 H new ATOM 0 HD1 TYR A 15 14.916 13.237 -23.794 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.659 12.488 -19.740 1.00 0.00 H new ATOM 0 HE1 TYR A 15 15.703 10.886 -23.986 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.447 10.136 -19.927 1.00 0.00 H new ATOM 0 HH TYR A 15 15.415 8.605 -21.216 1.00 0.00 H new ATOM 219 N LYS A 16 16.650 14.102 -20.000 1.00 0.00 N ATOM 220 CA LYS A 16 17.240 13.331 -18.891 1.00 0.00 C ATOM 221 C LYS A 16 17.470 14.141 -17.608 1.00 0.00 C ATOM 222 O LYS A 16 16.870 13.761 -16.606 1.00 0.00 O ATOM 223 CB LYS A 16 18.499 12.564 -19.353 1.00 0.00 C ATOM 224 CG LYS A 16 18.172 11.319 -20.197 1.00 0.00 C ATOM 225 CD LYS A 16 17.752 10.107 -19.342 1.00 0.00 C ATOM 226 CE LYS A 16 18.951 9.328 -18.778 1.00 0.00 C ATOM 227 NZ LYS A 16 19.588 8.476 -19.816 1.00 0.00 N ATOM 0 H LYS A 16 17.118 13.932 -20.890 1.00 0.00 H new ATOM 0 HA LYS A 16 16.490 12.594 -18.605 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.132 13.234 -19.935 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.074 12.262 -18.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.370 11.560 -20.895 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.044 11.051 -20.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.127 10.450 -18.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.141 9.436 -19.947 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.686 10.028 -18.380 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.622 8.705 -17.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.393 7.965 -19.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.893 7.792 -20.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.924 9.074 -20.598 1.00 0.00 H new ATOM 241 N PRO A 17 18.269 15.223 -17.583 1.00 0.00 N ATOM 242 CA PRO A 17 18.396 16.064 -16.393 1.00 0.00 C ATOM 243 C PRO A 17 17.085 16.778 -16.031 1.00 0.00 C ATOM 244 O PRO A 17 16.690 16.755 -14.871 1.00 0.00 O ATOM 245 CB PRO A 17 19.527 17.052 -16.707 1.00 0.00 C ATOM 246 CG PRO A 17 19.533 17.121 -18.234 1.00 0.00 C ATOM 247 CD PRO A 17 19.153 15.700 -18.635 1.00 0.00 C ATOM 0 HA PRO A 17 18.625 15.463 -15.513 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.340 18.030 -16.263 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.483 16.703 -16.318 1.00 0.00 H new ATOM 0 HG2 PRO A 17 18.817 17.853 -18.609 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.511 17.404 -18.623 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.654 15.686 -19.604 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.036 15.067 -18.722 1.00 0.00 H new ATOM 255 N LYS A 18 16.347 17.362 -16.992 1.00 0.00 N ATOM 256 CA LYS A 18 15.079 18.076 -16.714 1.00 0.00 C ATOM 257 C LYS A 18 14.045 17.170 -16.022 1.00 0.00 C ATOM 258 O LYS A 18 13.273 17.638 -15.188 1.00 0.00 O ATOM 259 CB LYS A 18 14.551 18.701 -18.027 1.00 0.00 C ATOM 260 CG LYS A 18 13.707 19.982 -17.856 1.00 0.00 C ATOM 261 CD LYS A 18 12.264 19.775 -17.356 1.00 0.00 C ATOM 262 CE LYS A 18 11.993 20.437 -15.995 1.00 0.00 C ATOM 263 NZ LYS A 18 11.876 21.920 -16.093 1.00 0.00 N ATOM 0 H LYS A 18 16.607 17.355 -17.978 1.00 0.00 H new ATOM 0 HA LYS A 18 15.269 18.882 -16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.402 18.929 -18.669 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.949 17.956 -18.548 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.222 20.643 -17.158 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.668 20.499 -18.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.570 20.178 -18.093 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.063 18.706 -17.279 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.073 20.031 -15.574 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.798 20.184 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.694 22.317 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.762 22.314 -16.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.091 22.165 -16.729 1.00 0.00 H new ATOM 277 N TYR A 19 14.054 15.879 -16.360 1.00 0.00 N ATOM 278 CA TYR A 19 13.312 14.802 -15.718 1.00 0.00 C ATOM 279 C TYR A 19 13.927 14.431 -14.373 1.00 0.00 C ATOM 280 O TYR A 19 13.253 14.559 -13.354 1.00 0.00 O ATOM 281 CB TYR A 19 13.288 13.579 -16.646 1.00 0.00 C ATOM 282 CG TYR A 19 12.119 13.539 -17.604 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.593 14.714 -18.187 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.525 12.294 -17.873 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.429 14.645 -18.976 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.390 12.228 -18.691 1.00 0.00 C ATOM 287 CZ TYR A 19 9.821 13.399 -19.214 1.00 0.00 C ATOM 288 OH TYR A 19 8.667 13.315 -19.911 1.00 0.00 O ATOM 0 H TYR A 19 14.617 15.541 -17.140 1.00 0.00 H new ATOM 0 HA TYR A 19 12.293 15.143 -15.533 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.213 13.558 -17.222 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.272 12.676 -16.035 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.083 15.663 -18.028 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.942 11.392 -17.451 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.005 15.545 -19.397 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.950 11.269 -18.921 1.00 0.00 H new ATOM 0 HH TYR A 19 7.936 13.073 -19.305 1.00 0.00 H new ATOM 298 N LEU A 20 15.189 13.993 -14.352 1.00 0.00 N ATOM 299 CA LEU A 20 15.882 13.562 -13.143 1.00 0.00 C ATOM 300 C LEU A 20 15.759 14.608 -12.046 1.00 0.00 C ATOM 301 O LEU A 20 15.321 14.265 -10.975 1.00 0.00 O ATOM 302 CB LEU A 20 17.356 13.260 -13.431 1.00 0.00 C ATOM 303 CG LEU A 20 17.619 11.927 -14.162 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.043 11.893 -14.724 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.463 10.727 -13.226 1.00 0.00 C ATOM 0 H LEU A 20 15.765 13.928 -15.192 1.00 0.00 H new ATOM 0 HA LEU A 20 15.407 12.643 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.767 14.073 -14.030 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.901 13.253 -12.487 1.00 0.00 H new ATOM 0 HG LEU A 20 16.884 11.863 -14.965 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.210 10.945 -15.236 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.176 12.714 -15.428 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.759 11.995 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.656 9.807 -13.778 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.173 10.812 -12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.448 10.705 -12.828 1.00 0.00 H new ATOM 317 N GLN A 21 16.022 15.884 -12.278 1.00 0.00 N ATOM 318 CA GLN A 21 16.044 16.902 -11.239 1.00 0.00 C ATOM 319 C GLN A 21 14.658 17.216 -10.644 1.00 0.00 C ATOM 320 O GLN A 21 14.585 17.840 -9.586 1.00 0.00 O ATOM 321 CB GLN A 21 16.755 18.132 -11.821 1.00 0.00 C ATOM 322 CG GLN A 21 18.276 18.093 -11.602 1.00 0.00 C ATOM 323 CD GLN A 21 18.964 16.862 -12.195 1.00 0.00 C ATOM 324 OE1 GLN A 21 19.341 16.823 -13.355 1.00 0.00 O ATOM 325 NE2 GLN A 21 19.163 15.810 -11.431 1.00 0.00 N ATOM 0 H GLN A 21 16.230 16.248 -13.208 1.00 0.00 H new ATOM 0 HA GLN A 21 16.595 16.529 -10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.547 18.196 -12.889 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.348 19.033 -11.362 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.718 18.988 -12.040 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.479 18.128 -10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 21 18.856 15.821 -10.458 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.624 14.984 -11.811 1.00 0.00 H new ATOM 334 N LEU A 22 13.568 16.739 -11.257 1.00 0.00 N ATOM 335 CA LEU A 22 12.266 16.565 -10.607 1.00 0.00 C ATOM 336 C LEU A 22 12.177 15.202 -9.878 1.00 0.00 C ATOM 337 O LEU A 22 11.803 15.133 -8.706 1.00 0.00 O ATOM 338 CB LEU A 22 11.188 16.701 -11.702 1.00 0.00 C ATOM 339 CG LEU A 22 9.746 16.683 -11.170 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.376 18.014 -10.510 1.00 0.00 C ATOM 341 CD2 LEU A 22 8.773 16.445 -12.326 1.00 0.00 C ATOM 0 H LEU A 22 13.568 16.458 -12.238 1.00 0.00 H new ATOM 0 HA LEU A 22 12.117 17.323 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.352 17.632 -12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.309 15.889 -12.419 1.00 0.00 H new ATOM 0 HG LEU A 22 9.680 15.884 -10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.350 17.966 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.050 18.206 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.465 18.819 -11.240 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.752 16.433 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.877 17.244 -13.060 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.996 15.488 -12.798 1.00 0.00 H new ATOM 353 N LYS A 23 12.527 14.127 -10.595 1.00 0.00 N ATOM 354 CA LYS A 23 12.355 12.708 -10.229 1.00 0.00 C ATOM 355 C LYS A 23 13.213 12.316 -9.024 1.00 0.00 C ATOM 356 O LYS A 23 12.675 11.910 -8.003 1.00 0.00 O ATOM 357 CB LYS A 23 12.684 11.849 -11.475 1.00 0.00 C ATOM 358 CG LYS A 23 11.966 10.512 -11.513 1.00 0.00 C ATOM 359 CD LYS A 23 12.751 9.398 -10.828 1.00 0.00 C ATOM 360 CE LYS A 23 13.640 8.661 -11.814 1.00 0.00 C ATOM 361 NZ LYS A 23 13.977 7.340 -11.237 1.00 0.00 N ATOM 0 H LYS A 23 12.968 14.228 -11.509 1.00 0.00 H new ATOM 0 HA LYS A 23 11.324 12.533 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.426 12.414 -12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.759 11.673 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.993 10.614 -11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.780 10.234 -12.551 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.362 9.819 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.059 8.695 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.129 8.539 -12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.547 9.233 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.283 6.698 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.745 7.449 -10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.139 6.943 -10.765 1.00 0.00 H new ATOM 375 N GLU A 24 14.528 12.493 -9.158 1.00 0.00 N ATOM 376 CA GLU A 24 15.578 12.465 -8.131 1.00 0.00 C ATOM 377 C GLU A 24 15.134 13.112 -6.817 1.00 0.00 C ATOM 378 O GLU A 24 15.319 12.510 -5.771 1.00 0.00 O ATOM 379 CB GLU A 24 16.785 13.229 -8.708 1.00 0.00 C ATOM 380 CG GLU A 24 18.041 13.416 -7.849 1.00 0.00 C ATOM 381 CD GLU A 24 18.307 14.918 -7.672 1.00 0.00 C ATOM 382 OE1 GLU A 24 18.453 15.659 -8.680 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.227 15.411 -6.527 1.00 0.00 O ATOM 0 H GLU A 24 14.927 12.678 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 24 15.822 11.430 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.088 12.719 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.436 14.220 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.907 12.940 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.897 12.936 -8.324 1.00 0.00 H new ATOM 390 N LYS A 25 14.536 14.311 -6.848 1.00 0.00 N ATOM 391 CA LYS A 25 14.074 15.019 -5.639 1.00 0.00 C ATOM 392 C LYS A 25 13.017 14.234 -4.863 1.00 0.00 C ATOM 393 O LYS A 25 13.127 14.042 -3.656 1.00 0.00 O ATOM 394 CB LYS A 25 13.544 16.419 -6.027 1.00 0.00 C ATOM 395 CG LYS A 25 14.226 17.552 -5.252 1.00 0.00 C ATOM 396 CD LYS A 25 15.735 17.690 -5.511 1.00 0.00 C ATOM 397 CE LYS A 25 16.038 17.862 -7.004 1.00 0.00 C ATOM 398 NZ LYS A 25 17.492 17.859 -7.260 1.00 0.00 N ATOM 0 H LYS A 25 14.357 14.821 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 25 14.929 15.124 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.694 16.575 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.470 16.458 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.740 18.493 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.067 17.391 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.123 18.547 -4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.252 16.808 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.566 17.058 -7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.606 18.797 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.669 17.621 -8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.883 18.801 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.951 17.154 -6.649 1.00 0.00 H new ATOM 412 N LEU A 26 12.008 13.778 -5.591 1.00 0.00 N ATOM 413 CA LEU A 26 10.891 12.977 -5.124 1.00 0.00 C ATOM 414 C LEU A 26 11.335 11.610 -4.576 1.00 0.00 C ATOM 415 O LEU A 26 11.011 11.237 -3.454 1.00 0.00 O ATOM 416 CB LEU A 26 9.934 12.877 -6.326 1.00 0.00 C ATOM 417 CG LEU A 26 8.693 13.748 -6.176 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.002 15.249 -6.192 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.714 13.435 -7.312 1.00 0.00 C ATOM 0 H LEU A 26 11.946 13.972 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 26 10.392 13.436 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.467 13.167 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.628 11.839 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 26 8.261 13.515 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.076 15.812 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.674 15.491 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.476 15.513 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.825 14.057 -7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.191 13.641 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.429 12.384 -7.268 1.00 0.00 H new ATOM 431 N GLU A 27 12.103 10.871 -5.366 1.00 0.00 N ATOM 432 CA GLU A 27 12.778 9.622 -5.005 1.00 0.00 C ATOM 433 C GLU A 27 13.772 9.751 -3.839 1.00 0.00 C ATOM 434 O GLU A 27 13.893 8.810 -3.060 1.00 0.00 O ATOM 435 CB GLU A 27 13.507 9.078 -6.248 1.00 0.00 C ATOM 436 CG GLU A 27 12.720 7.952 -6.931 1.00 0.00 C ATOM 437 CD GLU A 27 13.358 7.469 -8.246 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.492 7.870 -8.607 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.688 6.733 -9.005 1.00 0.00 O ATOM 0 H GLU A 27 12.285 11.139 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 27 12.004 8.937 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.668 9.890 -6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.491 8.708 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.637 7.109 -6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.707 8.299 -7.134 1.00 0.00 H new ATOM 446 N HIS A 28 14.475 10.878 -3.693 1.00 0.00 N ATOM 447 CA HIS A 28 15.302 11.165 -2.520 1.00 0.00 C ATOM 448 C HIS A 28 14.458 11.370 -1.264 1.00 0.00 C ATOM 449 O HIS A 28 14.838 10.920 -0.186 1.00 0.00 O ATOM 450 CB HIS A 28 16.148 12.419 -2.769 1.00 0.00 C ATOM 451 CG HIS A 28 17.039 12.806 -1.612 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.121 14.055 -1.037 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.879 11.977 -0.918 1.00 0.00 C ATOM 454 CE1 HIS A 28 18.012 13.983 -0.033 1.00 0.00 C ATOM 455 NE2 HIS A 28 18.510 12.742 0.068 1.00 0.00 N ATOM 0 H HIS A 28 14.485 11.621 -4.391 1.00 0.00 H new ATOM 0 HA HIS A 28 15.948 10.302 -2.359 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.767 12.256 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.483 13.253 -2.996 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.027 10.923 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.288 14.810 0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 28 19.212 12.419 0.734 1.00 0.00 H new ATOM 463 N GLU A 29 13.318 12.051 -1.390 1.00 0.00 N ATOM 464 CA GLU A 29 12.409 12.251 -0.265 1.00 0.00 C ATOM 465 C GLU A 29 11.700 10.958 0.171 1.00 0.00 C ATOM 466 O GLU A 29 11.454 10.751 1.361 1.00 0.00 O ATOM 467 CB GLU A 29 11.370 13.312 -0.644 1.00 0.00 C ATOM 468 CG GLU A 29 11.696 14.689 -0.049 1.00 0.00 C ATOM 469 CD GLU A 29 10.467 15.608 -0.035 1.00 0.00 C ATOM 470 OE1 GLU A 29 9.859 15.836 -1.103 1.00 0.00 O ATOM 471 OE2 GLU A 29 10.108 16.103 1.068 1.00 0.00 O ATOM 0 H GLU A 29 13.003 12.474 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 29 13.007 12.581 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.316 13.392 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.387 12.993 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.070 14.567 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.493 15.156 -0.628 1.00 0.00 H new ATOM 478 N PHE A 30 11.351 10.101 -0.792 1.00 0.00 N ATOM 479 CA PHE A 30 10.481 8.934 -0.629 1.00 0.00 C ATOM 480 C PHE A 30 11.073 7.640 -1.242 1.00 0.00 C ATOM 481 O PHE A 30 10.393 6.952 -2.017 1.00 0.00 O ATOM 482 CB PHE A 30 9.117 9.287 -1.244 1.00 0.00 C ATOM 483 CG PHE A 30 8.519 10.603 -0.779 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.171 10.776 0.572 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.369 11.675 -1.678 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.669 12.008 1.018 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.900 12.922 -1.226 1.00 0.00 C ATOM 488 CZ PHE A 30 7.547 13.086 0.121 1.00 0.00 C ATOM 0 H PHE A 30 11.683 10.207 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 30 10.377 8.710 0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.222 9.317 -2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.415 8.486 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.290 9.959 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.615 11.540 -2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.376 12.129 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.812 13.750 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.181 14.040 0.471 1.00 0.00 H new ATOM 498 N PRO A 31 12.327 7.258 -0.924 1.00 0.00 N ATOM 499 CA PRO A 31 13.022 6.177 -1.619 1.00 0.00 C ATOM 500 C PRO A 31 12.307 4.840 -1.452 1.00 0.00 C ATOM 501 O PRO A 31 11.938 4.443 -0.347 1.00 0.00 O ATOM 502 CB PRO A 31 14.445 6.147 -1.067 1.00 0.00 C ATOM 503 CG PRO A 31 14.310 6.812 0.302 1.00 0.00 C ATOM 504 CD PRO A 31 13.201 7.839 0.082 1.00 0.00 C ATOM 0 HA PRO A 31 13.036 6.355 -2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.822 5.128 -0.983 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.137 6.690 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.044 6.091 1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.241 7.285 0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.659 8.035 1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.610 8.791 -0.256 1.00 0.00 H new ATOM 512 N GLY A 32 12.065 4.185 -2.589 1.00 0.00 N ATOM 513 CA GLY A 32 11.266 2.961 -2.766 1.00 0.00 C ATOM 514 C GLY A 32 9.811 2.988 -2.285 1.00 0.00 C ATOM 515 O GLY A 32 9.026 2.120 -2.658 1.00 0.00 O ATOM 0 H GLY A 32 12.447 4.515 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.265 2.711 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.776 2.149 -2.248 1.00 0.00 H new ATOM 519 N CYS A 33 9.419 3.991 -1.501 1.00 0.00 N ATOM 520 CA CYS A 33 8.036 4.315 -1.212 1.00 0.00 C ATOM 521 C CYS A 33 7.336 4.951 -2.428 1.00 0.00 C ATOM 522 O CYS A 33 6.113 5.075 -2.441 1.00 0.00 O ATOM 523 CB CYS A 33 7.964 5.215 0.024 1.00 0.00 C ATOM 524 SG CYS A 33 8.989 4.620 1.408 1.00 0.00 S ATOM 0 H CYS A 33 10.080 4.615 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 33 7.498 3.392 -0.997 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.282 6.221 -0.249 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.927 5.287 0.353 1.00 0.00 H new ATOM 0 HG CYS A 33 10.213 4.458 1.003 1.00 0.00 H new ATOM 530 N LEU A 34 8.098 5.320 -3.461 1.00 0.00 N ATOM 531 CA LEU A 34 7.660 5.781 -4.764 1.00 0.00 C ATOM 532 C LEU A 34 8.234 4.910 -5.882 1.00 0.00 C ATOM 533 O LEU A 34 9.360 4.420 -5.813 1.00 0.00 O ATOM 534 CB LEU A 34 8.131 7.232 -4.988 1.00 0.00 C ATOM 535 CG LEU A 34 6.992 8.245 -4.938 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.380 8.448 -3.557 1.00 0.00 C ATOM 537 CD2 LEU A 34 7.445 9.615 -5.439 1.00 0.00 C ATOM 0 H LEU A 34 9.116 5.299 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 34 6.572 5.722 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.871 7.489 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.628 7.301 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 34 6.230 7.811 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.579 9.185 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.976 7.502 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.147 8.802 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.610 10.314 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.260 9.980 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.788 9.530 -6.470 1.00 0.00 H new ATOM 549 N ASP A 35 7.466 4.874 -6.960 1.00 0.00 N ATOM 550 CA ASP A 35 7.890 4.744 -8.348 1.00 0.00 C ATOM 551 C ASP A 35 7.691 6.098 -9.026 1.00 0.00 C ATOM 552 O ASP A 35 6.702 6.786 -8.781 1.00 0.00 O ATOM 553 CB ASP A 35 6.954 3.742 -9.017 1.00 0.00 C ATOM 554 CG ASP A 35 6.973 3.724 -10.554 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.063 3.813 -11.160 1.00 0.00 O ATOM 556 OD2 ASP A 35 5.855 3.696 -11.137 1.00 0.00 O ATOM 0 H ASP A 35 6.451 4.940 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 35 8.929 4.424 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.206 2.744 -8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.936 3.951 -8.688 1.00 0.00 H new ATOM 561 N ILE A 36 8.577 6.449 -9.940 1.00 0.00 N ATOM 562 CA ILE A 36 8.383 7.541 -10.879 1.00 0.00 C ATOM 563 C ILE A 36 9.043 7.156 -12.205 1.00 0.00 C ATOM 564 O ILE A 36 10.266 7.211 -12.404 1.00 0.00 O ATOM 565 CB ILE A 36 8.972 8.858 -10.398 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.856 9.222 -8.909 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.489 10.004 -11.315 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.973 10.179 -8.477 1.00 0.00 C ATOM 0 H ILE A 36 9.472 5.973 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 36 7.309 7.695 -10.987 1.00 0.00 H new ATOM 0 HB ILE A 36 10.048 8.702 -10.480 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.887 9.683 -8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.900 8.314 -8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.911 10.948 -10.970 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.814 9.813 -12.338 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.401 10.060 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.861 10.415 -7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.941 9.706 -8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.913 11.097 -9.062 1.00 0.00 H new ATOM 580 N CYS A 37 8.181 6.805 -13.129 1.00 0.00 N ATOM 581 CA CYS A 37 8.513 6.741 -14.536 1.00 0.00 C ATOM 582 C CYS A 37 8.270 8.108 -15.186 1.00 0.00 C ATOM 583 O CYS A 37 7.706 9.029 -14.590 1.00 0.00 O ATOM 584 CB CYS A 37 7.704 5.618 -15.178 1.00 0.00 C ATOM 585 SG CYS A 37 8.278 4.001 -14.570 1.00 0.00 S ATOM 0 H CYS A 37 7.215 6.552 -12.924 1.00 0.00 H new ATOM 0 HA CYS A 37 9.568 6.511 -14.683 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.646 5.746 -14.949 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.803 5.663 -16.263 1.00 0.00 H new ATOM 0 HG CYS A 37 8.165 3.959 -13.276 1.00 0.00 H new ATOM 591 N GLY A 38 8.738 8.242 -16.420 1.00 0.00 N ATOM 592 CA GLY A 38 8.548 9.420 -17.250 1.00 0.00 C ATOM 593 C GLY A 38 8.763 9.086 -18.722 1.00 0.00 C ATOM 594 O GLY A 38 9.715 8.401 -19.091 1.00 0.00 O ATOM 0 H GLY A 38 9.277 7.510 -16.883 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.542 9.814 -17.105 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.244 10.202 -16.944 1.00 0.00 H new ATOM 598 N GLU A 39 7.917 9.637 -19.582 1.00 0.00 N ATOM 599 CA GLU A 39 7.632 9.204 -20.943 1.00 0.00 C ATOM 600 C GLU A 39 7.992 10.333 -21.924 1.00 0.00 C ATOM 601 O GLU A 39 7.227 10.728 -22.806 1.00 0.00 O ATOM 602 CB GLU A 39 6.158 8.765 -21.007 1.00 0.00 C ATOM 603 CG GLU A 39 5.784 7.588 -20.073 1.00 0.00 C ATOM 604 CD GLU A 39 5.761 7.912 -18.562 1.00 0.00 C ATOM 605 OE1 GLU A 39 5.440 9.069 -18.196 1.00 0.00 O ATOM 606 OE2 GLU A 39 6.072 7.011 -17.747 1.00 0.00 O ATOM 0 H GLU A 39 7.371 10.460 -19.327 1.00 0.00 H new ATOM 0 HA GLU A 39 8.238 8.347 -21.236 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.529 9.620 -20.759 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.923 8.483 -22.033 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.800 7.218 -20.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.492 6.776 -20.241 1.00 0.00 H new ATOM 702 N PHE A 47 3.427 19.658 -24.234 1.00 0.00 N ATOM 703 CA PHE A 47 2.894 19.306 -22.927 1.00 0.00 C ATOM 704 C PHE A 47 4.016 18.788 -22.007 1.00 0.00 C ATOM 705 O PHE A 47 5.089 18.407 -22.476 1.00 0.00 O ATOM 706 CB PHE A 47 1.829 18.215 -23.134 1.00 0.00 C ATOM 707 CG PHE A 47 0.853 18.393 -24.289 1.00 0.00 C ATOM 708 CD1 PHE A 47 0.373 19.666 -24.659 1.00 0.00 C ATOM 709 CD2 PHE A 47 0.414 17.258 -25.000 1.00 0.00 C ATOM 710 CE1 PHE A 47 -0.545 19.799 -25.716 1.00 0.00 C ATOM 711 CE2 PHE A 47 -0.506 17.390 -26.054 1.00 0.00 C ATOM 712 CZ PHE A 47 -0.992 18.660 -26.407 1.00 0.00 C ATOM 0 HA PHE A 47 2.455 20.183 -22.451 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.344 17.265 -23.273 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.250 18.132 -22.214 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.712 20.543 -24.128 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.787 16.280 -24.733 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.907 20.777 -25.997 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.839 16.515 -26.593 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.709 18.761 -27.209 1.00 0.00 H new ATOM 722 N PHE A 48 3.758 18.735 -20.699 1.00 0.00 N ATOM 723 CA PHE A 48 4.628 18.127 -19.681 1.00 0.00 C ATOM 724 C PHE A 48 3.760 17.725 -18.487 1.00 0.00 C ATOM 725 O PHE A 48 3.464 18.569 -17.639 1.00 0.00 O ATOM 726 CB PHE A 48 5.755 19.110 -19.282 1.00 0.00 C ATOM 727 CG PHE A 48 6.945 18.526 -18.537 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.802 18.001 -17.238 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.224 18.559 -19.124 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.918 17.495 -16.550 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.338 18.033 -18.449 1.00 0.00 C ATOM 732 CZ PHE A 48 9.185 17.497 -17.159 1.00 0.00 C ATOM 0 H PHE A 48 2.905 19.129 -20.301 1.00 0.00 H new ATOM 0 HA PHE A 48 5.117 17.235 -20.074 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.124 19.589 -20.189 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.318 19.894 -18.663 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.830 17.987 -16.768 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.350 18.994 -20.105 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.802 17.103 -15.550 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.310 18.041 -18.920 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.038 17.088 -16.637 1.00 0.00 H new ATOM 742 N GLU A 49 3.241 16.497 -18.440 1.00 0.00 N ATOM 743 CA GLU A 49 2.053 16.223 -17.649 1.00 0.00 C ATOM 744 C GLU A 49 2.363 15.168 -16.572 1.00 0.00 C ATOM 745 O GLU A 49 2.662 14.015 -16.894 1.00 0.00 O ATOM 746 CB GLU A 49 0.934 15.831 -18.619 1.00 0.00 C ATOM 747 CG GLU A 49 0.756 16.705 -19.882 1.00 0.00 C ATOM 748 CD GLU A 49 0.297 18.154 -19.638 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.935 18.358 -19.541 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.090 19.117 -19.751 1.00 0.00 O ATOM 0 H GLU A 49 3.622 15.691 -18.935 1.00 0.00 H new ATOM 0 HA GLU A 49 1.718 17.099 -17.093 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.110 14.804 -18.940 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.007 15.836 -18.069 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.704 16.730 -20.419 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.032 16.220 -20.537 1.00 0.00 H new ATOM 757 N VAL A 50 2.353 15.573 -15.294 1.00 0.00 N ATOM 758 CA VAL A 50 2.829 14.737 -14.170 1.00 0.00 C ATOM 759 C VAL A 50 1.634 14.128 -13.463 1.00 0.00 C ATOM 760 O VAL A 50 0.723 14.846 -13.041 1.00 0.00 O ATOM 761 CB VAL A 50 3.681 15.509 -13.144 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.227 14.594 -12.039 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.875 16.212 -13.802 1.00 0.00 C ATOM 0 H VAL A 50 2.015 16.491 -15.005 1.00 0.00 H new ATOM 0 HA VAL A 50 3.472 13.970 -14.600 1.00 0.00 H new ATOM 0 HB VAL A 50 3.008 16.249 -12.710 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.821 15.182 -11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.396 14.129 -11.508 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.852 13.820 -12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.448 16.744 -13.042 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.512 15.471 -14.285 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.514 16.921 -14.547 1.00 0.00 H new ATOM 773 N THR A 51 1.633 12.807 -13.321 1.00 0.00 N ATOM 774 CA THR A 51 0.525 12.022 -12.785 1.00 0.00 C ATOM 775 C THR A 51 1.017 11.146 -11.640 1.00 0.00 C ATOM 776 O THR A 51 2.090 10.567 -11.749 1.00 0.00 O ATOM 777 CB THR A 51 -0.049 11.086 -13.870 1.00 0.00 C ATOM 778 OG1 THR A 51 0.513 11.255 -15.153 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.548 11.270 -14.039 1.00 0.00 C ATOM 0 H THR A 51 2.433 12.232 -13.585 1.00 0.00 H new ATOM 0 HA THR A 51 -0.241 12.717 -12.441 1.00 0.00 H new ATOM 0 HB THR A 51 0.204 10.093 -13.498 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.097 10.625 -15.778 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.913 10.593 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.050 11.050 -13.097 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.758 12.299 -14.330 1.00 0.00 H new ATOM 787 N VAL A 52 0.224 10.958 -10.585 1.00 0.00 N ATOM 788 CA VAL A 52 0.476 10.059 -9.444 1.00 0.00 C ATOM 789 C VAL A 52 -0.789 9.265 -9.106 1.00 0.00 C ATOM 790 O VAL A 52 -1.876 9.828 -9.081 1.00 0.00 O ATOM 791 CB VAL A 52 1.003 10.862 -8.239 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.048 11.947 -7.737 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.300 9.955 -7.049 1.00 0.00 C ATOM 0 H VAL A 52 -0.663 11.454 -10.493 1.00 0.00 H new ATOM 0 HA VAL A 52 1.248 9.338 -9.713 1.00 0.00 H new ATOM 0 HB VAL A 52 1.906 11.338 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.497 12.463 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.143 12.662 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.892 11.490 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.670 10.555 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.388 9.440 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.055 9.221 -7.331 1.00 0.00 H new ATOM 803 N ALA A 53 -0.690 7.947 -8.928 1.00 0.00 N ATOM 804 CA ALA A 53 -1.820 7.027 -8.694 1.00 0.00 C ATOM 805 C ALA A 53 -3.038 7.249 -9.637 1.00 0.00 C ATOM 806 O ALA A 53 -4.196 7.101 -9.229 1.00 0.00 O ATOM 807 CB ALA A 53 -2.203 7.088 -7.207 1.00 0.00 C ATOM 0 H ALA A 53 0.210 7.466 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.487 6.020 -8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.038 6.413 -7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.349 6.789 -6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.494 8.106 -6.948 1.00 0.00 H new ATOM 813 N GLY A 54 -2.795 7.664 -10.889 1.00 0.00 N ATOM 814 CA GLY A 54 -3.828 8.010 -11.877 1.00 0.00 C ATOM 815 C GLY A 54 -4.425 9.418 -11.738 1.00 0.00 C ATOM 816 O GLY A 54 -5.543 9.643 -12.187 1.00 0.00 O ATOM 0 H GLY A 54 -1.848 7.771 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.400 7.912 -12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.636 7.282 -11.803 1.00 0.00 H new ATOM 820 N LYS A 55 -3.736 10.354 -11.076 1.00 0.00 N ATOM 821 CA LYS A 55 -4.199 11.710 -10.739 1.00 0.00 C ATOM 822 C LYS A 55 -3.161 12.740 -11.195 1.00 0.00 C ATOM 823 O LYS A 55 -2.021 12.696 -10.739 1.00 0.00 O ATOM 824 CB LYS A 55 -4.454 11.829 -9.229 1.00 0.00 C ATOM 825 CG LYS A 55 -5.208 10.663 -8.559 1.00 0.00 C ATOM 826 CD LYS A 55 -6.688 10.532 -8.972 1.00 0.00 C ATOM 827 CE LYS A 55 -7.113 9.115 -9.397 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.694 8.062 -8.438 1.00 0.00 N ATOM 0 H LYS A 55 -2.788 10.179 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.138 11.905 -11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.492 11.943 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.017 12.745 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.694 9.731 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.156 10.788 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.314 10.850 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.883 11.218 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.197 9.086 -9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.688 8.894 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.442 7.344 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.818 7.615 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.528 8.489 -7.504 1.00 0.00 H new ATOM 842 N LEU A 56 -3.493 13.590 -12.164 1.00 0.00 N ATOM 843 CA LEU A 56 -2.619 14.692 -12.590 1.00 0.00 C ATOM 844 C LEU A 56 -2.408 15.696 -11.448 1.00 0.00 C ATOM 845 O LEU A 56 -3.340 16.021 -10.715 1.00 0.00 O ATOM 846 CB LEU A 56 -3.175 15.297 -13.893 1.00 0.00 C ATOM 847 CG LEU A 56 -2.402 16.509 -14.452 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.431 16.516 -15.986 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.002 17.836 -13.979 1.00 0.00 C ATOM 0 H LEU A 56 -4.373 13.539 -12.678 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.617 14.329 -12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.192 14.518 -14.655 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.209 15.597 -13.720 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.380 16.413 -14.084 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.879 17.380 -16.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.971 15.603 -16.363 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.464 16.570 -16.330 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.428 18.664 -14.395 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.037 17.907 -14.314 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.969 17.883 -12.891 1.00 0.00 H new ATOM 861 N VAL A 57 -1.168 16.170 -11.329 1.00 0.00 N ATOM 862 CA VAL A 57 -0.757 17.206 -10.358 1.00 0.00 C ATOM 863 C VAL A 57 -0.071 18.385 -11.050 1.00 0.00 C ATOM 864 O VAL A 57 -0.105 19.504 -10.545 1.00 0.00 O ATOM 865 CB VAL A 57 0.155 16.628 -9.256 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.296 17.586 -8.064 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.378 15.302 -8.704 1.00 0.00 C ATOM 0 H VAL A 57 -0.399 15.843 -11.913 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.669 17.571 -9.885 1.00 0.00 H new ATOM 0 HB VAL A 57 1.121 16.476 -9.737 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.946 17.138 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.728 18.528 -8.403 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.686 17.773 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.296 14.932 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.369 15.458 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.441 14.571 -9.510 1.00 0.00 H new ATOM 877 N HIS A 58 0.493 18.142 -12.237 1.00 0.00 N ATOM 878 CA HIS A 58 1.093 19.156 -13.091 1.00 0.00 C ATOM 879 C HIS A 58 0.682 18.997 -14.552 1.00 0.00 C ATOM 880 O HIS A 58 0.467 17.891 -15.046 1.00 0.00 O ATOM 881 CB HIS A 58 2.608 19.031 -13.014 1.00 0.00 C ATOM 882 CG HIS A 58 3.327 20.125 -13.757 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.942 21.443 -13.781 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.177 19.926 -14.814 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.495 21.997 -14.870 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.294 21.133 -15.502 1.00 0.00 N ATOM 0 H HIS A 58 0.543 17.205 -12.636 1.00 0.00 H new ATOM 0 HA HIS A 58 0.748 20.128 -12.739 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.916 19.047 -11.968 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.908 18.065 -13.420 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.347 21.913 -13.098 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.669 18.999 -15.069 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.317 23.012 -15.194 1.00 0.00 H new ATOM 894 N SER A 59 0.677 20.115 -15.266 1.00 0.00 N ATOM 895 CA SER A 59 0.431 20.232 -16.690 1.00 0.00 C ATOM 896 C SER A 59 1.098 21.488 -17.263 1.00 0.00 C ATOM 897 O SER A 59 0.670 22.616 -16.964 1.00 0.00 O ATOM 898 CB SER A 59 -1.064 20.428 -16.848 1.00 0.00 C ATOM 899 OG SER A 59 -1.453 20.526 -18.202 1.00 0.00 O ATOM 0 H SER A 59 0.857 21.021 -14.834 1.00 0.00 H new ATOM 0 HA SER A 59 0.818 19.351 -17.202 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.589 19.594 -16.381 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.367 21.332 -16.319 1.00 0.00 H new ATOM 0 HG SER A 59 -1.541 19.627 -18.583 1.00 0.00 H new ATOM 905 N LYS A 60 2.111 21.363 -18.125 1.00 0.00 N ATOM 906 CA LYS A 60 2.506 22.518 -18.942 1.00 0.00 C ATOM 907 C LYS A 60 1.448 22.897 -19.970 1.00 0.00 C ATOM 908 O LYS A 60 1.339 24.090 -20.239 1.00 0.00 O ATOM 909 CB LYS A 60 3.856 22.282 -19.620 1.00 0.00 C ATOM 910 CG LYS A 60 5.032 22.758 -18.756 1.00 0.00 C ATOM 911 CD LYS A 60 5.442 24.229 -18.935 1.00 0.00 C ATOM 912 CE LYS A 60 4.363 25.245 -18.548 1.00 0.00 C ATOM 913 NZ LYS A 60 4.907 26.628 -18.519 1.00 0.00 N ATOM 0 H LYS A 60 2.654 20.513 -18.274 1.00 0.00 H new ATOM 0 HA LYS A 60 2.604 23.361 -18.257 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.972 21.220 -19.834 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.876 22.804 -20.577 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.777 22.596 -17.709 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.896 22.131 -18.974 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.333 24.419 -18.336 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.718 24.391 -19.977 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.539 25.191 -19.259 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.957 24.991 -17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.152 27.292 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.678 26.683 -17.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.272 26.877 -19.460 1.00 0.00 H new ATOM 927 N LYS A 61 0.632 21.946 -20.456 1.00 0.00 N ATOM 928 CA LYS A 61 -0.495 22.164 -21.389 1.00 0.00 C ATOM 929 C LYS A 61 -1.439 23.264 -20.902 1.00 0.00 C ATOM 930 O LYS A 61 -1.678 24.222 -21.626 1.00 0.00 O ATOM 931 CB LYS A 61 -1.244 20.838 -21.622 1.00 0.00 C ATOM 932 CG LYS A 61 -2.336 20.934 -22.699 1.00 0.00 C ATOM 933 CD LYS A 61 -3.230 19.684 -22.789 1.00 0.00 C ATOM 934 CE LYS A 61 -2.481 18.372 -23.072 1.00 0.00 C ATOM 935 NZ LYS A 61 -2.157 17.618 -21.834 1.00 0.00 N ATOM 0 H LYS A 61 0.741 20.964 -20.202 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.088 22.508 -22.340 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.526 20.070 -21.910 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.696 20.515 -20.684 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.961 21.803 -22.493 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.865 21.103 -23.667 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.777 19.578 -21.852 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.970 19.840 -23.574 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.088 17.746 -23.726 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.559 18.594 -23.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.434 16.901 -22.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.795 18.274 -21.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.015 17.150 -21.478 1.00 0.00 H new ATOM 949 N ARG A 62 -1.961 23.139 -19.674 1.00 0.00 N ATOM 950 CA ARG A 62 -2.850 24.142 -19.073 1.00 0.00 C ATOM 951 C ARG A 62 -2.151 25.391 -18.545 1.00 0.00 C ATOM 952 O ARG A 62 -2.807 26.285 -18.023 1.00 0.00 O ATOM 953 CB ARG A 62 -3.721 23.468 -18.015 1.00 0.00 C ATOM 954 CG ARG A 62 -3.082 23.030 -16.696 1.00 0.00 C ATOM 955 CD ARG A 62 -3.613 23.730 -15.447 1.00 0.00 C ATOM 956 NE ARG A 62 -2.892 24.990 -15.246 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.389 26.171 -14.928 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.649 26.316 -14.643 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.650 27.240 -14.864 1.00 0.00 N ATOM 0 H ARG A 62 -1.778 22.338 -19.069 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.478 24.531 -19.875 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.535 24.152 -17.775 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.170 22.586 -18.472 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.228 21.956 -16.580 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.007 23.200 -16.758 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.681 23.923 -15.552 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.490 23.086 -14.576 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.880 24.949 -15.367 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.272 25.509 -14.663 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.014 27.237 -14.400 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.651 27.182 -15.063 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.069 28.136 -14.615 1.00 0.00 H new ATOM 973 N GLY A 63 -0.822 25.436 -18.615 1.00 0.00 N ATOM 974 CA GLY A 63 -0.042 26.558 -18.120 1.00 0.00 C ATOM 975 C GLY A 63 0.027 26.538 -16.599 1.00 0.00 C ATOM 976 O GLY A 63 -0.010 27.592 -15.975 1.00 0.00 O ATOM 0 H GLY A 63 -0.257 24.689 -19.020 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.965 26.518 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.488 27.494 -18.456 1.00 0.00 H new ATOM 980 N ASP A 64 0.063 25.354 -15.969 1.00 0.00 N ATOM 981 CA ASP A 64 0.376 25.295 -14.524 1.00 0.00 C ATOM 982 C ASP A 64 1.796 25.815 -14.197 1.00 0.00 C ATOM 983 O ASP A 64 2.041 26.357 -13.120 1.00 0.00 O ATOM 984 CB ASP A 64 0.184 23.857 -14.027 1.00 0.00 C ATOM 985 CG ASP A 64 0.414 23.718 -12.523 1.00 0.00 C ATOM 986 OD1 ASP A 64 0.062 24.646 -11.762 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.102 22.744 -12.143 1.00 0.00 O ATOM 0 H ASP A 64 -0.113 24.453 -16.413 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.312 25.960 -14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.826 23.525 -14.268 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.871 23.198 -14.558 1.00 0.00 H new ATOM 992 N GLY A 65 2.735 25.660 -15.140 1.00 0.00 N ATOM 993 CA GLY A 65 4.160 25.932 -14.885 1.00 0.00 C ATOM 994 C GLY A 65 4.815 24.815 -14.071 1.00 0.00 C ATOM 995 O GLY A 65 4.158 24.180 -13.253 1.00 0.00 O ATOM 0 H GLY A 65 2.535 25.347 -16.090 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.684 26.045 -15.834 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.260 26.877 -14.351 1.00 0.00 H new ATOM 999 N TYR A 66 6.084 24.528 -14.352 1.00 0.00 N ATOM 1000 CA TYR A 66 6.897 23.446 -13.792 1.00 0.00 C ATOM 1001 C TYR A 66 7.037 23.550 -12.259 1.00 0.00 C ATOM 1002 O TYR A 66 6.364 24.339 -11.596 1.00 0.00 O ATOM 1003 CB TYR A 66 8.297 23.519 -14.435 1.00 0.00 C ATOM 1004 CG TYR A 66 8.408 23.403 -15.942 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.039 22.208 -16.587 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.994 24.447 -16.685 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.263 22.063 -17.968 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.189 24.319 -18.072 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.814 23.123 -18.716 1.00 0.00 C ATOM 1010 OH TYR A 66 8.963 23.003 -20.056 1.00 0.00 O ATOM 0 H TYR A 66 6.611 25.084 -15.025 1.00 0.00 H new ATOM 0 HA TYR A 66 6.404 22.498 -14.008 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.747 24.467 -14.142 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.905 22.728 -13.996 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.586 21.406 -16.024 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.297 25.355 -16.184 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.011 21.134 -18.458 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.622 25.130 -18.638 1.00 0.00 H new ATOM 0 HH TYR A 66 9.356 23.825 -20.416 1.00 0.00 H new ATOM 1020 N VAL A 67 8.013 22.857 -11.669 1.00 0.00 N ATOM 1021 CA VAL A 67 8.692 23.467 -10.518 1.00 0.00 C ATOM 1022 C VAL A 67 9.579 24.635 -10.952 1.00 0.00 C ATOM 1023 O VAL A 67 10.800 24.573 -11.018 1.00 0.00 O ATOM 1024 CB VAL A 67 9.332 22.495 -9.544 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.284 21.440 -9.154 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.575 21.717 -9.999 1.00 0.00 C ATOM 0 H VAL A 67 8.338 21.930 -11.944 1.00 0.00 H new ATOM 0 HA VAL A 67 7.904 23.893 -9.897 1.00 0.00 H new ATOM 0 HB VAL A 67 9.677 23.144 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.725 20.731 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.431 21.931 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.952 20.910 -10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.912 21.066 -9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.327 21.114 -10.872 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.369 22.418 -10.256 1.00 0.00 H new ATOM 1036 N ASP A 68 8.884 25.706 -11.304 1.00 0.00 N ATOM 1037 CA ASP A 68 9.395 27.010 -11.698 1.00 0.00 C ATOM 1038 C ASP A 68 9.819 27.834 -10.461 1.00 0.00 C ATOM 1039 O ASP A 68 10.596 28.777 -10.574 1.00 0.00 O ATOM 1040 CB ASP A 68 8.299 27.707 -12.517 1.00 0.00 C ATOM 1041 CG ASP A 68 8.237 27.288 -14.004 1.00 0.00 C ATOM 1042 OD1 ASP A 68 9.305 27.131 -14.629 1.00 0.00 O ATOM 1043 OD2 ASP A 68 7.119 27.073 -14.535 1.00 0.00 O ATOM 0 H ASP A 68 7.864 25.683 -11.323 1.00 0.00 H new ATOM 0 HA ASP A 68 10.292 26.907 -12.308 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.333 27.501 -12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.455 28.785 -12.464 1.00 0.00 H new ATOM 1048 N THR A 69 9.336 27.479 -9.257 1.00 0.00 N ATOM 1049 CA THR A 69 9.700 28.087 -7.984 1.00 0.00 C ATOM 1050 C THR A 69 9.663 27.077 -6.834 1.00 0.00 C ATOM 1051 O THR A 69 9.083 25.996 -6.953 1.00 0.00 O ATOM 1052 CB THR A 69 8.758 29.241 -7.643 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.432 28.850 -7.400 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.691 30.386 -8.647 1.00 0.00 C ATOM 0 H THR A 69 8.654 26.728 -9.150 1.00 0.00 H new ATOM 0 HA THR A 69 10.719 28.455 -8.099 1.00 0.00 H new ATOM 0 HB THR A 69 9.236 29.604 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.892 29.640 -7.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.989 31.141 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.679 30.832 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.356 30.005 -9.612 1.00 0.00 H new ATOM 1062 N GLU A 70 10.192 27.467 -5.671 1.00 0.00 N ATOM 1063 CA GLU A 70 10.027 26.721 -4.415 1.00 0.00 C ATOM 1064 C GLU A 70 8.565 26.476 -4.041 1.00 0.00 C ATOM 1065 O GLU A 70 8.172 25.356 -3.731 1.00 0.00 O ATOM 1066 CB GLU A 70 10.746 27.468 -3.273 1.00 0.00 C ATOM 1067 CG GLU A 70 12.138 26.897 -2.985 1.00 0.00 C ATOM 1068 CD GLU A 70 12.055 25.617 -2.141 1.00 0.00 C ATOM 1069 OE1 GLU A 70 11.116 24.813 -2.351 1.00 0.00 O ATOM 1070 OE2 GLU A 70 12.881 25.433 -1.217 1.00 0.00 O ATOM 0 H GLU A 70 10.751 28.314 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 70 10.473 25.739 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.836 28.523 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.140 27.413 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.646 26.682 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.737 27.642 -2.461 1.00 0.00 H new ATOM 1077 N SER A 71 7.720 27.501 -4.157 1.00 0.00 N ATOM 1078 CA SER A 71 6.284 27.351 -3.851 1.00 0.00 C ATOM 1079 C SER A 71 5.602 26.334 -4.771 1.00 0.00 C ATOM 1080 O SER A 71 4.778 25.520 -4.348 1.00 0.00 O ATOM 1081 CB SER A 71 5.582 28.703 -3.971 1.00 0.00 C ATOM 1082 OG SER A 71 4.329 28.665 -3.320 1.00 0.00 O ATOM 0 H SER A 71 7.994 28.437 -4.457 1.00 0.00 H new ATOM 0 HA SER A 71 6.205 26.979 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.204 29.483 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.446 28.957 -5.022 1.00 0.00 H new ATOM 0 HG SER A 71 3.891 29.538 -3.403 1.00 0.00 H new ATOM 1088 N LYS A 72 6.026 26.340 -6.035 1.00 0.00 N ATOM 1089 CA LYS A 72 5.601 25.420 -7.092 1.00 0.00 C ATOM 1090 C LYS A 72 6.044 23.983 -6.803 1.00 0.00 C ATOM 1091 O LYS A 72 5.224 23.070 -6.864 1.00 0.00 O ATOM 1092 CB LYS A 72 6.136 25.959 -8.431 1.00 0.00 C ATOM 1093 CG LYS A 72 5.189 26.988 -9.085 1.00 0.00 C ATOM 1094 CD LYS A 72 4.277 26.449 -10.197 1.00 0.00 C ATOM 1095 CE LYS A 72 3.470 25.212 -9.789 1.00 0.00 C ATOM 1096 NZ LYS A 72 2.743 24.668 -10.954 1.00 0.00 N ATOM 0 H LYS A 72 6.710 27.021 -6.367 1.00 0.00 H new ATOM 0 HA LYS A 72 4.513 25.373 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.110 26.421 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.289 25.126 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.562 27.422 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.792 27.797 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.588 27.236 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.886 26.203 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.137 24.453 -9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.764 25.473 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.097 23.916 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.196 25.428 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.424 24.277 -11.636 1.00 0.00 H new ATOM 1110 N PHE A 73 7.305 23.800 -6.416 1.00 0.00 N ATOM 1111 CA PHE A 73 7.856 22.534 -5.902 1.00 0.00 C ATOM 1112 C PHE A 73 7.077 22.016 -4.691 1.00 0.00 C ATOM 1113 O PHE A 73 6.579 20.889 -4.697 1.00 0.00 O ATOM 1114 CB PHE A 73 9.357 22.698 -5.599 1.00 0.00 C ATOM 1115 CG PHE A 73 10.055 21.498 -4.974 1.00 0.00 C ATOM 1116 CD1 PHE A 73 10.015 20.227 -5.584 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.787 21.661 -3.782 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.691 19.139 -5.003 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.467 20.575 -3.201 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.416 19.311 -3.811 1.00 0.00 C ATOM 0 H PHE A 73 7.998 24.548 -6.450 1.00 0.00 H new ATOM 0 HA PHE A 73 7.745 21.775 -6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.869 22.945 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.480 23.551 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.463 20.088 -6.502 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.827 22.631 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.653 18.168 -5.474 1.00 0.00 H new ATOM 0 HE2 PHE A 73 12.027 20.713 -2.288 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.932 18.474 -3.366 1.00 0.00 H new ATOM 1130 N ARG A 74 6.887 22.850 -3.668 1.00 0.00 N ATOM 1131 CA ARG A 74 6.233 22.493 -2.408 1.00 0.00 C ATOM 1132 C ARG A 74 4.799 22.002 -2.587 1.00 0.00 C ATOM 1133 O ARG A 74 4.334 21.182 -1.794 1.00 0.00 O ATOM 1134 CB ARG A 74 6.314 23.685 -1.434 1.00 0.00 C ATOM 1135 CG ARG A 74 7.179 23.419 -0.192 1.00 0.00 C ATOM 1136 CD ARG A 74 8.686 23.367 -0.499 1.00 0.00 C ATOM 1137 NE ARG A 74 9.481 23.366 0.749 1.00 0.00 N ATOM 1138 CZ ARG A 74 10.801 23.420 0.852 1.00 0.00 C ATOM 1139 NH1 ARG A 74 11.598 23.341 -0.162 1.00 0.00 N ATOM 1140 NH2 ARG A 74 11.371 23.565 2.014 1.00 0.00 N ATOM 0 H ARG A 74 7.193 23.823 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 74 6.770 21.644 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.715 24.548 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.306 23.948 -1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.992 24.199 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.874 22.474 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.912 22.472 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.966 24.224 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 74 8.957 23.319 1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.218 23.231 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.607 23.389 -0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.800 23.638 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.388 23.605 2.082 1.00 0.00 H new ATOM 1154 N LYS A 75 4.113 22.443 -3.646 1.00 0.00 N ATOM 1155 CA LYS A 75 2.778 21.993 -4.045 1.00 0.00 C ATOM 1156 C LYS A 75 2.737 20.504 -4.380 1.00 0.00 C ATOM 1157 O LYS A 75 1.799 19.814 -3.988 1.00 0.00 O ATOM 1158 CB LYS A 75 2.335 22.823 -5.264 1.00 0.00 C ATOM 1159 CG LYS A 75 0.812 22.951 -5.358 1.00 0.00 C ATOM 1160 CD LYS A 75 0.311 23.943 -4.300 1.00 0.00 C ATOM 1161 CE LYS A 75 -1.197 24.189 -4.423 1.00 0.00 C ATOM 1162 NZ LYS A 75 -1.983 22.984 -4.057 1.00 0.00 N ATOM 0 H LYS A 75 4.490 23.153 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 75 2.099 22.140 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.778 23.817 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.715 22.359 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.527 23.291 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.345 21.977 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.537 23.559 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.844 24.888 -4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.484 25.020 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.435 24.482 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.998 23.195 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.740 22.203 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.762 22.709 -3.079 1.00 0.00 H new ATOM 1176 N LEU A 76 3.781 20.036 -5.060 1.00 0.00 N ATOM 1177 CA LEU A 76 3.978 18.621 -5.382 1.00 0.00 C ATOM 1178 C LEU A 76 4.473 17.862 -4.173 1.00 0.00 C ATOM 1179 O LEU A 76 3.870 16.862 -3.798 1.00 0.00 O ATOM 1180 CB LEU A 76 4.961 18.483 -6.559 1.00 0.00 C ATOM 1181 CG LEU A 76 5.165 17.040 -7.073 1.00 0.00 C ATOM 1182 CD1 LEU A 76 3.888 16.427 -7.648 1.00 0.00 C ATOM 1183 CD2 LEU A 76 6.214 17.045 -8.185 1.00 0.00 C ATOM 0 H LEU A 76 4.527 20.637 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 76 3.021 18.190 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.605 19.100 -7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.928 18.884 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 76 5.478 16.444 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.094 15.414 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.119 16.399 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.540 17.031 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.361 16.029 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.874 17.680 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.156 17.430 -7.795 1.00 0.00 H new ATOM 1195 N VAL A 77 5.505 18.391 -3.519 1.00 0.00 N ATOM 1196 CA VAL A 77 6.066 17.783 -2.299 1.00 0.00 C ATOM 1197 C VAL A 77 4.969 17.497 -1.289 1.00 0.00 C ATOM 1198 O VAL A 77 4.891 16.396 -0.759 1.00 0.00 O ATOM 1199 CB VAL A 77 7.169 18.654 -1.670 1.00 0.00 C ATOM 1200 CG1 VAL A 77 7.597 18.192 -0.270 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.399 18.710 -2.570 1.00 0.00 C ATOM 0 H VAL A 77 5.978 19.246 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 77 6.528 16.840 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 77 6.728 19.646 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.377 18.853 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.739 18.221 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.980 17.173 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.163 19.331 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.789 17.703 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.125 19.136 -3.535 1.00 0.00 H new ATOM 1211 N THR A 78 4.053 18.441 -1.077 1.00 0.00 N ATOM 1212 CA THR A 78 2.945 18.264 -0.139 1.00 0.00 C ATOM 1213 C THR A 78 2.018 17.138 -0.543 1.00 0.00 C ATOM 1214 O THR A 78 1.618 16.347 0.312 1.00 0.00 O ATOM 1215 CB THR A 78 2.151 19.564 0.073 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.019 20.571 0.529 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.051 19.450 1.131 1.00 0.00 C ATOM 0 H THR A 78 4.057 19.346 -1.548 1.00 0.00 H new ATOM 0 HA THR A 78 3.403 17.990 0.811 1.00 0.00 H new ATOM 0 HB THR A 78 1.695 19.787 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.643 20.813 -0.186 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.535 20.406 1.224 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.338 18.681 0.834 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.495 19.182 2.090 1.00 0.00 H new ATOM 1225 N ALA A 79 1.716 17.008 -1.834 1.00 0.00 N ATOM 1226 CA ALA A 79 0.767 15.986 -2.268 1.00 0.00 C ATOM 1227 C ALA A 79 1.371 14.588 -2.286 1.00 0.00 C ATOM 1228 O ALA A 79 0.712 13.609 -1.938 1.00 0.00 O ATOM 1229 CB ALA A 79 0.187 16.377 -3.632 1.00 0.00 C ATOM 0 H ALA A 79 2.104 17.583 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.040 15.941 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.522 15.616 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.324 17.336 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.994 16.458 -4.361 1.00 0.00 H new ATOM 1235 N ILE A 80 2.661 14.518 -2.598 1.00 0.00 N ATOM 1236 CA ILE A 80 3.396 13.260 -2.630 1.00 0.00 C ATOM 1237 C ILE A 80 3.670 12.809 -1.194 1.00 0.00 C ATOM 1238 O ILE A 80 3.496 11.637 -0.890 1.00 0.00 O ATOM 1239 CB ILE A 80 4.669 13.407 -3.486 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.376 13.803 -4.955 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.484 12.106 -3.478 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.585 12.795 -5.802 1.00 0.00 C ATOM 0 H ILE A 80 3.226 15.333 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 80 2.806 12.478 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 80 5.239 14.216 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.828 14.745 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.328 13.991 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.378 12.233 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.774 11.865 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.879 11.295 -3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.448 13.193 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.134 11.855 -5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.611 12.621 -5.345 1.00 0.00 H new ATOM 1254 N LYS A 81 3.952 13.735 -0.268 1.00 0.00 N ATOM 1255 CA LYS A 81 4.214 13.424 1.150 1.00 0.00 C ATOM 1256 C LYS A 81 2.962 12.873 1.819 1.00 0.00 C ATOM 1257 O LYS A 81 3.002 11.856 2.509 1.00 0.00 O ATOM 1258 CB LYS A 81 4.667 14.709 1.863 1.00 0.00 C ATOM 1259 CG LYS A 81 5.218 14.512 3.289 1.00 0.00 C ATOM 1260 CD LYS A 81 6.719 14.820 3.428 1.00 0.00 C ATOM 1261 CE LYS A 81 7.075 16.268 3.070 1.00 0.00 C ATOM 1262 NZ LYS A 81 8.540 16.485 3.141 1.00 0.00 N ATOM 0 H LYS A 81 4.006 14.731 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 81 4.995 12.666 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.436 15.189 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.822 15.396 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.661 15.152 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.039 13.482 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.031 14.619 4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.283 14.144 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.718 16.497 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.569 16.951 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.742 17.505 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.908 16.083 4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.999 16.020 2.332 1.00 0.00 H new ATOM 1276 N ALA A 82 1.847 13.556 1.577 1.00 0.00 N ATOM 1277 CA ALA A 82 0.534 13.163 2.080 1.00 0.00 C ATOM 1278 C ALA A 82 0.099 11.810 1.500 1.00 0.00 C ATOM 1279 O ALA A 82 -0.276 10.905 2.246 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.470 14.278 1.767 1.00 0.00 C ATOM 0 H ALA A 82 1.829 14.409 1.019 1.00 0.00 H new ATOM 0 HA ALA A 82 0.580 13.029 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.455 13.995 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.151 15.201 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.519 14.431 0.689 1.00 0.00 H new ATOM 1286 N ALA A 83 0.212 11.647 0.177 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.107 10.396 -0.504 1.00 0.00 C ATOM 1288 C ALA A 83 0.780 9.236 -0.048 1.00 0.00 C ATOM 1289 O ALA A 83 0.303 8.113 0.102 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.053 10.605 -2.022 1.00 0.00 C ATOM 0 H ALA A 83 0.529 12.386 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.122 10.110 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.292 9.669 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.777 11.368 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.948 10.927 -2.310 1.00 0.00 H new ATOM 1296 N LEU A 84 2.049 9.507 0.257 1.00 0.00 N ATOM 1297 CA LEU A 84 2.982 8.503 0.769 1.00 0.00 C ATOM 1298 C LEU A 84 2.495 7.936 2.096 1.00 0.00 C ATOM 1299 O LEU A 84 2.327 6.726 2.244 1.00 0.00 O ATOM 1300 CB LEU A 84 4.383 9.123 0.901 1.00 0.00 C ATOM 1301 CG LEU A 84 5.551 8.144 0.885 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.664 7.254 2.123 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.488 7.333 -0.410 1.00 0.00 C ATOM 0 H LEU A 84 2.461 10.435 0.155 1.00 0.00 H new ATOM 0 HA LEU A 84 3.036 7.672 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.521 9.836 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.422 9.689 1.832 1.00 0.00 H new ATOM 0 HG LEU A 84 6.468 8.732 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.524 6.593 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.791 7.877 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.758 6.657 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.318 6.627 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.545 6.787 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.556 8.006 -1.265 1.00 0.00 H new ATOM 1315 N ALA A 85 2.211 8.824 3.047 1.00 0.00 N ATOM 1316 CA ALA A 85 1.686 8.432 4.354 1.00 0.00 C ATOM 1317 C ALA A 85 0.313 7.736 4.299 1.00 0.00 C ATOM 1318 O ALA A 85 -0.032 6.985 5.207 1.00 0.00 O ATOM 1319 CB ALA A 85 1.671 9.668 5.260 1.00 0.00 C ATOM 0 H ALA A 85 2.337 9.830 2.935 1.00 0.00 H new ATOM 0 HA ALA A 85 2.348 7.671 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.282 9.395 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.685 10.054 5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.035 10.435 4.818 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.436 7.921 3.213 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.720 7.265 2.953 1.00 0.00 C ATOM 1327 C GLN A 86 -1.522 5.861 2.380 1.00 0.00 C ATOM 1328 O GLN A 86 -2.159 4.900 2.809 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.567 8.178 2.046 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.971 7.645 1.725 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.000 6.693 0.533 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.717 7.051 -0.598 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -4.369 5.449 0.733 1.00 0.00 N ATOM 0 H GLN A 86 -0.157 8.553 2.463 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.262 7.120 3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.664 9.152 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.031 8.335 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.365 7.130 2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.634 8.487 1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.609 5.133 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.416 4.798 -0.051 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.610 5.746 1.423 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.230 4.498 0.771 1.00 0.00 C ATOM 1344 C CYS A 87 0.550 3.559 1.695 1.00 0.00 C ATOM 1345 O CYS A 87 0.459 2.344 1.527 1.00 0.00 O ATOM 1346 CB CYS A 87 0.596 4.821 -0.475 1.00 0.00 C ATOM 1347 SG CYS A 87 0.267 3.589 -1.768 1.00 0.00 S ATOM 0 H CYS A 87 -0.094 6.550 1.066 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.145 3.972 0.497 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.348 5.818 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.657 4.827 -0.227 1.00 0.00 H new ATOM 0 HG CYS A 87 0.970 3.870 -2.825 1.00 0.00 H new ATOM 1353 N GLN A 88 1.266 4.095 2.694 1.00 0.00 N ATOM 1354 CA GLN A 88 1.986 3.285 3.693 1.00 0.00 C ATOM 1355 C GLN A 88 1.060 2.391 4.548 1.00 0.00 C ATOM 1356 O GLN A 88 1.492 1.357 5.058 1.00 0.00 O ATOM 1357 CB GLN A 88 2.848 4.205 4.582 1.00 0.00 C ATOM 1358 CG GLN A 88 3.877 3.388 5.380 1.00 0.00 C ATOM 1359 CD GLN A 88 4.791 4.198 6.295 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.044 3.856 7.437 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.379 5.281 5.846 1.00 0.00 N ATOM 0 H GLN A 88 1.364 5.101 2.834 1.00 0.00 H new ATOM 0 HA GLN A 88 2.628 2.596 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.362 4.939 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.207 4.760 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.343 2.655 5.985 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.496 2.831 4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.196 5.604 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.019 5.800 6.447 1.00 0.00 H new