USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 684 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 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 17 SER OG : rot -130:sc= 1.83 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00161 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc=-0.00487 X(o=-0.0049,f=-0.0089) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 39:sc= 0.049 USER MOD Single : A 25 TYR OH : rot 15:sc= 0.427 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -170:sc= 0.113 USER MOD Single : A 32 SER OG : rot -150:sc= -0.511 USER MOD Single : A 37 ASN : amide:sc= -2.21 K(o=-2.2,f=0.62) USER MOD Single : A 41 SER OG : rot 97:sc= 1.2 USER MOD Single : A 42 SER OG : rot -102:sc= -0.214 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.4!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -54:sc= 0.895 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 40:sc= -0.58 USER MOD Single : A 77 ASN : amide:sc= -1.44! C(o=-1.4!,f=-1.9!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.82 USER MOD Single : A 81 SER OG : rot 55:sc= 1.12 USER MOD Single : A 85 SER OG : rot -35:sc= -0.534! USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -0.0891 (180deg=-0.432) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -81:sc= 0.435 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00471 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.943 1.264 -4.199 1.00 13.33 N ATOM 2 CA GLY A 1 3.222 0.632 -3.936 1.00 30.42 C ATOM 3 C GLY A 1 3.802 1.032 -2.594 1.00 1.30 C ATOM 4 O GLY A 1 3.363 0.548 -1.552 1.00 14.03 O ATOM 0 H1 GLY A 1 1.589 0.958 -5.128 1.00 13.33 H new ATOM 0 H2 GLY A 1 1.262 0.990 -3.462 1.00 13.33 H new ATOM 0 H3 GLY A 1 2.059 2.297 -4.196 1.00 13.33 H new ATOM 0 HA2 GLY A 1 3.102 -0.451 -3.968 1.00 30.42 H new ATOM 0 HA3 GLY A 1 3.924 0.898 -4.726 1.00 30.42 H new ATOM 8 N GLU A 2 4.793 1.918 -2.620 1.00 62.10 N ATOM 9 CA GLU A 2 5.436 2.381 -1.395 1.00 74.35 C ATOM 10 C GLU A 2 5.658 3.890 -1.434 1.00 75.04 C ATOM 11 O GLU A 2 5.763 4.486 -2.506 1.00 43.43 O ATOM 12 CB GLU A 2 6.771 1.663 -1.191 1.00 63.22 C ATOM 13 CG GLU A 2 6.701 0.519 -0.194 1.00 22.32 C ATOM 14 CD GLU A 2 7.036 0.955 1.219 1.00 1.32 C ATOM 15 OE1 GLU A 2 6.365 1.876 1.730 1.00 54.32 O ATOM 16 OE2 GLU A 2 7.969 0.377 1.814 1.00 22.21 O ATOM 0 H GLU A 2 5.168 2.329 -3.475 1.00 62.10 H new ATOM 0 HA GLU A 2 4.776 2.150 -0.559 1.00 74.35 H new ATOM 0 HB2 GLU A 2 7.117 1.277 -2.150 1.00 63.22 H new ATOM 0 HB3 GLU A 2 7.514 2.385 -0.851 1.00 63.22 H new ATOM 0 HG2 GLU A 2 5.699 0.089 -0.210 1.00 22.32 H new ATOM 0 HG3 GLU A 2 7.390 -0.268 -0.500 1.00 22.32 H new ATOM 23 N LYS A 3 5.727 4.502 -0.257 1.00 55.32 N ATOM 24 CA LYS A 3 5.936 5.942 -0.154 1.00 64.50 C ATOM 25 C LYS A 3 7.274 6.250 0.511 1.00 10.01 C ATOM 26 O LYS A 3 7.444 7.301 1.129 1.00 3.35 O ATOM 27 CB LYS A 3 4.799 6.588 0.640 1.00 71.11 C ATOM 28 CG LYS A 3 4.762 6.170 2.100 1.00 43.52 C ATOM 29 CD LYS A 3 3.357 6.259 2.670 1.00 13.21 C ATOM 30 CE LYS A 3 3.328 5.879 4.143 1.00 74.14 C ATOM 31 NZ LYS A 3 2.705 6.943 4.978 1.00 73.30 N ATOM 0 H LYS A 3 5.641 4.023 0.640 1.00 55.32 H new ATOM 0 HA LYS A 3 5.947 6.356 -1.162 1.00 64.50 H new ATOM 0 HB2 LYS A 3 4.898 7.672 0.584 1.00 71.11 H new ATOM 0 HB3 LYS A 3 3.849 6.330 0.173 1.00 71.11 H new ATOM 0 HG2 LYS A 3 5.131 5.149 2.196 1.00 43.52 H new ATOM 0 HG3 LYS A 3 5.431 6.807 2.679 1.00 43.52 H new ATOM 0 HD2 LYS A 3 2.977 7.273 2.547 1.00 13.21 H new ATOM 0 HD3 LYS A 3 2.694 5.600 2.110 1.00 13.21 H new ATOM 0 HE2 LYS A 3 2.774 4.949 4.267 1.00 74.14 H new ATOM 0 HE3 LYS A 3 4.344 5.693 4.490 1.00 74.14 H new ATOM 0 HZ1 LYS A 3 2.704 6.646 5.975 1.00 73.30 H new ATOM 0 HZ2 LYS A 3 3.248 7.824 4.880 1.00 73.30 H new ATOM 0 HZ3 LYS A 3 1.727 7.103 4.664 1.00 73.30 H new ATOM 45 N THR A 4 8.222 5.328 0.379 1.00 22.40 N ATOM 46 CA THR A 4 9.545 5.501 0.967 1.00 54.33 C ATOM 47 C THR A 4 10.634 4.988 0.032 1.00 55.15 C ATOM 48 O THR A 4 10.484 3.940 -0.596 1.00 74.31 O ATOM 49 CB THR A 4 9.659 4.772 2.318 1.00 32.35 C ATOM 50 OG1 THR A 4 9.513 3.360 2.127 1.00 2.11 O ATOM 51 CG2 THR A 4 8.601 5.268 3.293 1.00 41.35 C ATOM 0 H THR A 4 8.098 4.453 -0.130 1.00 22.40 H new ATOM 0 HA THR A 4 9.682 6.570 1.127 1.00 54.33 H new ATOM 0 HB THR A 4 10.643 4.982 2.736 1.00 32.35 H new ATOM 0 HG1 THR A 4 9.588 2.904 2.991 1.00 2.11 H new ATOM 0 HG21 THR A 4 8.702 4.738 4.240 1.00 41.35 H new ATOM 0 HG22 THR A 4 8.732 6.337 3.460 1.00 41.35 H new ATOM 0 HG23 THR A 4 7.610 5.085 2.879 1.00 41.35 H new ATOM 59 N VAL A 5 11.731 5.733 -0.057 1.00 12.22 N ATOM 60 CA VAL A 5 12.847 5.352 -0.914 1.00 54.25 C ATOM 61 C VAL A 5 13.879 4.537 -0.144 1.00 34.52 C ATOM 62 O VAL A 5 14.341 4.946 0.921 1.00 10.22 O ATOM 63 CB VAL A 5 13.535 6.589 -1.522 1.00 24.21 C ATOM 64 CG1 VAL A 5 14.091 7.484 -0.425 1.00 34.15 C ATOM 65 CG2 VAL A 5 14.635 6.167 -2.484 1.00 61.43 C ATOM 0 H VAL A 5 11.871 6.604 0.454 1.00 12.22 H new ATOM 0 HA VAL A 5 12.435 4.742 -1.718 1.00 54.25 H new ATOM 0 HB VAL A 5 12.792 7.158 -2.081 1.00 24.21 H new ATOM 0 HG11 VAL A 5 14.573 8.353 -0.874 1.00 34.15 H new ATOM 0 HG12 VAL A 5 13.278 7.814 0.222 1.00 34.15 H new ATOM 0 HG13 VAL A 5 14.820 6.928 0.164 1.00 34.15 H new ATOM 0 HG21 VAL A 5 15.110 7.053 -2.904 1.00 61.43 H new ATOM 0 HG22 VAL A 5 15.378 5.575 -1.950 1.00 61.43 H new ATOM 0 HG23 VAL A 5 14.206 5.570 -3.288 1.00 61.43 H new ATOM 75 N LYS A 6 14.237 3.379 -0.689 1.00 51.12 N ATOM 76 CA LYS A 6 15.216 2.505 -0.055 1.00 62.41 C ATOM 77 C LYS A 6 16.612 2.753 -0.617 1.00 3.51 C ATOM 78 O LYS A 6 16.924 2.346 -1.737 1.00 32.43 O ATOM 79 CB LYS A 6 14.828 1.038 -0.257 1.00 55.32 C ATOM 80 CG LYS A 6 13.383 0.736 0.104 1.00 5.53 C ATOM 81 CD LYS A 6 12.537 0.495 -1.135 1.00 3.05 C ATOM 82 CE LYS A 6 11.053 0.492 -0.804 1.00 32.25 C ATOM 83 NZ LYS A 6 10.607 -0.824 -0.269 1.00 34.43 N ATOM 0 H LYS A 6 13.863 3.024 -1.569 1.00 51.12 H new ATOM 0 HA LYS A 6 15.227 2.729 1.012 1.00 62.41 H new ATOM 0 HB2 LYS A 6 14.998 0.766 -1.299 1.00 55.32 H new ATOM 0 HB3 LYS A 6 15.483 0.411 0.347 1.00 55.32 H new ATOM 0 HG2 LYS A 6 13.344 -0.142 0.749 1.00 5.53 H new ATOM 0 HG3 LYS A 6 12.968 1.568 0.673 1.00 5.53 H new ATOM 0 HD2 LYS A 6 12.744 1.268 -1.875 1.00 3.05 H new ATOM 0 HD3 LYS A 6 12.812 -0.459 -1.585 1.00 3.05 H new ATOM 0 HE2 LYS A 6 10.843 1.272 -0.072 1.00 32.25 H new ATOM 0 HE3 LYS A 6 10.481 0.733 -1.700 1.00 32.25 H new ATOM 0 HZ1 LYS A 6 9.590 -0.785 -0.056 1.00 34.43 H new ATOM 0 HZ2 LYS A 6 10.784 -1.565 -0.977 1.00 34.43 H new ATOM 0 HZ3 LYS A 6 11.135 -1.042 0.600 1.00 34.43 H new ATOM 97 N LEU A 7 17.450 3.423 0.167 1.00 13.41 N ATOM 98 CA LEU A 7 18.814 3.725 -0.252 1.00 1.23 C ATOM 99 C LEU A 7 19.699 2.486 -0.159 1.00 11.21 C ATOM 100 O LEU A 7 19.720 1.801 0.864 1.00 75.12 O ATOM 101 CB LEU A 7 19.396 4.847 0.609 1.00 5.43 C ATOM 102 CG LEU A 7 18.419 5.944 1.034 1.00 32.54 C ATOM 103 CD1 LEU A 7 19.149 7.050 1.779 1.00 13.43 C ATOM 104 CD2 LEU A 7 17.688 6.505 -0.176 1.00 52.14 C ATOM 0 H LEU A 7 17.209 3.767 1.096 1.00 13.41 H new ATOM 0 HA LEU A 7 18.785 4.051 -1.292 1.00 1.23 H new ATOM 0 HB2 LEU A 7 19.825 4.403 1.507 1.00 5.43 H new ATOM 0 HB3 LEU A 7 20.215 5.311 0.060 1.00 5.43 H new ATOM 0 HG LEU A 7 17.682 5.506 1.707 1.00 32.54 H new ATOM 0 HD11 LEU A 7 18.437 7.821 2.073 1.00 13.43 H new ATOM 0 HD12 LEU A 7 19.625 6.637 2.668 1.00 13.43 H new ATOM 0 HD13 LEU A 7 19.909 7.486 1.130 1.00 13.43 H new ATOM 0 HD21 LEU A 7 16.997 7.284 0.145 1.00 52.14 H new ATOM 0 HD22 LEU A 7 18.411 6.926 -0.875 1.00 52.14 H new ATOM 0 HD23 LEU A 7 17.132 5.707 -0.667 1.00 52.14 H new ATOM 116 N TYR A 8 20.430 2.206 -1.232 1.00 72.00 N ATOM 117 CA TYR A 8 21.317 1.049 -1.272 1.00 12.51 C ATOM 118 C TYR A 8 22.779 1.485 -1.310 1.00 35.14 C ATOM 119 O TYR A 8 23.141 2.417 -2.027 1.00 31.14 O ATOM 120 CB TYR A 8 21.001 0.180 -2.490 1.00 33.32 C ATOM 121 CG TYR A 8 20.353 -1.141 -2.139 1.00 54.42 C ATOM 122 CD1 TYR A 8 21.098 -2.181 -1.598 1.00 44.22 C ATOM 123 CD2 TYR A 8 18.995 -1.348 -2.350 1.00 21.42 C ATOM 124 CE1 TYR A 8 20.511 -3.389 -1.277 1.00 32.11 C ATOM 125 CE2 TYR A 8 18.399 -2.553 -2.030 1.00 51.21 C ATOM 126 CZ TYR A 8 19.161 -3.570 -1.494 1.00 72.12 C ATOM 127 OH TYR A 8 18.571 -4.772 -1.176 1.00 11.22 O ATOM 0 H TYR A 8 20.426 2.764 -2.086 1.00 72.00 H new ATOM 0 HA TYR A 8 21.154 0.466 -0.366 1.00 12.51 H new ATOM 0 HB2 TYR A 8 20.341 0.733 -3.159 1.00 33.32 H new ATOM 0 HB3 TYR A 8 21.923 -0.011 -3.039 1.00 33.32 H new ATOM 0 HD1 TYR A 8 22.155 -2.042 -1.425 1.00 44.22 H new ATOM 0 HD2 TYR A 8 18.396 -0.554 -2.771 1.00 21.42 H new ATOM 0 HE1 TYR A 8 21.106 -4.188 -0.858 1.00 32.11 H new ATOM 0 HE2 TYR A 8 17.342 -2.698 -2.199 1.00 51.21 H new ATOM 0 HH TYR A 8 17.615 -4.734 -1.390 1.00 11.22 H new ATOM 137 N GLU A 9 23.613 0.802 -0.532 1.00 11.11 N ATOM 138 CA GLU A 9 25.035 1.118 -0.476 1.00 3.11 C ATOM 139 C GLU A 9 25.739 0.687 -1.759 1.00 44.33 C ATOM 140 O GLU A 9 26.821 1.180 -2.082 1.00 74.32 O ATOM 141 CB GLU A 9 25.685 0.435 0.729 1.00 1.03 C ATOM 142 CG GLU A 9 25.923 -1.052 0.531 1.00 70.54 C ATOM 143 CD GLU A 9 25.753 -1.847 1.811 1.00 5.53 C ATOM 144 OE1 GLU A 9 26.510 -1.591 2.772 1.00 42.05 O ATOM 145 OE2 GLU A 9 24.865 -2.723 1.854 1.00 42.05 O ATOM 0 H GLU A 9 23.329 0.027 0.067 1.00 11.11 H new ATOM 0 HA GLU A 9 25.137 2.198 -0.371 1.00 3.11 H new ATOM 0 HB2 GLU A 9 26.637 0.921 0.942 1.00 1.03 H new ATOM 0 HB3 GLU A 9 25.051 0.579 1.604 1.00 1.03 H new ATOM 0 HG2 GLU A 9 25.230 -1.430 -0.221 1.00 70.54 H new ATOM 0 HG3 GLU A 9 26.930 -1.206 0.143 1.00 70.54 H new ATOM 152 N ASP A 10 25.119 -0.235 -2.486 1.00 73.14 N ATOM 153 CA ASP A 10 25.684 -0.733 -3.735 1.00 4.11 C ATOM 154 C ASP A 10 24.961 -0.133 -4.937 1.00 32.25 C ATOM 155 O ASP A 10 24.042 0.672 -4.784 1.00 10.53 O ATOM 156 CB ASP A 10 25.602 -2.259 -3.784 1.00 62.41 C ATOM 157 CG ASP A 10 26.959 -2.906 -3.981 1.00 22.21 C ATOM 158 OD1 ASP A 10 27.739 -2.955 -3.007 1.00 63.53 O ATOM 159 OD2 ASP A 10 27.241 -3.362 -5.109 1.00 24.30 O ATOM 0 H ASP A 10 24.224 -0.653 -2.232 1.00 73.14 H new ATOM 0 HA ASP A 10 26.731 -0.432 -3.777 1.00 4.11 H new ATOM 0 HB2 ASP A 10 25.159 -2.626 -2.858 1.00 62.41 H new ATOM 0 HB3 ASP A 10 24.939 -2.558 -4.596 1.00 62.41 H new ATOM 164 N THR A 11 25.382 -0.530 -6.133 1.00 71.54 N ATOM 165 CA THR A 11 24.776 -0.031 -7.361 1.00 62.03 C ATOM 166 C THR A 11 23.811 -1.052 -7.953 1.00 14.43 C ATOM 167 O THR A 11 22.896 -0.697 -8.697 1.00 35.14 O ATOM 168 CB THR A 11 25.845 0.317 -8.414 1.00 5.21 C ATOM 169 OG1 THR A 11 26.661 -0.829 -8.681 1.00 43.12 O ATOM 170 CG2 THR A 11 26.719 1.468 -7.938 1.00 21.14 C ATOM 0 H THR A 11 26.141 -1.196 -6.278 1.00 71.54 H new ATOM 0 HA THR A 11 24.228 0.873 -7.097 1.00 62.03 H new ATOM 0 HB THR A 11 25.337 0.622 -9.329 1.00 5.21 H new ATOM 0 HG1 THR A 11 27.337 -0.600 -9.353 1.00 43.12 H new ATOM 0 HG21 THR A 11 27.466 1.696 -8.698 1.00 21.14 H new ATOM 0 HG22 THR A 11 26.099 2.347 -7.763 1.00 21.14 H new ATOM 0 HG23 THR A 11 27.218 1.186 -7.011 1.00 21.14 H new ATOM 178 N HIS A 12 24.020 -2.321 -7.617 1.00 55.22 N ATOM 179 CA HIS A 12 23.166 -3.394 -8.115 1.00 13.43 C ATOM 180 C HIS A 12 22.423 -4.073 -6.968 1.00 50.01 C ATOM 181 O HIS A 12 22.165 -5.276 -7.009 1.00 33.14 O ATOM 182 CB HIS A 12 23.998 -4.423 -8.880 1.00 32.12 C ATOM 183 CG HIS A 12 23.210 -5.199 -9.889 1.00 73.44 C ATOM 184 ND1 HIS A 12 22.738 -4.648 -11.062 1.00 43.20 N ATOM 185 CD2 HIS A 12 22.812 -6.493 -9.898 1.00 21.24 C ATOM 186 CE1 HIS A 12 22.083 -5.568 -11.747 1.00 24.21 C ATOM 187 NE2 HIS A 12 22.114 -6.697 -11.062 1.00 71.43 N ATOM 0 H HIS A 12 24.773 -2.631 -7.003 1.00 55.22 H new ATOM 0 HA HIS A 12 22.432 -2.957 -8.792 1.00 13.43 H new ATOM 0 HB2 HIS A 12 24.817 -3.912 -9.386 1.00 32.12 H new ATOM 0 HB3 HIS A 12 24.446 -5.117 -8.169 1.00 32.12 H new ATOM 0 HD2 HIS A 12 23.007 -7.228 -9.131 1.00 21.24 H new ATOM 0 HE1 HIS A 12 21.604 -5.422 -12.704 1.00 24.21 H new ATOM 0 HE2 HIS A 12 21.688 -7.578 -11.351 1.00 71.43 H new ATOM 195 N PHE A 13 22.083 -3.294 -5.946 1.00 71.52 N ATOM 196 CA PHE A 13 21.372 -3.821 -4.787 1.00 74.34 C ATOM 197 C PHE A 13 22.083 -5.048 -4.224 1.00 4.45 C ATOM 198 O PHE A 13 21.481 -6.108 -4.058 1.00 32.45 O ATOM 199 CB PHE A 13 19.933 -4.182 -5.166 1.00 4.54 C ATOM 200 CG PHE A 13 19.247 -3.126 -5.984 1.00 54.02 C ATOM 201 CD1 PHE A 13 19.347 -1.788 -5.638 1.00 72.03 C ATOM 202 CD2 PHE A 13 18.501 -3.472 -7.100 1.00 2.41 C ATOM 203 CE1 PHE A 13 18.715 -0.815 -6.389 1.00 42.05 C ATOM 204 CE2 PHE A 13 17.868 -2.503 -7.855 1.00 54.22 C ATOM 205 CZ PHE A 13 17.976 -1.173 -7.500 1.00 13.40 C ATOM 0 H PHE A 13 22.288 -2.296 -5.897 1.00 71.52 H new ATOM 0 HA PHE A 13 21.356 -3.047 -4.019 1.00 74.34 H new ATOM 0 HB2 PHE A 13 19.937 -5.118 -5.725 1.00 4.54 H new ATOM 0 HB3 PHE A 13 19.359 -4.356 -4.256 1.00 4.54 H new ATOM 0 HD1 PHE A 13 19.925 -1.502 -4.772 1.00 72.03 H new ATOM 0 HD2 PHE A 13 18.414 -4.511 -7.383 1.00 2.41 H new ATOM 0 HE1 PHE A 13 18.799 0.224 -6.108 1.00 42.05 H new ATOM 0 HE2 PHE A 13 17.289 -2.786 -8.722 1.00 54.22 H new ATOM 0 HZ PHE A 13 17.484 -0.414 -8.090 1.00 13.40 H new ATOM 215 N LYS A 14 23.370 -4.895 -3.931 1.00 45.32 N ATOM 216 CA LYS A 14 24.167 -5.987 -3.385 1.00 73.54 C ATOM 217 C LYS A 14 24.519 -5.727 -1.924 1.00 74.22 C ATOM 218 O LYS A 14 25.692 -5.675 -1.558 1.00 31.50 O ATOM 219 CB LYS A 14 25.446 -6.172 -4.204 1.00 44.12 C ATOM 220 CG LYS A 14 26.006 -7.583 -4.149 1.00 11.14 C ATOM 221 CD LYS A 14 25.244 -8.522 -5.069 1.00 12.41 C ATOM 222 CE LYS A 14 25.691 -8.370 -6.515 1.00 2.34 C ATOM 223 NZ LYS A 14 26.001 -9.685 -7.141 1.00 34.04 N ATOM 0 H LYS A 14 23.884 -4.024 -4.063 1.00 45.32 H new ATOM 0 HA LYS A 14 23.573 -6.899 -3.440 1.00 73.54 H new ATOM 0 HB2 LYS A 14 25.243 -5.911 -5.243 1.00 44.12 H new ATOM 0 HB3 LYS A 14 26.203 -5.476 -3.842 1.00 44.12 H new ATOM 0 HG2 LYS A 14 27.058 -7.569 -4.433 1.00 11.14 H new ATOM 0 HG3 LYS A 14 25.957 -7.955 -3.126 1.00 11.14 H new ATOM 0 HD2 LYS A 14 25.396 -9.552 -4.746 1.00 12.41 H new ATOM 0 HD3 LYS A 14 24.176 -8.319 -4.994 1.00 12.41 H new ATOM 0 HE2 LYS A 14 24.908 -7.871 -7.087 1.00 2.34 H new ATOM 0 HE3 LYS A 14 26.573 -7.731 -6.557 1.00 2.34 H new ATOM 0 HZ1 LYS A 14 26.302 -9.538 -8.126 1.00 34.04 H new ATOM 0 HZ2 LYS A 14 26.765 -10.150 -6.611 1.00 34.04 H new ATOM 0 HZ3 LYS A 14 25.153 -10.286 -7.124 1.00 34.04 H new ATOM 237 N GLY A 15 23.494 -5.565 -1.093 1.00 34.22 N ATOM 238 CA GLY A 15 23.716 -5.314 0.319 1.00 41.20 C ATOM 239 C GLY A 15 22.426 -5.063 1.074 1.00 74.33 C ATOM 240 O GLY A 15 21.459 -5.812 0.930 1.00 30.33 O ATOM 0 H GLY A 15 22.514 -5.603 -1.372 1.00 34.22 H new ATOM 0 HA2 GLY A 15 24.231 -6.168 0.760 1.00 41.20 H new ATOM 0 HA3 GLY A 15 24.373 -4.452 0.432 1.00 41.20 H new ATOM 244 N TYR A 16 22.410 -4.009 1.881 1.00 14.40 N ATOM 245 CA TYR A 16 21.229 -3.664 2.665 1.00 44.23 C ATOM 246 C TYR A 16 20.607 -2.362 2.168 1.00 21.24 C ATOM 247 O TYR A 16 21.297 -1.497 1.631 1.00 43.55 O ATOM 248 CB TYR A 16 21.594 -3.536 4.145 1.00 73.12 C ATOM 249 CG TYR A 16 22.351 -2.270 4.475 1.00 51.30 C ATOM 250 CD1 TYR A 16 21.677 -1.093 4.779 1.00 33.33 C ATOM 251 CD2 TYR A 16 23.740 -2.249 4.482 1.00 40.03 C ATOM 252 CE1 TYR A 16 22.364 0.066 5.081 1.00 42.41 C ATOM 253 CE2 TYR A 16 24.436 -1.094 4.784 1.00 73.45 C ATOM 254 CZ TYR A 16 23.744 0.061 5.082 1.00 35.32 C ATOM 255 OH TYR A 16 24.433 1.213 5.382 1.00 51.30 O ATOM 0 H TYR A 16 23.201 -3.378 2.010 1.00 14.40 H new ATOM 0 HA TYR A 16 20.498 -4.463 2.546 1.00 44.23 H new ATOM 0 HB2 TYR A 16 20.681 -3.569 4.740 1.00 73.12 H new ATOM 0 HB3 TYR A 16 22.196 -4.396 4.438 1.00 73.12 H new ATOM 0 HD1 TYR A 16 20.597 -1.085 4.779 1.00 33.33 H new ATOM 0 HD2 TYR A 16 24.285 -3.151 4.247 1.00 40.03 H new ATOM 0 HE1 TYR A 16 21.824 0.972 5.315 1.00 42.41 H new ATOM 0 HE2 TYR A 16 25.516 -1.096 4.787 1.00 73.45 H new ATOM 0 HH TYR A 16 23.972 1.692 6.102 1.00 51.30 H new ATOM 265 N SER A 17 19.297 -2.232 2.354 1.00 4.31 N ATOM 266 CA SER A 17 18.580 -1.038 1.923 1.00 15.11 C ATOM 267 C SER A 17 17.914 -0.346 3.109 1.00 22.21 C ATOM 268 O SER A 17 17.409 -1.001 4.021 1.00 54.12 O ATOM 269 CB SER A 17 17.527 -1.401 0.874 1.00 50.12 C ATOM 270 OG SER A 17 17.437 -2.805 0.706 1.00 64.20 O ATOM 0 H SER A 17 18.711 -2.938 2.800 1.00 4.31 H new ATOM 0 HA SER A 17 19.302 -0.351 1.482 1.00 15.11 H new ATOM 0 HB2 SER A 17 16.557 -1.005 1.175 1.00 50.12 H new ATOM 0 HB3 SER A 17 17.781 -0.933 -0.077 1.00 50.12 H new ATOM 0 HG SER A 17 17.485 -3.024 -0.248 1.00 64.20 H new ATOM 276 N VAL A 18 17.919 0.983 3.090 1.00 73.04 N ATOM 277 CA VAL A 18 17.315 1.765 4.162 1.00 42.31 C ATOM 278 C VAL A 18 16.180 2.636 3.635 1.00 33.41 C ATOM 279 O VAL A 18 16.395 3.519 2.806 1.00 64.53 O ATOM 280 CB VAL A 18 18.356 2.664 4.856 1.00 64.53 C ATOM 281 CG1 VAL A 18 19.086 3.522 3.834 1.00 2.42 C ATOM 282 CG2 VAL A 18 17.691 3.530 5.915 1.00 62.53 C ATOM 0 H VAL A 18 18.335 1.541 2.344 1.00 73.04 H new ATOM 0 HA VAL A 18 16.918 1.054 4.887 1.00 42.31 H new ATOM 0 HB VAL A 18 19.090 2.027 5.350 1.00 64.53 H new ATOM 0 HG11 VAL A 18 19.817 4.150 4.342 1.00 2.42 H new ATOM 0 HG12 VAL A 18 19.596 2.879 3.117 1.00 2.42 H new ATOM 0 HG13 VAL A 18 18.368 4.153 3.309 1.00 2.42 H new ATOM 0 HG21 VAL A 18 18.441 4.158 6.395 1.00 62.53 H new ATOM 0 HG22 VAL A 18 16.935 4.161 5.447 1.00 62.53 H new ATOM 0 HG23 VAL A 18 17.220 2.892 6.663 1.00 62.53 H new ATOM 292 N GLU A 19 14.970 2.380 4.123 1.00 30.14 N ATOM 293 CA GLU A 19 13.800 3.141 3.701 1.00 70.31 C ATOM 294 C GLU A 19 13.323 4.068 4.815 1.00 54.02 C ATOM 295 O GLU A 19 13.444 3.749 5.998 1.00 11.24 O ATOM 296 CB GLU A 19 12.670 2.194 3.291 1.00 53.54 C ATOM 297 CG GLU A 19 11.984 1.520 4.467 1.00 73.25 C ATOM 298 CD GLU A 19 11.656 0.065 4.194 1.00 75.40 C ATOM 299 OE1 GLU A 19 12.596 -0.755 4.142 1.00 22.31 O ATOM 300 OE2 GLU A 19 10.459 -0.254 4.032 1.00 21.24 O ATOM 0 H GLU A 19 14.775 1.652 4.810 1.00 30.14 H new ATOM 0 HA GLU A 19 14.084 3.750 2.843 1.00 70.31 H new ATOM 0 HB2 GLU A 19 11.928 2.753 2.720 1.00 53.54 H new ATOM 0 HB3 GLU A 19 13.072 1.428 2.628 1.00 53.54 H new ATOM 0 HG2 GLU A 19 12.627 1.585 5.344 1.00 73.25 H new ATOM 0 HG3 GLU A 19 11.066 2.057 4.704 1.00 73.25 H new ATOM 307 N LEU A 20 12.780 5.217 4.428 1.00 40.12 N ATOM 308 CA LEU A 20 12.284 6.192 5.393 1.00 42.53 C ATOM 309 C LEU A 20 11.032 6.889 4.869 1.00 63.22 C ATOM 310 O LEU A 20 10.847 7.063 3.664 1.00 3.42 O ATOM 311 CB LEU A 20 13.366 7.229 5.702 1.00 22.51 C ATOM 312 CG LEU A 20 14.491 7.352 4.674 1.00 63.40 C ATOM 313 CD1 LEU A 20 14.997 8.784 4.605 1.00 52.32 C ATOM 314 CD2 LEU A 20 15.629 6.399 5.011 1.00 34.53 C ATOM 0 H LEU A 20 12.672 5.496 3.453 1.00 40.12 H new ATOM 0 HA LEU A 20 12.026 5.660 6.309 1.00 42.53 H new ATOM 0 HB2 LEU A 20 12.888 8.203 5.806 1.00 22.51 H new ATOM 0 HB3 LEU A 20 13.809 6.986 6.668 1.00 22.51 H new ATOM 0 HG LEU A 20 14.094 7.081 3.696 1.00 63.40 H new ATOM 0 HD11 LEU A 20 15.797 8.852 3.868 1.00 52.32 H new ATOM 0 HD12 LEU A 20 14.180 9.445 4.315 1.00 52.32 H new ATOM 0 HD13 LEU A 20 15.377 9.083 5.582 1.00 52.32 H new ATOM 0 HD21 LEU A 20 16.421 6.501 4.269 1.00 34.53 H new ATOM 0 HD22 LEU A 20 16.024 6.639 5.998 1.00 34.53 H new ATOM 0 HD23 LEU A 20 15.258 5.374 5.008 1.00 34.53 H new ATOM 326 N PRO A 21 10.152 7.299 5.794 1.00 71.20 N ATOM 327 CA PRO A 21 8.903 7.985 5.449 1.00 5.43 C ATOM 328 C PRO A 21 9.145 9.393 4.914 1.00 74.42 C ATOM 329 O PRO A 21 10.257 9.915 4.991 1.00 14.23 O ATOM 330 CB PRO A 21 8.150 8.042 6.781 1.00 64.22 C ATOM 331 CG PRO A 21 9.215 7.984 7.821 1.00 23.20 C ATOM 332 CD PRO A 21 10.308 7.124 7.248 1.00 53.12 C ATOM 0 HA PRO A 21 8.359 7.469 4.658 1.00 5.43 H new ATOM 0 HB2 PRO A 21 7.564 8.957 6.865 1.00 64.22 H new ATOM 0 HB3 PRO A 21 7.455 7.208 6.879 1.00 64.22 H new ATOM 0 HG2 PRO A 21 9.586 8.982 8.055 1.00 23.20 H new ATOM 0 HG3 PRO A 21 8.831 7.560 8.749 1.00 23.20 H new ATOM 0 HD2 PRO A 21 11.292 7.445 7.588 1.00 53.12 H new ATOM 0 HD3 PRO A 21 10.194 6.081 7.542 1.00 53.12 H new ATOM 340 N VAL A 22 8.096 10.002 4.371 1.00 55.05 N ATOM 341 CA VAL A 22 8.193 11.350 3.823 1.00 21.13 C ATOM 342 C VAL A 22 8.880 12.293 4.805 1.00 52.12 C ATOM 343 O VAL A 22 8.712 12.173 6.018 1.00 42.33 O ATOM 344 CB VAL A 22 6.804 11.915 3.472 1.00 60.12 C ATOM 345 CG1 VAL A 22 5.886 11.868 4.684 1.00 70.04 C ATOM 346 CG2 VAL A 22 6.926 13.335 2.940 1.00 71.23 C ATOM 0 H VAL A 22 7.169 9.583 4.299 1.00 55.05 H new ATOM 0 HA VAL A 22 8.788 11.280 2.913 1.00 21.13 H new ATOM 0 HB VAL A 22 6.366 11.295 2.690 1.00 60.12 H new ATOM 0 HG11 VAL A 22 4.909 12.271 4.417 1.00 70.04 H new ATOM 0 HG12 VAL A 22 5.774 10.836 5.016 1.00 70.04 H new ATOM 0 HG13 VAL A 22 6.316 12.463 5.489 1.00 70.04 H new ATOM 0 HG21 VAL A 22 5.935 13.719 2.697 1.00 71.23 H new ATOM 0 HG22 VAL A 22 7.385 13.969 3.698 1.00 71.23 H new ATOM 0 HG23 VAL A 22 7.545 13.336 2.043 1.00 71.23 H new ATOM 356 N GLY A 23 9.654 13.233 4.271 1.00 62.11 N ATOM 357 CA GLY A 23 10.355 14.184 5.114 1.00 71.10 C ATOM 358 C GLY A 23 11.746 14.500 4.600 1.00 34.51 C ATOM 359 O GLY A 23 12.230 13.859 3.667 1.00 40.21 O ATOM 0 H GLY A 23 9.808 13.353 3.270 1.00 62.11 H new ATOM 0 HA2 GLY A 23 9.776 15.105 5.176 1.00 71.10 H new ATOM 0 HA3 GLY A 23 10.427 13.784 6.125 1.00 71.10 H new ATOM 363 N ASP A 24 12.389 15.490 5.209 1.00 73.22 N ATOM 364 CA ASP A 24 13.732 15.890 4.807 1.00 42.01 C ATOM 365 C ASP A 24 14.757 15.489 5.863 1.00 3.42 C ATOM 366 O ASP A 24 14.492 15.571 7.063 1.00 71.13 O ATOM 367 CB ASP A 24 13.788 17.400 4.571 1.00 43.14 C ATOM 368 CG ASP A 24 12.850 18.164 5.484 1.00 41.31 C ATOM 369 OD1 ASP A 24 11.641 18.227 5.175 1.00 24.23 O ATOM 370 OD2 ASP A 24 13.324 18.699 6.508 1.00 43.03 O ATOM 0 H ASP A 24 12.002 16.030 5.983 1.00 73.22 H new ATOM 0 HA ASP A 24 13.975 15.376 3.877 1.00 42.01 H new ATOM 0 HB2 ASP A 24 14.808 17.751 4.727 1.00 43.14 H new ATOM 0 HB3 ASP A 24 13.533 17.612 3.533 1.00 43.14 H new ATOM 375 N TYR A 25 15.928 15.056 5.409 1.00 30.14 N ATOM 376 CA TYR A 25 16.992 14.639 6.315 1.00 11.01 C ATOM 377 C TYR A 25 18.309 15.321 5.959 1.00 42.04 C ATOM 378 O TYR A 25 18.653 15.457 4.785 1.00 12.02 O ATOM 379 CB TYR A 25 17.163 13.120 6.270 1.00 73.32 C ATOM 380 CG TYR A 25 15.856 12.361 6.336 1.00 44.20 C ATOM 381 CD1 TYR A 25 15.000 12.317 5.243 1.00 33.11 C ATOM 382 CD2 TYR A 25 15.479 11.688 7.492 1.00 64.15 C ATOM 383 CE1 TYR A 25 13.805 11.626 5.300 1.00 70.14 C ATOM 384 CE2 TYR A 25 14.287 10.993 7.557 1.00 61.04 C ATOM 385 CZ TYR A 25 13.453 10.965 6.458 1.00 2.33 C ATOM 386 OH TYR A 25 12.265 10.275 6.518 1.00 34.40 O ATOM 0 H TYR A 25 16.164 14.985 4.419 1.00 30.14 H new ATOM 0 HA TYR A 25 16.711 14.936 7.325 1.00 11.01 H new ATOM 0 HB2 TYR A 25 17.685 12.849 5.352 1.00 73.32 H new ATOM 0 HB3 TYR A 25 17.796 12.809 7.101 1.00 73.32 H new ATOM 0 HD1 TYR A 25 15.273 12.831 4.334 1.00 33.11 H new ATOM 0 HD2 TYR A 25 16.129 11.709 8.354 1.00 64.15 H new ATOM 0 HE1 TYR A 25 13.150 11.604 4.442 1.00 70.14 H new ATOM 0 HE2 TYR A 25 14.009 10.474 8.463 1.00 61.04 H new ATOM 0 HH TYR A 25 11.913 10.151 5.612 1.00 34.40 H new ATOM 396 N ASN A 26 19.043 15.748 6.981 1.00 31.55 N ATOM 397 CA ASN A 26 20.323 16.416 6.778 1.00 62.43 C ATOM 398 C ASN A 26 21.477 15.424 6.884 1.00 65.42 C ATOM 399 O ASN A 26 21.268 14.210 6.905 1.00 73.04 O ATOM 400 CB ASN A 26 20.505 17.538 7.801 1.00 10.14 C ATOM 401 CG ASN A 26 19.204 18.253 8.112 1.00 3.32 C ATOM 402 OD1 ASN A 26 18.414 18.545 7.215 1.00 54.01 O ATOM 403 ND2 ASN A 26 18.977 18.539 9.389 1.00 42.51 N ATOM 0 H ASN A 26 18.773 15.643 7.959 1.00 31.55 H new ATOM 0 HA ASN A 26 20.326 16.844 5.776 1.00 62.43 H new ATOM 0 HB2 ASN A 26 20.918 17.124 8.721 1.00 10.14 H new ATOM 0 HB3 ASN A 26 21.230 18.258 7.422 1.00 10.14 H new ATOM 0 HD21 ASN A 26 18.119 19.020 9.659 1.00 42.51 H new ATOM 0 HD22 ASN A 26 19.661 18.278 10.099 1.00 42.51 H new ATOM 410 N LEU A 27 22.696 15.948 6.951 1.00 22.32 N ATOM 411 CA LEU A 27 23.885 15.109 7.056 1.00 21.21 C ATOM 412 C LEU A 27 23.830 14.240 8.308 1.00 34.33 C ATOM 413 O LEU A 27 24.068 13.034 8.250 1.00 22.50 O ATOM 414 CB LEU A 27 25.145 15.976 7.079 1.00 50.12 C ATOM 415 CG LEU A 27 26.380 15.349 7.727 1.00 70.15 C ATOM 416 CD1 LEU A 27 27.646 15.817 7.026 1.00 40.00 C ATOM 417 CD2 LEU A 27 26.433 15.685 9.210 1.00 43.44 C ATOM 0 H LEU A 27 22.887 16.950 6.934 1.00 22.32 H new ATOM 0 HA LEU A 27 23.916 14.456 6.184 1.00 21.21 H new ATOM 0 HB2 LEU A 27 25.395 16.245 6.053 1.00 50.12 H new ATOM 0 HB3 LEU A 27 24.915 16.903 7.605 1.00 50.12 H new ATOM 0 HG LEU A 27 26.311 14.266 7.623 1.00 70.15 H new ATOM 0 HD11 LEU A 27 28.515 15.361 7.501 1.00 40.00 H new ATOM 0 HD12 LEU A 27 27.610 15.524 5.977 1.00 40.00 H new ATOM 0 HD13 LEU A 27 27.722 16.902 7.098 1.00 40.00 H new ATOM 0 HD21 LEU A 27 27.318 15.231 9.655 1.00 43.44 H new ATOM 0 HD22 LEU A 27 26.478 16.767 9.337 1.00 43.44 H new ATOM 0 HD23 LEU A 27 25.541 15.299 9.703 1.00 43.44 H new ATOM 429 N SER A 28 23.511 14.861 9.440 1.00 60.54 N ATOM 430 CA SER A 28 23.425 14.144 10.707 1.00 44.12 C ATOM 431 C SER A 28 22.246 13.176 10.705 1.00 10.20 C ATOM 432 O SER A 28 22.337 12.068 11.234 1.00 41.42 O ATOM 433 CB SER A 28 23.287 15.132 11.867 1.00 25.30 C ATOM 434 OG SER A 28 24.414 15.071 12.725 1.00 51.42 O ATOM 0 H SER A 28 23.308 15.858 9.505 1.00 60.54 H new ATOM 0 HA SER A 28 24.343 13.570 10.835 1.00 44.12 H new ATOM 0 HB2 SER A 28 23.178 16.144 11.476 1.00 25.30 H new ATOM 0 HB3 SER A 28 22.382 14.909 12.433 1.00 25.30 H new ATOM 0 HG SER A 28 24.303 15.713 13.457 1.00 51.42 H new ATOM 440 N SER A 29 21.139 13.604 10.106 1.00 31.43 N ATOM 441 CA SER A 29 19.939 12.778 10.038 1.00 21.52 C ATOM 442 C SER A 29 20.212 11.486 9.274 1.00 72.51 C ATOM 443 O SER A 29 19.581 10.458 9.524 1.00 72.53 O ATOM 444 CB SER A 29 18.800 13.549 9.368 1.00 5.02 C ATOM 445 OG SER A 29 18.592 14.801 9.999 1.00 30.43 O ATOM 0 H SER A 29 21.048 14.517 9.661 1.00 31.43 H new ATOM 0 HA SER A 29 19.645 12.523 11.056 1.00 21.52 H new ATOM 0 HB2 SER A 29 19.032 13.703 8.314 1.00 5.02 H new ATOM 0 HB3 SER A 29 17.884 12.960 9.410 1.00 5.02 H new ATOM 0 HG SER A 29 17.765 15.204 9.661 1.00 30.43 H new ATOM 451 N LEU A 30 21.156 11.545 8.341 1.00 10.54 N ATOM 452 CA LEU A 30 21.514 10.381 7.539 1.00 31.21 C ATOM 453 C LEU A 30 22.146 9.296 8.405 1.00 10.25 C ATOM 454 O LEU A 30 21.735 8.136 8.362 1.00 4.03 O ATOM 455 CB LEU A 30 22.478 10.783 6.422 1.00 41.41 C ATOM 456 CG LEU A 30 21.860 11.525 5.236 1.00 13.45 C ATOM 457 CD1 LEU A 30 22.944 12.164 4.382 1.00 13.12 C ATOM 458 CD2 LEU A 30 21.008 10.581 4.402 1.00 74.53 C ATOM 0 H LEU A 30 21.687 12.387 8.121 1.00 10.54 H new ATOM 0 HA LEU A 30 20.601 9.982 7.097 1.00 31.21 H new ATOM 0 HB2 LEU A 30 23.258 11.412 6.851 1.00 41.41 H new ATOM 0 HB3 LEU A 30 22.964 9.882 6.048 1.00 41.41 H new ATOM 0 HG LEU A 30 21.218 12.316 5.622 1.00 13.45 H new ATOM 0 HD11 LEU A 30 22.485 12.687 3.543 1.00 13.12 H new ATOM 0 HD12 LEU A 30 23.512 12.873 4.985 1.00 13.12 H new ATOM 0 HD13 LEU A 30 23.613 11.391 4.005 1.00 13.12 H new ATOM 0 HD21 LEU A 30 20.576 11.126 3.563 1.00 74.53 H new ATOM 0 HD22 LEU A 30 21.628 9.767 4.026 1.00 74.53 H new ATOM 0 HD23 LEU A 30 20.208 10.172 5.019 1.00 74.53 H new ATOM 470 N ILE A 31 23.145 9.682 9.192 1.00 33.13 N ATOM 471 CA ILE A 31 23.831 8.743 10.071 1.00 34.12 C ATOM 472 C ILE A 31 22.859 8.102 11.057 1.00 40.24 C ATOM 473 O ILE A 31 23.056 6.966 11.488 1.00 14.33 O ATOM 474 CB ILE A 31 24.962 9.431 10.857 1.00 1.23 C ATOM 475 CG1 ILE A 31 26.028 9.965 9.898 1.00 73.12 C ATOM 476 CG2 ILE A 31 25.578 8.463 11.856 1.00 0.02 C ATOM 477 CD1 ILE A 31 25.993 11.468 9.732 1.00 52.05 C ATOM 0 H ILE A 31 23.497 10.638 9.239 1.00 33.13 H new ATOM 0 HA ILE A 31 24.261 7.970 9.433 1.00 34.12 H new ATOM 0 HB ILE A 31 24.541 10.272 11.408 1.00 1.23 H new ATOM 0 HG12 ILE A 31 27.012 9.671 10.262 1.00 73.12 H new ATOM 0 HG13 ILE A 31 25.895 9.497 8.923 1.00 73.12 H new ATOM 0 HG21 ILE A 31 26.376 8.964 12.404 1.00 0.02 H new ATOM 0 HG22 ILE A 31 24.813 8.127 12.556 1.00 0.02 H new ATOM 0 HG23 ILE A 31 25.987 7.603 11.325 1.00 0.02 H new ATOM 0 HD11 ILE A 31 26.776 11.776 9.039 1.00 52.05 H new ATOM 0 HD12 ILE A 31 25.022 11.768 9.339 1.00 52.05 H new ATOM 0 HD13 ILE A 31 26.156 11.945 10.699 1.00 52.05 H new ATOM 489 N SER A 32 21.809 8.838 11.407 1.00 30.00 N ATOM 490 CA SER A 32 20.807 8.343 12.343 1.00 33.43 C ATOM 491 C SER A 32 20.193 7.039 11.843 1.00 63.53 C ATOM 492 O SER A 32 19.679 6.241 12.627 1.00 62.54 O ATOM 493 CB SER A 32 19.710 9.389 12.550 1.00 10.00 C ATOM 494 OG SER A 32 20.217 10.701 12.374 1.00 31.44 O ATOM 0 H SER A 32 21.630 9.779 11.056 1.00 30.00 H new ATOM 0 HA SER A 32 21.300 8.151 13.296 1.00 33.43 H new ATOM 0 HB2 SER A 32 18.897 9.212 11.846 1.00 10.00 H new ATOM 0 HB3 SER A 32 19.292 9.289 13.551 1.00 10.00 H new ATOM 0 HG SER A 32 19.712 11.325 12.936 1.00 31.44 H new ATOM 500 N ARG A 33 20.252 6.830 10.531 1.00 35.45 N ATOM 501 CA ARG A 33 19.701 5.624 9.925 1.00 60.42 C ATOM 502 C ARG A 33 20.803 4.609 9.635 1.00 43.13 C ATOM 503 O ARG A 33 20.539 3.418 9.478 1.00 22.25 O ATOM 504 CB ARG A 33 18.959 5.970 8.633 1.00 41.14 C ATOM 505 CG ARG A 33 17.524 5.471 8.602 1.00 71.33 C ATOM 506 CD ARG A 33 16.605 6.364 9.420 1.00 4.15 C ATOM 507 NE ARG A 33 15.605 5.594 10.155 1.00 41.21 N ATOM 508 CZ ARG A 33 14.771 6.128 11.040 1.00 52.41 C ATOM 509 NH1 ARG A 33 14.816 7.428 11.299 1.00 65.14 N ATOM 510 NH2 ARG A 33 13.888 5.362 11.668 1.00 40.11 N ATOM 0 H ARG A 33 20.675 7.480 9.869 1.00 35.45 H new ATOM 0 HA ARG A 33 18.999 5.181 10.631 1.00 60.42 H new ATOM 0 HB2 ARG A 33 18.961 7.052 8.501 1.00 41.14 H new ATOM 0 HB3 ARG A 33 19.501 5.545 7.788 1.00 41.14 H new ATOM 0 HG2 ARG A 33 17.173 5.434 7.571 1.00 71.33 H new ATOM 0 HG3 ARG A 33 17.483 4.453 8.990 1.00 71.33 H new ATOM 0 HD2 ARG A 33 17.199 6.950 10.122 1.00 4.15 H new ATOM 0 HD3 ARG A 33 16.104 7.071 8.759 1.00 4.15 H new ATOM 0 HE ARG A 33 15.544 4.591 9.979 1.00 41.21 H new ATOM 0 HH11 ARG A 33 15.492 8.021 10.818 1.00 65.14 H new ATOM 0 HH12 ARG A 33 14.174 7.835 11.979 1.00 65.14 H new ATOM 0 HH21 ARG A 33 13.849 4.362 11.471 1.00 40.11 H new ATOM 0 HH22 ARG A 33 13.248 5.773 12.347 1.00 40.11 H new ATOM 524 N GLY A 34 22.041 5.091 9.563 1.00 14.15 N ATOM 525 CA GLY A 34 23.164 4.214 9.292 1.00 60.44 C ATOM 526 C GLY A 34 23.849 4.538 7.979 1.00 52.21 C ATOM 527 O GLY A 34 24.269 3.639 7.251 1.00 2.14 O ATOM 0 H GLY A 34 22.285 6.073 9.688 1.00 14.15 H new ATOM 0 HA2 GLY A 34 23.887 4.292 10.104 1.00 60.44 H new ATOM 0 HA3 GLY A 34 22.818 3.181 9.272 1.00 60.44 H new ATOM 531 N ALA A 35 23.960 5.827 7.674 1.00 11.01 N ATOM 532 CA ALA A 35 24.599 6.268 6.440 1.00 34.12 C ATOM 533 C ALA A 35 25.176 7.671 6.592 1.00 41.10 C ATOM 534 O ALA A 35 24.508 8.578 7.091 1.00 24.34 O ATOM 535 CB ALA A 35 23.606 6.225 5.288 1.00 41.32 C ATOM 0 H ALA A 35 23.616 6.584 8.265 1.00 11.01 H new ATOM 0 HA ALA A 35 25.422 5.587 6.222 1.00 34.12 H new ATOM 0 HB1 ALA A 35 24.096 6.557 4.373 1.00 41.32 H new ATOM 0 HB2 ALA A 35 23.245 5.205 5.157 1.00 41.32 H new ATOM 0 HB3 ALA A 35 22.765 6.882 5.508 1.00 41.32 H new ATOM 541 N LEU A 36 26.420 7.844 6.159 1.00 21.32 N ATOM 542 CA LEU A 36 27.088 9.137 6.248 1.00 43.45 C ATOM 543 C LEU A 36 26.815 9.977 5.004 1.00 1.50 C ATOM 544 O LEU A 36 26.391 9.458 3.973 1.00 70.31 O ATOM 545 CB LEU A 36 28.595 8.944 6.425 1.00 3.14 C ATOM 546 CG LEU A 36 29.300 8.127 5.342 1.00 73.03 C ATOM 547 CD1 LEU A 36 30.239 9.009 4.534 1.00 54.13 C ATOM 548 CD2 LEU A 36 30.059 6.963 5.961 1.00 63.22 C ATOM 0 H LEU A 36 26.986 7.105 5.743 1.00 21.32 H new ATOM 0 HA LEU A 36 26.691 9.664 7.115 1.00 43.45 H new ATOM 0 HB2 LEU A 36 29.064 9.927 6.473 1.00 3.14 H new ATOM 0 HB3 LEU A 36 28.768 8.461 7.387 1.00 3.14 H new ATOM 0 HG LEU A 36 28.544 7.724 4.668 1.00 73.03 H new ATOM 0 HD11 LEU A 36 30.732 8.410 3.768 1.00 54.13 H new ATOM 0 HD12 LEU A 36 29.669 9.808 4.059 1.00 54.13 H new ATOM 0 HD13 LEU A 36 30.990 9.442 5.195 1.00 54.13 H new ATOM 0 HD21 LEU A 36 30.554 6.393 5.175 1.00 63.22 H new ATOM 0 HD22 LEU A 36 30.805 7.345 6.658 1.00 63.22 H new ATOM 0 HD23 LEU A 36 29.362 6.316 6.494 1.00 63.22 H new ATOM 560 N ASN A 37 27.063 11.279 5.109 1.00 24.11 N ATOM 561 CA ASN A 37 26.846 12.191 3.992 1.00 13.23 C ATOM 562 C ASN A 37 27.525 11.675 2.728 1.00 64.23 C ATOM 563 O ASN A 37 28.686 11.266 2.757 1.00 3.13 O ATOM 564 CB ASN A 37 27.374 13.586 4.335 1.00 34.33 C ATOM 565 CG ASN A 37 28.830 13.565 4.759 1.00 74.33 C ATOM 566 OD1 ASN A 37 29.728 13.773 3.943 1.00 71.41 O ATOM 567 ND2 ASN A 37 29.069 13.312 6.040 1.00 4.43 N ATOM 0 H ASN A 37 27.414 11.726 5.956 1.00 24.11 H new ATOM 0 HA ASN A 37 25.773 12.251 3.808 1.00 13.23 H new ATOM 0 HB2 ASN A 37 27.260 14.238 3.469 1.00 34.33 H new ATOM 0 HB3 ASN A 37 26.771 14.013 5.137 1.00 34.33 H new ATOM 0 HD21 ASN A 37 30.029 13.284 6.384 1.00 4.43 H new ATOM 0 HD22 ASN A 37 28.293 13.146 6.680 1.00 4.43 H new ATOM 574 N ASP A 38 26.794 11.697 1.619 1.00 44.13 N ATOM 575 CA ASP A 38 27.327 11.233 0.343 1.00 55.12 C ATOM 576 C ASP A 38 28.157 9.967 0.529 1.00 43.24 C ATOM 577 O ASP A 38 29.374 10.032 0.705 1.00 60.41 O ATOM 578 CB ASP A 38 28.177 12.326 -0.307 1.00 22.50 C ATOM 579 CG ASP A 38 29.260 12.844 0.619 1.00 15.23 C ATOM 580 OD1 ASP A 38 28.952 13.708 1.467 1.00 54.40 O ATOM 581 OD2 ASP A 38 30.414 12.385 0.497 1.00 3.33 O ATOM 0 H ASP A 38 25.831 12.031 1.578 1.00 44.13 H new ATOM 0 HA ASP A 38 26.487 11.001 -0.311 1.00 55.12 H new ATOM 0 HB2 ASP A 38 28.636 11.934 -1.215 1.00 22.50 H new ATOM 0 HB3 ASP A 38 27.533 13.153 -0.607 1.00 22.50 H new ATOM 586 N ASP A 39 27.492 8.818 0.489 1.00 50.11 N ATOM 587 CA ASP A 39 28.169 7.537 0.653 1.00 73.31 C ATOM 588 C ASP A 39 27.445 6.437 -0.118 1.00 15.22 C ATOM 589 O ASP A 39 28.075 5.544 -0.685 1.00 74.40 O ATOM 590 CB ASP A 39 28.254 7.167 2.134 1.00 21.25 C ATOM 591 CG ASP A 39 28.528 5.691 2.348 1.00 52.11 C ATOM 592 OD1 ASP A 39 29.708 5.289 2.270 1.00 73.34 O ATOM 593 OD2 ASP A 39 27.562 4.939 2.594 1.00 24.42 O ATOM 0 H ASP A 39 26.485 8.747 0.344 1.00 50.11 H new ATOM 0 HA ASP A 39 29.178 7.633 0.252 1.00 73.31 H new ATOM 0 HB2 ASP A 39 29.043 7.752 2.607 1.00 21.25 H new ATOM 0 HB3 ASP A 39 27.319 7.435 2.627 1.00 21.25 H new ATOM 598 N LEU A 40 26.118 6.508 -0.133 1.00 41.13 N ATOM 599 CA LEU A 40 25.307 5.518 -0.833 1.00 42.05 C ATOM 600 C LEU A 40 25.779 5.348 -2.274 1.00 23.31 C ATOM 601 O LEU A 40 26.643 6.087 -2.746 1.00 61.30 O ATOM 602 CB LEU A 40 23.834 5.930 -0.813 1.00 21.31 C ATOM 603 CG LEU A 40 23.040 5.522 0.429 1.00 64.12 C ATOM 604 CD1 LEU A 40 22.875 4.011 0.484 1.00 12.10 C ATOM 605 CD2 LEU A 40 23.723 6.032 1.689 1.00 23.25 C ATOM 0 H LEU A 40 25.581 7.241 0.331 1.00 41.13 H new ATOM 0 HA LEU A 40 25.418 4.564 -0.318 1.00 42.05 H new ATOM 0 HB2 LEU A 40 23.779 7.014 -0.915 1.00 21.31 H new ATOM 0 HB3 LEU A 40 23.346 5.502 -1.689 1.00 21.31 H new ATOM 0 HG LEU A 40 22.050 5.973 0.369 1.00 64.12 H new ATOM 0 HD11 LEU A 40 22.308 3.739 1.374 1.00 12.10 H new ATOM 0 HD12 LEU A 40 22.342 3.671 -0.404 1.00 12.10 H new ATOM 0 HD13 LEU A 40 23.857 3.539 0.521 1.00 12.10 H new ATOM 0 HD21 LEU A 40 23.145 5.733 2.563 1.00 23.25 H new ATOM 0 HD22 LEU A 40 24.726 5.610 1.756 1.00 23.25 H new ATOM 0 HD23 LEU A 40 23.789 7.119 1.652 1.00 23.25 H new ATOM 617 N SER A 41 25.205 4.370 -2.968 1.00 1.13 N ATOM 618 CA SER A 41 25.568 4.102 -4.354 1.00 62.42 C ATOM 619 C SER A 41 24.341 4.159 -5.258 1.00 55.02 C ATOM 620 O SER A 41 24.422 4.594 -6.407 1.00 34.20 O ATOM 621 CB SER A 41 26.238 2.731 -4.472 1.00 5.42 C ATOM 622 OG SER A 41 27.572 2.773 -3.994 1.00 41.45 O ATOM 0 H SER A 41 24.487 3.750 -2.593 1.00 1.13 H new ATOM 0 HA SER A 41 26.270 4.871 -4.675 1.00 62.42 H new ATOM 0 HB2 SER A 41 25.668 1.994 -3.906 1.00 5.42 H new ATOM 0 HB3 SER A 41 26.231 2.408 -5.513 1.00 5.42 H new ATOM 0 HG SER A 41 27.597 2.457 -3.067 1.00 41.45 H new ATOM 628 N SER A 42 23.204 3.717 -4.730 1.00 74.24 N ATOM 629 CA SER A 42 21.959 3.714 -5.490 1.00 34.33 C ATOM 630 C SER A 42 20.773 4.050 -4.590 1.00 40.34 C ATOM 631 O SER A 42 20.914 4.158 -3.373 1.00 24.53 O ATOM 632 CB SER A 42 21.742 2.350 -6.149 1.00 42.31 C ATOM 633 OG SER A 42 21.257 1.403 -5.214 1.00 31.31 O ATOM 0 H SER A 42 23.119 3.357 -3.780 1.00 74.24 H new ATOM 0 HA SER A 42 22.033 4.477 -6.265 1.00 34.33 H new ATOM 0 HB2 SER A 42 21.034 2.449 -6.972 1.00 42.31 H new ATOM 0 HB3 SER A 42 22.680 1.996 -6.577 1.00 42.31 H new ATOM 0 HG SER A 42 21.990 0.817 -4.932 1.00 31.31 H new ATOM 639 N ALA A 43 19.604 4.216 -5.200 1.00 70.35 N ATOM 640 CA ALA A 43 18.393 4.538 -4.456 1.00 52.03 C ATOM 641 C ALA A 43 17.171 3.876 -5.083 1.00 73.41 C ATOM 642 O ALA A 43 16.961 3.957 -6.294 1.00 24.34 O ATOM 643 CB ALA A 43 18.201 6.046 -4.388 1.00 22.14 C ATOM 0 H ALA A 43 19.470 4.133 -6.208 1.00 70.35 H new ATOM 0 HA ALA A 43 18.505 4.150 -3.443 1.00 52.03 H new ATOM 0 HB1 ALA A 43 17.293 6.272 -3.829 1.00 22.14 H new ATOM 0 HB2 ALA A 43 19.057 6.500 -3.888 1.00 22.14 H new ATOM 0 HB3 ALA A 43 18.116 6.448 -5.398 1.00 22.14 H new ATOM 649 N ARG A 44 16.367 3.220 -4.252 1.00 22.01 N ATOM 650 CA ARG A 44 15.167 2.542 -4.726 1.00 33.23 C ATOM 651 C ARG A 44 13.942 3.440 -4.580 1.00 34.43 C ATOM 652 O ARG A 44 13.397 3.591 -3.486 1.00 51.51 O ATOM 653 CB ARG A 44 14.953 1.239 -3.953 1.00 34.00 C ATOM 654 CG ARG A 44 14.822 0.016 -4.846 1.00 22.33 C ATOM 655 CD ARG A 44 14.427 -1.217 -4.048 1.00 15.34 C ATOM 656 NE ARG A 44 13.793 -2.231 -4.886 1.00 30.35 N ATOM 657 CZ ARG A 44 13.576 -3.481 -4.490 1.00 2.32 C ATOM 658 NH1 ARG A 44 13.940 -3.867 -3.275 1.00 32.22 N ATOM 659 NH2 ARG A 44 12.994 -4.346 -5.310 1.00 21.20 N ATOM 0 H ARG A 44 16.525 3.144 -3.247 1.00 22.01 H new ATOM 0 HA ARG A 44 15.303 2.311 -5.783 1.00 33.23 H new ATOM 0 HB2 ARG A 44 15.788 1.091 -3.269 1.00 34.00 H new ATOM 0 HB3 ARG A 44 14.054 1.331 -3.343 1.00 34.00 H new ATOM 0 HG2 ARG A 44 14.076 0.206 -5.618 1.00 22.33 H new ATOM 0 HG3 ARG A 44 15.768 -0.167 -5.356 1.00 22.33 H new ATOM 0 HD2 ARG A 44 15.312 -1.641 -3.573 1.00 15.34 H new ATOM 0 HD3 ARG A 44 13.744 -0.928 -3.249 1.00 15.34 H new ATOM 0 HE ARG A 44 13.501 -1.965 -5.826 1.00 30.35 H new ATOM 0 HH11 ARG A 44 14.388 -3.204 -2.642 1.00 32.22 H new ATOM 0 HH12 ARG A 44 13.772 -4.827 -2.973 1.00 32.22 H new ATOM 0 HH21 ARG A 44 12.713 -4.052 -6.245 1.00 21.20 H new ATOM 0 HH22 ARG A 44 12.828 -5.305 -5.005 1.00 21.20 H new ATOM 673 N VAL A 45 13.513 4.033 -5.689 1.00 45.04 N ATOM 674 CA VAL A 45 12.353 4.915 -5.686 1.00 13.34 C ATOM 675 C VAL A 45 11.405 4.582 -6.832 1.00 70.41 C ATOM 676 O VAL A 45 11.459 5.177 -7.908 1.00 54.32 O ATOM 677 CB VAL A 45 12.771 6.394 -5.794 1.00 21.33 C ATOM 678 CG1 VAL A 45 13.749 6.590 -6.942 1.00 73.55 C ATOM 679 CG2 VAL A 45 11.548 7.282 -5.966 1.00 62.22 C ATOM 0 H VAL A 45 13.952 3.918 -6.602 1.00 45.04 H new ATOM 0 HA VAL A 45 11.840 4.758 -4.737 1.00 13.34 H new ATOM 0 HB VAL A 45 13.272 6.681 -4.869 1.00 21.33 H new ATOM 0 HG11 VAL A 45 14.033 7.641 -7.003 1.00 73.55 H new ATOM 0 HG12 VAL A 45 14.638 5.983 -6.770 1.00 73.55 H new ATOM 0 HG13 VAL A 45 13.278 6.287 -7.877 1.00 73.55 H new ATOM 0 HG21 VAL A 45 11.862 8.323 -6.041 1.00 62.22 H new ATOM 0 HG22 VAL A 45 11.016 6.997 -6.874 1.00 62.22 H new ATOM 0 HG23 VAL A 45 10.888 7.163 -5.107 1.00 62.22 H new ATOM 689 N PRO A 46 10.514 3.606 -6.599 1.00 4.23 N ATOM 690 CA PRO A 46 9.536 3.171 -7.600 1.00 0.30 C ATOM 691 C PRO A 46 8.463 4.224 -7.857 1.00 71.32 C ATOM 692 O PRO A 46 8.390 5.233 -7.157 1.00 14.22 O ATOM 693 CB PRO A 46 8.918 1.920 -6.972 1.00 31.23 C ATOM 694 CG PRO A 46 9.101 2.102 -5.505 1.00 2.34 C ATOM 695 CD PRO A 46 10.394 2.853 -5.339 1.00 54.11 C ATOM 0 HA PRO A 46 9.998 2.993 -8.571 1.00 0.30 H new ATOM 0 HB2 PRO A 46 7.863 1.827 -7.231 1.00 31.23 H new ATOM 0 HB3 PRO A 46 9.413 1.015 -7.323 1.00 31.23 H new ATOM 0 HG2 PRO A 46 8.269 2.658 -5.074 1.00 2.34 H new ATOM 0 HG3 PRO A 46 9.140 1.140 -4.994 1.00 2.34 H new ATOM 0 HD2 PRO A 46 10.365 3.517 -4.475 1.00 54.11 H new ATOM 0 HD3 PRO A 46 11.236 2.176 -5.193 1.00 54.11 H new ATOM 703 N SER A 47 7.632 3.981 -8.866 1.00 31.33 N ATOM 704 CA SER A 47 6.564 4.910 -9.217 1.00 63.43 C ATOM 705 C SER A 47 5.733 5.271 -7.990 1.00 50.33 C ATOM 706 O SER A 47 5.571 4.464 -7.076 1.00 71.03 O ATOM 707 CB SER A 47 5.665 4.302 -10.296 1.00 21.24 C ATOM 708 OG SER A 47 5.790 5.004 -11.520 1.00 5.42 O ATOM 0 H SER A 47 7.678 3.149 -9.454 1.00 31.33 H new ATOM 0 HA SER A 47 7.021 5.820 -9.605 1.00 63.43 H new ATOM 0 HB2 SER A 47 5.928 3.255 -10.445 1.00 21.24 H new ATOM 0 HB3 SER A 47 4.627 4.325 -9.964 1.00 21.24 H new ATOM 0 HG SER A 47 5.207 4.595 -12.193 1.00 5.42 H new ATOM 714 N GLY A 48 5.208 6.493 -7.978 1.00 74.20 N ATOM 715 CA GLY A 48 4.399 6.942 -6.859 1.00 64.53 C ATOM 716 C GLY A 48 5.240 7.430 -5.696 1.00 73.01 C ATOM 717 O GLY A 48 4.897 7.204 -4.535 1.00 22.42 O ATOM 0 H GLY A 48 5.328 7.180 -8.723 1.00 74.20 H new ATOM 0 HA2 GLY A 48 3.740 7.745 -7.190 1.00 64.53 H new ATOM 0 HA3 GLY A 48 3.761 6.124 -6.524 1.00 64.53 H new ATOM 721 N LEU A 49 6.344 8.101 -6.006 1.00 73.54 N ATOM 722 CA LEU A 49 7.237 8.621 -4.978 1.00 2.34 C ATOM 723 C LEU A 49 8.180 9.671 -5.556 1.00 2.50 C ATOM 724 O LEU A 49 8.712 9.505 -6.654 1.00 0.12 O ATOM 725 CB LEU A 49 8.045 7.483 -4.352 1.00 62.02 C ATOM 726 CG LEU A 49 8.705 7.788 -3.007 1.00 13.22 C ATOM 727 CD1 LEU A 49 9.088 6.500 -2.295 1.00 74.24 C ATOM 728 CD2 LEU A 49 9.925 8.676 -3.200 1.00 65.24 C ATOM 0 H LEU A 49 6.642 8.297 -6.962 1.00 73.54 H new ATOM 0 HA LEU A 49 6.627 9.092 -4.207 1.00 2.34 H new ATOM 0 HB2 LEU A 49 7.386 6.624 -4.224 1.00 62.02 H new ATOM 0 HB3 LEU A 49 8.822 7.186 -5.056 1.00 62.02 H new ATOM 0 HG LEU A 49 7.987 8.322 -2.385 1.00 13.22 H new ATOM 0 HD11 LEU A 49 9.556 6.738 -1.340 1.00 74.24 H new ATOM 0 HD12 LEU A 49 8.194 5.900 -2.122 1.00 74.24 H new ATOM 0 HD13 LEU A 49 9.788 5.937 -2.912 1.00 74.24 H new ATOM 0 HD21 LEU A 49 10.382 8.882 -2.232 1.00 65.24 H new ATOM 0 HD22 LEU A 49 10.646 8.169 -3.841 1.00 65.24 H new ATOM 0 HD23 LEU A 49 9.622 9.614 -3.666 1.00 65.24 H new ATOM 740 N ARG A 50 8.384 10.752 -4.809 1.00 62.41 N ATOM 741 CA ARG A 50 9.264 11.828 -5.247 1.00 40.42 C ATOM 742 C ARG A 50 10.350 12.100 -4.210 1.00 32.51 C ATOM 743 O ARG A 50 10.059 12.305 -3.031 1.00 4.04 O ATOM 744 CB ARG A 50 8.457 13.103 -5.502 1.00 4.11 C ATOM 745 CG ARG A 50 9.241 14.185 -6.226 1.00 42.33 C ATOM 746 CD ARG A 50 8.329 15.295 -6.724 1.00 53.13 C ATOM 747 NE ARG A 50 9.077 16.369 -7.373 1.00 35.11 N ATOM 748 CZ ARG A 50 9.662 16.245 -8.559 1.00 75.40 C ATOM 749 NH1 ARG A 50 9.585 15.099 -9.223 1.00 1.42 N ATOM 750 NH2 ARG A 50 10.324 17.267 -9.084 1.00 2.42 N ATOM 0 H ARG A 50 7.952 10.905 -3.898 1.00 62.41 H new ATOM 0 HA ARG A 50 9.743 11.516 -6.175 1.00 40.42 H new ATOM 0 HB2 ARG A 50 7.573 12.852 -6.089 1.00 4.11 H new ATOM 0 HB3 ARG A 50 8.105 13.497 -4.549 1.00 4.11 H new ATOM 0 HG2 ARG A 50 9.991 14.603 -5.555 1.00 42.33 H new ATOM 0 HG3 ARG A 50 9.776 13.746 -7.069 1.00 42.33 H new ATOM 0 HD2 ARG A 50 7.605 14.882 -7.426 1.00 53.13 H new ATOM 0 HD3 ARG A 50 7.763 15.702 -5.886 1.00 53.13 H new ATOM 0 HE ARG A 50 9.154 17.263 -6.889 1.00 35.11 H new ATOM 0 HH11 ARG A 50 9.076 14.311 -8.823 1.00 1.42 H new ATOM 0 HH12 ARG A 50 10.035 15.006 -10.134 1.00 1.42 H new ATOM 0 HH21 ARG A 50 10.385 18.150 -8.577 1.00 2.42 H new ATOM 0 HH22 ARG A 50 10.773 17.170 -9.995 1.00 2.42 H new ATOM 764 N LEU A 51 11.601 12.098 -4.656 1.00 72.15 N ATOM 765 CA LEU A 51 12.731 12.343 -3.767 1.00 50.22 C ATOM 766 C LEU A 51 13.654 13.412 -4.342 1.00 44.44 C ATOM 767 O LEU A 51 13.799 13.532 -5.558 1.00 72.25 O ATOM 768 CB LEU A 51 13.513 11.049 -3.535 1.00 52.10 C ATOM 769 CG LEU A 51 14.390 10.577 -4.695 1.00 50.53 C ATOM 770 CD1 LEU A 51 15.841 10.968 -4.461 1.00 12.51 C ATOM 771 CD2 LEU A 51 14.265 9.072 -4.881 1.00 53.31 C ATOM 0 H LEU A 51 11.859 11.929 -5.628 1.00 72.15 H new ATOM 0 HA LEU A 51 12.341 12.700 -2.814 1.00 50.22 H new ATOM 0 HB2 LEU A 51 14.147 11.183 -2.658 1.00 52.10 H new ATOM 0 HB3 LEU A 51 12.803 10.257 -3.297 1.00 52.10 H new ATOM 0 HG LEU A 51 14.046 11.065 -5.607 1.00 50.53 H new ATOM 0 HD11 LEU A 51 16.450 10.624 -5.297 1.00 12.51 H new ATOM 0 HD12 LEU A 51 15.917 12.052 -4.379 1.00 12.51 H new ATOM 0 HD13 LEU A 51 16.197 10.509 -3.539 1.00 12.51 H new ATOM 0 HD21 LEU A 51 14.896 8.754 -5.711 1.00 53.31 H new ATOM 0 HD22 LEU A 51 14.582 8.565 -3.969 1.00 53.31 H new ATOM 0 HD23 LEU A 51 13.227 8.817 -5.096 1.00 53.31 H new ATOM 783 N GLU A 52 14.278 14.186 -3.459 1.00 63.32 N ATOM 784 CA GLU A 52 15.189 15.244 -3.880 1.00 60.22 C ATOM 785 C GLU A 52 16.567 15.057 -3.252 1.00 43.23 C ATOM 786 O GLU A 52 16.699 14.461 -2.184 1.00 24.34 O ATOM 787 CB GLU A 52 14.625 16.614 -3.500 1.00 54.21 C ATOM 788 CG GLU A 52 13.452 17.050 -4.363 1.00 4.41 C ATOM 789 CD GLU A 52 12.726 18.254 -3.795 1.00 43.52 C ATOM 790 OE1 GLU A 52 13.402 19.148 -3.244 1.00 2.42 O ATOM 791 OE2 GLU A 52 11.483 18.303 -3.902 1.00 2.01 O ATOM 0 H GLU A 52 14.169 14.100 -2.448 1.00 63.32 H new ATOM 0 HA GLU A 52 15.292 15.190 -4.964 1.00 60.22 H new ATOM 0 HB2 GLU A 52 14.309 16.591 -2.457 1.00 54.21 H new ATOM 0 HB3 GLU A 52 15.418 17.358 -3.577 1.00 54.21 H new ATOM 0 HG2 GLU A 52 13.811 17.286 -5.365 1.00 4.41 H new ATOM 0 HG3 GLU A 52 12.751 16.221 -4.462 1.00 4.41 H new ATOM 798 N VAL A 53 17.592 15.572 -3.925 1.00 21.42 N ATOM 799 CA VAL A 53 18.961 15.463 -3.434 1.00 34.12 C ATOM 800 C VAL A 53 19.573 16.840 -3.205 1.00 64.11 C ATOM 801 O VAL A 53 19.348 17.768 -3.982 1.00 11.45 O ATOM 802 CB VAL A 53 19.848 14.675 -4.415 1.00 61.43 C ATOM 803 CG1 VAL A 53 21.214 14.405 -3.802 1.00 34.41 C ATOM 804 CG2 VAL A 53 19.170 13.375 -4.820 1.00 72.40 C ATOM 0 H VAL A 53 17.500 16.069 -4.811 1.00 21.42 H new ATOM 0 HA VAL A 53 18.916 14.926 -2.486 1.00 34.12 H new ATOM 0 HB VAL A 53 19.992 15.278 -5.312 1.00 61.43 H new ATOM 0 HG11 VAL A 53 21.827 13.847 -4.510 1.00 34.41 H new ATOM 0 HG12 VAL A 53 21.701 15.352 -3.568 1.00 34.41 H new ATOM 0 HG13 VAL A 53 21.094 13.823 -2.888 1.00 34.41 H new ATOM 0 HG21 VAL A 53 19.811 12.831 -5.514 1.00 72.40 H new ATOM 0 HG22 VAL A 53 18.994 12.765 -3.934 1.00 72.40 H new ATOM 0 HG23 VAL A 53 18.218 13.596 -5.303 1.00 72.40 H new ATOM 814 N PHE A 54 20.350 16.965 -2.134 1.00 45.24 N ATOM 815 CA PHE A 54 20.997 18.230 -1.802 1.00 75.34 C ATOM 816 C PHE A 54 22.453 18.009 -1.406 1.00 22.55 C ATOM 817 O PHE A 54 22.749 17.657 -0.264 1.00 0.01 O ATOM 818 CB PHE A 54 20.247 18.927 -0.665 1.00 74.23 C ATOM 819 CG PHE A 54 18.753 18.874 -0.812 1.00 13.33 C ATOM 820 CD1 PHE A 54 18.133 19.413 -1.928 1.00 2.54 C ATOM 821 CD2 PHE A 54 17.968 18.286 0.167 1.00 52.01 C ATOM 822 CE1 PHE A 54 16.759 19.366 -2.066 1.00 13.54 C ATOM 823 CE2 PHE A 54 16.593 18.236 0.034 1.00 20.32 C ATOM 824 CZ PHE A 54 15.988 18.778 -1.083 1.00 34.42 C ATOM 0 H PHE A 54 20.547 16.206 -1.481 1.00 45.24 H new ATOM 0 HA PHE A 54 20.973 18.865 -2.687 1.00 75.34 H new ATOM 0 HB2 PHE A 54 20.528 18.465 0.282 1.00 74.23 H new ATOM 0 HB3 PHE A 54 20.563 19.969 -0.617 1.00 74.23 H new ATOM 0 HD1 PHE A 54 18.731 19.875 -2.699 1.00 2.54 H new ATOM 0 HD2 PHE A 54 18.436 17.862 1.043 1.00 52.01 H new ATOM 0 HE1 PHE A 54 16.289 19.789 -2.942 1.00 13.54 H new ATOM 0 HE2 PHE A 54 15.992 17.773 0.803 1.00 20.32 H new ATOM 0 HZ PHE A 54 14.914 18.742 -1.187 1.00 34.42 H new ATOM 834 N GLN A 55 23.358 18.217 -2.357 1.00 34.30 N ATOM 835 CA GLN A 55 24.783 18.039 -2.107 1.00 61.23 C ATOM 836 C GLN A 55 25.206 18.759 -0.831 1.00 43.03 C ATOM 837 O GLN A 55 25.675 18.134 0.120 1.00 23.14 O ATOM 838 CB GLN A 55 25.599 18.556 -3.294 1.00 14.25 C ATOM 839 CG GLN A 55 26.994 17.959 -3.379 1.00 72.24 C ATOM 840 CD GLN A 55 27.783 18.486 -4.562 1.00 12.45 C ATOM 841 OE1 GLN A 55 27.217 19.050 -5.499 1.00 33.32 O ATOM 842 NE2 GLN A 55 29.098 18.307 -4.524 1.00 31.44 N ATOM 0 H GLN A 55 23.130 18.509 -3.307 1.00 34.30 H new ATOM 0 HA GLN A 55 24.974 16.973 -1.981 1.00 61.23 H new ATOM 0 HB2 GLN A 55 25.062 18.336 -4.217 1.00 14.25 H new ATOM 0 HB3 GLN A 55 25.681 19.641 -3.223 1.00 14.25 H new ATOM 0 HG2 GLN A 55 27.536 18.178 -2.459 1.00 72.24 H new ATOM 0 HG3 GLN A 55 26.917 16.874 -3.453 1.00 72.24 H new ATOM 0 HE21 GLN A 55 29.526 17.834 -3.728 1.00 31.44 H new ATOM 0 HE22 GLN A 55 29.681 18.642 -5.291 1.00 31.44 H new ATOM 851 N HIS A 56 25.038 20.078 -0.818 1.00 60.42 N ATOM 852 CA HIS A 56 25.403 20.883 0.342 1.00 54.33 C ATOM 853 C HIS A 56 24.186 21.147 1.224 1.00 41.32 C ATOM 854 O HIS A 56 23.086 21.385 0.726 1.00 25.11 O ATOM 855 CB HIS A 56 26.020 22.209 -0.105 1.00 62.43 C ATOM 856 CG HIS A 56 27.518 22.205 -0.094 1.00 51.35 C ATOM 857 ND1 HIS A 56 28.271 23.337 0.136 1.00 63.01 N ATOM 858 CD2 HIS A 56 28.402 21.199 -0.286 1.00 24.33 C ATOM 859 CE1 HIS A 56 29.554 23.027 0.084 1.00 5.03 C ATOM 860 NE2 HIS A 56 29.661 21.735 -0.170 1.00 1.23 N ATOM 0 H HIS A 56 24.652 20.611 -1.597 1.00 60.42 H new ATOM 0 HA HIS A 56 26.138 20.326 0.923 1.00 54.33 H new ATOM 0 HB2 HIS A 56 25.673 22.441 -1.112 1.00 62.43 H new ATOM 0 HB3 HIS A 56 25.662 23.005 0.547 1.00 62.43 H new ATOM 0 HD2 HIS A 56 28.162 20.166 -0.492 1.00 24.33 H new ATOM 0 HE1 HIS A 56 30.376 23.713 0.225 1.00 5.03 H new ATOM 0 HE2 HIS A 56 30.536 21.220 -0.265 1.00 1.23 H new ATOM 868 N ASN A 57 24.392 21.103 2.536 1.00 31.12 N ATOM 869 CA ASN A 57 23.311 21.336 3.488 1.00 44.04 C ATOM 870 C ASN A 57 22.840 22.786 3.431 1.00 73.24 C ATOM 871 O ASN A 57 23.467 23.628 2.791 1.00 43.52 O ATOM 872 CB ASN A 57 23.770 20.993 4.906 1.00 22.42 C ATOM 873 CG ASN A 57 25.106 21.624 5.251 1.00 75.43 C ATOM 874 OD1 ASN A 57 25.424 22.719 4.789 1.00 3.41 O ATOM 875 ND2 ASN A 57 25.894 20.932 6.066 1.00 53.23 N ATOM 0 H ASN A 57 25.297 20.908 2.965 1.00 31.12 H new ATOM 0 HA ASN A 57 22.476 20.690 3.217 1.00 44.04 H new ATOM 0 HB2 ASN A 57 23.018 21.329 5.620 1.00 22.42 H new ATOM 0 HB3 ASN A 57 23.845 19.910 5.008 1.00 22.42 H new ATOM 0 HD21 ASN A 57 26.805 21.305 6.333 1.00 53.23 H new ATOM 0 HD22 ASN A 57 25.588 20.028 6.425 1.00 53.23 H new ATOM 882 N ASN A 58 21.730 23.068 4.105 1.00 12.21 N ATOM 883 CA ASN A 58 21.174 24.416 4.132 1.00 54.15 C ATOM 884 C ASN A 58 20.740 24.853 2.736 1.00 50.04 C ATOM 885 O ASN A 58 20.615 26.046 2.458 1.00 73.14 O ATOM 886 CB ASN A 58 22.200 25.403 4.691 1.00 1.02 C ATOM 887 CG ASN A 58 21.636 26.246 5.819 1.00 45.02 C ATOM 888 OD1 ASN A 58 21.303 27.416 5.628 1.00 65.34 O ATOM 889 ND2 ASN A 58 21.527 25.654 7.002 1.00 24.14 N ATOM 0 H ASN A 58 21.198 22.381 4.640 1.00 12.21 H new ATOM 0 HA ASN A 58 20.298 24.408 4.780 1.00 54.15 H new ATOM 0 HB2 ASN A 58 23.070 24.854 5.051 1.00 1.02 H new ATOM 0 HB3 ASN A 58 22.545 26.057 3.890 1.00 1.02 H new ATOM 0 HD21 ASN A 58 21.155 26.171 7.799 1.00 24.14 H new ATOM 0 HD22 ASN A 58 21.815 24.682 7.114 1.00 24.14 H new ATOM 896 N PHE A 59 20.512 23.879 1.861 1.00 74.01 N ATOM 897 CA PHE A 59 20.092 24.162 0.493 1.00 2.33 C ATOM 898 C PHE A 59 21.029 25.171 -0.165 1.00 62.20 C ATOM 899 O PHE A 59 20.596 26.221 -0.640 1.00 74.31 O ATOM 900 CB PHE A 59 18.658 24.696 0.477 1.00 21.52 C ATOM 901 CG PHE A 59 17.617 23.614 0.434 1.00 31.11 C ATOM 902 CD1 PHE A 59 17.715 22.506 1.260 1.00 64.32 C ATOM 903 CD2 PHE A 59 16.540 23.705 -0.433 1.00 13.23 C ATOM 904 CE1 PHE A 59 16.759 21.509 1.223 1.00 72.32 C ATOM 905 CE2 PHE A 59 15.580 22.712 -0.474 1.00 31.33 C ATOM 906 CZ PHE A 59 15.690 21.612 0.354 1.00 21.51 C ATOM 0 H PHE A 59 20.611 22.887 2.075 1.00 74.01 H new ATOM 0 HA PHE A 59 20.132 23.231 -0.073 1.00 2.33 H new ATOM 0 HB2 PHE A 59 18.497 25.309 1.364 1.00 21.52 H new ATOM 0 HB3 PHE A 59 18.530 25.347 -0.388 1.00 21.52 H new ATOM 0 HD1 PHE A 59 18.549 22.421 1.941 1.00 64.32 H new ATOM 0 HD2 PHE A 59 16.450 24.562 -1.084 1.00 13.23 H new ATOM 0 HE1 PHE A 59 16.847 20.651 1.872 1.00 72.32 H new ATOM 0 HE2 PHE A 59 14.744 22.796 -1.153 1.00 31.33 H new ATOM 0 HZ PHE A 59 14.942 20.834 0.322 1.00 21.51 H new ATOM 916 N LYS A 60 22.317 24.845 -0.189 1.00 20.21 N ATOM 917 CA LYS A 60 23.317 25.720 -0.789 1.00 23.33 C ATOM 918 C LYS A 60 22.886 26.164 -2.182 1.00 54.45 C ATOM 919 O LYS A 60 23.091 27.314 -2.569 1.00 52.21 O ATOM 920 CB LYS A 60 24.669 25.006 -0.865 1.00 51.13 C ATOM 921 CG LYS A 60 25.723 25.782 -1.636 1.00 24.51 C ATOM 922 CD LYS A 60 26.100 25.077 -2.929 1.00 14.42 C ATOM 923 CE LYS A 60 27.189 25.831 -3.677 1.00 74.32 C ATOM 924 NZ LYS A 60 28.213 24.909 -4.241 1.00 61.04 N ATOM 0 H LYS A 60 22.693 23.980 0.200 1.00 20.21 H new ATOM 0 HA LYS A 60 23.415 26.604 -0.159 1.00 23.33 H new ATOM 0 HB2 LYS A 60 25.032 24.823 0.147 1.00 51.13 H new ATOM 0 HB3 LYS A 60 24.530 24.032 -1.335 1.00 51.13 H new ATOM 0 HG2 LYS A 60 25.349 26.781 -1.861 1.00 24.51 H new ATOM 0 HG3 LYS A 60 26.611 25.906 -1.016 1.00 24.51 H new ATOM 0 HD2 LYS A 60 26.442 24.066 -2.707 1.00 14.42 H new ATOM 0 HD3 LYS A 60 25.219 24.983 -3.564 1.00 14.42 H new ATOM 0 HE2 LYS A 60 26.741 26.413 -4.483 1.00 74.32 H new ATOM 0 HE3 LYS A 60 27.670 26.539 -3.002 1.00 74.32 H new ATOM 0 HZ1 LYS A 60 28.938 25.461 -4.743 1.00 61.04 H new ATOM 0 HZ2 LYS A 60 28.659 24.372 -3.470 1.00 61.04 H new ATOM 0 HZ3 LYS A 60 27.759 24.250 -4.904 1.00 61.04 H new ATOM 938 N GLY A 61 22.285 25.245 -2.933 1.00 0.43 N ATOM 939 CA GLY A 61 21.833 25.563 -4.275 1.00 13.05 C ATOM 940 C GLY A 61 21.562 24.323 -5.104 1.00 2.42 C ATOM 941 O GLY A 61 20.413 24.020 -5.423 1.00 34.41 O ATOM 0 H GLY A 61 22.103 24.286 -2.636 1.00 0.43 H new ATOM 0 HA2 GLY A 61 20.925 26.163 -4.217 1.00 13.05 H new ATOM 0 HA3 GLY A 61 22.586 26.173 -4.774 1.00 13.05 H new ATOM 945 N VAL A 62 22.624 23.605 -5.456 1.00 0.32 N ATOM 946 CA VAL A 62 22.496 22.392 -6.254 1.00 30.11 C ATOM 947 C VAL A 62 21.476 21.437 -5.643 1.00 41.40 C ATOM 948 O VAL A 62 21.693 20.891 -4.561 1.00 74.45 O ATOM 949 CB VAL A 62 23.847 21.664 -6.390 1.00 13.24 C ATOM 950 CG1 VAL A 62 24.476 21.447 -5.022 1.00 62.10 C ATOM 951 CG2 VAL A 62 23.668 20.342 -7.120 1.00 32.45 C ATOM 0 H VAL A 62 23.583 23.843 -5.201 1.00 0.32 H new ATOM 0 HA VAL A 62 22.156 22.699 -7.243 1.00 30.11 H new ATOM 0 HB VAL A 62 24.520 22.289 -6.978 1.00 13.24 H new ATOM 0 HG11 VAL A 62 25.429 20.932 -5.138 1.00 62.10 H new ATOM 0 HG12 VAL A 62 24.641 22.411 -4.540 1.00 62.10 H new ATOM 0 HG13 VAL A 62 23.809 20.843 -4.407 1.00 62.10 H new ATOM 0 HG21 VAL A 62 24.632 19.841 -7.207 1.00 32.45 H new ATOM 0 HG22 VAL A 62 22.979 19.708 -6.561 1.00 32.45 H new ATOM 0 HG23 VAL A 62 23.264 20.528 -8.115 1.00 32.45 H new ATOM 961 N ARG A 63 20.364 21.241 -6.343 1.00 53.54 N ATOM 962 CA ARG A 63 19.309 20.353 -5.870 1.00 2.24 C ATOM 963 C ARG A 63 18.848 19.415 -6.981 1.00 44.04 C ATOM 964 O ARG A 63 18.498 19.858 -8.076 1.00 24.35 O ATOM 965 CB ARG A 63 18.123 21.167 -5.350 1.00 54.00 C ATOM 966 CG ARG A 63 17.429 21.988 -6.425 1.00 64.33 C ATOM 967 CD ARG A 63 16.347 22.878 -5.835 1.00 41.13 C ATOM 968 NE ARG A 63 15.576 23.561 -6.870 1.00 53.04 N ATOM 969 CZ ARG A 63 14.821 24.629 -6.640 1.00 15.22 C ATOM 970 NH1 ARG A 63 14.736 25.134 -5.417 1.00 2.03 N ATOM 971 NH2 ARG A 63 14.148 25.195 -7.634 1.00 1.10 N ATOM 0 H ARG A 63 20.170 21.685 -7.240 1.00 53.54 H new ATOM 0 HA ARG A 63 19.713 19.752 -5.056 1.00 2.24 H new ATOM 0 HB2 ARG A 63 17.399 20.489 -4.898 1.00 54.00 H new ATOM 0 HB3 ARG A 63 18.470 21.835 -4.562 1.00 54.00 H new ATOM 0 HG2 ARG A 63 18.163 22.603 -6.946 1.00 64.33 H new ATOM 0 HG3 ARG A 63 16.989 21.321 -7.166 1.00 64.33 H new ATOM 0 HD2 ARG A 63 15.677 22.276 -5.222 1.00 41.13 H new ATOM 0 HD3 ARG A 63 16.804 23.617 -5.177 1.00 41.13 H new ATOM 0 HE ARG A 63 15.620 23.198 -7.822 1.00 53.04 H new ATOM 0 HH11 ARG A 63 15.251 24.702 -4.650 1.00 2.03 H new ATOM 0 HH12 ARG A 63 14.155 25.954 -5.243 1.00 2.03 H new ATOM 0 HH21 ARG A 63 14.210 24.810 -8.576 1.00 1.10 H new ATOM 0 HH22 ARG A 63 13.569 26.015 -7.456 1.00 1.10 H new ATOM 985 N ASP A 64 18.852 18.118 -6.693 1.00 52.32 N ATOM 986 CA ASP A 64 18.434 17.117 -7.668 1.00 12.31 C ATOM 987 C ASP A 64 17.062 16.552 -7.312 1.00 42.13 C ATOM 988 O ASP A 64 16.498 16.875 -6.266 1.00 64.34 O ATOM 989 CB ASP A 64 19.461 15.987 -7.743 1.00 23.14 C ATOM 990 CG ASP A 64 19.955 15.745 -9.156 1.00 12.44 C ATOM 991 OD1 ASP A 64 20.701 16.600 -9.677 1.00 71.11 O ATOM 992 OD2 ASP A 64 19.594 14.702 -9.740 1.00 41.23 O ATOM 0 H ASP A 64 19.140 17.735 -5.793 1.00 52.32 H new ATOM 0 HA ASP A 64 18.366 17.601 -8.643 1.00 12.31 H new ATOM 0 HB2 ASP A 64 20.309 16.227 -7.101 1.00 23.14 H new ATOM 0 HB3 ASP A 64 19.017 15.070 -7.355 1.00 23.14 H new ATOM 997 N PHE A 65 16.530 15.708 -8.190 1.00 22.21 N ATOM 998 CA PHE A 65 15.223 15.099 -7.970 1.00 4.13 C ATOM 999 C PHE A 65 15.091 13.797 -8.754 1.00 30.11 C ATOM 1000 O PHE A 65 15.141 13.793 -9.984 1.00 70.52 O ATOM 1001 CB PHE A 65 14.111 16.068 -8.376 1.00 70.21 C ATOM 1002 CG PHE A 65 14.348 16.731 -9.703 1.00 23.51 C ATOM 1003 CD1 PHE A 65 15.118 17.880 -9.790 1.00 74.34 C ATOM 1004 CD2 PHE A 65 13.803 16.204 -10.863 1.00 13.24 C ATOM 1005 CE1 PHE A 65 15.337 18.492 -11.010 1.00 32.20 C ATOM 1006 CE2 PHE A 65 14.019 16.812 -12.085 1.00 72.22 C ATOM 1007 CZ PHE A 65 14.788 17.957 -12.159 1.00 32.41 C ATOM 0 H PHE A 65 16.984 15.430 -9.060 1.00 22.21 H new ATOM 0 HA PHE A 65 15.129 14.873 -6.908 1.00 4.13 H new ATOM 0 HB2 PHE A 65 13.165 15.528 -8.413 1.00 70.21 H new ATOM 0 HB3 PHE A 65 14.011 16.835 -7.608 1.00 70.21 H new ATOM 0 HD1 PHE A 65 15.552 18.302 -8.895 1.00 74.34 H new ATOM 0 HD2 PHE A 65 13.203 15.308 -10.811 1.00 13.24 H new ATOM 0 HE1 PHE A 65 15.937 19.388 -11.065 1.00 32.20 H new ATOM 0 HE2 PHE A 65 13.587 16.392 -12.981 1.00 72.22 H new ATOM 0 HZ PHE A 65 14.960 18.433 -13.113 1.00 32.41 H new ATOM 1017 N TYR A 66 14.923 12.694 -8.033 1.00 75.01 N ATOM 1018 CA TYR A 66 14.786 11.385 -8.660 1.00 31.40 C ATOM 1019 C TYR A 66 13.367 10.848 -8.496 1.00 63.34 C ATOM 1020 O TYR A 66 12.720 11.069 -7.472 1.00 42.22 O ATOM 1021 CB TYR A 66 15.789 10.400 -8.056 1.00 73.25 C ATOM 1022 CG TYR A 66 16.919 10.037 -8.993 1.00 23.15 C ATOM 1023 CD1 TYR A 66 16.663 9.524 -10.258 1.00 35.21 C ATOM 1024 CD2 TYR A 66 18.245 10.208 -8.612 1.00 14.13 C ATOM 1025 CE1 TYR A 66 17.692 9.190 -11.116 1.00 4.21 C ATOM 1026 CE2 TYR A 66 19.281 9.879 -9.464 1.00 31.43 C ATOM 1027 CZ TYR A 66 19.000 9.370 -10.714 1.00 72.44 C ATOM 1028 OH TYR A 66 20.029 9.040 -11.567 1.00 35.22 O ATOM 0 H TYR A 66 14.878 12.680 -7.014 1.00 75.01 H new ATOM 0 HA TYR A 66 14.992 11.497 -9.725 1.00 31.40 H new ATOM 0 HB2 TYR A 66 16.207 10.831 -7.146 1.00 73.25 H new ATOM 0 HB3 TYR A 66 15.263 9.491 -7.765 1.00 73.25 H new ATOM 0 HD1 TYR A 66 15.641 9.384 -10.576 1.00 35.21 H new ATOM 0 HD2 TYR A 66 18.469 10.605 -7.633 1.00 14.13 H new ATOM 0 HE1 TYR A 66 17.475 8.790 -12.096 1.00 4.21 H new ATOM 0 HE2 TYR A 66 20.306 10.020 -9.153 1.00 31.43 H new ATOM 0 HH TYR A 66 20.887 9.228 -11.133 1.00 35.22 H new ATOM 1038 N THR A 67 12.889 10.139 -9.514 1.00 72.32 N ATOM 1039 CA THR A 67 11.547 9.570 -9.486 1.00 24.45 C ATOM 1040 C THR A 67 11.534 8.163 -10.072 1.00 64.33 C ATOM 1041 O THR A 67 10.530 7.722 -10.631 1.00 40.33 O ATOM 1042 CB THR A 67 10.548 10.447 -10.263 1.00 21.02 C ATOM 1043 OG1 THR A 67 9.218 9.944 -10.092 1.00 3.24 O ATOM 1044 CG2 THR A 67 10.896 10.481 -11.743 1.00 50.54 C ATOM 0 H THR A 67 13.411 9.945 -10.368 1.00 72.32 H new ATOM 0 HA THR A 67 11.244 9.528 -8.440 1.00 24.45 H new ATOM 0 HB THR A 67 10.606 11.462 -9.869 1.00 21.02 H new ATOM 0 HG1 THR A 67 9.194 8.995 -10.334 1.00 3.24 H new ATOM 0 HG21 THR A 67 10.177 11.106 -12.272 1.00 50.54 H new ATOM 0 HG22 THR A 67 11.898 10.891 -11.872 1.00 50.54 H new ATOM 0 HG23 THR A 67 10.864 9.469 -12.148 1.00 50.54 H new ATOM 1052 N SER A 68 12.656 7.461 -9.941 1.00 12.31 N ATOM 1053 CA SER A 68 12.774 6.104 -10.461 1.00 40.23 C ATOM 1054 C SER A 68 14.048 5.437 -9.953 1.00 64.33 C ATOM 1055 O SER A 68 15.002 6.110 -9.563 1.00 10.42 O ATOM 1056 CB SER A 68 12.768 6.120 -11.991 1.00 72.31 C ATOM 1057 OG SER A 68 13.426 7.270 -12.492 1.00 52.31 O ATOM 0 H SER A 68 13.496 7.810 -9.479 1.00 12.31 H new ATOM 0 HA SER A 68 11.918 5.529 -10.107 1.00 40.23 H new ATOM 0 HB2 SER A 68 13.259 5.223 -12.369 1.00 72.31 H new ATOM 0 HB3 SER A 68 11.740 6.098 -12.354 1.00 72.31 H new ATOM 0 HG SER A 68 13.410 7.255 -13.472 1.00 52.31 H new ATOM 1063 N ASP A 69 14.056 4.108 -9.962 1.00 5.33 N ATOM 1064 CA ASP A 69 15.213 3.348 -9.503 1.00 62.21 C ATOM 1065 C ASP A 69 16.489 3.840 -10.178 1.00 65.14 C ATOM 1066 O ASP A 69 16.639 3.736 -11.395 1.00 63.44 O ATOM 1067 CB ASP A 69 15.015 1.858 -9.784 1.00 74.42 C ATOM 1068 CG ASP A 69 13.992 1.225 -8.861 1.00 11.54 C ATOM 1069 OD1 ASP A 69 13.251 1.977 -8.192 1.00 72.25 O ATOM 1070 OD2 ASP A 69 13.932 -0.021 -8.807 1.00 10.54 O ATOM 0 H ASP A 69 13.275 3.535 -10.282 1.00 5.33 H new ATOM 0 HA ASP A 69 15.311 3.497 -8.428 1.00 62.21 H new ATOM 0 HB2 ASP A 69 14.698 1.725 -10.818 1.00 74.42 H new ATOM 0 HB3 ASP A 69 15.968 1.341 -9.674 1.00 74.42 H new ATOM 1075 N ALA A 70 17.406 4.377 -9.380 1.00 10.21 N ATOM 1076 CA ALA A 70 18.670 4.885 -9.900 1.00 75.42 C ATOM 1077 C ALA A 70 19.852 4.126 -9.307 1.00 32.02 C ATOM 1078 O ALA A 70 20.142 4.243 -8.117 1.00 33.55 O ATOM 1079 CB ALA A 70 18.798 6.373 -9.614 1.00 42.45 C ATOM 0 H ALA A 70 17.297 4.472 -8.370 1.00 10.21 H new ATOM 0 HA ALA A 70 18.679 4.732 -10.979 1.00 75.42 H new ATOM 0 HB1 ALA A 70 19.746 6.739 -10.008 1.00 42.45 H new ATOM 0 HB2 ALA A 70 17.977 6.907 -10.091 1.00 42.45 H new ATOM 0 HB3 ALA A 70 18.763 6.541 -8.538 1.00 42.45 H new ATOM 1085 N ALA A 71 20.530 3.348 -10.144 1.00 44.30 N ATOM 1086 CA ALA A 71 21.682 2.572 -9.702 1.00 31.30 C ATOM 1087 C ALA A 71 22.802 3.482 -9.211 1.00 45.12 C ATOM 1088 O ALA A 71 23.598 3.096 -8.355 1.00 75.02 O ATOM 1089 CB ALA A 71 22.180 1.679 -10.829 1.00 21.45 C ATOM 0 H ALA A 71 20.301 3.238 -11.132 1.00 44.30 H new ATOM 0 HA ALA A 71 21.368 1.945 -8.868 1.00 31.30 H new ATOM 0 HB1 ALA A 71 23.041 1.105 -10.485 1.00 21.45 H new ATOM 0 HB2 ALA A 71 21.386 0.996 -11.130 1.00 21.45 H new ATOM 0 HB3 ALA A 71 22.471 2.295 -11.680 1.00 21.45 H new ATOM 1095 N GLU A 72 22.859 4.692 -9.760 1.00 22.31 N ATOM 1096 CA GLU A 72 23.884 5.656 -9.378 1.00 23.32 C ATOM 1097 C GLU A 72 23.253 6.938 -8.842 1.00 61.32 C ATOM 1098 O GLU A 72 22.522 7.627 -9.554 1.00 14.42 O ATOM 1099 CB GLU A 72 24.784 5.978 -10.573 1.00 32.10 C ATOM 1100 CG GLU A 72 26.213 5.489 -10.409 1.00 31.24 C ATOM 1101 CD GLU A 72 27.191 6.235 -11.295 1.00 54.15 C ATOM 1102 OE1 GLU A 72 26.885 7.382 -11.683 1.00 10.24 O ATOM 1103 OE2 GLU A 72 28.262 5.671 -11.602 1.00 50.11 O ATOM 0 H GLU A 72 22.208 5.027 -10.470 1.00 22.31 H new ATOM 0 HA GLU A 72 24.488 5.211 -8.587 1.00 23.32 H new ATOM 0 HB2 GLU A 72 24.356 5.530 -11.470 1.00 32.10 H new ATOM 0 HB3 GLU A 72 24.794 7.057 -10.729 1.00 32.10 H new ATOM 0 HG2 GLU A 72 26.514 5.601 -9.367 1.00 31.24 H new ATOM 0 HG3 GLU A 72 26.258 4.425 -10.641 1.00 31.24 H new ATOM 1110 N LEU A 73 23.540 7.250 -7.584 1.00 5.35 N ATOM 1111 CA LEU A 73 23.001 8.449 -6.951 1.00 2.03 C ATOM 1112 C LEU A 73 23.241 9.679 -7.821 1.00 30.25 C ATOM 1113 O LEU A 73 24.009 9.632 -8.782 1.00 33.44 O ATOM 1114 CB LEU A 73 23.636 8.652 -5.574 1.00 2.41 C ATOM 1115 CG LEU A 73 22.830 8.138 -4.381 1.00 2.35 C ATOM 1116 CD1 LEU A 73 21.778 9.156 -3.968 1.00 45.53 C ATOM 1117 CD2 LEU A 73 22.181 6.802 -4.711 1.00 41.21 C ATOM 0 H LEU A 73 24.143 6.690 -6.981 1.00 5.35 H new ATOM 0 HA LEU A 73 21.926 8.315 -6.832 1.00 2.03 H new ATOM 0 HB2 LEU A 73 24.609 8.160 -5.569 1.00 2.41 H new ATOM 0 HB3 LEU A 73 23.817 9.718 -5.433 1.00 2.41 H new ATOM 0 HG LEU A 73 23.512 7.991 -3.543 1.00 2.35 H new ATOM 0 HD11 LEU A 73 21.215 8.772 -3.117 1.00 45.53 H new ATOM 0 HD12 LEU A 73 22.265 10.090 -3.689 1.00 45.53 H new ATOM 0 HD13 LEU A 73 21.099 9.336 -4.801 1.00 45.53 H new ATOM 0 HD21 LEU A 73 21.612 6.452 -3.850 1.00 41.21 H new ATOM 0 HD22 LEU A 73 21.513 6.923 -5.563 1.00 41.21 H new ATOM 0 HD23 LEU A 73 22.953 6.073 -4.956 1.00 41.21 H new ATOM 1129 N SER A 74 22.580 10.779 -7.475 1.00 45.43 N ATOM 1130 CA SER A 74 22.720 12.022 -8.226 1.00 25.14 C ATOM 1131 C SER A 74 24.191 12.353 -8.459 1.00 64.43 C ATOM 1132 O SER A 74 24.709 12.184 -9.564 1.00 10.25 O ATOM 1133 CB SER A 74 22.040 13.172 -7.481 1.00 34.34 C ATOM 1134 OG SER A 74 20.634 13.132 -7.657 1.00 21.05 O ATOM 0 H SER A 74 21.943 10.835 -6.680 1.00 45.43 H new ATOM 0 HA SER A 74 22.237 11.889 -9.194 1.00 25.14 H new ATOM 0 HB2 SER A 74 22.279 13.113 -6.419 1.00 34.34 H new ATOM 0 HB3 SER A 74 22.428 14.124 -7.843 1.00 34.34 H new ATOM 0 HG SER A 74 20.326 12.202 -7.620 1.00 21.05 H new ATOM 1140 N ARG A 75 24.859 12.824 -7.411 1.00 50.44 N ATOM 1141 CA ARG A 75 26.270 13.180 -7.502 1.00 11.45 C ATOM 1142 C ARG A 75 27.145 12.097 -6.878 1.00 71.22 C ATOM 1143 O ARG A 75 26.680 10.989 -6.607 1.00 43.33 O ATOM 1144 CB ARG A 75 26.525 14.519 -6.807 1.00 44.31 C ATOM 1145 CG ARG A 75 27.342 15.492 -7.642 1.00 55.50 C ATOM 1146 CD ARG A 75 26.477 16.618 -8.189 1.00 64.34 C ATOM 1147 NE ARG A 75 27.266 17.612 -8.912 1.00 63.43 N ATOM 1148 CZ ARG A 75 26.733 18.623 -9.588 1.00 50.14 C ATOM 1149 NH1 ARG A 75 25.416 18.774 -9.633 1.00 65.34 N ATOM 1150 NH2 ARG A 75 27.517 19.487 -10.221 1.00 21.32 N ATOM 0 H ARG A 75 24.446 12.968 -6.489 1.00 50.44 H new ATOM 0 HA ARG A 75 26.529 13.270 -8.557 1.00 11.45 H new ATOM 0 HB2 ARG A 75 25.568 14.979 -6.561 1.00 44.31 H new ATOM 0 HB3 ARG A 75 27.043 14.337 -5.865 1.00 44.31 H new ATOM 0 HG2 ARG A 75 28.144 15.910 -7.034 1.00 55.50 H new ATOM 0 HG3 ARG A 75 27.812 14.959 -8.468 1.00 55.50 H new ATOM 0 HD2 ARG A 75 25.719 16.203 -8.854 1.00 64.34 H new ATOM 0 HD3 ARG A 75 25.949 17.102 -7.367 1.00 64.34 H new ATOM 0 HE ARG A 75 28.282 17.525 -8.897 1.00 63.43 H new ATOM 0 HH11 ARG A 75 24.810 18.113 -9.148 1.00 65.34 H new ATOM 0 HH12 ARG A 75 25.009 19.552 -10.153 1.00 65.34 H new ATOM 0 HH21 ARG A 75 28.530 19.375 -10.189 1.00 21.32 H new ATOM 0 HH22 ARG A 75 27.106 20.263 -10.740 1.00 21.32 H new ATOM 1164 N ASP A 76 28.413 12.424 -6.654 1.00 73.11 N ATOM 1165 CA ASP A 76 29.353 11.479 -6.062 1.00 50.22 C ATOM 1166 C ASP A 76 28.788 10.884 -4.776 1.00 60.55 C ATOM 1167 O ASP A 76 28.533 11.599 -3.809 1.00 5.31 O ATOM 1168 CB ASP A 76 30.689 12.167 -5.776 1.00 55.53 C ATOM 1169 CG ASP A 76 31.577 12.239 -7.003 1.00 0.34 C ATOM 1170 OD1 ASP A 76 31.036 12.376 -8.120 1.00 64.33 O ATOM 1171 OD2 ASP A 76 32.813 12.160 -6.845 1.00 21.04 O ATOM 0 H ASP A 76 28.814 13.336 -6.873 1.00 73.11 H new ATOM 0 HA ASP A 76 29.515 10.671 -6.775 1.00 50.22 H new ATOM 0 HB2 ASP A 76 30.503 13.175 -5.406 1.00 55.53 H new ATOM 0 HB3 ASP A 76 31.210 11.628 -4.985 1.00 55.53 H new ATOM 1176 N ASN A 77 28.594 9.569 -4.775 1.00 35.31 N ATOM 1177 CA ASN A 77 28.057 8.877 -3.609 1.00 31.14 C ATOM 1178 C ASN A 77 26.575 9.188 -3.426 1.00 14.22 C ATOM 1179 O ASN A 77 25.721 8.320 -3.606 1.00 35.14 O ATOM 1180 CB ASN A 77 28.832 9.276 -2.351 1.00 62.05 C ATOM 1181 CG ASN A 77 30.302 9.520 -2.632 1.00 43.51 C ATOM 1182 OD1 ASN A 77 30.905 8.853 -3.473 1.00 75.01 O ATOM 1183 ND2 ASN A 77 30.887 10.481 -1.927 1.00 3.54 N ATOM 0 H ASN A 77 28.801 8.962 -5.568 1.00 35.31 H new ATOM 0 HA ASN A 77 28.168 7.805 -3.772 1.00 31.14 H new ATOM 0 HB2 ASN A 77 28.391 10.178 -1.927 1.00 62.05 H new ATOM 0 HB3 ASN A 77 28.733 8.490 -1.602 1.00 62.05 H new ATOM 0 HD21 ASN A 77 31.874 10.691 -2.072 1.00 3.54 H new ATOM 0 HD22 ASN A 77 30.349 11.009 -1.240 1.00 3.54 H new ATOM 1190 N ASP A 78 26.277 10.432 -3.068 1.00 51.51 N ATOM 1191 CA ASP A 78 24.898 10.860 -2.862 1.00 71.24 C ATOM 1192 C ASP A 78 24.829 12.359 -2.586 1.00 72.54 C ATOM 1193 O ASP A 78 24.742 13.166 -3.511 1.00 3.44 O ATOM 1194 CB ASP A 78 24.269 10.086 -1.703 1.00 21.42 C ATOM 1195 CG ASP A 78 22.904 10.622 -1.321 1.00 54.33 C ATOM 1196 OD1 ASP A 78 22.292 11.330 -2.149 1.00 14.35 O ATOM 1197 OD2 ASP A 78 22.446 10.334 -0.196 1.00 24.42 O ATOM 0 H ASP A 78 26.972 11.162 -2.914 1.00 51.51 H new ATOM 0 HA ASP A 78 24.339 10.651 -3.774 1.00 71.24 H new ATOM 0 HB2 ASP A 78 24.179 9.035 -1.978 1.00 21.42 H new ATOM 0 HB3 ASP A 78 24.930 10.133 -0.837 1.00 21.42 H new ATOM 1202 N ALA A 79 24.867 12.722 -1.309 1.00 14.13 N ATOM 1203 CA ALA A 79 24.809 14.123 -0.911 1.00 43.31 C ATOM 1204 C ALA A 79 24.732 14.261 0.606 1.00 70.14 C ATOM 1205 O ALA A 79 24.584 13.271 1.322 1.00 72.45 O ATOM 1206 CB ALA A 79 23.620 14.810 -1.567 1.00 30.44 C ATOM 0 H ALA A 79 24.938 12.065 -0.532 1.00 14.13 H new ATOM 0 HA ALA A 79 25.725 14.608 -1.247 1.00 43.31 H new ATOM 0 HB1 ALA A 79 23.589 15.856 -1.261 1.00 30.44 H new ATOM 0 HB2 ALA A 79 23.719 14.752 -2.651 1.00 30.44 H new ATOM 0 HB3 ALA A 79 22.699 14.315 -1.260 1.00 30.44 H new ATOM 1212 N SER A 80 24.834 15.495 1.089 1.00 20.22 N ATOM 1213 CA SER A 80 24.780 15.761 2.522 1.00 42.11 C ATOM 1214 C SER A 80 23.355 15.617 3.048 1.00 25.41 C ATOM 1215 O SER A 80 23.130 15.036 4.110 1.00 70.12 O ATOM 1216 CB SER A 80 25.306 17.166 2.821 1.00 44.20 C ATOM 1217 OG SER A 80 25.122 17.500 4.186 1.00 52.13 O ATOM 0 H SER A 80 24.954 16.326 0.510 1.00 20.22 H new ATOM 0 HA SER A 80 25.411 15.029 3.027 1.00 42.11 H new ATOM 0 HB2 SER A 80 26.365 17.222 2.569 1.00 44.20 H new ATOM 0 HB3 SER A 80 24.790 17.892 2.193 1.00 44.20 H new ATOM 0 HG SER A 80 25.468 18.402 4.352 1.00 52.13 H new ATOM 1223 N SER A 81 22.397 16.150 2.297 1.00 20.41 N ATOM 1224 CA SER A 81 20.994 16.084 2.688 1.00 12.25 C ATOM 1225 C SER A 81 20.133 15.569 1.539 1.00 13.41 C ATOM 1226 O SER A 81 20.524 15.642 0.374 1.00 14.40 O ATOM 1227 CB SER A 81 20.501 17.463 3.132 1.00 43.23 C ATOM 1228 OG SER A 81 19.088 17.492 3.233 1.00 61.23 O ATOM 0 H SER A 81 22.567 16.632 1.414 1.00 20.41 H new ATOM 0 HA SER A 81 20.908 15.389 3.523 1.00 12.25 H new ATOM 0 HB2 SER A 81 20.943 17.718 4.095 1.00 43.23 H new ATOM 0 HB3 SER A 81 20.833 18.218 2.420 1.00 43.23 H new ATOM 0 HG SER A 81 18.788 16.776 3.831 1.00 61.23 H new ATOM 1234 N VAL A 82 18.957 15.048 1.876 1.00 3.01 N ATOM 1235 CA VAL A 82 18.039 14.521 0.874 1.00 51.44 C ATOM 1236 C VAL A 82 16.589 14.693 1.313 1.00 70.44 C ATOM 1237 O VAL A 82 16.311 14.947 2.484 1.00 14.45 O ATOM 1238 CB VAL A 82 18.307 13.030 0.595 1.00 13.42 C ATOM 1239 CG1 VAL A 82 19.731 12.827 0.103 1.00 64.52 C ATOM 1240 CG2 VAL A 82 18.041 12.200 1.842 1.00 74.14 C ATOM 0 H VAL A 82 18.618 14.980 2.836 1.00 3.01 H new ATOM 0 HA VAL A 82 18.208 15.089 -0.041 1.00 51.44 H new ATOM 0 HB VAL A 82 17.627 12.696 -0.188 1.00 13.42 H new ATOM 0 HG11 VAL A 82 19.902 11.768 -0.089 1.00 64.52 H new ATOM 0 HG12 VAL A 82 19.882 13.391 -0.817 1.00 64.52 H new ATOM 0 HG13 VAL A 82 20.431 13.176 0.862 1.00 64.52 H new ATOM 0 HG21 VAL A 82 18.235 11.149 1.628 1.00 74.14 H new ATOM 0 HG22 VAL A 82 18.696 12.533 2.647 1.00 74.14 H new ATOM 0 HG23 VAL A 82 17.001 12.322 2.146 1.00 74.14 H new ATOM 1250 N ARG A 83 15.669 14.551 0.364 1.00 33.44 N ATOM 1251 CA ARG A 83 14.246 14.690 0.653 1.00 5.30 C ATOM 1252 C ARG A 83 13.456 13.521 0.072 1.00 44.43 C ATOM 1253 O ARG A 83 13.768 13.025 -1.011 1.00 11.10 O ATOM 1254 CB ARG A 83 13.717 16.009 0.088 1.00 53.34 C ATOM 1255 CG ARG A 83 12.835 16.777 1.058 1.00 14.51 C ATOM 1256 CD ARG A 83 13.164 18.262 1.055 1.00 24.14 C ATOM 1257 NE ARG A 83 12.079 19.065 1.613 1.00 62.21 N ATOM 1258 CZ ARG A 83 10.973 19.371 0.944 1.00 20.21 C ATOM 1259 NH1 ARG A 83 10.807 18.943 -0.300 1.00 35.23 N ATOM 1260 NH2 ARG A 83 10.030 20.106 1.520 1.00 63.02 N ATOM 0 H ARG A 83 15.883 14.340 -0.611 1.00 33.44 H new ATOM 0 HA ARG A 83 14.118 14.689 1.735 1.00 5.30 H new ATOM 0 HB2 ARG A 83 14.561 16.637 -0.197 1.00 53.34 H new ATOM 0 HB3 ARG A 83 13.151 15.804 -0.821 1.00 53.34 H new ATOM 0 HG2 ARG A 83 11.788 16.635 0.790 1.00 14.51 H new ATOM 0 HG3 ARG A 83 12.964 16.377 2.064 1.00 14.51 H new ATOM 0 HD2 ARG A 83 14.074 18.433 1.630 1.00 24.14 H new ATOM 0 HD3 ARG A 83 13.367 18.586 0.034 1.00 24.14 H new ATOM 0 HE ARG A 83 12.176 19.409 2.568 1.00 62.21 H new ATOM 0 HH11 ARG A 83 11.530 18.377 -0.745 1.00 35.23 H new ATOM 0 HH12 ARG A 83 9.957 19.179 -0.811 1.00 35.23 H new ATOM 0 HH21 ARG A 83 10.154 20.436 2.477 1.00 63.02 H new ATOM 0 HH22 ARG A 83 9.181 20.341 1.006 1.00 63.02 H new ATOM 1274 N VAL A 84 12.432 13.086 0.799 1.00 64.01 N ATOM 1275 CA VAL A 84 11.597 11.976 0.356 1.00 42.12 C ATOM 1276 C VAL A 84 10.118 12.286 0.559 1.00 24.12 C ATOM 1277 O VAL A 84 9.725 12.840 1.586 1.00 61.33 O ATOM 1278 CB VAL A 84 11.946 10.677 1.106 1.00 61.35 C ATOM 1279 CG1 VAL A 84 13.443 10.412 1.047 1.00 72.42 C ATOM 1280 CG2 VAL A 84 11.465 10.748 2.547 1.00 42.30 C ATOM 0 H VAL A 84 12.161 13.485 1.697 1.00 64.01 H new ATOM 0 HA VAL A 84 11.793 11.837 -0.707 1.00 42.12 H new ATOM 0 HB VAL A 84 11.435 9.847 0.617 1.00 61.35 H new ATOM 0 HG11 VAL A 84 13.671 9.490 1.582 1.00 72.42 H new ATOM 0 HG12 VAL A 84 13.754 10.314 0.007 1.00 72.42 H new ATOM 0 HG13 VAL A 84 13.978 11.242 1.509 1.00 72.42 H new ATOM 0 HG21 VAL A 84 11.720 9.822 3.062 1.00 42.30 H new ATOM 0 HG22 VAL A 84 11.946 11.587 3.050 1.00 42.30 H new ATOM 0 HG23 VAL A 84 10.384 10.886 2.563 1.00 42.30 H new ATOM 1290 N SER A 85 9.303 11.924 -0.426 1.00 14.11 N ATOM 1291 CA SER A 85 7.866 12.166 -0.357 1.00 3.21 C ATOM 1292 C SER A 85 7.119 11.292 -1.360 1.00 22.05 C ATOM 1293 O SER A 85 7.730 10.580 -2.157 1.00 30.12 O ATOM 1294 CB SER A 85 7.563 13.642 -0.624 1.00 61.33 C ATOM 1295 OG SER A 85 8.580 14.475 -0.097 1.00 5.22 O ATOM 0 H SER A 85 9.612 11.462 -1.281 1.00 14.11 H new ATOM 0 HA SER A 85 7.527 11.908 0.646 1.00 3.21 H new ATOM 0 HB2 SER A 85 7.471 13.809 -1.697 1.00 61.33 H new ATOM 0 HB3 SER A 85 6.604 13.906 -0.177 1.00 61.33 H new ATOM 0 HG SER A 85 8.920 14.089 0.737 1.00 5.22 H new ATOM 1301 N LYS A 86 5.793 11.351 -1.313 1.00 53.22 N ATOM 1302 CA LYS A 86 4.959 10.567 -2.217 1.00 3.11 C ATOM 1303 C LYS A 86 4.349 11.452 -3.299 1.00 72.43 C ATOM 1304 O LYS A 86 3.572 12.360 -3.006 1.00 44.33 O ATOM 1305 CB LYS A 86 3.850 9.860 -1.436 1.00 33.53 C ATOM 1306 CG LYS A 86 2.927 9.028 -2.309 1.00 34.50 C ATOM 1307 CD LYS A 86 2.673 7.657 -1.704 1.00 73.24 C ATOM 1308 CE LYS A 86 1.340 7.084 -2.162 1.00 10.00 C ATOM 1309 NZ LYS A 86 0.189 7.860 -1.623 1.00 74.15 N ATOM 0 H LYS A 86 5.272 11.934 -0.658 1.00 53.22 H new ATOM 0 HA LYS A 86 5.590 9.819 -2.697 1.00 3.11 H new ATOM 0 HB2 LYS A 86 4.302 9.215 -0.682 1.00 33.53 H new ATOM 0 HB3 LYS A 86 3.259 10.606 -0.905 1.00 33.53 H new ATOM 0 HG2 LYS A 86 1.979 9.550 -2.439 1.00 34.50 H new ATOM 0 HG3 LYS A 86 3.367 8.914 -3.300 1.00 34.50 H new ATOM 0 HD2 LYS A 86 3.478 6.979 -1.986 1.00 73.24 H new ATOM 0 HD3 LYS A 86 2.684 7.730 -0.617 1.00 73.24 H new ATOM 0 HE2 LYS A 86 1.300 7.084 -3.251 1.00 10.00 H new ATOM 0 HE3 LYS A 86 1.261 6.046 -1.840 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 -0.660 7.259 -1.612 1.00 74.15 H new ATOM 0 HZ2 LYS A 86 0.404 8.173 -0.655 1.00 74.15 H new ATOM 0 HZ3 LYS A 86 0.018 8.691 -2.225 1.00 74.15 H new ATOM 1323 N MET A 87 4.704 11.178 -4.550 1.00 40.35 N ATOM 1324 CA MET A 87 4.188 11.948 -5.676 1.00 42.44 C ATOM 1325 C MET A 87 2.735 11.584 -5.964 1.00 63.12 C ATOM 1326 O MET A 87 2.093 10.890 -5.177 1.00 21.21 O ATOM 1327 CB MET A 87 5.043 11.706 -6.922 1.00 3.42 C ATOM 1328 CG MET A 87 5.310 12.966 -7.730 1.00 75.22 C ATOM 1329 SD MET A 87 4.906 12.768 -9.477 1.00 5.24 S ATOM 1330 CE MET A 87 5.334 14.389 -10.108 1.00 61.11 C ATOM 0 H MET A 87 5.346 10.429 -4.810 1.00 40.35 H new ATOM 0 HA MET A 87 4.234 13.005 -5.412 1.00 42.44 H new ATOM 0 HB2 MET A 87 5.995 11.269 -6.620 1.00 3.42 H new ATOM 0 HB3 MET A 87 4.544 10.975 -7.558 1.00 3.42 H new ATOM 0 HG2 MET A 87 4.726 13.789 -7.317 1.00 75.22 H new ATOM 0 HG3 MET A 87 6.360 13.240 -7.633 1.00 75.22 H new ATOM 0 HE1 MET A 87 5.140 14.425 -11.180 1.00 61.11 H new ATOM 0 HE2 MET A 87 4.733 15.146 -9.604 1.00 61.11 H new ATOM 0 HE3 MET A 87 6.391 14.584 -9.924 1.00 61.11 H new ATOM 1340 N GLU A 88 2.224 12.057 -7.097 1.00 21.04 N ATOM 1341 CA GLU A 88 0.846 11.781 -7.486 1.00 64.31 C ATOM 1342 C GLU A 88 -0.133 12.345 -6.461 1.00 5.44 C ATOM 1343 O GLU A 88 -1.294 11.941 -6.405 1.00 75.12 O ATOM 1344 CB GLU A 88 0.629 10.274 -7.639 1.00 74.05 C ATOM 1345 CG GLU A 88 0.318 9.846 -9.064 1.00 24.20 C ATOM 1346 CD GLU A 88 -0.715 8.738 -9.128 1.00 55.42 C ATOM 1347 OE1 GLU A 88 -0.320 7.554 -9.101 1.00 11.44 O ATOM 1348 OE2 GLU A 88 -1.921 9.057 -9.206 1.00 23.31 O ATOM 0 H GLU A 88 2.743 12.632 -7.760 1.00 21.04 H new ATOM 0 HA GLU A 88 0.662 12.267 -8.444 1.00 64.31 H new ATOM 0 HB2 GLU A 88 1.522 9.750 -7.298 1.00 74.05 H new ATOM 0 HB3 GLU A 88 -0.190 9.965 -6.989 1.00 74.05 H new ATOM 0 HG2 GLU A 88 -0.042 10.707 -9.627 1.00 24.20 H new ATOM 0 HG3 GLU A 88 1.236 9.510 -9.547 1.00 24.20 H new ATOM 1355 N THR A 89 0.346 13.283 -5.648 1.00 54.15 N ATOM 1356 CA THR A 89 -0.485 13.903 -4.624 1.00 30.44 C ATOM 1357 C THR A 89 -1.422 14.942 -5.229 1.00 61.41 C ATOM 1358 O THR A 89 -1.025 16.080 -5.479 1.00 14.51 O ATOM 1359 CB THR A 89 0.373 14.574 -3.535 1.00 43.31 C ATOM 1360 OG1 THR A 89 1.717 14.082 -3.597 1.00 55.13 O ATOM 1361 CG2 THR A 89 -0.205 14.313 -2.152 1.00 65.14 C ATOM 0 H THR A 89 1.305 13.629 -5.680 1.00 54.15 H new ATOM 0 HA THR A 89 -1.075 13.106 -4.172 1.00 30.44 H new ATOM 0 HB THR A 89 0.372 15.649 -3.714 1.00 43.31 H new ATOM 0 HG1 THR A 89 1.772 13.221 -3.132 1.00 55.13 H new ATOM 0 HG21 THR A 89 0.418 14.797 -1.400 1.00 65.14 H new ATOM 0 HG22 THR A 89 -1.217 14.715 -2.099 1.00 65.14 H new ATOM 0 HG23 THR A 89 -0.231 13.239 -1.965 1.00 65.14 H new ATOM 1369 N THR A 90 -2.668 14.543 -5.463 1.00 35.11 N ATOM 1370 CA THR A 90 -3.662 15.440 -6.040 1.00 32.43 C ATOM 1371 C THR A 90 -4.476 16.131 -4.952 1.00 32.21 C ATOM 1372 O THR A 90 -4.477 15.704 -3.798 1.00 70.43 O ATOM 1373 CB THR A 90 -4.620 14.685 -6.981 1.00 12.50 C ATOM 1374 OG1 THR A 90 -4.073 13.405 -7.313 1.00 72.53 O ATOM 1375 CG2 THR A 90 -4.868 15.482 -8.253 1.00 3.30 C ATOM 0 H THR A 90 -3.013 13.604 -5.262 1.00 35.11 H new ATOM 0 HA THR A 90 -3.117 16.190 -6.613 1.00 32.43 H new ATOM 0 HB THR A 90 -5.570 14.550 -6.464 1.00 12.50 H new ATOM 0 HG1 THR A 90 -4.689 12.931 -7.910 1.00 72.53 H new ATOM 0 HG21 THR A 90 -5.547 14.929 -8.902 1.00 3.30 H new ATOM 0 HG22 THR A 90 -5.312 16.444 -7.999 1.00 3.30 H new ATOM 0 HG23 THR A 90 -3.923 15.644 -8.771 1.00 3.30 H new ATOM 1383 N ASN A 91 -5.169 17.201 -5.328 1.00 1.14 N ATOM 1384 CA ASN A 91 -5.988 17.952 -4.383 1.00 20.32 C ATOM 1385 C ASN A 91 -7.417 17.418 -4.358 1.00 52.43 C ATOM 1386 O ASN A 91 -8.062 17.296 -5.399 1.00 70.04 O ATOM 1387 CB ASN A 91 -5.992 19.438 -4.748 1.00 34.42 C ATOM 1388 CG ASN A 91 -5.095 20.258 -3.842 1.00 11.24 C ATOM 1389 OD1 ASN A 91 -5.487 20.635 -2.737 1.00 55.54 O ATOM 1390 ND2 ASN A 91 -3.883 20.539 -4.306 1.00 70.20 N ATOM 0 H ASN A 91 -5.180 17.567 -6.280 1.00 1.14 H new ATOM 0 HA ASN A 91 -5.557 17.831 -3.389 1.00 20.32 H new ATOM 0 HB2 ASN A 91 -5.666 19.556 -5.781 1.00 34.42 H new ATOM 0 HB3 ASN A 91 -7.011 19.821 -4.689 1.00 34.42 H new ATOM 0 HD21 ASN A 91 -3.235 21.088 -3.741 1.00 70.20 H new ATOM 0 HD22 ASN A 91 -3.600 20.206 -5.228 1.00 70.20 H new TER 1397 ASN A 91