USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 hydrogens (30 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 400 HEMFE :(H bumps) USER MOD Set 1.1: A 76 SER OG : rot 180:sc= -0.436 USER MOD Set 1.2: A 400 HEM CMB :methyl -30:sc= -0.528 (180deg=-0.0473) USER MOD Set 2.1: A 26 THR OG1 : rot 76:sc= 0.305 USER MOD Set 2.2: A 38 THR OG1 : rot -30:sc= 0.707 USER MOD Set 3.1: A 13 THR OG1 : rot 59:sc= -0.0528 USER MOD Set 3.2: A 85 HIS : no HD1:sc= -1.12 X(o=-1.2,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 144:sc= 0.0633 (180deg=-0.057) USER MOD Single : A 10 LYS NZ :NH3+ -161:sc= -0.159 (180deg=-0.599) USER MOD Single : A 11 TYR OH : rot -122:sc= 1.21 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 159:sc= -0.0656 (180deg=-0.376) USER MOD Single : A 20 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.8!) USER MOD Single : A 21 ASN : amide:sc= 0.0805 K(o=0.081,f=-5!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.185 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0917 USER MOD Single : A 31 HIS : no HD1:sc= -0.006 X(o=-0.006,f=-0.12) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 1.19 (180deg=1.09) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.361 K(o=0.36,f=-0.85) USER MOD Single : A 60 THR OG1 : rot 63:sc= 2.02 USER MOD Single : A 62 ASN : amide:sc= -0.0921 K(o=-0.092,f=-0.69) USER MOD Single : A 69 SER OG : rot -82:sc= 0.94 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -44:sc= 0.0349 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0181) USER MOD Single : A 93 SER OG : rot 180:sc= -1.37 USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= 1.72 (180deg=0.248!) USER MOD Single : A 96 MET CE :methyl 172:sc= 0 (180deg=-0.0595) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0371 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 400 HEM CMA :methyl -30:sc= -2.37 (180deg=-4.06!) USER MOD Single : A 400 HEM CMC :methyl -30:sc= -0.706 (180deg=-4.57!) USER MOD Single : A 400 HEM CMD :methyl -30:sc= -1.33 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.845 -13.797 17.325 1.00 1.40 N ATOM 2 CA MET A 1 19.822 -13.469 18.339 1.00 1.19 C ATOM 3 C MET A 1 18.585 -12.868 17.682 1.00 1.07 C ATOM 4 O MET A 1 17.549 -13.524 17.584 1.00 1.47 O ATOM 5 CB MET A 1 20.383 -12.491 19.372 1.00 1.39 C ATOM 6 CG MET A 1 21.022 -13.165 20.573 1.00 1.77 C ATOM 7 SD MET A 1 21.753 -11.979 21.718 1.00 2.23 S ATOM 8 CE MET A 1 22.383 -13.076 22.987 1.00 2.70 C ATOM 0 H1 MET A 1 21.679 -14.205 17.793 1.00 1.40 H new ATOM 0 H2 MET A 1 20.456 -14.485 16.649 1.00 1.40 H new ATOM 0 H3 MET A 1 21.121 -12.932 16.818 1.00 1.40 H new ATOM 0 HA MET A 1 19.540 -14.394 18.842 1.00 1.19 H new ATOM 0 HB2 MET A 1 21.123 -11.853 18.889 1.00 1.39 H new ATOM 0 HB3 MET A 1 19.579 -11.841 19.717 1.00 1.39 H new ATOM 0 HG2 MET A 1 20.271 -13.756 21.097 1.00 1.77 H new ATOM 0 HG3 MET A 1 21.791 -13.858 20.231 1.00 1.77 H new ATOM 0 HE1 MET A 1 22.865 -12.489 23.769 1.00 2.70 H new ATOM 0 HE2 MET A 1 21.559 -13.646 23.417 1.00 2.70 H new ATOM 0 HE3 MET A 1 23.108 -13.761 22.548 1.00 2.70 H new ATOM 20 N ALA A 2 18.696 -11.626 17.223 1.00 0.86 N ATOM 21 CA ALA A 2 17.577 -10.948 16.585 1.00 0.87 C ATOM 22 C ALA A 2 17.894 -10.586 15.134 1.00 0.72 C ATOM 23 O ALA A 2 18.300 -9.462 14.836 1.00 0.87 O ATOM 24 CB ALA A 2 17.204 -9.702 17.378 1.00 1.10 C ATOM 0 H ALA A 2 19.549 -11.070 17.281 1.00 0.86 H new ATOM 0 HA ALA A 2 16.728 -11.632 16.574 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.366 -9.200 16.894 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.921 -9.987 18.391 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.058 -9.026 17.417 1.00 1.10 H new ATOM 30 N ALA A 3 17.721 -11.546 14.237 1.00 0.71 N ATOM 31 CA ALA A 3 17.975 -11.329 12.820 1.00 0.72 C ATOM 32 C ALA A 3 17.222 -12.353 11.984 1.00 0.70 C ATOM 33 O ALA A 3 17.601 -13.524 11.937 1.00 1.05 O ATOM 34 CB ALA A 3 19.470 -11.400 12.525 1.00 0.96 C ATOM 0 H ALA A 3 17.404 -12.488 14.467 1.00 0.71 H new ATOM 0 HA ALA A 3 17.619 -10.333 12.556 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.639 -11.235 11.461 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.991 -10.633 13.098 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.850 -12.383 12.805 1.00 0.96 H new ATOM 40 N GLN A 4 16.143 -11.916 11.342 1.00 0.66 N ATOM 41 CA GLN A 4 15.341 -12.797 10.506 1.00 0.68 C ATOM 42 C GLN A 4 14.901 -12.077 9.237 1.00 0.66 C ATOM 43 O GLN A 4 14.707 -10.863 9.242 1.00 0.81 O ATOM 44 CB GLN A 4 14.121 -13.312 11.276 1.00 0.83 C ATOM 45 CG GLN A 4 13.232 -12.215 11.848 1.00 0.97 C ATOM 46 CD GLN A 4 11.917 -12.753 12.381 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.836 -13.894 12.840 1.00 1.79 O ATOM 48 NE2 GLN A 4 10.875 -11.937 12.323 1.00 1.63 N ATOM 0 H GLN A 4 15.805 -10.955 11.386 1.00 0.66 H new ATOM 0 HA GLN A 4 15.956 -13.651 10.224 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.524 -13.938 10.612 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.463 -13.949 12.092 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.763 -11.702 12.650 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.031 -11.474 11.074 1.00 0.97 H new ATOM 0 HE21 GLN A 4 10.982 -10.999 11.936 1.00 1.63 H new ATOM 0 HE22 GLN A 4 9.965 -12.246 12.666 1.00 1.63 H new ATOM 57 N SER A 5 14.745 -12.830 8.159 1.00 0.71 N ATOM 58 CA SER A 5 14.338 -12.267 6.878 1.00 0.76 C ATOM 59 C SER A 5 13.247 -13.120 6.238 1.00 0.73 C ATOM 60 O SER A 5 13.491 -13.852 5.279 1.00 1.11 O ATOM 61 CB SER A 5 15.547 -12.168 5.947 1.00 0.98 C ATOM 62 OG SER A 5 16.701 -11.750 6.657 1.00 1.18 O ATOM 0 H SER A 5 14.895 -13.839 8.145 1.00 0.71 H new ATOM 0 HA SER A 5 13.936 -11.268 7.047 1.00 0.76 H new ATOM 0 HB2 SER A 5 15.733 -13.136 5.482 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.335 -11.463 5.143 1.00 0.98 H new ATOM 0 HG SER A 5 17.462 -11.695 6.042 1.00 1.18 H new ATOM 68 N ASP A 6 12.043 -13.021 6.779 1.00 0.62 N ATOM 69 CA ASP A 6 10.913 -13.785 6.270 1.00 0.68 C ATOM 70 C ASP A 6 10.297 -13.097 5.064 1.00 0.58 C ATOM 71 O ASP A 6 10.046 -11.893 5.085 1.00 0.80 O ATOM 72 CB ASP A 6 9.852 -13.963 7.356 1.00 0.89 C ATOM 73 CG ASP A 6 10.251 -14.985 8.395 1.00 1.54 C ATOM 74 OD1 ASP A 6 10.918 -14.606 9.382 1.00 2.18 O ATOM 75 OD2 ASP A 6 9.898 -16.170 8.241 1.00 1.98 O ATOM 0 H ASP A 6 11.822 -12.418 7.572 1.00 0.62 H new ATOM 0 HA ASP A 6 11.281 -14.765 5.967 1.00 0.68 H new ATOM 0 HB2 ASP A 6 9.672 -13.005 7.844 1.00 0.89 H new ATOM 0 HB3 ASP A 6 8.912 -14.267 6.895 1.00 0.89 H new ATOM 80 N LYS A 7 10.060 -13.867 4.017 1.00 0.54 N ATOM 81 CA LYS A 7 9.464 -13.339 2.803 1.00 0.58 C ATOM 82 C LYS A 7 8.160 -14.067 2.512 1.00 0.53 C ATOM 83 O LYS A 7 8.120 -15.013 1.723 1.00 0.85 O ATOM 84 CB LYS A 7 10.430 -13.466 1.623 1.00 0.81 C ATOM 85 CG LYS A 7 11.634 -12.541 1.727 1.00 1.05 C ATOM 86 CD LYS A 7 11.243 -11.085 1.524 1.00 1.24 C ATOM 87 CE LYS A 7 12.405 -10.154 1.814 1.00 1.58 C ATOM 88 NZ LYS A 7 12.264 -8.856 1.105 1.00 1.91 N ATOM 0 H LYS A 7 10.272 -14.864 3.983 1.00 0.54 H new ATOM 0 HA LYS A 7 9.252 -12.280 2.947 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.778 -14.497 1.557 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.894 -13.250 0.699 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.101 -12.660 2.705 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.377 -12.826 0.982 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.904 -10.937 0.499 1.00 1.24 H new ATOM 0 HD3 LYS A 7 10.405 -10.837 2.176 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.469 -9.976 2.888 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.337 -10.632 1.514 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.630 -8.090 1.706 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.803 -8.886 0.216 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.260 -8.682 0.896 1.00 1.91 H new ATOM 102 N ASP A 8 7.104 -13.635 3.182 1.00 0.50 N ATOM 103 CA ASP A 8 5.785 -14.233 3.016 1.00 0.54 C ATOM 104 C ASP A 8 4.834 -13.228 2.385 1.00 0.51 C ATOM 105 O ASP A 8 4.626 -12.140 2.919 1.00 0.83 O ATOM 106 CB ASP A 8 5.240 -14.688 4.371 1.00 0.75 C ATOM 107 CG ASP A 8 4.147 -15.733 4.253 1.00 1.00 C ATOM 108 OD1 ASP A 8 3.393 -15.716 3.260 1.00 1.72 O ATOM 109 OD2 ASP A 8 4.042 -16.583 5.163 1.00 1.44 O ATOM 0 H ASP A 8 7.134 -12.866 3.852 1.00 0.50 H new ATOM 0 HA ASP A 8 5.871 -15.100 2.361 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.058 -15.092 4.967 1.00 0.75 H new ATOM 0 HB3 ASP A 8 4.851 -13.823 4.908 1.00 0.75 H new ATOM 114 N VAL A 9 4.271 -13.586 1.241 1.00 0.39 N ATOM 115 CA VAL A 9 3.346 -12.708 0.545 1.00 0.35 C ATOM 116 C VAL A 9 1.901 -13.104 0.855 1.00 0.33 C ATOM 117 O VAL A 9 1.306 -13.957 0.189 1.00 0.44 O ATOM 118 CB VAL A 9 3.612 -12.699 -0.987 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.707 -14.114 -1.546 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.554 -11.889 -1.731 1.00 0.47 C ATOM 0 H VAL A 9 4.439 -14.478 0.776 1.00 0.39 H new ATOM 0 HA VAL A 9 3.508 -11.692 0.905 1.00 0.35 H new ATOM 0 HB VAL A 9 4.576 -12.214 -1.144 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.893 -14.070 -2.619 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.525 -14.644 -1.057 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.771 -14.642 -1.362 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.770 -11.903 -2.799 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.571 -12.325 -1.553 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.565 -10.860 -1.372 1.00 0.47 H new ATOM 130 N LYS A 10 1.348 -12.504 1.897 1.00 0.30 N ATOM 131 CA LYS A 10 -0.018 -12.790 2.292 1.00 0.34 C ATOM 132 C LYS A 10 -0.994 -11.975 1.450 1.00 0.34 C ATOM 133 O LYS A 10 -0.836 -10.765 1.291 1.00 0.48 O ATOM 134 CB LYS A 10 -0.222 -12.505 3.780 1.00 0.42 C ATOM 135 CG LYS A 10 -1.640 -12.774 4.253 1.00 0.93 C ATOM 136 CD LYS A 10 -1.669 -13.442 5.619 1.00 0.98 C ATOM 137 CE LYS A 10 -1.247 -14.905 5.545 1.00 1.27 C ATOM 138 NZ LYS A 10 -2.078 -15.683 4.580 1.00 1.97 N ATOM 0 H LYS A 10 1.824 -11.818 2.482 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.212 -13.849 2.120 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.469 -13.118 4.359 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.030 -11.464 3.982 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.192 -11.835 4.297 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -2.149 -13.409 3.528 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -1.006 -12.907 6.299 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.674 -13.375 6.035 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -0.199 -14.965 5.250 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -1.326 -15.355 6.535 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.989 -16.699 4.785 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -3.074 -15.397 4.671 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -1.751 -15.496 3.611 1.00 1.97 H new ATOM 152 N TYR A 11 -1.994 -12.641 0.905 1.00 0.34 N ATOM 153 CA TYR A 11 -2.984 -11.984 0.072 1.00 0.35 C ATOM 154 C TYR A 11 -4.104 -11.387 0.919 1.00 0.33 C ATOM 155 O TYR A 11 -4.823 -12.108 1.613 1.00 0.39 O ATOM 156 CB TYR A 11 -3.549 -12.974 -0.948 1.00 0.43 C ATOM 157 CG TYR A 11 -2.692 -13.105 -2.183 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.498 -13.816 -2.152 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.066 -12.510 -3.377 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.707 -13.929 -3.276 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.280 -12.618 -4.505 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.102 -13.326 -4.448 1.00 0.83 C ATOM 163 OH TYR A 11 -0.315 -13.428 -5.570 1.00 1.03 O ATOM 0 H TYR A 11 -2.143 -13.643 1.025 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.498 -11.167 -0.461 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.651 -13.952 -0.478 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.550 -12.655 -1.240 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.185 -14.288 -1.232 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.989 -11.952 -3.425 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.217 -14.487 -3.237 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.588 -12.149 -5.428 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.073 -12.531 -5.882 1.00 1.03 H new ATOM 173 N TYR A 12 -4.243 -10.068 0.852 1.00 0.37 N ATOM 174 CA TYR A 12 -5.267 -9.354 1.604 1.00 0.41 C ATOM 175 C TYR A 12 -6.391 -8.916 0.672 1.00 0.42 C ATOM 176 O TYR A 12 -6.183 -8.763 -0.536 1.00 0.45 O ATOM 177 CB TYR A 12 -4.666 -8.130 2.302 1.00 0.45 C ATOM 178 CG TYR A 12 -3.569 -8.453 3.294 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.833 -9.195 4.438 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.270 -8.008 3.088 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.832 -9.487 5.347 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.262 -8.296 3.993 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.547 -9.036 5.122 1.00 0.82 C ATOM 184 OH TYR A 12 -0.546 -9.327 6.027 1.00 1.02 O ATOM 0 H TYR A 12 -3.652 -9.466 0.278 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.670 -10.026 2.361 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.268 -7.454 1.545 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.462 -7.595 2.820 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.836 -9.550 4.621 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -2.042 -7.427 2.207 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.055 -10.066 6.231 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.257 -7.943 3.816 1.00 0.82 H new ATOM 0 HH TYR A 12 0.298 -8.936 5.718 1.00 1.02 H new ATOM 194 N THR A 13 -7.576 -8.723 1.223 1.00 0.47 N ATOM 195 CA THR A 13 -8.723 -8.304 0.433 1.00 0.51 C ATOM 196 C THR A 13 -8.808 -6.775 0.378 1.00 0.47 C ATOM 197 O THR A 13 -8.242 -6.084 1.231 1.00 0.46 O ATOM 198 CB THR A 13 -10.027 -8.892 1.015 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.720 -10.058 1.792 1.00 0.77 O ATOM 200 CG2 THR A 13 -11.004 -9.271 -0.089 1.00 0.86 C ATOM 0 H THR A 13 -7.771 -8.850 2.216 1.00 0.47 H new ATOM 0 HA THR A 13 -8.595 -8.681 -0.582 1.00 0.51 H new ATOM 0 HB THR A 13 -10.492 -8.131 1.641 1.00 0.62 H new ATOM 0 HG1 THR A 13 -9.107 -9.816 2.518 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.912 -9.682 0.353 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.254 -8.386 -0.673 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.547 -10.018 -0.739 1.00 0.86 H new ATOM 208 N LEU A 14 -9.512 -6.256 -0.625 1.00 0.50 N ATOM 209 CA LEU A 14 -9.663 -4.812 -0.815 1.00 0.51 C ATOM 210 C LEU A 14 -10.204 -4.122 0.439 1.00 0.48 C ATOM 211 O LEU A 14 -9.675 -3.099 0.876 1.00 0.51 O ATOM 212 CB LEU A 14 -10.602 -4.540 -1.990 1.00 0.58 C ATOM 213 CG LEU A 14 -10.771 -3.065 -2.365 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.539 -2.550 -3.096 1.00 1.00 C ATOM 215 CD2 LEU A 14 -12.019 -2.872 -3.214 1.00 0.95 C ATOM 0 H LEU A 14 -9.992 -6.819 -1.327 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.674 -4.403 -1.022 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.232 -5.079 -2.862 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.583 -4.952 -1.753 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.886 -2.489 -1.447 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.681 -1.500 -3.353 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.665 -2.651 -2.452 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.388 -3.129 -4.007 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.124 -1.818 -3.472 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.933 -3.462 -4.126 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.895 -3.197 -2.653 1.00 0.95 H new ATOM 227 N GLU A 15 -11.245 -4.700 1.021 1.00 0.50 N ATOM 228 CA GLU A 15 -11.882 -4.143 2.211 1.00 0.53 C ATOM 229 C GLU A 15 -10.983 -4.222 3.448 1.00 0.51 C ATOM 230 O GLU A 15 -11.320 -3.674 4.496 1.00 0.61 O ATOM 231 CB GLU A 15 -13.205 -4.869 2.486 1.00 0.61 C ATOM 232 CG GLU A 15 -13.064 -6.380 2.628 1.00 0.67 C ATOM 233 CD GLU A 15 -13.338 -7.124 1.337 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.829 -6.700 0.278 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.053 -8.147 1.380 1.00 1.05 O ATOM 0 H GLU A 15 -11.672 -5.564 0.686 1.00 0.50 H new ATOM 0 HA GLU A 15 -12.069 -3.088 2.011 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.645 -4.468 3.399 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.901 -4.654 1.675 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.056 -6.615 2.969 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.751 -6.733 3.397 1.00 0.67 H new ATOM 242 N GLU A 16 -9.848 -4.896 3.327 1.00 0.46 N ATOM 243 CA GLU A 16 -8.928 -5.040 4.447 1.00 0.50 C ATOM 244 C GLU A 16 -7.770 -4.053 4.357 1.00 0.46 C ATOM 245 O GLU A 16 -7.343 -3.495 5.371 1.00 0.51 O ATOM 246 CB GLU A 16 -8.395 -6.470 4.511 1.00 0.58 C ATOM 247 CG GLU A 16 -9.343 -7.425 5.213 1.00 1.05 C ATOM 248 CD GLU A 16 -9.306 -8.826 4.644 1.00 1.60 C ATOM 249 OE1 GLU A 16 -8.367 -9.145 3.879 1.00 2.32 O ATOM 250 OE2 GLU A 16 -10.227 -9.612 4.945 1.00 2.19 O ATOM 0 H GLU A 16 -9.542 -5.351 2.467 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.482 -4.820 5.360 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -8.210 -6.829 3.498 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.436 -6.472 5.030 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -9.091 -7.463 6.273 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -10.359 -7.037 5.141 1.00 1.05 H new ATOM 257 N ILE A 17 -7.263 -3.833 3.150 1.00 0.42 N ATOM 258 CA ILE A 17 -6.147 -2.915 2.957 1.00 0.44 C ATOM 259 C ILE A 17 -6.584 -1.463 3.127 1.00 0.43 C ATOM 260 O ILE A 17 -5.851 -0.650 3.689 1.00 0.48 O ATOM 261 CB ILE A 17 -5.466 -3.098 1.581 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.497 -3.163 0.449 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.602 -4.348 1.585 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.557 -1.906 -0.388 1.00 0.98 C ATOM 0 H ILE A 17 -7.604 -4.274 2.296 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.417 -3.158 3.729 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.832 -2.229 1.402 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.262 -4.009 -0.197 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.482 -3.352 0.876 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -4.128 -4.466 0.611 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.834 -4.257 2.353 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.223 -5.219 1.794 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.308 -2.024 -1.169 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.823 -1.060 0.245 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.584 -1.726 -0.845 1.00 0.98 H new ATOM 276 N LYS A 18 -7.793 -1.143 2.672 1.00 0.42 N ATOM 277 CA LYS A 18 -8.311 0.220 2.784 1.00 0.48 C ATOM 278 C LYS A 18 -8.873 0.476 4.181 1.00 0.50 C ATOM 279 O LYS A 18 -9.405 1.547 4.466 1.00 0.63 O ATOM 280 CB LYS A 18 -9.392 0.484 1.731 1.00 0.56 C ATOM 281 CG LYS A 18 -10.663 -0.331 1.928 1.00 0.53 C ATOM 282 CD LYS A 18 -11.856 0.316 1.236 1.00 0.87 C ATOM 283 CE LYS A 18 -11.673 0.379 -0.271 1.00 1.05 C ATOM 284 NZ LYS A 18 -12.581 1.375 -0.900 1.00 1.48 N ATOM 0 H LYS A 18 -8.429 -1.803 2.225 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.480 0.904 2.610 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.647 1.544 1.745 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.983 0.267 0.744 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.515 -1.337 1.535 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.870 -0.432 2.993 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.760 -0.247 1.468 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.999 1.324 1.626 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.639 0.635 -0.500 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.860 -0.605 -0.701 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -12.425 1.387 -1.928 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -13.569 1.117 -0.703 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -12.385 2.319 -0.509 1.00 1.48 H new ATOM 298 N LYS A 19 -8.760 -0.520 5.046 1.00 0.47 N ATOM 299 CA LYS A 19 -9.249 -0.409 6.410 1.00 0.53 C ATOM 300 C LYS A 19 -8.096 -0.568 7.394 1.00 0.54 C ATOM 301 O LYS A 19 -8.262 -1.091 8.497 1.00 0.67 O ATOM 302 CB LYS A 19 -10.328 -1.462 6.670 1.00 0.60 C ATOM 303 CG LYS A 19 -11.354 -1.045 7.711 1.00 0.84 C ATOM 304 CD LYS A 19 -12.268 0.059 7.194 1.00 1.09 C ATOM 305 CE LYS A 19 -13.418 -0.500 6.369 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.369 -1.285 7.200 1.00 1.68 N ATOM 0 H LYS A 19 -8.331 -1.419 4.825 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.689 0.578 6.550 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.842 -1.681 5.734 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.850 -2.386 6.995 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.954 -1.909 7.997 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.841 -0.701 8.609 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.666 0.625 8.036 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.690 0.755 6.587 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -13.950 0.320 5.886 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.021 -1.134 5.576 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.287 -1.344 6.715 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.992 -2.243 7.347 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.494 -0.817 8.120 1.00 1.68 H new ATOM 320 N HIS A 20 -6.922 -0.131 6.971 1.00 0.55 N ATOM 321 CA HIS A 20 -5.726 -0.200 7.807 1.00 0.59 C ATOM 322 C HIS A 20 -4.960 1.116 7.746 1.00 0.58 C ATOM 323 O HIS A 20 -4.011 1.332 8.494 1.00 0.66 O ATOM 324 CB HIS A 20 -4.818 -1.346 7.350 1.00 0.68 C ATOM 325 CG HIS A 20 -5.002 -2.616 8.120 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.872 -3.614 7.735 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.405 -3.057 9.250 1.00 0.98 C ATOM 328 CE1 HIS A 20 -5.799 -4.611 8.595 1.00 1.07 C ATOM 329 NE2 HIS A 20 -4.913 -4.303 9.525 1.00 1.13 N ATOM 0 H HIS A 20 -6.767 0.278 6.050 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.038 -0.384 8.835 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.004 -1.544 6.294 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.779 -1.029 7.437 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.477 -3.586 6.914 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.664 -2.527 9.830 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.369 -5.527 8.547 1.00 1.07 H new ATOM 338 N ASN A 21 -5.417 2.008 6.878 1.00 0.58 N ATOM 339 CA ASN A 21 -4.776 3.305 6.672 1.00 0.61 C ATOM 340 C ASN A 21 -5.089 4.282 7.807 1.00 0.60 C ATOM 341 O ASN A 21 -5.655 5.353 7.590 1.00 0.75 O ATOM 342 CB ASN A 21 -5.214 3.896 5.324 1.00 0.72 C ATOM 343 CG ASN A 21 -6.725 4.078 5.199 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.509 3.386 5.853 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.140 4.998 4.339 1.00 0.88 N ATOM 0 H ASN A 21 -6.241 1.856 6.296 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.698 3.147 6.666 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.727 4.861 5.185 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.867 3.245 4.521 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.139 5.153 4.200 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.461 5.551 3.816 1.00 0.88 H new ATOM 352 N HIS A 22 -4.708 3.916 9.020 1.00 0.64 N ATOM 353 CA HIS A 22 -4.959 4.761 10.176 1.00 0.76 C ATOM 354 C HIS A 22 -3.684 5.453 10.643 1.00 0.88 C ATOM 355 O HIS A 22 -3.455 6.613 10.307 1.00 1.61 O ATOM 356 CB HIS A 22 -5.589 3.950 11.309 1.00 0.83 C ATOM 357 CG HIS A 22 -7.076 3.816 11.183 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.912 3.636 12.261 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.878 3.842 10.090 1.00 1.17 C ATOM 360 CE1 HIS A 22 -9.160 3.555 11.841 1.00 1.29 C ATOM 361 NE2 HIS A 22 -9.167 3.675 10.527 1.00 1.09 N ATOM 0 H HIS A 22 -4.225 3.042 9.229 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.664 5.537 9.878 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -5.141 2.956 11.328 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.353 4.424 12.262 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -7.561 3.970 9.066 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -10.029 3.414 12.467 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.996 3.648 9.933 1.00 1.09 H new ATOM 370 N SER A 23 -2.849 4.746 11.403 1.00 0.60 N ATOM 371 CA SER A 23 -1.613 5.338 11.903 1.00 0.62 C ATOM 372 C SER A 23 -0.408 4.413 11.715 1.00 0.52 C ATOM 373 O SER A 23 0.402 4.609 10.811 1.00 0.62 O ATOM 374 CB SER A 23 -1.774 5.689 13.384 1.00 0.84 C ATOM 375 OG SER A 23 -2.402 4.629 14.090 1.00 1.32 O ATOM 0 H SER A 23 -3.003 3.777 11.682 1.00 0.60 H new ATOM 0 HA SER A 23 -1.422 6.241 11.323 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.797 5.894 13.822 1.00 0.84 H new ATOM 0 HB3 SER A 23 -2.366 6.599 13.484 1.00 0.84 H new ATOM 0 HG SER A 23 -2.493 4.874 15.035 1.00 1.32 H new ATOM 381 N LYS A 24 -0.307 3.396 12.563 1.00 0.51 N ATOM 382 CA LYS A 24 0.809 2.455 12.516 1.00 0.51 C ATOM 383 C LYS A 24 0.534 1.277 11.576 1.00 0.44 C ATOM 384 O LYS A 24 0.988 0.157 11.814 1.00 0.45 O ATOM 385 CB LYS A 24 1.123 1.949 13.932 1.00 0.71 C ATOM 386 CG LYS A 24 -0.075 1.347 14.657 1.00 0.97 C ATOM 387 CD LYS A 24 -0.094 1.730 16.131 1.00 1.41 C ATOM 388 CE LYS A 24 1.151 1.237 16.850 1.00 1.88 C ATOM 389 NZ LYS A 24 1.262 1.805 18.217 1.00 2.36 N ATOM 0 H LYS A 24 -0.988 3.200 13.296 1.00 0.51 H new ATOM 0 HA LYS A 24 1.674 2.986 12.118 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.912 1.199 13.872 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.514 2.777 14.524 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.996 1.686 14.181 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.049 0.261 14.564 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.165 2.814 16.226 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -0.980 1.310 16.606 1.00 1.41 H new ATOM 0 HE2 LYS A 24 1.129 0.149 16.910 1.00 1.88 H new ATOM 0 HE3 LYS A 24 2.035 1.507 16.272 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 2.124 1.444 18.674 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 1.309 2.842 18.159 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 0.431 1.527 18.777 1.00 2.36 H new ATOM 403 N SER A 25 -0.200 1.536 10.506 1.00 0.43 N ATOM 404 CA SER A 25 -0.520 0.506 9.527 1.00 0.42 C ATOM 405 C SER A 25 -0.717 1.144 8.157 1.00 0.42 C ATOM 406 O SER A 25 -1.523 0.687 7.348 1.00 0.50 O ATOM 407 CB SER A 25 -1.778 -0.257 9.952 1.00 0.48 C ATOM 408 OG SER A 25 -1.653 -0.751 11.276 1.00 0.83 O ATOM 0 H SER A 25 -0.588 2.455 10.291 1.00 0.43 H new ATOM 0 HA SER A 25 0.306 -0.203 9.470 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.645 0.400 9.886 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.953 -1.086 9.266 1.00 0.48 H new ATOM 0 HG SER A 25 -2.470 -1.233 11.524 1.00 0.83 H new ATOM 414 N THR A 26 0.031 2.210 7.914 1.00 0.42 N ATOM 415 CA THR A 26 -0.051 2.938 6.659 1.00 0.43 C ATOM 416 C THR A 26 0.512 2.111 5.504 1.00 0.36 C ATOM 417 O THR A 26 1.721 2.095 5.259 1.00 0.41 O ATOM 418 CB THR A 26 0.693 4.282 6.763 1.00 0.51 C ATOM 419 OG1 THR A 26 0.272 4.967 7.952 1.00 0.64 O ATOM 420 CG2 THR A 26 0.423 5.157 5.546 1.00 0.56 C ATOM 0 H THR A 26 0.707 2.592 8.576 1.00 0.42 H new ATOM 0 HA THR A 26 -1.104 3.134 6.456 1.00 0.43 H new ATOM 0 HB THR A 26 1.763 4.081 6.806 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.692 4.553 8.734 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.962 6.099 5.648 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.760 4.642 4.646 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.646 5.357 5.471 1.00 0.56 H new ATOM 428 N TRP A 27 -0.380 1.411 4.813 1.00 0.35 N ATOM 429 CA TRP A 27 0.000 0.577 3.684 1.00 0.33 C ATOM 430 C TRP A 27 -0.340 1.274 2.371 1.00 0.32 C ATOM 431 O TRP A 27 -1.409 1.874 2.232 1.00 0.36 O ATOM 432 CB TRP A 27 -0.719 -0.777 3.751 1.00 0.38 C ATOM 433 CG TRP A 27 -0.307 -1.629 4.919 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.778 -1.444 5.725 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.972 -2.804 5.403 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.829 -2.428 6.681 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.233 -3.275 6.505 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.121 -3.502 5.014 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.604 -4.412 7.219 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.487 -4.631 5.726 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.731 -5.073 6.818 1.00 0.71 C ATOM 0 H TRP A 27 -1.379 1.406 5.019 1.00 0.35 H new ATOM 0 HA TRP A 27 1.076 0.410 3.730 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.794 -0.604 3.801 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.527 -1.325 2.829 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.493 -0.640 5.626 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.542 -2.514 7.405 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.711 -3.166 4.174 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.022 -4.759 8.060 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.370 -5.180 5.434 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.045 -5.956 7.355 1.00 0.71 H new ATOM 452 N LEU A 28 0.574 1.207 1.417 1.00 0.32 N ATOM 453 CA LEU A 28 0.367 1.816 0.112 1.00 0.33 C ATOM 454 C LEU A 28 0.364 0.738 -0.961 1.00 0.32 C ATOM 455 O LEU A 28 1.198 -0.168 -0.939 1.00 0.32 O ATOM 456 CB LEU A 28 1.455 2.854 -0.180 1.00 0.36 C ATOM 457 CG LEU A 28 0.965 4.298 -0.331 1.00 0.56 C ATOM 458 CD1 LEU A 28 2.114 5.275 -0.144 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.323 4.498 -1.694 1.00 0.99 C ATOM 0 H LEU A 28 1.472 0.734 1.522 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.597 2.325 0.111 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.190 2.820 0.624 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.971 2.566 -1.096 1.00 0.36 H new ATOM 0 HG LEU A 28 0.219 4.490 0.440 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.746 6.295 -0.255 1.00 0.85 H new ATOM 0 HD12 LEU A 28 2.540 5.149 0.851 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.881 5.082 -0.894 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.020 5.528 -1.787 1.00 0.99 H new ATOM 0 HD22 LEU A 28 1.054 4.287 -2.475 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.526 3.822 -1.799 1.00 0.99 H new ATOM 471 N ILE A 29 -0.573 0.830 -1.891 1.00 0.35 N ATOM 472 CA ILE A 29 -0.682 -0.151 -2.955 1.00 0.36 C ATOM 473 C ILE A 29 -0.031 0.365 -4.234 1.00 0.36 C ATOM 474 O ILE A 29 -0.425 1.400 -4.777 1.00 0.39 O ATOM 475 CB ILE A 29 -2.159 -0.537 -3.231 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.735 -1.337 -2.055 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.282 -1.340 -4.519 1.00 0.44 C ATOM 478 CD1 ILE A 29 -3.238 -0.478 -0.911 1.00 0.80 C ATOM 0 H ILE A 29 -1.269 1.575 -1.929 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.156 -1.046 -2.624 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.730 0.384 -3.344 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -3.555 -1.957 -2.418 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -1.967 -2.013 -1.678 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.327 -1.598 -4.689 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.915 -0.745 -5.355 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.692 -2.253 -4.436 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -3.629 -1.118 -0.120 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -2.417 0.123 -0.519 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.030 0.179 -1.270 1.00 0.80 H new ATOM 490 N LEU A 30 0.989 -0.353 -4.686 1.00 0.34 N ATOM 491 CA LEU A 30 1.710 -0.001 -5.900 1.00 0.37 C ATOM 492 C LEU A 30 1.878 -1.241 -6.768 1.00 0.38 C ATOM 493 O LEU A 30 2.475 -2.225 -6.335 1.00 0.38 O ATOM 494 CB LEU A 30 3.087 0.587 -5.566 1.00 0.38 C ATOM 495 CG LEU A 30 3.088 1.759 -4.580 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.491 2.007 -4.052 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.542 3.012 -5.243 1.00 0.48 C ATOM 0 H LEU A 30 1.338 -1.192 -4.223 1.00 0.34 H new ATOM 0 HA LEU A 30 1.136 0.752 -6.440 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.712 -0.208 -5.158 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.556 0.916 -6.493 1.00 0.38 H new ATOM 0 HG LEU A 30 2.442 1.504 -3.740 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.474 2.843 -3.353 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.851 1.114 -3.541 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.156 2.242 -4.883 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.550 3.835 -4.528 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.163 3.270 -6.100 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.520 2.831 -5.577 1.00 0.48 H new ATOM 509 N HIS A 31 1.329 -1.194 -7.979 1.00 0.41 N ATOM 510 CA HIS A 31 1.403 -2.312 -8.922 1.00 0.43 C ATOM 511 C HIS A 31 0.686 -3.539 -8.364 1.00 0.42 C ATOM 512 O HIS A 31 1.142 -4.668 -8.544 1.00 0.45 O ATOM 513 CB HIS A 31 2.856 -2.663 -9.260 1.00 0.47 C ATOM 514 CG HIS A 31 3.365 -2.002 -10.501 1.00 0.66 C ATOM 515 ND1 HIS A 31 2.804 -2.194 -11.746 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.399 -1.148 -10.685 1.00 1.10 C ATOM 517 CE1 HIS A 31 3.472 -1.488 -12.640 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.443 -0.845 -12.023 1.00 1.18 N ATOM 0 H HIS A 31 0.822 -0.384 -8.336 1.00 0.41 H new ATOM 0 HA HIS A 31 0.905 -1.999 -9.840 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.493 -2.380 -8.422 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.942 -3.744 -9.374 1.00 0.47 H new ATOM 0 HD2 HIS A 31 5.065 -0.775 -9.921 1.00 1.10 H new ATOM 0 HE1 HIS A 31 3.259 -1.445 -13.698 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.118 -0.223 -12.468 1.00 1.18 H new ATOM 527 N HIS A 32 -0.436 -3.295 -7.677 1.00 0.42 N ATOM 528 CA HIS A 32 -1.260 -4.352 -7.074 1.00 0.44 C ATOM 529 C HIS A 32 -0.554 -5.023 -5.893 1.00 0.40 C ATOM 530 O HIS A 32 -0.998 -6.066 -5.405 1.00 0.44 O ATOM 531 CB HIS A 32 -1.656 -5.408 -8.118 1.00 0.52 C ATOM 532 CG HIS A 32 -2.461 -4.862 -9.255 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.069 -4.958 -10.572 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.651 -4.219 -9.267 1.00 0.85 C ATOM 535 CE1 HIS A 32 -2.981 -4.400 -11.342 1.00 1.09 C ATOM 536 NE2 HIS A 32 -3.953 -3.944 -10.577 1.00 0.97 N ATOM 0 H HIS A 32 -0.801 -2.355 -7.522 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.163 -3.872 -6.698 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.752 -5.870 -8.514 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.227 -6.195 -7.626 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.252 -3.969 -8.405 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -2.939 -4.328 -12.419 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.792 -3.465 -10.905 1.00 0.97 H new ATOM 545 N LYS A 33 0.535 -4.424 -5.435 1.00 0.37 N ATOM 546 CA LYS A 33 1.286 -4.963 -4.312 1.00 0.37 C ATOM 547 C LYS A 33 1.107 -4.072 -3.088 1.00 0.33 C ATOM 548 O LYS A 33 1.039 -2.849 -3.211 1.00 0.36 O ATOM 549 CB LYS A 33 2.772 -5.070 -4.665 1.00 0.40 C ATOM 550 CG LYS A 33 3.041 -5.649 -6.046 1.00 0.57 C ATOM 551 CD LYS A 33 3.440 -7.108 -5.973 1.00 0.79 C ATOM 552 CE LYS A 33 3.698 -7.685 -7.354 1.00 0.94 C ATOM 553 NZ LYS A 33 4.177 -9.087 -7.280 1.00 1.02 N ATOM 0 H LYS A 33 0.919 -3.563 -5.825 1.00 0.37 H new ATOM 0 HA LYS A 33 0.907 -5.960 -4.087 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.221 -4.079 -4.604 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.268 -5.691 -3.919 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.149 -5.546 -6.664 1.00 0.57 H new ATOM 0 HG3 LYS A 33 3.833 -5.079 -6.532 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.336 -7.211 -5.361 1.00 0.79 H new ATOM 0 HD3 LYS A 33 2.652 -7.678 -5.481 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.782 -7.644 -7.943 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.438 -7.074 -7.872 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 3.931 -9.585 -8.159 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 5.209 -9.095 -7.155 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.727 -9.566 -6.474 1.00 1.02 H new ATOM 567 N VAL A 34 1.027 -4.684 -1.914 1.00 0.30 N ATOM 568 CA VAL A 34 0.851 -3.940 -0.673 1.00 0.30 C ATOM 569 C VAL A 34 2.200 -3.699 0.000 1.00 0.27 C ATOM 570 O VAL A 34 2.897 -4.649 0.371 1.00 0.28 O ATOM 571 CB VAL A 34 -0.080 -4.682 0.312 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.473 -3.777 1.467 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.316 -5.198 -0.404 1.00 0.35 C ATOM 0 H VAL A 34 1.081 -5.696 -1.795 1.00 0.30 H new ATOM 0 HA VAL A 34 0.391 -2.987 -0.933 1.00 0.30 H new ATOM 0 HB VAL A 34 0.465 -5.535 0.716 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.128 -4.320 2.148 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.422 -3.459 2.001 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.995 -2.901 1.082 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.958 -5.717 0.307 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.860 -4.360 -0.840 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.018 -5.887 -1.194 1.00 0.35 H new ATOM 583 N TYR A 35 2.565 -2.431 0.148 1.00 0.28 N ATOM 584 CA TYR A 35 3.835 -2.064 0.765 1.00 0.28 C ATOM 585 C TYR A 35 3.614 -1.351 2.095 1.00 0.30 C ATOM 586 O TYR A 35 2.835 -0.398 2.174 1.00 0.32 O ATOM 587 CB TYR A 35 4.639 -1.153 -0.167 1.00 0.31 C ATOM 588 CG TYR A 35 4.981 -1.779 -1.497 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.138 -2.520 -1.655 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.145 -1.623 -2.595 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.457 -3.096 -2.870 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.457 -2.196 -3.810 1.00 0.47 C ATOM 593 CZ TYR A 35 5.613 -2.929 -3.944 1.00 0.41 C ATOM 594 OH TYR A 35 5.923 -3.499 -5.157 1.00 0.48 O ATOM 0 H TYR A 35 1.998 -1.638 -0.151 1.00 0.28 H new ATOM 0 HA TYR A 35 4.391 -2.984 0.946 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.071 -0.239 -0.343 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.563 -0.863 0.334 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.804 -2.651 -0.815 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.238 -1.045 -2.496 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.363 -3.674 -2.976 1.00 0.40 H new ATOM 0 HE2 TYR A 35 3.795 -2.069 -4.654 1.00 0.47 H new ATOM 0 HH TYR A 35 5.222 -3.285 -5.808 1.00 0.48 H new ATOM 604 N ASP A 36 4.295 -1.820 3.131 1.00 0.32 N ATOM 605 CA ASP A 36 4.196 -1.215 4.450 1.00 0.36 C ATOM 606 C ASP A 36 5.320 -0.210 4.637 1.00 0.38 C ATOM 607 O ASP A 36 6.489 -0.577 4.781 1.00 0.50 O ATOM 608 CB ASP A 36 4.257 -2.270 5.559 1.00 0.43 C ATOM 609 CG ASP A 36 4.473 -1.651 6.933 1.00 0.57 C ATOM 610 OD1 ASP A 36 3.950 -0.543 7.184 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.175 -2.268 7.764 1.00 1.28 O ATOM 0 H ASP A 36 4.924 -2.621 3.082 1.00 0.32 H new ATOM 0 HA ASP A 36 3.232 -0.711 4.518 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.330 -2.844 5.563 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.065 -2.970 5.347 1.00 0.43 H new ATOM 616 N LEU A 37 4.960 1.056 4.624 1.00 0.37 N ATOM 617 CA LEU A 37 5.923 2.129 4.795 1.00 0.43 C ATOM 618 C LEU A 37 5.500 3.008 5.962 1.00 0.37 C ATOM 619 O LEU A 37 5.883 4.175 6.054 1.00 0.40 O ATOM 620 CB LEU A 37 6.042 2.958 3.507 1.00 0.56 C ATOM 621 CG LEU A 37 4.937 3.990 3.278 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.434 5.099 2.368 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.693 3.336 2.696 1.00 0.80 C ATOM 0 H LEU A 37 3.999 1.372 4.496 1.00 0.37 H new ATOM 0 HA LEU A 37 6.902 1.700 5.009 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.001 3.476 3.518 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.058 2.275 2.657 1.00 0.56 H new ATOM 0 HG LEU A 37 4.668 4.423 4.241 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.638 5.827 2.213 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.291 5.591 2.828 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.731 4.676 1.408 1.00 0.86 H new ATOM 0 HD21 LEU A 37 2.923 4.092 2.543 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.939 2.870 1.742 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.324 2.577 3.386 1.00 0.80 H new ATOM 635 N THR A 38 4.732 2.420 6.872 1.00 0.34 N ATOM 636 CA THR A 38 4.227 3.133 8.034 1.00 0.36 C ATOM 637 C THR A 38 5.362 3.693 8.900 1.00 0.38 C ATOM 638 O THR A 38 5.159 4.633 9.668 1.00 0.44 O ATOM 639 CB THR A 38 3.295 2.229 8.878 1.00 0.41 C ATOM 640 OG1 THR A 38 2.302 3.032 9.527 1.00 0.48 O ATOM 641 CG2 THR A 38 4.065 1.428 9.922 1.00 0.48 C ATOM 0 H THR A 38 4.445 1.442 6.824 1.00 0.34 H new ATOM 0 HA THR A 38 3.648 3.979 7.664 1.00 0.36 H new ATOM 0 HB THR A 38 2.821 1.520 8.199 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.668 3.923 9.707 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.371 0.809 10.490 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.797 0.791 9.425 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.579 2.111 10.598 1.00 0.48 H new ATOM 649 N LYS A 39 6.552 3.119 8.768 1.00 0.39 N ATOM 650 CA LYS A 39 7.710 3.574 9.526 1.00 0.47 C ATOM 651 C LYS A 39 8.725 4.236 8.599 1.00 0.47 C ATOM 652 O LYS A 39 9.856 4.514 8.991 1.00 0.59 O ATOM 653 CB LYS A 39 8.355 2.401 10.269 1.00 0.56 C ATOM 654 CG LYS A 39 7.953 2.311 11.732 1.00 0.75 C ATOM 655 CD LYS A 39 8.457 3.509 12.524 1.00 0.92 C ATOM 656 CE LYS A 39 8.150 3.370 14.006 1.00 1.27 C ATOM 657 NZ LYS A 39 8.782 4.453 14.803 1.00 1.50 N ATOM 0 H LYS A 39 6.740 2.336 8.142 1.00 0.39 H new ATOM 0 HA LYS A 39 7.377 4.309 10.259 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.083 1.472 9.769 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.439 2.493 10.204 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.867 2.253 11.809 1.00 0.75 H new ATOM 0 HG3 LYS A 39 8.352 1.394 12.164 1.00 0.75 H new ATOM 0 HD2 LYS A 39 9.533 3.612 12.383 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.996 4.419 12.140 1.00 0.92 H new ATOM 0 HE2 LYS A 39 7.071 3.390 14.157 1.00 1.27 H new ATOM 0 HE3 LYS A 39 8.504 2.402 14.362 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 8.550 4.324 15.809 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 9.814 4.419 14.678 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 8.425 5.375 14.481 1.00 1.50 H new ATOM 671 N PHE A 40 8.306 4.494 7.370 1.00 0.40 N ATOM 672 CA PHE A 40 9.170 5.119 6.376 1.00 0.44 C ATOM 673 C PHE A 40 8.587 6.463 5.934 1.00 0.40 C ATOM 674 O PHE A 40 9.230 7.227 5.219 1.00 0.42 O ATOM 675 CB PHE A 40 9.336 4.169 5.179 1.00 0.52 C ATOM 676 CG PHE A 40 10.193 4.702 4.061 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.560 4.847 4.226 1.00 1.66 C ATOM 678 CD2 PHE A 40 9.628 5.048 2.845 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.348 5.325 3.198 1.00 2.39 C ATOM 680 CE2 PHE A 40 10.410 5.529 1.813 1.00 2.45 C ATOM 681 CZ PHE A 40 11.773 5.668 1.990 1.00 2.68 C ATOM 0 H PHE A 40 7.367 4.279 7.034 1.00 0.40 H new ATOM 0 HA PHE A 40 10.150 5.310 6.813 1.00 0.44 H new ATOM 0 HB2 PHE A 40 9.768 3.233 5.534 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.349 3.934 4.780 1.00 0.52 H new ATOM 0 HD1 PHE A 40 12.015 4.583 5.169 1.00 1.66 H new ATOM 0 HD2 PHE A 40 8.563 4.940 2.702 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.414 5.431 3.338 1.00 2.39 H new ATOM 0 HE2 PHE A 40 9.957 5.796 0.870 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.388 6.044 1.185 1.00 2.68 H new ATOM 691 N LEU A 41 7.368 6.751 6.386 1.00 0.39 N ATOM 692 CA LEU A 41 6.678 7.997 6.041 1.00 0.43 C ATOM 693 C LEU A 41 7.526 9.222 6.386 1.00 0.44 C ATOM 694 O LEU A 41 7.685 10.133 5.578 1.00 0.47 O ATOM 695 CB LEU A 41 5.346 8.094 6.791 1.00 0.49 C ATOM 696 CG LEU A 41 4.404 6.901 6.617 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.328 6.919 7.691 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.773 6.912 5.234 1.00 0.59 C ATOM 0 H LEU A 41 6.832 6.134 6.997 1.00 0.39 H new ATOM 0 HA LEU A 41 6.502 7.981 4.965 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.555 8.217 7.854 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.828 8.995 6.461 1.00 0.49 H new ATOM 0 HG LEU A 41 4.986 5.985 6.720 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.664 6.065 7.556 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.795 6.864 8.675 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.752 7.841 7.614 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.107 6.055 5.131 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.204 7.832 5.101 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.555 6.856 4.477 1.00 0.59 H new ATOM 710 N GLU A 42 8.087 9.212 7.587 1.00 0.49 N ATOM 711 CA GLU A 42 8.902 10.322 8.072 1.00 0.56 C ATOM 712 C GLU A 42 10.304 10.318 7.462 1.00 0.54 C ATOM 713 O GLU A 42 11.096 11.228 7.706 1.00 0.66 O ATOM 714 CB GLU A 42 9.004 10.256 9.596 1.00 0.67 C ATOM 715 CG GLU A 42 9.485 8.912 10.117 1.00 0.72 C ATOM 716 CD GLU A 42 9.940 8.986 11.553 1.00 0.93 C ATOM 717 OE1 GLU A 42 10.956 9.662 11.818 1.00 1.50 O ATOM 718 OE2 GLU A 42 9.278 8.384 12.425 1.00 1.40 O ATOM 0 H GLU A 42 7.993 8.442 8.249 1.00 0.49 H new ATOM 0 HA GLU A 42 8.414 11.247 7.767 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.685 11.034 9.940 1.00 0.67 H new ATOM 0 HB3 GLU A 42 8.027 10.474 10.027 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.680 8.182 10.030 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.307 8.557 9.495 1.00 0.72 H new ATOM 725 N GLU A 43 10.608 9.298 6.675 1.00 0.48 N ATOM 726 CA GLU A 43 11.916 9.192 6.041 1.00 0.50 C ATOM 727 C GLU A 43 11.779 9.324 4.531 1.00 0.43 C ATOM 728 O GLU A 43 12.713 9.040 3.780 1.00 0.54 O ATOM 729 CB GLU A 43 12.584 7.863 6.395 1.00 0.58 C ATOM 730 CG GLU A 43 12.910 7.717 7.874 1.00 0.76 C ATOM 731 CD GLU A 43 14.072 6.780 8.121 1.00 0.96 C ATOM 732 OE1 GLU A 43 15.173 7.049 7.604 1.00 1.46 O ATOM 733 OE2 GLU A 43 13.892 5.769 8.835 1.00 1.56 O ATOM 0 H GLU A 43 9.969 8.532 6.459 1.00 0.48 H new ATOM 0 HA GLU A 43 12.544 10.002 6.412 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.929 7.046 6.094 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.503 7.763 5.818 1.00 0.58 H new ATOM 0 HG2 GLU A 43 13.143 8.697 8.290 1.00 0.76 H new ATOM 0 HG3 GLU A 43 12.031 7.348 8.402 1.00 0.76 H new ATOM 740 N HIS A 44 10.605 9.753 4.096 1.00 0.43 N ATOM 741 CA HIS A 44 10.331 9.930 2.681 1.00 0.39 C ATOM 742 C HIS A 44 10.720 11.346 2.250 1.00 0.43 C ATOM 743 O HIS A 44 10.214 12.329 2.788 1.00 0.51 O ATOM 744 CB HIS A 44 8.852 9.661 2.395 1.00 0.41 C ATOM 745 CG HIS A 44 8.526 9.570 0.937 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.717 10.471 0.280 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.916 8.665 0.003 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.647 10.098 -1.002 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.358 9.010 -1.223 1.00 0.41 N ATOM 0 H HIS A 44 9.823 9.986 4.708 1.00 0.43 H new ATOM 0 HA HIS A 44 10.925 9.218 2.107 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.561 8.730 2.882 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.255 10.455 2.843 1.00 0.41 H new ATOM 0 HD1 HIS A 44 7.254 11.279 0.697 1.00 0.42 H new ATOM 0 HD2 HIS A 44 9.556 7.814 0.183 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.081 10.621 -1.759 1.00 0.40 H new ATOM 757 N PRO A 45 11.610 11.462 1.255 1.00 0.44 N ATOM 758 CA PRO A 45 12.102 12.761 0.766 1.00 0.53 C ATOM 759 C PRO A 45 11.025 13.597 0.080 1.00 0.62 C ATOM 760 O PRO A 45 11.139 14.818 -0.013 1.00 1.11 O ATOM 761 CB PRO A 45 13.193 12.370 -0.235 1.00 0.58 C ATOM 762 CG PRO A 45 12.842 10.991 -0.669 1.00 0.56 C ATOM 763 CD PRO A 45 12.202 10.334 0.517 1.00 0.44 C ATOM 0 HA PRO A 45 12.450 13.388 1.586 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.216 13.056 -1.082 1.00 0.58 H new ATOM 0 HB3 PRO A 45 14.180 12.399 0.226 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.160 11.011 -1.519 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.730 10.444 -0.986 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.445 9.610 0.215 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.933 9.798 1.122 1.00 0.44 H new ATOM 771 N GLY A 46 9.975 12.939 -0.384 1.00 0.75 N ATOM 772 CA GLY A 46 8.904 13.639 -1.064 1.00 0.82 C ATOM 773 C GLY A 46 7.789 14.053 -0.127 1.00 0.83 C ATOM 774 O GLY A 46 6.692 14.393 -0.570 1.00 1.38 O ATOM 0 H GLY A 46 9.844 11.931 -0.302 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.308 14.524 -1.555 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.497 12.999 -1.847 1.00 0.82 H new ATOM 778 N GLY A 47 8.065 14.015 1.169 1.00 0.66 N ATOM 779 CA GLY A 47 7.069 14.392 2.148 1.00 0.67 C ATOM 780 C GLY A 47 6.176 13.231 2.536 1.00 0.60 C ATOM 781 O GLY A 47 6.144 12.207 1.851 1.00 0.64 O ATOM 0 H GLY A 47 8.963 13.729 1.559 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.566 14.779 3.038 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.457 15.200 1.748 1.00 0.67 H new ATOM 785 N GLU A 48 5.444 13.395 3.626 1.00 0.61 N ATOM 786 CA GLU A 48 4.549 12.353 4.123 1.00 0.63 C ATOM 787 C GLU A 48 3.106 12.600 3.686 1.00 0.63 C ATOM 788 O GLU A 48 2.294 11.674 3.646 1.00 0.65 O ATOM 789 CB GLU A 48 4.620 12.307 5.647 1.00 0.76 C ATOM 790 CG GLU A 48 4.130 13.586 6.302 1.00 0.95 C ATOM 791 CD GLU A 48 4.745 13.829 7.661 1.00 1.21 C ATOM 792 OE1 GLU A 48 5.987 13.808 7.770 1.00 1.86 O ATOM 793 OE2 GLU A 48 3.986 14.065 8.624 1.00 1.79 O ATOM 0 H GLU A 48 5.450 14.245 4.190 1.00 0.61 H new ATOM 0 HA GLU A 48 4.871 11.400 3.703 1.00 0.63 H new ATOM 0 HB2 GLU A 48 4.024 11.469 6.008 1.00 0.76 H new ATOM 0 HB3 GLU A 48 5.650 12.120 5.952 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.356 14.430 5.651 1.00 0.95 H new ATOM 0 HG3 GLU A 48 3.046 13.543 6.403 1.00 0.95 H new ATOM 800 N GLU A 49 2.801 13.848 3.347 1.00 0.66 N ATOM 801 CA GLU A 49 1.453 14.242 2.932 1.00 0.74 C ATOM 802 C GLU A 49 0.931 13.373 1.789 1.00 0.68 C ATOM 803 O GLU A 49 -0.145 12.788 1.888 1.00 0.72 O ATOM 804 CB GLU A 49 1.448 15.715 2.512 1.00 0.86 C ATOM 805 CG GLU A 49 0.074 16.243 2.133 1.00 1.10 C ATOM 806 CD GLU A 49 -0.927 16.141 3.265 1.00 1.32 C ATOM 807 OE1 GLU A 49 -0.781 16.878 4.263 1.00 1.81 O ATOM 808 OE2 GLU A 49 -1.869 15.331 3.164 1.00 1.69 O ATOM 0 H GLU A 49 3.475 14.614 3.351 1.00 0.66 H new ATOM 0 HA GLU A 49 0.789 14.099 3.785 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.845 16.317 3.329 1.00 0.86 H new ATOM 0 HB3 GLU A 49 2.122 15.843 1.665 1.00 0.86 H new ATOM 0 HG2 GLU A 49 0.162 17.285 1.825 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.299 15.687 1.273 1.00 1.10 H new ATOM 815 N VAL A 50 1.718 13.256 0.726 1.00 0.63 N ATOM 816 CA VAL A 50 1.323 12.470 -0.442 1.00 0.60 C ATOM 817 C VAL A 50 1.193 10.980 -0.116 1.00 0.54 C ATOM 818 O VAL A 50 0.562 10.229 -0.852 1.00 0.54 O ATOM 819 CB VAL A 50 2.319 12.652 -1.610 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.270 14.080 -2.130 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.735 12.285 -1.180 1.00 0.62 C ATOM 0 H VAL A 50 2.635 13.695 0.647 1.00 0.63 H new ATOM 0 HA VAL A 50 0.345 12.845 -0.744 1.00 0.60 H new ATOM 0 HB VAL A 50 2.027 11.979 -2.416 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.977 14.192 -2.952 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.264 14.304 -2.484 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.534 14.769 -1.328 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.417 12.421 -2.019 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.042 12.927 -0.355 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.759 11.244 -0.858 1.00 0.62 H new ATOM 831 N LEU A 51 1.770 10.562 1.002 1.00 0.52 N ATOM 832 CA LEU A 51 1.725 9.160 1.397 1.00 0.50 C ATOM 833 C LEU A 51 0.481 8.847 2.221 1.00 0.53 C ATOM 834 O LEU A 51 -0.225 7.878 1.944 1.00 0.55 O ATOM 835 CB LEU A 51 2.972 8.793 2.201 1.00 0.48 C ATOM 836 CG LEU A 51 4.305 9.132 1.537 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.455 8.835 2.487 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.471 8.360 0.233 1.00 0.47 C ATOM 0 H LEU A 51 2.272 11.170 1.649 1.00 0.52 H new ATOM 0 HA LEU A 51 1.690 8.567 0.483 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.925 9.302 3.164 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.949 7.723 2.405 1.00 0.48 H new ATOM 0 HG LEU A 51 4.314 10.196 1.302 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.400 9.081 2.002 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.344 9.434 3.391 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.446 7.777 2.749 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.427 8.617 -0.223 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.442 7.290 0.438 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.662 8.621 -0.450 1.00 0.47 H new ATOM 850 N ARG A 52 0.206 9.677 3.222 1.00 0.59 N ATOM 851 CA ARG A 52 -0.941 9.456 4.101 1.00 0.66 C ATOM 852 C ARG A 52 -2.272 9.607 3.366 1.00 0.65 C ATOM 853 O ARG A 52 -3.259 8.977 3.740 1.00 0.69 O ATOM 854 CB ARG A 52 -0.892 10.384 5.330 1.00 0.79 C ATOM 855 CG ARG A 52 -0.610 11.852 5.024 1.00 0.97 C ATOM 856 CD ARG A 52 -1.861 12.601 4.589 1.00 1.22 C ATOM 857 NE ARG A 52 -2.904 12.598 5.614 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.696 13.639 5.869 1.00 1.90 C ATOM 859 NH1 ARG A 52 -3.561 14.770 5.182 1.00 2.00 N ATOM 860 NH2 ARG A 52 -4.627 13.544 6.811 1.00 2.61 N ATOM 0 H ARG A 52 0.758 10.505 3.446 1.00 0.59 H new ATOM 0 HA ARG A 52 -0.875 8.424 4.446 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -1.844 10.315 5.855 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.125 10.017 6.012 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.191 12.331 5.909 1.00 0.97 H new ATOM 0 HG3 ARG A 52 0.143 11.919 4.239 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -1.598 13.631 4.347 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -2.252 12.149 3.677 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.033 11.750 6.166 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.849 14.844 4.456 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -4.170 15.564 5.381 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -4.734 12.676 7.337 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -5.235 14.339 7.009 1.00 2.61 H new ATOM 874 N GLU A 53 -2.306 10.421 2.314 1.00 0.64 N ATOM 875 CA GLU A 53 -3.544 10.621 1.571 1.00 0.68 C ATOM 876 C GLU A 53 -3.828 9.439 0.649 1.00 0.65 C ATOM 877 O GLU A 53 -4.986 9.095 0.414 1.00 0.78 O ATOM 878 CB GLU A 53 -3.507 11.928 0.772 1.00 0.72 C ATOM 879 CG GLU A 53 -2.444 11.967 -0.314 1.00 0.67 C ATOM 880 CD GLU A 53 -2.754 12.981 -1.394 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.060 14.142 -1.053 1.00 1.26 O ATOM 882 OE2 GLU A 53 -2.697 12.619 -2.590 1.00 1.35 O ATOM 0 H GLU A 53 -1.504 10.944 1.962 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.354 10.690 2.297 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.483 12.088 0.315 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.337 12.756 1.460 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.479 12.203 0.135 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.353 10.978 -0.764 1.00 0.67 H new ATOM 889 N GLN A 54 -2.775 8.804 0.148 1.00 0.57 N ATOM 890 CA GLN A 54 -2.929 7.662 -0.746 1.00 0.58 C ATOM 891 C GLN A 54 -2.865 6.352 0.029 1.00 0.57 C ATOM 892 O GLN A 54 -2.913 5.269 -0.552 1.00 0.60 O ATOM 893 CB GLN A 54 -1.862 7.685 -1.843 1.00 0.57 C ATOM 894 CG GLN A 54 -2.025 8.848 -2.810 1.00 0.64 C ATOM 895 CD GLN A 54 -3.425 8.936 -3.391 1.00 0.81 C ATOM 896 OE1 GLN A 54 -4.066 7.920 -3.665 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.915 10.153 -3.569 1.00 0.96 N ATOM 0 H GLN A 54 -1.807 9.060 0.345 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.910 7.734 -1.216 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.876 7.740 -1.381 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.902 6.749 -2.400 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.791 9.779 -2.294 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.305 8.744 -3.622 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.352 10.969 -3.330 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.855 10.274 -3.945 1.00 0.96 H new ATOM 906 N ALA A 55 -2.757 6.459 1.345 1.00 0.58 N ATOM 907 CA ALA A 55 -2.701 5.287 2.204 1.00 0.60 C ATOM 908 C ALA A 55 -3.991 4.488 2.087 1.00 0.61 C ATOM 909 O ALA A 55 -5.085 5.045 2.204 1.00 0.68 O ATOM 910 CB ALA A 55 -2.458 5.696 3.647 1.00 0.65 C ATOM 0 H ALA A 55 -2.706 7.348 1.842 1.00 0.58 H new ATOM 0 HA ALA A 55 -1.871 4.658 1.882 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.419 4.806 4.276 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.512 6.233 3.719 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.268 6.343 3.983 1.00 0.65 H new ATOM 916 N GLY A 56 -3.861 3.191 1.841 1.00 0.59 N ATOM 917 CA GLY A 56 -5.028 2.339 1.697 1.00 0.64 C ATOM 918 C GLY A 56 -5.570 2.372 0.286 1.00 0.62 C ATOM 919 O GLY A 56 -6.580 1.736 -0.025 1.00 0.66 O ATOM 0 H GLY A 56 -2.967 2.712 1.738 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.767 1.315 1.963 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.803 2.661 2.393 1.00 0.64 H new ATOM 923 N GLY A 57 -4.893 3.122 -0.570 1.00 0.63 N ATOM 924 CA GLY A 57 -5.306 3.239 -1.945 1.00 0.65 C ATOM 925 C GLY A 57 -4.198 2.883 -2.912 1.00 0.59 C ATOM 926 O GLY A 57 -3.109 2.474 -2.504 1.00 0.55 O ATOM 0 H GLY A 57 -4.057 3.655 -0.330 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.162 2.587 -2.121 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.638 4.260 -2.136 1.00 0.65 H new ATOM 930 N ASP A 58 -4.475 3.046 -4.193 1.00 0.65 N ATOM 931 CA ASP A 58 -3.510 2.734 -5.237 1.00 0.62 C ATOM 932 C ASP A 58 -2.862 4.003 -5.770 1.00 0.61 C ATOM 933 O ASP A 58 -3.552 4.908 -6.249 1.00 0.71 O ATOM 934 CB ASP A 58 -4.198 1.980 -6.376 1.00 0.69 C ATOM 935 CG ASP A 58 -3.310 1.823 -7.591 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.274 1.141 -7.491 1.00 1.32 O ATOM 937 OD2 ASP A 58 -3.652 2.377 -8.656 1.00 1.51 O ATOM 0 H ASP A 58 -5.368 3.396 -4.540 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.731 2.104 -4.808 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.502 0.994 -6.023 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -5.107 2.510 -6.661 1.00 0.69 H new ATOM 942 N ALA A 59 -1.540 4.063 -5.693 1.00 0.55 N ATOM 943 CA ALA A 59 -0.804 5.229 -6.162 1.00 0.57 C ATOM 944 C ALA A 59 0.224 4.836 -7.218 1.00 0.54 C ATOM 945 O ALA A 59 1.266 5.479 -7.358 1.00 0.54 O ATOM 946 CB ALA A 59 -0.125 5.934 -4.994 1.00 0.60 C ATOM 0 H ALA A 59 -0.956 3.319 -5.311 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.514 5.918 -6.620 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.421 6.803 -5.361 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.879 6.256 -4.275 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.569 5.248 -4.509 1.00 0.60 H new ATOM 952 N THR A 60 -0.078 3.778 -7.963 1.00 0.56 N ATOM 953 CA THR A 60 0.819 3.300 -9.007 1.00 0.57 C ATOM 954 C THR A 60 1.021 4.358 -10.092 1.00 0.57 C ATOM 955 O THR A 60 2.098 4.452 -10.687 1.00 0.58 O ATOM 956 CB THR A 60 0.284 1.998 -9.638 1.00 0.64 C ATOM 957 OG1 THR A 60 0.014 1.041 -8.607 1.00 0.67 O ATOM 958 CG2 THR A 60 1.285 1.408 -10.619 1.00 0.71 C ATOM 0 H THR A 60 -0.936 3.236 -7.863 1.00 0.56 H new ATOM 0 HA THR A 60 1.783 3.096 -8.540 1.00 0.57 H new ATOM 0 HB THR A 60 -0.631 2.236 -10.180 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.693 1.383 -8.020 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.879 0.491 -11.046 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.479 2.125 -11.416 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.216 1.184 -10.098 1.00 0.71 H new ATOM 966 N GLU A 61 -0.002 5.172 -10.322 1.00 0.62 N ATOM 967 CA GLU A 61 0.077 6.216 -11.334 1.00 0.67 C ATOM 968 C GLU A 61 1.064 7.295 -10.905 1.00 0.63 C ATOM 969 O GLU A 61 1.885 7.745 -11.702 1.00 0.74 O ATOM 970 CB GLU A 61 -1.304 6.829 -11.626 1.00 0.78 C ATOM 971 CG GLU A 61 -2.359 6.567 -10.562 1.00 0.83 C ATOM 972 CD GLU A 61 -2.194 7.448 -9.343 1.00 1.06 C ATOM 973 OE1 GLU A 61 -1.357 7.125 -8.480 1.00 1.64 O ATOM 974 OE2 GLU A 61 -2.890 8.478 -9.254 1.00 1.48 O ATOM 0 H GLU A 61 -0.891 5.129 -9.824 1.00 0.62 H new ATOM 0 HA GLU A 61 0.434 5.759 -12.257 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.189 7.906 -11.746 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -1.664 6.439 -12.578 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -3.348 6.729 -10.990 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.310 5.521 -10.258 1.00 0.83 H new ATOM 981 N ASN A 62 0.991 7.688 -9.641 1.00 0.56 N ATOM 982 CA ASN A 62 1.883 8.707 -9.098 1.00 0.55 C ATOM 983 C ASN A 62 3.311 8.185 -9.058 1.00 0.50 C ATOM 984 O ASN A 62 4.266 8.922 -9.310 1.00 0.50 O ATOM 985 CB ASN A 62 1.445 9.115 -7.691 1.00 0.58 C ATOM 986 CG ASN A 62 1.508 10.613 -7.477 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.578 11.180 -7.263 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.356 11.258 -7.520 1.00 1.32 N ATOM 0 H ASN A 62 0.321 7.316 -8.968 1.00 0.56 H new ATOM 0 HA ASN A 62 1.837 9.582 -9.747 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.426 8.768 -7.516 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.081 8.619 -6.958 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.331 12.267 -7.372 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.508 10.747 -7.701 1.00 1.32 H new ATOM 995 N PHE A 63 3.439 6.897 -8.757 1.00 0.48 N ATOM 996 CA PHE A 63 4.734 6.231 -8.679 1.00 0.46 C ATOM 997 C PHE A 63 5.524 6.417 -9.974 1.00 0.49 C ATOM 998 O PHE A 63 6.677 6.860 -9.952 1.00 0.50 O ATOM 999 CB PHE A 63 4.524 4.737 -8.382 1.00 0.48 C ATOM 1000 CG PHE A 63 5.768 3.896 -8.460 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.670 3.869 -7.410 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.028 3.123 -9.583 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.810 3.090 -7.479 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.165 2.344 -9.656 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.057 2.328 -8.603 1.00 0.73 C ATOM 0 H PHE A 63 2.647 6.285 -8.560 1.00 0.48 H new ATOM 0 HA PHE A 63 5.313 6.680 -7.872 1.00 0.46 H new ATOM 0 HB2 PHE A 63 4.097 4.636 -7.384 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.791 4.341 -9.084 1.00 0.48 H new ATOM 0 HD1 PHE A 63 6.481 4.463 -6.528 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.333 3.131 -10.409 1.00 0.70 H new ATOM 0 HE1 PHE A 63 8.507 3.078 -6.654 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.356 1.748 -10.536 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.948 1.720 -8.658 1.00 0.73 H new ATOM 1015 N GLU A 64 4.891 6.097 -11.102 1.00 0.53 N ATOM 1016 CA GLU A 64 5.540 6.229 -12.402 1.00 0.58 C ATOM 1017 C GLU A 64 5.554 7.686 -12.864 1.00 0.57 C ATOM 1018 O GLU A 64 6.409 8.087 -13.655 1.00 0.65 O ATOM 1019 CB GLU A 64 4.848 5.345 -13.450 1.00 0.69 C ATOM 1020 CG GLU A 64 3.391 5.703 -13.700 1.00 1.08 C ATOM 1021 CD GLU A 64 2.757 4.858 -14.783 1.00 1.47 C ATOM 1022 OE1 GLU A 64 3.069 5.067 -15.972 1.00 1.88 O ATOM 1023 OE2 GLU A 64 1.933 3.978 -14.451 1.00 1.89 O ATOM 0 H GLU A 64 3.934 5.746 -11.140 1.00 0.53 H new ATOM 0 HA GLU A 64 6.572 5.895 -12.293 1.00 0.58 H new ATOM 0 HB2 GLU A 64 5.395 5.418 -14.390 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.905 4.305 -13.128 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.828 5.582 -12.775 1.00 1.08 H new ATOM 0 HG3 GLU A 64 3.323 6.754 -13.979 1.00 1.08 H new ATOM 1030 N ASP A 65 4.605 8.470 -12.359 1.00 0.54 N ATOM 1031 CA ASP A 65 4.504 9.887 -12.705 1.00 0.55 C ATOM 1032 C ASP A 65 5.738 10.640 -12.223 1.00 0.53 C ATOM 1033 O ASP A 65 6.328 11.433 -12.961 1.00 0.58 O ATOM 1034 CB ASP A 65 3.249 10.498 -12.078 1.00 0.57 C ATOM 1035 CG ASP A 65 3.071 11.956 -12.434 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.835 12.257 -13.625 1.00 0.88 O ATOM 1037 OD2 ASP A 65 3.154 12.808 -11.521 1.00 0.79 O ATOM 0 H ASP A 65 3.891 8.147 -11.706 1.00 0.54 H new ATOM 0 HA ASP A 65 4.438 9.972 -13.790 1.00 0.55 H new ATOM 0 HB2 ASP A 65 2.374 9.938 -12.407 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.303 10.397 -10.994 1.00 0.57 H new ATOM 1042 N VAL A 66 6.118 10.378 -10.979 1.00 0.50 N ATOM 1043 CA VAL A 66 7.285 11.009 -10.383 1.00 0.52 C ATOM 1044 C VAL A 66 8.565 10.420 -10.964 1.00 0.50 C ATOM 1045 O VAL A 66 9.457 11.152 -11.397 1.00 0.55 O ATOM 1046 CB VAL A 66 7.300 10.827 -8.850 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.580 11.392 -8.251 1.00 0.67 C ATOM 1048 CG2 VAL A 66 6.081 11.484 -8.220 1.00 0.60 C ATOM 0 H VAL A 66 5.631 9.729 -10.361 1.00 0.50 H new ATOM 0 HA VAL A 66 7.232 12.073 -10.612 1.00 0.52 H new ATOM 0 HB VAL A 66 7.265 9.759 -8.635 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.568 11.253 -7.170 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.440 10.873 -8.675 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.650 12.456 -8.479 1.00 0.67 H new ATOM 0 HG21 VAL A 66 6.110 11.345 -7.139 1.00 0.60 H new ATOM 0 HG22 VAL A 66 6.083 12.550 -8.449 1.00 0.60 H new ATOM 0 HG23 VAL A 66 5.175 11.029 -8.620 1.00 0.60 H new ATOM 1058 N GLY A 67 8.640 9.094 -10.982 1.00 0.50 N ATOM 1059 CA GLY A 67 9.813 8.421 -11.499 1.00 0.54 C ATOM 1060 C GLY A 67 10.784 8.065 -10.395 1.00 0.54 C ATOM 1061 O GLY A 67 11.579 8.902 -9.965 1.00 0.82 O ATOM 0 H GLY A 67 7.905 8.472 -10.646 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.511 7.515 -12.025 1.00 0.54 H new ATOM 0 HA3 GLY A 67 10.309 9.062 -12.228 1.00 0.54 H new ATOM 1065 N HIS A 68 10.710 6.832 -9.925 1.00 0.45 N ATOM 1066 CA HIS A 68 11.583 6.368 -8.859 1.00 0.42 C ATOM 1067 C HIS A 68 12.800 5.661 -9.437 1.00 0.47 C ATOM 1068 O HIS A 68 12.698 4.967 -10.454 1.00 0.58 O ATOM 1069 CB HIS A 68 10.826 5.418 -7.928 1.00 0.39 C ATOM 1070 CG HIS A 68 9.860 6.111 -7.020 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.691 6.705 -7.446 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.910 6.304 -5.678 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.083 7.232 -6.377 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.783 7.020 -5.280 1.00 0.40 N ATOM 0 H HIS A 68 10.052 6.131 -10.266 1.00 0.45 H new ATOM 0 HA HIS A 68 11.917 7.234 -8.288 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.286 4.687 -8.530 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.545 4.864 -7.325 1.00 0.39 H new ATOM 0 HD1 HIS A 68 8.350 6.737 -8.407 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.697 5.958 -5.024 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.142 7.762 -6.409 1.00 0.35 H new ATOM 1082 N SER A 69 13.949 5.837 -8.794 1.00 0.45 N ATOM 1083 CA SER A 69 15.177 5.202 -9.246 1.00 0.50 C ATOM 1084 C SER A 69 15.070 3.685 -9.126 1.00 0.50 C ATOM 1085 O SER A 69 14.227 3.167 -8.385 1.00 0.46 O ATOM 1086 CB SER A 69 16.361 5.717 -8.428 1.00 0.55 C ATOM 1087 OG SER A 69 16.087 5.653 -7.039 1.00 1.01 O ATOM 0 H SER A 69 14.054 6.414 -7.959 1.00 0.45 H new ATOM 0 HA SER A 69 15.336 5.453 -10.295 1.00 0.50 H new ATOM 0 HB2 SER A 69 17.248 5.126 -8.655 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.583 6.746 -8.711 1.00 0.55 H new ATOM 0 HG SER A 69 15.561 6.436 -6.773 1.00 1.01 H new ATOM 1093 N THR A 70 15.926 2.973 -9.848 1.00 0.59 N ATOM 1094 CA THR A 70 15.923 1.521 -9.820 1.00 0.64 C ATOM 1095 C THR A 70 16.202 1.003 -8.412 1.00 0.61 C ATOM 1096 O THR A 70 15.655 -0.015 -7.995 1.00 0.66 O ATOM 1097 CB THR A 70 16.959 0.945 -10.799 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.003 1.752 -11.983 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.606 -0.484 -11.177 1.00 1.08 C ATOM 0 H THR A 70 16.632 3.381 -10.461 1.00 0.59 H new ATOM 0 HA THR A 70 14.931 1.191 -10.128 1.00 0.64 H new ATOM 0 HB THR A 70 17.934 0.948 -10.311 1.00 0.78 H new ATOM 0 HG1 THR A 70 17.665 1.384 -12.605 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.352 -0.872 -11.870 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.587 -1.103 -10.280 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.625 -0.503 -11.652 1.00 1.08 H new ATOM 1107 N ASP A 71 17.035 1.719 -7.676 1.00 0.60 N ATOM 1108 CA ASP A 71 17.369 1.330 -6.315 1.00 0.61 C ATOM 1109 C ASP A 71 16.179 1.550 -5.382 1.00 0.54 C ATOM 1110 O ASP A 71 15.900 0.726 -4.510 1.00 0.56 O ATOM 1111 CB ASP A 71 18.585 2.114 -5.817 1.00 0.70 C ATOM 1112 CG ASP A 71 18.982 1.736 -4.404 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.156 0.527 -4.132 1.00 1.38 O ATOM 1114 OD2 ASP A 71 19.132 2.647 -3.565 1.00 1.29 O ATOM 0 H ASP A 71 17.493 2.572 -7.997 1.00 0.60 H new ATOM 0 HA ASP A 71 17.615 0.268 -6.315 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.426 1.937 -6.487 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.366 3.181 -5.856 1.00 0.70 H new ATOM 1119 N ALA A 72 15.465 2.653 -5.593 1.00 0.48 N ATOM 1120 CA ALA A 72 14.306 2.992 -4.773 1.00 0.44 C ATOM 1121 C ALA A 72 13.193 1.960 -4.930 1.00 0.42 C ATOM 1122 O ALA A 72 12.625 1.493 -3.941 1.00 0.43 O ATOM 1123 CB ALA A 72 13.794 4.377 -5.133 1.00 0.47 C ATOM 0 H ALA A 72 15.670 3.329 -6.328 1.00 0.48 H new ATOM 0 HA ALA A 72 14.621 2.989 -3.730 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.930 4.618 -4.514 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.580 5.112 -4.960 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.505 4.396 -6.184 1.00 0.47 H new ATOM 1129 N ARG A 73 12.894 1.587 -6.170 1.00 0.44 N ATOM 1130 CA ARG A 73 11.840 0.607 -6.426 1.00 0.48 C ATOM 1131 C ARG A 73 12.228 -0.766 -5.881 1.00 0.49 C ATOM 1132 O ARG A 73 11.384 -1.499 -5.373 1.00 0.56 O ATOM 1133 CB ARG A 73 11.500 0.528 -7.921 1.00 0.54 C ATOM 1134 CG ARG A 73 12.701 0.337 -8.834 1.00 0.68 C ATOM 1135 CD ARG A 73 12.664 -1.009 -9.543 1.00 0.74 C ATOM 1136 NE ARG A 73 11.533 -1.122 -10.461 1.00 0.90 N ATOM 1137 CZ ARG A 73 10.875 -2.256 -10.700 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.242 -3.389 -10.104 1.00 1.08 N ATOM 1139 NH2 ARG A 73 9.858 -2.260 -11.551 1.00 1.36 N ATOM 0 H ARG A 73 13.359 1.942 -7.005 1.00 0.44 H new ATOM 0 HA ARG A 73 10.945 0.940 -5.901 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.805 -0.297 -8.079 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.981 1.442 -8.211 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.726 1.137 -9.574 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.618 0.415 -8.250 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.593 -1.152 -10.095 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.608 -1.806 -8.802 1.00 0.74 H new ATOM 0 HE ARG A 73 11.228 -0.280 -10.950 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.032 -3.393 -9.459 1.00 1.08 H new ATOM 0 HH12 ARG A 73 10.733 -4.253 -10.293 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.582 -1.397 -12.020 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.352 -3.126 -11.737 1.00 1.36 H new ATOM 1153 N GLU A 74 13.513 -1.099 -5.959 1.00 0.47 N ATOM 1154 CA GLU A 74 13.992 -2.381 -5.456 1.00 0.51 C ATOM 1155 C GLU A 74 14.014 -2.374 -3.930 1.00 0.49 C ATOM 1156 O GLU A 74 13.944 -3.421 -3.292 1.00 0.55 O ATOM 1157 CB GLU A 74 15.382 -2.705 -6.009 1.00 0.57 C ATOM 1158 CG GLU A 74 15.388 -3.027 -7.495 1.00 0.65 C ATOM 1159 CD GLU A 74 14.411 -4.127 -7.863 1.00 0.75 C ATOM 1160 OE1 GLU A 74 14.571 -5.263 -7.373 1.00 1.01 O ATOM 1161 OE2 GLU A 74 13.474 -3.856 -8.650 1.00 0.84 O ATOM 0 H GLU A 74 14.236 -0.504 -6.363 1.00 0.47 H new ATOM 0 HA GLU A 74 13.306 -3.157 -5.795 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.042 -1.857 -5.827 1.00 0.57 H new ATOM 0 HB3 GLU A 74 15.793 -3.553 -5.461 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.143 -2.126 -8.058 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.393 -3.326 -7.793 1.00 0.65 H new ATOM 1168 N LEU A 75 14.100 -1.181 -3.352 1.00 0.47 N ATOM 1169 CA LEU A 75 14.103 -1.032 -1.902 1.00 0.48 C ATOM 1170 C LEU A 75 12.731 -1.392 -1.344 1.00 0.43 C ATOM 1171 O LEU A 75 12.600 -1.841 -0.207 1.00 0.44 O ATOM 1172 CB LEU A 75 14.462 0.408 -1.514 1.00 0.53 C ATOM 1173 CG LEU A 75 14.349 0.730 -0.021 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.529 0.152 0.742 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.255 2.234 0.195 1.00 0.61 C ATOM 0 H LEU A 75 14.169 -0.303 -3.866 1.00 0.47 H new ATOM 0 HA LEU A 75 14.851 -1.704 -1.481 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.483 0.610 -1.836 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.813 1.088 -2.066 1.00 0.53 H new ATOM 0 HG LEU A 75 13.437 0.271 0.361 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.430 0.392 1.801 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.549 -0.930 0.615 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.455 0.580 0.358 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.175 2.444 1.262 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.148 2.715 -0.204 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.374 2.621 -0.318 1.00 0.61 H new ATOM 1187 N SER A 76 11.712 -1.219 -2.176 1.00 0.45 N ATOM 1188 CA SER A 76 10.344 -1.517 -1.787 1.00 0.46 C ATOM 1189 C SER A 76 10.128 -3.025 -1.639 1.00 0.43 C ATOM 1190 O SER A 76 9.112 -3.471 -1.105 1.00 0.45 O ATOM 1191 CB SER A 76 9.371 -0.936 -2.813 1.00 0.55 C ATOM 1192 OG SER A 76 9.568 0.463 -2.967 1.00 0.82 O ATOM 0 H SER A 76 11.811 -0.872 -3.130 1.00 0.45 H new ATOM 0 HA SER A 76 10.155 -1.056 -0.817 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.509 -1.434 -3.773 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.346 -1.130 -2.498 1.00 0.55 H new ATOM 0 HG SER A 76 8.935 0.811 -3.629 1.00 0.82 H new ATOM 1198 N LYS A 77 11.102 -3.808 -2.092 1.00 0.45 N ATOM 1199 CA LYS A 77 11.021 -5.261 -2.010 1.00 0.51 C ATOM 1200 C LYS A 77 11.056 -5.722 -0.552 1.00 0.47 C ATOM 1201 O LYS A 77 10.701 -6.857 -0.238 1.00 0.56 O ATOM 1202 CB LYS A 77 12.173 -5.897 -2.792 1.00 0.63 C ATOM 1203 CG LYS A 77 11.930 -7.343 -3.187 1.00 0.94 C ATOM 1204 CD LYS A 77 13.150 -7.941 -3.869 1.00 1.20 C ATOM 1205 CE LYS A 77 12.841 -9.289 -4.502 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.050 -9.902 -5.113 1.00 1.89 N ATOM 0 H LYS A 77 11.959 -3.459 -2.521 1.00 0.45 H new ATOM 0 HA LYS A 77 10.076 -5.580 -2.449 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.354 -5.311 -3.693 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.080 -5.844 -2.190 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.683 -7.928 -2.301 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.072 -7.400 -3.856 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.511 -7.254 -4.635 1.00 1.20 H new ATOM 0 HD3 LYS A 77 13.953 -8.057 -3.141 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.435 -9.961 -3.746 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.072 -9.165 -5.264 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.799 -10.819 -5.534 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.423 -9.272 -5.852 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.775 -10.044 -4.381 1.00 1.89 H new ATOM 1220 N THR A 78 11.489 -4.838 0.335 1.00 0.42 N ATOM 1221 CA THR A 78 11.550 -5.159 1.750 1.00 0.48 C ATOM 1222 C THR A 78 10.347 -4.566 2.488 1.00 0.43 C ATOM 1223 O THR A 78 10.193 -4.761 3.692 1.00 0.53 O ATOM 1224 CB THR A 78 12.872 -4.654 2.386 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.157 -5.379 3.593 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.815 -3.160 2.690 1.00 0.63 C ATOM 0 H THR A 78 11.802 -3.896 0.099 1.00 0.42 H new ATOM 0 HA THR A 78 11.522 -6.244 1.846 1.00 0.48 H new ATOM 0 HB THR A 78 13.668 -4.826 1.661 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.338 -5.464 4.125 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.758 -2.843 3.134 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.645 -2.607 1.766 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.001 -2.961 3.387 1.00 0.63 H new ATOM 1234 N PHE A 79 9.491 -3.853 1.761 1.00 0.36 N ATOM 1235 CA PHE A 79 8.314 -3.236 2.365 1.00 0.38 C ATOM 1236 C PHE A 79 7.045 -4.002 2.012 1.00 0.32 C ATOM 1237 O PHE A 79 6.029 -3.878 2.694 1.00 0.33 O ATOM 1238 CB PHE A 79 8.180 -1.775 1.927 1.00 0.46 C ATOM 1239 CG PHE A 79 9.249 -0.870 2.481 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.645 -0.964 3.809 1.00 1.10 C ATOM 1241 CD2 PHE A 79 9.855 0.078 1.673 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.626 -0.130 4.316 1.00 1.16 C ATOM 1243 CE2 PHE A 79 10.836 0.914 2.176 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.221 0.808 3.499 1.00 0.70 C ATOM 0 H PHE A 79 9.589 -3.689 0.759 1.00 0.36 H new ATOM 0 HA PHE A 79 8.446 -3.269 3.446 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.207 -1.729 0.838 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.204 -1.401 2.238 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.182 -1.697 4.453 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.558 0.166 0.638 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.925 -0.214 5.350 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.301 1.649 1.535 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.987 1.459 3.893 1.00 0.70 H new ATOM 1254 N ILE A 80 7.102 -4.795 0.948 1.00 0.38 N ATOM 1255 CA ILE A 80 5.945 -5.571 0.524 1.00 0.36 C ATOM 1256 C ILE A 80 5.656 -6.687 1.520 1.00 0.33 C ATOM 1257 O ILE A 80 6.527 -7.504 1.830 1.00 0.42 O ATOM 1258 CB ILE A 80 6.131 -6.161 -0.899 1.00 0.46 C ATOM 1259 CG1 ILE A 80 4.981 -7.119 -1.236 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.476 -6.866 -1.028 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.042 -7.676 -2.642 1.00 0.72 C ATOM 0 H ILE A 80 7.932 -4.916 0.367 1.00 0.38 H new ATOM 0 HA ILE A 80 5.094 -4.890 0.491 1.00 0.36 H new ATOM 0 HB ILE A 80 6.116 -5.338 -1.613 1.00 0.46 H new ATOM 0 HG12 ILE A 80 4.990 -7.947 -0.527 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.034 -6.596 -1.103 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.580 -7.270 -2.035 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.279 -6.154 -0.838 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.532 -7.679 -0.304 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.197 -8.344 -2.806 1.00 0.72 H new ATOM 0 HD12 ILE A 80 5.001 -6.857 -3.360 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.972 -8.229 -2.774 1.00 0.72 H new ATOM 1273 N ILE A 81 4.443 -6.691 2.051 1.00 0.28 N ATOM 1274 CA ILE A 81 4.041 -7.707 3.015 1.00 0.32 C ATOM 1275 C ILE A 81 2.938 -8.592 2.447 1.00 0.29 C ATOM 1276 O ILE A 81 2.493 -9.541 3.092 1.00 0.31 O ATOM 1277 CB ILE A 81 3.560 -7.101 4.360 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.214 -6.376 4.197 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.616 -6.171 4.942 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.320 -4.949 3.695 1.00 0.77 C ATOM 0 H ILE A 81 3.721 -6.005 1.832 1.00 0.28 H new ATOM 0 HA ILE A 81 4.932 -8.303 3.212 1.00 0.32 H new ATOM 0 HB ILE A 81 3.408 -7.922 5.061 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.592 -6.945 3.506 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.700 -6.371 5.158 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.257 -5.758 5.885 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.536 -6.729 5.117 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.812 -5.359 4.241 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.322 -4.518 3.611 1.00 0.77 H new ATOM 0 HD12 ILE A 81 2.912 -4.360 4.395 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.802 -4.942 2.717 1.00 0.77 H new ATOM 1292 N GLY A 82 2.495 -8.282 1.238 1.00 0.32 N ATOM 1293 CA GLY A 82 1.450 -9.068 0.634 1.00 0.35 C ATOM 1294 C GLY A 82 0.943 -8.490 -0.667 1.00 0.31 C ATOM 1295 O GLY A 82 1.484 -7.505 -1.177 1.00 0.34 O ATOM 0 H GLY A 82 2.839 -7.507 0.672 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.821 -10.077 0.455 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.619 -9.154 1.334 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.112 -9.095 -1.187 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.717 -8.677 -2.442 1.00 0.31 C ATOM 1301 C GLU A 83 -2.231 -8.627 -2.316 1.00 0.32 C ATOM 1302 O GLU A 83 -2.796 -9.086 -1.322 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.340 -9.651 -3.555 1.00 0.37 C ATOM 1304 CG GLU A 83 0.834 -9.202 -4.406 1.00 0.61 C ATOM 1305 CD GLU A 83 1.125 -10.174 -5.527 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.165 -10.766 -6.070 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.309 -10.361 -5.874 1.00 0.86 O ATOM 0 H GLU A 83 -0.575 -9.892 -0.750 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.345 -7.681 -2.684 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.103 -10.618 -3.111 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.206 -9.800 -4.200 1.00 0.37 H new ATOM 0 HG2 GLU A 83 0.623 -8.218 -4.825 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.719 -9.098 -3.778 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.880 -8.072 -3.330 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.331 -7.969 -3.348 1.00 0.44 C ATOM 1316 C LEU A 84 -4.948 -9.251 -3.907 1.00 0.40 C ATOM 1317 O LEU A 84 -4.358 -9.900 -4.777 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.768 -6.768 -4.200 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.403 -5.605 -3.435 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.676 -6.054 -2.738 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.420 -5.021 -2.435 1.00 0.87 C ATOM 0 H LEU A 84 -2.421 -7.685 -4.154 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.679 -7.825 -2.325 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.898 -6.392 -4.738 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.479 -7.117 -4.949 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.663 -4.826 -4.151 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -7.112 -5.213 -2.200 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.387 -6.419 -3.479 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.443 -6.853 -2.034 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.891 -4.195 -1.902 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -4.124 -5.792 -1.723 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.538 -4.656 -2.962 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.128 -9.606 -3.404 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.838 -10.808 -3.854 1.00 0.48 C ATOM 1335 C HIS A 85 -7.083 -10.753 -5.362 1.00 0.42 C ATOM 1336 O HIS A 85 -7.302 -9.676 -5.919 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.184 -10.950 -3.126 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.083 -11.574 -1.766 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.163 -12.105 -1.098 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.020 -11.740 -0.943 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.771 -12.565 0.076 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.473 -12.357 0.196 1.00 1.10 N ATOM 0 H HIS A 85 -6.617 -9.078 -2.681 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.214 -11.671 -3.621 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.638 -9.964 -3.028 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.855 -11.550 -3.740 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.002 -11.441 -1.146 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.406 -13.033 0.814 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -6.902 -12.612 1.001 1.00 1.10 H new ATOM 1351 N PRO A 86 -7.036 -11.910 -6.048 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.257 -11.980 -7.501 1.00 0.44 C ATOM 1353 C PRO A 86 -8.652 -11.490 -7.886 1.00 0.40 C ATOM 1354 O PRO A 86 -8.846 -10.892 -8.948 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.099 -13.473 -7.825 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.269 -14.177 -6.525 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.760 -13.236 -5.471 1.00 0.53 C ATOM 0 HA PRO A 86 -6.563 -11.345 -8.052 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.845 -13.799 -8.550 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.121 -13.680 -8.259 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.316 -14.427 -6.351 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.711 -15.113 -6.513 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.275 -13.378 -4.521 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.696 -13.380 -5.281 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.613 -11.732 -7.000 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.997 -11.321 -7.224 1.00 0.43 C ATOM 1367 C ASP A 87 -11.102 -9.802 -7.197 1.00 0.41 C ATOM 1368 O ASP A 87 -11.971 -9.219 -7.836 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.928 -11.919 -6.158 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.445 -13.255 -5.635 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.601 -13.263 -4.712 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -11.909 -14.300 -6.131 1.00 1.30 O ATOM 0 H ASP A 87 -9.458 -12.214 -6.114 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.305 -11.691 -8.202 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -12.016 -11.220 -5.327 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.926 -12.039 -6.581 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.197 -9.168 -6.468 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.181 -7.715 -6.354 1.00 0.50 C ATOM 1379 C ASP A 88 -9.193 -7.121 -7.344 1.00 0.49 C ATOM 1380 O ASP A 88 -8.944 -5.917 -7.352 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.797 -7.290 -4.934 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.931 -7.437 -3.943 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -12.103 -7.275 -4.340 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.657 -7.715 -2.756 1.00 1.20 O ATOM 0 H ASP A 88 -9.460 -9.638 -5.943 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.182 -7.346 -6.576 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.950 -7.888 -4.599 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.468 -6.251 -4.949 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.632 -7.978 -8.182 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.657 -7.547 -9.165 1.00 0.51 C ATOM 1391 C ARG A 89 -8.219 -7.619 -10.583 1.00 0.57 C ATOM 1392 O ARG A 89 -8.225 -6.626 -11.307 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.395 -8.405 -9.060 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.178 -7.794 -9.736 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.982 -8.735 -9.688 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.681 -9.182 -8.323 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.488 -9.643 -7.927 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.456 -9.668 -8.770 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.322 -10.067 -6.680 1.00 0.81 N ATOM 0 H ARG A 89 -8.837 -8.977 -8.199 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.409 -6.506 -8.956 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.168 -8.573 -8.007 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.593 -9.381 -9.503 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.416 -7.559 -10.773 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.923 -6.854 -9.247 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.180 -9.603 -10.317 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.109 -8.232 -10.104 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.429 -9.139 -7.631 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.571 -9.334 -9.727 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.551 -10.021 -8.458 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.103 -10.041 -6.024 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.413 -10.418 -6.377 1.00 0.81 H new ATOM 1413 N SER A 90 -8.701 -8.792 -10.976 1.00 0.50 N ATOM 1414 CA SER A 90 -9.232 -8.975 -12.320 1.00 0.59 C ATOM 1415 C SER A 90 -10.691 -9.438 -12.314 1.00 0.57 C ATOM 1416 O SER A 90 -11.125 -10.156 -13.218 1.00 0.88 O ATOM 1417 CB SER A 90 -8.359 -9.979 -13.074 1.00 0.71 C ATOM 1418 OG SER A 90 -7.989 -11.062 -12.233 1.00 1.16 O ATOM 0 H SER A 90 -8.735 -9.625 -10.388 1.00 0.50 H new ATOM 0 HA SER A 90 -9.211 -8.008 -12.823 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.899 -10.356 -13.943 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.464 -9.481 -13.447 1.00 0.71 H new ATOM 0 HG SER A 90 -7.433 -11.692 -12.737 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.458 -9.017 -11.319 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.864 -9.406 -11.246 1.00 0.49 C ATOM 1426 C LYS A 91 -13.716 -8.227 -10.783 1.00 0.51 C ATOM 1427 O LYS A 91 -14.540 -7.713 -11.542 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.036 -10.603 -10.309 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.366 -11.320 -10.467 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.669 -12.210 -9.272 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.898 -13.520 -9.326 1.00 1.24 C ATOM 1432 NZ LYS A 91 -14.478 -14.469 -10.316 1.00 1.76 N ATOM 0 H LYS A 91 -11.139 -8.415 -10.560 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.199 -9.700 -12.240 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.228 -11.312 -10.489 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.938 -10.263 -9.278 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.163 -10.586 -10.586 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.349 -11.923 -11.375 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.419 -11.680 -8.353 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -15.738 -12.420 -9.238 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.858 -13.318 -9.584 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.898 -13.982 -8.339 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.987 -15.383 -10.249 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -15.490 -14.604 -10.116 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -14.363 -14.084 -11.275 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.503 -7.811 -9.535 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.211 -6.680 -8.931 1.00 0.55 C ATOM 1448 C LEU A 92 -15.705 -6.962 -8.752 1.00 0.58 C ATOM 1449 O LEU A 92 -16.503 -6.041 -8.571 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.012 -5.396 -9.756 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.705 -4.630 -9.504 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.481 -4.417 -8.016 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.523 -5.354 -10.127 1.00 0.90 C ATOM 0 H LEU A 92 -12.829 -8.252 -8.909 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.779 -6.535 -7.941 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.059 -5.656 -10.813 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.848 -4.725 -9.555 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.792 -3.652 -9.978 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.549 -3.872 -7.863 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.310 -3.842 -7.602 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.423 -5.383 -7.515 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.609 -4.792 -9.935 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.435 -6.349 -9.691 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.676 -5.441 -11.203 1.00 0.90 H new ATOM 1465 N SER A 93 -16.078 -8.232 -8.782 1.00 0.52 N ATOM 1466 CA SER A 93 -17.471 -8.619 -8.610 1.00 0.57 C ATOM 1467 C SER A 93 -17.791 -8.784 -7.127 1.00 0.58 C ATOM 1468 O SER A 93 -17.921 -9.904 -6.627 1.00 0.70 O ATOM 1469 CB SER A 93 -17.760 -9.913 -9.372 1.00 0.62 C ATOM 1470 OG SER A 93 -17.209 -9.865 -10.677 1.00 0.70 O ATOM 0 H SER A 93 -15.437 -9.012 -8.924 1.00 0.52 H new ATOM 0 HA SER A 93 -18.108 -7.833 -9.016 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.344 -10.761 -8.828 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.837 -10.071 -9.433 1.00 0.62 H new ATOM 0 HG SER A 93 -17.404 -10.703 -11.146 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.884 -7.661 -6.423 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.184 -7.661 -4.997 1.00 0.60 C ATOM 1478 C LYS A 94 -19.046 -6.453 -4.644 1.00 0.71 C ATOM 1479 O LYS A 94 -18.774 -5.338 -5.094 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.890 -7.634 -4.170 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.221 -8.994 -4.034 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.744 -8.861 -3.693 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.528 -8.381 -2.264 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.627 -7.197 -2.203 1.00 0.93 N ATOM 0 H LYS A 94 -17.754 -6.731 -6.822 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.730 -8.575 -4.761 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.189 -6.939 -4.632 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.113 -7.248 -3.175 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.724 -9.571 -3.258 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.331 -9.549 -4.966 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.252 -9.824 -3.830 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.274 -8.162 -4.385 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.490 -8.128 -1.817 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.104 -9.190 -1.670 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.965 -7.305 -1.408 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -13.092 -7.122 -3.092 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -14.194 -6.336 -2.066 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.106 -6.659 -3.851 1.00 0.78 N ATOM 1499 CA PRO A 95 -21.001 -5.572 -3.444 1.00 0.92 C ATOM 1500 C PRO A 95 -20.340 -4.633 -2.439 1.00 0.95 C ATOM 1501 O PRO A 95 -19.604 -5.077 -1.555 1.00 1.03 O ATOM 1502 CB PRO A 95 -22.175 -6.306 -2.795 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.613 -7.605 -2.330 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.521 -7.963 -3.300 1.00 0.84 C ATOM 0 HA PRO A 95 -21.289 -4.940 -4.284 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.586 -5.734 -1.963 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.986 -6.460 -3.507 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.220 -7.519 -1.317 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.383 -8.376 -2.309 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.694 -8.470 -2.803 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.882 -8.632 -4.081 1.00 0.84 H new ATOM 1512 N MET A 96 -20.592 -3.338 -2.577 1.00 1.06 N ATOM 1513 CA MET A 96 -20.018 -2.359 -1.666 1.00 1.14 C ATOM 1514 C MET A 96 -21.036 -1.946 -0.612 1.00 1.16 C ATOM 1515 O MET A 96 -20.858 -2.255 0.566 1.00 1.25 O ATOM 1516 CB MET A 96 -19.506 -1.131 -2.420 1.00 1.31 C ATOM 1517 CG MET A 96 -18.909 -0.070 -1.505 1.00 1.38 C ATOM 1518 SD MET A 96 -17.827 1.085 -2.374 1.00 1.63 S ATOM 1519 CE MET A 96 -18.958 1.781 -3.576 1.00 1.94 C ATOM 0 H MET A 96 -21.186 -2.944 -3.306 1.00 1.06 H new ATOM 0 HA MET A 96 -19.169 -2.827 -1.168 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.752 -1.444 -3.142 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.327 -0.692 -2.987 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.716 0.486 -1.028 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.346 -0.559 -0.710 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.475 2.611 -4.092 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.236 1.015 -4.300 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.853 2.141 -3.068 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.099 -1.261 -1.048 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.164 -0.792 -0.154 1.00 1.22 C ATOM 1531 C GLU A 97 -22.634 0.254 0.833 1.00 1.29 C ATOM 1532 O GLU A 97 -21.844 -0.056 1.728 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.798 -1.971 0.593 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.903 -1.573 1.563 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.532 -1.848 3.005 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.213 -3.012 3.335 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -24.553 -0.902 3.821 1.00 2.38 O ATOM 0 H GLU A 97 -22.245 -1.017 -2.027 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.933 -0.317 -0.764 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -24.205 -2.672 -0.136 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -23.019 -2.499 1.143 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -25.123 -0.512 1.443 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.814 -2.118 1.315 1.00 1.50 H new ATOM 1544 N THR A 98 -23.069 1.496 0.670 1.00 1.31 N ATOM 1545 CA THR A 98 -22.623 2.576 1.539 1.00 1.40 C ATOM 1546 C THR A 98 -23.536 3.799 1.418 1.00 1.39 C ATOM 1547 O THR A 98 -24.479 3.797 0.624 1.00 1.35 O ATOM 1548 CB THR A 98 -21.158 2.968 1.220 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.646 3.857 2.219 1.00 1.57 O ATOM 1550 CG2 THR A 98 -21.045 3.618 -0.153 1.00 1.37 C ATOM 0 H THR A 98 -23.729 1.780 -0.054 1.00 1.31 H new ATOM 0 HA THR A 98 -22.673 2.215 2.566 1.00 1.40 H new ATOM 0 HB THR A 98 -20.566 2.053 1.218 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.720 4.093 2.003 1.00 1.57 H new ATOM 0 HG21 THR A 98 -20.005 3.881 -0.347 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.391 2.920 -0.916 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.658 4.519 -0.181 1.00 1.37 H new ATOM 1558 N LEU A 99 -23.249 4.830 2.220 1.00 1.46 N ATOM 1559 CA LEU A 99 -24.025 6.075 2.229 1.00 1.48 C ATOM 1560 C LEU A 99 -25.474 5.820 2.643 1.00 1.52 C ATOM 1561 O LEU A 99 -26.392 6.508 2.198 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.973 6.753 0.852 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.583 7.217 0.404 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.575 7.513 -1.087 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -22.146 8.442 1.193 1.00 1.61 C ATOM 0 H LEU A 99 -22.472 4.825 2.881 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.577 6.743 2.964 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -24.364 6.059 0.108 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.640 7.615 0.864 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.874 6.413 0.600 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.580 7.841 -1.387 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.842 6.611 -1.638 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.298 8.299 -1.306 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.157 8.756 0.860 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.857 9.252 1.031 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -22.111 8.197 2.255 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.665 4.843 3.519 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.994 4.483 3.990 1.00 1.68 C ATOM 1579 C ILE A 100 -27.488 5.425 5.086 1.00 1.72 C ATOM 1580 O ILE A 100 -28.618 5.917 5.030 1.00 1.83 O ATOM 1581 CB ILE A 100 -27.037 3.029 4.510 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.792 2.713 5.346 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.157 2.059 3.344 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.870 1.392 6.081 1.00 1.79 C ATOM 0 H ILE A 100 -24.912 4.283 3.919 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.656 4.574 3.129 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.912 2.917 5.151 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.920 2.704 4.693 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.639 3.513 6.070 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.186 1.037 3.722 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -28.072 2.267 2.790 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.298 2.177 2.683 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.953 1.238 6.650 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.722 1.404 6.761 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.991 0.582 5.362 1.00 1.79 H new ATOM 1596 N THR A 101 -26.641 5.686 6.073 1.00 1.73 N ATOM 1597 CA THR A 101 -27.007 6.554 7.180 1.00 1.77 C ATOM 1598 C THR A 101 -26.675 8.011 6.871 1.00 1.85 C ATOM 1599 O THR A 101 -25.684 8.303 6.198 1.00 1.80 O ATOM 1600 CB THR A 101 -26.286 6.132 8.474 1.00 1.70 C ATOM 1601 OG1 THR A 101 -25.990 4.727 8.436 1.00 1.85 O ATOM 1602 CG2 THR A 101 -27.141 6.443 9.696 1.00 1.98 C ATOM 0 H THR A 101 -25.695 5.308 6.128 1.00 1.73 H new ATOM 0 HA THR A 101 -28.083 6.458 7.322 1.00 1.77 H new ATOM 0 HB THR A 101 -25.356 6.697 8.547 1.00 1.70 H new ATOM 0 HG1 THR A 101 -25.530 4.467 9.261 1.00 1.85 H new ATOM 0 HG21 THR A 101 -26.612 6.136 10.598 1.00 1.98 H new ATOM 0 HG22 THR A 101 -27.340 7.514 9.738 1.00 1.98 H new ATOM 0 HG23 THR A 101 -28.084 5.901 9.627 1.00 1.98 H new ATOM 1610 N THR A 102 -27.509 8.918 7.354 1.00 2.05 N ATOM 1611 CA THR A 102 -27.302 10.338 7.141 1.00 2.18 C ATOM 1612 C THR A 102 -26.201 10.870 8.056 1.00 2.11 C ATOM 1613 O THR A 102 -26.309 10.801 9.283 1.00 2.23 O ATOM 1614 CB THR A 102 -28.605 11.113 7.401 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.663 10.187 7.697 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.988 11.954 6.195 1.00 2.72 C ATOM 0 H THR A 102 -28.341 8.692 7.900 1.00 2.05 H new ATOM 0 HA THR A 102 -26.997 10.481 6.104 1.00 2.18 H new ATOM 0 HB THR A 102 -28.447 11.779 8.249 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.493 10.681 7.864 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.913 12.492 6.405 1.00 2.72 H new ATOM 0 HG22 THR A 102 -28.193 12.669 5.983 1.00 2.72 H new ATOM 0 HG23 THR A 102 -29.134 11.306 5.331 1.00 2.72 H new ATOM 1624 N VAL A 103 -25.134 11.382 7.458 1.00 2.05 N ATOM 1625 CA VAL A 103 -24.016 11.924 8.225 1.00 2.08 C ATOM 1626 C VAL A 103 -24.137 13.435 8.345 1.00 2.14 C ATOM 1627 O VAL A 103 -23.366 14.087 9.052 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.658 11.568 7.581 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.439 10.060 7.603 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.573 12.104 6.155 1.00 1.94 C ATOM 0 H VAL A 103 -25.017 11.434 6.446 1.00 2.05 H new ATOM 0 HA VAL A 103 -24.055 11.474 9.217 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.869 12.041 8.165 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.478 9.825 7.146 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.446 9.706 8.634 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.236 9.568 7.045 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.607 11.840 5.724 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -23.370 11.667 5.554 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.681 13.189 6.167 1.00 1.94 H new ATOM 1640 N ASP A 104 -25.114 13.978 7.639 1.00 2.18 N ATOM 1641 CA ASP A 104 -25.379 15.406 7.635 1.00 2.30 C ATOM 1642 C ASP A 104 -26.629 15.704 8.450 1.00 2.65 C ATOM 1643 O ASP A 104 -27.016 16.887 8.550 1.00 2.86 O ATOM 1644 CB ASP A 104 -25.565 15.906 6.199 1.00 2.32 C ATOM 1645 CG ASP A 104 -26.685 15.179 5.477 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.513 13.985 5.149 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -27.747 15.792 5.234 1.00 2.82 O ATOM 0 H ASP A 104 -25.748 13.438 7.050 1.00 2.18 H new ATOM 0 HA ASP A 104 -24.529 15.922 8.081 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -25.779 16.975 6.213 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -24.634 15.774 5.647 1.00 2.32 H new TER 1652 ASP A 104 HETATM 1653 CHA HEM A 400 11.238 10.114 -4.007 1.00 0.46 C HETATM 1654 CHB HEM A 400 10.885 5.743 -2.091 1.00 0.49 C HETATM 1655 CHC HEM A 400 6.138 5.865 -2.654 1.00 0.41 C HETATM 1656 CHD HEM A 400 6.457 10.324 -4.378 1.00 0.38 C HETATM 1657 C1A HEM A 400 11.559 8.889 -3.467 1.00 0.46 C HETATM 1658 C2A HEM A 400 12.909 8.437 -3.205 1.00 0.53 C HETATM 1659 C3A HEM A 400 12.797 7.218 -2.627 1.00 0.54 C HETATM 1660 C4A HEM A 400 11.393 6.920 -2.570 1.00 0.47 C HETATM 1661 CMA HEM A 400 13.910 6.360 -2.123 1.00 0.63 C HETATM 1662 CAA HEM A 400 14.180 9.130 -3.578 1.00 0.61 C HETATM 1663 CBA HEM A 400 15.107 8.244 -4.422 1.00 0.95 C HETATM 1664 CGA HEM A 400 14.921 8.571 -5.899 1.00 0.91 C HETATM 1665 O1A HEM A 400 15.240 9.710 -6.294 1.00 1.48 O HETATM 1666 O2A HEM A 400 14.465 7.690 -6.655 1.00 1.29 O HETATM 1667 C1B HEM A 400 9.560 5.407 -2.065 1.00 0.46 C HETATM 1668 C2B HEM A 400 9.063 4.140 -1.599 1.00 0.51 C HETATM 1669 C3B HEM A 400 7.723 4.162 -1.770 1.00 0.49 C HETATM 1670 C4B HEM A 400 7.407 5.452 -2.337 1.00 0.42 C HETATM 1671 CMB HEM A 400 9.869 3.019 -1.039 1.00 0.60 C HETATM 1672 CAB HEM A 400 6.839 3.136 -1.485 1.00 0.55 C HETATM 1673 CBB HEM A 400 5.518 3.305 -0.725 1.00 1.07 C HETATM 1674 C1C HEM A 400 5.813 7.091 -3.182 1.00 0.37 C HETATM 1675 C2C HEM A 400 4.466 7.506 -3.486 1.00 0.40 C HETATM 1676 C3C HEM A 400 4.553 8.773 -3.960 1.00 0.40 C HETATM 1677 C4C HEM A 400 5.956 9.119 -3.950 1.00 0.36 C HETATM 1678 CMC HEM A 400 3.228 6.690 -3.333 1.00 0.47 C HETATM 1679 CAC HEM A 400 3.507 9.568 -4.388 1.00 0.45 C HETATM 1680 CBC HEM A 400 2.150 9.671 -3.686 1.00 0.52 C HETATM 1681 C1D HEM A 400 7.792 10.664 -4.407 1.00 0.39 C HETATM 1682 C2D HEM A 400 8.296 11.928 -4.882 1.00 0.45 C HETATM 1683 C3D HEM A 400 9.647 11.868 -4.791 1.00 0.47 C HETATM 1684 C4D HEM A 400 9.961 10.564 -4.252 1.00 0.42 C HETATM 1685 CMD HEM A 400 7.487 13.087 -5.358 1.00 0.50 C HETATM 1686 CAD HEM A 400 10.615 12.950 -5.150 1.00 0.55 C HETATM 1687 CBD HEM A 400 11.441 12.615 -6.394 1.00 0.70 C HETATM 1688 CGD HEM A 400 11.972 13.904 -7.008 1.00 1.09 C HETATM 1689 O1D HEM A 400 11.155 14.811 -7.285 1.00 1.52 O HETATM 1690 O2D HEM A 400 13.197 14.005 -7.216 1.00 1.79 O HETATM 1691 NA HEM A 400 10.630 7.946 -3.082 1.00 0.42 N HETATM 1692 NB HEM A 400 8.540 6.215 -2.516 1.00 0.40 N HETATM 1693 NC HEM A 400 6.726 8.082 -3.471 1.00 0.35 N HETATM 1694 ND HEM A 400 8.817 9.829 -4.014 1.00 0.37 N HETATM 1695 FE HEM A 400 8.676 8.027 -3.251 1.00 0.36 FE HETATM 0 HMA1 HEM A 400 13.560 5.771 -1.275 1.00 0.63 H new HETATM 0 HMA2 HEM A 400 14.742 6.990 -1.809 1.00 0.63 H new HETATM 0 HMA3 HEM A 400 14.242 5.691 -2.917 1.00 0.63 H new HETATM 0 HMB1 HEM A 400 10.864 3.028 -1.484 1.00 0.60 H new HETATM 0 HMB2 HEM A 400 9.380 2.071 -1.264 1.00 0.60 H new HETATM 0 HMB3 HEM A 400 9.954 3.136 0.041 1.00 0.60 H new HETATM 0 HMC1 HEM A 400 3.467 5.636 -3.474 1.00 0.47 H new HETATM 0 HMC2 HEM A 400 2.494 6.999 -4.078 1.00 0.47 H new HETATM 0 HMC3 HEM A 400 2.816 6.838 -2.335 1.00 0.47 H new HETATM 0 HMD1 HEM A 400 6.558 12.726 -5.799 1.00 0.50 H new HETATM 0 HMD2 HEM A 400 8.052 13.642 -6.107 1.00 0.50 H new HETATM 0 HMD3 HEM A 400 7.259 13.742 -4.517 1.00 0.50 H new HETATM 0 HBB1 HEM A 400 4.879 2.441 -0.543 1.00 1.07 H new HETATM 0 HBB2 HEM A 400 5.218 4.290 -0.366 1.00 1.07 H new HETATM 0 HBC1 HEM A 400 1.376 10.324 -4.090 1.00 0.52 H new HETATM 0 HBC2 HEM A 400 1.958 9.092 -2.783 1.00 0.52 H new HETATM 0 HBA1 HEM A 400 14.885 7.192 -4.241 1.00 0.95 H new HETATM 0 HBA2 HEM A 400 16.145 8.406 -4.131 1.00 0.95 H new HETATM 0 HAA1 HEM A 400 14.702 9.437 -2.672 1.00 0.61 H new HETATM 0 HAA2 HEM A 400 13.945 10.038 -4.134 1.00 0.61 H new HETATM 0 HBD1 HEM A 400 10.828 12.079 -7.118 1.00 0.70 H new HETATM 0 HBD2 HEM A 400 12.269 11.957 -6.129 1.00 0.70 H new HETATM 0 HAD1 HEM A 400 11.286 13.125 -4.309 1.00 0.55 H new HETATM 0 HAD2 HEM A 400 10.069 13.878 -5.320 1.00 0.55 H new HETATM 0 HHA HEM A 400 12.054 10.775 -4.259 1.00 0.46 H new HETATM 0 HHB HEM A 400 11.588 5.021 -1.702 1.00 0.49 H new HETATM 0 HHC HEM A 400 5.330 5.171 -2.474 1.00 0.41 H new HETATM 0 HHD HEM A 400 5.748 11.064 -4.719 1.00 0.38 H new HETATM 0 HAB HEM A 400 7.101 2.134 -1.826 1.00 0.55 H new HETATM 0 HAC HEM A 400 3.658 10.163 -5.288 1.00 0.45 H new