USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 LYS NZ :NH3+ 158:sc= -1.5 (180deg=-2.72!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -159:sc= -0.0997 (180deg=-0.525) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= -1.26 K(o=-1.3,f=-9.7!) USER MOD Set 3.1: A 2 THR OG1 : rot 86:sc= 0.423 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= -1.08 USER MOD Single : A 1 ILE N :NH3+ 151:sc= -0.11 (180deg=-0.525) USER MOD Single : A 4 TYR OH : rot 115:sc= 0.00169 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -119:sc= -0.141 USER MOD Single : A 11 THR OG1 : rot -73:sc= 0.236 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.13 F(o=-3.4!,f=-0.13) USER MOD Single : A 20 ASN : amide:sc= -0.74 X(o=-0.74,f=-0.43) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 0.504 (180deg=0.329) USER MOD Single : A 26 THR OG1 : rot 29:sc= -1.51! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -111:sc= 0.508 USER MOD Single : A 54 GLN : amide:sc= -14.8! C(o=-15!,f=-26!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0253 (180deg=-0.181) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0118 F(o=-1.1,f=-0.012) USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -0.123 (180deg=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 15.804 4.733 -0.282 1.00 0.29 N ATOM 2 CA ILE A 1 14.468 4.585 -0.915 1.00 0.23 C ATOM 3 C ILE A 1 13.360 5.069 0.012 1.00 0.20 C ATOM 4 O ILE A 1 13.470 4.969 1.231 1.00 0.27 O ATOM 5 CB ILE A 1 14.187 3.117 -1.295 1.00 0.22 C ATOM 6 CG1 ILE A 1 12.750 2.958 -1.799 1.00 0.20 C ATOM 7 CG2 ILE A 1 14.440 2.205 -0.106 1.00 0.28 C ATOM 8 CD1 ILE A 1 12.380 1.539 -2.167 1.00 0.19 C ATOM 0 H1 ILE A 1 16.447 4.005 -0.654 1.00 0.29 H new ATOM 0 H2 ILE A 1 16.187 5.676 -0.497 1.00 0.29 H new ATOM 0 H3 ILE A 1 15.714 4.622 0.748 1.00 0.29 H new ATOM 0 HA ILE A 1 14.480 5.197 -1.817 1.00 0.23 H new ATOM 0 HB ILE A 1 14.865 2.832 -2.099 1.00 0.22 H new ATOM 0 HG12 ILE A 1 12.065 3.313 -1.029 1.00 0.20 H new ATOM 0 HG13 ILE A 1 12.609 3.597 -2.671 1.00 0.20 H new ATOM 0 HG21 ILE A 1 14.237 1.172 -0.390 1.00 0.28 H new ATOM 0 HG22 ILE A 1 15.479 2.297 0.209 1.00 0.28 H new ATOM 0 HG23 ILE A 1 13.785 2.490 0.717 1.00 0.28 H new ATOM 0 HD11 ILE A 1 11.347 1.511 -2.514 1.00 0.19 H new ATOM 0 HD12 ILE A 1 13.039 1.185 -2.960 1.00 0.19 H new ATOM 0 HD13 ILE A 1 12.486 0.897 -1.293 1.00 0.19 H new ATOM 22 N THR A 2 12.293 5.587 -0.584 1.00 0.18 N ATOM 23 CA THR A 2 11.153 6.080 0.164 1.00 0.17 C ATOM 24 C THR A 2 9.855 5.516 -0.402 1.00 0.20 C ATOM 25 O THR A 2 9.782 5.172 -1.580 1.00 0.27 O ATOM 26 CB THR A 2 11.086 7.614 0.126 1.00 0.19 C ATOM 27 OG1 THR A 2 11.470 8.091 -1.169 1.00 0.26 O ATOM 28 CG2 THR A 2 11.988 8.223 1.187 1.00 0.19 C ATOM 0 H THR A 2 12.198 5.675 -1.596 1.00 0.18 H new ATOM 0 HA THR A 2 11.276 5.753 1.197 1.00 0.17 H new ATOM 0 HB THR A 2 10.059 7.915 0.332 1.00 0.19 H new ATOM 0 HG1 THR A 2 10.688 8.099 -1.760 1.00 0.26 H new ATOM 0 HG21 THR A 2 11.923 9.310 1.140 1.00 0.19 H new ATOM 0 HG22 THR A 2 11.671 7.883 2.173 1.00 0.19 H new ATOM 0 HG23 THR A 2 13.018 7.913 1.010 1.00 0.19 H new ATOM 36 N CYS A 3 8.836 5.419 0.443 1.00 0.16 N ATOM 37 CA CYS A 3 7.538 4.900 0.020 1.00 0.19 C ATOM 38 C CYS A 3 6.418 5.657 0.727 1.00 0.19 C ATOM 39 O CYS A 3 6.644 6.272 1.769 1.00 0.27 O ATOM 40 CB CYS A 3 7.428 3.400 0.324 1.00 0.24 C ATOM 41 SG CYS A 3 9.022 2.513 0.318 1.00 0.41 S ATOM 0 H CYS A 3 8.882 5.692 1.425 1.00 0.16 H new ATOM 0 HA CYS A 3 7.444 5.043 -1.057 1.00 0.19 H new ATOM 0 HB2 CYS A 3 6.958 3.273 1.299 1.00 0.24 H new ATOM 0 HB3 CYS A 3 6.767 2.940 -0.411 1.00 0.24 H new ATOM 46 N TYR A 4 5.210 5.613 0.168 1.00 0.16 N ATOM 47 CA TYR A 4 4.080 6.310 0.765 1.00 0.18 C ATOM 48 C TYR A 4 3.312 5.407 1.721 1.00 0.23 C ATOM 49 O TYR A 4 3.063 4.241 1.423 1.00 0.26 O ATOM 50 CB TYR A 4 3.151 6.831 -0.325 1.00 0.20 C ATOM 51 CG TYR A 4 3.717 8.012 -1.081 1.00 0.20 C ATOM 52 CD1 TYR A 4 4.172 9.134 -0.405 1.00 0.31 C ATOM 53 CD2 TYR A 4 3.799 8.003 -2.469 1.00 0.33 C ATOM 54 CE1 TYR A 4 4.693 10.217 -1.088 1.00 0.36 C ATOM 55 CE2 TYR A 4 4.320 9.081 -3.159 1.00 0.35 C ATOM 56 CZ TYR A 4 4.750 10.182 -2.481 1.00 0.28 C ATOM 57 OH TYR A 4 5.288 11.260 -3.147 1.00 0.35 O ATOM 0 H TYR A 4 4.993 5.106 -0.690 1.00 0.16 H new ATOM 0 HA TYR A 4 4.469 7.151 1.339 1.00 0.18 H new ATOM 0 HB2 TYR A 4 2.940 6.026 -1.029 1.00 0.20 H new ATOM 0 HB3 TYR A 4 2.200 7.118 0.124 1.00 0.20 H new ATOM 0 HD1 TYR A 4 4.118 9.162 0.673 1.00 0.31 H new ATOM 0 HD2 TYR A 4 3.450 7.140 -3.016 1.00 0.33 H new ATOM 0 HE1 TYR A 4 5.052 11.081 -0.549 1.00 0.36 H new ATOM 0 HE2 TYR A 4 4.386 9.051 -4.237 1.00 0.35 H new ATOM 0 HH TYR A 4 6.110 10.985 -3.605 1.00 0.35 H new ATOM 67 N LYS A 5 2.948 5.959 2.874 1.00 0.32 N ATOM 68 CA LYS A 5 2.204 5.211 3.884 1.00 0.40 C ATOM 69 C LYS A 5 0.706 5.219 3.585 1.00 0.49 C ATOM 70 O LYS A 5 0.234 6.002 2.767 1.00 0.86 O ATOM 71 CB LYS A 5 2.464 5.798 5.273 1.00 0.58 C ATOM 72 CG LYS A 5 3.938 5.864 5.640 1.00 0.92 C ATOM 73 CD LYS A 5 4.574 4.483 5.651 1.00 1.68 C ATOM 74 CE LYS A 5 6.054 4.553 5.991 1.00 2.11 C ATOM 75 NZ LYS A 5 6.670 3.199 6.066 1.00 2.69 N ATOM 0 H LYS A 5 3.156 6.923 3.133 1.00 0.32 H new ATOM 0 HA LYS A 5 2.550 4.178 3.861 1.00 0.40 H new ATOM 0 HB2 LYS A 5 2.041 6.802 5.319 1.00 0.58 H new ATOM 0 HB3 LYS A 5 1.940 5.197 6.016 1.00 0.58 H new ATOM 0 HG2 LYS A 5 4.463 6.501 4.928 1.00 0.92 H new ATOM 0 HG3 LYS A 5 4.049 6.324 6.622 1.00 0.92 H new ATOM 0 HD2 LYS A 5 4.062 3.852 6.377 1.00 1.68 H new ATOM 0 HD3 LYS A 5 4.446 4.015 4.675 1.00 1.68 H new ATOM 0 HE2 LYS A 5 6.572 5.147 5.238 1.00 2.11 H new ATOM 0 HE3 LYS A 5 6.184 5.065 6.945 1.00 2.11 H new ATOM 0 HZ1 LYS A 5 7.679 3.289 6.300 1.00 2.69 H new ATOM 0 HZ2 LYS A 5 6.193 2.641 6.802 1.00 2.69 H new ATOM 0 HZ3 LYS A 5 6.569 2.720 5.148 1.00 2.69 H new ATOM 89 N THR A 6 -0.031 4.335 4.251 1.00 0.46 N ATOM 90 CA THR A 6 -1.476 4.230 4.058 1.00 0.50 C ATOM 91 C THR A 6 -2.256 5.307 4.824 1.00 0.60 C ATOM 92 O THR A 6 -3.109 5.979 4.241 1.00 0.64 O ATOM 93 CB THR A 6 -1.995 2.844 4.487 1.00 0.57 C ATOM 94 OG1 THR A 6 -1.332 1.820 3.742 1.00 1.51 O ATOM 95 CG2 THR A 6 -3.500 2.737 4.278 1.00 1.08 C ATOM 0 H THR A 6 0.350 3.678 4.932 1.00 0.46 H new ATOM 0 HA THR A 6 -1.644 4.378 2.991 1.00 0.50 H new ATOM 0 HB THR A 6 -1.783 2.716 5.548 1.00 0.57 H new ATOM 0 HG1 THR A 6 -1.992 1.310 3.227 1.00 1.51 H new ATOM 0 HG21 THR A 6 -3.841 1.749 4.588 1.00 1.08 H new ATOM 0 HG22 THR A 6 -4.005 3.499 4.872 1.00 1.08 H new ATOM 0 HG23 THR A 6 -3.732 2.886 3.224 1.00 1.08 H new ATOM 103 N PRO A 7 -1.988 5.489 6.137 1.00 0.71 N ATOM 104 CA PRO A 7 -2.702 6.476 6.959 1.00 0.85 C ATOM 105 C PRO A 7 -2.853 7.835 6.292 1.00 0.81 C ATOM 106 O PRO A 7 -2.002 8.259 5.517 1.00 0.76 O ATOM 107 CB PRO A 7 -1.830 6.591 8.202 1.00 0.97 C ATOM 108 CG PRO A 7 -1.220 5.244 8.337 1.00 1.03 C ATOM 109 CD PRO A 7 -0.973 4.763 6.931 1.00 0.76 C ATOM 0 HA PRO A 7 -3.727 6.159 7.153 1.00 0.85 H new ATOM 0 HB2 PRO A 7 -1.070 7.364 8.087 1.00 0.97 H new ATOM 0 HB3 PRO A 7 -2.420 6.852 9.081 1.00 0.97 H new ATOM 0 HG2 PRO A 7 -0.290 5.291 8.903 1.00 1.03 H new ATOM 0 HG3 PRO A 7 -1.885 4.565 8.871 1.00 1.03 H new ATOM 0 HD2 PRO A 7 0.039 4.996 6.599 1.00 0.76 H new ATOM 0 HD3 PRO A 7 -1.095 3.683 6.848 1.00 0.76 H new ATOM 117 N ILE A 8 -3.953 8.502 6.633 1.00 0.89 N ATOM 118 CA ILE A 8 -4.292 9.829 6.112 1.00 0.90 C ATOM 119 C ILE A 8 -3.059 10.671 5.770 1.00 0.81 C ATOM 120 O ILE A 8 -2.976 11.208 4.665 1.00 0.77 O ATOM 121 CB ILE A 8 -5.180 10.606 7.111 1.00 1.04 C ATOM 122 CG1 ILE A 8 -6.522 9.892 7.293 1.00 1.15 C ATOM 123 CG2 ILE A 8 -5.390 12.039 6.639 1.00 1.08 C ATOM 124 CD1 ILE A 8 -7.385 10.486 8.386 1.00 1.82 C ATOM 0 H ILE A 8 -4.644 8.134 7.287 1.00 0.89 H new ATOM 0 HA ILE A 8 -4.841 9.655 5.187 1.00 0.90 H new ATOM 0 HB ILE A 8 -4.673 10.638 8.075 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -7.071 9.924 6.352 1.00 1.15 H new ATOM 0 HG13 ILE A 8 -6.337 8.842 7.519 1.00 1.15 H new ATOM 0 HG21 ILE A 8 -6.017 12.570 7.355 1.00 1.08 H new ATOM 0 HG22 ILE A 8 -4.426 12.541 6.560 1.00 1.08 H new ATOM 0 HG23 ILE A 8 -5.877 12.033 5.664 1.00 1.08 H new ATOM 0 HD11 ILE A 8 -8.319 9.928 8.456 1.00 1.82 H new ATOM 0 HD12 ILE A 8 -6.857 10.430 9.338 1.00 1.82 H new ATOM 0 HD13 ILE A 8 -7.602 11.528 8.152 1.00 1.82 H new ATOM 136 N PRO A 9 -2.095 10.833 6.707 1.00 0.81 N ATOM 137 CA PRO A 9 -0.878 11.613 6.445 1.00 0.75 C ATOM 138 C PRO A 9 0.069 10.914 5.478 1.00 0.61 C ATOM 139 O PRO A 9 1.284 10.943 5.666 1.00 0.56 O ATOM 140 CB PRO A 9 -0.228 11.725 7.821 1.00 0.84 C ATOM 141 CG PRO A 9 -0.697 10.512 8.540 1.00 0.89 C ATOM 142 CD PRO A 9 -2.113 10.312 8.090 1.00 0.90 C ATOM 0 HA PRO A 9 -1.107 12.571 5.979 1.00 0.75 H new ATOM 0 HB2 PRO A 9 0.859 11.750 7.748 1.00 0.84 H new ATOM 0 HB3 PRO A 9 -0.534 12.637 8.334 1.00 0.84 H new ATOM 0 HG2 PRO A 9 -0.080 9.647 8.297 1.00 0.89 H new ATOM 0 HG3 PRO A 9 -0.642 10.649 9.620 1.00 0.89 H new ATOM 0 HD2 PRO A 9 -2.403 9.262 8.123 1.00 0.90 H new ATOM 0 HD3 PRO A 9 -2.818 10.857 8.718 1.00 0.90 H new ATOM 150 N ILE A 10 -0.496 10.272 4.459 1.00 0.58 N ATOM 151 CA ILE A 10 0.290 9.580 3.453 1.00 0.46 C ATOM 152 C ILE A 10 1.498 10.409 3.051 1.00 0.36 C ATOM 153 O ILE A 10 1.389 11.366 2.285 1.00 0.40 O ATOM 154 CB ILE A 10 -0.556 9.260 2.209 1.00 0.52 C ATOM 155 CG1 ILE A 10 -1.728 8.366 2.617 1.00 0.68 C ATOM 156 CG2 ILE A 10 0.303 8.595 1.140 1.00 0.54 C ATOM 157 CD1 ILE A 10 -2.850 8.302 1.609 1.00 0.61 C ATOM 0 H ILE A 10 -1.504 10.219 4.312 1.00 0.58 H new ATOM 0 HA ILE A 10 0.631 8.642 3.891 1.00 0.46 H new ATOM 0 HB ILE A 10 -0.950 10.183 1.784 1.00 0.52 H new ATOM 0 HG12 ILE A 10 -1.355 7.357 2.790 1.00 0.68 H new ATOM 0 HG13 ILE A 10 -2.129 8.725 3.565 1.00 0.68 H new ATOM 0 HG21 ILE A 10 -0.310 8.375 0.266 1.00 0.54 H new ATOM 0 HG22 ILE A 10 1.113 9.266 0.855 1.00 0.54 H new ATOM 0 HG23 ILE A 10 0.721 7.668 1.533 1.00 0.54 H new ATOM 0 HD11 ILE A 10 -3.637 7.646 1.981 1.00 0.61 H new ATOM 0 HD12 ILE A 10 -3.255 9.302 1.452 1.00 0.61 H new ATOM 0 HD13 ILE A 10 -2.469 7.912 0.665 1.00 0.61 H new ATOM 169 N THR A 11 2.647 10.028 3.583 1.00 0.30 N ATOM 170 CA THR A 11 3.885 10.732 3.310 1.00 0.27 C ATOM 171 C THR A 11 4.970 9.773 2.853 1.00 0.22 C ATOM 172 O THR A 11 4.856 8.557 3.021 1.00 0.24 O ATOM 173 CB THR A 11 4.380 11.491 4.556 1.00 0.33 C ATOM 174 OG1 THR A 11 4.300 10.645 5.710 1.00 0.38 O ATOM 175 CG2 THR A 11 3.562 12.752 4.785 1.00 0.39 C ATOM 0 H THR A 11 2.746 9.230 4.210 1.00 0.30 H new ATOM 0 HA THR A 11 3.677 11.446 2.514 1.00 0.27 H new ATOM 0 HB THR A 11 5.418 11.779 4.389 1.00 0.33 H new ATOM 0 HG1 THR A 11 3.362 10.536 5.971 1.00 0.38 H new ATOM 0 HG21 THR A 11 3.931 13.270 5.670 1.00 0.39 H new ATOM 0 HG22 THR A 11 3.652 13.407 3.918 1.00 0.39 H new ATOM 0 HG23 THR A 11 2.515 12.485 4.931 1.00 0.39 H new ATOM 183 N SER A 12 6.017 10.334 2.267 1.00 0.21 N ATOM 184 CA SER A 12 7.141 9.546 1.784 1.00 0.20 C ATOM 185 C SER A 12 8.183 9.394 2.885 1.00 0.25 C ATOM 186 O SER A 12 8.634 10.382 3.465 1.00 0.37 O ATOM 187 CB SER A 12 7.756 10.209 0.551 1.00 0.26 C ATOM 188 OG SER A 12 9.140 9.928 0.453 1.00 0.58 O ATOM 0 H SER A 12 6.112 11.338 2.114 1.00 0.21 H new ATOM 0 HA SER A 12 6.786 8.555 1.503 1.00 0.20 H new ATOM 0 HB2 SER A 12 7.247 9.857 -0.346 1.00 0.26 H new ATOM 0 HB3 SER A 12 7.604 11.287 0.601 1.00 0.26 H new ATOM 0 HG SER A 12 9.506 10.363 -0.345 1.00 0.58 H new ATOM 194 N GLU A 13 8.562 8.153 3.171 1.00 0.19 N ATOM 195 CA GLU A 13 9.535 7.883 4.227 1.00 0.26 C ATOM 196 C GLU A 13 10.479 6.752 3.839 1.00 0.19 C ATOM 197 O GLU A 13 10.115 5.858 3.075 1.00 0.16 O ATOM 198 CB GLU A 13 8.819 7.536 5.535 1.00 0.36 C ATOM 199 CG GLU A 13 7.954 8.666 6.072 1.00 1.32 C ATOM 200 CD GLU A 13 7.361 8.352 7.431 1.00 1.92 C ATOM 201 OE1 GLU A 13 6.278 7.734 7.478 1.00 2.55 O ATOM 202 OE2 GLU A 13 7.982 8.725 8.449 1.00 2.36 O ATOM 0 H GLU A 13 8.214 7.323 2.691 1.00 0.19 H new ATOM 0 HA GLU A 13 10.127 8.787 4.369 1.00 0.26 H new ATOM 0 HB2 GLU A 13 8.196 6.656 5.376 1.00 0.36 H new ATOM 0 HB3 GLU A 13 9.562 7.269 6.287 1.00 0.36 H new ATOM 0 HG2 GLU A 13 8.552 9.574 6.142 1.00 1.32 H new ATOM 0 HG3 GLU A 13 7.148 8.868 5.366 1.00 1.32 H new ATOM 209 N THR A 14 11.694 6.797 4.378 1.00 0.23 N ATOM 210 CA THR A 14 12.697 5.785 4.087 1.00 0.20 C ATOM 211 C THR A 14 12.415 4.490 4.842 1.00 0.21 C ATOM 212 O THR A 14 11.829 4.504 5.925 1.00 0.24 O ATOM 213 CB THR A 14 14.111 6.279 4.441 1.00 0.23 C ATOM 214 OG1 THR A 14 14.334 7.577 3.874 1.00 0.29 O ATOM 215 CG2 THR A 14 15.166 5.313 3.925 1.00 0.25 C ATOM 0 H THR A 14 12.005 7.526 5.020 1.00 0.23 H new ATOM 0 HA THR A 14 12.646 5.591 3.016 1.00 0.20 H new ATOM 0 HB THR A 14 14.189 6.336 5.527 1.00 0.23 H new ATOM 0 HG1 THR A 14 15.235 7.885 4.105 1.00 0.29 H new ATOM 0 HG21 THR A 14 16.157 5.683 4.187 1.00 0.25 H new ATOM 0 HG22 THR A 14 15.014 4.333 4.376 1.00 0.25 H new ATOM 0 HG23 THR A 14 15.084 5.230 2.841 1.00 0.25 H new ATOM 223 N CYS A 15 12.839 3.373 4.259 1.00 0.23 N ATOM 224 CA CYS A 15 12.634 2.063 4.861 1.00 0.29 C ATOM 225 C CYS A 15 13.671 1.788 5.942 1.00 0.28 C ATOM 226 O CYS A 15 14.571 2.594 6.177 1.00 0.29 O ATOM 227 CB CYS A 15 12.706 0.979 3.787 1.00 0.35 C ATOM 228 SG CYS A 15 11.594 1.268 2.374 1.00 0.81 S ATOM 0 H CYS A 15 13.329 3.351 3.365 1.00 0.23 H new ATOM 0 HA CYS A 15 11.647 2.052 5.323 1.00 0.29 H new ATOM 0 HB2 CYS A 15 13.731 0.910 3.422 1.00 0.35 H new ATOM 0 HB3 CYS A 15 12.462 0.017 4.238 1.00 0.35 H new ATOM 233 N ALA A 16 13.533 0.641 6.595 1.00 0.34 N ATOM 234 CA ALA A 16 14.454 0.243 7.650 1.00 0.36 C ATOM 235 C ALA A 16 15.672 -0.462 7.061 1.00 0.32 C ATOM 236 O ALA A 16 15.612 -0.971 5.942 1.00 0.29 O ATOM 237 CB ALA A 16 13.746 -0.659 8.652 1.00 0.39 C ATOM 0 H ALA A 16 12.789 -0.032 6.411 1.00 0.34 H new ATOM 0 HA ALA A 16 14.797 1.138 8.169 1.00 0.36 H new ATOM 0 HB1 ALA A 16 14.445 -0.950 9.436 1.00 0.39 H new ATOM 0 HB2 ALA A 16 12.907 -0.123 9.095 1.00 0.39 H new ATOM 0 HB3 ALA A 16 13.379 -1.551 8.143 1.00 0.39 H new ATOM 243 N PRO A 17 16.800 -0.502 7.798 1.00 0.38 N ATOM 244 CA PRO A 17 18.022 -1.155 7.324 1.00 0.40 C ATOM 245 C PRO A 17 17.768 -2.590 6.881 1.00 0.35 C ATOM 246 O PRO A 17 17.201 -3.391 7.624 1.00 0.36 O ATOM 247 CB PRO A 17 18.961 -1.125 8.538 1.00 0.50 C ATOM 248 CG PRO A 17 18.100 -0.751 9.700 1.00 0.61 C ATOM 249 CD PRO A 17 16.980 0.075 9.138 1.00 0.47 C ATOM 0 HA PRO A 17 18.435 -0.650 6.451 1.00 0.40 H new ATOM 0 HB2 PRO A 17 19.431 -2.096 8.694 1.00 0.50 H new ATOM 0 HB3 PRO A 17 19.764 -0.401 8.395 1.00 0.50 H new ATOM 0 HG2 PRO A 17 17.716 -1.639 10.202 1.00 0.61 H new ATOM 0 HG3 PRO A 17 18.667 -0.187 10.440 1.00 0.61 H new ATOM 0 HD2 PRO A 17 16.075 -0.006 9.740 1.00 0.47 H new ATOM 0 HD3 PRO A 17 17.239 1.133 9.093 1.00 0.47 H new ATOM 257 N GLY A 18 18.194 -2.906 5.663 1.00 0.36 N ATOM 258 CA GLY A 18 18.000 -4.239 5.128 1.00 0.35 C ATOM 259 C GLY A 18 16.920 -4.281 4.063 1.00 0.32 C ATOM 260 O GLY A 18 16.946 -5.136 3.177 1.00 0.34 O ATOM 0 H GLY A 18 18.672 -2.259 5.035 1.00 0.36 H new ATOM 0 HA2 GLY A 18 18.938 -4.598 4.705 1.00 0.35 H new ATOM 0 HA3 GLY A 18 17.735 -4.918 5.938 1.00 0.35 H new ATOM 264 N GLN A 19 15.968 -3.352 4.148 1.00 0.28 N ATOM 265 CA GLN A 19 14.875 -3.289 3.183 1.00 0.26 C ATOM 266 C GLN A 19 15.156 -2.244 2.110 1.00 0.20 C ATOM 267 O GLN A 19 15.823 -1.241 2.367 1.00 0.41 O ATOM 268 CB GLN A 19 13.555 -2.963 3.886 1.00 0.40 C ATOM 269 CG GLN A 19 13.475 -3.477 5.314 1.00 0.48 C ATOM 270 CD GLN A 19 12.049 -3.670 5.793 1.00 0.59 C ATOM 271 OE1 GLN A 19 11.122 -2.903 5.231 1.00 1.44 O flip ATOM 272 NE2 GLN A 19 11.782 -4.509 6.654 1.00 0.53 N flip ATOM 0 H GLN A 19 15.933 -2.636 4.873 1.00 0.28 H new ATOM 0 HA GLN A 19 14.794 -4.266 2.707 1.00 0.26 H new ATOM 0 HB2 GLN A 19 13.414 -1.882 3.891 1.00 0.40 H new ATOM 0 HB3 GLN A 19 12.733 -3.389 3.310 1.00 0.40 H new ATOM 0 HG2 GLN A 19 14.008 -4.425 5.384 1.00 0.48 H new ATOM 0 HG3 GLN A 19 13.984 -2.776 5.976 1.00 0.48 H new ATOM 0 HE21 GLN A 19 12.525 -5.078 7.060 1.00 0.53 H new ATOM 0 HE22 GLN A 19 10.818 -4.635 6.961 1.00 0.53 H new ATOM 281 N ASN A 20 14.644 -2.485 0.907 1.00 0.19 N ATOM 282 CA ASN A 20 14.838 -1.565 -0.205 1.00 0.21 C ATOM 283 C ASN A 20 13.655 -1.608 -1.167 1.00 0.17 C ATOM 284 O ASN A 20 13.754 -1.140 -2.302 1.00 0.21 O ATOM 285 CB ASN A 20 16.125 -1.909 -0.954 1.00 0.36 C ATOM 286 CG ASN A 20 17.369 -1.620 -0.138 1.00 1.26 C ATOM 287 OD1 ASN A 20 17.914 -0.517 -0.187 1.00 2.05 O ATOM 288 ND2 ASN A 20 17.827 -2.611 0.617 1.00 2.02 N ATOM 0 H ASN A 20 14.091 -3.311 0.679 1.00 0.19 H new ATOM 0 HA ASN A 20 14.914 -0.557 0.202 1.00 0.21 H new ATOM 0 HB2 ASN A 20 16.111 -2.964 -1.227 1.00 0.36 H new ATOM 0 HB3 ASN A 20 16.164 -1.340 -1.883 1.00 0.36 H new ATOM 0 HD21 ASN A 20 18.662 -2.474 1.187 1.00 2.02 H new ATOM 0 HD22 ASN A 20 17.344 -3.509 0.628 1.00 2.02 H new ATOM 295 N LEU A 21 12.536 -2.169 -0.714 1.00 0.18 N ATOM 296 CA LEU A 21 11.346 -2.265 -1.547 1.00 0.18 C ATOM 297 C LEU A 21 10.105 -1.801 -0.795 1.00 0.21 C ATOM 298 O LEU A 21 10.101 -1.717 0.431 1.00 0.39 O ATOM 299 CB LEU A 21 11.151 -3.707 -2.018 1.00 0.21 C ATOM 300 CG LEU A 21 10.266 -3.869 -3.251 1.00 0.70 C ATOM 301 CD1 LEU A 21 10.965 -3.311 -4.473 1.00 1.20 C ATOM 302 CD2 LEU A 21 9.911 -5.328 -3.467 1.00 1.31 C ATOM 0 H LEU A 21 12.431 -2.562 0.222 1.00 0.18 H new ATOM 0 HA LEU A 21 11.488 -1.614 -2.409 1.00 0.18 H new ATOM 0 HB2 LEU A 21 12.129 -4.139 -2.232 1.00 0.21 H new ATOM 0 HB3 LEU A 21 10.719 -4.285 -1.201 1.00 0.21 H new ATOM 0 HG LEU A 21 9.343 -3.312 -3.089 1.00 0.70 H new ATOM 0 HD11 LEU A 21 10.324 -3.432 -5.346 1.00 1.20 H new ATOM 0 HD12 LEU A 21 11.174 -2.252 -4.321 1.00 1.20 H new ATOM 0 HD13 LEU A 21 11.901 -3.846 -4.633 1.00 1.20 H new ATOM 0 HD21 LEU A 21 9.280 -5.422 -4.351 1.00 1.31 H new ATOM 0 HD22 LEU A 21 10.823 -5.907 -3.609 1.00 1.31 H new ATOM 0 HD23 LEU A 21 9.374 -5.705 -2.596 1.00 1.31 H new ATOM 314 N CYS A 22 9.060 -1.492 -1.549 1.00 0.20 N ATOM 315 CA CYS A 22 7.791 -1.054 -0.977 1.00 0.21 C ATOM 316 C CYS A 22 6.662 -1.925 -1.521 1.00 0.20 C ATOM 317 O CYS A 22 6.783 -2.490 -2.609 1.00 0.31 O ATOM 318 CB CYS A 22 7.518 0.416 -1.308 1.00 0.24 C ATOM 319 SG CYS A 22 9.011 1.457 -1.421 1.00 0.35 S ATOM 0 H CYS A 22 9.065 -1.537 -2.568 1.00 0.20 H new ATOM 0 HA CYS A 22 7.845 -1.154 0.107 1.00 0.21 H new ATOM 0 HB2 CYS A 22 6.982 0.468 -2.256 1.00 0.24 H new ATOM 0 HB3 CYS A 22 6.859 0.830 -0.545 1.00 0.24 H new ATOM 324 N TYR A 23 5.564 -2.031 -0.777 1.00 0.21 N ATOM 325 CA TYR A 23 4.441 -2.845 -1.218 1.00 0.20 C ATOM 326 C TYR A 23 3.118 -2.118 -1.051 1.00 0.19 C ATOM 327 O TYR A 23 2.939 -1.308 -0.137 1.00 0.20 O ATOM 328 CB TYR A 23 4.391 -4.181 -0.467 1.00 0.22 C ATOM 329 CG TYR A 23 4.041 -4.059 1.003 1.00 0.21 C ATOM 330 CD1 TYR A 23 2.713 -4.022 1.431 1.00 0.22 C ATOM 331 CD2 TYR A 23 5.040 -3.994 1.964 1.00 0.22 C ATOM 332 CE1 TYR A 23 2.401 -3.918 2.770 1.00 0.23 C ATOM 333 CE2 TYR A 23 4.733 -3.890 3.306 1.00 0.23 C ATOM 334 CZ TYR A 23 3.413 -3.853 3.704 1.00 0.23 C ATOM 335 OH TYR A 23 3.102 -3.751 5.041 1.00 0.25 O ATOM 0 H TYR A 23 5.431 -1.569 0.122 1.00 0.21 H new ATOM 0 HA TYR A 23 4.596 -3.041 -2.279 1.00 0.20 H new ATOM 0 HB2 TYR A 23 3.659 -4.828 -0.950 1.00 0.22 H new ATOM 0 HB3 TYR A 23 5.360 -4.672 -0.558 1.00 0.22 H new ATOM 0 HD1 TYR A 23 1.918 -4.076 0.702 1.00 0.22 H new ATOM 0 HD2 TYR A 23 6.075 -4.025 1.657 1.00 0.22 H new ATOM 0 HE1 TYR A 23 1.369 -3.888 3.086 1.00 0.23 H new ATOM 0 HE2 TYR A 23 5.523 -3.838 4.041 1.00 0.23 H new ATOM 0 HH TYR A 23 3.928 -3.717 5.567 1.00 0.25 H new ATOM 345 N THR A 24 2.203 -2.425 -1.957 1.00 0.18 N ATOM 346 CA THR A 24 0.867 -1.849 -1.944 1.00 0.18 C ATOM 347 C THR A 24 -0.177 -2.962 -1.977 1.00 0.16 C ATOM 348 O THR A 24 -0.460 -3.529 -3.030 1.00 0.18 O ATOM 349 CB THR A 24 0.643 -0.901 -3.140 1.00 0.22 C ATOM 350 OG1 THR A 24 1.534 0.217 -3.053 1.00 0.26 O ATOM 351 CG2 THR A 24 -0.796 -0.406 -3.178 1.00 0.25 C ATOM 0 H THR A 24 2.365 -3.080 -2.722 1.00 0.18 H new ATOM 0 HA THR A 24 0.766 -1.268 -1.027 1.00 0.18 H new ATOM 0 HB THR A 24 0.844 -1.456 -4.056 1.00 0.22 H new ATOM 0 HG1 THR A 24 1.386 0.813 -3.817 1.00 0.26 H new ATOM 0 HG21 THR A 24 -0.929 0.261 -4.030 1.00 0.25 H new ATOM 0 HG22 THR A 24 -1.471 -1.257 -3.274 1.00 0.25 H new ATOM 0 HG23 THR A 24 -1.020 0.133 -2.257 1.00 0.25 H new ATOM 359 N LYS A 25 -0.744 -3.261 -0.816 1.00 0.16 N ATOM 360 CA LYS A 25 -1.736 -4.317 -0.686 1.00 0.17 C ATOM 361 C LYS A 25 -3.155 -3.769 -0.799 1.00 0.16 C ATOM 362 O LYS A 25 -3.588 -2.988 0.039 1.00 0.19 O ATOM 363 CB LYS A 25 -1.557 -4.985 0.675 1.00 0.23 C ATOM 364 CG LYS A 25 -2.039 -6.417 0.735 1.00 0.35 C ATOM 365 CD LYS A 25 -0.885 -7.365 0.989 1.00 0.60 C ATOM 366 CE LYS A 25 -1.325 -8.574 1.798 1.00 0.69 C ATOM 367 NZ LYS A 25 -0.245 -9.590 1.919 1.00 0.75 N ATOM 0 H LYS A 25 -0.530 -2.780 0.058 1.00 0.16 H new ATOM 0 HA LYS A 25 -1.591 -5.035 -1.493 1.00 0.17 H new ATOM 0 HB2 LYS A 25 -0.501 -4.958 0.943 1.00 0.23 H new ATOM 0 HB3 LYS A 25 -2.092 -4.403 1.425 1.00 0.23 H new ATOM 0 HG2 LYS A 25 -2.782 -6.522 1.525 1.00 0.35 H new ATOM 0 HG3 LYS A 25 -2.531 -6.679 -0.202 1.00 0.35 H new ATOM 0 HD2 LYS A 25 -0.468 -7.695 0.038 1.00 0.60 H new ATOM 0 HD3 LYS A 25 -0.091 -6.840 1.520 1.00 0.60 H new ATOM 0 HE2 LYS A 25 -1.632 -8.252 2.793 1.00 0.69 H new ATOM 0 HE3 LYS A 25 -2.197 -9.027 1.327 1.00 0.69 H new ATOM 0 HZ1 LYS A 25 -0.494 -10.275 2.661 1.00 0.75 H new ATOM 0 HZ2 LYS A 25 -0.133 -10.087 1.012 1.00 0.75 H new ATOM 0 HZ3 LYS A 25 0.648 -9.119 2.169 1.00 0.75 H new ATOM 381 N THR A 26 -3.876 -4.192 -1.834 1.00 0.18 N ATOM 382 CA THR A 26 -5.247 -3.749 -2.051 1.00 0.21 C ATOM 383 C THR A 26 -6.231 -4.843 -1.657 1.00 0.24 C ATOM 384 O THR A 26 -6.062 -6.003 -2.029 1.00 0.28 O ATOM 385 CB THR A 26 -5.489 -3.361 -3.521 1.00 0.26 C ATOM 386 OG1 THR A 26 -5.239 -4.486 -4.371 1.00 0.35 O ATOM 387 CG2 THR A 26 -4.595 -2.201 -3.931 1.00 0.31 C ATOM 0 H THR A 26 -3.530 -4.844 -2.538 1.00 0.18 H new ATOM 0 HA THR A 26 -5.404 -2.870 -1.426 1.00 0.21 H new ATOM 0 HB THR A 26 -6.529 -3.050 -3.625 1.00 0.26 H new ATOM 0 HG1 THR A 26 -5.425 -5.314 -3.881 1.00 0.35 H new ATOM 0 HG21 THR A 26 -4.785 -1.946 -4.974 1.00 0.31 H new ATOM 0 HG22 THR A 26 -4.808 -1.337 -3.301 1.00 0.31 H new ATOM 0 HG23 THR A 26 -3.550 -2.487 -3.812 1.00 0.31 H new ATOM 395 N TRP A 27 -7.260 -4.468 -0.906 1.00 0.25 N ATOM 396 CA TRP A 27 -8.263 -5.431 -0.454 1.00 0.31 C ATOM 397 C TRP A 27 -9.523 -4.732 0.064 1.00 0.37 C ATOM 398 O TRP A 27 -9.531 -3.527 0.352 1.00 0.38 O ATOM 399 CB TRP A 27 -7.677 -6.323 0.653 1.00 0.32 C ATOM 400 CG TRP A 27 -6.887 -5.535 1.648 1.00 0.30 C ATOM 401 CD1 TRP A 27 -7.111 -4.244 1.974 1.00 0.31 C ATOM 402 CD2 TRP A 27 -5.763 -5.953 2.437 1.00 0.32 C ATOM 403 NE1 TRP A 27 -6.204 -3.813 2.893 1.00 0.32 N ATOM 404 CE2 TRP A 27 -5.368 -4.837 3.201 1.00 0.32 C ATOM 405 CE3 TRP A 27 -5.049 -7.141 2.578 1.00 0.35 C ATOM 406 CZ2 TRP A 27 -4.300 -4.872 4.082 1.00 0.36 C ATOM 407 CZ3 TRP A 27 -3.983 -7.169 3.461 1.00 0.39 C ATOM 408 CH2 TRP A 27 -3.620 -6.041 4.200 1.00 0.39 C ATOM 0 H TRP A 27 -7.423 -3.510 -0.597 1.00 0.25 H new ATOM 0 HA TRP A 27 -8.542 -6.043 -1.311 1.00 0.31 H new ATOM 0 HB2 TRP A 27 -8.486 -6.845 1.164 1.00 0.32 H new ATOM 0 HB3 TRP A 27 -7.039 -7.085 0.205 1.00 0.32 H new ATOM 0 HD1 TRP A 27 -7.902 -3.636 1.562 1.00 0.31 H new ATOM 0 HE1 TRP A 27 -6.160 -2.873 3.286 1.00 0.32 H new ATOM 0 HE3 TRP A 27 -5.321 -8.020 2.012 1.00 0.35 H new ATOM 0 HZ2 TRP A 27 -4.018 -4.001 4.655 1.00 0.36 H new ATOM 0 HZ3 TRP A 27 -3.420 -8.083 3.581 1.00 0.39 H new ATOM 0 HH2 TRP A 27 -2.782 -6.100 4.879 1.00 0.39 H new ATOM 419 N CYS A 28 -10.581 -5.515 0.177 1.00 0.45 N ATOM 420 CA CYS A 28 -11.868 -5.031 0.657 1.00 0.54 C ATOM 421 C CYS A 28 -12.756 -6.205 1.064 1.00 0.62 C ATOM 422 O CYS A 28 -13.163 -7.005 0.221 1.00 0.64 O ATOM 423 CB CYS A 28 -12.541 -4.193 -0.435 1.00 0.59 C ATOM 424 SG CYS A 28 -14.352 -4.376 -0.538 1.00 1.31 S ATOM 0 H CYS A 28 -10.574 -6.507 -0.061 1.00 0.45 H new ATOM 0 HA CYS A 28 -11.713 -4.404 1.535 1.00 0.54 H new ATOM 0 HB2 CYS A 28 -12.306 -3.143 -0.263 1.00 0.59 H new ATOM 0 HB3 CYS A 28 -12.108 -4.463 -1.398 1.00 0.59 H new ATOM 429 N ASP A 29 -13.048 -6.309 2.358 1.00 0.69 N ATOM 430 CA ASP A 29 -13.888 -7.389 2.866 1.00 0.78 C ATOM 431 C ASP A 29 -14.630 -6.963 4.130 1.00 0.90 C ATOM 432 O ASP A 29 -15.704 -6.366 4.067 1.00 0.97 O ATOM 433 CB ASP A 29 -13.042 -8.630 3.157 1.00 0.78 C ATOM 434 CG ASP A 29 -13.889 -9.863 3.411 1.00 1.36 C ATOM 435 OD1 ASP A 29 -14.318 -10.060 4.568 1.00 2.22 O ATOM 436 OD2 ASP A 29 -14.123 -10.629 2.453 1.00 1.48 O ATOM 0 H ASP A 29 -12.716 -5.660 3.072 1.00 0.69 H new ATOM 0 HA ASP A 29 -14.624 -7.627 2.098 1.00 0.78 H new ATOM 0 HB2 ASP A 29 -12.376 -8.818 2.315 1.00 0.78 H new ATOM 0 HB3 ASP A 29 -12.412 -8.441 4.026 1.00 0.78 H new ATOM 441 N ALA A 30 -14.038 -7.283 5.278 1.00 0.94 N ATOM 442 CA ALA A 30 -14.621 -6.947 6.571 1.00 1.07 C ATOM 443 C ALA A 30 -14.624 -5.442 6.800 1.00 1.06 C ATOM 444 O ALA A 30 -15.672 -4.833 7.019 1.00 1.16 O ATOM 445 CB ALA A 30 -13.852 -7.639 7.687 1.00 1.13 C ATOM 0 H ALA A 30 -13.148 -7.778 5.337 1.00 0.94 H new ATOM 0 HA ALA A 30 -15.654 -7.294 6.575 1.00 1.07 H new ATOM 0 HB1 ALA A 30 -14.296 -7.381 8.649 1.00 1.13 H new ATOM 0 HB2 ALA A 30 -13.897 -8.719 7.544 1.00 1.13 H new ATOM 0 HB3 ALA A 30 -12.812 -7.313 7.668 1.00 1.13 H new ATOM 451 N TRP A 31 -13.438 -4.855 6.744 1.00 0.98 N ATOM 452 CA TRP A 31 -13.274 -3.419 6.946 1.00 0.99 C ATOM 453 C TRP A 31 -13.857 -2.649 5.768 1.00 0.98 C ATOM 454 O TRP A 31 -13.879 -1.418 5.762 1.00 1.04 O ATOM 455 CB TRP A 31 -11.792 -3.070 7.111 1.00 0.94 C ATOM 456 CG TRP A 31 -10.930 -4.251 7.452 1.00 0.91 C ATOM 457 CD1 TRP A 31 -10.553 -4.662 8.699 1.00 0.98 C ATOM 458 CD2 TRP A 31 -10.345 -5.181 6.531 1.00 0.86 C ATOM 459 NE1 TRP A 31 -9.764 -5.779 8.610 1.00 0.98 N ATOM 460 CE2 TRP A 31 -9.622 -6.120 7.291 1.00 0.91 C ATOM 461 CE3 TRP A 31 -10.361 -5.309 5.139 1.00 0.81 C ATOM 462 CZ2 TRP A 31 -8.922 -7.172 6.703 1.00 0.92 C ATOM 463 CZ3 TRP A 31 -9.666 -6.352 4.558 1.00 0.81 C ATOM 464 CH2 TRP A 31 -8.955 -7.272 5.339 1.00 0.87 C ATOM 0 H TRP A 31 -12.568 -5.353 6.559 1.00 0.98 H new ATOM 0 HA TRP A 31 -13.807 -3.136 7.853 1.00 0.99 H new ATOM 0 HB2 TRP A 31 -11.428 -2.620 6.187 1.00 0.94 H new ATOM 0 HB3 TRP A 31 -11.689 -2.318 7.893 1.00 0.94 H new ATOM 0 HD1 TRP A 31 -10.836 -4.177 9.622 1.00 0.98 H new ATOM 0 HE1 TRP A 31 -9.350 -6.276 9.398 1.00 0.98 H new ATOM 0 HE3 TRP A 31 -10.907 -4.605 4.529 1.00 0.81 H new ATOM 0 HZ2 TRP A 31 -8.373 -7.883 7.303 1.00 0.92 H new ATOM 0 HZ3 TRP A 31 -9.671 -6.460 3.483 1.00 0.81 H new ATOM 0 HH2 TRP A 31 -8.422 -8.077 4.855 1.00 0.87 H new ATOM 475 N CYS A 32 -14.328 -3.390 4.772 1.00 0.94 N ATOM 476 CA CYS A 32 -14.909 -2.801 3.574 1.00 0.97 C ATOM 477 C CYS A 32 -16.402 -2.553 3.750 1.00 1.10 C ATOM 478 O CYS A 32 -17.082 -2.136 2.812 1.00 1.47 O ATOM 479 CB CYS A 32 -14.674 -3.728 2.386 1.00 0.95 C ATOM 480 SG CYS A 32 -15.051 -2.992 0.766 1.00 0.97 S ATOM 0 H CYS A 32 -14.318 -4.410 4.772 1.00 0.94 H new ATOM 0 HA CYS A 32 -14.427 -1.840 3.394 1.00 0.97 H new ATOM 0 HB2 CYS A 32 -13.632 -4.047 2.392 1.00 0.95 H new ATOM 0 HB3 CYS A 32 -15.283 -4.623 2.514 1.00 0.95 H new ATOM 485 N GLY A 33 -16.907 -2.824 4.951 1.00 1.28 N ATOM 486 CA GLY A 33 -18.317 -2.617 5.227 1.00 1.47 C ATOM 487 C GLY A 33 -18.799 -1.267 4.739 1.00 2.07 C ATOM 488 O GLY A 33 -19.793 -1.175 4.018 1.00 2.53 O ATOM 0 H GLY A 33 -16.365 -3.183 5.737 1.00 1.28 H new ATOM 0 HA2 GLY A 33 -18.899 -3.404 4.748 1.00 1.47 H new ATOM 0 HA3 GLY A 33 -18.492 -2.698 6.300 1.00 1.47 H new ATOM 492 N SER A 34 -18.088 -0.218 5.137 1.00 2.44 N ATOM 493 CA SER A 34 -18.429 1.139 4.731 1.00 3.45 C ATOM 494 C SER A 34 -17.334 2.118 5.136 1.00 3.56 C ATOM 495 O SER A 34 -17.513 3.333 5.050 1.00 4.28 O ATOM 496 CB SER A 34 -19.736 1.573 5.369 1.00 4.13 C ATOM 497 OG SER A 34 -20.450 2.461 4.527 1.00 4.69 O ATOM 0 H SER A 34 -17.270 -0.283 5.742 1.00 2.44 H new ATOM 0 HA SER A 34 -18.532 1.142 3.646 1.00 3.45 H new ATOM 0 HB2 SER A 34 -20.349 0.697 5.580 1.00 4.13 H new ATOM 0 HB3 SER A 34 -19.534 2.058 6.324 1.00 4.13 H new ATOM 0 HG SER A 34 -21.288 2.723 4.963 1.00 4.69 H new ATOM 503 N ARG A 35 -16.202 1.584 5.576 1.00 3.00 N ATOM 504 CA ARG A 35 -15.086 2.418 5.987 1.00 3.12 C ATOM 505 C ARG A 35 -14.225 2.736 4.780 1.00 2.03 C ATOM 506 O ARG A 35 -13.294 3.538 4.852 1.00 2.11 O ATOM 507 CB ARG A 35 -14.257 1.709 7.058 1.00 3.95 C ATOM 508 CG ARG A 35 -15.079 1.245 8.249 1.00 4.47 C ATOM 509 CD ARG A 35 -15.575 2.420 9.077 1.00 5.52 C ATOM 510 NE ARG A 35 -16.450 1.994 10.166 1.00 6.05 N ATOM 511 CZ ARG A 35 -16.976 2.826 11.060 1.00 7.03 C ATOM 512 NH1 ARG A 35 -16.710 4.125 11.001 1.00 7.53 N ATOM 513 NH2 ARG A 35 -17.768 2.359 12.015 1.00 7.71 N ATOM 0 H ARG A 35 -16.035 0.581 5.656 1.00 3.00 H new ATOM 0 HA ARG A 35 -15.469 3.346 6.411 1.00 3.12 H new ATOM 0 HB2 ARG A 35 -13.760 0.848 6.611 1.00 3.95 H new ATOM 0 HB3 ARG A 35 -13.475 2.383 7.407 1.00 3.95 H new ATOM 0 HG2 ARG A 35 -15.930 0.660 7.899 1.00 4.47 H new ATOM 0 HG3 ARG A 35 -14.476 0.587 8.874 1.00 4.47 H new ATOM 0 HD2 ARG A 35 -14.722 2.959 9.488 1.00 5.52 H new ATOM 0 HD3 ARG A 35 -16.112 3.116 8.433 1.00 5.52 H new ATOM 0 HE ARG A 35 -16.670 1.001 10.245 1.00 6.05 H new ATOM 0 HH11 ARG A 35 -16.100 4.488 10.268 1.00 7.53 H new ATOM 0 HH12 ARG A 35 -17.115 4.760 11.688 1.00 7.53 H new ATOM 0 HH21 ARG A 35 -17.974 1.361 12.064 1.00 7.71 H new ATOM 0 HH22 ARG A 35 -18.171 2.997 12.701 1.00 7.71 H new ATOM 527 N GLY A 36 -14.551 2.087 3.669 1.00 1.30 N ATOM 528 CA GLY A 36 -13.837 2.307 2.444 1.00 1.09 C ATOM 529 C GLY A 36 -12.665 1.370 2.283 1.00 0.99 C ATOM 530 O GLY A 36 -11.827 1.253 3.178 1.00 1.47 O ATOM 0 H GLY A 36 -15.308 1.406 3.604 1.00 1.30 H new ATOM 0 HA2 GLY A 36 -14.518 2.180 1.602 1.00 1.09 H new ATOM 0 HA3 GLY A 36 -13.482 3.337 2.414 1.00 1.09 H new ATOM 534 N LYS A 37 -12.632 0.690 1.143 1.00 0.68 N ATOM 535 CA LYS A 37 -11.562 -0.244 0.812 1.00 0.57 C ATOM 536 C LYS A 37 -10.237 0.208 1.412 1.00 0.52 C ATOM 537 O LYS A 37 -9.882 1.385 1.345 1.00 0.60 O ATOM 538 CB LYS A 37 -11.435 -0.361 -0.707 1.00 0.62 C ATOM 539 CG LYS A 37 -12.736 -0.729 -1.400 1.00 0.84 C ATOM 540 CD LYS A 37 -12.548 -0.886 -2.902 1.00 1.27 C ATOM 541 CE LYS A 37 -12.665 0.447 -3.627 1.00 1.92 C ATOM 542 NZ LYS A 37 -11.597 1.403 -3.223 1.00 2.59 N ATOM 0 H LYS A 37 -13.348 0.771 0.421 1.00 0.68 H new ATOM 0 HA LYS A 37 -11.810 -1.218 1.234 1.00 0.57 H new ATOM 0 HB2 LYS A 37 -11.076 0.587 -1.107 1.00 0.62 H new ATOM 0 HB3 LYS A 37 -10.682 -1.113 -0.943 1.00 0.62 H new ATOM 0 HG2 LYS A 37 -13.121 -1.659 -0.982 1.00 0.84 H new ATOM 0 HG3 LYS A 37 -13.483 0.041 -1.205 1.00 0.84 H new ATOM 0 HD2 LYS A 37 -11.570 -1.324 -3.102 1.00 1.27 H new ATOM 0 HD3 LYS A 37 -13.294 -1.579 -3.292 1.00 1.27 H new ATOM 0 HE2 LYS A 37 -12.612 0.279 -4.703 1.00 1.92 H new ATOM 0 HE3 LYS A 37 -13.641 0.887 -3.420 1.00 1.92 H new ATOM 0 HZ1 LYS A 37 -11.474 2.120 -3.966 1.00 2.59 H new ATOM 0 HZ2 LYS A 37 -11.867 1.869 -2.333 1.00 2.59 H new ATOM 0 HZ3 LYS A 37 -10.703 0.888 -3.087 1.00 2.59 H new ATOM 556 N VAL A 38 -9.510 -0.737 1.990 1.00 0.44 N ATOM 557 CA VAL A 38 -8.235 -0.436 2.623 1.00 0.42 C ATOM 558 C VAL A 38 -7.083 -0.885 1.732 1.00 0.33 C ATOM 559 O VAL A 38 -7.255 -1.741 0.866 1.00 0.29 O ATOM 560 CB VAL A 38 -8.157 -1.081 4.027 1.00 0.50 C ATOM 561 CG1 VAL A 38 -8.774 -2.451 3.989 1.00 1.00 C ATOM 562 CG2 VAL A 38 -6.732 -1.143 4.582 1.00 1.21 C ATOM 0 H VAL A 38 -9.782 -1.719 2.034 1.00 0.44 H new ATOM 0 HA VAL A 38 -8.153 0.643 2.755 1.00 0.42 H new ATOM 0 HB VAL A 38 -8.719 -0.442 4.708 1.00 0.50 H new ATOM 0 HG11 VAL A 38 -8.718 -2.903 4.979 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -9.818 -2.372 3.685 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -8.235 -3.073 3.275 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.746 -1.606 5.569 1.00 1.21 H new ATOM 0 HG22 VAL A 38 -6.106 -1.734 3.913 1.00 1.21 H new ATOM 0 HG23 VAL A 38 -6.328 -0.134 4.660 1.00 1.21 H new ATOM 572 N ILE A 39 -5.924 -0.269 1.917 1.00 0.33 N ATOM 573 CA ILE A 39 -4.746 -0.599 1.131 1.00 0.28 C ATOM 574 C ILE A 39 -3.474 -0.408 1.956 1.00 0.33 C ATOM 575 O ILE A 39 -3.083 0.718 2.246 1.00 0.55 O ATOM 576 CB ILE A 39 -4.671 0.266 -0.146 1.00 0.32 C ATOM 577 CG1 ILE A 39 -5.808 -0.101 -1.105 1.00 0.31 C ATOM 578 CG2 ILE A 39 -3.320 0.099 -0.824 1.00 0.36 C ATOM 579 CD1 ILE A 39 -6.002 0.898 -2.225 1.00 0.40 C ATOM 0 H ILE A 39 -5.775 0.466 2.609 1.00 0.33 H new ATOM 0 HA ILE A 39 -4.827 -1.646 0.840 1.00 0.28 H new ATOM 0 HB ILE A 39 -4.783 1.313 0.136 1.00 0.32 H new ATOM 0 HG12 ILE A 39 -5.607 -1.082 -1.535 1.00 0.31 H new ATOM 0 HG13 ILE A 39 -6.736 -0.185 -0.540 1.00 0.31 H new ATOM 0 HG21 ILE A 39 -3.285 0.716 -1.722 1.00 0.36 H new ATOM 0 HG22 ILE A 39 -2.529 0.408 -0.140 1.00 0.36 H new ATOM 0 HG23 ILE A 39 -3.176 -0.947 -1.096 1.00 0.36 H new ATOM 0 HD11 ILE A 39 -6.823 0.573 -2.864 1.00 0.40 H new ATOM 0 HD12 ILE A 39 -6.235 1.876 -1.804 1.00 0.40 H new ATOM 0 HD13 ILE A 39 -5.088 0.965 -2.815 1.00 0.40 H new ATOM 591 N GLU A 40 -2.826 -1.516 2.319 1.00 0.22 N ATOM 592 CA GLU A 40 -1.609 -1.459 3.129 1.00 0.24 C ATOM 593 C GLU A 40 -0.405 -0.983 2.327 1.00 0.26 C ATOM 594 O GLU A 40 -0.158 -1.448 1.218 1.00 0.54 O ATOM 595 CB GLU A 40 -1.300 -2.829 3.747 1.00 0.28 C ATOM 596 CG GLU A 40 -1.757 -2.953 5.192 1.00 0.62 C ATOM 597 CD GLU A 40 -1.292 -4.240 5.847 1.00 1.31 C ATOM 598 OE1 GLU A 40 -0.123 -4.624 5.637 1.00 2.21 O ATOM 599 OE2 GLU A 40 -2.100 -4.866 6.564 1.00 1.43 O ATOM 0 H GLU A 40 -3.122 -2.459 2.066 1.00 0.22 H new ATOM 0 HA GLU A 40 -1.796 -0.735 3.922 1.00 0.24 H new ATOM 0 HB2 GLU A 40 -1.782 -3.605 3.153 1.00 0.28 H new ATOM 0 HB3 GLU A 40 -0.226 -3.009 3.696 1.00 0.28 H new ATOM 0 HG2 GLU A 40 -1.380 -2.104 5.762 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -2.845 -2.904 5.230 1.00 0.62 H new ATOM 606 N LEU A 41 0.341 -0.051 2.909 1.00 0.19 N ATOM 607 CA LEU A 41 1.542 0.482 2.278 1.00 0.22 C ATOM 608 C LEU A 41 2.707 0.394 3.248 1.00 0.21 C ATOM 609 O LEU A 41 2.574 0.747 4.421 1.00 0.29 O ATOM 610 CB LEU A 41 1.344 1.934 1.843 1.00 0.34 C ATOM 611 CG LEU A 41 0.128 2.197 0.960 1.00 0.36 C ATOM 612 CD1 LEU A 41 0.051 3.670 0.579 1.00 1.06 C ATOM 613 CD2 LEU A 41 0.165 1.327 -0.289 1.00 1.30 C ATOM 0 H LEU A 41 0.133 0.353 3.822 1.00 0.19 H new ATOM 0 HA LEU A 41 1.752 -0.112 1.389 1.00 0.22 H new ATOM 0 HB2 LEU A 41 1.264 2.554 2.736 1.00 0.34 H new ATOM 0 HB3 LEU A 41 2.236 2.259 1.308 1.00 0.34 H new ATOM 0 HG LEU A 41 -0.765 1.939 1.529 1.00 0.36 H new ATOM 0 HD11 LEU A 41 -0.823 3.838 -0.051 1.00 1.06 H new ATOM 0 HD12 LEU A 41 -0.031 4.276 1.482 1.00 1.06 H new ATOM 0 HD13 LEU A 41 0.951 3.952 0.033 1.00 1.06 H new ATOM 0 HD21 LEU A 41 -0.712 1.533 -0.902 1.00 1.30 H new ATOM 0 HD22 LEU A 41 1.067 1.548 -0.860 1.00 1.30 H new ATOM 0 HD23 LEU A 41 0.167 0.276 -0.000 1.00 1.30 H new ATOM 625 N GLY A 42 3.846 -0.073 2.764 1.00 0.21 N ATOM 626 CA GLY A 42 5.003 -0.195 3.633 1.00 0.22 C ATOM 627 C GLY A 42 6.271 -0.581 2.903 1.00 0.20 C ATOM 628 O GLY A 42 6.351 -0.483 1.679 1.00 0.24 O ATOM 0 H GLY A 42 3.993 -0.367 1.798 1.00 0.21 H new ATOM 0 HA2 GLY A 42 5.163 0.753 4.146 1.00 0.22 H new ATOM 0 HA3 GLY A 42 4.794 -0.941 4.400 1.00 0.22 H new ATOM 632 N CYS A 43 7.266 -1.024 3.668 1.00 0.21 N ATOM 633 CA CYS A 43 8.547 -1.427 3.111 1.00 0.21 C ATOM 634 C CYS A 43 8.803 -2.913 3.331 1.00 0.17 C ATOM 635 O CYS A 43 8.151 -3.551 4.158 1.00 0.22 O ATOM 636 CB CYS A 43 9.669 -0.612 3.748 1.00 0.26 C ATOM 637 SG CYS A 43 9.744 1.118 3.188 1.00 1.25 S ATOM 0 H CYS A 43 7.205 -1.112 4.682 1.00 0.21 H new ATOM 0 HA CYS A 43 8.522 -1.241 2.037 1.00 0.21 H new ATOM 0 HB2 CYS A 43 9.544 -0.627 4.831 1.00 0.26 H new ATOM 0 HB3 CYS A 43 10.622 -1.094 3.531 1.00 0.26 H new ATOM 642 N ALA A 44 9.763 -3.450 2.585 1.00 0.19 N ATOM 643 CA ALA A 44 10.119 -4.860 2.681 1.00 0.19 C ATOM 644 C ALA A 44 11.340 -5.169 1.828 1.00 0.18 C ATOM 645 O ALA A 44 11.560 -4.539 0.795 1.00 0.20 O ATOM 646 CB ALA A 44 8.944 -5.728 2.262 1.00 0.23 C ATOM 0 H ALA A 44 10.311 -2.925 1.903 1.00 0.19 H new ATOM 0 HA ALA A 44 10.366 -5.082 3.719 1.00 0.19 H new ATOM 0 HB1 ALA A 44 9.223 -6.779 2.338 1.00 0.23 H new ATOM 0 HB2 ALA A 44 8.094 -5.530 2.915 1.00 0.23 H new ATOM 0 HB3 ALA A 44 8.671 -5.499 1.232 1.00 0.23 H new ATOM 652 N ALA A 45 12.136 -6.134 2.267 1.00 0.19 N ATOM 653 CA ALA A 45 13.326 -6.527 1.528 1.00 0.21 C ATOM 654 C ALA A 45 12.938 -7.088 0.168 1.00 0.20 C ATOM 655 O ALA A 45 13.710 -7.029 -0.789 1.00 0.22 O ATOM 656 CB ALA A 45 14.124 -7.554 2.317 1.00 0.24 C ATOM 0 H ALA A 45 11.980 -6.657 3.128 1.00 0.19 H new ATOM 0 HA ALA A 45 13.950 -5.646 1.377 1.00 0.21 H new ATOM 0 HB1 ALA A 45 15.011 -7.838 1.751 1.00 0.24 H new ATOM 0 HB2 ALA A 45 14.425 -7.125 3.273 1.00 0.24 H new ATOM 0 HB3 ALA A 45 13.508 -8.436 2.493 1.00 0.24 H new ATOM 662 N THR A 46 11.722 -7.622 0.097 1.00 0.19 N ATOM 663 CA THR A 46 11.199 -8.202 -1.133 1.00 0.21 C ATOM 664 C THR A 46 9.675 -8.163 -1.144 1.00 0.20 C ATOM 665 O THR A 46 9.040 -8.197 -0.089 1.00 0.22 O ATOM 666 CB THR A 46 11.654 -9.663 -1.305 1.00 0.24 C ATOM 667 OG1 THR A 46 11.548 -10.360 -0.058 1.00 0.25 O ATOM 668 CG2 THR A 46 13.085 -9.739 -1.815 1.00 0.31 C ATOM 0 H THR A 46 11.076 -7.664 0.885 1.00 0.19 H new ATOM 0 HA THR A 46 11.591 -7.606 -1.957 1.00 0.21 H new ATOM 0 HB THR A 46 11.003 -10.133 -2.042 1.00 0.24 H new ATOM 0 HG1 THR A 46 11.838 -11.289 -0.177 1.00 0.25 H new ATOM 0 HG21 THR A 46 13.377 -10.783 -1.926 1.00 0.31 H new ATOM 0 HG22 THR A 46 13.154 -9.238 -2.781 1.00 0.31 H new ATOM 0 HG23 THR A 46 13.751 -9.250 -1.104 1.00 0.31 H new ATOM 676 N CYS A 47 9.096 -8.081 -2.338 1.00 0.21 N ATOM 677 CA CYS A 47 7.644 -8.047 -2.489 1.00 0.24 C ATOM 678 C CYS A 47 6.977 -9.152 -1.666 1.00 0.25 C ATOM 679 O CYS A 47 7.424 -10.299 -1.680 1.00 0.32 O ATOM 680 CB CYS A 47 7.264 -8.203 -3.960 1.00 0.29 C ATOM 681 SG CYS A 47 5.478 -8.044 -4.283 1.00 0.32 S ATOM 0 H CYS A 47 9.611 -8.037 -3.217 1.00 0.21 H new ATOM 0 HA CYS A 47 7.291 -7.083 -2.122 1.00 0.24 H new ATOM 0 HB2 CYS A 47 7.797 -7.453 -4.544 1.00 0.29 H new ATOM 0 HB3 CYS A 47 7.601 -9.178 -4.311 1.00 0.29 H new ATOM 686 N PRO A 48 5.894 -8.820 -0.934 1.00 0.27 N ATOM 687 CA PRO A 48 5.167 -9.787 -0.108 1.00 0.33 C ATOM 688 C PRO A 48 4.142 -10.585 -0.907 1.00 0.36 C ATOM 689 O PRO A 48 3.785 -10.214 -2.027 1.00 0.36 O ATOM 690 CB PRO A 48 4.470 -8.890 0.907 1.00 0.38 C ATOM 691 CG PRO A 48 4.161 -7.654 0.143 1.00 0.49 C ATOM 692 CD PRO A 48 5.293 -7.474 -0.838 1.00 0.35 C ATOM 0 HA PRO A 48 5.824 -10.539 0.329 1.00 0.33 H new ATOM 0 HB2 PRO A 48 3.564 -9.356 1.296 1.00 0.38 H new ATOM 0 HB3 PRO A 48 5.113 -8.680 1.762 1.00 0.38 H new ATOM 0 HG2 PRO A 48 3.207 -7.745 -0.376 1.00 0.49 H new ATOM 0 HG3 PRO A 48 4.082 -6.794 0.808 1.00 0.49 H new ATOM 0 HD2 PRO A 48 4.932 -7.127 -1.806 1.00 0.35 H new ATOM 0 HD3 PRO A 48 6.015 -6.738 -0.485 1.00 0.35 H new ATOM 700 N THR A 49 3.671 -11.682 -0.323 1.00 0.42 N ATOM 701 CA THR A 49 2.684 -12.539 -0.974 1.00 0.49 C ATOM 702 C THR A 49 1.267 -12.184 -0.546 1.00 0.50 C ATOM 703 O THR A 49 1.056 -11.577 0.504 1.00 0.54 O ATOM 704 CB THR A 49 2.937 -14.025 -0.667 1.00 0.63 C ATOM 705 OG1 THR A 49 3.260 -14.194 0.718 1.00 0.69 O ATOM 706 CG2 THR A 49 4.063 -14.571 -1.530 1.00 0.68 C ATOM 0 H THR A 49 3.957 -12.000 0.603 1.00 0.42 H new ATOM 0 HA THR A 49 2.789 -12.370 -2.046 1.00 0.49 H new ATOM 0 HB THR A 49 2.027 -14.580 -0.894 1.00 0.63 H new ATOM 0 HG1 THR A 49 3.418 -15.143 0.904 1.00 0.69 H new ATOM 0 HG21 THR A 49 4.224 -15.623 -1.295 1.00 0.68 H new ATOM 0 HG22 THR A 49 3.797 -14.471 -2.582 1.00 0.68 H new ATOM 0 HG23 THR A 49 4.977 -14.011 -1.332 1.00 0.68 H new ATOM 714 N VAL A 50 0.299 -12.576 -1.368 1.00 0.54 N ATOM 715 CA VAL A 50 -1.108 -12.305 -1.086 1.00 0.58 C ATOM 716 C VAL A 50 -1.961 -13.565 -1.250 1.00 0.75 C ATOM 717 O VAL A 50 -1.441 -14.637 -1.560 1.00 0.84 O ATOM 718 CB VAL A 50 -1.660 -11.193 -1.996 1.00 0.50 C ATOM 719 CG1 VAL A 50 -1.173 -9.827 -1.537 1.00 0.42 C ATOM 720 CG2 VAL A 50 -1.279 -11.439 -3.447 1.00 0.57 C ATOM 0 H VAL A 50 0.463 -13.084 -2.237 1.00 0.54 H new ATOM 0 HA VAL A 50 -1.163 -11.972 -0.050 1.00 0.58 H new ATOM 0 HB VAL A 50 -2.748 -11.209 -1.924 1.00 0.50 H new ATOM 0 HG11 VAL A 50 -1.576 -9.057 -2.195 1.00 0.42 H new ATOM 0 HG12 VAL A 50 -1.510 -9.645 -0.516 1.00 0.42 H new ATOM 0 HG13 VAL A 50 -0.084 -9.799 -1.570 1.00 0.42 H new ATOM 0 HG21 VAL A 50 -1.681 -10.639 -4.069 1.00 0.57 H new ATOM 0 HG22 VAL A 50 -0.193 -11.460 -3.540 1.00 0.57 H new ATOM 0 HG23 VAL A 50 -1.689 -12.394 -3.774 1.00 0.57 H new ATOM 730 N GLU A 51 -3.274 -13.432 -1.038 1.00 0.81 N ATOM 731 CA GLU A 51 -4.182 -14.573 -1.153 1.00 0.98 C ATOM 732 C GLU A 51 -5.068 -14.484 -2.406 1.00 0.93 C ATOM 733 O GLU A 51 -4.563 -14.278 -3.508 1.00 0.92 O ATOM 734 CB GLU A 51 -5.029 -14.713 0.120 1.00 1.09 C ATOM 735 CG GLU A 51 -5.726 -13.434 0.557 1.00 0.99 C ATOM 736 CD GLU A 51 -6.336 -13.555 1.939 1.00 1.22 C ATOM 737 OE1 GLU A 51 -7.110 -14.508 2.164 1.00 1.39 O ATOM 738 OE2 GLU A 51 -6.035 -12.700 2.798 1.00 1.31 O ATOM 0 H GLU A 51 -3.727 -12.553 -0.788 1.00 0.81 H new ATOM 0 HA GLU A 51 -3.573 -15.470 -1.264 1.00 0.98 H new ATOM 0 HB2 GLU A 51 -5.781 -15.485 -0.042 1.00 1.09 H new ATOM 0 HB3 GLU A 51 -4.388 -15.058 0.931 1.00 1.09 H new ATOM 0 HG2 GLU A 51 -5.010 -12.612 0.549 1.00 0.99 H new ATOM 0 HG3 GLU A 51 -6.507 -13.184 -0.162 1.00 0.99 H new ATOM 745 N SER A 52 -6.385 -14.666 -2.240 1.00 0.98 N ATOM 746 CA SER A 52 -7.316 -14.630 -3.369 1.00 0.97 C ATOM 747 C SER A 52 -7.967 -13.257 -3.605 1.00 0.78 C ATOM 748 O SER A 52 -7.682 -12.584 -4.597 1.00 0.75 O ATOM 749 CB SER A 52 -8.409 -15.681 -3.168 1.00 1.11 C ATOM 750 OG SER A 52 -9.311 -15.695 -4.261 1.00 1.15 O ATOM 0 H SER A 52 -6.826 -14.839 -1.337 1.00 0.98 H new ATOM 0 HA SER A 52 -6.721 -14.845 -4.257 1.00 0.97 H new ATOM 0 HB2 SER A 52 -7.955 -16.665 -3.055 1.00 1.11 H new ATOM 0 HB3 SER A 52 -8.953 -15.473 -2.246 1.00 1.11 H new ATOM 0 HG SER A 52 -9.999 -16.376 -4.109 1.00 1.15 H new ATOM 756 N TYR A 53 -8.851 -12.864 -2.685 1.00 0.73 N ATOM 757 CA TYR A 53 -9.619 -11.613 -2.788 1.00 0.62 C ATOM 758 C TYR A 53 -8.801 -10.336 -2.564 1.00 0.57 C ATOM 759 O TYR A 53 -9.307 -9.372 -1.991 1.00 0.72 O ATOM 760 CB TYR A 53 -10.762 -11.651 -1.774 1.00 0.64 C ATOM 761 CG TYR A 53 -10.313 -12.012 -0.373 1.00 0.69 C ATOM 762 CD1 TYR A 53 -9.611 -11.105 0.414 1.00 0.66 C ATOM 763 CD2 TYR A 53 -10.591 -13.263 0.162 1.00 0.93 C ATOM 764 CE1 TYR A 53 -9.203 -11.434 1.692 1.00 0.77 C ATOM 765 CE2 TYR A 53 -10.187 -13.600 1.440 1.00 1.05 C ATOM 766 CZ TYR A 53 -9.495 -12.682 2.200 1.00 0.94 C ATOM 767 OH TYR A 53 -9.090 -13.012 3.473 1.00 1.10 O ATOM 0 H TYR A 53 -9.058 -13.403 -1.844 1.00 0.73 H new ATOM 0 HA TYR A 53 -9.979 -11.564 -3.816 1.00 0.62 H new ATOM 0 HB2 TYR A 53 -11.250 -10.677 -1.751 1.00 0.64 H new ATOM 0 HB3 TYR A 53 -11.508 -12.373 -2.106 1.00 0.64 H new ATOM 0 HD1 TYR A 53 -9.381 -10.127 0.019 1.00 0.66 H new ATOM 0 HD2 TYR A 53 -11.132 -13.985 -0.431 1.00 0.93 H new ATOM 0 HE1 TYR A 53 -8.659 -10.718 2.290 1.00 0.77 H new ATOM 0 HE2 TYR A 53 -10.412 -14.577 1.841 1.00 1.05 H new ATOM 0 HH TYR A 53 -8.386 -13.693 3.426 1.00 1.10 H new ATOM 777 N GLN A 54 -7.563 -10.306 -3.027 1.00 0.61 N ATOM 778 CA GLN A 54 -6.726 -9.120 -2.854 1.00 0.70 C ATOM 779 C GLN A 54 -5.715 -8.993 -3.989 1.00 0.66 C ATOM 780 O GLN A 54 -5.683 -9.816 -4.906 1.00 0.81 O ATOM 781 CB GLN A 54 -6.006 -9.159 -1.502 1.00 0.85 C ATOM 782 CG GLN A 54 -4.840 -10.125 -1.469 1.00 0.89 C ATOM 783 CD GLN A 54 -5.132 -11.380 -2.256 1.00 1.62 C ATOM 784 OE1 GLN A 54 -6.066 -12.108 -1.939 1.00 2.37 O ATOM 785 NE2 GLN A 54 -4.353 -11.621 -3.302 1.00 1.90 N ATOM 0 H GLN A 54 -7.114 -11.077 -3.521 1.00 0.61 H new ATOM 0 HA GLN A 54 -7.376 -8.245 -2.877 1.00 0.70 H new ATOM 0 HB2 GLN A 54 -5.646 -8.159 -1.261 1.00 0.85 H new ATOM 0 HB3 GLN A 54 -6.720 -9.436 -0.726 1.00 0.85 H new ATOM 0 HG2 GLN A 54 -3.953 -9.639 -1.875 1.00 0.89 H new ATOM 0 HG3 GLN A 54 -4.614 -10.388 -0.436 1.00 0.89 H new ATOM 0 HE21 GLN A 54 -3.588 -10.985 -3.525 1.00 1.90 H new ATOM 0 HE22 GLN A 54 -4.519 -12.443 -3.883 1.00 1.90 H new ATOM 794 N ASP A 55 -4.896 -7.954 -3.920 1.00 0.50 N ATOM 795 CA ASP A 55 -3.884 -7.696 -4.931 1.00 0.46 C ATOM 796 C ASP A 55 -2.718 -6.947 -4.306 1.00 0.40 C ATOM 797 O ASP A 55 -2.849 -6.382 -3.224 1.00 0.38 O ATOM 798 CB ASP A 55 -4.472 -6.877 -6.081 1.00 0.49 C ATOM 799 CG ASP A 55 -3.736 -7.103 -7.388 1.00 0.70 C ATOM 800 OD1 ASP A 55 -4.096 -8.052 -8.116 1.00 0.90 O ATOM 801 OD2 ASP A 55 -2.800 -6.330 -7.683 1.00 0.84 O ATOM 0 H ASP A 55 -4.915 -7.269 -3.164 1.00 0.50 H new ATOM 0 HA ASP A 55 -3.533 -8.648 -5.328 1.00 0.46 H new ATOM 0 HB2 ASP A 55 -5.523 -7.138 -6.209 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -4.435 -5.818 -5.825 1.00 0.49 H new ATOM 806 N ILE A 56 -1.574 -6.956 -4.972 1.00 0.38 N ATOM 807 CA ILE A 56 -0.407 -6.262 -4.454 1.00 0.34 C ATOM 808 C ILE A 56 0.519 -5.794 -5.571 1.00 0.33 C ATOM 809 O ILE A 56 0.682 -6.470 -6.586 1.00 0.36 O ATOM 810 CB ILE A 56 0.387 -7.140 -3.468 1.00 0.37 C ATOM 811 CG1 ILE A 56 1.485 -6.318 -2.793 1.00 0.62 C ATOM 812 CG2 ILE A 56 0.982 -8.347 -4.174 1.00 0.49 C ATOM 813 CD1 ILE A 56 1.368 -6.283 -1.288 1.00 0.55 C ATOM 0 H ILE A 56 -1.429 -7.431 -5.863 1.00 0.38 H new ATOM 0 HA ILE A 56 -0.785 -5.388 -3.924 1.00 0.34 H new ATOM 0 HB ILE A 56 -0.299 -7.502 -2.702 1.00 0.37 H new ATOM 0 HG12 ILE A 56 2.457 -6.730 -3.065 1.00 0.62 H new ATOM 0 HG13 ILE A 56 1.453 -5.298 -3.176 1.00 0.62 H new ATOM 0 HG21 ILE A 56 1.538 -8.951 -3.457 1.00 0.49 H new ATOM 0 HG22 ILE A 56 0.181 -8.945 -4.609 1.00 0.49 H new ATOM 0 HG23 ILE A 56 1.654 -8.012 -4.964 1.00 0.49 H new ATOM 0 HD11 ILE A 56 2.178 -5.683 -0.874 1.00 0.55 H new ATOM 0 HD12 ILE A 56 0.411 -5.843 -1.008 1.00 0.55 H new ATOM 0 HD13 ILE A 56 1.430 -7.298 -0.895 1.00 0.55 H new ATOM 825 N LYS A 57 1.116 -4.626 -5.370 1.00 0.34 N ATOM 826 CA LYS A 57 2.042 -4.056 -6.337 1.00 0.36 C ATOM 827 C LYS A 57 3.397 -3.830 -5.682 1.00 0.33 C ATOM 828 O LYS A 57 3.487 -3.202 -4.627 1.00 0.53 O ATOM 829 CB LYS A 57 1.502 -2.737 -6.888 1.00 0.40 C ATOM 830 CG LYS A 57 0.137 -2.864 -7.542 1.00 1.32 C ATOM 831 CD LYS A 57 -0.384 -1.515 -8.013 1.00 1.62 C ATOM 832 CE LYS A 57 -1.686 -1.657 -8.783 1.00 2.06 C ATOM 833 NZ LYS A 57 -2.732 -2.350 -7.983 1.00 2.48 N ATOM 0 H LYS A 57 0.973 -4.052 -4.539 1.00 0.34 H new ATOM 0 HA LYS A 57 2.154 -4.755 -7.165 1.00 0.36 H new ATOM 0 HB2 LYS A 57 1.441 -2.012 -6.076 1.00 0.40 H new ATOM 0 HB3 LYS A 57 2.209 -2.341 -7.617 1.00 0.40 H new ATOM 0 HG2 LYS A 57 0.201 -3.546 -8.390 1.00 1.32 H new ATOM 0 HG3 LYS A 57 -0.568 -3.300 -6.834 1.00 1.32 H new ATOM 0 HD2 LYS A 57 -0.538 -0.863 -7.153 1.00 1.62 H new ATOM 0 HD3 LYS A 57 0.363 -1.036 -8.646 1.00 1.62 H new ATOM 0 HE2 LYS A 57 -2.046 -0.670 -9.073 1.00 2.06 H new ATOM 0 HE3 LYS A 57 -1.505 -2.213 -9.703 1.00 2.06 H new ATOM 0 HZ1 LYS A 57 -3.647 -2.278 -8.472 1.00 2.48 H new ATOM 0 HZ2 LYS A 57 -2.477 -3.352 -7.872 1.00 2.48 H new ATOM 0 HZ3 LYS A 57 -2.804 -1.905 -7.046 1.00 2.48 H new ATOM 847 N CYS A 58 4.447 -4.342 -6.308 1.00 0.23 N ATOM 848 CA CYS A 58 5.790 -4.203 -5.762 1.00 0.21 C ATOM 849 C CYS A 58 6.627 -3.230 -6.579 1.00 0.17 C ATOM 850 O CYS A 58 6.673 -3.304 -7.806 1.00 0.29 O ATOM 851 CB CYS A 58 6.489 -5.560 -5.702 1.00 0.31 C ATOM 852 SG CYS A 58 5.390 -6.981 -6.008 1.00 1.04 S ATOM 0 H CYS A 58 4.396 -4.854 -7.189 1.00 0.23 H new ATOM 0 HA CYS A 58 5.691 -3.805 -4.752 1.00 0.21 H new ATOM 0 HB2 CYS A 58 7.295 -5.574 -6.436 1.00 0.31 H new ATOM 0 HB3 CYS A 58 6.949 -5.676 -4.721 1.00 0.31 H new ATOM 857 N CYS A 59 7.292 -2.326 -5.874 1.00 0.20 N ATOM 858 CA CYS A 59 8.150 -1.328 -6.503 1.00 0.22 C ATOM 859 C CYS A 59 9.184 -0.828 -5.511 1.00 0.18 C ATOM 860 O CYS A 59 9.060 -1.051 -4.308 1.00 0.30 O ATOM 861 CB CYS A 59 7.335 -0.151 -7.034 1.00 0.38 C ATOM 862 SG CYS A 59 6.494 -0.476 -8.617 1.00 0.68 S ATOM 0 H CYS A 59 7.254 -2.262 -4.857 1.00 0.20 H new ATOM 0 HA CYS A 59 8.653 -1.803 -7.345 1.00 0.22 H new ATOM 0 HB2 CYS A 59 6.588 0.125 -6.289 1.00 0.38 H new ATOM 0 HB3 CYS A 59 7.995 0.708 -7.156 1.00 0.38 H new ATOM 867 N SER A 60 10.192 -0.137 -6.016 1.00 0.20 N ATOM 868 CA SER A 60 11.256 0.379 -5.168 1.00 0.21 C ATOM 869 C SER A 60 11.258 1.904 -5.149 1.00 0.16 C ATOM 870 O SER A 60 12.304 2.532 -4.980 1.00 0.22 O ATOM 871 CB SER A 60 12.608 -0.151 -5.644 1.00 0.31 C ATOM 872 OG SER A 60 12.842 0.183 -7.002 1.00 1.22 O ATOM 0 H SER A 60 10.297 0.080 -7.007 1.00 0.20 H new ATOM 0 HA SER A 60 11.077 0.034 -4.150 1.00 0.21 H new ATOM 0 HB2 SER A 60 13.403 0.263 -5.023 1.00 0.31 H new ATOM 0 HB3 SER A 60 12.640 -1.234 -5.523 1.00 0.31 H new ATOM 0 HG SER A 60 13.714 -0.167 -7.279 1.00 1.22 H new ATOM 878 N THR A 61 10.076 2.493 -5.312 1.00 0.17 N ATOM 879 CA THR A 61 9.931 3.945 -5.304 1.00 0.18 C ATOM 880 C THR A 61 8.540 4.355 -4.833 1.00 0.15 C ATOM 881 O THR A 61 7.545 3.725 -5.189 1.00 0.15 O ATOM 882 CB THR A 61 10.176 4.552 -6.701 1.00 0.24 C ATOM 883 OG1 THR A 61 9.398 3.857 -7.682 1.00 1.25 O ATOM 884 CG2 THR A 61 11.649 4.488 -7.077 1.00 1.07 C ATOM 0 H THR A 61 9.203 1.985 -5.452 1.00 0.17 H new ATOM 0 HA THR A 61 10.682 4.327 -4.613 1.00 0.18 H new ATOM 0 HB THR A 61 9.874 5.599 -6.671 1.00 0.24 H new ATOM 0 HG1 THR A 61 9.558 4.250 -8.565 1.00 1.25 H new ATOM 0 HG21 THR A 61 11.791 4.923 -8.066 1.00 1.07 H new ATOM 0 HG22 THR A 61 12.235 5.047 -6.347 1.00 1.07 H new ATOM 0 HG23 THR A 61 11.977 3.449 -7.087 1.00 1.07 H new ATOM 892 N ASP A 62 8.480 5.406 -4.017 1.00 0.17 N ATOM 893 CA ASP A 62 7.212 5.911 -3.504 1.00 0.18 C ATOM 894 C ASP A 62 6.261 6.257 -4.644 1.00 0.17 C ATOM 895 O ASP A 62 5.042 6.145 -4.504 1.00 0.18 O ATOM 896 CB ASP A 62 7.448 7.145 -2.632 1.00 0.23 C ATOM 897 CG ASP A 62 8.158 8.255 -3.380 1.00 0.25 C ATOM 898 OD1 ASP A 62 7.467 9.080 -4.013 1.00 0.28 O ATOM 899 OD2 ASP A 62 9.405 8.301 -3.332 1.00 0.29 O ATOM 0 H ASP A 62 9.298 5.924 -3.697 1.00 0.17 H new ATOM 0 HA ASP A 62 6.756 5.127 -2.900 1.00 0.18 H new ATOM 0 HB2 ASP A 62 6.491 7.514 -2.263 1.00 0.23 H new ATOM 0 HB3 ASP A 62 8.038 6.863 -1.760 1.00 0.23 H new ATOM 904 N ASP A 63 6.823 6.681 -5.772 1.00 0.22 N ATOM 905 CA ASP A 63 6.038 7.042 -6.934 1.00 0.27 C ATOM 906 C ASP A 63 5.189 5.865 -7.403 1.00 0.25 C ATOM 907 O ASP A 63 4.163 6.048 -8.058 1.00 0.32 O ATOM 908 CB ASP A 63 6.973 7.497 -8.049 1.00 0.36 C ATOM 909 CG ASP A 63 7.742 8.751 -7.684 1.00 1.08 C ATOM 910 OD1 ASP A 63 7.206 9.859 -7.894 1.00 1.39 O ATOM 911 OD2 ASP A 63 8.881 8.624 -7.187 1.00 1.76 O ATOM 0 H ASP A 63 7.830 6.782 -5.900 1.00 0.22 H new ATOM 0 HA ASP A 63 5.364 7.856 -6.668 1.00 0.27 H new ATOM 0 HB2 ASP A 63 7.677 6.697 -8.278 1.00 0.36 H new ATOM 0 HB3 ASP A 63 6.393 7.680 -8.953 1.00 0.36 H new ATOM 916 N CYS A 64 5.625 4.657 -7.060 1.00 0.25 N ATOM 917 CA CYS A 64 4.906 3.448 -7.441 1.00 0.28 C ATOM 918 C CYS A 64 4.262 2.790 -6.224 1.00 0.25 C ATOM 919 O CYS A 64 3.612 1.751 -6.342 1.00 0.31 O ATOM 920 CB CYS A 64 5.848 2.462 -8.135 1.00 0.32 C ATOM 921 SG CYS A 64 5.033 0.932 -8.702 1.00 0.41 S ATOM 0 H CYS A 64 6.473 4.490 -6.519 1.00 0.25 H new ATOM 0 HA CYS A 64 4.116 3.731 -8.137 1.00 0.28 H new ATOM 0 HB2 CYS A 64 6.307 2.956 -8.991 1.00 0.32 H new ATOM 0 HB3 CYS A 64 6.653 2.200 -7.448 1.00 0.32 H new ATOM 926 N ASN A 65 4.435 3.403 -5.052 1.00 0.24 N ATOM 927 CA ASN A 65 3.851 2.865 -3.827 1.00 0.24 C ATOM 928 C ASN A 65 3.016 3.912 -3.081 1.00 0.25 C ATOM 929 O ASN A 65 3.222 4.129 -1.883 1.00 0.35 O ATOM 930 CB ASN A 65 4.942 2.329 -2.900 1.00 0.25 C ATOM 931 CG ASN A 65 4.430 1.220 -1.999 1.00 0.67 C ATOM 932 OD1 ASN A 65 4.586 0.040 -2.309 1.00 1.59 O ATOM 933 ND2 ASN A 65 3.803 1.590 -0.885 1.00 0.46 N ATOM 0 H ASN A 65 4.969 4.263 -4.927 1.00 0.24 H new ATOM 0 HA ASN A 65 3.190 2.050 -4.122 1.00 0.24 H new ATOM 0 HB2 ASN A 65 5.774 1.956 -3.497 1.00 0.25 H new ATOM 0 HB3 ASN A 65 5.330 3.143 -2.288 1.00 0.25 H new ATOM 0 HD21 ASN A 65 3.430 0.883 -0.251 1.00 0.46 H new ATOM 0 HD22 ASN A 65 3.695 2.580 -0.665 1.00 0.46 H new ATOM 940 N PRO A 66 2.081 4.595 -3.777 1.00 0.25 N ATOM 941 CA PRO A 66 1.206 5.586 -3.172 1.00 0.29 C ATOM 942 C PRO A 66 -0.159 4.989 -2.848 1.00 0.31 C ATOM 943 O PRO A 66 -0.297 3.772 -2.729 1.00 0.64 O ATOM 944 CB PRO A 66 1.088 6.596 -4.304 1.00 0.34 C ATOM 945 CG PRO A 66 0.997 5.740 -5.522 1.00 0.46 C ATOM 946 CD PRO A 66 1.816 4.501 -5.228 1.00 0.30 C ATOM 0 HA PRO A 66 1.575 5.993 -2.230 1.00 0.29 H new ATOM 0 HB2 PRO A 66 0.207 7.227 -4.189 1.00 0.34 H new ATOM 0 HB3 PRO A 66 1.952 7.259 -4.343 1.00 0.34 H new ATOM 0 HG2 PRO A 66 -0.039 5.480 -5.739 1.00 0.46 H new ATOM 0 HG3 PRO A 66 1.383 6.264 -6.396 1.00 0.46 H new ATOM 0 HD2 PRO A 66 1.270 3.591 -5.478 1.00 0.30 H new ATOM 0 HD3 PRO A 66 2.741 4.486 -5.804 1.00 0.30 H new ATOM 954 N HIS A 67 -1.164 5.845 -2.703 1.00 0.26 N ATOM 955 CA HIS A 67 -2.517 5.383 -2.426 1.00 0.30 C ATOM 956 C HIS A 67 -3.289 5.227 -3.739 1.00 0.39 C ATOM 957 O HIS A 67 -3.651 6.221 -4.370 1.00 0.56 O ATOM 958 CB HIS A 67 -3.239 6.365 -1.502 1.00 0.39 C ATOM 959 CG HIS A 67 -4.293 5.716 -0.662 1.00 0.44 C ATOM 960 ND1 HIS A 67 -5.643 5.916 -0.854 1.00 0.59 N ATOM 961 CD2 HIS A 67 -4.185 4.853 0.373 1.00 0.46 C ATOM 962 CE1 HIS A 67 -6.320 5.203 0.028 1.00 0.64 C ATOM 963 NE2 HIS A 67 -5.459 4.549 0.785 1.00 0.56 N ATOM 0 H HIS A 67 -1.067 6.858 -2.772 1.00 0.26 H new ATOM 0 HA HIS A 67 -2.464 4.416 -1.926 1.00 0.30 H new ATOM 0 HB2 HIS A 67 -2.509 6.845 -0.851 1.00 0.39 H new ATOM 0 HB3 HIS A 67 -3.695 7.151 -2.103 1.00 0.39 H new ATOM 0 HD2 HIS A 67 -3.267 4.473 0.797 1.00 0.46 H new ATOM 0 HE1 HIS A 67 -7.396 5.162 0.115 1.00 0.64 H new ATOM 0 HE2 HIS A 67 -5.701 3.920 1.551 1.00 0.56 H new ATOM 972 N PRO A 68 -3.548 3.975 -4.176 1.00 0.43 N ATOM 973 CA PRO A 68 -4.263 3.700 -5.432 1.00 0.57 C ATOM 974 C PRO A 68 -5.567 4.478 -5.570 1.00 0.75 C ATOM 975 O PRO A 68 -6.028 4.736 -6.681 1.00 0.94 O ATOM 976 CB PRO A 68 -4.532 2.198 -5.346 1.00 0.71 C ATOM 977 CG PRO A 68 -3.397 1.682 -4.543 1.00 0.86 C ATOM 978 CD PRO A 68 -3.180 2.721 -3.484 1.00 0.53 C ATOM 0 HA PRO A 68 -3.683 4.004 -6.304 1.00 0.57 H new ATOM 0 HB2 PRO A 68 -5.489 1.990 -4.867 1.00 0.71 H new ATOM 0 HB3 PRO A 68 -4.564 1.740 -6.335 1.00 0.71 H new ATOM 0 HG2 PRO A 68 -3.630 0.712 -4.105 1.00 0.86 H new ATOM 0 HG3 PRO A 68 -2.506 1.549 -5.156 1.00 0.86 H new ATOM 0 HD2 PRO A 68 -3.805 2.543 -2.609 1.00 0.53 H new ATOM 0 HD3 PRO A 68 -2.146 2.738 -3.139 1.00 0.53 H new ATOM 986 N LYS A 69 -6.163 4.848 -4.440 1.00 0.84 N ATOM 987 CA LYS A 69 -7.409 5.600 -4.452 1.00 1.10 C ATOM 988 C LYS A 69 -7.198 6.978 -5.077 1.00 1.38 C ATOM 989 O LYS A 69 -6.092 7.516 -5.037 1.00 2.19 O ATOM 990 CB LYS A 69 -7.944 5.738 -3.029 1.00 1.36 C ATOM 991 CG LYS A 69 -9.348 6.309 -2.951 1.00 1.66 C ATOM 992 CD LYS A 69 -9.836 6.367 -1.515 1.00 2.44 C ATOM 993 CE LYS A 69 -10.185 4.983 -0.987 1.00 2.83 C ATOM 994 NZ LYS A 69 -11.288 4.355 -1.764 1.00 3.36 N ATOM 0 H LYS A 69 -5.803 4.639 -3.509 1.00 0.84 H new ATOM 0 HA LYS A 69 -8.139 5.060 -5.055 1.00 1.10 H new ATOM 0 HB2 LYS A 69 -7.934 4.758 -2.551 1.00 1.36 H new ATOM 0 HB3 LYS A 69 -7.270 6.378 -2.459 1.00 1.36 H new ATOM 0 HG2 LYS A 69 -9.361 7.309 -3.383 1.00 1.66 H new ATOM 0 HG3 LYS A 69 -10.027 5.696 -3.544 1.00 1.66 H new ATOM 0 HD2 LYS A 69 -9.066 6.814 -0.886 1.00 2.44 H new ATOM 0 HD3 LYS A 69 -10.712 7.012 -1.453 1.00 2.44 H new ATOM 0 HE2 LYS A 69 -9.302 4.345 -1.029 1.00 2.83 H new ATOM 0 HE3 LYS A 69 -10.475 5.057 0.061 1.00 2.83 H new ATOM 0 HZ1 LYS A 69 -11.734 3.609 -1.193 1.00 3.36 H new ATOM 0 HZ2 LYS A 69 -11.997 5.077 -2.006 1.00 3.36 H new ATOM 0 HZ3 LYS A 69 -10.905 3.939 -2.637 1.00 3.36 H new ATOM 1008 N GLN A 70 -8.270 7.545 -5.634 1.00 1.57 N ATOM 1009 CA GLN A 70 -8.226 8.846 -6.278 1.00 2.17 C ATOM 1010 C GLN A 70 -6.949 9.043 -7.094 1.00 2.55 C ATOM 1011 O GLN A 70 -5.932 9.505 -6.575 1.00 3.19 O ATOM 1012 CB GLN A 70 -8.358 9.936 -5.230 1.00 2.94 C ATOM 1013 CG GLN A 70 -9.640 9.858 -4.418 1.00 3.68 C ATOM 1014 CD GLN A 70 -9.760 10.984 -3.406 1.00 4.63 C ATOM 1015 OE1 GLN A 70 -9.196 12.142 -3.734 1.00 5.09 O flip ATOM 1016 NE2 GLN A 70 -10.358 10.816 -2.343 1.00 5.32 N flip ATOM 0 H GLN A 70 -9.192 7.109 -5.648 1.00 1.57 H new ATOM 0 HA GLN A 70 -9.061 8.903 -6.976 1.00 2.17 H new ATOM 0 HB2 GLN A 70 -7.506 9.880 -4.552 1.00 2.94 H new ATOM 0 HB3 GLN A 70 -8.310 10.907 -5.722 1.00 2.94 H new ATOM 0 HG2 GLN A 70 -10.495 9.888 -5.093 1.00 3.68 H new ATOM 0 HG3 GLN A 70 -9.678 8.901 -3.897 1.00 3.68 H new ATOM 0 HE21 GLN A 70 -10.777 9.910 -2.131 1.00 5.32 H new ATOM 0 HE22 GLN A 70 -10.435 11.583 -1.674 1.00 5.32 H new ATOM 1025 N LYS A 71 -7.013 8.696 -8.376 1.00 2.93 N ATOM 1026 CA LYS A 71 -5.864 8.835 -9.265 1.00 3.85 C ATOM 1027 C LYS A 71 -6.011 10.067 -10.152 1.00 4.58 C ATOM 1028 O LYS A 71 -7.027 10.761 -10.102 1.00 4.73 O ATOM 1029 CB LYS A 71 -5.706 7.585 -10.131 1.00 4.52 C ATOM 1030 CG LYS A 71 -5.644 6.295 -9.330 1.00 4.94 C ATOM 1031 CD LYS A 71 -5.469 5.082 -10.230 1.00 5.74 C ATOM 1032 CE LYS A 71 -4.069 5.019 -10.818 1.00 6.70 C ATOM 1033 NZ LYS A 71 -3.024 4.952 -9.758 1.00 7.04 N ATOM 0 H LYS A 71 -7.848 8.317 -8.822 1.00 2.93 H new ATOM 0 HA LYS A 71 -4.973 8.955 -8.649 1.00 3.85 H new ATOM 0 HB2 LYS A 71 -6.541 7.529 -10.830 1.00 4.52 H new ATOM 0 HB3 LYS A 71 -4.797 7.678 -10.726 1.00 4.52 H new ATOM 0 HG2 LYS A 71 -4.816 6.345 -8.622 1.00 4.94 H new ATOM 0 HG3 LYS A 71 -6.557 6.186 -8.745 1.00 4.94 H new ATOM 0 HD2 LYS A 71 -5.666 4.174 -9.660 1.00 5.74 H new ATOM 0 HD3 LYS A 71 -6.202 5.118 -11.036 1.00 5.74 H new ATOM 0 HE2 LYS A 71 -3.986 4.146 -11.465 1.00 6.70 H new ATOM 0 HE3 LYS A 71 -3.897 5.896 -11.442 1.00 6.70 H new ATOM 0 HZ1 LYS A 71 -2.148 4.561 -10.159 1.00 7.04 H new ATOM 0 HZ2 LYS A 71 -2.841 5.907 -9.390 1.00 7.04 H new ATOM 0 HZ3 LYS A 71 -3.353 4.341 -8.984 1.00 7.04 H new ATOM 1047 N ARG A 72 -4.992 10.331 -10.964 1.00 5.45 N ATOM 1048 CA ARG A 72 -5.009 11.479 -11.864 1.00 6.44 C ATOM 1049 C ARG A 72 -4.971 11.030 -13.324 1.00 7.13 C ATOM 1050 O ARG A 72 -3.894 10.851 -13.895 1.00 7.26 O ATOM 1051 CB ARG A 72 -3.821 12.399 -11.569 1.00 7.19 C ATOM 1052 CG ARG A 72 -3.836 12.983 -10.165 1.00 7.48 C ATOM 1053 CD ARG A 72 -4.979 13.971 -9.983 1.00 8.35 C ATOM 1054 NE ARG A 72 -4.837 15.136 -10.853 1.00 8.63 N ATOM 1055 CZ ARG A 72 -5.768 16.075 -10.984 1.00 9.54 C ATOM 1056 NH1 ARG A 72 -6.906 15.987 -10.309 1.00 10.19 N ATOM 1057 NH2 ARG A 72 -5.560 17.107 -11.792 1.00 9.98 N ATOM 0 H ARG A 72 -4.145 9.766 -11.017 1.00 5.45 H new ATOM 0 HA ARG A 72 -5.936 12.027 -11.697 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -2.896 11.840 -11.711 1.00 7.19 H new ATOM 0 HB3 ARG A 72 -3.815 13.214 -12.292 1.00 7.19 H new ATOM 0 HG2 ARG A 72 -3.930 12.178 -9.436 1.00 7.48 H new ATOM 0 HG3 ARG A 72 -2.887 13.482 -9.968 1.00 7.48 H new ATOM 0 HD2 ARG A 72 -5.926 13.474 -10.194 1.00 8.35 H new ATOM 0 HD3 ARG A 72 -5.015 14.297 -8.943 1.00 8.35 H new ATOM 0 HE ARG A 72 -3.975 15.234 -11.390 1.00 8.63 H new ATOM 0 HH11 ARG A 72 -7.070 15.196 -9.686 1.00 10.19 H new ATOM 0 HH12 ARG A 72 -7.618 16.710 -10.413 1.00 10.19 H new ATOM 0 HH21 ARG A 72 -4.686 17.179 -12.312 1.00 9.98 H new ATOM 0 HH22 ARG A 72 -6.274 17.828 -11.893 1.00 9.98 H new ATOM 1071 N PRO A 73 -6.148 10.833 -13.949 1.00 7.88 N ATOM 1072 CA PRO A 73 -6.233 10.404 -15.347 1.00 8.80 C ATOM 1073 C PRO A 73 -5.943 11.541 -16.323 1.00 9.54 C ATOM 1074 O PRO A 73 -6.892 12.267 -16.687 1.00 9.91 O ATOM 1075 CB PRO A 73 -7.683 9.938 -15.478 1.00 9.55 C ATOM 1076 CG PRO A 73 -8.432 10.760 -14.487 1.00 9.27 C ATOM 1077 CD PRO A 73 -7.484 11.005 -13.343 1.00 8.18 C ATOM 1078 OXT PRO A 73 -4.768 11.694 -16.716 1.00 9.93 O ATOM 0 HA PRO A 73 -5.498 9.635 -15.587 1.00 8.80 H new ATOM 0 HB2 PRO A 73 -8.060 10.094 -16.489 1.00 9.55 H new ATOM 0 HB3 PRO A 73 -7.778 8.874 -15.263 1.00 9.55 H new ATOM 0 HG2 PRO A 73 -8.759 11.701 -14.930 1.00 9.27 H new ATOM 0 HG3 PRO A 73 -9.327 10.239 -14.146 1.00 9.27 H new ATOM 0 HD2 PRO A 73 -7.609 12.005 -12.927 1.00 8.18 H new ATOM 0 HD3 PRO A 73 -7.648 10.299 -12.529 1.00 8.18 H new TER 1086 PRO A 73