USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1140 hydrogens (55 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 SER OG : rot -109:sc= 0.874 USER MOD Set 1.2: A 300 PBU O6 : rot 26:sc= 0.504 USER MOD Set 2.1: A 27 LYS NZ :NH3+ -118:sc= 0.861 (180deg=-0.251) USER MOD Set 2.2: A 300 PBU O2 : rot -50:sc= 0.0825 USER MOD Set 3.1: A 29 TYR OH : rot 155:sc= 0.742 USER MOD Set 3.2: A 97 THR OG1 : rot 49:sc= 0.0669 USER MOD Set 4.1: A 72 SER OG : rot 129:sc= 0.386 USER MOD Set 4.2: A 74 ASN : amide:sc= 0.395 K(o=0.78,f=-2.1!) USER MOD Single : A 5 ASN : amide:sc= -0.308 K(o=-0.31,f=-2.8!) USER MOD Single : A 6 SER OG : rot 87:sc= 0.365 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-6.7!) USER MOD Single : A 39 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.4!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 170:sc= -0.0653 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 86:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0912 X(o=0.091,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0873 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= -0.0771 (180deg=-0.332) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 81 THR OG1 : rot 120:sc= -0.729 USER MOD Single : A 83 CYS SG : rot 139:sc= -1.28 USER MOD Single : A 87 CYS SG : rot -120:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.015 (180deg=-0.297) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 107 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0447 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 42:sc= 0.164 USER MOD Single : A 122 SER OG : rot 14:sc= 0.0363 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.5!) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O3 : rot -28:sc= 0.0704 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.183 10.118 2.810 1.00 75.30 N ATOM 2 CA GLY A 2 6.539 10.970 3.793 1.00 42.20 C ATOM 3 C GLY A 2 7.531 11.594 4.755 1.00 22.01 C ATOM 4 O GLY A 2 8.142 12.618 4.450 1.00 43.04 O ATOM 0 HA2 GLY A 2 5.988 11.759 3.281 1.00 42.20 H new ATOM 0 HA3 GLY A 2 5.810 10.386 4.355 1.00 42.20 H new ATOM 8 N ALA A 3 7.689 10.978 5.921 1.00 23.33 N ATOM 9 CA ALA A 3 8.614 11.479 6.932 1.00 72.23 C ATOM 10 C ALA A 3 8.916 10.412 7.978 1.00 33.30 C ATOM 11 O ALA A 3 10.074 10.065 8.207 1.00 64.40 O ATOM 12 CB ALA A 3 8.045 12.725 7.594 1.00 1.44 C ATOM 0 H ALA A 3 7.189 10.131 6.190 1.00 23.33 H new ATOM 0 HA ALA A 3 9.550 11.738 6.437 1.00 72.23 H new ATOM 0 HB1 ALA A 3 8.745 13.089 8.346 1.00 1.44 H new ATOM 0 HB2 ALA A 3 7.887 13.497 6.841 1.00 1.44 H new ATOM 0 HB3 ALA A 3 7.095 12.483 8.069 1.00 1.44 H new ATOM 18 N ARG A 4 7.866 9.895 8.610 1.00 4.20 N ATOM 19 CA ARG A 4 8.021 8.869 9.633 1.00 60.53 C ATOM 20 C ARG A 4 6.689 8.180 9.917 1.00 10.21 C ATOM 21 O ARG A 4 6.294 8.024 11.072 1.00 74.11 O ATOM 22 CB ARG A 4 8.576 9.481 10.921 1.00 74.12 C ATOM 23 CG ARG A 4 9.506 8.552 11.685 1.00 52.34 C ATOM 24 CD ARG A 4 10.381 9.322 12.662 1.00 10.12 C ATOM 25 NE ARG A 4 11.754 9.452 12.182 1.00 23.40 N ATOM 26 CZ ARG A 4 12.601 10.376 12.620 1.00 53.11 C ATOM 27 NH1 ARG A 4 12.218 11.248 13.542 1.00 14.13 N ATOM 28 NH2 ARG A 4 13.834 10.431 12.134 1.00 65.21 N ATOM 0 H ARG A 4 6.900 10.170 8.431 1.00 4.20 H new ATOM 0 HA ARG A 4 8.725 8.124 9.261 1.00 60.53 H new ATOM 0 HB2 ARG A 4 9.113 10.398 10.676 1.00 74.12 H new ATOM 0 HB3 ARG A 4 7.745 9.762 11.568 1.00 74.12 H new ATOM 0 HG2 ARG A 4 8.918 7.811 12.227 1.00 52.34 H new ATOM 0 HG3 ARG A 4 10.136 8.007 10.982 1.00 52.34 H new ATOM 0 HD2 ARG A 4 9.958 10.314 12.824 1.00 10.12 H new ATOM 0 HD3 ARG A 4 10.381 8.814 13.627 1.00 10.12 H new ATOM 0 HE ARG A 4 12.080 8.797 11.471 1.00 23.40 H new ATOM 0 HH11 ARG A 4 11.270 11.210 13.917 1.00 14.13 H new ATOM 0 HH12 ARG A 4 12.871 11.957 13.876 1.00 14.13 H new ATOM 0 HH21 ARG A 4 14.132 9.763 11.423 1.00 65.21 H new ATOM 0 HH22 ARG A 4 14.484 11.141 12.471 1.00 65.21 H new ATOM 42 N ASN A 5 6.002 7.771 8.855 1.00 12.41 N ATOM 43 CA ASN A 5 4.714 7.101 8.990 1.00 33.24 C ATOM 44 C ASN A 5 4.223 6.589 7.640 1.00 73.42 C ATOM 45 O ASN A 5 4.964 6.591 6.657 1.00 73.23 O ATOM 46 CB ASN A 5 3.680 8.054 9.594 1.00 72.41 C ATOM 47 CG ASN A 5 3.288 9.163 8.637 1.00 70.13 C ATOM 48 OD1 ASN A 5 3.995 9.440 7.668 1.00 42.24 O ATOM 49 ND2 ASN A 5 2.157 9.804 8.906 1.00 62.20 N ATOM 0 H ASN A 5 6.316 7.892 7.892 1.00 12.41 H new ATOM 0 HA ASN A 5 4.845 6.248 9.656 1.00 33.24 H new ATOM 0 HB2 ASN A 5 2.791 7.490 9.876 1.00 72.41 H new ATOM 0 HB3 ASN A 5 4.083 8.491 10.507 1.00 72.41 H new ATOM 0 HD21 ASN A 5 1.842 10.560 8.298 1.00 62.20 H new ATOM 0 HD22 ASN A 5 1.603 9.540 9.721 1.00 62.20 H new ATOM 56 N SER A 6 2.969 6.151 7.600 1.00 71.03 N ATOM 57 CA SER A 6 2.378 5.633 6.370 1.00 4.23 C ATOM 58 C SER A 6 2.362 6.702 5.284 1.00 52.52 C ATOM 59 O SER A 6 2.349 7.899 5.574 1.00 54.03 O ATOM 60 CB SER A 6 0.957 5.134 6.633 1.00 33.30 C ATOM 61 OG SER A 6 0.000 6.126 6.306 1.00 54.35 O ATOM 0 H SER A 6 2.342 6.144 8.405 1.00 71.03 H new ATOM 0 HA SER A 6 2.989 4.799 6.025 1.00 4.23 H new ATOM 0 HB2 SER A 6 0.769 4.235 6.046 1.00 33.30 H new ATOM 0 HB3 SER A 6 0.854 4.856 7.682 1.00 33.30 H new ATOM 0 HG SER A 6 -0.228 6.060 5.355 1.00 54.35 H new ATOM 67 N VAL A 7 2.363 6.263 4.029 1.00 24.04 N ATOM 68 CA VAL A 7 2.347 7.182 2.897 1.00 63.53 C ATOM 69 C VAL A 7 0.923 7.590 2.541 1.00 14.24 C ATOM 70 O VAL A 7 0.656 8.756 2.244 1.00 72.42 O ATOM 71 CB VAL A 7 3.014 6.555 1.657 1.00 15.11 C ATOM 72 CG1 VAL A 7 2.965 7.519 0.481 1.00 23.00 C ATOM 73 CG2 VAL A 7 4.447 6.154 1.969 1.00 72.43 C ATOM 0 H VAL A 7 2.375 5.276 3.771 1.00 24.04 H new ATOM 0 HA VAL A 7 2.911 8.065 3.198 1.00 63.53 H new ATOM 0 HB VAL A 7 2.461 5.656 1.383 1.00 15.11 H new ATOM 0 HG11 VAL A 7 3.440 7.060 -0.386 1.00 23.00 H new ATOM 0 HG12 VAL A 7 1.927 7.752 0.245 1.00 23.00 H new ATOM 0 HG13 VAL A 7 3.493 8.437 0.741 1.00 23.00 H new ATOM 0 HG21 VAL A 7 4.903 5.713 1.082 1.00 72.43 H new ATOM 0 HG22 VAL A 7 5.014 7.035 2.269 1.00 72.43 H new ATOM 0 HG23 VAL A 7 4.453 5.426 2.780 1.00 72.43 H new ATOM 83 N LEU A 8 0.010 6.626 2.575 1.00 15.24 N ATOM 84 CA LEU A 8 -1.391 6.886 2.257 1.00 3.32 C ATOM 85 C LEU A 8 -2.170 7.275 3.510 1.00 14.41 C ATOM 86 O LEU A 8 -1.621 7.305 4.611 1.00 24.11 O ATOM 87 CB LEU A 8 -2.025 5.654 1.611 1.00 23.31 C ATOM 88 CG LEU A 8 -1.933 5.573 0.087 1.00 2.01 C ATOM 89 CD1 LEU A 8 -2.545 4.275 -0.417 1.00 64.12 C ATOM 90 CD2 LEU A 8 -2.619 6.771 -0.553 1.00 44.20 C ATOM 0 H LEU A 8 0.214 5.657 2.819 1.00 15.24 H new ATOM 0 HA LEU A 8 -1.430 7.718 1.554 1.00 3.32 H new ATOM 0 HB2 LEU A 8 -1.554 4.765 2.031 1.00 23.31 H new ATOM 0 HB3 LEU A 8 -3.077 5.621 1.894 1.00 23.31 H new ATOM 0 HG LEU A 8 -0.880 5.588 -0.195 1.00 2.01 H new ATOM 0 HD11 LEU A 8 -2.470 4.235 -1.504 1.00 64.12 H new ATOM 0 HD12 LEU A 8 -2.010 3.429 0.015 1.00 64.12 H new ATOM 0 HD13 LEU A 8 -3.594 4.229 -0.124 1.00 64.12 H new ATOM 0 HD21 LEU A 8 -2.544 6.697 -1.638 1.00 44.20 H new ATOM 0 HD22 LEU A 8 -3.669 6.787 -0.262 1.00 44.20 H new ATOM 0 HD23 LEU A 8 -2.136 7.689 -0.218 1.00 44.20 H new ATOM 102 N ARG A 9 -3.453 7.571 3.333 1.00 11.44 N ATOM 103 CA ARG A 9 -4.309 7.957 4.450 1.00 52.24 C ATOM 104 C ARG A 9 -4.656 6.747 5.312 1.00 32.13 C ATOM 105 O ARG A 9 -4.118 5.658 5.117 1.00 4.25 O ATOM 106 CB ARG A 9 -5.590 8.614 3.934 1.00 74.32 C ATOM 107 CG ARG A 9 -5.341 9.801 3.018 1.00 70.22 C ATOM 108 CD ARG A 9 -6.273 9.783 1.816 1.00 5.04 C ATOM 109 NE ARG A 9 -6.926 11.074 1.611 1.00 31.42 N ATOM 110 CZ ARG A 9 -7.959 11.496 2.331 1.00 41.44 C ATOM 111 NH1 ARG A 9 -8.454 10.736 3.297 1.00 31.54 N ATOM 112 NH2 ARG A 9 -8.500 12.683 2.084 1.00 22.40 N ATOM 0 H ARG A 9 -3.923 7.551 2.428 1.00 11.44 H new ATOM 0 HA ARG A 9 -3.763 8.674 5.064 1.00 52.24 H new ATOM 0 HB2 ARG A 9 -6.179 7.870 3.398 1.00 74.32 H new ATOM 0 HB3 ARG A 9 -6.188 8.942 4.784 1.00 74.32 H new ATOM 0 HG2 ARG A 9 -5.482 10.727 3.575 1.00 70.22 H new ATOM 0 HG3 ARG A 9 -4.306 9.788 2.677 1.00 70.22 H new ATOM 0 HD2 ARG A 9 -5.708 9.517 0.923 1.00 5.04 H new ATOM 0 HD3 ARG A 9 -7.030 9.012 1.956 1.00 5.04 H new ATOM 0 HE ARG A 9 -6.569 11.684 0.875 1.00 31.42 H new ATOM 0 HH11 ARG A 9 -8.042 9.823 3.490 1.00 31.54 H new ATOM 0 HH12 ARG A 9 -9.247 11.064 3.848 1.00 31.54 H new ATOM 0 HH21 ARG A 9 -8.122 13.271 1.341 1.00 22.40 H new ATOM 0 HH22 ARG A 9 -9.293 13.007 2.637 1.00 22.40 H new ATOM 126 N GLY A 10 -5.559 6.947 6.267 1.00 35.02 N ATOM 127 CA GLY A 10 -5.963 5.865 7.145 1.00 44.12 C ATOM 128 C GLY A 10 -6.877 4.870 6.458 1.00 42.13 C ATOM 129 O GLY A 10 -6.649 3.661 6.518 1.00 51.35 O ATOM 0 H GLY A 10 -6.018 7.840 6.448 1.00 35.02 H new ATOM 0 HA2 GLY A 10 -5.076 5.347 7.510 1.00 44.12 H new ATOM 0 HA3 GLY A 10 -6.471 6.279 8.016 1.00 44.12 H new ATOM 133 N LYS A 11 -7.916 5.378 5.805 1.00 41.01 N ATOM 134 CA LYS A 11 -8.870 4.527 5.103 1.00 62.12 C ATOM 135 C LYS A 11 -8.152 3.566 4.161 1.00 4.33 C ATOM 136 O LYS A 11 -8.548 2.409 4.016 1.00 44.10 O ATOM 137 CB LYS A 11 -9.864 5.382 4.315 1.00 50.15 C ATOM 138 CG LYS A 11 -11.213 4.714 4.110 1.00 63.44 C ATOM 139 CD LYS A 11 -11.533 4.546 2.634 1.00 11.30 C ATOM 140 CE LYS A 11 -12.628 3.512 2.415 1.00 13.04 C ATOM 141 NZ LYS A 11 -12.504 2.845 1.090 1.00 41.20 N ATOM 0 H LYS A 11 -8.119 6.376 5.747 1.00 41.01 H new ATOM 0 HA LYS A 11 -9.412 3.942 5.846 1.00 62.12 H new ATOM 0 HB2 LYS A 11 -10.012 6.327 4.838 1.00 50.15 H new ATOM 0 HB3 LYS A 11 -9.434 5.620 3.342 1.00 50.15 H new ATOM 0 HG2 LYS A 11 -11.215 3.739 4.597 1.00 63.44 H new ATOM 0 HG3 LYS A 11 -11.991 5.310 4.587 1.00 63.44 H new ATOM 0 HD2 LYS A 11 -11.846 5.503 2.217 1.00 11.30 H new ATOM 0 HD3 LYS A 11 -10.633 4.244 2.098 1.00 11.30 H new ATOM 0 HE2 LYS A 11 -12.582 2.762 3.205 1.00 13.04 H new ATOM 0 HE3 LYS A 11 -13.603 3.994 2.489 1.00 13.04 H new ATOM 0 HZ1 LYS A 11 -13.268 2.148 0.979 1.00 41.20 H new ATOM 0 HZ2 LYS A 11 -12.573 3.557 0.335 1.00 41.20 H new ATOM 0 HZ3 LYS A 11 -11.584 2.363 1.029 1.00 41.20 H new ATOM 155 N LYS A 12 -7.091 4.051 3.524 1.00 12.51 N ATOM 156 CA LYS A 12 -6.314 3.235 2.598 1.00 14.13 C ATOM 157 C LYS A 12 -5.319 2.357 3.351 1.00 14.11 C ATOM 158 O LYS A 12 -5.179 1.170 3.056 1.00 72.10 O ATOM 159 CB LYS A 12 -5.571 4.126 1.601 1.00 50.23 C ATOM 160 CG LYS A 12 -6.491 4.869 0.647 1.00 5.13 C ATOM 161 CD LYS A 12 -7.107 3.931 -0.377 1.00 45.41 C ATOM 162 CE LYS A 12 -8.613 4.120 -0.470 1.00 40.23 C ATOM 163 NZ LYS A 12 -9.206 3.310 -1.570 1.00 34.23 N ATOM 0 H LYS A 12 -6.749 5.006 3.632 1.00 12.51 H new ATOM 0 HA LYS A 12 -7.004 2.589 2.055 1.00 14.13 H new ATOM 0 HB2 LYS A 12 -4.970 4.850 2.151 1.00 50.23 H new ATOM 0 HB3 LYS A 12 -4.880 3.512 1.023 1.00 50.23 H new ATOM 0 HG2 LYS A 12 -7.282 5.362 1.213 1.00 5.13 H new ATOM 0 HG3 LYS A 12 -5.931 5.651 0.135 1.00 5.13 H new ATOM 0 HD2 LYS A 12 -6.656 4.109 -1.353 1.00 45.41 H new ATOM 0 HD3 LYS A 12 -6.885 2.899 -0.107 1.00 45.41 H new ATOM 0 HE2 LYS A 12 -9.074 3.839 0.477 1.00 40.23 H new ATOM 0 HE3 LYS A 12 -8.837 5.174 -0.633 1.00 40.23 H new ATOM 0 HZ1 LYS A 12 -10.234 3.466 -1.601 1.00 34.23 H new ATOM 0 HZ2 LYS A 12 -8.785 3.595 -2.477 1.00 34.23 H new ATOM 0 HZ3 LYS A 12 -9.014 2.302 -1.401 1.00 34.23 H new ATOM 177 N ALA A 13 -4.632 2.948 4.323 1.00 21.44 N ATOM 178 CA ALA A 13 -3.654 2.217 5.119 1.00 42.01 C ATOM 179 C ALA A 13 -4.267 0.958 5.725 1.00 40.54 C ATOM 180 O ALA A 13 -3.609 -0.076 5.829 1.00 4.33 O ATOM 181 CB ALA A 13 -3.092 3.111 6.214 1.00 5.31 C ATOM 0 H ALA A 13 -4.735 3.930 4.578 1.00 21.44 H new ATOM 0 HA ALA A 13 -2.842 1.912 4.460 1.00 42.01 H new ATOM 0 HB1 ALA A 13 -2.363 2.553 6.801 1.00 5.31 H new ATOM 0 HB2 ALA A 13 -2.608 3.978 5.764 1.00 5.31 H new ATOM 0 HB3 ALA A 13 -3.902 3.444 6.863 1.00 5.31 H new ATOM 187 N ASP A 14 -5.531 1.055 6.122 1.00 32.23 N ATOM 188 CA ASP A 14 -6.234 -0.077 6.717 1.00 4.50 C ATOM 189 C ASP A 14 -6.278 -1.257 5.751 1.00 1.24 C ATOM 190 O ASP A 14 -5.794 -2.344 6.065 1.00 64.25 O ATOM 191 CB ASP A 14 -7.654 0.329 7.111 1.00 14.32 C ATOM 192 CG ASP A 14 -7.989 -0.051 8.540 1.00 31.03 C ATOM 193 OD1 ASP A 14 -7.709 -1.206 8.929 1.00 54.20 O ATOM 194 OD2 ASP A 14 -8.529 0.805 9.271 1.00 22.30 O ATOM 0 H ASP A 14 -6.090 1.905 6.043 1.00 32.23 H new ATOM 0 HA ASP A 14 -5.691 -0.383 7.611 1.00 4.50 H new ATOM 0 HB2 ASP A 14 -7.768 1.406 6.988 1.00 14.32 H new ATOM 0 HB3 ASP A 14 -8.365 -0.146 6.435 1.00 14.32 H new ATOM 199 N GLU A 15 -6.862 -1.035 4.579 1.00 40.41 N ATOM 200 CA GLU A 15 -6.971 -2.081 3.570 1.00 44.04 C ATOM 201 C GLU A 15 -5.592 -2.611 3.184 1.00 51.22 C ATOM 202 O GLU A 15 -5.421 -3.803 2.928 1.00 60.04 O ATOM 203 CB GLU A 15 -7.691 -1.551 2.328 1.00 73.12 C ATOM 204 CG GLU A 15 -9.143 -1.990 2.233 1.00 2.32 C ATOM 205 CD GLU A 15 -10.063 -1.155 3.103 1.00 64.41 C ATOM 206 OE1 GLU A 15 -9.621 -0.089 3.580 1.00 22.10 O ATOM 207 OE2 GLU A 15 -11.223 -1.568 3.307 1.00 71.53 O ATOM 0 H GLU A 15 -7.267 -0.140 4.304 1.00 40.41 H new ATOM 0 HA GLU A 15 -7.551 -2.900 3.995 1.00 44.04 H new ATOM 0 HB2 GLU A 15 -7.649 -0.462 2.331 1.00 73.12 H new ATOM 0 HB3 GLU A 15 -7.159 -1.888 1.438 1.00 73.12 H new ATOM 0 HG2 GLU A 15 -9.471 -1.924 1.196 1.00 2.32 H new ATOM 0 HG3 GLU A 15 -9.222 -3.037 2.527 1.00 2.32 H new ATOM 214 N LEU A 16 -4.611 -1.715 3.143 1.00 14.55 N ATOM 215 CA LEU A 16 -3.247 -2.090 2.789 1.00 42.34 C ATOM 216 C LEU A 16 -2.663 -3.056 3.814 1.00 61.23 C ATOM 217 O LEU A 16 -2.056 -4.064 3.456 1.00 60.13 O ATOM 218 CB LEU A 16 -2.365 -0.845 2.685 1.00 53.43 C ATOM 219 CG LEU A 16 -0.969 -1.057 2.098 1.00 1.44 C ATOM 220 CD1 LEU A 16 -0.008 -1.544 3.172 1.00 12.21 C ATOM 221 CD2 LEU A 16 -1.021 -2.042 0.940 1.00 20.32 C ATOM 0 H LEU A 16 -4.735 -0.724 3.351 1.00 14.55 H new ATOM 0 HA LEU A 16 -3.275 -2.590 1.821 1.00 42.34 H new ATOM 0 HB2 LEU A 16 -2.885 -0.106 2.075 1.00 53.43 H new ATOM 0 HB3 LEU A 16 -2.257 -0.417 3.682 1.00 53.43 H new ATOM 0 HG LEU A 16 -0.606 -0.102 1.719 1.00 1.44 H new ATOM 0 HD11 LEU A 16 0.981 -1.690 2.737 1.00 12.21 H new ATOM 0 HD12 LEU A 16 0.052 -0.803 3.969 1.00 12.21 H new ATOM 0 HD13 LEU A 16 -0.367 -2.489 3.581 1.00 12.21 H new ATOM 0 HD21 LEU A 16 -0.019 -2.180 0.535 1.00 20.32 H new ATOM 0 HD22 LEU A 16 -1.405 -2.999 1.293 1.00 20.32 H new ATOM 0 HD23 LEU A 16 -1.677 -1.653 0.161 1.00 20.32 H new ATOM 233 N GLU A 17 -2.855 -2.742 5.091 1.00 11.31 N ATOM 234 CA GLU A 17 -2.349 -3.583 6.169 1.00 5.32 C ATOM 235 C GLU A 17 -3.215 -4.827 6.342 1.00 74.22 C ATOM 236 O GLU A 17 -2.861 -5.745 7.082 1.00 73.33 O ATOM 237 CB GLU A 17 -2.299 -2.797 7.480 1.00 3.21 C ATOM 238 CG GLU A 17 -0.922 -2.241 7.806 1.00 70.11 C ATOM 239 CD GLU A 17 -0.786 -0.774 7.449 1.00 51.12 C ATOM 240 OE1 GLU A 17 -1.638 0.026 7.887 1.00 21.23 O ATOM 241 OE2 GLU A 17 0.174 -0.426 6.729 1.00 30.42 O ATOM 0 H GLU A 17 -3.357 -1.911 5.404 1.00 11.31 H new ATOM 0 HA GLU A 17 -1.340 -3.898 5.904 1.00 5.32 H new ATOM 0 HB2 GLU A 17 -3.011 -1.973 7.427 1.00 3.21 H new ATOM 0 HB3 GLU A 17 -2.622 -3.445 8.295 1.00 3.21 H new ATOM 0 HG2 GLU A 17 -0.724 -2.372 8.870 1.00 70.11 H new ATOM 0 HG3 GLU A 17 -0.166 -2.814 7.268 1.00 70.11 H new ATOM 248 N ARG A 18 -4.352 -4.848 5.654 1.00 71.35 N ATOM 249 CA ARG A 18 -5.271 -5.977 5.732 1.00 21.13 C ATOM 250 C ARG A 18 -4.891 -7.059 4.726 1.00 64.04 C ATOM 251 O ARG A 18 -4.913 -8.249 5.040 1.00 45.22 O ATOM 252 CB ARG A 18 -6.707 -5.513 5.479 1.00 51.13 C ATOM 253 CG ARG A 18 -7.524 -5.340 6.748 1.00 4.21 C ATOM 254 CD ARG A 18 -8.675 -6.332 6.809 1.00 1.22 C ATOM 255 NE ARG A 18 -9.238 -6.435 8.154 1.00 64.45 N ATOM 256 CZ ARG A 18 -10.028 -7.429 8.544 1.00 4.31 C ATOM 257 NH1 ARG A 18 -10.346 -8.399 7.698 1.00 20.34 N ATOM 258 NH2 ARG A 18 -10.500 -7.454 9.784 1.00 11.12 N ATOM 0 H ARG A 18 -4.659 -4.096 5.037 1.00 71.35 H new ATOM 0 HA ARG A 18 -5.204 -6.398 6.735 1.00 21.13 H new ATOM 0 HB2 ARG A 18 -6.684 -4.566 4.940 1.00 51.13 H new ATOM 0 HB3 ARG A 18 -7.205 -6.236 4.832 1.00 51.13 H new ATOM 0 HG2 ARG A 18 -6.880 -5.474 7.617 1.00 4.21 H new ATOM 0 HG3 ARG A 18 -7.915 -4.324 6.794 1.00 4.21 H new ATOM 0 HD2 ARG A 18 -9.455 -6.026 6.112 1.00 1.22 H new ATOM 0 HD3 ARG A 18 -8.326 -7.313 6.486 1.00 1.22 H new ATOM 0 HE ARG A 18 -9.012 -5.705 8.829 1.00 64.45 H new ATOM 0 HH11 ARG A 18 -9.984 -8.383 6.745 1.00 20.34 H new ATOM 0 HH12 ARG A 18 -10.953 -9.161 8.001 1.00 20.34 H new ATOM 0 HH21 ARG A 18 -10.256 -6.710 10.438 1.00 11.12 H new ATOM 0 HH22 ARG A 18 -11.107 -8.217 10.083 1.00 11.12 H new ATOM 272 N ILE A 19 -4.543 -6.637 3.514 1.00 3.22 N ATOM 273 CA ILE A 19 -4.157 -7.569 2.463 1.00 61.13 C ATOM 274 C ILE A 19 -3.079 -8.533 2.950 1.00 14.10 C ATOM 275 O ILE A 19 -2.163 -8.141 3.672 1.00 50.42 O ATOM 276 CB ILE A 19 -3.640 -6.828 1.215 1.00 51.43 C ATOM 277 CG1 ILE A 19 -4.712 -5.876 0.680 1.00 12.11 C ATOM 278 CG2 ILE A 19 -3.224 -7.823 0.142 1.00 50.23 C ATOM 279 CD1 ILE A 19 -4.148 -4.608 0.078 1.00 32.44 C ATOM 0 H ILE A 19 -4.521 -5.656 3.237 1.00 3.22 H new ATOM 0 HA ILE A 19 -5.052 -8.132 2.197 1.00 61.13 H new ATOM 0 HB ILE A 19 -2.766 -6.240 1.496 1.00 51.43 H new ATOM 0 HG12 ILE A 19 -5.303 -6.395 -0.074 1.00 12.11 H new ATOM 0 HG13 ILE A 19 -5.390 -5.613 1.492 1.00 12.11 H new ATOM 0 HG21 ILE A 19 -2.861 -7.284 -0.733 1.00 50.23 H new ATOM 0 HG22 ILE A 19 -2.431 -8.464 0.528 1.00 50.23 H new ATOM 0 HG23 ILE A 19 -4.081 -8.435 -0.139 1.00 50.23 H new ATOM 0 HD11 ILE A 19 -4.964 -3.981 -0.281 1.00 32.44 H new ATOM 0 HD12 ILE A 19 -3.580 -4.067 0.835 1.00 32.44 H new ATOM 0 HD13 ILE A 19 -3.492 -4.861 -0.755 1.00 32.44 H new ATOM 291 N ARG A 20 -3.196 -9.794 2.549 1.00 72.22 N ATOM 292 CA ARG A 20 -2.233 -10.814 2.944 1.00 11.33 C ATOM 293 C ARG A 20 -1.356 -11.221 1.762 1.00 14.45 C ATOM 294 O ARG A 20 -1.737 -11.044 0.604 1.00 25.53 O ATOM 295 CB ARG A 20 -2.956 -12.041 3.503 1.00 51.44 C ATOM 296 CG ARG A 20 -3.414 -11.875 4.943 1.00 55.41 C ATOM 297 CD ARG A 20 -4.628 -12.739 5.244 1.00 54.23 C ATOM 298 NE ARG A 20 -5.429 -12.196 6.339 1.00 53.52 N ATOM 299 CZ ARG A 20 -6.626 -12.662 6.675 1.00 31.23 C ATOM 300 NH1 ARG A 20 -7.159 -13.676 6.006 1.00 3.51 N ATOM 301 NH2 ARG A 20 -7.293 -12.115 7.684 1.00 53.44 N ATOM 0 H ARG A 20 -3.949 -10.134 1.950 1.00 72.22 H new ATOM 0 HA ARG A 20 -1.594 -10.393 3.720 1.00 11.33 H new ATOM 0 HB2 ARG A 20 -3.822 -12.258 2.878 1.00 51.44 H new ATOM 0 HB3 ARG A 20 -2.293 -12.904 3.439 1.00 51.44 H new ATOM 0 HG2 ARG A 20 -2.600 -12.141 5.618 1.00 55.41 H new ATOM 0 HG3 ARG A 20 -3.655 -10.829 5.131 1.00 55.41 H new ATOM 0 HD2 ARG A 20 -5.245 -12.821 4.349 1.00 54.23 H new ATOM 0 HD3 ARG A 20 -4.301 -13.747 5.499 1.00 54.23 H new ATOM 0 HE ARG A 20 -5.048 -11.416 6.875 1.00 53.52 H new ATOM 0 HH11 ARG A 20 -6.649 -14.100 5.231 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -8.079 -14.032 6.267 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -6.886 -11.336 8.202 1.00 53.44 H new ATOM 0 HH22 ARG A 20 -8.213 -12.474 7.941 1.00 53.44 H new ATOM 315 N LEU A 21 -0.183 -11.766 2.063 1.00 14.31 N ATOM 316 CA LEU A 21 0.748 -12.197 1.027 1.00 63.22 C ATOM 317 C LEU A 21 0.375 -13.580 0.501 1.00 70.21 C ATOM 318 O LEU A 21 0.684 -13.927 -0.639 1.00 40.41 O ATOM 319 CB LEU A 21 2.176 -12.216 1.572 1.00 65.12 C ATOM 320 CG LEU A 21 2.708 -10.885 2.107 1.00 60.41 C ATOM 321 CD1 LEU A 21 3.944 -11.110 2.965 1.00 32.20 C ATOM 322 CD2 LEU A 21 3.018 -9.935 0.960 1.00 23.24 C ATOM 0 H LEU A 21 0.146 -11.920 3.016 1.00 14.31 H new ATOM 0 HA LEU A 21 0.690 -11.486 0.203 1.00 63.22 H new ATOM 0 HB2 LEU A 21 2.228 -12.954 2.373 1.00 65.12 H new ATOM 0 HB3 LEU A 21 2.842 -12.558 0.780 1.00 65.12 H new ATOM 0 HG LEU A 21 1.937 -10.431 2.730 1.00 60.41 H new ATOM 0 HD11 LEU A 21 4.308 -10.152 3.337 1.00 32.20 H new ATOM 0 HD12 LEU A 21 3.690 -11.753 3.807 1.00 32.20 H new ATOM 0 HD13 LEU A 21 4.721 -11.586 2.366 1.00 32.20 H new ATOM 0 HD21 LEU A 21 3.395 -8.993 1.359 1.00 23.24 H new ATOM 0 HD22 LEU A 21 3.771 -10.382 0.311 1.00 23.24 H new ATOM 0 HD23 LEU A 21 2.110 -9.748 0.387 1.00 23.24 H new ATOM 334 N ARG A 22 -0.294 -14.366 1.340 1.00 52.41 N ATOM 335 CA ARG A 22 -0.711 -15.710 0.959 1.00 55.32 C ATOM 336 C ARG A 22 -2.204 -15.907 1.209 1.00 25.15 C ATOM 337 O ARG A 22 -2.838 -15.159 1.953 1.00 64.22 O ATOM 338 CB ARG A 22 0.090 -16.754 1.737 1.00 22.34 C ATOM 339 CG ARG A 22 1.201 -17.400 0.925 1.00 52.21 C ATOM 340 CD ARG A 22 1.691 -18.684 1.574 1.00 23.44 C ATOM 341 NE ARG A 22 2.763 -19.312 0.805 1.00 11.25 N ATOM 342 CZ ARG A 22 3.227 -20.532 1.051 1.00 1.44 C ATOM 343 NH1 ARG A 22 2.715 -21.253 2.038 1.00 33.22 N ATOM 344 NH2 ARG A 22 4.204 -21.034 0.307 1.00 11.31 N ATOM 0 H ARG A 22 -0.558 -14.095 2.287 1.00 52.41 H new ATOM 0 HA ARG A 22 -0.519 -15.835 -0.107 1.00 55.32 H new ATOM 0 HB2 ARG A 22 0.523 -16.283 2.619 1.00 22.34 H new ATOM 0 HB3 ARG A 22 -0.588 -17.530 2.091 1.00 22.34 H new ATOM 0 HG2 ARG A 22 0.840 -17.614 -0.081 1.00 52.21 H new ATOM 0 HG3 ARG A 22 2.032 -16.702 0.824 1.00 52.21 H new ATOM 0 HD2 ARG A 22 2.046 -18.468 2.582 1.00 23.44 H new ATOM 0 HD3 ARG A 22 0.859 -19.381 1.672 1.00 23.44 H new ATOM 0 HE ARG A 22 3.178 -18.784 0.037 1.00 11.25 H new ATOM 0 HH11 ARG A 22 1.963 -20.871 2.611 1.00 33.22 H new ATOM 0 HH12 ARG A 22 3.073 -22.190 2.224 1.00 33.22 H new ATOM 0 HH21 ARG A 22 4.600 -20.483 -0.455 1.00 11.31 H new ATOM 0 HH22 ARG A 22 4.560 -21.971 0.497 1.00 11.31 H new ATOM 358 N PRO A 23 -2.779 -16.938 0.573 1.00 21.21 N ATOM 359 CA PRO A 23 -4.203 -17.258 0.711 1.00 60.34 C ATOM 360 C PRO A 23 -4.545 -17.796 2.096 1.00 72.22 C ATOM 361 O PRO A 23 -5.643 -17.575 2.605 1.00 50.23 O ATOM 362 CB PRO A 23 -4.428 -18.337 -0.352 1.00 14.24 C ATOM 363 CG PRO A 23 -3.092 -18.967 -0.542 1.00 3.30 C ATOM 364 CD PRO A 23 -2.083 -17.871 -0.330 1.00 0.11 C ATOM 0 HA PRO A 23 -4.833 -16.377 0.585 1.00 60.34 H new ATOM 0 HB2 PRO A 23 -5.167 -19.068 -0.024 1.00 14.24 H new ATOM 0 HB3 PRO A 23 -4.798 -17.905 -1.282 1.00 14.24 H new ATOM 0 HG2 PRO A 23 -2.940 -19.780 0.168 1.00 3.30 H new ATOM 0 HG3 PRO A 23 -3.000 -19.394 -1.541 1.00 3.30 H new ATOM 0 HD2 PRO A 23 -1.164 -18.251 0.116 1.00 0.11 H new ATOM 0 HD3 PRO A 23 -1.807 -17.391 -1.269 1.00 0.11 H new ATOM 372 N GLY A 24 -3.595 -18.502 2.703 1.00 75.45 N ATOM 373 CA GLY A 24 -3.817 -19.060 4.024 1.00 44.42 C ATOM 374 C GLY A 24 -2.643 -18.826 4.955 1.00 33.11 C ATOM 375 O GLY A 24 -2.425 -19.591 5.894 1.00 53.11 O ATOM 0 H GLY A 24 -2.677 -18.697 2.304 1.00 75.45 H new ATOM 0 HA2 GLY A 24 -4.714 -18.617 4.457 1.00 44.42 H new ATOM 0 HA3 GLY A 24 -4.000 -20.131 3.937 1.00 44.42 H new ATOM 379 N GLY A 25 -1.884 -17.767 4.694 1.00 0.10 N ATOM 380 CA GLY A 25 -0.735 -17.455 5.523 1.00 24.03 C ATOM 381 C GLY A 25 -1.061 -16.451 6.612 1.00 22.21 C ATOM 382 O GLY A 25 -2.228 -16.154 6.864 1.00 75.32 O ATOM 0 H GLY A 25 -2.044 -17.119 3.923 1.00 0.10 H new ATOM 0 HA2 GLY A 25 -0.360 -18.371 5.979 1.00 24.03 H new ATOM 0 HA3 GLY A 25 0.065 -17.060 4.896 1.00 24.03 H new ATOM 386 N LYS A 26 -0.026 -15.928 7.261 1.00 41.03 N ATOM 387 CA LYS A 26 -0.207 -14.952 8.329 1.00 4.41 C ATOM 388 C LYS A 26 0.718 -13.754 8.134 1.00 72.21 C ATOM 389 O LYS A 26 1.348 -13.282 9.080 1.00 64.21 O ATOM 390 CB LYS A 26 0.061 -15.600 9.690 1.00 42.41 C ATOM 391 CG LYS A 26 -0.801 -15.041 10.808 1.00 2.43 C ATOM 392 CD LYS A 26 0.046 -14.463 11.929 1.00 2.42 C ATOM 393 CE LYS A 26 -0.778 -13.571 12.847 1.00 64.43 C ATOM 394 NZ LYS A 26 -1.307 -14.322 14.019 1.00 2.51 N ATOM 0 H LYS A 26 0.947 -16.164 7.066 1.00 41.03 H new ATOM 0 HA LYS A 26 -1.239 -14.602 8.296 1.00 4.41 H new ATOM 0 HB2 LYS A 26 -0.110 -16.674 9.612 1.00 42.41 H new ATOM 0 HB3 LYS A 26 1.111 -15.463 9.948 1.00 42.41 H new ATOM 0 HG2 LYS A 26 -1.457 -14.267 10.410 1.00 2.43 H new ATOM 0 HG3 LYS A 26 -1.441 -15.829 11.204 1.00 2.43 H new ATOM 0 HD2 LYS A 26 0.488 -15.274 12.508 1.00 2.42 H new ATOM 0 HD3 LYS A 26 0.870 -13.889 11.505 1.00 2.42 H new ATOM 0 HE2 LYS A 26 -0.163 -12.741 13.195 1.00 64.43 H new ATOM 0 HE3 LYS A 26 -1.608 -13.140 12.287 1.00 64.43 H new ATOM 0 HZ1 LYS A 26 -1.863 -13.681 14.620 1.00 2.51 H new ATOM 0 HZ2 LYS A 26 -1.914 -15.099 13.688 1.00 2.51 H new ATOM 0 HZ3 LYS A 26 -0.514 -14.712 14.568 1.00 2.51 H new ATOM 408 N LYS A 27 0.792 -13.266 6.900 1.00 12.02 N ATOM 409 CA LYS A 27 1.637 -12.121 6.580 1.00 31.05 C ATOM 410 C LYS A 27 0.858 -11.073 5.791 1.00 33.31 C ATOM 411 O LYS A 27 0.364 -11.346 4.697 1.00 73.24 O ATOM 412 CB LYS A 27 2.860 -12.572 5.780 1.00 70.13 C ATOM 413 CG LYS A 27 3.634 -13.702 6.436 1.00 1.12 C ATOM 414 CD LYS A 27 4.739 -14.221 5.530 1.00 74.24 C ATOM 415 CE LYS A 27 6.091 -13.637 5.908 1.00 41.32 C ATOM 416 NZ LYS A 27 7.207 -14.567 5.581 1.00 72.21 N ATOM 0 H LYS A 27 0.277 -13.645 6.105 1.00 12.02 H new ATOM 0 HA LYS A 27 1.968 -11.673 7.517 1.00 31.05 H new ATOM 0 HB2 LYS A 27 2.538 -12.891 4.789 1.00 70.13 H new ATOM 0 HB3 LYS A 27 3.526 -11.721 5.640 1.00 70.13 H new ATOM 0 HG2 LYS A 27 4.065 -13.352 7.374 1.00 1.12 H new ATOM 0 HG3 LYS A 27 2.952 -14.516 6.683 1.00 1.12 H new ATOM 0 HD2 LYS A 27 4.781 -15.308 5.592 1.00 74.24 H new ATOM 0 HD3 LYS A 27 4.510 -13.970 4.494 1.00 74.24 H new ATOM 0 HE2 LYS A 27 6.239 -12.693 5.383 1.00 41.32 H new ATOM 0 HE3 LYS A 27 6.105 -13.414 6.975 1.00 41.32 H new ATOM 0 HZ1 LYS A 27 7.704 -14.834 6.455 1.00 72.21 H new ATOM 0 HZ2 LYS A 27 6.826 -15.420 5.125 1.00 72.21 H new ATOM 0 HZ3 LYS A 27 7.872 -14.097 4.934 1.00 72.21 H new ATOM 430 N LYS A 28 0.752 -9.874 6.353 1.00 50.30 N ATOM 431 CA LYS A 28 0.035 -8.784 5.702 1.00 64.34 C ATOM 432 C LYS A 28 1.007 -7.733 5.174 1.00 53.35 C ATOM 433 O LYS A 28 2.034 -7.455 5.794 1.00 75.53 O ATOM 434 CB LYS A 28 -0.951 -8.139 6.679 1.00 44.24 C ATOM 435 CG LYS A 28 -2.185 -8.982 6.944 1.00 64.24 C ATOM 436 CD LYS A 28 -2.725 -8.754 8.346 1.00 71.32 C ATOM 437 CE LYS A 28 -2.804 -10.055 9.130 1.00 3.45 C ATOM 438 NZ LYS A 28 -1.601 -10.260 9.985 1.00 72.51 N ATOM 0 H LYS A 28 1.154 -9.632 7.259 1.00 50.30 H new ATOM 0 HA LYS A 28 -0.518 -9.198 4.859 1.00 64.34 H new ATOM 0 HB2 LYS A 28 -0.441 -7.949 7.624 1.00 44.24 H new ATOM 0 HB3 LYS A 28 -1.260 -7.171 6.284 1.00 44.24 H new ATOM 0 HG2 LYS A 28 -2.956 -8.740 6.212 1.00 64.24 H new ATOM 0 HG3 LYS A 28 -1.941 -10.036 6.814 1.00 64.24 H new ATOM 0 HD2 LYS A 28 -2.084 -8.048 8.874 1.00 71.32 H new ATOM 0 HD3 LYS A 28 -3.715 -8.303 8.287 1.00 71.32 H new ATOM 0 HE2 LYS A 28 -3.697 -10.049 9.755 1.00 3.45 H new ATOM 0 HE3 LYS A 28 -2.905 -10.891 8.438 1.00 3.45 H new ATOM 0 HZ1 LYS A 28 -1.692 -11.157 10.503 1.00 72.51 H new ATOM 0 HZ2 LYS A 28 -0.751 -10.291 9.387 1.00 72.51 H new ATOM 0 HZ3 LYS A 28 -1.519 -9.475 10.663 1.00 72.51 H new ATOM 452 N TYR A 29 0.674 -7.151 4.027 1.00 43.11 N ATOM 453 CA TYR A 29 1.518 -6.130 3.415 1.00 23.43 C ATOM 454 C TYR A 29 1.750 -4.968 4.376 1.00 61.14 C ATOM 455 O TYR A 29 0.869 -4.609 5.158 1.00 52.13 O ATOM 456 CB TYR A 29 0.881 -5.620 2.122 1.00 0.21 C ATOM 457 CG TYR A 29 1.168 -6.490 0.921 1.00 62.50 C ATOM 458 CD1 TYR A 29 2.421 -6.488 0.319 1.00 72.12 C ATOM 459 CD2 TYR A 29 0.187 -7.317 0.386 1.00 5.23 C ATOM 460 CE1 TYR A 29 2.687 -7.281 -0.780 1.00 25.15 C ATOM 461 CE2 TYR A 29 0.445 -8.115 -0.711 1.00 52.30 C ATOM 462 CZ TYR A 29 1.696 -8.094 -1.291 1.00 0.22 C ATOM 463 OH TYR A 29 1.957 -8.887 -2.385 1.00 51.53 O ATOM 0 H TYR A 29 -0.173 -7.368 3.502 1.00 43.11 H new ATOM 0 HA TYR A 29 2.482 -6.582 3.182 1.00 23.43 H new ATOM 0 HB2 TYR A 29 -0.198 -5.552 2.261 1.00 0.21 H new ATOM 0 HB3 TYR A 29 1.241 -4.611 1.923 1.00 0.21 H new ATOM 0 HD1 TYR A 29 3.200 -5.855 0.718 1.00 72.12 H new ATOM 0 HD2 TYR A 29 -0.794 -7.336 0.836 1.00 5.23 H new ATOM 0 HE1 TYR A 29 3.665 -7.265 -1.237 1.00 25.15 H new ATOM 0 HE2 TYR A 29 -0.329 -8.752 -1.113 1.00 52.30 H new ATOM 0 HH TYR A 29 1.351 -9.657 -2.383 1.00 51.53 H new ATOM 473 N ARG A 30 2.942 -4.382 4.310 1.00 33.45 N ATOM 474 CA ARG A 30 3.290 -3.260 5.173 1.00 63.41 C ATOM 475 C ARG A 30 4.370 -2.396 4.530 1.00 43.43 C ATOM 476 O ARG A 30 4.971 -2.778 3.525 1.00 25.21 O ATOM 477 CB ARG A 30 3.771 -3.767 6.534 1.00 23.40 C ATOM 478 CG ARG A 30 2.968 -3.222 7.704 1.00 24.12 C ATOM 479 CD ARG A 30 3.825 -3.088 8.953 1.00 4.13 C ATOM 480 NE ARG A 30 3.706 -4.252 9.828 1.00 51.44 N ATOM 481 CZ ARG A 30 4.304 -4.348 11.009 1.00 1.33 C ATOM 482 NH1 ARG A 30 5.060 -3.354 11.456 1.00 1.51 N ATOM 483 NH2 ARG A 30 4.147 -5.439 11.748 1.00 13.32 N ATOM 0 H ARG A 30 3.682 -4.666 3.668 1.00 33.45 H new ATOM 0 HA ARG A 30 2.397 -2.651 5.314 1.00 63.41 H new ATOM 0 HB2 ARG A 30 3.721 -4.856 6.545 1.00 23.40 H new ATOM 0 HB3 ARG A 30 4.818 -3.495 6.665 1.00 23.40 H new ATOM 0 HG2 ARG A 30 2.553 -2.249 7.440 1.00 24.12 H new ATOM 0 HG3 ARG A 30 2.126 -3.883 7.908 1.00 24.12 H new ATOM 0 HD2 ARG A 30 4.868 -2.957 8.664 1.00 4.13 H new ATOM 0 HD3 ARG A 30 3.531 -2.192 9.500 1.00 4.13 H new ATOM 0 HE ARG A 30 3.132 -5.034 9.514 1.00 51.44 H new ATOM 0 HH11 ARG A 30 5.183 -2.513 10.892 1.00 1.51 H new ATOM 0 HH12 ARG A 30 5.518 -3.430 12.364 1.00 1.51 H new ATOM 0 HH21 ARG A 30 3.566 -6.206 11.409 1.00 13.32 H new ATOM 0 HH22 ARG A 30 4.607 -5.511 12.655 1.00 13.32 H new ATOM 497 N LEU A 31 4.611 -1.227 5.115 1.00 61.11 N ATOM 498 CA LEU A 31 5.618 -0.306 4.599 1.00 22.40 C ATOM 499 C LEU A 31 6.909 -1.045 4.261 1.00 10.14 C ATOM 500 O LEU A 31 7.610 -0.692 3.313 1.00 5.11 O ATOM 501 CB LEU A 31 5.900 0.797 5.621 1.00 72.22 C ATOM 502 CG LEU A 31 5.537 2.218 5.191 1.00 74.13 C ATOM 503 CD1 LEU A 31 4.032 2.427 5.258 1.00 14.43 C ATOM 504 CD2 LEU A 31 6.258 3.239 6.059 1.00 44.32 C ATOM 0 H LEU A 31 4.123 -0.895 5.947 1.00 61.11 H new ATOM 0 HA LEU A 31 5.229 0.145 3.686 1.00 22.40 H new ATOM 0 HB2 LEU A 31 5.355 0.565 6.536 1.00 72.22 H new ATOM 0 HB3 LEU A 31 6.961 0.773 5.868 1.00 72.22 H new ATOM 0 HG LEU A 31 5.858 2.358 4.159 1.00 74.13 H new ATOM 0 HD11 LEU A 31 3.792 3.444 4.948 1.00 14.43 H new ATOM 0 HD12 LEU A 31 3.536 1.719 4.594 1.00 14.43 H new ATOM 0 HD13 LEU A 31 3.688 2.268 6.280 1.00 14.43 H new ATOM 0 HD21 LEU A 31 5.987 4.245 5.738 1.00 44.32 H new ATOM 0 HD22 LEU A 31 5.969 3.100 7.101 1.00 44.32 H new ATOM 0 HD23 LEU A 31 7.335 3.104 5.961 1.00 44.32 H new ATOM 516 N LYS A 32 7.217 -2.074 5.044 1.00 22.11 N ATOM 517 CA LYS A 32 8.422 -2.866 4.827 1.00 71.32 C ATOM 518 C LYS A 32 8.530 -3.305 3.371 1.00 64.05 C ATOM 519 O LYS A 32 9.605 -3.247 2.772 1.00 3.33 O ATOM 520 CB LYS A 32 8.422 -4.093 5.742 1.00 34.30 C ATOM 521 CG LYS A 32 9.282 -3.927 6.983 1.00 41.20 C ATOM 522 CD LYS A 32 9.166 -5.127 7.907 1.00 72.41 C ATOM 523 CE LYS A 32 7.836 -5.136 8.646 1.00 64.44 C ATOM 524 NZ LYS A 32 8.011 -4.901 10.105 1.00 33.21 N ATOM 0 H LYS A 32 6.649 -2.379 5.834 1.00 22.11 H new ATOM 0 HA LYS A 32 9.284 -2.243 5.065 1.00 71.32 H new ATOM 0 HB2 LYS A 32 7.398 -4.309 6.046 1.00 34.30 H new ATOM 0 HB3 LYS A 32 8.776 -4.956 5.178 1.00 34.30 H new ATOM 0 HG2 LYS A 32 10.323 -3.792 6.690 1.00 41.20 H new ATOM 0 HG3 LYS A 32 8.982 -3.025 7.517 1.00 41.20 H new ATOM 0 HD2 LYS A 32 9.268 -6.045 7.328 1.00 72.41 H new ATOM 0 HD3 LYS A 32 9.984 -5.113 8.628 1.00 72.41 H new ATOM 0 HE2 LYS A 32 7.184 -4.368 8.230 1.00 64.44 H new ATOM 0 HE3 LYS A 32 7.340 -6.094 8.489 1.00 64.44 H new ATOM 0 HZ1 LYS A 32 7.082 -4.915 10.573 1.00 33.21 H new ATOM 0 HZ2 LYS A 32 8.612 -5.648 10.507 1.00 33.21 H new ATOM 0 HZ3 LYS A 32 8.461 -3.976 10.256 1.00 33.21 H new ATOM 538 N HIS A 33 7.410 -3.743 2.805 1.00 64.14 N ATOM 539 CA HIS A 33 7.379 -4.190 1.416 1.00 75.50 C ATOM 540 C HIS A 33 7.387 -2.999 0.462 1.00 13.21 C ATOM 541 O HIS A 33 8.033 -3.114 -0.580 1.00 34.03 O ATOM 542 CB HIS A 33 6.141 -5.052 1.162 1.00 35.23 C ATOM 543 CG HIS A 33 5.953 -6.141 2.174 1.00 75.32 C ATOM 544 ND1 HIS A 33 4.910 -6.159 3.076 1.00 5.33 N ATOM 545 CD2 HIS A 33 6.681 -7.255 2.420 1.00 34.32 C ATOM 546 CE1 HIS A 33 5.007 -7.237 3.835 1.00 13.21 C ATOM 547 NE2 HIS A 33 6.073 -7.919 3.456 1.00 14.11 N ATOM 0 H HIS A 33 6.512 -3.798 3.286 1.00 64.14 H new ATOM 0 HA HIS A 33 8.272 -4.787 1.233 1.00 75.50 H new ATOM 0 HB2 HIS A 33 5.258 -4.413 1.159 1.00 35.23 H new ATOM 0 HB3 HIS A 33 6.216 -5.498 0.170 1.00 35.23 H new ATOM 0 HD2 HIS A 33 7.575 -7.564 1.898 1.00 34.32 H new ATOM 0 HE1 HIS A 33 4.330 -7.513 4.630 1.00 13.21 H new ATOM 0 HE2 HIS A 33 6.392 -8.796 3.867 1.00 14.11 H new ATOM 555 N ILE A 34 6.712 -1.899 0.778 1.00 35.23 N ATOM 556 CA ILE A 34 6.692 -0.736 -0.100 1.00 71.21 C ATOM 557 C ILE A 34 8.083 -0.129 -0.239 1.00 55.50 C ATOM 558 O ILE A 34 8.451 0.373 -1.302 1.00 14.14 O ATOM 559 CB ILE A 34 5.721 0.342 0.415 1.00 13.52 C ATOM 560 CG1 ILE A 34 4.390 -0.291 0.823 1.00 31.44 C ATOM 561 CG2 ILE A 34 5.503 1.410 -0.646 1.00 60.14 C ATOM 562 CD1 ILE A 34 3.328 0.720 1.194 1.00 52.11 C ATOM 0 H ILE A 34 6.172 -1.789 1.636 1.00 35.23 H new ATOM 0 HA ILE A 34 6.351 -1.083 -1.076 1.00 71.21 H new ATOM 0 HB ILE A 34 6.161 0.815 1.293 1.00 13.52 H new ATOM 0 HG12 ILE A 34 4.023 -0.906 0.002 1.00 31.44 H new ATOM 0 HG13 ILE A 34 4.558 -0.957 1.670 1.00 31.44 H new ATOM 0 HG21 ILE A 34 4.814 2.165 -0.266 1.00 60.14 H new ATOM 0 HG22 ILE A 34 6.456 1.879 -0.891 1.00 60.14 H new ATOM 0 HG23 ILE A 34 5.082 0.953 -1.542 1.00 60.14 H new ATOM 0 HD11 ILE A 34 2.412 0.200 1.472 1.00 52.11 H new ATOM 0 HD12 ILE A 34 3.675 1.320 2.036 1.00 52.11 H new ATOM 0 HD13 ILE A 34 3.131 1.370 0.342 1.00 52.11 H new ATOM 574 N VAL A 35 8.855 -0.177 0.842 1.00 62.33 N ATOM 575 CA VAL A 35 10.208 0.366 0.841 1.00 11.01 C ATOM 576 C VAL A 35 11.158 -0.528 0.053 1.00 64.11 C ATOM 577 O VAL A 35 11.942 -0.049 -0.767 1.00 30.14 O ATOM 578 CB VAL A 35 10.747 0.534 2.274 1.00 63.12 C ATOM 579 CG1 VAL A 35 12.180 1.042 2.249 1.00 12.44 C ATOM 580 CG2 VAL A 35 9.853 1.470 3.073 1.00 73.12 C ATOM 0 H VAL A 35 8.566 -0.587 1.730 1.00 62.33 H new ATOM 0 HA VAL A 35 10.156 1.345 0.364 1.00 11.01 H new ATOM 0 HB VAL A 35 10.742 -0.440 2.763 1.00 63.12 H new ATOM 0 HG11 VAL A 35 12.544 1.155 3.270 1.00 12.44 H new ATOM 0 HG12 VAL A 35 12.809 0.329 1.716 1.00 12.44 H new ATOM 0 HG13 VAL A 35 12.215 2.007 1.743 1.00 12.44 H new ATOM 0 HG21 VAL A 35 10.249 1.577 4.083 1.00 73.12 H new ATOM 0 HG22 VAL A 35 9.824 2.446 2.589 1.00 73.12 H new ATOM 0 HG23 VAL A 35 8.845 1.058 3.120 1.00 73.12 H new ATOM 590 N TRP A 36 11.083 -1.830 0.306 1.00 44.31 N ATOM 591 CA TRP A 36 11.938 -2.792 -0.380 1.00 10.00 C ATOM 592 C TRP A 36 11.677 -2.778 -1.882 1.00 4.33 C ATOM 593 O TRP A 36 12.533 -3.172 -2.673 1.00 73.44 O ATOM 594 CB TRP A 36 11.706 -4.198 0.176 1.00 3.53 C ATOM 595 CG TRP A 36 12.390 -5.271 -0.617 1.00 35.11 C ATOM 596 CD1 TRP A 36 13.587 -5.864 -0.332 1.00 32.33 C ATOM 597 CD2 TRP A 36 11.917 -5.876 -1.825 1.00 42.41 C ATOM 598 NE1 TRP A 36 13.887 -6.801 -1.291 1.00 34.22 N ATOM 599 CE2 TRP A 36 12.878 -6.828 -2.217 1.00 44.24 C ATOM 600 CE3 TRP A 36 10.775 -5.706 -2.613 1.00 63.21 C ATOM 601 CZ2 TRP A 36 12.730 -7.606 -3.363 1.00 33.15 C ATOM 602 CZ3 TRP A 36 10.631 -6.479 -3.750 1.00 33.31 C ATOM 603 CH2 TRP A 36 11.602 -7.420 -4.115 1.00 41.22 C ATOM 0 H TRP A 36 10.439 -2.243 0.981 1.00 44.31 H new ATOM 0 HA TRP A 36 12.976 -2.506 -0.207 1.00 10.00 H new ATOM 0 HB2 TRP A 36 12.060 -4.236 1.206 1.00 3.53 H new ATOM 0 HB3 TRP A 36 10.635 -4.400 0.199 1.00 3.53 H new ATOM 0 HD1 TRP A 36 14.206 -5.631 0.521 1.00 32.33 H new ATOM 0 HE1 TRP A 36 14.725 -7.382 -1.310 1.00 34.22 H new ATOM 0 HE3 TRP A 36 10.020 -4.985 -2.339 1.00 63.21 H new ATOM 0 HZ2 TRP A 36 13.479 -8.330 -3.648 1.00 33.15 H new ATOM 0 HZ3 TRP A 36 9.754 -6.355 -4.368 1.00 33.31 H new ATOM 0 HH2 TRP A 36 11.458 -8.011 -5.008 1.00 41.22 H new ATOM 614 N ALA A 37 10.490 -2.320 -2.268 1.00 24.24 N ATOM 615 CA ALA A 37 10.119 -2.252 -3.675 1.00 60.53 C ATOM 616 C ALA A 37 10.790 -1.068 -4.365 1.00 22.34 C ATOM 617 O ALA A 37 11.518 -1.239 -5.342 1.00 4.32 O ATOM 618 CB ALA A 37 8.607 -2.160 -3.819 1.00 34.25 C ATOM 0 H ALA A 37 9.770 -1.991 -1.625 1.00 24.24 H new ATOM 0 HA ALA A 37 10.465 -3.165 -4.159 1.00 60.53 H new ATOM 0 HB1 ALA A 37 8.345 -2.110 -4.876 1.00 34.25 H new ATOM 0 HB2 ALA A 37 8.145 -3.040 -3.372 1.00 34.25 H new ATOM 0 HB3 ALA A 37 8.247 -1.264 -3.313 1.00 34.25 H new ATOM 624 N ALA A 38 10.539 0.131 -3.848 1.00 23.42 N ATOM 625 CA ALA A 38 11.121 1.341 -4.413 1.00 11.40 C ATOM 626 C ALA A 38 12.644 1.296 -4.358 1.00 50.44 C ATOM 627 O ALA A 38 13.321 1.735 -5.287 1.00 61.24 O ATOM 628 CB ALA A 38 10.600 2.569 -3.679 1.00 72.21 C ATOM 0 H ALA A 38 9.937 0.289 -3.040 1.00 23.42 H new ATOM 0 HA ALA A 38 10.824 1.403 -5.460 1.00 11.40 H new ATOM 0 HB1 ALA A 38 11.043 3.466 -4.111 1.00 72.21 H new ATOM 0 HB2 ALA A 38 9.515 2.617 -3.775 1.00 72.21 H new ATOM 0 HB3 ALA A 38 10.868 2.504 -2.625 1.00 72.21 H new ATOM 634 N ASN A 39 13.176 0.764 -3.263 1.00 2.42 N ATOM 635 CA ASN A 39 14.621 0.664 -3.087 1.00 30.03 C ATOM 636 C ASN A 39 15.247 -0.174 -4.198 1.00 54.40 C ATOM 637 O ASN A 39 16.361 0.101 -4.646 1.00 74.30 O ATOM 638 CB ASN A 39 14.948 0.050 -1.724 1.00 63.20 C ATOM 639 CG ASN A 39 15.297 1.099 -0.686 1.00 53.41 C ATOM 640 OD1 ASN A 39 14.675 1.169 0.374 1.00 12.12 O ATOM 641 ND2 ASN A 39 16.295 1.922 -0.988 1.00 75.13 N ATOM 0 H ASN A 39 12.629 0.396 -2.485 1.00 2.42 H new ATOM 0 HA ASN A 39 15.039 1.670 -3.135 1.00 30.03 H new ATOM 0 HB2 ASN A 39 14.094 -0.531 -1.376 1.00 63.20 H new ATOM 0 HB3 ASN A 39 15.783 -0.643 -1.831 1.00 63.20 H new ATOM 0 HD21 ASN A 39 16.574 2.649 -0.329 1.00 75.13 H new ATOM 0 HD22 ASN A 39 16.783 1.827 -1.879 1.00 75.13 H new ATOM 648 N LYS A 40 14.524 -1.197 -4.640 1.00 34.35 N ATOM 649 CA LYS A 40 15.006 -2.075 -5.699 1.00 11.23 C ATOM 650 C LYS A 40 14.888 -1.399 -7.061 1.00 45.32 C ATOM 651 O LYS A 40 15.739 -1.584 -7.932 1.00 44.04 O ATOM 652 CB LYS A 40 14.218 -3.387 -5.701 1.00 20.35 C ATOM 653 CG LYS A 40 14.773 -4.431 -4.745 1.00 51.30 C ATOM 654 CD LYS A 40 15.329 -5.631 -5.493 1.00 1.24 C ATOM 655 CE LYS A 40 15.958 -6.637 -4.541 1.00 43.30 C ATOM 656 NZ LYS A 40 17.407 -6.368 -4.330 1.00 25.32 N ATOM 0 H LYS A 40 13.601 -1.439 -4.280 1.00 34.35 H new ATOM 0 HA LYS A 40 16.057 -2.290 -5.508 1.00 11.23 H new ATOM 0 HB2 LYS A 40 13.181 -3.179 -5.437 1.00 20.35 H new ATOM 0 HB3 LYS A 40 14.213 -3.797 -6.711 1.00 20.35 H new ATOM 0 HG2 LYS A 40 15.558 -3.986 -4.134 1.00 51.30 H new ATOM 0 HG3 LYS A 40 13.987 -4.757 -4.065 1.00 51.30 H new ATOM 0 HD2 LYS A 40 14.530 -6.112 -6.057 1.00 1.24 H new ATOM 0 HD3 LYS A 40 16.073 -5.298 -6.216 1.00 1.24 H new ATOM 0 HE2 LYS A 40 15.439 -6.604 -3.583 1.00 43.30 H new ATOM 0 HE3 LYS A 40 15.829 -7.644 -4.939 1.00 43.30 H new ATOM 0 HZ1 LYS A 40 17.800 -7.075 -3.676 1.00 25.32 H new ATOM 0 HZ2 LYS A 40 17.907 -6.424 -5.240 1.00 25.32 H new ATOM 0 HZ3 LYS A 40 17.528 -5.417 -3.926 1.00 25.32 H new ATOM 670 N LEU A 41 13.832 -0.613 -7.237 1.00 74.24 N ATOM 671 CA LEU A 41 13.604 0.093 -8.494 1.00 63.13 C ATOM 672 C LEU A 41 14.681 1.148 -8.728 1.00 32.22 C ATOM 673 O LEU A 41 15.346 1.151 -9.763 1.00 41.04 O ATOM 674 CB LEU A 41 12.223 0.748 -8.490 1.00 53.44 C ATOM 675 CG LEU A 41 11.046 -0.163 -8.842 1.00 1.54 C ATOM 676 CD1 LEU A 41 9.787 0.659 -9.077 1.00 25.33 C ATOM 677 CD2 LEU A 41 11.371 -1.005 -10.066 1.00 50.53 C ATOM 0 H LEU A 41 13.120 -0.448 -6.526 1.00 74.24 H new ATOM 0 HA LEU A 41 13.651 -0.634 -9.305 1.00 63.13 H new ATOM 0 HB2 LEU A 41 12.046 1.170 -7.501 1.00 53.44 H new ATOM 0 HB3 LEU A 41 12.236 1.580 -9.194 1.00 53.44 H new ATOM 0 HG LEU A 41 10.866 -0.834 -8.002 1.00 1.54 H new ATOM 0 HD11 LEU A 41 8.960 -0.006 -9.326 1.00 25.33 H new ATOM 0 HD12 LEU A 41 9.544 1.218 -8.174 1.00 25.33 H new ATOM 0 HD13 LEU A 41 9.955 1.354 -9.900 1.00 25.33 H new ATOM 0 HD21 LEU A 41 10.522 -1.647 -10.302 1.00 50.53 H new ATOM 0 HD22 LEU A 41 11.578 -0.351 -10.913 1.00 50.53 H new ATOM 0 HD23 LEU A 41 12.246 -1.621 -9.862 1.00 50.53 H new ATOM 689 N ASP A 42 14.846 2.041 -7.758 1.00 63.34 N ATOM 690 CA ASP A 42 15.844 3.100 -7.857 1.00 0.11 C ATOM 691 C ASP A 42 17.163 2.556 -8.399 1.00 32.35 C ATOM 692 O ASP A 42 17.825 3.201 -9.210 1.00 45.45 O ATOM 693 CB ASP A 42 16.069 3.747 -6.490 1.00 3.31 C ATOM 694 CG ASP A 42 15.925 5.255 -6.533 1.00 4.31 C ATOM 695 OD1 ASP A 42 14.822 5.736 -6.866 1.00 53.45 O ATOM 696 OD2 ASP A 42 16.915 5.956 -6.234 1.00 22.23 O ATOM 0 H ASP A 42 14.302 2.053 -6.895 1.00 63.34 H new ATOM 0 HA ASP A 42 15.470 3.853 -8.550 1.00 0.11 H new ATOM 0 HB2 ASP A 42 15.355 3.337 -5.775 1.00 3.31 H new ATOM 0 HB3 ASP A 42 17.065 3.490 -6.129 1.00 3.31 H new ATOM 701 N ARG A 43 17.537 1.364 -7.944 1.00 34.33 N ATOM 702 CA ARG A 43 18.777 0.734 -8.381 1.00 71.22 C ATOM 703 C ARG A 43 18.577 0.001 -9.704 1.00 33.31 C ATOM 704 O ARG A 43 19.431 0.050 -10.589 1.00 1.34 O ATOM 705 CB ARG A 43 19.281 -0.241 -7.315 1.00 64.14 C ATOM 706 CG ARG A 43 20.796 -0.286 -7.199 1.00 55.44 C ATOM 707 CD ARG A 43 21.270 -1.606 -6.613 1.00 44.24 C ATOM 708 NE ARG A 43 20.953 -2.736 -7.482 1.00 41.03 N ATOM 709 CZ ARG A 43 21.556 -3.917 -7.401 1.00 32.22 C ATOM 710 NH1 ARG A 43 22.501 -4.122 -6.494 1.00 50.31 N ATOM 711 NH2 ARG A 43 21.212 -4.897 -8.227 1.00 13.01 N ATOM 0 H ARG A 43 16.999 0.816 -7.273 1.00 34.33 H new ATOM 0 HA ARG A 43 19.521 1.516 -8.529 1.00 71.22 H new ATOM 0 HB2 ARG A 43 18.859 0.039 -6.350 1.00 64.14 H new ATOM 0 HB3 ARG A 43 18.913 -1.241 -7.546 1.00 64.14 H new ATOM 0 HG2 ARG A 43 21.242 -0.142 -8.183 1.00 55.44 H new ATOM 0 HG3 ARG A 43 21.139 0.536 -6.571 1.00 55.44 H new ATOM 0 HD2 ARG A 43 22.347 -1.565 -6.451 1.00 44.24 H new ATOM 0 HD3 ARG A 43 20.806 -1.757 -5.638 1.00 44.24 H new ATOM 0 HE ARG A 43 20.229 -2.612 -8.190 1.00 41.03 H new ATOM 0 HH11 ARG A 43 22.767 -3.372 -5.856 1.00 50.31 H new ATOM 0 HH12 ARG A 43 22.962 -5.030 -6.434 1.00 50.31 H new ATOM 0 HH21 ARG A 43 20.484 -4.744 -8.925 1.00 13.01 H new ATOM 0 HH22 ARG A 43 21.676 -5.803 -8.164 1.00 13.01 H new ATOM 725 N PHE A 44 17.442 -0.680 -9.831 1.00 64.24 N ATOM 726 CA PHE A 44 17.131 -1.426 -11.046 1.00 2.24 C ATOM 727 C PHE A 44 17.143 -0.509 -12.265 1.00 1.31 C ATOM 728 O PHE A 44 17.839 -0.769 -13.246 1.00 22.04 O ATOM 729 CB PHE A 44 15.765 -2.103 -10.917 1.00 61.13 C ATOM 730 CG PHE A 44 15.850 -3.554 -10.537 1.00 61.42 C ATOM 731 CD1 PHE A 44 16.607 -4.438 -11.290 1.00 32.41 C ATOM 732 CD2 PHE A 44 15.172 -4.034 -9.427 1.00 62.55 C ATOM 733 CE1 PHE A 44 16.685 -5.774 -10.943 1.00 42.23 C ATOM 734 CE2 PHE A 44 15.247 -5.368 -9.075 1.00 64.35 C ATOM 735 CZ PHE A 44 16.005 -6.239 -9.834 1.00 24.55 C ATOM 0 H PHE A 44 16.723 -0.731 -9.109 1.00 64.24 H new ATOM 0 HA PHE A 44 17.897 -2.190 -11.180 1.00 2.24 H new ATOM 0 HB2 PHE A 44 15.175 -1.573 -10.169 1.00 61.13 H new ATOM 0 HB3 PHE A 44 15.233 -2.014 -11.864 1.00 61.13 H new ATOM 0 HD1 PHE A 44 17.142 -4.079 -12.157 1.00 32.41 H new ATOM 0 HD2 PHE A 44 14.578 -3.357 -8.830 1.00 62.55 H new ATOM 0 HE1 PHE A 44 17.277 -6.453 -11.538 1.00 42.23 H new ATOM 0 HE2 PHE A 44 14.714 -5.729 -8.208 1.00 64.35 H new ATOM 0 HZ PHE A 44 16.066 -7.282 -9.561 1.00 24.55 H new ATOM 745 N GLY A 45 16.366 0.568 -12.197 1.00 22.23 N ATOM 746 CA GLY A 45 16.300 1.508 -13.301 1.00 4.11 C ATOM 747 C GLY A 45 15.078 2.401 -13.229 1.00 40.14 C ATOM 748 O GLY A 45 15.039 3.462 -13.855 1.00 55.33 O ATOM 0 H GLY A 45 15.781 0.806 -11.396 1.00 22.23 H new ATOM 0 HA2 GLY A 45 17.198 2.126 -13.302 1.00 4.11 H new ATOM 0 HA3 GLY A 45 16.290 0.958 -14.242 1.00 4.11 H new ATOM 752 N LEU A 46 14.078 1.974 -12.468 1.00 72.51 N ATOM 753 CA LEU A 46 12.846 2.742 -12.319 1.00 63.54 C ATOM 754 C LEU A 46 12.987 3.786 -11.216 1.00 15.01 C ATOM 755 O LEU A 46 13.673 3.563 -10.220 1.00 41.34 O ATOM 756 CB LEU A 46 11.675 1.809 -12.008 1.00 51.31 C ATOM 757 CG LEU A 46 11.397 0.714 -13.038 1.00 21.11 C ATOM 758 CD1 LEU A 46 9.971 0.202 -12.902 1.00 4.24 C ATOM 759 CD2 LEU A 46 11.648 1.231 -14.447 1.00 31.23 C ATOM 0 H LEU A 46 14.095 1.099 -11.944 1.00 72.51 H new ATOM 0 HA LEU A 46 12.651 3.257 -13.259 1.00 63.54 H new ATOM 0 HB2 LEU A 46 11.861 1.335 -11.044 1.00 51.31 H new ATOM 0 HB3 LEU A 46 10.775 2.413 -11.898 1.00 51.31 H new ATOM 0 HG LEU A 46 12.078 -0.116 -12.850 1.00 21.11 H new ATOM 0 HD11 LEU A 46 9.792 -0.577 -13.643 1.00 4.24 H new ATOM 0 HD12 LEU A 46 9.825 -0.208 -11.903 1.00 4.24 H new ATOM 0 HD13 LEU A 46 9.273 1.023 -13.063 1.00 4.24 H new ATOM 0 HD21 LEU A 46 11.445 0.438 -15.167 1.00 31.23 H new ATOM 0 HD22 LEU A 46 10.992 2.078 -14.646 1.00 31.23 H new ATOM 0 HD23 LEU A 46 12.687 1.547 -14.539 1.00 31.23 H new ATOM 771 N ALA A 47 12.329 4.926 -11.401 1.00 50.23 N ATOM 772 CA ALA A 47 12.378 6.004 -10.421 1.00 35.34 C ATOM 773 C ALA A 47 11.064 6.105 -9.652 1.00 11.21 C ATOM 774 O ALA A 47 10.649 7.193 -9.256 1.00 1.35 O ATOM 775 CB ALA A 47 12.694 7.325 -11.103 1.00 3.10 C ATOM 0 H ALA A 47 11.756 5.127 -12.221 1.00 50.23 H new ATOM 0 HA ALA A 47 13.171 5.778 -9.708 1.00 35.34 H new ATOM 0 HB1 ALA A 47 12.727 8.120 -10.358 1.00 3.10 H new ATOM 0 HB2 ALA A 47 13.660 7.255 -11.602 1.00 3.10 H new ATOM 0 HB3 ALA A 47 11.921 7.549 -11.838 1.00 3.10 H new ATOM 781 N GLU A 48 10.414 4.964 -9.446 1.00 62.52 N ATOM 782 CA GLU A 48 9.146 4.926 -8.726 1.00 4.21 C ATOM 783 C GLU A 48 8.116 5.834 -9.391 1.00 63.31 C ATOM 784 O GLU A 48 7.005 6.002 -8.889 1.00 3.04 O ATOM 785 CB GLU A 48 9.349 5.347 -7.270 1.00 4.45 C ATOM 786 CG GLU A 48 9.245 6.847 -7.050 1.00 43.42 C ATOM 787 CD GLU A 48 8.530 7.201 -5.761 1.00 32.20 C ATOM 788 OE1 GLU A 48 8.938 6.692 -4.697 1.00 3.24 O ATOM 789 OE2 GLU A 48 7.560 7.985 -5.817 1.00 42.42 O ATOM 0 H GLU A 48 10.744 4.054 -9.767 1.00 62.52 H new ATOM 0 HA GLU A 48 8.773 3.902 -8.752 1.00 4.21 H new ATOM 0 HB2 GLU A 48 8.607 4.845 -6.649 1.00 4.45 H new ATOM 0 HB3 GLU A 48 10.329 5.006 -6.935 1.00 4.45 H new ATOM 0 HG2 GLU A 48 10.246 7.278 -7.036 1.00 43.42 H new ATOM 0 HG3 GLU A 48 8.716 7.297 -7.890 1.00 43.42 H new ATOM 796 N SER A 49 8.493 6.416 -10.525 1.00 11.05 N ATOM 797 CA SER A 49 7.604 7.310 -11.258 1.00 3.33 C ATOM 798 C SER A 49 6.278 6.623 -11.570 1.00 65.20 C ATOM 799 O SER A 49 5.270 7.281 -11.828 1.00 32.01 O ATOM 800 CB SER A 49 8.269 7.774 -12.555 1.00 73.03 C ATOM 801 OG SER A 49 8.249 9.187 -12.661 1.00 51.23 O ATOM 0 H SER A 49 9.408 6.285 -10.956 1.00 11.05 H new ATOM 0 HA SER A 49 7.404 8.178 -10.630 1.00 3.33 H new ATOM 0 HB2 SER A 49 9.299 7.418 -12.587 1.00 73.03 H new ATOM 0 HB3 SER A 49 7.754 7.335 -13.409 1.00 73.03 H new ATOM 0 HG SER A 49 8.681 9.458 -13.498 1.00 51.23 H new ATOM 807 N LEU A 50 6.288 5.294 -11.544 1.00 13.14 N ATOM 808 CA LEU A 50 5.087 4.515 -11.823 1.00 51.20 C ATOM 809 C LEU A 50 4.597 3.799 -10.569 1.00 11.35 C ATOM 810 O LEU A 50 3.415 3.858 -10.228 1.00 13.24 O ATOM 811 CB LEU A 50 5.362 3.497 -12.930 1.00 31.53 C ATOM 812 CG LEU A 50 6.141 4.014 -14.140 1.00 3.12 C ATOM 813 CD1 LEU A 50 7.315 3.099 -14.450 1.00 44.21 C ATOM 814 CD2 LEU A 50 5.226 4.139 -15.349 1.00 41.43 C ATOM 0 H LEU A 50 7.114 4.734 -11.333 1.00 13.14 H new ATOM 0 HA LEU A 50 4.308 5.202 -12.154 1.00 51.20 H new ATOM 0 HB2 LEU A 50 5.913 2.661 -12.499 1.00 31.53 H new ATOM 0 HB3 LEU A 50 4.407 3.103 -13.279 1.00 31.53 H new ATOM 0 HG LEU A 50 6.532 5.003 -13.901 1.00 3.12 H new ATOM 0 HD11 LEU A 50 7.857 3.483 -15.314 1.00 44.21 H new ATOM 0 HD12 LEU A 50 7.983 3.060 -13.590 1.00 44.21 H new ATOM 0 HD13 LEU A 50 6.947 2.097 -14.669 1.00 44.21 H new ATOM 0 HD21 LEU A 50 5.797 4.508 -16.201 1.00 41.43 H new ATOM 0 HD22 LEU A 50 4.806 3.163 -15.590 1.00 41.43 H new ATOM 0 HD23 LEU A 50 4.419 4.836 -15.124 1.00 41.43 H new ATOM 826 N LEU A 51 5.514 3.125 -9.882 1.00 51.43 N ATOM 827 CA LEU A 51 5.177 2.400 -8.663 1.00 32.35 C ATOM 828 C LEU A 51 4.230 3.215 -7.788 1.00 51.42 C ATOM 829 O LEU A 51 3.313 2.671 -7.175 1.00 31.21 O ATOM 830 CB LEU A 51 6.446 2.059 -7.880 1.00 51.41 C ATOM 831 CG LEU A 51 6.708 0.573 -7.639 1.00 71.35 C ATOM 832 CD1 LEU A 51 7.851 0.385 -6.653 1.00 72.24 C ATOM 833 CD2 LEU A 51 5.448 -0.116 -7.136 1.00 24.13 C ATOM 0 H LEU A 51 6.497 3.066 -10.149 1.00 51.43 H new ATOM 0 HA LEU A 51 4.674 1.476 -8.948 1.00 32.35 H new ATOM 0 HB2 LEU A 51 7.300 2.476 -8.413 1.00 51.41 H new ATOM 0 HB3 LEU A 51 6.398 2.560 -6.913 1.00 51.41 H new ATOM 0 HG LEU A 51 6.994 0.116 -8.586 1.00 71.35 H new ATOM 0 HD11 LEU A 51 8.023 -0.680 -6.494 1.00 72.24 H new ATOM 0 HD12 LEU A 51 8.756 0.843 -7.053 1.00 72.24 H new ATOM 0 HD13 LEU A 51 7.595 0.857 -5.704 1.00 72.24 H new ATOM 0 HD21 LEU A 51 5.653 -1.174 -6.970 1.00 24.13 H new ATOM 0 HD22 LEU A 51 5.131 0.344 -6.200 1.00 24.13 H new ATOM 0 HD23 LEU A 51 4.656 -0.012 -7.878 1.00 24.13 H new ATOM 845 N GLU A 52 4.459 4.524 -7.737 1.00 0.24 N ATOM 846 CA GLU A 52 3.625 5.414 -6.938 1.00 21.12 C ATOM 847 C GLU A 52 2.490 5.996 -7.777 1.00 42.14 C ATOM 848 O GLU A 52 2.066 7.132 -7.565 1.00 11.13 O ATOM 849 CB GLU A 52 4.468 6.545 -6.346 1.00 44.43 C ATOM 850 CG GLU A 52 4.956 7.546 -7.381 1.00 64.35 C ATOM 851 CD GLU A 52 4.615 8.977 -7.015 1.00 53.02 C ATOM 852 OE1 GLU A 52 3.421 9.260 -6.779 1.00 22.13 O ATOM 853 OE2 GLU A 52 5.540 9.814 -6.965 1.00 40.34 O ATOM 0 H GLU A 52 5.214 4.991 -8.239 1.00 0.24 H new ATOM 0 HA GLU A 52 3.191 4.831 -6.126 1.00 21.12 H new ATOM 0 HB2 GLU A 52 3.879 7.070 -5.594 1.00 44.43 H new ATOM 0 HB3 GLU A 52 5.329 6.115 -5.834 1.00 44.43 H new ATOM 0 HG2 GLU A 52 6.036 7.451 -7.492 1.00 64.35 H new ATOM 0 HG3 GLU A 52 4.514 7.307 -8.348 1.00 64.35 H new ATOM 860 N SER A 53 2.005 5.209 -8.732 1.00 32.23 N ATOM 861 CA SER A 53 0.923 5.646 -9.607 1.00 41.20 C ATOM 862 C SER A 53 0.122 4.453 -10.118 1.00 65.15 C ATOM 863 O SER A 53 0.675 3.384 -10.377 1.00 25.51 O ATOM 864 CB SER A 53 1.483 6.444 -10.786 1.00 25.51 C ATOM 865 OG SER A 53 1.289 5.751 -12.007 1.00 74.42 O ATOM 0 H SER A 53 2.344 4.265 -8.920 1.00 32.23 H new ATOM 0 HA SER A 53 0.257 6.286 -9.029 1.00 41.20 H new ATOM 0 HB2 SER A 53 0.995 7.418 -10.835 1.00 25.51 H new ATOM 0 HB3 SER A 53 2.546 6.628 -10.633 1.00 25.51 H new ATOM 0 HG SER A 53 1.506 6.343 -12.757 1.00 74.42 H new ATOM 871 N LYS A 54 -1.184 4.644 -10.263 1.00 53.55 N ATOM 872 CA LYS A 54 -2.064 3.586 -10.746 1.00 32.42 C ATOM 873 C LYS A 54 -1.790 3.279 -12.215 1.00 34.52 C ATOM 874 O LYS A 54 -1.254 2.223 -12.547 1.00 21.11 O ATOM 875 CB LYS A 54 -3.528 3.989 -10.562 1.00 34.21 C ATOM 876 CG LYS A 54 -4.507 2.849 -10.791 1.00 43.03 C ATOM 877 CD LYS A 54 -5.693 3.293 -11.631 1.00 61.22 C ATOM 878 CE LYS A 54 -6.159 2.186 -12.565 1.00 54.14 C ATOM 879 NZ LYS A 54 -6.710 2.731 -13.836 1.00 74.12 N ATOM 0 H LYS A 54 -1.658 5.523 -10.053 1.00 53.55 H new ATOM 0 HA LYS A 54 -1.865 2.687 -10.162 1.00 32.42 H new ATOM 0 HB2 LYS A 54 -3.665 4.377 -9.553 1.00 34.21 H new ATOM 0 HB3 LYS A 54 -3.762 4.801 -11.250 1.00 34.21 H new ATOM 0 HG2 LYS A 54 -3.996 2.024 -11.288 1.00 43.03 H new ATOM 0 HG3 LYS A 54 -4.860 2.473 -9.831 1.00 43.03 H new ATOM 0 HD2 LYS A 54 -6.513 3.588 -10.977 1.00 61.22 H new ATOM 0 HD3 LYS A 54 -5.418 4.172 -12.215 1.00 61.22 H new ATOM 0 HE2 LYS A 54 -5.324 1.521 -12.786 1.00 54.14 H new ATOM 0 HE3 LYS A 54 -6.920 1.586 -12.066 1.00 54.14 H new ATOM 0 HZ1 LYS A 54 -7.017 1.947 -14.446 1.00 74.12 H new ATOM 0 HZ2 LYS A 54 -7.523 3.345 -13.627 1.00 74.12 H new ATOM 0 HZ3 LYS A 54 -5.976 3.283 -14.324 1.00 74.12 H new ATOM 893 N GLU A 55 -2.163 4.209 -13.089 1.00 14.23 N ATOM 894 CA GLU A 55 -1.957 4.036 -14.521 1.00 63.54 C ATOM 895 C GLU A 55 -0.515 3.635 -14.819 1.00 62.32 C ATOM 896 O GLU A 55 -0.251 2.860 -15.738 1.00 53.31 O ATOM 897 CB GLU A 55 -2.303 5.325 -15.268 1.00 54.12 C ATOM 898 CG GLU A 55 -3.631 5.265 -16.004 1.00 1.31 C ATOM 899 CD GLU A 55 -3.958 6.559 -16.725 1.00 33.25 C ATOM 900 OE1 GLU A 55 -3.441 7.616 -16.310 1.00 15.45 O ATOM 901 OE2 GLU A 55 -4.732 6.512 -17.703 1.00 52.23 O ATOM 0 H GLU A 55 -2.609 5.089 -12.830 1.00 14.23 H new ATOM 0 HA GLU A 55 -2.616 3.238 -14.863 1.00 63.54 H new ATOM 0 HB2 GLU A 55 -2.328 6.151 -14.557 1.00 54.12 H new ATOM 0 HB3 GLU A 55 -1.510 5.544 -15.983 1.00 54.12 H new ATOM 0 HG2 GLU A 55 -3.606 4.448 -16.725 1.00 1.31 H new ATOM 0 HG3 GLU A 55 -4.426 5.039 -15.293 1.00 1.31 H new ATOM 908 N GLY A 56 0.416 4.168 -14.033 1.00 44.25 N ATOM 909 CA GLY A 56 1.820 3.855 -14.229 1.00 51.14 C ATOM 910 C GLY A 56 2.156 2.430 -13.835 1.00 1.25 C ATOM 911 O GLY A 56 2.993 1.785 -14.468 1.00 3.25 O ATOM 0 H GLY A 56 0.223 4.810 -13.265 1.00 44.25 H new ATOM 0 HA2 GLY A 56 2.081 4.011 -15.276 1.00 51.14 H new ATOM 0 HA3 GLY A 56 2.428 4.544 -13.643 1.00 51.14 H new ATOM 915 N CYS A 57 1.505 1.939 -12.786 1.00 42.42 N ATOM 916 CA CYS A 57 1.741 0.582 -12.307 1.00 11.55 C ATOM 917 C CYS A 57 1.562 -0.432 -13.433 1.00 4.34 C ATOM 918 O CYS A 57 2.148 -1.514 -13.404 1.00 43.24 O ATOM 919 CB CYS A 57 0.792 0.254 -11.153 1.00 61.14 C ATOM 920 SG CYS A 57 1.604 0.125 -9.543 1.00 3.05 S ATOM 0 H CYS A 57 0.810 2.460 -12.251 1.00 42.42 H new ATOM 0 HA CYS A 57 2.769 0.523 -11.950 1.00 11.55 H new ATOM 0 HB2 CYS A 57 0.023 1.024 -11.099 1.00 61.14 H new ATOM 0 HB3 CYS A 57 0.286 -0.687 -11.369 1.00 61.14 H new ATOM 0 HG CYS A 57 1.685 1.304 -9.002 1.00 3.05 H new ATOM 926 N GLN A 58 0.749 -0.074 -14.420 1.00 11.31 N ATOM 927 CA GLN A 58 0.491 -0.953 -15.554 1.00 21.02 C ATOM 928 C GLN A 58 1.724 -1.071 -16.443 1.00 0.41 C ATOM 929 O GLN A 58 1.917 -2.076 -17.127 1.00 54.00 O ATOM 930 CB GLN A 58 -0.693 -0.435 -16.371 1.00 15.20 C ATOM 931 CG GLN A 58 -1.640 -1.531 -16.834 1.00 44.43 C ATOM 932 CD GLN A 58 -3.026 -1.396 -16.237 1.00 13.15 C ATOM 933 OE1 GLN A 58 -3.821 -0.558 -16.665 1.00 31.13 O ATOM 934 NE2 GLN A 58 -3.325 -2.223 -15.242 1.00 71.01 N ATOM 0 H GLN A 58 0.257 0.819 -14.458 1.00 11.31 H new ATOM 0 HA GLN A 58 0.249 -1.942 -15.165 1.00 21.02 H new ATOM 0 HB2 GLN A 58 -1.250 0.285 -15.772 1.00 15.20 H new ATOM 0 HB3 GLN A 58 -0.316 0.100 -17.243 1.00 15.20 H new ATOM 0 HG2 GLN A 58 -1.713 -1.507 -17.921 1.00 44.43 H new ATOM 0 HG3 GLN A 58 -1.225 -2.502 -16.564 1.00 44.43 H new ATOM 0 HE21 GLN A 58 -2.636 -2.902 -14.919 1.00 71.01 H new ATOM 0 HE22 GLN A 58 -4.244 -2.179 -14.801 1.00 71.01 H new ATOM 943 N LYS A 59 2.559 -0.036 -16.429 1.00 74.13 N ATOM 944 CA LYS A 59 3.774 -0.023 -17.233 1.00 42.20 C ATOM 945 C LYS A 59 4.883 -0.823 -16.558 1.00 33.24 C ATOM 946 O LYS A 59 5.904 -1.129 -17.173 1.00 62.20 O ATOM 947 CB LYS A 59 4.239 1.416 -17.467 1.00 42.43 C ATOM 948 CG LYS A 59 4.122 1.867 -18.912 1.00 50.24 C ATOM 949 CD LYS A 59 3.547 3.269 -19.015 1.00 42.34 C ATOM 950 CE LYS A 59 3.975 3.954 -20.304 1.00 41.14 C ATOM 951 NZ LYS A 59 5.322 4.578 -20.181 1.00 24.53 N ATOM 0 H LYS A 59 2.415 0.804 -15.869 1.00 74.13 H new ATOM 0 HA LYS A 59 3.549 -0.487 -18.193 1.00 42.20 H new ATOM 0 HB2 LYS A 59 3.652 2.085 -16.838 1.00 42.43 H new ATOM 0 HB3 LYS A 59 5.277 1.509 -17.149 1.00 42.43 H new ATOM 0 HG2 LYS A 59 5.105 1.841 -19.383 1.00 50.24 H new ATOM 0 HG3 LYS A 59 3.487 1.171 -19.461 1.00 50.24 H new ATOM 0 HD2 LYS A 59 2.459 3.221 -18.971 1.00 42.34 H new ATOM 0 HD3 LYS A 59 3.875 3.861 -18.161 1.00 42.34 H new ATOM 0 HE2 LYS A 59 3.985 3.227 -21.116 1.00 41.14 H new ATOM 0 HE3 LYS A 59 3.244 4.718 -20.569 1.00 41.14 H new ATOM 0 HZ1 LYS A 59 5.577 5.034 -21.080 1.00 24.53 H new ATOM 0 HZ2 LYS A 59 5.307 5.290 -19.424 1.00 24.53 H new ATOM 0 HZ3 LYS A 59 6.024 3.846 -19.953 1.00 24.53 H new ATOM 965 N ILE A 60 4.674 -1.159 -15.289 1.00 1.12 N ATOM 966 CA ILE A 60 5.655 -1.926 -14.531 1.00 73.10 C ATOM 967 C ILE A 60 5.419 -3.425 -14.685 1.00 62.11 C ATOM 968 O ILE A 60 6.340 -4.180 -15.001 1.00 52.43 O ATOM 969 CB ILE A 60 5.619 -1.564 -13.035 1.00 1.03 C ATOM 970 CG1 ILE A 60 5.626 -0.044 -12.855 1.00 65.24 C ATOM 971 CG2 ILE A 60 6.798 -2.194 -12.308 1.00 63.25 C ATOM 972 CD1 ILE A 60 5.513 0.394 -11.412 1.00 44.43 C ATOM 0 H ILE A 60 3.835 -0.912 -14.765 1.00 1.12 H new ATOM 0 HA ILE A 60 6.635 -1.671 -14.935 1.00 73.10 H new ATOM 0 HB ILE A 60 4.699 -1.958 -12.604 1.00 1.03 H new ATOM 0 HG12 ILE A 60 6.546 0.360 -13.278 1.00 65.24 H new ATOM 0 HG13 ILE A 60 4.800 0.385 -13.422 1.00 65.24 H new ATOM 0 HG21 ILE A 60 6.758 -1.929 -11.252 1.00 63.25 H new ATOM 0 HG22 ILE A 60 6.752 -3.278 -12.412 1.00 63.25 H new ATOM 0 HG23 ILE A 60 7.729 -1.827 -12.739 1.00 63.25 H new ATOM 0 HD11 ILE A 60 5.524 1.483 -11.360 1.00 44.43 H new ATOM 0 HD12 ILE A 60 4.580 0.020 -10.990 1.00 44.43 H new ATOM 0 HD13 ILE A 60 6.353 -0.005 -10.844 1.00 44.43 H new ATOM 984 N LEU A 61 4.181 -3.849 -14.462 1.00 71.12 N ATOM 985 CA LEU A 61 3.823 -5.259 -14.579 1.00 14.41 C ATOM 986 C LEU A 61 4.113 -5.781 -15.981 1.00 42.43 C ATOM 987 O LEU A 61 4.395 -6.965 -16.170 1.00 2.50 O ATOM 988 CB LEU A 61 2.343 -5.459 -14.245 1.00 1.43 C ATOM 989 CG LEU A 61 1.892 -4.963 -12.870 1.00 33.43 C ATOM 990 CD1 LEU A 61 0.406 -4.643 -12.879 1.00 51.42 C ATOM 991 CD2 LEU A 61 2.210 -5.998 -11.801 1.00 33.14 C ATOM 0 H LEU A 61 3.408 -3.238 -14.199 1.00 71.12 H new ATOM 0 HA LEU A 61 4.430 -5.822 -13.869 1.00 14.41 H new ATOM 0 HB2 LEU A 61 1.748 -4.952 -15.005 1.00 1.43 H new ATOM 0 HB3 LEU A 61 2.115 -6.522 -14.318 1.00 1.43 H new ATOM 0 HG LEU A 61 2.438 -4.049 -12.637 1.00 33.43 H new ATOM 0 HD11 LEU A 61 0.103 -4.292 -11.892 1.00 51.42 H new ATOM 0 HD12 LEU A 61 0.205 -3.867 -13.618 1.00 51.42 H new ATOM 0 HD13 LEU A 61 -0.158 -5.540 -13.133 1.00 51.42 H new ATOM 0 HD21 LEU A 61 1.883 -5.629 -10.829 1.00 33.14 H new ATOM 0 HD22 LEU A 61 1.691 -6.929 -12.030 1.00 33.14 H new ATOM 0 HD23 LEU A 61 3.285 -6.178 -11.778 1.00 33.14 H new ATOM 1003 N THR A 62 4.046 -4.889 -16.965 1.00 43.03 N ATOM 1004 CA THR A 62 4.303 -5.259 -18.352 1.00 1.32 C ATOM 1005 C THR A 62 5.762 -5.651 -18.554 1.00 44.14 C ATOM 1006 O THR A 62 6.085 -6.450 -19.433 1.00 24.33 O ATOM 1007 CB THR A 62 3.954 -4.108 -19.314 1.00 61.14 C ATOM 1008 OG1 THR A 62 3.822 -4.609 -20.649 1.00 5.04 O ATOM 1009 CG2 THR A 62 5.023 -3.027 -19.276 1.00 61.03 C ATOM 0 H THR A 62 3.816 -3.905 -16.827 1.00 43.03 H new ATOM 0 HA THR A 62 3.665 -6.114 -18.575 1.00 1.32 H new ATOM 0 HB THR A 62 3.008 -3.671 -18.995 1.00 61.14 H new ATOM 0 HG1 THR A 62 3.599 -3.872 -21.255 1.00 5.04 H new ATOM 0 HG21 THR A 62 4.754 -2.225 -19.964 1.00 61.03 H new ATOM 0 HG22 THR A 62 5.100 -2.627 -18.265 1.00 61.03 H new ATOM 0 HG23 THR A 62 5.982 -3.453 -19.572 1.00 61.03 H new ATOM 1017 N VAL A 63 6.642 -5.082 -17.735 1.00 43.20 N ATOM 1018 CA VAL A 63 8.068 -5.373 -17.824 1.00 23.22 C ATOM 1019 C VAL A 63 8.438 -6.578 -16.964 1.00 75.14 C ATOM 1020 O VAL A 63 9.222 -7.432 -17.377 1.00 70.04 O ATOM 1021 CB VAL A 63 8.916 -4.165 -17.385 1.00 12.51 C ATOM 1022 CG1 VAL A 63 10.395 -4.521 -17.389 1.00 3.31 C ATOM 1023 CG2 VAL A 63 8.644 -2.969 -18.286 1.00 25.21 C ATOM 0 H VAL A 63 6.392 -4.417 -17.003 1.00 43.20 H new ATOM 0 HA VAL A 63 8.280 -5.596 -18.870 1.00 23.22 H new ATOM 0 HB VAL A 63 8.635 -3.896 -16.367 1.00 12.51 H new ATOM 0 HG11 VAL A 63 10.979 -3.655 -17.076 1.00 3.31 H new ATOM 0 HG12 VAL A 63 10.572 -5.346 -16.700 1.00 3.31 H new ATOM 0 HG13 VAL A 63 10.695 -4.817 -18.394 1.00 3.31 H new ATOM 0 HG21 VAL A 63 9.251 -2.124 -17.962 1.00 25.21 H new ATOM 0 HG22 VAL A 63 8.897 -3.224 -19.315 1.00 25.21 H new ATOM 0 HG23 VAL A 63 7.589 -2.701 -18.227 1.00 25.21 H new ATOM 1033 N LEU A 64 7.866 -6.640 -15.767 1.00 12.31 N ATOM 1034 CA LEU A 64 8.134 -7.741 -14.848 1.00 11.05 C ATOM 1035 C LEU A 64 7.425 -9.013 -15.300 1.00 70.31 C ATOM 1036 O LEU A 64 7.812 -10.119 -14.922 1.00 52.31 O ATOM 1037 CB LEU A 64 7.687 -7.370 -13.432 1.00 43.23 C ATOM 1038 CG LEU A 64 8.549 -6.336 -12.705 1.00 25.31 C ATOM 1039 CD1 LEU A 64 7.753 -5.659 -11.601 1.00 20.31 C ATOM 1040 CD2 LEU A 64 9.801 -6.990 -12.138 1.00 54.02 C ATOM 0 H LEU A 64 7.214 -5.942 -15.410 1.00 12.31 H new ATOM 0 HA LEU A 64 9.208 -7.927 -14.847 1.00 11.05 H new ATOM 0 HB2 LEU A 64 6.666 -6.992 -13.482 1.00 43.23 H new ATOM 0 HB3 LEU A 64 7.661 -8.279 -12.831 1.00 43.23 H new ATOM 0 HG LEU A 64 8.854 -5.575 -13.424 1.00 25.31 H new ATOM 0 HD11 LEU A 64 8.382 -4.927 -11.095 1.00 20.31 H new ATOM 0 HD12 LEU A 64 6.887 -5.157 -12.032 1.00 20.31 H new ATOM 0 HD13 LEU A 64 7.418 -6.407 -10.883 1.00 20.31 H new ATOM 0 HD21 LEU A 64 10.402 -6.240 -11.624 1.00 54.02 H new ATOM 0 HD22 LEU A 64 9.516 -7.771 -11.434 1.00 54.02 H new ATOM 0 HD23 LEU A 64 10.382 -7.428 -12.950 1.00 54.02 H new ATOM 1052 N ASP A 65 6.387 -8.848 -16.112 1.00 51.22 N ATOM 1053 CA ASP A 65 5.625 -9.984 -16.619 1.00 3.50 C ATOM 1054 C ASP A 65 6.546 -11.000 -17.290 1.00 55.21 C ATOM 1055 O ASP A 65 6.652 -12.150 -16.867 1.00 31.42 O ATOM 1056 CB ASP A 65 4.560 -9.509 -17.609 1.00 64.24 C ATOM 1057 CG ASP A 65 3.157 -9.619 -17.047 1.00 52.10 C ATOM 1058 OD1 ASP A 65 2.986 -9.393 -15.831 1.00 64.02 O ATOM 1059 OD2 ASP A 65 2.229 -9.930 -17.823 1.00 52.14 O ATOM 0 H ASP A 65 6.054 -7.939 -16.433 1.00 51.22 H new ATOM 0 HA ASP A 65 5.134 -10.468 -15.775 1.00 3.50 H new ATOM 0 HB2 ASP A 65 4.759 -8.473 -17.882 1.00 64.24 H new ATOM 0 HB3 ASP A 65 4.629 -10.099 -18.523 1.00 64.24 H new ATOM 1064 N PRO A 66 7.225 -10.565 -18.361 1.00 11.30 N ATOM 1065 CA PRO A 66 8.148 -11.421 -19.113 1.00 10.34 C ATOM 1066 C PRO A 66 9.409 -11.749 -18.323 1.00 4.03 C ATOM 1067 O PRO A 66 10.215 -12.582 -18.738 1.00 1.11 O ATOM 1068 CB PRO A 66 8.491 -10.577 -20.343 1.00 43.42 C ATOM 1069 CG PRO A 66 8.281 -9.168 -19.906 1.00 45.35 C ATOM 1070 CD PRO A 66 7.147 -9.205 -18.920 1.00 72.14 C ATOM 0 HA PRO A 66 7.704 -12.387 -19.352 1.00 10.34 H new ATOM 0 HB2 PRO A 66 9.520 -10.743 -20.663 1.00 43.42 H new ATOM 0 HB3 PRO A 66 7.850 -10.829 -21.188 1.00 43.42 H new ATOM 0 HG2 PRO A 66 9.183 -8.763 -19.448 1.00 45.35 H new ATOM 0 HG3 PRO A 66 8.039 -8.528 -20.755 1.00 45.35 H new ATOM 0 HD2 PRO A 66 7.262 -8.446 -18.147 1.00 72.14 H new ATOM 0 HD3 PRO A 66 6.187 -9.024 -19.404 1.00 72.14 H new ATOM 1078 N MET A 67 9.576 -11.089 -17.180 1.00 53.54 N ATOM 1079 CA MET A 67 10.740 -11.312 -16.331 1.00 11.40 C ATOM 1080 C MET A 67 10.470 -12.422 -15.320 1.00 51.12 C ATOM 1081 O MET A 67 11.395 -12.958 -14.710 1.00 4.25 O ATOM 1082 CB MET A 67 11.120 -10.023 -15.601 1.00 51.23 C ATOM 1083 CG MET A 67 11.569 -8.908 -16.531 1.00 15.54 C ATOM 1084 SD MET A 67 13.317 -9.018 -16.957 1.00 24.33 S ATOM 1085 CE MET A 67 13.679 -7.310 -17.355 1.00 73.11 C ATOM 0 H MET A 67 8.919 -10.396 -16.821 1.00 53.54 H new ATOM 0 HA MET A 67 11.570 -11.618 -16.968 1.00 11.40 H new ATOM 0 HB2 MET A 67 10.264 -9.678 -15.020 1.00 51.23 H new ATOM 0 HB3 MET A 67 11.920 -10.239 -14.893 1.00 51.23 H new ATOM 0 HG2 MET A 67 10.974 -8.940 -17.444 1.00 15.54 H new ATOM 0 HG3 MET A 67 11.375 -7.946 -16.058 1.00 15.54 H new ATOM 0 HE1 MET A 67 14.727 -7.217 -17.639 1.00 73.11 H new ATOM 0 HE2 MET A 67 13.049 -6.988 -18.184 1.00 73.11 H new ATOM 0 HE3 MET A 67 13.482 -6.684 -16.485 1.00 73.11 H new ATOM 1095 N VAL A 68 9.196 -12.763 -15.148 1.00 44.32 N ATOM 1096 CA VAL A 68 8.806 -13.810 -14.211 1.00 71.23 C ATOM 1097 C VAL A 68 9.258 -15.182 -14.701 1.00 1.22 C ATOM 1098 O VAL A 68 10.011 -15.889 -14.031 1.00 11.11 O ATOM 1099 CB VAL A 68 7.280 -13.831 -13.998 1.00 41.13 C ATOM 1100 CG1 VAL A 68 6.809 -15.233 -13.642 1.00 4.11 C ATOM 1101 CG2 VAL A 68 6.880 -12.835 -12.920 1.00 45.12 C ATOM 0 H VAL A 68 8.418 -12.330 -15.645 1.00 44.32 H new ATOM 0 HA VAL A 68 9.296 -13.586 -13.263 1.00 71.23 H new ATOM 0 HB VAL A 68 6.796 -13.538 -14.930 1.00 41.13 H new ATOM 0 HG11 VAL A 68 5.729 -15.228 -13.495 1.00 4.11 H new ATOM 0 HG12 VAL A 68 7.062 -15.918 -14.451 1.00 4.11 H new ATOM 0 HG13 VAL A 68 7.298 -15.559 -12.724 1.00 4.11 H new ATOM 0 HG21 VAL A 68 5.799 -12.863 -12.782 1.00 45.12 H new ATOM 0 HG22 VAL A 68 7.372 -13.096 -11.983 1.00 45.12 H new ATOM 0 HG23 VAL A 68 7.182 -11.832 -13.221 1.00 45.12 H new ATOM 1111 N PRO A 69 8.789 -15.568 -15.896 1.00 44.11 N ATOM 1112 CA PRO A 69 9.133 -16.857 -16.502 1.00 74.31 C ATOM 1113 C PRO A 69 10.590 -16.920 -16.945 1.00 4.32 C ATOM 1114 O PRO A 69 11.043 -17.925 -17.493 1.00 32.44 O ATOM 1115 CB PRO A 69 8.202 -16.939 -17.716 1.00 5.31 C ATOM 1116 CG PRO A 69 7.898 -15.520 -18.055 1.00 31.31 C ATOM 1117 CD PRO A 69 7.887 -14.775 -16.749 1.00 32.03 C ATOM 0 HA PRO A 69 9.014 -17.681 -15.799 1.00 74.31 H new ATOM 0 HB2 PRO A 69 8.682 -17.451 -18.550 1.00 5.31 H new ATOM 0 HB3 PRO A 69 7.293 -17.494 -17.482 1.00 5.31 H new ATOM 0 HG2 PRO A 69 8.649 -15.111 -18.731 1.00 31.31 H new ATOM 0 HG3 PRO A 69 6.935 -15.437 -18.560 1.00 31.31 H new ATOM 0 HD2 PRO A 69 8.243 -13.751 -16.867 1.00 32.03 H new ATOM 0 HD3 PRO A 69 6.883 -14.717 -16.328 1.00 32.03 H new ATOM 1125 N THR A 70 11.324 -15.837 -16.704 1.00 70.32 N ATOM 1126 CA THR A 70 12.731 -15.768 -17.078 1.00 45.02 C ATOM 1127 C THR A 70 13.516 -14.895 -16.106 1.00 3.31 C ATOM 1128 O THR A 70 14.356 -14.094 -16.515 1.00 64.24 O ATOM 1129 CB THR A 70 12.908 -15.216 -18.504 1.00 75.24 C ATOM 1130 OG1 THR A 70 11.752 -15.521 -19.294 1.00 52.02 O ATOM 1131 CG2 THR A 70 14.146 -15.802 -19.164 1.00 21.34 C ATOM 0 H THR A 70 10.966 -14.996 -16.251 1.00 70.32 H new ATOM 0 HA THR A 70 13.117 -16.787 -17.041 1.00 45.02 H new ATOM 0 HB THR A 70 13.029 -14.135 -18.437 1.00 75.24 H new ATOM 0 HG1 THR A 70 11.871 -15.165 -20.199 1.00 52.02 H new ATOM 0 HG21 THR A 70 14.248 -15.396 -20.170 1.00 21.34 H new ATOM 0 HG22 THR A 70 15.028 -15.544 -18.577 1.00 21.34 H new ATOM 0 HG23 THR A 70 14.051 -16.886 -19.218 1.00 21.34 H new ATOM 1139 N GLY A 71 13.237 -15.053 -14.816 1.00 43.02 N ATOM 1140 CA GLY A 71 13.926 -14.271 -13.806 1.00 45.13 C ATOM 1141 C GLY A 71 14.067 -15.015 -12.493 1.00 62.21 C ATOM 1142 O GLY A 71 13.630 -16.159 -12.370 1.00 74.40 O ATOM 0 H GLY A 71 12.546 -15.709 -14.452 1.00 43.02 H new ATOM 0 HA2 GLY A 71 14.915 -13.999 -14.174 1.00 45.13 H new ATOM 0 HA3 GLY A 71 13.382 -13.342 -13.637 1.00 45.13 H new ATOM 1146 N SER A 72 14.680 -14.365 -11.509 1.00 32.22 N ATOM 1147 CA SER A 72 14.881 -14.975 -10.199 1.00 53.14 C ATOM 1148 C SER A 72 13.825 -14.495 -9.209 1.00 22.45 C ATOM 1149 O SER A 72 12.916 -13.747 -9.568 1.00 51.31 O ATOM 1150 CB SER A 72 16.279 -14.646 -9.670 1.00 70.22 C ATOM 1151 OG SER A 72 16.302 -13.375 -9.046 1.00 52.12 O ATOM 0 H SER A 72 15.046 -13.417 -11.593 1.00 32.22 H new ATOM 0 HA SER A 72 14.786 -16.055 -10.309 1.00 53.14 H new ATOM 0 HB2 SER A 72 16.591 -15.410 -8.958 1.00 70.22 H new ATOM 0 HB3 SER A 72 16.996 -14.664 -10.491 1.00 70.22 H new ATOM 0 HG SER A 72 16.701 -13.455 -8.155 1.00 52.12 H new ATOM 1157 N GLU A 73 13.951 -14.933 -7.960 1.00 63.10 N ATOM 1158 CA GLU A 73 13.008 -14.549 -6.917 1.00 33.45 C ATOM 1159 C GLU A 73 13.135 -13.065 -6.586 1.00 44.01 C ATOM 1160 O GLU A 73 12.150 -12.403 -6.264 1.00 62.30 O ATOM 1161 CB GLU A 73 13.239 -15.386 -5.656 1.00 13.01 C ATOM 1162 CG GLU A 73 12.527 -16.728 -5.678 1.00 24.43 C ATOM 1163 CD GLU A 73 12.509 -17.400 -4.318 1.00 63.14 C ATOM 1164 OE1 GLU A 73 13.601 -17.646 -3.764 1.00 53.34 O ATOM 1165 OE2 GLU A 73 11.404 -17.681 -3.810 1.00 0.14 O ATOM 0 H GLU A 73 14.697 -15.554 -7.646 1.00 63.10 H new ATOM 0 HA GLU A 73 12.000 -14.735 -7.289 1.00 33.45 H new ATOM 0 HB2 GLU A 73 14.309 -15.554 -5.532 1.00 13.01 H new ATOM 0 HB3 GLU A 73 12.903 -14.820 -4.787 1.00 13.01 H new ATOM 0 HG2 GLU A 73 11.503 -16.586 -6.023 1.00 24.43 H new ATOM 0 HG3 GLU A 73 13.018 -17.384 -6.397 1.00 24.43 H new ATOM 1172 N ASN A 74 14.357 -12.549 -6.669 1.00 22.31 N ATOM 1173 CA ASN A 74 14.616 -11.144 -6.378 1.00 31.42 C ATOM 1174 C ASN A 74 13.733 -10.240 -7.234 1.00 63.32 C ATOM 1175 O ASN A 74 13.433 -9.107 -6.855 1.00 22.54 O ATOM 1176 CB ASN A 74 16.090 -10.813 -6.620 1.00 24.44 C ATOM 1177 CG ASN A 74 17.021 -11.730 -5.849 1.00 60.10 C ATOM 1178 OD1 ASN A 74 17.337 -12.833 -6.299 1.00 12.35 O ATOM 1179 ND2 ASN A 74 17.466 -11.277 -4.683 1.00 71.14 N ATOM 0 H ASN A 74 15.184 -13.083 -6.936 1.00 22.31 H new ATOM 0 HA ASN A 74 14.379 -10.967 -5.329 1.00 31.42 H new ATOM 0 HB2 ASN A 74 16.307 -10.891 -7.685 1.00 24.44 H new ATOM 0 HB3 ASN A 74 16.280 -9.779 -6.331 1.00 24.44 H new ATOM 0 HD21 ASN A 74 18.096 -11.849 -4.121 1.00 71.14 H new ATOM 0 HD22 ASN A 74 17.178 -10.357 -4.350 1.00 71.14 H new ATOM 1186 N LEU A 75 13.322 -10.749 -8.390 1.00 55.41 N ATOM 1187 CA LEU A 75 12.473 -9.988 -9.301 1.00 60.30 C ATOM 1188 C LEU A 75 11.008 -10.380 -9.135 1.00 70.43 C ATOM 1189 O LEU A 75 10.138 -9.524 -8.974 1.00 4.11 O ATOM 1190 CB LEU A 75 12.913 -10.215 -10.748 1.00 55.21 C ATOM 1191 CG LEU A 75 11.978 -9.667 -11.827 1.00 2.10 C ATOM 1192 CD1 LEU A 75 12.764 -8.879 -12.864 1.00 11.13 C ATOM 1193 CD2 LEU A 75 11.205 -10.799 -12.488 1.00 65.14 C ATOM 0 H LEU A 75 13.562 -11.684 -8.719 1.00 55.41 H new ATOM 0 HA LEU A 75 12.577 -8.931 -9.058 1.00 60.30 H new ATOM 0 HB2 LEU A 75 13.896 -9.763 -10.883 1.00 55.21 H new ATOM 0 HB3 LEU A 75 13.030 -11.287 -10.907 1.00 55.21 H new ATOM 0 HG LEU A 75 11.263 -8.994 -11.354 1.00 2.10 H new ATOM 0 HD11 LEU A 75 12.082 -8.497 -13.624 1.00 11.13 H new ATOM 0 HD12 LEU A 75 13.272 -8.045 -12.379 1.00 11.13 H new ATOM 0 HD13 LEU A 75 13.502 -9.530 -13.333 1.00 11.13 H new ATOM 0 HD21 LEU A 75 10.545 -10.391 -13.253 1.00 65.14 H new ATOM 0 HD22 LEU A 75 11.904 -11.497 -12.947 1.00 65.14 H new ATOM 0 HD23 LEU A 75 10.611 -11.321 -11.738 1.00 65.14 H new ATOM 1205 N LYS A 76 10.741 -11.682 -9.175 1.00 41.34 N ATOM 1206 CA LYS A 76 9.382 -12.189 -9.026 1.00 60.00 C ATOM 1207 C LYS A 76 8.711 -11.595 -7.793 1.00 31.15 C ATOM 1208 O LYS A 76 7.495 -11.406 -7.766 1.00 40.21 O ATOM 1209 CB LYS A 76 9.395 -13.717 -8.927 1.00 41.24 C ATOM 1210 CG LYS A 76 8.080 -14.363 -9.330 1.00 2.24 C ATOM 1211 CD LYS A 76 8.300 -15.526 -10.282 1.00 70.40 C ATOM 1212 CE LYS A 76 9.170 -16.604 -9.654 1.00 32.43 C ATOM 1213 NZ LYS A 76 8.664 -17.015 -8.316 1.00 23.35 N ATOM 0 H LYS A 76 11.448 -12.405 -9.309 1.00 41.34 H new ATOM 0 HA LYS A 76 8.811 -11.892 -9.906 1.00 60.00 H new ATOM 0 HB2 LYS A 76 10.191 -14.107 -9.561 1.00 41.24 H new ATOM 0 HB3 LYS A 76 9.633 -14.005 -7.903 1.00 41.24 H new ATOM 0 HG2 LYS A 76 7.558 -14.714 -8.440 1.00 2.24 H new ATOM 0 HG3 LYS A 76 7.438 -13.620 -9.804 1.00 2.24 H new ATOM 0 HD2 LYS A 76 7.338 -15.953 -10.565 1.00 70.40 H new ATOM 0 HD3 LYS A 76 8.770 -15.165 -11.197 1.00 70.40 H new ATOM 0 HE2 LYS A 76 9.204 -17.472 -10.312 1.00 32.43 H new ATOM 0 HE3 LYS A 76 10.192 -16.236 -9.559 1.00 32.43 H new ATOM 0 HZ1 LYS A 76 9.153 -17.881 -8.011 1.00 23.35 H new ATOM 0 HZ2 LYS A 76 8.843 -16.255 -7.629 1.00 23.35 H new ATOM 0 HZ3 LYS A 76 7.642 -17.196 -8.372 1.00 23.35 H new ATOM 1227 N SER A 77 9.511 -11.301 -6.773 1.00 4.12 N ATOM 1228 CA SER A 77 8.995 -10.729 -5.535 1.00 74.45 C ATOM 1229 C SER A 77 8.360 -9.365 -5.790 1.00 23.21 C ATOM 1230 O SER A 77 7.206 -9.127 -5.430 1.00 43.22 O ATOM 1231 CB SER A 77 10.114 -10.598 -4.501 1.00 24.20 C ATOM 1232 OG SER A 77 10.144 -11.720 -3.637 1.00 20.43 O ATOM 0 H SER A 77 10.520 -11.450 -6.780 1.00 4.12 H new ATOM 0 HA SER A 77 8.229 -11.400 -5.146 1.00 74.45 H new ATOM 0 HB2 SER A 77 11.073 -10.501 -5.009 1.00 24.20 H new ATOM 0 HB3 SER A 77 9.969 -9.689 -3.917 1.00 24.20 H new ATOM 0 HG SER A 77 9.832 -11.455 -2.746 1.00 20.43 H new ATOM 1238 N LEU A 78 9.122 -8.473 -6.413 1.00 2.41 N ATOM 1239 CA LEU A 78 8.637 -7.131 -6.716 1.00 52.03 C ATOM 1240 C LEU A 78 7.434 -7.187 -7.653 1.00 71.31 C ATOM 1241 O LEU A 78 6.564 -6.317 -7.616 1.00 51.30 O ATOM 1242 CB LEU A 78 9.751 -6.295 -7.348 1.00 22.23 C ATOM 1243 CG LEU A 78 9.334 -4.935 -7.907 1.00 40.34 C ATOM 1244 CD1 LEU A 78 9.025 -3.964 -6.778 1.00 72.20 C ATOM 1245 CD2 LEU A 78 10.423 -4.374 -8.812 1.00 14.12 C ATOM 0 H LEU A 78 10.078 -8.655 -6.718 1.00 2.41 H new ATOM 0 HA LEU A 78 8.326 -6.663 -5.782 1.00 52.03 H new ATOM 0 HB2 LEU A 78 10.527 -6.135 -6.600 1.00 22.23 H new ATOM 0 HB3 LEU A 78 10.200 -6.875 -8.154 1.00 22.23 H new ATOM 0 HG LEU A 78 8.429 -5.070 -8.500 1.00 40.34 H new ATOM 0 HD11 LEU A 78 8.730 -3.002 -7.196 1.00 72.20 H new ATOM 0 HD12 LEU A 78 8.212 -4.360 -6.170 1.00 72.20 H new ATOM 0 HD13 LEU A 78 9.912 -3.834 -6.157 1.00 72.20 H new ATOM 0 HD21 LEU A 78 10.109 -3.405 -9.201 1.00 14.12 H new ATOM 0 HD22 LEU A 78 11.344 -4.255 -8.242 1.00 14.12 H new ATOM 0 HD23 LEU A 78 10.596 -5.060 -9.642 1.00 14.12 H new ATOM 1257 N PHE A 79 7.390 -8.217 -8.492 1.00 45.02 N ATOM 1258 CA PHE A 79 6.295 -8.387 -9.438 1.00 74.23 C ATOM 1259 C PHE A 79 4.975 -8.615 -8.706 1.00 73.13 C ATOM 1260 O PHE A 79 3.935 -8.087 -9.099 1.00 45.24 O ATOM 1261 CB PHE A 79 6.580 -9.562 -10.376 1.00 73.31 C ATOM 1262 CG PHE A 79 5.413 -9.930 -11.247 1.00 61.41 C ATOM 1263 CD1 PHE A 79 4.917 -9.033 -12.180 1.00 23.31 C ATOM 1264 CD2 PHE A 79 4.811 -11.173 -11.133 1.00 70.24 C ATOM 1265 CE1 PHE A 79 3.843 -9.369 -12.983 1.00 63.41 C ATOM 1266 CE2 PHE A 79 3.738 -11.515 -11.934 1.00 5.21 C ATOM 1267 CZ PHE A 79 3.253 -10.612 -12.859 1.00 50.34 C ATOM 0 H PHE A 79 8.101 -8.947 -8.535 1.00 45.02 H new ATOM 0 HA PHE A 79 6.212 -7.473 -10.027 1.00 74.23 H new ATOM 0 HB2 PHE A 79 7.431 -9.313 -11.009 1.00 73.31 H new ATOM 0 HB3 PHE A 79 6.868 -10.429 -9.782 1.00 73.31 H new ATOM 0 HD1 PHE A 79 5.375 -8.060 -12.281 1.00 23.31 H new ATOM 0 HD2 PHE A 79 5.185 -11.883 -10.410 1.00 70.24 H new ATOM 0 HE1 PHE A 79 3.466 -8.661 -13.706 1.00 63.41 H new ATOM 0 HE2 PHE A 79 3.279 -12.488 -11.836 1.00 5.21 H new ATOM 0 HZ PHE A 79 2.414 -10.877 -13.485 1.00 50.34 H new ATOM 1277 N ASN A 80 5.026 -9.406 -7.640 1.00 12.22 N ATOM 1278 CA ASN A 80 3.835 -9.705 -6.852 1.00 62.43 C ATOM 1279 C ASN A 80 3.327 -8.456 -6.137 1.00 61.44 C ATOM 1280 O ASN A 80 2.121 -8.262 -5.985 1.00 13.43 O ATOM 1281 CB ASN A 80 4.136 -10.804 -5.832 1.00 0.14 C ATOM 1282 CG ASN A 80 4.106 -12.189 -6.447 1.00 62.24 C ATOM 1283 OD1 ASN A 80 4.128 -12.339 -7.669 1.00 51.14 O ATOM 1284 ND2 ASN A 80 4.057 -13.213 -5.601 1.00 54.34 N ATOM 0 H ASN A 80 5.879 -9.852 -7.301 1.00 12.22 H new ATOM 0 HA ASN A 80 3.058 -10.053 -7.532 1.00 62.43 H new ATOM 0 HB2 ASN A 80 5.117 -10.627 -5.390 1.00 0.14 H new ATOM 0 HB3 ASN A 80 3.408 -10.753 -5.022 1.00 0.14 H new ATOM 0 HD21 ASN A 80 4.036 -14.168 -5.957 1.00 54.34 H new ATOM 0 HD22 ASN A 80 4.040 -13.043 -4.595 1.00 54.34 H new ATOM 1291 N THR A 81 4.257 -7.612 -5.701 1.00 32.34 N ATOM 1292 CA THR A 81 3.905 -6.383 -5.002 1.00 32.31 C ATOM 1293 C THR A 81 3.279 -5.369 -5.953 1.00 61.21 C ATOM 1294 O THR A 81 2.255 -4.760 -5.643 1.00 63.41 O ATOM 1295 CB THR A 81 5.136 -5.747 -4.329 1.00 54.11 C ATOM 1296 OG1 THR A 81 5.887 -6.749 -3.635 1.00 21.32 O ATOM 1297 CG2 THR A 81 4.716 -4.656 -3.355 1.00 43.14 C ATOM 0 H THR A 81 5.260 -7.757 -5.820 1.00 32.34 H new ATOM 0 HA THR A 81 3.180 -6.653 -4.235 1.00 32.31 H new ATOM 0 HB THR A 81 5.757 -5.300 -5.105 1.00 54.11 H new ATOM 0 HG1 THR A 81 6.793 -6.793 -4.005 1.00 21.32 H new ATOM 0 HG21 THR A 81 5.602 -4.221 -2.892 1.00 43.14 H new ATOM 0 HG22 THR A 81 4.169 -3.880 -3.891 1.00 43.14 H new ATOM 0 HG23 THR A 81 4.076 -5.084 -2.583 1.00 43.14 H new ATOM 1305 N VAL A 82 3.901 -5.193 -7.115 1.00 12.12 N ATOM 1306 CA VAL A 82 3.405 -4.253 -8.113 1.00 32.10 C ATOM 1307 C VAL A 82 1.942 -4.528 -8.446 1.00 4.23 C ATOM 1308 O VAL A 82 1.203 -3.623 -8.838 1.00 45.51 O ATOM 1309 CB VAL A 82 4.236 -4.319 -9.408 1.00 72.54 C ATOM 1310 CG1 VAL A 82 3.672 -3.369 -10.453 1.00 73.02 C ATOM 1311 CG2 VAL A 82 5.695 -4.004 -9.121 1.00 63.53 C ATOM 0 H VAL A 82 4.749 -5.689 -7.388 1.00 12.12 H new ATOM 0 HA VAL A 82 3.496 -3.256 -7.683 1.00 32.10 H new ATOM 0 HB VAL A 82 4.179 -5.333 -9.805 1.00 72.54 H new ATOM 0 HG11 VAL A 82 4.272 -3.429 -11.361 1.00 73.02 H new ATOM 0 HG12 VAL A 82 2.642 -3.647 -10.679 1.00 73.02 H new ATOM 0 HG13 VAL A 82 3.697 -2.349 -10.069 1.00 73.02 H new ATOM 0 HG21 VAL A 82 6.267 -4.055 -10.047 1.00 63.53 H new ATOM 0 HG22 VAL A 82 5.775 -3.002 -8.700 1.00 63.53 H new ATOM 0 HG23 VAL A 82 6.091 -4.729 -8.410 1.00 63.53 H new ATOM 1321 N CYS A 83 1.530 -5.780 -8.286 1.00 75.20 N ATOM 1322 CA CYS A 83 0.154 -6.174 -8.571 1.00 11.44 C ATOM 1323 C CYS A 83 -0.802 -5.592 -7.535 1.00 15.10 C ATOM 1324 O CYS A 83 -1.845 -5.035 -7.881 1.00 63.15 O ATOM 1325 CB CYS A 83 0.033 -7.699 -8.593 1.00 51.14 C ATOM 1326 SG CYS A 83 0.526 -8.454 -10.160 1.00 73.22 S ATOM 0 H CYS A 83 2.128 -6.540 -7.961 1.00 75.20 H new ATOM 0 HA CYS A 83 -0.116 -5.781 -9.551 1.00 11.44 H new ATOM 0 HB2 CYS A 83 0.647 -8.113 -7.793 1.00 51.14 H new ATOM 0 HB3 CYS A 83 -0.999 -7.974 -8.378 1.00 51.14 H new ATOM 0 HG CYS A 83 1.209 -9.535 -9.925 1.00 73.22 H new ATOM 1332 N VAL A 84 -0.443 -5.724 -6.262 1.00 61.04 N ATOM 1333 CA VAL A 84 -1.269 -5.211 -5.176 1.00 61.43 C ATOM 1334 C VAL A 84 -1.286 -3.687 -5.171 1.00 74.35 C ATOM 1335 O VAL A 84 -2.319 -3.069 -4.910 1.00 52.04 O ATOM 1336 CB VAL A 84 -0.772 -5.713 -3.808 1.00 40.30 C ATOM 1337 CG1 VAL A 84 -1.687 -5.225 -2.696 1.00 11.24 C ATOM 1338 CG2 VAL A 84 -0.673 -7.231 -3.800 1.00 43.22 C ATOM 0 H VAL A 84 0.416 -6.183 -5.957 1.00 61.04 H new ATOM 0 HA VAL A 84 -2.280 -5.582 -5.345 1.00 61.43 H new ATOM 0 HB VAL A 84 0.224 -5.306 -3.632 1.00 40.30 H new ATOM 0 HG11 VAL A 84 -1.320 -5.590 -1.737 1.00 11.24 H new ATOM 0 HG12 VAL A 84 -1.701 -4.135 -2.689 1.00 11.24 H new ATOM 0 HG13 VAL A 84 -2.696 -5.600 -2.865 1.00 11.24 H new ATOM 0 HG21 VAL A 84 -0.320 -7.567 -2.825 1.00 43.22 H new ATOM 0 HG22 VAL A 84 -1.655 -7.661 -3.999 1.00 43.22 H new ATOM 0 HG23 VAL A 84 0.027 -7.554 -4.571 1.00 43.22 H new ATOM 1348 N ILE A 85 -0.138 -3.087 -5.463 1.00 4.12 N ATOM 1349 CA ILE A 85 -0.021 -1.635 -5.493 1.00 51.22 C ATOM 1350 C ILE A 85 -1.032 -1.022 -6.456 1.00 30.31 C ATOM 1351 O ILE A 85 -1.642 0.005 -6.161 1.00 51.41 O ATOM 1352 CB ILE A 85 1.396 -1.191 -5.904 1.00 70.41 C ATOM 1353 CG1 ILE A 85 2.432 -1.749 -4.926 1.00 12.52 C ATOM 1354 CG2 ILE A 85 1.480 0.326 -5.966 1.00 54.32 C ATOM 1355 CD1 ILE A 85 2.628 -0.887 -3.697 1.00 75.22 C ATOM 0 H ILE A 85 0.725 -3.584 -5.682 1.00 4.12 H new ATOM 0 HA ILE A 85 -0.224 -1.282 -4.482 1.00 51.22 H new ATOM 0 HB ILE A 85 1.611 -1.587 -6.897 1.00 70.41 H new ATOM 0 HG12 ILE A 85 2.125 -2.747 -4.615 1.00 12.52 H new ATOM 0 HG13 ILE A 85 3.386 -1.855 -5.442 1.00 12.52 H new ATOM 0 HG21 ILE A 85 2.487 0.623 -6.258 1.00 54.32 H new ATOM 0 HG22 ILE A 85 0.765 0.700 -6.699 1.00 54.32 H new ATOM 0 HG23 ILE A 85 1.248 0.744 -4.986 1.00 54.32 H new ATOM 0 HD11 ILE A 85 3.376 -1.343 -3.048 1.00 75.22 H new ATOM 0 HD12 ILE A 85 2.965 0.105 -3.998 1.00 75.22 H new ATOM 0 HD13 ILE A 85 1.684 -0.801 -3.158 1.00 75.22 H new ATOM 1367 N TRP A 86 -1.206 -1.662 -7.607 1.00 15.42 N ATOM 1368 CA TRP A 86 -2.146 -1.180 -8.614 1.00 35.02 C ATOM 1369 C TRP A 86 -3.585 -1.352 -8.141 1.00 34.04 C ATOM 1370 O TRP A 86 -4.447 -0.522 -8.431 1.00 42.24 O ATOM 1371 CB TRP A 86 -1.938 -1.926 -9.934 1.00 3.25 C ATOM 1372 CG TRP A 86 -2.845 -1.456 -11.030 1.00 63.53 C ATOM 1373 CD1 TRP A 86 -2.561 -0.522 -11.984 1.00 53.20 C ATOM 1374 CD2 TRP A 86 -4.183 -1.899 -11.283 1.00 60.33 C ATOM 1375 NE1 TRP A 86 -3.643 -0.356 -12.816 1.00 23.33 N ATOM 1376 CE2 TRP A 86 -4.650 -1.190 -12.408 1.00 62.40 C ATOM 1377 CE3 TRP A 86 -5.031 -2.826 -10.672 1.00 44.32 C ATOM 1378 CZ2 TRP A 86 -5.926 -1.380 -12.930 1.00 60.34 C ATOM 1379 CZ3 TRP A 86 -6.298 -3.014 -11.191 1.00 45.34 C ATOM 1380 CH2 TRP A 86 -6.736 -2.295 -12.311 1.00 42.42 C ATOM 0 H TRP A 86 -0.710 -2.515 -7.866 1.00 15.42 H new ATOM 0 HA TRP A 86 -1.959 -0.118 -8.771 1.00 35.02 H new ATOM 0 HB2 TRP A 86 -0.902 -1.805 -10.252 1.00 3.25 H new ATOM 0 HB3 TRP A 86 -2.099 -2.992 -9.770 1.00 3.25 H new ATOM 0 HD1 TRP A 86 -1.624 0.008 -12.072 1.00 53.20 H new ATOM 0 HE1 TRP A 86 -3.688 0.284 -13.609 1.00 23.33 H new ATOM 0 HE3 TRP A 86 -4.702 -3.386 -9.809 1.00 44.32 H new ATOM 0 HZ2 TRP A 86 -6.266 -0.826 -13.792 1.00 60.34 H new ATOM 0 HZ3 TRP A 86 -6.962 -3.727 -10.725 1.00 45.34 H new ATOM 0 HH2 TRP A 86 -7.731 -2.465 -12.694 1.00 42.42 H new ATOM 1391 N CYS A 87 -3.839 -2.433 -7.412 1.00 33.22 N ATOM 1392 CA CYS A 87 -5.176 -2.713 -6.899 1.00 3.01 C ATOM 1393 C CYS A 87 -5.576 -1.694 -5.837 1.00 42.33 C ATOM 1394 O CYS A 87 -6.761 -1.473 -5.590 1.00 71.20 O ATOM 1395 CB CYS A 87 -5.234 -4.126 -6.315 1.00 14.42 C ATOM 1396 SG CYS A 87 -5.675 -5.403 -7.517 1.00 15.41 S ATOM 0 H CYS A 87 -3.137 -3.130 -7.163 1.00 33.22 H new ATOM 0 HA CYS A 87 -5.879 -2.640 -7.728 1.00 3.01 H new ATOM 0 HB2 CYS A 87 -4.264 -4.369 -5.882 1.00 14.42 H new ATOM 0 HB3 CYS A 87 -5.959 -4.142 -5.501 1.00 14.42 H new ATOM 0 HG CYS A 87 -6.765 -6.000 -7.136 1.00 15.41 H new ATOM 1402 N ILE A 88 -4.579 -1.077 -5.212 1.00 3.15 N ATOM 1403 CA ILE A 88 -4.826 -0.082 -4.176 1.00 10.20 C ATOM 1404 C ILE A 88 -5.188 1.268 -4.786 1.00 3.51 C ATOM 1405 O ILE A 88 -6.150 1.913 -4.368 1.00 4.32 O ATOM 1406 CB ILE A 88 -3.601 0.093 -3.258 1.00 75.13 C ATOM 1407 CG1 ILE A 88 -3.288 -1.218 -2.534 1.00 64.14 C ATOM 1408 CG2 ILE A 88 -3.846 1.212 -2.257 1.00 4.14 C ATOM 1409 CD1 ILE A 88 -1.863 -1.306 -2.035 1.00 1.12 C ATOM 0 H ILE A 88 -3.592 -1.249 -5.405 1.00 3.15 H new ATOM 0 HA ILE A 88 -5.664 -0.446 -3.582 1.00 10.20 H new ATOM 0 HB ILE A 88 -2.741 0.362 -3.871 1.00 75.13 H new ATOM 0 HG12 ILE A 88 -3.968 -1.329 -1.689 1.00 64.14 H new ATOM 0 HG13 ILE A 88 -3.480 -2.052 -3.209 1.00 64.14 H new ATOM 0 HG21 ILE A 88 -2.972 1.324 -1.615 1.00 4.14 H new ATOM 0 HG22 ILE A 88 -4.026 2.145 -2.791 1.00 4.14 H new ATOM 0 HG23 ILE A 88 -4.716 0.970 -1.646 1.00 4.14 H new ATOM 0 HD11 ILE A 88 -1.712 -2.261 -1.532 1.00 1.12 H new ATOM 0 HD12 ILE A 88 -1.177 -1.227 -2.878 1.00 1.12 H new ATOM 0 HD13 ILE A 88 -1.672 -0.493 -1.335 1.00 1.12 H new ATOM 1421 N HIS A 89 -4.411 1.690 -5.778 1.00 44.11 N ATOM 1422 CA HIS A 89 -4.649 2.963 -6.450 1.00 3.04 C ATOM 1423 C HIS A 89 -5.803 2.845 -7.440 1.00 43.15 C ATOM 1424 O HIS A 89 -6.388 3.882 -7.753 1.00 40.12 O ATOM 1425 CB HIS A 89 -3.385 3.428 -7.174 1.00 1.14 C ATOM 1426 CG HIS A 89 -2.179 3.499 -6.287 1.00 61.02 C ATOM 1427 ND1 HIS A 89 -2.188 4.114 -5.053 1.00 45.12 N ATOM 1428 CD2 HIS A 89 -0.923 3.028 -6.462 1.00 53.02 C ATOM 1429 CE1 HIS A 89 -0.988 4.018 -4.508 1.00 73.21 C ATOM 1430 NE2 HIS A 89 -0.202 3.362 -5.343 1.00 33.01 N ATOM 0 H HIS A 89 -3.610 1.169 -6.135 1.00 44.11 H new ATOM 0 HA HIS A 89 -4.915 3.701 -5.693 1.00 3.04 H new ATOM 0 HB2 HIS A 89 -3.179 2.748 -8.001 1.00 1.14 H new ATOM 0 HB3 HIS A 89 -3.565 4.412 -7.608 1.00 1.14 H new ATOM 0 HD2 HIS A 89 -0.556 2.489 -7.323 1.00 53.02 H new ATOM 0 HE1 HIS A 89 -0.699 4.409 -3.544 1.00 73.21 H new ATOM 0 HE2 HIS A 89 0.780 3.140 -5.182 1.00 33.01 H new ATOM 1438 N ALA A 90 -6.134 1.653 -7.927 1.00 12.12 N ATOM 1439 CA ALA A 90 -7.230 1.492 -8.874 1.00 1.22 C ATOM 1440 C ALA A 90 -8.562 1.332 -8.150 1.00 40.11 C ATOM 1441 O ALA A 90 -9.579 1.015 -8.766 1.00 42.34 O ATOM 1442 CB ALA A 90 -6.972 0.296 -9.779 1.00 51.24 C ATOM 0 H ALA A 90 -5.658 0.785 -7.681 1.00 12.12 H new ATOM 0 HA ALA A 90 -7.285 2.393 -9.486 1.00 1.22 H new ATOM 0 HB1 ALA A 90 -7.798 0.187 -10.482 1.00 51.24 H new ATOM 0 HB2 ALA A 90 -6.044 0.450 -10.330 1.00 51.24 H new ATOM 0 HB3 ALA A 90 -6.888 -0.607 -9.174 1.00 51.24 H new ATOM 1448 N GLU A 91 -8.549 1.553 -6.839 1.00 13.31 N ATOM 1449 CA GLU A 91 -9.757 1.433 -6.032 1.00 61.23 C ATOM 1450 C GLU A 91 -10.243 -0.014 -5.993 1.00 20.20 C ATOM 1451 O GLU A 91 -11.406 -0.281 -5.694 1.00 3.32 O ATOM 1452 CB GLU A 91 -10.861 2.337 -6.587 1.00 44.01 C ATOM 1453 CG GLU A 91 -11.717 2.982 -5.510 1.00 42.13 C ATOM 1454 CD GLU A 91 -13.011 3.552 -6.058 1.00 63.50 C ATOM 1455 OE1 GLU A 91 -13.225 3.465 -7.284 1.00 52.44 O ATOM 1456 OE2 GLU A 91 -13.811 4.082 -5.258 1.00 5.12 O ATOM 0 H GLU A 91 -7.715 1.816 -6.314 1.00 13.31 H new ATOM 0 HA GLU A 91 -9.517 1.747 -5.016 1.00 61.23 H new ATOM 0 HB2 GLU A 91 -10.407 3.119 -7.196 1.00 44.01 H new ATOM 0 HB3 GLU A 91 -11.502 1.751 -7.246 1.00 44.01 H new ATOM 0 HG2 GLU A 91 -11.946 2.243 -4.742 1.00 42.13 H new ATOM 0 HG3 GLU A 91 -11.149 3.778 -5.028 1.00 42.13 H new ATOM 1463 N GLU A 92 -9.341 -0.943 -6.299 1.00 32.05 N ATOM 1464 CA GLU A 92 -9.678 -2.361 -6.299 1.00 60.13 C ATOM 1465 C GLU A 92 -9.509 -2.962 -4.906 1.00 42.41 C ATOM 1466 O GLU A 92 -8.621 -2.566 -4.151 1.00 30.12 O ATOM 1467 CB GLU A 92 -8.803 -3.116 -7.302 1.00 4.21 C ATOM 1468 CG GLU A 92 -9.217 -2.908 -8.749 1.00 21.51 C ATOM 1469 CD GLU A 92 -10.359 -3.816 -9.164 1.00 3.51 C ATOM 1470 OE1 GLU A 92 -11.167 -4.192 -8.289 1.00 51.44 O ATOM 1471 OE2 GLU A 92 -10.443 -4.150 -10.364 1.00 75.24 O ATOM 0 H GLU A 92 -8.374 -0.739 -6.549 1.00 32.05 H new ATOM 0 HA GLU A 92 -10.723 -2.459 -6.593 1.00 60.13 H new ATOM 0 HB2 GLU A 92 -7.768 -2.798 -7.180 1.00 4.21 H new ATOM 0 HB3 GLU A 92 -8.838 -4.181 -7.072 1.00 4.21 H new ATOM 0 HG2 GLU A 92 -9.513 -1.869 -8.893 1.00 21.51 H new ATOM 0 HG3 GLU A 92 -8.360 -3.088 -9.398 1.00 21.51 H new ATOM 1478 N LYS A 93 -10.367 -3.920 -4.573 1.00 51.43 N ATOM 1479 CA LYS A 93 -10.315 -4.577 -3.273 1.00 3.43 C ATOM 1480 C LYS A 93 -9.933 -6.046 -3.420 1.00 71.14 C ATOM 1481 O LYS A 93 -10.492 -6.763 -4.251 1.00 55.32 O ATOM 1482 CB LYS A 93 -11.665 -4.458 -2.563 1.00 4.00 C ATOM 1483 CG LYS A 93 -11.983 -3.050 -2.092 1.00 12.40 C ATOM 1484 CD LYS A 93 -12.909 -2.333 -3.061 1.00 52.02 C ATOM 1485 CE LYS A 93 -14.319 -2.899 -3.006 1.00 30.31 C ATOM 1486 NZ LYS A 93 -15.302 -1.894 -2.513 1.00 44.23 N ATOM 0 H LYS A 93 -11.108 -4.259 -5.187 1.00 51.43 H new ATOM 0 HA LYS A 93 -9.552 -4.080 -2.674 1.00 3.43 H new ATOM 0 HB2 LYS A 93 -12.452 -4.792 -3.239 1.00 4.00 H new ATOM 0 HB3 LYS A 93 -11.675 -5.130 -1.705 1.00 4.00 H new ATOM 0 HG2 LYS A 93 -12.447 -3.091 -1.107 1.00 12.40 H new ATOM 0 HG3 LYS A 93 -11.058 -2.484 -1.985 1.00 12.40 H new ATOM 0 HD2 LYS A 93 -12.933 -1.269 -2.823 1.00 52.02 H new ATOM 0 HD3 LYS A 93 -12.518 -2.424 -4.074 1.00 52.02 H new ATOM 0 HE2 LYS A 93 -14.613 -3.238 -3.999 1.00 30.31 H new ATOM 0 HE3 LYS A 93 -14.335 -3.772 -2.354 1.00 30.31 H new ATOM 0 HZ1 LYS A 93 -16.251 -2.319 -2.490 1.00 44.23 H new ATOM 0 HZ2 LYS A 93 -15.036 -1.589 -1.555 1.00 44.23 H new ATOM 0 HZ3 LYS A 93 -15.306 -1.071 -3.149 1.00 44.23 H new ATOM 1500 N VAL A 94 -8.978 -6.490 -2.609 1.00 31.22 N ATOM 1501 CA VAL A 94 -8.525 -7.875 -2.647 1.00 52.43 C ATOM 1502 C VAL A 94 -8.325 -8.427 -1.240 1.00 62.32 C ATOM 1503 O VAL A 94 -8.122 -7.674 -0.288 1.00 50.51 O ATOM 1504 CB VAL A 94 -7.207 -8.012 -3.433 1.00 11.01 C ATOM 1505 CG1 VAL A 94 -7.380 -7.511 -4.858 1.00 55.54 C ATOM 1506 CG2 VAL A 94 -6.087 -7.262 -2.728 1.00 44.15 C ATOM 0 H VAL A 94 -8.503 -5.910 -1.917 1.00 31.22 H new ATOM 0 HA VAL A 94 -9.302 -8.449 -3.152 1.00 52.43 H new ATOM 0 HB VAL A 94 -6.937 -9.067 -3.475 1.00 11.01 H new ATOM 0 HG11 VAL A 94 -6.439 -7.616 -5.397 1.00 55.54 H new ATOM 0 HG12 VAL A 94 -8.152 -8.096 -5.358 1.00 55.54 H new ATOM 0 HG13 VAL A 94 -7.674 -6.461 -4.842 1.00 55.54 H new ATOM 0 HG21 VAL A 94 -5.163 -7.369 -3.297 1.00 44.15 H new ATOM 0 HG22 VAL A 94 -6.347 -6.206 -2.654 1.00 44.15 H new ATOM 0 HG23 VAL A 94 -5.947 -7.673 -1.728 1.00 44.15 H new ATOM 1516 N LYS A 95 -8.381 -9.748 -1.116 1.00 35.31 N ATOM 1517 CA LYS A 95 -8.205 -10.405 0.174 1.00 1.51 C ATOM 1518 C LYS A 95 -6.758 -10.849 0.365 1.00 52.21 C ATOM 1519 O LYS A 95 -6.220 -10.784 1.470 1.00 13.32 O ATOM 1520 CB LYS A 95 -9.139 -11.611 0.288 1.00 32.22 C ATOM 1521 CG LYS A 95 -9.042 -12.332 1.622 1.00 53.24 C ATOM 1522 CD LYS A 95 -10.237 -13.243 1.852 1.00 44.45 C ATOM 1523 CE LYS A 95 -10.208 -14.445 0.921 1.00 34.01 C ATOM 1524 NZ LYS A 95 -9.054 -15.341 1.208 1.00 71.02 N ATOM 0 H LYS A 95 -8.547 -10.386 -1.894 1.00 35.31 H new ATOM 0 HA LYS A 95 -8.453 -9.687 0.956 1.00 1.51 H new ATOM 0 HB2 LYS A 95 -10.166 -11.280 0.138 1.00 32.22 H new ATOM 0 HB3 LYS A 95 -8.910 -12.314 -0.513 1.00 32.22 H new ATOM 0 HG2 LYS A 95 -8.124 -12.919 1.653 1.00 53.24 H new ATOM 0 HG3 LYS A 95 -8.980 -11.601 2.428 1.00 53.24 H new ATOM 0 HD2 LYS A 95 -10.243 -13.583 2.887 1.00 44.45 H new ATOM 0 HD3 LYS A 95 -11.159 -12.682 1.696 1.00 44.45 H new ATOM 0 HE2 LYS A 95 -11.137 -15.006 1.023 1.00 34.01 H new ATOM 0 HE3 LYS A 95 -10.154 -14.103 -0.112 1.00 34.01 H new ATOM 0 HZ1 LYS A 95 -9.218 -16.270 0.770 1.00 71.02 H new ATOM 0 HZ2 LYS A 95 -8.185 -14.923 0.819 1.00 71.02 H new ATOM 0 HZ3 LYS A 95 -8.952 -15.457 2.236 1.00 71.02 H new ATOM 1538 N ASP A 96 -6.134 -11.298 -0.718 1.00 31.42 N ATOM 1539 CA ASP A 96 -4.749 -11.751 -0.670 1.00 44.20 C ATOM 1540 C ASP A 96 -4.000 -11.343 -1.935 1.00 43.13 C ATOM 1541 O ASP A 96 -4.521 -10.597 -2.765 1.00 21.51 O ATOM 1542 CB ASP A 96 -4.692 -13.269 -0.496 1.00 31.02 C ATOM 1543 CG ASP A 96 -5.406 -14.008 -1.611 1.00 1.52 C ATOM 1544 OD1 ASP A 96 -4.844 -14.090 -2.723 1.00 72.13 O ATOM 1545 OD2 ASP A 96 -6.526 -14.503 -1.371 1.00 14.03 O ATOM 0 H ASP A 96 -6.565 -11.358 -1.640 1.00 31.42 H new ATOM 0 HA ASP A 96 -4.267 -11.277 0.185 1.00 44.20 H new ATOM 0 HB2 ASP A 96 -3.651 -13.589 -0.461 1.00 31.02 H new ATOM 0 HB3 ASP A 96 -5.140 -13.539 0.460 1.00 31.02 H new ATOM 1550 N THR A 97 -2.773 -11.836 -2.075 1.00 73.44 N ATOM 1551 CA THR A 97 -1.952 -11.522 -3.238 1.00 2.22 C ATOM 1552 C THR A 97 -2.398 -12.318 -4.459 1.00 32.14 C ATOM 1553 O THR A 97 -2.559 -11.765 -5.546 1.00 63.11 O ATOM 1554 CB THR A 97 -0.464 -11.811 -2.968 1.00 4.15 C ATOM 1555 OG1 THR A 97 0.017 -10.966 -1.915 1.00 52.13 O ATOM 1556 CG2 THR A 97 0.368 -11.588 -4.222 1.00 71.20 C ATOM 0 H THR A 97 -2.326 -12.454 -1.398 1.00 73.44 H new ATOM 0 HA THR A 97 -2.079 -10.458 -3.436 1.00 2.22 H new ATOM 0 HB THR A 97 -0.369 -12.855 -2.669 1.00 4.15 H new ATOM 0 HG1 THR A 97 -0.599 -11.008 -1.154 1.00 52.13 H new ATOM 0 HG21 THR A 97 1.415 -11.799 -4.006 1.00 71.20 H new ATOM 0 HG22 THR A 97 0.020 -12.253 -5.013 1.00 71.20 H new ATOM 0 HG23 THR A 97 0.266 -10.553 -4.547 1.00 71.20 H new ATOM 1564 N GLU A 98 -2.599 -13.619 -4.270 1.00 72.23 N ATOM 1565 CA GLU A 98 -3.027 -14.490 -5.358 1.00 74.24 C ATOM 1566 C GLU A 98 -4.235 -13.903 -6.084 1.00 3.35 C ATOM 1567 O GLU A 98 -4.339 -13.985 -7.306 1.00 72.52 O ATOM 1568 CB GLU A 98 -3.369 -15.882 -4.823 1.00 2.11 C ATOM 1569 CG GLU A 98 -2.170 -16.812 -4.735 1.00 13.22 C ATOM 1570 CD GLU A 98 -2.358 -18.084 -5.539 1.00 15.02 C ATOM 1571 OE1 GLU A 98 -3.178 -18.931 -5.127 1.00 22.33 O ATOM 1572 OE2 GLU A 98 -1.685 -18.233 -6.580 1.00 53.44 O ATOM 0 H GLU A 98 -2.472 -14.092 -3.375 1.00 72.23 H new ATOM 0 HA GLU A 98 -2.203 -14.572 -6.067 1.00 74.24 H new ATOM 0 HB2 GLU A 98 -3.814 -15.782 -3.833 1.00 2.11 H new ATOM 0 HB3 GLU A 98 -4.123 -16.335 -5.467 1.00 2.11 H new ATOM 0 HG2 GLU A 98 -1.282 -16.289 -5.091 1.00 13.22 H new ATOM 0 HG3 GLU A 98 -1.991 -17.070 -3.691 1.00 13.22 H new ATOM 1579 N GLY A 99 -5.145 -13.309 -5.318 1.00 54.12 N ATOM 1580 CA GLY A 99 -6.334 -12.716 -5.904 1.00 13.50 C ATOM 1581 C GLY A 99 -6.025 -11.466 -6.703 1.00 43.30 C ATOM 1582 O GLY A 99 -6.550 -11.276 -7.800 1.00 33.15 O ATOM 0 H GLY A 99 -5.081 -13.228 -4.303 1.00 54.12 H new ATOM 0 HA2 GLY A 99 -6.819 -13.447 -6.551 1.00 13.50 H new ATOM 0 HA3 GLY A 99 -7.042 -12.472 -5.112 1.00 13.50 H new ATOM 1586 N ALA A 100 -5.170 -10.609 -6.153 1.00 73.52 N ATOM 1587 CA ALA A 100 -4.791 -9.371 -6.823 1.00 33.44 C ATOM 1588 C ALA A 100 -4.195 -9.651 -8.198 1.00 23.44 C ATOM 1589 O ALA A 100 -4.508 -8.969 -9.173 1.00 12.20 O ATOM 1590 CB ALA A 100 -3.807 -8.588 -5.967 1.00 24.32 C ATOM 0 H ALA A 100 -4.727 -10.750 -5.245 1.00 73.52 H new ATOM 0 HA ALA A 100 -5.691 -8.772 -6.962 1.00 33.44 H new ATOM 0 HB1 ALA A 100 -3.532 -7.666 -6.479 1.00 24.32 H new ATOM 0 HB2 ALA A 100 -4.269 -8.347 -5.010 1.00 24.32 H new ATOM 0 HB3 ALA A 100 -2.913 -9.189 -5.798 1.00 24.32 H new ATOM 1596 N LYS A 101 -3.331 -10.658 -8.269 1.00 24.52 N ATOM 1597 CA LYS A 101 -2.689 -11.030 -9.524 1.00 14.33 C ATOM 1598 C LYS A 101 -3.729 -11.405 -10.576 1.00 61.12 C ATOM 1599 O LYS A 101 -3.610 -11.026 -11.741 1.00 4.13 O ATOM 1600 CB LYS A 101 -1.727 -12.199 -9.303 1.00 20.51 C ATOM 1601 CG LYS A 101 -0.266 -11.827 -9.486 1.00 73.53 C ATOM 1602 CD LYS A 101 0.593 -13.054 -9.742 1.00 63.53 C ATOM 1603 CE LYS A 101 0.301 -13.666 -11.104 1.00 24.41 C ATOM 1604 NZ LYS A 101 -0.147 -15.082 -10.992 1.00 22.12 N ATOM 0 H LYS A 101 -3.059 -11.232 -7.471 1.00 24.52 H new ATOM 0 HA LYS A 101 -2.126 -10.169 -9.884 1.00 14.33 H new ATOM 0 HB2 LYS A 101 -1.870 -12.591 -8.296 1.00 20.51 H new ATOM 0 HB3 LYS A 101 -1.978 -13.002 -9.996 1.00 20.51 H new ATOM 0 HG2 LYS A 101 -0.168 -11.132 -10.320 1.00 73.53 H new ATOM 0 HG3 LYS A 101 0.093 -11.309 -8.596 1.00 73.53 H new ATOM 0 HD2 LYS A 101 1.646 -12.780 -9.683 1.00 63.53 H new ATOM 0 HD3 LYS A 101 0.412 -13.795 -8.963 1.00 63.53 H new ATOM 0 HE2 LYS A 101 -0.468 -13.081 -11.608 1.00 24.41 H new ATOM 0 HE3 LYS A 101 1.196 -13.616 -11.724 1.00 24.41 H new ATOM 0 HZ1 LYS A 101 -0.336 -15.463 -11.941 1.00 22.12 H new ATOM 0 HZ2 LYS A 101 0.597 -15.646 -10.534 1.00 22.12 H new ATOM 0 HZ3 LYS A 101 -1.016 -15.127 -10.422 1.00 22.12 H new ATOM 1618 N GLN A 102 -4.746 -12.150 -10.156 1.00 53.23 N ATOM 1619 CA GLN A 102 -5.806 -12.574 -11.064 1.00 11.33 C ATOM 1620 C GLN A 102 -6.522 -11.369 -11.666 1.00 72.52 C ATOM 1621 O GLN A 102 -6.690 -11.280 -12.883 1.00 1.33 O ATOM 1622 CB GLN A 102 -6.810 -13.463 -10.328 1.00 64.13 C ATOM 1623 CG GLN A 102 -6.469 -14.944 -10.387 1.00 43.10 C ATOM 1624 CD GLN A 102 -7.652 -15.830 -10.054 1.00 12.41 C ATOM 1625 OE1 GLN A 102 -8.593 -15.403 -9.381 1.00 44.42 O ATOM 1626 NE2 GLN A 102 -7.614 -17.070 -10.523 1.00 22.42 N ATOM 0 H GLN A 102 -4.859 -12.472 -9.195 1.00 53.23 H new ATOM 0 HA GLN A 102 -5.350 -13.144 -11.874 1.00 11.33 H new ATOM 0 HB2 GLN A 102 -6.862 -13.152 -9.285 1.00 64.13 H new ATOM 0 HB3 GLN A 102 -7.801 -13.309 -10.756 1.00 64.13 H new ATOM 0 HG2 GLN A 102 -6.106 -15.190 -11.385 1.00 43.10 H new ATOM 0 HG3 GLN A 102 -5.656 -15.154 -9.692 1.00 43.10 H new ATOM 0 HE21 GLN A 102 -6.816 -17.382 -11.076 1.00 22.42 H new ATOM 0 HE22 GLN A 102 -8.383 -17.712 -10.331 1.00 22.42 H new ATOM 1635 N ILE A 103 -6.942 -10.447 -10.807 1.00 52.14 N ATOM 1636 CA ILE A 103 -7.639 -9.248 -11.255 1.00 52.42 C ATOM 1637 C ILE A 103 -6.749 -8.400 -12.158 1.00 14.42 C ATOM 1638 O ILE A 103 -7.196 -7.889 -13.185 1.00 52.25 O ATOM 1639 CB ILE A 103 -8.109 -8.391 -10.064 1.00 64.14 C ATOM 1640 CG1 ILE A 103 -9.042 -9.201 -9.162 1.00 72.10 C ATOM 1641 CG2 ILE A 103 -8.802 -7.131 -10.560 1.00 14.03 C ATOM 1642 CD1 ILE A 103 -9.480 -8.455 -7.921 1.00 62.13 C ATOM 0 H ILE A 103 -6.812 -10.507 -9.797 1.00 52.14 H new ATOM 0 HA ILE A 103 -8.511 -9.582 -11.818 1.00 52.42 H new ATOM 0 HB ILE A 103 -7.237 -8.096 -9.480 1.00 64.14 H new ATOM 0 HG12 ILE A 103 -9.924 -9.491 -9.732 1.00 72.10 H new ATOM 0 HG13 ILE A 103 -8.538 -10.121 -8.865 1.00 72.10 H new ATOM 0 HG21 ILE A 103 -9.129 -6.536 -9.707 1.00 14.03 H new ATOM 0 HG22 ILE A 103 -8.108 -6.548 -11.165 1.00 14.03 H new ATOM 0 HG23 ILE A 103 -9.667 -7.405 -11.164 1.00 14.03 H new ATOM 0 HD11 ILE A 103 -10.139 -9.090 -7.329 1.00 62.13 H new ATOM 0 HD12 ILE A 103 -8.605 -8.188 -7.329 1.00 62.13 H new ATOM 0 HD13 ILE A 103 -10.012 -7.549 -8.210 1.00 62.13 H new ATOM 1654 N VAL A 104 -5.487 -8.255 -11.768 1.00 53.42 N ATOM 1655 CA VAL A 104 -4.533 -7.471 -12.543 1.00 52.22 C ATOM 1656 C VAL A 104 -4.298 -8.092 -13.916 1.00 52.41 C ATOM 1657 O VAL A 104 -4.297 -7.395 -14.932 1.00 23.25 O ATOM 1658 CB VAL A 104 -3.183 -7.346 -11.811 1.00 40.04 C ATOM 1659 CG1 VAL A 104 -2.174 -6.605 -12.674 1.00 72.34 C ATOM 1660 CG2 VAL A 104 -3.367 -6.647 -10.472 1.00 65.41 C ATOM 0 H VAL A 104 -5.101 -8.670 -10.920 1.00 53.42 H new ATOM 0 HA VAL A 104 -4.965 -6.478 -12.665 1.00 52.22 H new ATOM 0 HB VAL A 104 -2.797 -8.348 -11.623 1.00 40.04 H new ATOM 0 HG11 VAL A 104 -1.227 -6.527 -12.140 1.00 72.34 H new ATOM 0 HG12 VAL A 104 -2.022 -7.151 -13.605 1.00 72.34 H new ATOM 0 HG13 VAL A 104 -2.549 -5.606 -12.896 1.00 72.34 H new ATOM 0 HG21 VAL A 104 -2.404 -6.567 -9.968 1.00 65.41 H new ATOM 0 HG22 VAL A 104 -3.775 -5.650 -10.635 1.00 65.41 H new ATOM 0 HG23 VAL A 104 -4.054 -7.223 -9.852 1.00 65.41 H new ATOM 1670 N ARG A 105 -4.102 -9.406 -13.939 1.00 52.53 N ATOM 1671 CA ARG A 105 -3.865 -10.121 -15.187 1.00 55.43 C ATOM 1672 C ARG A 105 -5.012 -9.894 -16.169 1.00 73.55 C ATOM 1673 O ARG A 105 -4.801 -9.420 -17.285 1.00 15.01 O ATOM 1674 CB ARG A 105 -3.698 -11.618 -14.920 1.00 12.45 C ATOM 1675 CG ARG A 105 -2.969 -12.357 -16.028 1.00 44.02 C ATOM 1676 CD ARG A 105 -3.489 -13.777 -16.188 1.00 33.12 C ATOM 1677 NE ARG A 105 -2.637 -14.752 -15.512 1.00 43.24 N ATOM 1678 CZ ARG A 105 -2.961 -16.031 -15.360 1.00 72.44 C ATOM 1679 NH1 ARG A 105 -4.111 -16.487 -15.835 1.00 75.21 N ATOM 1680 NH2 ARG A 105 -2.133 -16.857 -14.734 1.00 5.42 N ATOM 0 H ARG A 105 -4.103 -9.997 -13.108 1.00 52.53 H new ATOM 0 HA ARG A 105 -2.947 -9.734 -15.629 1.00 55.43 H new ATOM 0 HB2 ARG A 105 -3.153 -11.753 -13.986 1.00 12.45 H new ATOM 0 HB3 ARG A 105 -4.682 -12.066 -14.783 1.00 12.45 H new ATOM 0 HG2 ARG A 105 -3.089 -11.817 -16.967 1.00 44.02 H new ATOM 0 HG3 ARG A 105 -1.902 -12.382 -15.809 1.00 44.02 H new ATOM 0 HD2 ARG A 105 -4.501 -13.840 -15.787 1.00 33.12 H new ATOM 0 HD3 ARG A 105 -3.551 -14.023 -17.248 1.00 33.12 H new ATOM 0 HE ARG A 105 -1.744 -14.433 -15.136 1.00 43.24 H new ATOM 0 HH11 ARG A 105 -4.749 -15.855 -16.319 1.00 75.21 H new ATOM 0 HH12 ARG A 105 -4.358 -17.470 -15.717 1.00 75.21 H new ATOM 0 HH21 ARG A 105 -1.246 -16.510 -14.369 1.00 5.42 H new ATOM 0 HH22 ARG A 105 -2.383 -17.839 -14.618 1.00 5.42 H new ATOM 1694 N ARG A 106 -6.224 -10.237 -15.744 1.00 71.33 N ATOM 1695 CA ARG A 106 -7.403 -10.074 -16.586 1.00 44.14 C ATOM 1696 C ARG A 106 -7.489 -8.650 -17.131 1.00 20.22 C ATOM 1697 O ARG A 106 -8.018 -8.421 -18.218 1.00 42.23 O ATOM 1698 CB ARG A 106 -8.670 -10.406 -15.797 1.00 30.24 C ATOM 1699 CG ARG A 106 -9.169 -11.825 -16.016 1.00 34.41 C ATOM 1700 CD ARG A 106 -9.932 -11.950 -17.327 1.00 23.44 C ATOM 1701 NE ARG A 106 -10.170 -13.345 -17.689 1.00 60.35 N ATOM 1702 CZ ARG A 106 -11.103 -13.731 -18.553 1.00 0.43 C ATOM 1703 NH1 ARG A 106 -11.881 -12.831 -19.139 1.00 40.14 N ATOM 1704 NH2 ARG A 106 -11.258 -15.018 -18.833 1.00 34.31 N ATOM 0 H ARG A 106 -6.415 -10.629 -14.822 1.00 71.33 H new ATOM 0 HA ARG A 106 -7.316 -10.763 -17.426 1.00 44.14 H new ATOM 0 HB2 ARG A 106 -8.476 -10.258 -14.735 1.00 30.24 H new ATOM 0 HB3 ARG A 106 -9.457 -9.706 -16.078 1.00 30.24 H new ATOM 0 HG2 ARG A 106 -8.324 -12.513 -16.018 1.00 34.41 H new ATOM 0 HG3 ARG A 106 -9.815 -12.117 -15.188 1.00 34.41 H new ATOM 0 HD2 ARG A 106 -10.886 -11.429 -17.243 1.00 23.44 H new ATOM 0 HD3 ARG A 106 -9.370 -11.460 -18.122 1.00 23.44 H new ATOM 0 HE ARG A 106 -9.588 -14.062 -17.255 1.00 60.35 H new ATOM 0 HH11 ARG A 106 -11.764 -11.840 -18.927 1.00 40.14 H new ATOM 0 HH12 ARG A 106 -12.596 -13.130 -19.802 1.00 40.14 H new ATOM 0 HH21 ARG A 106 -10.661 -15.713 -18.385 1.00 34.31 H new ATOM 0 HH22 ARG A 106 -11.975 -15.313 -19.496 1.00 34.31 H new ATOM 1718 N HIS A 107 -6.966 -7.698 -16.366 1.00 5.45 N ATOM 1719 CA HIS A 107 -6.982 -6.296 -16.770 1.00 14.53 C ATOM 1720 C HIS A 107 -5.919 -6.025 -17.831 1.00 53.12 C ATOM 1721 O HIS A 107 -6.146 -5.126 -18.642 1.00 45.13 O ATOM 1722 CB HIS A 107 -6.753 -5.391 -15.559 1.00 55.54 C ATOM 1723 CG HIS A 107 -7.939 -5.298 -14.648 1.00 52.05 C ATOM 1724 ND1 HIS A 107 -9.240 -5.405 -15.092 1.00 53.23 N ATOM 1725 CD2 HIS A 107 -8.015 -5.109 -13.310 1.00 2.21 C ATOM 1726 CE1 HIS A 107 -10.064 -5.285 -14.067 1.00 22.02 C ATOM 1727 NE2 HIS A 107 -9.345 -5.105 -12.973 1.00 71.12 N ATOM 0 H HIS A 107 -6.526 -7.871 -15.462 1.00 5.45 H new ATOM 0 HA HIS A 107 -7.961 -6.077 -17.197 1.00 14.53 H new ATOM 0 HB2 HIS A 107 -5.899 -5.764 -14.993 1.00 55.54 H new ATOM 0 HB3 HIS A 107 -6.493 -4.391 -15.907 1.00 55.54 H new ATOM 0 HD2 HIS A 107 -7.183 -4.984 -12.633 1.00 2.21 H new ATOM 0 HE1 HIS A 107 -11.142 -5.327 -14.115 1.00 22.02 H new ATOM 0 HE2 HIS A 107 -9.718 -4.983 -12.032 1.00 71.12 H new ATOM 1735 N LEU A 108 -4.807 -6.750 -17.846 1.00 44.40 N ATOM 1736 CA LEU A 108 -3.763 -6.528 -18.841 1.00 5.42 C ATOM 1737 C LEU A 108 -4.126 -7.183 -20.168 1.00 60.42 C ATOM 1738 O LEU A 108 -3.995 -6.574 -21.231 1.00 15.42 O ATOM 1739 CB LEU A 108 -2.426 -7.076 -18.336 1.00 75.44 C ATOM 1740 CG LEU A 108 -1.882 -6.445 -17.055 1.00 11.11 C ATOM 1741 CD1 LEU A 108 -0.498 -6.989 -16.738 1.00 4.05 C ATOM 1742 CD2 LEU A 108 -1.845 -4.929 -17.181 1.00 44.40 C ATOM 0 H LEU A 108 -4.604 -7.497 -17.181 1.00 44.40 H new ATOM 0 HA LEU A 108 -3.671 -5.454 -19.002 1.00 5.42 H new ATOM 0 HB2 LEU A 108 -2.535 -8.148 -18.171 1.00 75.44 H new ATOM 0 HB3 LEU A 108 -1.683 -6.948 -19.124 1.00 75.44 H new ATOM 0 HG LEU A 108 -2.549 -6.705 -16.233 1.00 11.11 H new ATOM 0 HD11 LEU A 108 -0.127 -6.528 -15.823 1.00 4.05 H new ATOM 0 HD12 LEU A 108 -0.554 -8.069 -16.604 1.00 4.05 H new ATOM 0 HD13 LEU A 108 0.180 -6.760 -17.560 1.00 4.05 H new ATOM 0 HD21 LEU A 108 -1.455 -4.497 -16.260 1.00 44.40 H new ATOM 0 HD22 LEU A 108 -1.201 -4.649 -18.014 1.00 44.40 H new ATOM 0 HD23 LEU A 108 -2.853 -4.554 -17.359 1.00 44.40 H new ATOM 1754 N VAL A 109 -4.586 -8.428 -20.102 1.00 23.35 N ATOM 1755 CA VAL A 109 -4.972 -9.166 -21.298 1.00 34.43 C ATOM 1756 C VAL A 109 -5.979 -8.379 -22.128 1.00 2.11 C ATOM 1757 O VAL A 109 -5.940 -8.404 -23.358 1.00 41.32 O ATOM 1758 CB VAL A 109 -5.578 -10.537 -20.941 1.00 63.23 C ATOM 1759 CG1 VAL A 109 -6.000 -11.279 -22.200 1.00 43.43 C ATOM 1760 CG2 VAL A 109 -4.588 -11.362 -20.133 1.00 11.11 C ATOM 0 H VAL A 109 -4.700 -8.947 -19.232 1.00 23.35 H new ATOM 0 HA VAL A 109 -4.064 -9.319 -21.882 1.00 34.43 H new ATOM 0 HB VAL A 109 -6.466 -10.374 -20.330 1.00 63.23 H new ATOM 0 HG11 VAL A 109 -6.426 -12.245 -21.928 1.00 43.43 H new ATOM 0 HG12 VAL A 109 -6.746 -10.692 -22.736 1.00 43.43 H new ATOM 0 HG13 VAL A 109 -5.131 -11.433 -22.840 1.00 43.43 H new ATOM 0 HG21 VAL A 109 -5.032 -12.327 -19.889 1.00 11.11 H new ATOM 0 HG22 VAL A 109 -3.681 -11.517 -20.718 1.00 11.11 H new ATOM 0 HG23 VAL A 109 -4.340 -10.834 -19.212 1.00 11.11 H new ATOM 1770 N ALA A 110 -6.880 -7.679 -21.448 1.00 32.34 N ATOM 1771 CA ALA A 110 -7.897 -6.881 -22.121 1.00 61.14 C ATOM 1772 C ALA A 110 -7.260 -5.799 -22.988 1.00 34.21 C ATOM 1773 O ALA A 110 -7.807 -5.420 -24.023 1.00 13.53 O ATOM 1774 CB ALA A 110 -8.840 -6.258 -21.103 1.00 1.31 C ATOM 0 H ALA A 110 -6.926 -7.648 -20.430 1.00 32.34 H new ATOM 0 HA ALA A 110 -8.470 -7.542 -22.772 1.00 61.14 H new ATOM 0 HB1 ALA A 110 -9.594 -5.665 -21.621 1.00 1.31 H new ATOM 0 HB2 ALA A 110 -9.329 -7.046 -20.530 1.00 1.31 H new ATOM 0 HB3 ALA A 110 -8.274 -5.616 -20.428 1.00 1.31 H new ATOM 1780 N GLU A 111 -6.103 -5.308 -22.556 1.00 53.14 N ATOM 1781 CA GLU A 111 -5.394 -4.268 -23.293 1.00 0.21 C ATOM 1782 C GLU A 111 -4.427 -4.880 -24.303 1.00 2.40 C ATOM 1783 O GLU A 111 -4.479 -4.573 -25.495 1.00 4.02 O ATOM 1784 CB GLU A 111 -4.632 -3.358 -22.328 1.00 13.31 C ATOM 1785 CG GLU A 111 -4.198 -2.040 -22.948 1.00 71.45 C ATOM 1786 CD GLU A 111 -4.569 -0.843 -22.095 1.00 71.15 C ATOM 1787 OE1 GLU A 111 -5.746 -0.427 -22.137 1.00 5.34 O ATOM 1788 OE2 GLU A 111 -3.683 -0.323 -21.386 1.00 11.52 O ATOM 0 H GLU A 111 -5.637 -5.613 -21.701 1.00 53.14 H new ATOM 0 HA GLU A 111 -6.131 -3.675 -23.835 1.00 0.21 H new ATOM 0 HB2 GLU A 111 -5.261 -3.153 -21.462 1.00 13.31 H new ATOM 0 HB3 GLU A 111 -3.751 -3.886 -21.963 1.00 13.31 H new ATOM 0 HG2 GLU A 111 -3.119 -2.052 -23.100 1.00 71.45 H new ATOM 0 HG3 GLU A 111 -4.657 -1.937 -23.931 1.00 71.45 H new ATOM 1795 N THR A 112 -3.544 -5.747 -23.818 1.00 75.10 N ATOM 1796 CA THR A 112 -2.565 -6.401 -24.676 1.00 25.22 C ATOM 1797 C THR A 112 -3.244 -7.140 -25.823 1.00 73.30 C ATOM 1798 O THR A 112 -2.655 -7.336 -26.885 1.00 2.40 O ATOM 1799 CB THR A 112 -1.698 -7.396 -23.882 1.00 62.11 C ATOM 1800 OG1 THR A 112 -1.562 -6.954 -22.526 1.00 61.23 O ATOM 1801 CG2 THR A 112 -0.322 -7.540 -24.514 1.00 44.13 C ATOM 0 H THR A 112 -3.487 -6.012 -22.835 1.00 75.10 H new ATOM 0 HA THR A 112 -1.927 -5.616 -25.081 1.00 25.22 H new ATOM 0 HB THR A 112 -2.191 -8.368 -23.899 1.00 62.11 H new ATOM 0 HG1 THR A 112 -1.011 -7.593 -22.027 1.00 61.23 H new ATOM 0 HG21 THR A 112 0.272 -8.248 -23.936 1.00 44.13 H new ATOM 0 HG22 THR A 112 -0.427 -7.905 -25.536 1.00 44.13 H new ATOM 0 HG23 THR A 112 0.177 -6.571 -24.524 1.00 44.13 H new ATOM 1809 N GLY A 113 -4.490 -7.549 -25.602 1.00 61.25 N ATOM 1810 CA GLY A 113 -5.230 -8.262 -26.627 1.00 43.44 C ATOM 1811 C GLY A 113 -5.305 -7.490 -27.929 1.00 51.15 C ATOM 1812 O GLY A 113 -5.483 -8.076 -28.998 1.00 55.14 O ATOM 0 H GLY A 113 -5.000 -7.399 -24.731 1.00 61.25 H new ATOM 0 HA2 GLY A 113 -4.757 -9.227 -26.807 1.00 43.44 H new ATOM 0 HA3 GLY A 113 -6.240 -8.463 -26.269 1.00 43.44 H new ATOM 1816 N THR A 114 -5.171 -6.170 -27.843 1.00 43.31 N ATOM 1817 CA THR A 114 -5.227 -5.316 -29.023 1.00 33.42 C ATOM 1818 C THR A 114 -4.144 -5.693 -30.026 1.00 44.32 C ATOM 1819 O THR A 114 -4.324 -5.543 -31.234 1.00 64.21 O ATOM 1820 CB THR A 114 -5.073 -3.830 -28.649 1.00 61.22 C ATOM 1821 OG1 THR A 114 -5.326 -3.008 -29.795 1.00 21.33 O ATOM 1822 CG2 THR A 114 -3.676 -3.549 -28.116 1.00 31.44 C ATOM 0 H THR A 114 -5.023 -5.669 -26.967 1.00 43.31 H new ATOM 0 HA THR A 114 -6.206 -5.468 -29.477 1.00 33.42 H new ATOM 0 HB THR A 114 -5.797 -3.597 -27.868 1.00 61.22 H new ATOM 0 HG1 THR A 114 -5.228 -2.064 -29.549 1.00 21.33 H new ATOM 0 HG21 THR A 114 -3.590 -2.493 -27.858 1.00 31.44 H new ATOM 0 HG22 THR A 114 -3.497 -4.155 -27.228 1.00 31.44 H new ATOM 0 HG23 THR A 114 -2.939 -3.797 -28.879 1.00 31.44 H new ATOM 1830 N ALA A 115 -3.017 -6.181 -29.517 1.00 64.33 N ATOM 1831 CA ALA A 115 -1.904 -6.581 -30.369 1.00 71.22 C ATOM 1832 C ALA A 115 -1.655 -8.083 -30.279 1.00 0.04 C ATOM 1833 O ALA A 115 -0.509 -8.530 -30.247 1.00 61.15 O ATOM 1834 CB ALA A 115 -0.647 -5.813 -29.991 1.00 40.53 C ATOM 0 H ALA A 115 -2.851 -6.309 -28.519 1.00 64.33 H new ATOM 0 HA ALA A 115 -2.166 -6.344 -31.400 1.00 71.22 H new ATOM 0 HB1 ALA A 115 0.176 -6.122 -30.636 1.00 40.53 H new ATOM 0 HB2 ALA A 115 -0.823 -4.744 -30.114 1.00 40.53 H new ATOM 0 HB3 ALA A 115 -0.392 -6.021 -28.952 1.00 40.53 H new ATOM 1840 N GLU A 116 -2.736 -8.856 -30.235 1.00 50.00 N ATOM 1841 CA GLU A 116 -2.633 -10.308 -30.146 1.00 2.33 C ATOM 1842 C GLU A 116 -1.825 -10.869 -31.312 1.00 5.53 C ATOM 1843 O GLU A 116 -1.198 -11.923 -31.199 1.00 2.54 O ATOM 1844 CB GLU A 116 -4.026 -10.940 -30.126 1.00 50.21 C ATOM 1845 CG GLU A 116 -4.020 -12.413 -29.753 1.00 52.12 C ATOM 1846 CD GLU A 116 -5.343 -12.872 -29.171 1.00 32.42 C ATOM 1847 OE1 GLU A 116 -6.280 -12.050 -29.103 1.00 53.11 O ATOM 1848 OE2 GLU A 116 -5.440 -14.056 -28.783 1.00 31.01 O ATOM 0 H GLU A 116 -3.692 -8.501 -30.260 1.00 50.00 H new ATOM 0 HA GLU A 116 -2.117 -10.553 -29.218 1.00 2.33 H new ATOM 0 HB2 GLU A 116 -4.652 -10.397 -29.418 1.00 50.21 H new ATOM 0 HB3 GLU A 116 -4.482 -10.824 -31.109 1.00 50.21 H new ATOM 0 HG2 GLU A 116 -3.791 -13.007 -30.638 1.00 52.12 H new ATOM 0 HG3 GLU A 116 -3.225 -12.598 -29.030 1.00 52.12 H new ATOM 1855 N LYS A 117 -1.844 -10.157 -32.434 1.00 3.15 N ATOM 1856 CA LYS A 117 -1.113 -10.580 -33.622 1.00 71.32 C ATOM 1857 C LYS A 117 -0.531 -9.379 -34.361 1.00 60.11 C ATOM 1858 O LYS A 117 0.686 -9.210 -34.429 1.00 20.13 O ATOM 1859 CB LYS A 117 -2.032 -11.371 -34.556 1.00 42.21 C ATOM 1860 CG LYS A 117 -2.307 -12.788 -34.084 1.00 1.41 C ATOM 1861 CD LYS A 117 -1.228 -13.751 -34.550 1.00 40.53 C ATOM 1862 CE LYS A 117 -1.360 -14.060 -36.033 1.00 5.40 C ATOM 1863 NZ LYS A 117 -0.100 -13.770 -36.774 1.00 72.22 N ATOM 0 H LYS A 117 -2.359 -9.283 -32.545 1.00 3.15 H new ATOM 0 HA LYS A 117 -0.291 -11.220 -33.303 1.00 71.32 H new ATOM 0 HB2 LYS A 117 -2.979 -10.840 -34.655 1.00 42.21 H new ATOM 0 HB3 LYS A 117 -1.582 -11.409 -35.548 1.00 42.21 H new ATOM 0 HG2 LYS A 117 -2.365 -12.805 -32.996 1.00 1.41 H new ATOM 0 HG3 LYS A 117 -3.276 -13.116 -34.460 1.00 1.41 H new ATOM 0 HD2 LYS A 117 -0.246 -13.322 -34.353 1.00 40.53 H new ATOM 0 HD3 LYS A 117 -1.292 -14.676 -33.977 1.00 40.53 H new ATOM 0 HE2 LYS A 117 -1.625 -15.109 -36.163 1.00 5.40 H new ATOM 0 HE3 LYS A 117 -2.174 -13.471 -36.456 1.00 5.40 H new ATOM 0 HZ1 LYS A 117 -0.230 -13.994 -37.781 1.00 72.22 H new ATOM 0 HZ2 LYS A 117 0.139 -12.763 -36.671 1.00 72.22 H new ATOM 0 HZ3 LYS A 117 0.671 -14.351 -36.388 1.00 72.22 H new ATOM 1877 N MET A 118 -1.409 -8.547 -34.911 1.00 11.01 N ATOM 1878 CA MET A 118 -0.981 -7.359 -35.642 1.00 34.55 C ATOM 1879 C MET A 118 -1.641 -6.106 -35.076 1.00 51.51 C ATOM 1880 O MET A 118 -2.723 -6.155 -34.491 1.00 2.13 O ATOM 1881 CB MET A 118 -1.318 -7.501 -37.128 1.00 51.41 C ATOM 1882 CG MET A 118 -0.548 -8.611 -37.822 1.00 63.45 C ATOM 1883 SD MET A 118 -1.413 -9.259 -39.266 1.00 41.31 S ATOM 1884 CE MET A 118 -0.050 -9.968 -40.188 1.00 33.52 C ATOM 0 H MET A 118 -2.420 -8.673 -34.865 1.00 11.01 H new ATOM 0 HA MET A 118 0.099 -7.262 -35.529 1.00 34.55 H new ATOM 0 HB2 MET A 118 -2.386 -7.690 -37.233 1.00 51.41 H new ATOM 0 HB3 MET A 118 -1.110 -6.557 -37.631 1.00 51.41 H new ATOM 0 HG2 MET A 118 0.429 -8.235 -38.127 1.00 63.45 H new ATOM 0 HG3 MET A 118 -0.371 -9.422 -37.115 1.00 63.45 H new ATOM 0 HE1 MET A 118 -0.426 -10.410 -41.111 1.00 33.52 H new ATOM 0 HE2 MET A 118 0.673 -9.188 -40.427 1.00 33.52 H new ATOM 0 HE3 MET A 118 0.433 -10.739 -39.588 1.00 33.52 H new ATOM 1894 N PRO A 119 -0.975 -4.955 -35.253 1.00 13.34 N ATOM 1895 CA PRO A 119 -1.479 -3.667 -34.767 1.00 1.21 C ATOM 1896 C PRO A 119 -2.702 -3.193 -35.543 1.00 54.35 C ATOM 1897 O PRO A 119 -3.470 -2.360 -35.062 1.00 10.31 O ATOM 1898 CB PRO A 119 -0.300 -2.717 -34.994 1.00 3.44 C ATOM 1899 CG PRO A 119 0.477 -3.335 -36.104 1.00 64.41 C ATOM 1900 CD PRO A 119 0.320 -4.822 -35.942 1.00 21.34 C ATOM 0 HA PRO A 119 -1.806 -3.723 -33.729 1.00 1.21 H new ATOM 0 HB2 PRO A 119 -0.643 -1.717 -35.260 1.00 3.44 H new ATOM 0 HB3 PRO A 119 0.307 -2.617 -34.094 1.00 3.44 H new ATOM 0 HG2 PRO A 119 0.102 -3.006 -37.073 1.00 64.41 H new ATOM 0 HG3 PRO A 119 1.527 -3.046 -36.054 1.00 64.41 H new ATOM 0 HD2 PRO A 119 0.317 -5.333 -36.905 1.00 21.34 H new ATOM 0 HD3 PRO A 119 1.133 -5.250 -35.356 1.00 21.34 H new ATOM 1908 N SER A 120 -2.878 -3.728 -36.747 1.00 40.14 N ATOM 1909 CA SER A 120 -4.007 -3.357 -37.592 1.00 14.23 C ATOM 1910 C SER A 120 -5.290 -4.028 -37.111 1.00 5.23 C ATOM 1911 O SER A 120 -5.260 -5.128 -36.558 1.00 1.35 O ATOM 1912 CB SER A 120 -3.732 -3.741 -39.046 1.00 64.44 C ATOM 1913 OG SER A 120 -4.719 -3.207 -39.911 1.00 43.24 O ATOM 0 H SER A 120 -2.253 -4.420 -37.159 1.00 40.14 H new ATOM 0 HA SER A 120 -4.136 -2.277 -37.528 1.00 14.23 H new ATOM 0 HB2 SER A 120 -2.749 -3.375 -39.342 1.00 64.44 H new ATOM 0 HB3 SER A 120 -3.710 -4.827 -39.141 1.00 64.44 H new ATOM 0 HG SER A 120 -4.519 -3.466 -40.835 1.00 43.24 H new ATOM 1919 N THR A 121 -6.418 -3.358 -37.325 1.00 10.23 N ATOM 1920 CA THR A 121 -7.711 -3.888 -36.912 1.00 55.11 C ATOM 1921 C THR A 121 -8.029 -5.189 -37.639 1.00 31.33 C ATOM 1922 O THR A 121 -8.150 -5.214 -38.863 1.00 55.25 O ATOM 1923 CB THR A 121 -8.842 -2.876 -37.177 1.00 31.13 C ATOM 1924 OG1 THR A 121 -8.729 -2.350 -38.504 1.00 73.40 O ATOM 1925 CG2 THR A 121 -8.796 -1.737 -36.169 1.00 2.01 C ATOM 0 H THR A 121 -6.462 -2.447 -37.782 1.00 10.23 H new ATOM 0 HA THR A 121 -7.647 -4.080 -35.841 1.00 55.11 H new ATOM 0 HB THR A 121 -9.795 -3.395 -37.073 1.00 31.13 H new ATOM 0 HG1 THR A 121 -8.498 -3.073 -39.124 1.00 73.40 H new ATOM 0 HG21 THR A 121 -9.604 -1.035 -36.376 1.00 2.01 H new ATOM 0 HG22 THR A 121 -8.912 -2.137 -35.162 1.00 2.01 H new ATOM 0 HG23 THR A 121 -7.839 -1.221 -36.246 1.00 2.01 H new ATOM 1933 N SER A 122 -8.164 -6.270 -36.877 1.00 11.35 N ATOM 1934 CA SER A 122 -8.466 -7.576 -37.448 1.00 64.22 C ATOM 1935 C SER A 122 -9.416 -8.358 -36.547 1.00 63.51 C ATOM 1936 O SER A 122 -9.185 -8.483 -35.344 1.00 0.22 O ATOM 1937 CB SER A 122 -7.177 -8.372 -37.662 1.00 63.45 C ATOM 1938 OG SER A 122 -6.512 -7.959 -38.844 1.00 72.04 O ATOM 0 H SER A 122 -8.069 -6.266 -35.861 1.00 11.35 H new ATOM 0 HA SER A 122 -8.953 -7.420 -38.410 1.00 64.22 H new ATOM 0 HB2 SER A 122 -6.517 -8.239 -36.805 1.00 63.45 H new ATOM 0 HB3 SER A 122 -7.409 -9.435 -37.724 1.00 63.45 H new ATOM 0 HG SER A 122 -6.895 -7.113 -39.156 1.00 72.04 H new ATOM 1944 N ARG A 123 -10.484 -8.884 -37.137 1.00 52.22 N ATOM 1945 CA ARG A 123 -11.470 -9.653 -36.389 1.00 11.14 C ATOM 1946 C ARG A 123 -10.896 -10.999 -35.957 1.00 53.12 C ATOM 1947 O ARG A 123 -10.093 -11.612 -36.659 1.00 24.33 O ATOM 1948 CB ARG A 123 -12.728 -9.869 -37.232 1.00 75.21 C ATOM 1949 CG ARG A 123 -12.521 -10.816 -38.402 1.00 72.40 C ATOM 1950 CD ARG A 123 -13.327 -10.385 -39.618 1.00 50.10 C ATOM 1951 NE ARG A 123 -13.388 -11.433 -40.632 1.00 73.55 N ATOM 1952 CZ ARG A 123 -14.097 -12.549 -40.495 1.00 73.00 C ATOM 1953 NH1 ARG A 123 -14.800 -12.759 -39.392 1.00 23.44 N ATOM 1954 NH2 ARG A 123 -14.104 -13.455 -41.464 1.00 23.02 N ATOM 0 H ARG A 123 -10.688 -8.791 -38.132 1.00 52.22 H new ATOM 0 HA ARG A 123 -11.733 -9.086 -35.496 1.00 11.14 H new ATOM 0 HB2 ARG A 123 -13.520 -10.261 -36.594 1.00 75.21 H new ATOM 0 HB3 ARG A 123 -13.071 -8.906 -37.611 1.00 75.21 H new ATOM 0 HG2 ARG A 123 -11.463 -10.851 -38.660 1.00 72.40 H new ATOM 0 HG3 ARG A 123 -12.812 -11.825 -38.110 1.00 72.40 H new ATOM 0 HD2 ARG A 123 -14.338 -10.121 -39.308 1.00 50.10 H new ATOM 0 HD3 ARG A 123 -12.882 -9.489 -40.049 1.00 50.10 H new ATOM 0 HE ARG A 123 -12.857 -11.302 -41.493 1.00 73.55 H new ATOM 0 HH11 ARG A 123 -14.798 -12.064 -38.646 1.00 23.44 H new ATOM 0 HH12 ARG A 123 -15.343 -13.616 -39.289 1.00 23.44 H new ATOM 0 HH21 ARG A 123 -13.565 -13.296 -42.315 1.00 23.02 H new ATOM 0 HH22 ARG A 123 -14.648 -14.311 -41.358 1.00 23.02 H new ATOM 1968 N PRO A 124 -11.319 -11.471 -34.774 1.00 4.53 N ATOM 1969 CA PRO A 124 -10.859 -12.749 -34.223 1.00 1.33 C ATOM 1970 C PRO A 124 -11.399 -13.944 -35.002 1.00 4.33 C ATOM 1971 O PRO A 124 -12.266 -13.796 -35.864 1.00 31.34 O ATOM 1972 CB PRO A 124 -11.419 -12.743 -32.798 1.00 32.11 C ATOM 1973 CG PRO A 124 -12.607 -11.845 -32.862 1.00 44.22 C ATOM 1974 CD PRO A 124 -12.276 -10.793 -33.885 1.00 4.33 C ATOM 0 HA PRO A 124 -9.774 -12.846 -34.269 1.00 1.33 H new ATOM 0 HB2 PRO A 124 -11.698 -13.747 -32.478 1.00 32.11 H new ATOM 0 HB3 PRO A 124 -10.682 -12.374 -32.084 1.00 32.11 H new ATOM 0 HG2 PRO A 124 -13.501 -12.400 -33.148 1.00 44.22 H new ATOM 0 HG3 PRO A 124 -12.809 -11.395 -31.890 1.00 44.22 H new ATOM 0 HD2 PRO A 124 -13.164 -10.465 -34.426 1.00 4.33 H new ATOM 0 HD3 PRO A 124 -11.838 -9.908 -33.424 1.00 4.33 H new ATOM 1982 N THR A 125 -10.880 -15.128 -34.693 1.00 71.14 N ATOM 1983 CA THR A 125 -11.309 -16.348 -35.366 1.00 23.45 C ATOM 1984 C THR A 125 -12.667 -16.812 -34.849 1.00 71.34 C ATOM 1985 O THR A 125 -13.131 -16.361 -33.803 1.00 10.42 O ATOM 1986 CB THR A 125 -10.286 -17.484 -35.175 1.00 40.14 C ATOM 1987 OG1 THR A 125 -9.376 -17.152 -34.121 1.00 31.15 O ATOM 1988 CG2 THR A 125 -9.511 -17.735 -36.461 1.00 30.44 C ATOM 0 H THR A 125 -10.163 -15.268 -33.982 1.00 71.14 H new ATOM 0 HA THR A 125 -11.387 -16.113 -36.427 1.00 23.45 H new ATOM 0 HB THR A 125 -10.829 -18.392 -34.913 1.00 40.14 H new ATOM 0 HG1 THR A 125 -8.730 -17.880 -34.005 1.00 31.15 H new ATOM 0 HG21 THR A 125 -8.795 -18.541 -36.303 1.00 30.44 H new ATOM 0 HG22 THR A 125 -10.204 -18.016 -37.254 1.00 30.44 H new ATOM 0 HG23 THR A 125 -8.979 -16.828 -36.748 1.00 30.44 H new ATOM 1996 N ALA A 126 -13.300 -17.716 -35.591 1.00 41.43 N ATOM 1997 CA ALA A 126 -14.603 -18.242 -35.207 1.00 34.01 C ATOM 1998 C ALA A 126 -14.459 -19.421 -34.252 1.00 22.22 C ATOM 1999 O ALA A 126 -13.441 -20.112 -34.228 1.00 65.05 O ATOM 2000 CB ALA A 126 -15.391 -18.653 -36.442 1.00 14.22 C ATOM 0 H ALA A 126 -12.931 -18.099 -36.461 1.00 41.43 H new ATOM 0 HA ALA A 126 -15.148 -17.453 -34.688 1.00 34.01 H new ATOM 0 HB1 ALA A 126 -16.363 -19.044 -36.140 1.00 14.22 H new ATOM 0 HB2 ALA A 126 -15.533 -17.786 -37.088 1.00 14.22 H new ATOM 0 HB3 ALA A 126 -14.842 -19.423 -36.984 1.00 14.22 H new ATOM 2006 N PRO A 127 -15.502 -19.660 -33.443 1.00 1.41 N ATOM 2007 CA PRO A 127 -15.516 -20.756 -32.470 1.00 23.33 C ATOM 2008 C PRO A 127 -15.596 -22.124 -33.139 1.00 73.41 C ATOM 2009 O PRO A 127 -16.337 -22.310 -34.105 1.00 24.14 O ATOM 2010 CB PRO A 127 -16.779 -20.487 -31.649 1.00 52.42 C ATOM 2011 CG PRO A 127 -17.664 -19.709 -32.560 1.00 31.43 C ATOM 2012 CD PRO A 127 -16.750 -18.877 -33.416 1.00 2.35 C ATOM 0 HA PRO A 127 -14.603 -20.784 -31.875 1.00 23.33 H new ATOM 0 HB2 PRO A 127 -17.253 -21.417 -31.336 1.00 52.42 H new ATOM 0 HB3 PRO A 127 -16.550 -19.925 -30.744 1.00 52.42 H new ATOM 0 HG2 PRO A 127 -18.274 -20.373 -33.172 1.00 31.43 H new ATOM 0 HG3 PRO A 127 -18.349 -19.078 -31.994 1.00 31.43 H new ATOM 0 HD2 PRO A 127 -17.157 -18.734 -34.417 1.00 2.35 H new ATOM 0 HD3 PRO A 127 -16.593 -17.886 -32.991 1.00 2.35 H new ATOM 2020 N SER A 128 -14.832 -23.078 -32.619 1.00 45.13 N ATOM 2021 CA SER A 128 -14.814 -24.429 -33.170 1.00 30.22 C ATOM 2022 C SER A 128 -15.240 -25.449 -32.118 1.00 4.32 C ATOM 2023 O SER A 128 -15.704 -25.086 -31.038 1.00 15.11 O ATOM 2024 CB SER A 128 -13.419 -24.771 -33.694 1.00 43.11 C ATOM 2025 OG SER A 128 -12.836 -23.662 -34.356 1.00 60.40 O ATOM 0 H SER A 128 -14.217 -22.941 -31.817 1.00 45.13 H new ATOM 0 HA SER A 128 -15.523 -24.468 -33.997 1.00 30.22 H new ATOM 0 HB2 SER A 128 -12.782 -25.080 -32.865 1.00 43.11 H new ATOM 0 HB3 SER A 128 -13.482 -25.616 -34.380 1.00 43.11 H new ATOM 0 HG SER A 128 -11.944 -23.906 -34.680 1.00 60.40 H new ATOM 2031 N SER A 129 -15.076 -26.727 -32.443 1.00 32.13 N ATOM 2032 CA SER A 129 -15.446 -27.801 -31.528 1.00 62.43 C ATOM 2033 C SER A 129 -14.702 -27.668 -30.203 1.00 54.43 C ATOM 2034 O SER A 129 -13.548 -27.243 -30.168 1.00 61.22 O ATOM 2035 CB SER A 129 -15.145 -29.163 -32.160 1.00 14.23 C ATOM 2036 OG SER A 129 -16.308 -29.972 -32.204 1.00 74.00 O ATOM 0 H SER A 129 -14.690 -27.044 -33.332 1.00 32.13 H new ATOM 0 HA SER A 129 -16.516 -27.726 -31.333 1.00 62.43 H new ATOM 0 HB2 SER A 129 -14.758 -29.022 -33.169 1.00 14.23 H new ATOM 0 HB3 SER A 129 -14.367 -29.669 -31.588 1.00 14.23 H new ATOM 0 HG SER A 129 -16.091 -30.836 -32.613 1.00 74.00 H new ATOM 2042 N GLU A 130 -15.373 -28.032 -29.115 1.00 60.25 N ATOM 2043 CA GLU A 130 -14.776 -27.952 -27.788 1.00 15.23 C ATOM 2044 C GLU A 130 -15.104 -29.197 -26.967 1.00 55.51 C ATOM 2045 O GLU A 130 -16.166 -29.799 -27.130 1.00 2.25 O ATOM 2046 CB GLU A 130 -15.270 -26.701 -27.057 1.00 74.13 C ATOM 2047 CG GLU A 130 -14.284 -26.165 -26.033 1.00 71.03 C ATOM 2048 CD GLU A 130 -13.331 -25.142 -26.620 1.00 53.55 C ATOM 2049 OE1 GLU A 130 -13.760 -24.373 -27.507 1.00 34.30 O ATOM 2050 OE2 GLU A 130 -12.158 -25.109 -26.195 1.00 51.12 O ATOM 0 H GLU A 130 -16.330 -28.385 -29.127 1.00 60.25 H new ATOM 0 HA GLU A 130 -13.694 -27.891 -27.907 1.00 15.23 H new ATOM 0 HB2 GLU A 130 -15.480 -25.922 -27.790 1.00 74.13 H new ATOM 0 HB3 GLU A 130 -16.211 -26.930 -26.557 1.00 74.13 H new ATOM 0 HG2 GLU A 130 -14.833 -25.712 -25.208 1.00 71.03 H new ATOM 0 HG3 GLU A 130 -13.711 -26.994 -25.618 1.00 71.03 H new ATOM 2057 N LYS A 131 -14.186 -29.576 -26.085 1.00 53.45 N ATOM 2058 CA LYS A 131 -14.376 -30.746 -25.238 1.00 62.33 C ATOM 2059 C LYS A 131 -13.516 -30.654 -23.982 1.00 22.25 C ATOM 2060 O LYS A 131 -12.301 -30.482 -24.060 1.00 44.12 O ATOM 2061 CB LYS A 131 -14.032 -32.022 -26.011 1.00 42.13 C ATOM 2062 CG LYS A 131 -12.627 -32.023 -26.588 1.00 44.44 C ATOM 2063 CD LYS A 131 -12.523 -32.929 -27.803 1.00 61.23 C ATOM 2064 CE LYS A 131 -11.081 -33.320 -28.087 1.00 1.33 C ATOM 2065 NZ LYS A 131 -10.983 -34.323 -29.183 1.00 51.31 N ATOM 0 H LYS A 131 -13.302 -29.089 -25.938 1.00 53.45 H new ATOM 0 HA LYS A 131 -15.424 -30.780 -24.939 1.00 62.33 H new ATOM 0 HB2 LYS A 131 -14.144 -32.880 -25.348 1.00 42.13 H new ATOM 0 HB3 LYS A 131 -14.749 -32.150 -26.822 1.00 42.13 H new ATOM 0 HG2 LYS A 131 -12.346 -31.007 -26.866 1.00 44.44 H new ATOM 0 HG3 LYS A 131 -11.920 -32.352 -25.826 1.00 44.44 H new ATOM 0 HD2 LYS A 131 -13.119 -33.827 -27.640 1.00 61.23 H new ATOM 0 HD3 LYS A 131 -12.941 -32.422 -28.673 1.00 61.23 H new ATOM 0 HE2 LYS A 131 -10.510 -32.431 -28.356 1.00 1.33 H new ATOM 0 HE3 LYS A 131 -10.630 -33.726 -27.182 1.00 1.33 H new ATOM 0 HZ1 LYS A 131 -9.984 -34.563 -29.346 1.00 51.31 H new ATOM 0 HZ2 LYS A 131 -11.506 -35.181 -28.916 1.00 51.31 H new ATOM 0 HZ3 LYS A 131 -11.390 -33.926 -30.054 1.00 51.31 H new ATOM 2079 N GLY A 132 -14.156 -30.771 -22.822 1.00 55.31 N ATOM 2080 CA GLY A 132 -13.434 -30.699 -21.565 1.00 44.04 C ATOM 2081 C GLY A 132 -14.331 -30.933 -20.367 1.00 32.43 C ATOM 2082 O GLY A 132 -15.427 -30.380 -20.285 1.00 10.03 O ATOM 0 H GLY A 132 -15.162 -30.914 -22.731 1.00 55.31 H new ATOM 0 HA2 GLY A 132 -12.634 -31.439 -21.566 1.00 44.04 H new ATOM 0 HA3 GLY A 132 -12.962 -29.720 -21.476 1.00 44.04 H new ATOM 2086 N GLY A 133 -13.867 -31.758 -19.433 1.00 62.53 N ATOM 2087 CA GLY A 133 -14.648 -32.053 -18.247 1.00 10.44 C ATOM 2088 C GLY A 133 -14.032 -31.473 -16.988 1.00 71.55 C ATOM 2089 O GLY A 133 -14.301 -31.944 -15.884 1.00 2.05 O ATOM 0 H GLY A 133 -12.963 -32.228 -19.477 1.00 62.53 H new ATOM 0 HA2 GLY A 133 -15.655 -31.656 -18.371 1.00 10.44 H new ATOM 0 HA3 GLY A 133 -14.742 -33.133 -18.137 1.00 10.44 H new ATOM 2093 N ASN A 134 -13.202 -30.449 -17.155 1.00 43.14 N ATOM 2094 CA ASN A 134 -12.542 -29.807 -16.023 1.00 34.32 C ATOM 2095 C ASN A 134 -11.823 -30.836 -15.157 1.00 42.51 C ATOM 2096 O ASN A 134 -11.694 -32.000 -15.536 1.00 5.22 O ATOM 2097 CB ASN A 134 -13.564 -29.039 -15.181 1.00 73.10 C ATOM 2098 CG ASN A 134 -13.121 -27.619 -14.888 1.00 64.12 C ATOM 2099 OD1 ASN A 134 -12.403 -27.005 -15.678 1.00 60.21 O ATOM 2100 ND2 ASN A 134 -13.548 -27.089 -13.748 1.00 25.31 N ATOM 0 H ASN A 134 -12.970 -30.046 -18.063 1.00 43.14 H new ATOM 0 HA ASN A 134 -11.802 -29.108 -16.413 1.00 34.32 H new ATOM 0 HB2 ASN A 134 -14.520 -29.018 -15.705 1.00 73.10 H new ATOM 0 HB3 ASN A 134 -13.727 -29.567 -14.241 1.00 73.10 H new ATOM 0 HD21 ASN A 134 -13.282 -26.137 -13.497 1.00 25.31 H new ATOM 0 HD22 ASN A 134 -14.142 -27.634 -13.123 1.00 25.31 H new ATOM 2107 N TYR A 135 -11.357 -30.399 -13.992 1.00 52.41 N ATOM 2108 CA TYR A 135 -10.649 -31.280 -13.073 1.00 32.24 C ATOM 2109 C TYR A 135 -10.883 -30.860 -11.624 1.00 53.24 C ATOM 2110 O TYR A 135 -11.861 -30.166 -11.349 1.00 21.24 O ATOM 2111 CB TYR A 135 -9.151 -31.276 -13.380 1.00 2.21 C ATOM 2112 CG TYR A 135 -8.537 -32.657 -13.419 1.00 43.41 C ATOM 2113 CD1 TYR A 135 -8.037 -33.249 -12.265 1.00 71.52 C ATOM 2114 CD2 TYR A 135 -8.453 -33.369 -14.609 1.00 14.02 C ATOM 2115 CE1 TYR A 135 -7.474 -34.510 -12.296 1.00 41.20 C ATOM 2116 CE2 TYR A 135 -7.894 -34.631 -14.648 1.00 65.44 C ATOM 2117 CZ TYR A 135 -7.405 -35.198 -13.490 1.00 12.42 C ATOM 2118 OH TYR A 135 -6.845 -36.454 -13.525 1.00 33.33 O ATOM 0 H TYR A 135 -11.457 -29.439 -13.662 1.00 52.41 H new ATOM 0 HA TYR A 135 -11.038 -32.289 -13.207 1.00 32.24 H new ATOM 0 HB2 TYR A 135 -8.987 -30.787 -14.340 1.00 2.21 H new ATOM 0 HB3 TYR A 135 -8.636 -30.680 -12.627 1.00 2.21 H new ATOM 0 HD1 TYR A 135 -8.090 -32.714 -11.328 1.00 71.52 H new ATOM 0 HD2 TYR A 135 -8.831 -32.928 -15.519 1.00 14.02 H new ATOM 0 HE1 TYR A 135 -7.090 -34.955 -11.390 1.00 41.20 H new ATOM 0 HE2 TYR A 135 -7.840 -35.172 -15.581 1.00 65.44 H new ATOM 0 HH TYR A 135 -6.875 -36.800 -14.441 1.00 33.33 H new TER 2128 TYR A 135 HETATM 2129 C1 MYR A 1 7.702 10.634 1.699 1.00 22.45 C HETATM 2130 O2 MYR A 1 7.672 11.837 1.443 1.00 73.52 O HETATM 2131 C2 MYR A 1 8.358 9.690 0.689 1.00 14.35 C HETATM 2132 C3 MYR A 1 7.941 9.932 -0.779 1.00 44.34 C HETATM 2133 C4 MYR A 1 8.249 8.719 -1.677 1.00 52.20 C HETATM 2134 C5 MYR A 1 7.024 8.280 -2.500 1.00 32.13 C HETATM 2135 C6 MYR A 1 6.097 7.338 -1.707 1.00 51.15 C HETATM 2136 C7 MYR A 1 6.296 5.862 -2.098 1.00 71.13 C HETATM 2137 C8 MYR A 1 5.034 5.016 -1.841 1.00 40.22 C HETATM 2138 C9 MYR A 1 4.412 4.489 -3.148 1.00 74.44 C HETATM 2139 C10 MYR A 1 2.899 4.219 -3.007 1.00 0.42 C HETATM 2140 C11 MYR A 1 2.534 3.212 -1.896 1.00 3.10 C HETATM 2141 C12 MYR A 1 1.032 2.873 -1.814 1.00 74.51 C HETATM 2142 C13 MYR A 1 0.638 2.299 -0.441 1.00 33.10 C HETATM 2143 C14 MYR A 1 0.335 0.796 -0.517 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.490 0.626 -1.208 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.219 0.264 -0.869 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.061 0.430 0.472 1.00 14.12 H new HETATM 0 H132 MYR A 1 1.446 2.471 0.270 1.00 33.10 H new HETATM 0 H131 MYR A 1 -0.237 2.828 -0.064 1.00 33.10 H new HETATM 0 H122 MYR A 1 0.447 3.772 -2.011 1.00 74.51 H new HETATM 0 H121 MYR A 1 0.781 2.152 -2.592 1.00 74.51 H new HETATM 0 H112 MYR A 1 3.094 2.291 -2.059 1.00 3.10 H new HETATM 0 H111 MYR A 1 2.856 3.616 -0.936 1.00 3.10 H new HETATM 0 H102 MYR A 1 2.391 5.162 -2.807 1.00 0.42 H new HETATM 0 H101 MYR A 1 2.518 3.847 -3.958 1.00 0.42 H new HETATM 0 H92 MYR A 1 4.577 5.214 -3.945 1.00 74.44 H new HETATM 0 H91 MYR A 1 4.917 3.570 -3.444 1.00 74.44 H new HETATM 0 H82 MYR A 1 5.288 4.175 -1.196 1.00 40.22 H new HETATM 0 H81 MYR A 1 4.298 5.617 -1.307 1.00 40.22 H new HETATM 0 H72 MYR A 1 6.564 5.800 -3.153 1.00 71.13 H new HETATM 0 H71 MYR A 1 7.130 5.448 -1.532 1.00 71.13 H new HETATM 0 H62 MYR A 1 6.286 7.458 -0.640 1.00 51.15 H new HETATM 0 H61 MYR A 1 5.059 7.621 -1.881 1.00 51.15 H new HETATM 0 H52 MYR A 1 6.463 9.161 -2.812 1.00 32.13 H new HETATM 0 H51 MYR A 1 7.359 7.778 -3.408 1.00 32.13 H new HETATM 0 H42 MYR A 1 9.068 8.967 -2.352 1.00 52.20 H new HETATM 0 H41 MYR A 1 8.586 7.887 -1.058 1.00 52.20 H new HETATM 0 H32 MYR A 1 6.874 10.152 -0.821 1.00 44.34 H new HETATM 0 H31 MYR A 1 8.462 10.809 -1.164 1.00 44.34 H new HETATM 0 H22 MYR A 1 9.441 9.790 0.767 1.00 14.35 H new HETATM 0 H21 MYR A 1 8.113 8.663 0.958 1.00 14.35 H new HETATM 2171 P1 PBU A 300 9.624 -12.414 3.386 1.00 72.35 P HETATM 2172 P4 PBU A 300 5.512 -17.613 -1.879 1.00 22.32 P HETATM 2173 P5 PBU A 300 8.916 -14.629 -3.827 1.00 62.22 P HETATM 2174 C3' PBU A 300 9.850 -9.948 2.975 1.00 63.02 C HETATM 2175 C2' PBU A 300 10.534 -9.752 1.599 1.00 50.41 C HETATM 2176 O2' PBU A 300 9.662 -10.229 0.589 1.00 24.53 O HETATM 2177 C1' PBU A 300 11.878 -10.514 1.507 1.00 51.03 C HETATM 2178 O1' PBU A 300 12.643 -9.980 0.447 1.00 45.34 O HETATM 2179 C1 PBU A 300 8.195 -13.168 0.938 1.00 33.12 C HETATM 2180 O1 PBU A 300 9.323 -12.512 1.745 1.00 24.22 O HETATM 2181 C2 PBU A 300 7.299 -14.178 1.734 1.00 3.12 C HETATM 2182 O2 PBU A 300 8.047 -15.222 2.351 1.00 71.53 O HETATM 2183 C3 PBU A 300 6.230 -14.802 0.809 1.00 24.21 C HETATM 2184 O3 PBU A 300 5.452 -15.717 1.594 1.00 12.10 O HETATM 2185 C4 PBU A 300 6.892 -15.509 -0.437 1.00 34.12 C HETATM 2186 O4 PBU A 300 5.804 -16.063 -1.340 1.00 71.53 O HETATM 2187 C5 PBU A 300 7.777 -14.452 -1.209 1.00 4.05 C HETATM 2188 O5 PBU A 300 8.439 -15.124 -2.328 1.00 23.32 O HETATM 2189 C6 PBU A 300 8.853 -13.803 -0.301 1.00 40.42 C HETATM 2190 O6 PBU A 300 9.577 -12.761 -0.974 1.00 21.35 O HETATM 2191 C7 PBU A 300 9.640 -9.526 -0.641 1.00 21.44 C HETATM 2192 O7 PBU A 300 10.041 -10.051 -1.656 1.00 25.31 O HETATM 2193 C8 PBU A 300 9.086 -8.092 -0.689 1.00 50.23 C HETATM 2194 C9 PBU A 300 8.178 -7.913 -1.921 1.00 55.44 C HETATM 2195 C10 PBU A 300 7.010 -8.913 -1.845 1.00 62.23 C HETATM 2196 C11 PBU A 300 14.030 -10.207 0.338 1.00 4.12 C HETATM 2197 O11 PBU A 300 14.883 -9.548 0.901 1.00 0.52 O HETATM 2198 C12 PBU A 300 14.445 -11.357 -0.622 1.00 54.44 C HETATM 2199 C13 PBU A 300 15.595 -12.223 -0.080 1.00 55.14 C HETATM 2200 C14 PBU A 300 15.203 -13.711 -0.053 1.00 33.02 C HETATM 2201 O41 PBU A 300 4.087 -17.776 -1.356 1.00 42.55 O HETATM 2202 O42 PBU A 300 5.625 -17.546 -3.378 1.00 64.33 O HETATM 2203 O43 PBU A 300 6.540 -18.566 -1.291 1.00 61.34 O HETATM 2204 O51 PBU A 300 8.652 -15.890 -4.626 1.00 53.22 O HETATM 2205 O52 PBU A 300 8.028 -13.426 -4.098 1.00 43.44 O HETATM 2206 O53 PBU A 300 10.381 -14.311 -3.637 1.00 12.22 O HETATM 2207 OP1 PBU A 300 10.321 -11.108 3.628 1.00 22.13 O HETATM 2208 OP2 PBU A 300 8.228 -12.493 4.008 1.00 21.22 O HETATM 2209 OP3 PBU A 300 10.560 -13.566 3.645 1.00 43.53 O HETATM 0 H3'2 PBU A 300 10.036 -9.076 3.602 1.00 63.02 H new HETATM 0 H3'1 PBU A 300 8.771 -10.019 2.839 1.00 63.02 H new HETATM 0 H143 PBU A 300 14.333 -13.846 0.589 1.00 33.02 H new HETATM 0 H142 PBU A 300 14.964 -14.043 -1.063 1.00 33.02 H new HETATM 0 H141 PBU A 300 16.035 -14.299 0.334 1.00 33.02 H new HETATM 0 H132 PBU A 300 16.480 -12.088 -0.702 1.00 55.14 H new HETATM 0 H131 PBU A 300 15.859 -11.895 0.925 1.00 55.14 H new HETATM 0 H122 PBU A 300 13.580 -11.992 -0.810 1.00 54.44 H new HETATM 0 H121 PBU A 300 14.742 -10.931 -1.580 1.00 54.44 H new HETATM 0 H1'2 PBU A 300 12.425 -10.426 2.446 1.00 51.03 H new HETATM 0 H1'1 PBU A 300 11.697 -11.576 1.342 1.00 51.03 H new HETATM 0 H92 PBU A 300 7.796 -6.893 -1.960 1.00 55.44 H new HETATM 0 H91 PBU A 300 8.750 -8.074 -2.835 1.00 55.44 H new HETATM 0 H82 PBU A 300 8.523 -7.881 0.220 1.00 50.23 H new HETATM 0 H81 PBU A 300 9.908 -7.378 -0.728 1.00 50.23 H new HETATM 0 H6 PBU A 300 9.539 -14.603 -0.023 1.00 40.42 H new HETATM 0 H5 PBU A 300 7.119 -13.656 -1.557 1.00 4.05 H new HETATM 0 H4 PBU A 300 7.525 -16.336 -0.114 1.00 34.12 H new HETATM 0 H3 PBU A 300 5.582 -14.025 0.403 1.00 24.21 H new HETATM 0 H2' PBU A 300 10.744 -8.690 1.470 1.00 50.41 H new HETATM 0 H2 PBU A 300 6.823 -13.599 2.526 1.00 3.12 H new HETATM 0 H13 PBU A 300 7.402 -9.930 -1.827 1.00 62.23 H new HETATM 0 H12 PBU A 300 6.433 -8.730 -0.938 1.00 62.23 H new HETATM 0 H11 PBU A 300 6.367 -8.788 -2.716 1.00 62.23 H new HETATM 0 H1 PBU A 300 7.474 -12.400 0.658 1.00 33.12 H new HETATM 0 H06 PBU A 300 9.822 -12.064 -0.330 1.00 21.35 H new HETATM 0 H03 PBU A 300 6.001 -16.069 2.326 1.00 12.10 H new HETATM 0 H02 PBU A 300 8.648 -15.628 1.692 1.00 71.53 H new