USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 958 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 92 SER OG : rot -64:sc= 0.336 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -0.452 F(o=-2.8,f=-0.12) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.776 F(o=-11!,f=-8.7) USER MOD Set 2.2: A 98 HIS :FLIP no HD1:sc= -7.94! C(o=-12!,f=-8.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0496) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot -110:sc= -0.799! USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= -1.36 (180deg=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 38:sc= -1.33 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -1.06 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00354 K(o=-0.0035,f=-1.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= -0.202 (180deg=-1.01) USER MOD Single : A 69 MET CE :methyl 150:sc= -0.161 (180deg=-1.09) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 91 MET CE :methyl -158:sc= -0.212 (180deg=-1.13) USER MOD Single : A 95 TYR OH : rot 98:sc= 1.05 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.36 USER MOD Single : A 110 SER OG : rot 180:sc= 0.00308 USER MOD Single : A 113 ASN : amide:sc= 0.521 X(o=0.52,f=0.47) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.487 0.040 -4.817 1.00 1.33 N ATOM 2 CA MET A 1 -0.483 -1.272 -4.192 1.00 13.52 C ATOM 3 C MET A 1 0.192 -1.223 -2.819 1.00 74.35 C ATOM 4 O MET A 1 -0.466 -1.395 -1.794 1.00 42.21 O ATOM 5 CB MET A 1 0.258 -2.263 -5.091 1.00 33.33 C ATOM 6 CG MET A 1 -0.678 -2.848 -6.150 1.00 54.15 C ATOM 7 SD MET A 1 0.188 -4.067 -7.125 1.00 30.14 S ATOM 8 CE MET A 1 0.705 -3.054 -8.500 1.00 62.13 C ATOM 0 H1 MET A 1 -0.950 -0.020 -5.746 1.00 1.33 H new ATOM 0 H2 MET A 1 -1.006 0.710 -4.214 1.00 1.33 H new ATOM 0 H3 MET A 1 0.492 0.370 -4.938 1.00 1.33 H new ATOM 0 HA MET A 1 -1.516 -1.593 -4.057 1.00 13.52 H new ATOM 0 HB2 MET A 1 1.095 -1.763 -5.577 1.00 33.33 H new ATOM 0 HB3 MET A 1 0.675 -3.067 -4.485 1.00 33.33 H new ATOM 0 HG2 MET A 1 -1.544 -3.303 -5.670 1.00 54.15 H new ATOM 0 HG3 MET A 1 -1.052 -2.053 -6.795 1.00 54.15 H new ATOM 0 HE1 MET A 1 1.264 -3.663 -9.211 1.00 62.13 H new ATOM 0 HE2 MET A 1 -0.172 -2.634 -8.993 1.00 62.13 H new ATOM 0 HE3 MET A 1 1.339 -2.245 -8.138 1.00 62.13 H new ATOM 18 N LYS A 2 1.495 -0.989 -2.845 1.00 24.04 N ATOM 19 CA LYS A 2 2.267 -0.916 -1.615 1.00 75.12 C ATOM 20 C LYS A 2 2.733 0.524 -1.395 1.00 53.54 C ATOM 21 O LYS A 2 2.579 1.071 -0.304 1.00 72.12 O ATOM 22 CB LYS A 2 3.408 -1.935 -1.637 1.00 75.22 C ATOM 23 CG LYS A 2 3.916 -2.158 -3.063 1.00 3.01 C ATOM 24 CD LYS A 2 5.204 -2.984 -3.063 1.00 2.14 C ATOM 25 CE LYS A 2 5.666 -3.281 -4.491 1.00 15.41 C ATOM 26 NZ LYS A 2 6.925 -4.058 -4.478 1.00 0.22 N ATOM 0 H LYS A 2 2.037 -0.847 -3.698 1.00 24.04 H new ATOM 0 HA LYS A 2 1.647 -1.185 -0.760 1.00 75.12 H new ATOM 0 HB2 LYS A 2 4.225 -1.585 -1.006 1.00 75.22 H new ATOM 0 HB3 LYS A 2 3.064 -2.880 -1.217 1.00 75.22 H new ATOM 0 HG2 LYS A 2 3.152 -2.669 -3.649 1.00 3.01 H new ATOM 0 HG3 LYS A 2 4.096 -1.196 -3.543 1.00 3.01 H new ATOM 0 HD2 LYS A 2 5.986 -2.444 -2.529 1.00 2.14 H new ATOM 0 HD3 LYS A 2 5.040 -3.920 -2.528 1.00 2.14 H new ATOM 0 HE2 LYS A 2 4.893 -3.838 -5.021 1.00 15.41 H new ATOM 0 HE3 LYS A 2 5.814 -2.347 -5.033 1.00 15.41 H new ATOM 0 HZ1 LYS A 2 7.224 -4.251 -5.455 1.00 0.22 H new ATOM 0 HZ2 LYS A 2 7.664 -3.513 -3.991 1.00 0.22 H new ATOM 0 HZ3 LYS A 2 6.773 -4.958 -3.979 1.00 0.22 H new ATOM 39 N SER A 3 3.293 1.099 -2.450 1.00 23.43 N ATOM 40 CA SER A 3 3.783 2.465 -2.386 1.00 11.23 C ATOM 41 C SER A 3 3.454 3.200 -3.687 1.00 4.22 C ATOM 42 O SER A 3 3.268 2.573 -4.728 1.00 74.12 O ATOM 43 CB SER A 3 5.290 2.499 -2.123 1.00 72.52 C ATOM 44 OG SER A 3 5.594 2.357 -0.738 1.00 74.21 O ATOM 0 H SER A 3 3.418 0.643 -3.354 1.00 23.43 H new ATOM 0 HA SER A 3 3.286 2.968 -1.556 1.00 11.23 H new ATOM 0 HB2 SER A 3 5.774 1.700 -2.684 1.00 72.52 H new ATOM 0 HB3 SER A 3 5.701 3.440 -2.490 1.00 72.52 H new ATOM 0 HG SER A 3 6.566 2.382 -0.612 1.00 74.21 H new ATOM 50 N THR A 4 3.394 4.520 -3.584 1.00 60.34 N ATOM 51 CA THR A 4 3.091 5.347 -4.740 1.00 63.01 C ATOM 52 C THR A 4 4.301 5.423 -5.673 1.00 5.10 C ATOM 53 O THR A 4 4.158 5.718 -6.859 1.00 3.05 O ATOM 54 CB THR A 4 2.627 6.714 -4.234 1.00 40.22 C ATOM 55 OG1 THR A 4 3.468 6.974 -3.114 1.00 21.34 O ATOM 56 CG2 THR A 4 1.218 6.671 -3.640 1.00 54.02 C ATOM 0 H THR A 4 3.550 5.037 -2.719 1.00 60.34 H new ATOM 0 HA THR A 4 2.287 4.915 -5.336 1.00 63.01 H new ATOM 0 HB THR A 4 2.654 7.432 -5.054 1.00 40.22 H new ATOM 0 HG1 THR A 4 3.236 7.843 -2.726 1.00 21.34 H new ATOM 0 HG21 THR A 4 0.938 7.667 -3.296 1.00 54.02 H new ATOM 0 HG22 THR A 4 0.512 6.338 -4.401 1.00 54.02 H new ATOM 0 HG23 THR A 4 1.199 5.978 -2.799 1.00 54.02 H new ATOM 64 N PHE A 5 5.466 5.152 -5.102 1.00 41.15 N ATOM 65 CA PHE A 5 6.701 5.186 -5.868 1.00 54.22 C ATOM 66 C PHE A 5 6.552 4.418 -7.183 1.00 54.32 C ATOM 67 O PHE A 5 7.238 4.714 -8.160 1.00 52.11 O ATOM 68 CB PHE A 5 7.775 4.509 -5.015 1.00 0.30 C ATOM 69 CG PHE A 5 7.744 2.981 -5.073 1.00 30.40 C ATOM 70 CD1 PHE A 5 6.591 2.313 -4.800 1.00 1.03 C ATOM 71 CD2 PHE A 5 8.869 2.289 -5.398 1.00 4.51 C ATOM 72 CE1 PHE A 5 6.562 0.894 -4.854 1.00 2.34 C ATOM 73 CE2 PHE A 5 8.841 0.871 -5.452 1.00 35.12 C ATOM 74 CZ PHE A 5 7.688 0.203 -5.179 1.00 14.24 C ATOM 0 H PHE A 5 5.581 4.908 -4.118 1.00 41.15 H new ATOM 0 HA PHE A 5 6.962 6.217 -6.108 1.00 54.22 H new ATOM 0 HB2 PHE A 5 8.756 4.855 -5.342 1.00 0.30 H new ATOM 0 HB3 PHE A 5 7.655 4.826 -3.979 1.00 0.30 H new ATOM 0 HD1 PHE A 5 5.697 2.862 -4.542 1.00 1.03 H new ATOM 0 HD2 PHE A 5 9.785 2.819 -5.615 1.00 4.51 H new ATOM 0 HE1 PHE A 5 5.646 0.364 -4.637 1.00 2.34 H new ATOM 0 HE2 PHE A 5 9.735 0.323 -5.710 1.00 35.12 H new ATOM 0 HZ PHE A 5 7.666 -0.876 -5.220 1.00 14.24 H new ATOM 84 N LYS A 6 5.651 3.447 -7.165 1.00 54.03 N ATOM 85 CA LYS A 6 5.403 2.634 -8.344 1.00 52.41 C ATOM 86 C LYS A 6 4.777 3.505 -9.436 1.00 64.20 C ATOM 87 O LYS A 6 5.113 3.368 -10.612 1.00 13.44 O ATOM 88 CB LYS A 6 4.565 1.406 -7.982 1.00 4.22 C ATOM 89 CG LYS A 6 3.125 1.803 -7.653 1.00 33.53 C ATOM 90 CD LYS A 6 2.250 1.783 -8.908 1.00 43.22 C ATOM 91 CE LYS A 6 0.794 1.475 -8.557 1.00 74.50 C ATOM 92 NZ LYS A 6 0.216 2.563 -7.737 1.00 42.01 N ATOM 0 H LYS A 6 5.084 3.205 -6.353 1.00 54.03 H new ATOM 0 HA LYS A 6 6.340 2.246 -8.743 1.00 52.41 H new ATOM 0 HB2 LYS A 6 4.571 0.700 -8.812 1.00 4.22 H new ATOM 0 HB3 LYS A 6 5.010 0.897 -7.127 1.00 4.22 H new ATOM 0 HG2 LYS A 6 2.716 1.119 -6.910 1.00 33.53 H new ATOM 0 HG3 LYS A 6 3.111 2.799 -7.211 1.00 33.53 H new ATOM 0 HD2 LYS A 6 2.310 2.747 -9.413 1.00 43.22 H new ATOM 0 HD3 LYS A 6 2.626 1.034 -9.606 1.00 43.22 H new ATOM 0 HE2 LYS A 6 0.212 1.352 -9.470 1.00 74.50 H new ATOM 0 HE3 LYS A 6 0.737 0.532 -8.013 1.00 74.50 H new ATOM 0 HZ1 LYS A 6 -0.815 2.587 -7.869 1.00 42.01 H new ATOM 0 HZ2 LYS A 6 0.433 2.394 -6.734 1.00 42.01 H new ATOM 0 HZ3 LYS A 6 0.624 3.473 -8.031 1.00 42.01 H new ATOM 105 N SER A 7 3.879 4.380 -9.008 1.00 45.25 N ATOM 106 CA SER A 7 3.204 5.273 -9.935 1.00 62.31 C ATOM 107 C SER A 7 3.817 6.672 -9.854 1.00 14.53 C ATOM 108 O SER A 7 4.445 7.135 -10.804 1.00 42.23 O ATOM 109 CB SER A 7 1.703 5.333 -9.647 1.00 32.32 C ATOM 110 OG SER A 7 1.059 6.371 -10.381 1.00 62.41 O ATOM 0 H SER A 7 3.603 4.490 -8.032 1.00 45.25 H new ATOM 0 HA SER A 7 3.337 4.883 -10.944 1.00 62.31 H new ATOM 0 HB2 SER A 7 1.247 4.375 -9.898 1.00 32.32 H new ATOM 0 HB3 SER A 7 1.545 5.492 -8.580 1.00 32.32 H new ATOM 0 HG SER A 7 0.102 6.375 -10.171 1.00 62.41 H new ATOM 116 N GLU A 8 3.612 7.308 -8.709 1.00 74.51 N ATOM 117 CA GLU A 8 4.136 8.645 -8.491 1.00 53.11 C ATOM 118 C GLU A 8 5.532 8.775 -9.104 1.00 74.31 C ATOM 119 O GLU A 8 5.891 9.832 -9.621 1.00 32.52 O ATOM 120 CB GLU A 8 4.157 8.989 -7.001 1.00 4.34 C ATOM 121 CG GLU A 8 2.830 9.611 -6.562 1.00 41.51 C ATOM 122 CD GLU A 8 1.646 8.885 -7.203 1.00 32.22 C ATOM 123 OE1 GLU A 8 1.237 7.819 -6.719 1.00 23.30 O ATOM 124 OE2 GLU A 8 1.145 9.467 -8.240 1.00 25.52 O ATOM 0 H GLU A 8 3.090 6.921 -7.923 1.00 74.51 H new ATOM 0 HA GLU A 8 3.476 9.358 -8.985 1.00 53.11 H new ATOM 0 HB2 GLU A 8 4.350 8.088 -6.419 1.00 4.34 H new ATOM 0 HB3 GLU A 8 4.973 9.682 -6.796 1.00 4.34 H new ATOM 0 HG2 GLU A 8 2.745 9.566 -5.476 1.00 41.51 H new ATOM 0 HG3 GLU A 8 2.809 10.665 -6.840 1.00 41.51 H new ATOM 132 N TYR A 9 6.281 7.685 -9.026 1.00 73.32 N ATOM 133 CA TYR A 9 7.629 7.663 -9.567 1.00 3.31 C ATOM 134 C TYR A 9 7.781 6.563 -10.620 1.00 15.34 C ATOM 135 O TYR A 9 8.093 5.421 -10.288 1.00 70.33 O ATOM 136 CB TYR A 9 8.552 7.353 -8.387 1.00 10.34 C ATOM 137 CG TYR A 9 9.055 8.595 -7.648 1.00 25.24 C ATOM 138 CD1 TYR A 9 9.489 9.694 -8.361 1.00 13.11 C ATOM 139 CD2 TYR A 9 9.077 8.615 -6.268 1.00 15.51 C ATOM 140 CE1 TYR A 9 9.963 10.863 -7.666 1.00 35.45 C ATOM 141 CE2 TYR A 9 9.550 9.784 -5.572 1.00 64.05 C ATOM 142 CZ TYR A 9 9.970 10.850 -6.306 1.00 30.14 C ATOM 143 OH TYR A 9 10.418 11.953 -5.649 1.00 15.52 O ATOM 0 H TYR A 9 5.980 6.810 -8.596 1.00 73.32 H new ATOM 0 HA TYR A 9 7.865 8.614 -10.045 1.00 3.31 H new ATOM 0 HB2 TYR A 9 8.021 6.713 -7.682 1.00 10.34 H new ATOM 0 HB3 TYR A 9 9.410 6.786 -8.749 1.00 10.34 H new ATOM 0 HD1 TYR A 9 9.473 9.677 -9.441 1.00 13.11 H new ATOM 0 HD2 TYR A 9 8.740 7.754 -5.710 1.00 15.51 H new ATOM 0 HE1 TYR A 9 10.305 11.730 -8.212 1.00 35.45 H new ATOM 0 HE2 TYR A 9 9.571 9.814 -4.493 1.00 64.05 H new ATOM 0 HH TYR A 9 10.365 11.802 -4.682 1.00 15.52 H new ATOM 153 N PRO A 10 7.546 6.957 -11.900 1.00 73.11 N ATOM 154 CA PRO A 10 7.653 6.018 -13.003 1.00 74.54 C ATOM 155 C PRO A 10 9.117 5.717 -13.328 1.00 23.02 C ATOM 156 O PRO A 10 10.019 6.367 -12.802 1.00 24.15 O ATOM 157 CB PRO A 10 6.912 6.678 -14.155 1.00 64.42 C ATOM 158 CG PRO A 10 6.820 8.153 -13.801 1.00 24.13 C ATOM 159 CD PRO A 10 7.174 8.302 -12.330 1.00 34.32 C ATOM 0 HA PRO A 10 7.217 5.046 -12.771 1.00 74.54 H new ATOM 0 HB2 PRO A 10 7.445 6.535 -15.095 1.00 64.42 H new ATOM 0 HB3 PRO A 10 5.920 6.244 -14.281 1.00 64.42 H new ATOM 0 HG2 PRO A 10 7.502 8.737 -14.419 1.00 24.13 H new ATOM 0 HG3 PRO A 10 5.815 8.530 -13.992 1.00 24.13 H new ATOM 0 HD2 PRO A 10 7.996 9.004 -12.190 1.00 34.32 H new ATOM 0 HD3 PRO A 10 6.329 8.682 -11.756 1.00 34.32 H new ATOM 167 N PHE A 11 9.308 4.732 -14.193 1.00 24.22 N ATOM 168 CA PHE A 11 10.648 4.337 -14.594 1.00 2.33 C ATOM 169 C PHE A 11 11.345 5.463 -15.360 1.00 2.52 C ATOM 170 O PHE A 11 12.262 6.098 -14.840 1.00 70.11 O ATOM 171 CB PHE A 11 10.501 3.125 -15.515 1.00 75.02 C ATOM 172 CG PHE A 11 11.755 2.807 -16.331 1.00 41.24 C ATOM 173 CD1 PHE A 11 12.979 3.184 -15.872 1.00 34.41 C ATOM 174 CD2 PHE A 11 11.647 2.149 -17.516 1.00 72.52 C ATOM 175 CE1 PHE A 11 14.143 2.889 -16.629 1.00 71.24 C ATOM 176 CE2 PHE A 11 12.811 1.854 -18.274 1.00 21.32 C ATOM 177 CZ PHE A 11 14.035 2.230 -17.814 1.00 53.13 C ATOM 0 H PHE A 11 8.557 4.195 -14.628 1.00 24.22 H new ATOM 0 HA PHE A 11 11.247 4.108 -13.713 1.00 2.33 H new ATOM 0 HB2 PHE A 11 10.241 2.254 -14.913 1.00 75.02 H new ATOM 0 HB3 PHE A 11 9.670 3.300 -16.198 1.00 75.02 H new ATOM 0 HD1 PHE A 11 13.065 3.708 -14.931 1.00 34.41 H new ATOM 0 HD2 PHE A 11 10.675 1.851 -17.881 1.00 72.52 H new ATOM 0 HE1 PHE A 11 15.115 3.188 -16.264 1.00 71.24 H new ATOM 0 HE2 PHE A 11 12.725 1.331 -19.215 1.00 21.32 H new ATOM 0 HZ PHE A 11 14.921 2.005 -18.390 1.00 53.13 H new ATOM 187 N GLU A 12 10.884 5.677 -16.583 1.00 51.43 N ATOM 188 CA GLU A 12 11.452 6.716 -17.426 1.00 74.02 C ATOM 189 C GLU A 12 11.778 7.957 -16.593 1.00 32.23 C ATOM 190 O GLU A 12 12.744 8.663 -16.877 1.00 12.43 O ATOM 191 CB GLU A 12 10.508 7.063 -18.580 1.00 21.35 C ATOM 192 CG GLU A 12 10.648 6.057 -19.724 1.00 43.10 C ATOM 193 CD GLU A 12 9.702 6.402 -20.876 1.00 20.21 C ATOM 194 OE1 GLU A 12 10.026 7.262 -21.708 1.00 62.23 O ATOM 195 OE2 GLU A 12 8.595 5.740 -20.889 1.00 31.32 O ATOM 0 H GLU A 12 10.124 5.149 -17.011 1.00 51.43 H new ATOM 0 HA GLU A 12 12.379 6.339 -17.858 1.00 74.02 H new ATOM 0 HB2 GLU A 12 9.478 7.071 -18.222 1.00 21.35 H new ATOM 0 HB3 GLU A 12 10.727 8.067 -18.945 1.00 21.35 H new ATOM 0 HG2 GLU A 12 11.677 6.050 -20.083 1.00 43.10 H new ATOM 0 HG3 GLU A 12 10.431 5.053 -19.359 1.00 43.10 H new ATOM 203 N LYS A 13 10.954 8.184 -15.581 1.00 14.14 N ATOM 204 CA LYS A 13 11.142 9.327 -14.704 1.00 3.41 C ATOM 205 C LYS A 13 12.376 9.096 -13.829 1.00 63.25 C ATOM 206 O LYS A 13 13.403 9.748 -14.013 1.00 60.24 O ATOM 207 CB LYS A 13 9.867 9.607 -13.906 1.00 41.22 C ATOM 208 CG LYS A 13 10.152 10.538 -12.726 1.00 12.31 C ATOM 209 CD LYS A 13 10.411 11.968 -13.205 1.00 60.15 C ATOM 210 CE LYS A 13 11.896 12.186 -13.500 1.00 43.53 C ATOM 211 NZ LYS A 13 12.269 13.600 -13.266 1.00 32.54 N ATOM 0 H LYS A 13 10.154 7.595 -15.349 1.00 14.14 H new ATOM 0 HA LYS A 13 11.329 10.228 -15.289 1.00 3.41 H new ATOM 0 HB2 LYS A 13 9.118 10.058 -14.557 1.00 41.22 H new ATOM 0 HB3 LYS A 13 9.449 8.669 -13.541 1.00 41.22 H new ATOM 0 HG2 LYS A 13 9.306 10.529 -12.038 1.00 12.31 H new ATOM 0 HG3 LYS A 13 11.017 10.174 -12.172 1.00 12.31 H new ATOM 0 HD2 LYS A 13 9.825 12.167 -14.102 1.00 60.15 H new ATOM 0 HD3 LYS A 13 10.080 12.676 -12.445 1.00 60.15 H new ATOM 0 HE2 LYS A 13 12.498 11.535 -12.866 1.00 43.53 H new ATOM 0 HE3 LYS A 13 12.112 11.913 -14.533 1.00 43.53 H new ATOM 0 HZ1 LYS A 13 13.280 13.731 -13.471 1.00 32.54 H new ATOM 0 HZ2 LYS A 13 11.707 14.215 -13.889 1.00 32.54 H new ATOM 0 HZ3 LYS A 13 12.082 13.849 -12.274 1.00 32.54 H new ATOM 224 N ARG A 14 12.235 8.165 -12.897 1.00 1.42 N ATOM 225 CA ARG A 14 13.326 7.840 -11.993 1.00 74.35 C ATOM 226 C ARG A 14 14.653 7.809 -12.753 1.00 43.43 C ATOM 227 O ARG A 14 15.617 8.461 -12.353 1.00 54.21 O ATOM 228 CB ARG A 14 13.099 6.484 -11.323 1.00 33.54 C ATOM 229 CG ARG A 14 13.851 6.397 -9.993 1.00 62.43 C ATOM 230 CD ARG A 14 13.921 4.951 -9.497 1.00 4.25 C ATOM 231 NE ARG A 14 12.731 4.641 -8.673 1.00 65.42 N ATOM 232 CZ ARG A 14 11.541 4.255 -9.179 1.00 72.21 C ATOM 233 NH1 ARG A 14 11.371 4.129 -10.512 1.00 64.35 N ATOM 234 NH2 ARG A 14 10.545 4.003 -8.350 1.00 73.24 N ATOM 0 H ARG A 14 11.382 7.625 -12.748 1.00 1.42 H new ATOM 0 HA ARG A 14 13.361 8.612 -11.224 1.00 74.35 H new ATOM 0 HB2 ARG A 14 12.033 6.332 -11.153 1.00 33.54 H new ATOM 0 HB3 ARG A 14 13.433 5.686 -11.986 1.00 33.54 H new ATOM 0 HG2 ARG A 14 14.859 6.793 -10.115 1.00 62.43 H new ATOM 0 HG3 ARG A 14 13.353 7.017 -9.248 1.00 62.43 H new ATOM 0 HD2 ARG A 14 13.974 4.269 -10.346 1.00 4.25 H new ATOM 0 HD3 ARG A 14 14.828 4.802 -8.911 1.00 4.25 H new ATOM 0 HE ARG A 14 12.816 4.724 -7.660 1.00 65.42 H new ATOM 0 HH11 ARG A 14 12.146 4.326 -11.146 1.00 64.35 H new ATOM 0 HH12 ARG A 14 10.468 3.837 -10.886 1.00 64.35 H new ATOM 0 HH21 ARG A 14 10.682 4.101 -7.344 1.00 73.24 H new ATOM 0 HH22 ARG A 14 9.639 3.710 -8.716 1.00 73.24 H new ATOM 247 N LYS A 15 14.662 7.046 -13.836 1.00 35.31 N ATOM 248 CA LYS A 15 15.855 6.922 -14.655 1.00 61.13 C ATOM 249 C LYS A 15 16.492 8.302 -14.833 1.00 74.35 C ATOM 250 O LYS A 15 17.668 8.490 -14.529 1.00 44.52 O ATOM 251 CB LYS A 15 15.528 6.220 -15.975 1.00 45.21 C ATOM 252 CG LYS A 15 16.574 6.548 -17.043 1.00 73.45 C ATOM 253 CD LYS A 15 16.477 5.575 -18.221 1.00 5.32 C ATOM 254 CE LYS A 15 17.001 6.218 -19.507 1.00 15.11 C ATOM 255 NZ LYS A 15 15.915 6.946 -20.201 1.00 0.51 N ATOM 0 H LYS A 15 13.861 6.507 -14.165 1.00 35.31 H new ATOM 0 HA LYS A 15 16.593 6.291 -14.160 1.00 61.13 H new ATOM 0 HB2 LYS A 15 15.489 5.142 -15.818 1.00 45.21 H new ATOM 0 HB3 LYS A 15 14.541 6.528 -16.320 1.00 45.21 H new ATOM 0 HG2 LYS A 15 16.430 7.569 -17.397 1.00 73.45 H new ATOM 0 HG3 LYS A 15 17.572 6.499 -16.607 1.00 73.45 H new ATOM 0 HD2 LYS A 15 17.049 4.674 -18.001 1.00 5.32 H new ATOM 0 HD3 LYS A 15 15.440 5.268 -18.360 1.00 5.32 H new ATOM 0 HE2 LYS A 15 17.815 6.904 -19.272 1.00 15.11 H new ATOM 0 HE3 LYS A 15 17.410 5.451 -20.164 1.00 15.11 H new ATOM 0 HZ1 LYS A 15 16.287 7.377 -21.072 1.00 0.51 H new ATOM 0 HZ2 LYS A 15 15.151 6.283 -20.442 1.00 0.51 H new ATOM 0 HZ3 LYS A 15 15.543 7.691 -19.578 1.00 0.51 H new ATOM 268 N ALA A 16 15.685 9.231 -15.326 1.00 25.22 N ATOM 269 CA ALA A 16 16.155 10.588 -15.548 1.00 61.21 C ATOM 270 C ALA A 16 16.770 11.128 -14.256 1.00 2.14 C ATOM 271 O ALA A 16 17.863 11.692 -14.272 1.00 63.05 O ATOM 272 CB ALA A 16 14.997 11.453 -16.049 1.00 42.31 C ATOM 0 H ALA A 16 14.710 9.071 -15.578 1.00 25.22 H new ATOM 0 HA ALA A 16 16.930 10.606 -16.314 1.00 61.21 H new ATOM 0 HB1 ALA A 16 15.349 12.471 -16.216 1.00 42.31 H new ATOM 0 HB2 ALA A 16 14.615 11.043 -16.984 1.00 42.31 H new ATOM 0 HB3 ALA A 16 14.201 11.462 -15.305 1.00 42.31 H new ATOM 278 N GLU A 17 16.041 10.937 -13.166 1.00 23.11 N ATOM 279 CA GLU A 17 16.501 11.398 -11.867 1.00 65.01 C ATOM 280 C GLU A 17 17.952 10.970 -11.636 1.00 2.55 C ATOM 281 O GLU A 17 18.781 11.777 -11.217 1.00 24.10 O ATOM 282 CB GLU A 17 15.593 10.883 -10.749 1.00 0.00 C ATOM 283 CG GLU A 17 15.641 11.810 -9.533 1.00 25.25 C ATOM 284 CD GLU A 17 14.415 11.608 -8.640 1.00 63.50 C ATOM 285 OE1 GLU A 17 13.705 10.601 -8.782 1.00 13.25 O ATOM 286 OE2 GLU A 17 14.212 12.541 -7.774 1.00 13.35 O ATOM 0 H GLU A 17 15.135 10.469 -13.156 1.00 23.11 H new ATOM 0 HA GLU A 17 16.457 12.487 -11.853 1.00 65.01 H new ATOM 0 HB2 GLU A 17 14.568 10.808 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.902 9.879 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.548 11.617 -8.960 1.00 25.25 H new ATOM 0 HG3 GLU A 17 15.687 12.848 -9.864 1.00 25.25 H new ATOM 294 N SER A 18 18.214 9.703 -11.918 1.00 23.11 N ATOM 295 CA SER A 18 19.550 9.159 -11.746 1.00 25.44 C ATOM 296 C SER A 18 20.510 9.799 -12.750 1.00 41.43 C ATOM 297 O SER A 18 21.624 10.182 -12.394 1.00 35.23 O ATOM 298 CB SER A 18 19.551 7.637 -11.908 1.00 14.23 C ATOM 299 OG SER A 18 20.641 7.027 -11.222 1.00 15.34 O ATOM 0 H SER A 18 17.524 9.037 -12.265 1.00 23.11 H new ATOM 0 HA SER A 18 19.885 9.390 -10.735 1.00 25.44 H new ATOM 0 HB2 SER A 18 18.612 7.232 -11.530 1.00 14.23 H new ATOM 0 HB3 SER A 18 19.603 7.385 -12.967 1.00 14.23 H new ATOM 0 HG SER A 18 20.605 6.056 -11.349 1.00 15.34 H new ATOM 305 N GLU A 19 20.043 9.897 -13.986 1.00 64.04 N ATOM 306 CA GLU A 19 20.846 10.485 -15.045 1.00 63.13 C ATOM 307 C GLU A 19 21.350 11.867 -14.624 1.00 71.04 C ATOM 308 O GLU A 19 22.393 12.321 -15.093 1.00 31.42 O ATOM 309 CB GLU A 19 20.056 10.564 -16.353 1.00 11.21 C ATOM 310 CG GLU A 19 19.669 9.168 -16.845 1.00 42.24 C ATOM 311 CD GLU A 19 20.749 8.592 -17.763 1.00 61.04 C ATOM 312 OE1 GLU A 19 21.918 8.998 -17.677 1.00 33.34 O ATOM 313 OE2 GLU A 19 20.338 7.690 -18.589 1.00 44.02 O ATOM 0 H GLU A 19 19.119 9.579 -14.278 1.00 64.04 H new ATOM 0 HA GLU A 19 21.709 9.843 -15.219 1.00 63.13 H new ATOM 0 HB2 GLU A 19 19.158 11.163 -16.204 1.00 11.21 H new ATOM 0 HB3 GLU A 19 20.653 11.069 -17.113 1.00 11.21 H new ATOM 0 HG2 GLU A 19 19.521 8.506 -15.992 1.00 42.24 H new ATOM 0 HG3 GLU A 19 18.720 9.217 -17.379 1.00 42.24 H new ATOM 321 N ARG A 20 20.585 12.498 -13.745 1.00 65.31 N ATOM 322 CA ARG A 20 20.941 13.819 -13.256 1.00 22.11 C ATOM 323 C ARG A 20 22.012 13.712 -12.168 1.00 60.44 C ATOM 324 O ARG A 20 22.917 14.542 -12.100 1.00 23.44 O ATOM 325 CB ARG A 20 19.719 14.544 -12.689 1.00 30.32 C ATOM 326 CG ARG A 20 18.751 14.942 -13.805 1.00 30.12 C ATOM 327 CD ARG A 20 17.528 15.666 -13.238 1.00 22.15 C ATOM 328 NE ARG A 20 16.751 16.283 -14.335 1.00 71.14 N ATOM 329 CZ ARG A 20 15.782 17.205 -14.152 1.00 30.34 C ATOM 330 NH1 ARG A 20 15.463 17.625 -12.909 1.00 33.30 N ATOM 331 NH2 ARG A 20 15.151 17.689 -15.205 1.00 43.22 N ATOM 0 H ARG A 20 19.720 12.119 -13.359 1.00 65.31 H new ATOM 0 HA ARG A 20 21.330 14.390 -14.099 1.00 22.11 H new ATOM 0 HB2 ARG A 20 19.209 13.899 -11.973 1.00 30.32 H new ATOM 0 HB3 ARG A 20 20.039 15.433 -12.146 1.00 30.32 H new ATOM 0 HG2 ARG A 20 19.261 15.587 -14.520 1.00 30.12 H new ATOM 0 HG3 ARG A 20 18.432 14.053 -14.349 1.00 30.12 H new ATOM 0 HD2 ARG A 20 16.902 14.963 -12.688 1.00 22.15 H new ATOM 0 HD3 ARG A 20 17.845 16.432 -12.530 1.00 22.15 H new ATOM 0 HE ARG A 20 16.961 15.994 -15.290 1.00 71.14 H new ATOM 0 HH11 ARG A 20 15.955 17.245 -12.100 1.00 33.30 H new ATOM 0 HH12 ARG A 20 14.730 18.322 -12.779 1.00 33.30 H new ATOM 0 HH21 ARG A 20 15.398 17.366 -16.140 1.00 43.22 H new ATOM 0 HH22 ARG A 20 14.416 18.386 -15.083 1.00 43.22 H new ATOM 344 N ILE A 21 21.873 12.683 -11.346 1.00 24.55 N ATOM 345 CA ILE A 21 22.818 12.456 -10.265 1.00 13.04 C ATOM 346 C ILE A 21 24.107 11.862 -10.836 1.00 10.24 C ATOM 347 O ILE A 21 25.166 11.957 -10.217 1.00 33.03 O ATOM 348 CB ILE A 21 22.181 11.602 -9.167 1.00 34.22 C ATOM 349 CG1 ILE A 21 21.279 12.449 -8.267 1.00 1.15 C ATOM 350 CG2 ILE A 21 23.248 10.852 -8.367 1.00 12.23 C ATOM 351 CD1 ILE A 21 20.447 11.565 -7.335 1.00 63.24 C ATOM 0 H ILE A 21 21.121 11.997 -11.406 1.00 24.55 H new ATOM 0 HA ILE A 21 23.085 13.399 -9.789 1.00 13.04 H new ATOM 0 HB ILE A 21 21.548 10.852 -9.642 1.00 34.22 H new ATOM 0 HG12 ILE A 21 21.888 13.133 -7.677 1.00 1.15 H new ATOM 0 HG13 ILE A 21 20.617 13.060 -8.881 1.00 1.15 H new ATOM 0 HG21 ILE A 21 22.768 10.253 -7.593 1.00 12.23 H new ATOM 0 HG22 ILE A 21 23.811 10.200 -9.034 1.00 12.23 H new ATOM 0 HG23 ILE A 21 23.926 11.569 -7.903 1.00 12.23 H new ATOM 0 HD11 ILE A 21 19.815 12.192 -6.706 1.00 63.24 H new ATOM 0 HD12 ILE A 21 19.821 10.899 -7.928 1.00 63.24 H new ATOM 0 HD13 ILE A 21 21.112 10.973 -6.705 1.00 63.24 H new ATOM 363 N ALA A 22 23.975 11.263 -12.010 1.00 23.21 N ATOM 364 CA ALA A 22 25.117 10.654 -12.671 1.00 74.43 C ATOM 365 C ALA A 22 25.922 11.737 -13.391 1.00 52.31 C ATOM 366 O ALA A 22 27.121 11.579 -13.616 1.00 33.32 O ATOM 367 CB ALA A 22 24.631 9.559 -13.624 1.00 14.15 C ATOM 0 H ALA A 22 23.095 11.186 -12.521 1.00 23.21 H new ATOM 0 HA ALA A 22 25.776 10.183 -11.942 1.00 74.43 H new ATOM 0 HB1 ALA A 22 25.487 9.102 -14.120 1.00 14.15 H new ATOM 0 HB2 ALA A 22 24.090 8.799 -13.060 1.00 14.15 H new ATOM 0 HB3 ALA A 22 23.969 9.995 -14.372 1.00 14.15 H new ATOM 373 N ASP A 23 25.230 12.815 -13.733 1.00 24.34 N ATOM 374 CA ASP A 23 25.866 13.924 -14.422 1.00 41.43 C ATOM 375 C ASP A 23 26.316 14.967 -13.396 1.00 71.53 C ATOM 376 O ASP A 23 27.120 15.844 -13.709 1.00 35.23 O ATOM 377 CB ASP A 23 24.893 14.602 -15.389 1.00 40.10 C ATOM 378 CG ASP A 23 25.546 15.278 -16.596 1.00 64.13 C ATOM 379 OD1 ASP A 23 25.781 16.495 -16.597 1.00 51.51 O ATOM 380 OD2 ASP A 23 25.821 14.490 -17.580 1.00 21.42 O ATOM 0 H ASP A 23 24.236 12.943 -13.545 1.00 24.34 H new ATOM 0 HA ASP A 23 26.715 13.531 -14.981 1.00 41.43 H new ATOM 0 HB2 ASP A 23 24.184 13.857 -15.749 1.00 40.10 H new ATOM 0 HB3 ASP A 23 24.320 15.349 -14.840 1.00 40.10 H new ATOM 386 N ARG A 24 25.778 14.836 -12.193 1.00 31.34 N ATOM 387 CA ARG A 24 26.114 15.755 -11.119 1.00 12.22 C ATOM 388 C ARG A 24 27.138 15.119 -10.177 1.00 11.45 C ATOM 389 O ARG A 24 28.268 15.593 -10.071 1.00 40.53 O ATOM 390 CB ARG A 24 24.869 16.146 -10.319 1.00 44.53 C ATOM 391 CG ARG A 24 25.044 17.522 -9.672 1.00 33.21 C ATOM 392 CD ARG A 24 26.461 17.694 -9.123 1.00 24.53 C ATOM 393 NE ARG A 24 26.558 18.956 -8.356 1.00 73.21 N ATOM 394 CZ ARG A 24 26.632 20.180 -8.920 1.00 51.11 C ATOM 395 NH1 ARG A 24 26.621 20.318 -10.263 1.00 64.41 N ATOM 396 NH2 ARG A 24 26.715 21.241 -8.139 1.00 31.22 N ATOM 0 H ARG A 24 25.112 14.107 -11.938 1.00 31.34 H new ATOM 0 HA ARG A 24 26.538 16.652 -11.571 1.00 12.22 H new ATOM 0 HB2 ARG A 24 23.999 16.157 -10.975 1.00 44.53 H new ATOM 0 HB3 ARG A 24 24.678 15.399 -9.548 1.00 44.53 H new ATOM 0 HG2 ARG A 24 24.837 18.301 -10.405 1.00 33.21 H new ATOM 0 HG3 ARG A 24 24.321 17.643 -8.866 1.00 33.21 H new ATOM 0 HD2 ARG A 24 26.717 16.850 -8.483 1.00 24.53 H new ATOM 0 HD3 ARG A 24 27.179 17.701 -9.943 1.00 24.53 H new ATOM 0 HE ARG A 24 26.570 18.897 -7.338 1.00 73.21 H new ATOM 0 HH11 ARG A 24 26.556 19.493 -10.860 1.00 64.41 H new ATOM 0 HH12 ARG A 24 26.677 21.247 -10.681 1.00 64.41 H new ATOM 0 HH21 ARG A 24 26.723 21.129 -7.125 1.00 31.22 H new ATOM 0 HH22 ARG A 24 26.772 22.173 -8.549 1.00 31.22 H new ATOM 409 N PHE A 25 26.706 14.056 -9.515 1.00 73.33 N ATOM 410 CA PHE A 25 27.571 13.350 -8.585 1.00 51.13 C ATOM 411 C PHE A 25 27.752 11.890 -9.005 1.00 62.00 C ATOM 412 O PHE A 25 27.101 10.999 -8.462 1.00 72.14 O ATOM 413 CB PHE A 25 26.887 13.394 -7.217 1.00 43.03 C ATOM 414 CG PHE A 25 26.198 14.725 -6.908 1.00 65.13 C ATOM 415 CD1 PHE A 25 26.915 15.756 -6.385 1.00 73.11 C ATOM 416 CD2 PHE A 25 24.870 14.877 -7.157 1.00 21.32 C ATOM 417 CE1 PHE A 25 26.275 16.991 -6.098 1.00 64.13 C ATOM 418 CE2 PHE A 25 24.231 16.112 -6.870 1.00 33.21 C ATOM 419 CZ PHE A 25 24.947 17.143 -6.347 1.00 30.13 C ATOM 0 H PHE A 25 25.768 13.666 -9.604 1.00 73.33 H new ATOM 0 HA PHE A 25 28.555 13.818 -8.563 1.00 51.13 H new ATOM 0 HB2 PHE A 25 26.149 12.594 -7.166 1.00 43.03 H new ATOM 0 HB3 PHE A 25 27.629 13.193 -6.444 1.00 43.03 H new ATOM 0 HD1 PHE A 25 27.970 15.636 -6.188 1.00 73.11 H new ATOM 0 HD2 PHE A 25 24.301 14.058 -7.573 1.00 21.32 H new ATOM 0 HE1 PHE A 25 26.843 17.810 -5.682 1.00 64.13 H new ATOM 0 HE2 PHE A 25 23.176 16.233 -7.067 1.00 33.21 H new ATOM 0 HZ PHE A 25 24.461 18.083 -6.129 1.00 30.13 H new ATOM 429 N PRO A 26 28.664 11.685 -9.993 1.00 60.10 N ATOM 430 CA PRO A 26 28.939 10.348 -10.492 1.00 3.32 C ATOM 431 C PRO A 26 29.788 9.555 -9.496 1.00 44.51 C ATOM 432 O PRO A 26 29.986 8.353 -9.663 1.00 22.01 O ATOM 433 CB PRO A 26 29.634 10.562 -11.827 1.00 32.22 C ATOM 434 CG PRO A 26 30.137 11.996 -11.810 1.00 41.02 C ATOM 435 CD PRO A 26 29.454 12.716 -10.659 1.00 2.30 C ATOM 0 HA PRO A 26 28.035 9.752 -10.619 1.00 3.32 H new ATOM 0 HB2 PRO A 26 30.458 9.860 -11.955 1.00 32.22 H new ATOM 0 HB3 PRO A 26 28.945 10.399 -12.656 1.00 32.22 H new ATOM 0 HG2 PRO A 26 31.220 12.019 -11.686 1.00 41.02 H new ATOM 0 HG3 PRO A 26 29.914 12.490 -12.756 1.00 41.02 H new ATOM 0 HD2 PRO A 26 30.183 13.157 -9.979 1.00 2.30 H new ATOM 0 HD3 PRO A 26 28.822 13.528 -11.019 1.00 2.30 H new ATOM 443 N ASN A 27 30.267 10.261 -8.482 1.00 44.33 N ATOM 444 CA ASN A 27 31.091 9.638 -7.460 1.00 14.54 C ATOM 445 C ASN A 27 30.211 9.253 -6.268 1.00 63.54 C ATOM 446 O ASN A 27 30.717 8.985 -5.180 1.00 23.13 O ATOM 447 CB ASN A 27 32.169 10.601 -6.959 1.00 0.22 C ATOM 448 CG ASN A 27 32.926 11.233 -8.129 1.00 21.03 C ATOM 449 OD1 ASN A 27 32.940 12.439 -8.314 1.00 70.31 O ATOM 450 ND2 ASN A 27 33.553 10.354 -8.905 1.00 62.11 N ATOM 0 H ASN A 27 30.100 11.258 -8.346 1.00 44.33 H new ATOM 0 HA ASN A 27 31.567 8.761 -7.898 1.00 14.54 H new ATOM 0 HB2 ASN A 27 31.710 11.383 -6.353 1.00 0.22 H new ATOM 0 HB3 ASN A 27 32.868 10.067 -6.315 1.00 0.22 H new ATOM 0 HD21 ASN A 27 34.087 10.676 -9.712 1.00 62.11 H new ATOM 0 HD22 ASN A 27 33.500 9.358 -8.693 1.00 62.11 H new ATOM 457 N ARG A 28 28.910 9.236 -6.515 1.00 53.14 N ATOM 458 CA ARG A 28 27.955 8.887 -5.477 1.00 2.43 C ATOM 459 C ARG A 28 27.223 7.595 -5.841 1.00 74.34 C ATOM 460 O ARG A 28 27.476 7.009 -6.893 1.00 53.01 O ATOM 461 CB ARG A 28 26.931 10.005 -5.272 1.00 2.51 C ATOM 462 CG ARG A 28 27.544 11.176 -4.500 1.00 21.42 C ATOM 463 CD ARG A 28 27.737 10.818 -3.025 1.00 11.23 C ATOM 464 NE ARG A 28 28.147 12.019 -2.263 1.00 24.45 N ATOM 465 CZ ARG A 28 27.347 13.083 -2.038 1.00 23.54 C ATOM 466 NH1 ARG A 28 26.085 13.104 -2.516 1.00 30.33 N ATOM 467 NH2 ARG A 28 27.818 14.102 -1.343 1.00 71.24 N ATOM 0 H ARG A 28 28.494 9.458 -7.419 1.00 53.14 H new ATOM 0 HA ARG A 28 28.511 8.744 -4.550 1.00 2.43 H new ATOM 0 HB2 ARG A 28 26.568 10.353 -6.239 1.00 2.51 H new ATOM 0 HB3 ARG A 28 26.069 9.618 -4.729 1.00 2.51 H new ATOM 0 HG2 ARG A 28 28.504 11.445 -4.941 1.00 21.42 H new ATOM 0 HG3 ARG A 28 26.898 12.050 -4.584 1.00 21.42 H new ATOM 0 HD2 ARG A 28 26.810 10.416 -2.615 1.00 11.23 H new ATOM 0 HD3 ARG A 28 28.493 10.039 -2.927 1.00 11.23 H new ATOM 0 HE ARG A 28 29.094 12.044 -1.884 1.00 24.45 H new ATOM 0 HH11 ARG A 28 25.729 12.312 -3.052 1.00 30.33 H new ATOM 0 HH12 ARG A 28 25.487 13.912 -2.342 1.00 30.33 H new ATOM 0 HH21 ARG A 28 28.773 14.077 -0.985 1.00 71.24 H new ATOM 0 HH22 ARG A 28 27.227 14.914 -1.164 1.00 71.24 H new ATOM 480 N ILE A 29 26.329 7.187 -4.952 1.00 50.40 N ATOM 481 CA ILE A 29 25.558 5.975 -5.167 1.00 71.21 C ATOM 482 C ILE A 29 24.196 6.114 -4.484 1.00 71.21 C ATOM 483 O ILE A 29 24.045 5.762 -3.315 1.00 51.12 O ATOM 484 CB ILE A 29 26.351 4.748 -4.713 1.00 62.22 C ATOM 485 CG1 ILE A 29 27.786 4.796 -5.242 1.00 50.04 C ATOM 486 CG2 ILE A 29 25.637 3.455 -5.111 1.00 75.23 C ATOM 487 CD1 ILE A 29 28.555 3.531 -4.857 1.00 5.15 C ATOM 0 H ILE A 29 26.122 7.675 -4.081 1.00 50.40 H new ATOM 0 HA ILE A 29 25.368 5.828 -6.230 1.00 71.21 H new ATOM 0 HB ILE A 29 26.408 4.762 -3.625 1.00 62.22 H new ATOM 0 HG12 ILE A 29 27.774 4.903 -6.327 1.00 50.04 H new ATOM 0 HG13 ILE A 29 28.296 5.672 -4.841 1.00 50.04 H new ATOM 0 HG21 ILE A 29 26.222 2.598 -4.776 1.00 75.23 H new ATOM 0 HG22 ILE A 29 24.652 3.425 -4.646 1.00 75.23 H new ATOM 0 HG23 ILE A 29 25.528 3.418 -6.195 1.00 75.23 H new ATOM 0 HD11 ILE A 29 29.572 3.591 -5.245 1.00 5.15 H new ATOM 0 HD12 ILE A 29 28.586 3.440 -3.771 1.00 5.15 H new ATOM 0 HD13 ILE A 29 28.056 2.659 -5.280 1.00 5.15 H new ATOM 499 N PRO A 30 23.213 6.641 -5.263 1.00 5.02 N ATOM 500 CA PRO A 30 21.869 6.831 -4.745 1.00 61.14 C ATOM 501 C PRO A 30 21.125 5.497 -4.649 1.00 41.44 C ATOM 502 O PRO A 30 20.521 5.048 -5.622 1.00 13.20 O ATOM 503 CB PRO A 30 21.213 7.810 -5.705 1.00 74.43 C ATOM 504 CG PRO A 30 22.048 7.772 -6.975 1.00 12.02 C ATOM 505 CD PRO A 30 23.356 7.069 -6.651 1.00 71.15 C ATOM 0 HA PRO A 30 21.861 7.225 -3.729 1.00 61.14 H new ATOM 0 HB2 PRO A 30 20.181 7.526 -5.908 1.00 74.43 H new ATOM 0 HB3 PRO A 30 21.190 8.815 -5.283 1.00 74.43 H new ATOM 0 HG2 PRO A 30 21.516 7.243 -7.766 1.00 12.02 H new ATOM 0 HG3 PRO A 30 22.237 8.782 -7.338 1.00 12.02 H new ATOM 0 HD2 PRO A 30 23.523 6.219 -7.312 1.00 71.15 H new ATOM 0 HD3 PRO A 30 24.207 7.740 -6.773 1.00 71.15 H new ATOM 513 N VAL A 31 21.193 4.902 -3.468 1.00 25.12 N ATOM 514 CA VAL A 31 20.534 3.629 -3.232 1.00 72.11 C ATOM 515 C VAL A 31 19.126 3.882 -2.690 1.00 34.13 C ATOM 516 O VAL A 31 18.948 4.656 -1.750 1.00 62.23 O ATOM 517 CB VAL A 31 21.386 2.762 -2.302 1.00 53.24 C ATOM 518 CG1 VAL A 31 20.528 1.712 -1.594 1.00 23.05 C ATOM 519 CG2 VAL A 31 22.537 2.105 -3.067 1.00 54.41 C ATOM 0 H VAL A 31 21.695 5.278 -2.663 1.00 25.12 H new ATOM 0 HA VAL A 31 20.429 3.075 -4.165 1.00 72.11 H new ATOM 0 HB VAL A 31 21.818 3.411 -1.540 1.00 53.24 H new ATOM 0 HG11 VAL A 31 21.157 1.109 -0.939 1.00 23.05 H new ATOM 0 HG12 VAL A 31 19.760 2.209 -1.002 1.00 23.05 H new ATOM 0 HG13 VAL A 31 20.055 1.068 -2.336 1.00 23.05 H new ATOM 0 HG21 VAL A 31 23.127 1.495 -2.383 1.00 54.41 H new ATOM 0 HG22 VAL A 31 22.134 1.475 -3.860 1.00 54.41 H new ATOM 0 HG23 VAL A 31 23.171 2.877 -3.503 1.00 54.41 H new ATOM 529 N ILE A 32 18.160 3.215 -3.305 1.00 24.41 N ATOM 530 CA ILE A 32 16.774 3.357 -2.896 1.00 15.43 C ATOM 531 C ILE A 32 16.396 2.195 -1.975 1.00 12.52 C ATOM 532 O ILE A 32 15.970 1.141 -2.443 1.00 65.41 O ATOM 533 CB ILE A 32 15.865 3.493 -4.119 1.00 61.23 C ATOM 534 CG1 ILE A 32 16.137 4.802 -4.862 1.00 44.33 C ATOM 535 CG2 ILE A 32 14.393 3.352 -3.727 1.00 72.44 C ATOM 536 CD1 ILE A 32 15.292 5.943 -4.291 1.00 64.21 C ATOM 0 H ILE A 32 18.311 2.574 -4.084 1.00 24.41 H new ATOM 0 HA ILE A 32 16.639 4.275 -2.324 1.00 15.43 H new ATOM 0 HB ILE A 32 16.094 2.679 -4.807 1.00 61.23 H new ATOM 0 HG12 ILE A 32 17.195 5.055 -4.786 1.00 44.33 H new ATOM 0 HG13 ILE A 32 15.915 4.676 -5.922 1.00 44.33 H new ATOM 0 HG21 ILE A 32 13.769 3.453 -4.615 1.00 72.44 H new ATOM 0 HG22 ILE A 32 14.229 2.373 -3.277 1.00 72.44 H new ATOM 0 HG23 ILE A 32 14.131 4.130 -3.009 1.00 72.44 H new ATOM 0 HD11 ILE A 32 15.505 6.862 -4.837 1.00 64.21 H new ATOM 0 HD12 ILE A 32 14.235 5.698 -4.391 1.00 64.21 H new ATOM 0 HD13 ILE A 32 15.534 6.083 -3.237 1.00 64.21 H new ATOM 548 N CYS A 33 16.565 2.428 -0.682 1.00 11.25 N ATOM 549 CA CYS A 33 16.247 1.414 0.309 1.00 20.03 C ATOM 550 C CYS A 33 14.779 1.577 0.710 1.00 64.24 C ATOM 551 O CYS A 33 14.300 2.696 0.882 1.00 11.30 O ATOM 552 CB CYS A 33 17.181 1.493 1.519 1.00 73.42 C ATOM 553 SG CYS A 33 17.460 -0.181 2.204 1.00 70.34 S ATOM 0 H CYS A 33 16.918 3.304 -0.297 1.00 11.25 H new ATOM 0 HA CYS A 33 16.398 0.423 -0.120 1.00 20.03 H new ATOM 0 HB2 CYS A 33 18.132 1.938 1.226 1.00 73.42 H new ATOM 0 HB3 CYS A 33 16.747 2.140 2.282 1.00 73.42 H new ATOM 0 HG CYS A 33 16.864 -0.284 3.355 1.00 70.34 H new ATOM 559 N GLU A 34 14.107 0.443 0.846 1.00 41.32 N ATOM 560 CA GLU A 34 12.704 0.446 1.223 1.00 53.33 C ATOM 561 C GLU A 34 12.471 -0.491 2.410 1.00 51.34 C ATOM 562 O GLU A 34 13.071 -1.562 2.486 1.00 15.14 O ATOM 563 CB GLU A 34 11.817 0.060 0.037 1.00 11.23 C ATOM 564 CG GLU A 34 12.339 -1.204 -0.649 1.00 52.42 C ATOM 565 CD GLU A 34 11.193 -2.000 -1.277 1.00 13.15 C ATOM 566 OE1 GLU A 34 10.523 -2.776 -0.579 1.00 74.02 O ATOM 567 OE2 GLU A 34 11.007 -1.789 -2.536 1.00 25.04 O ATOM 0 H GLU A 34 14.508 -0.484 0.702 1.00 41.32 H new ATOM 0 HA GLU A 34 12.431 1.457 1.525 1.00 53.33 H new ATOM 0 HB2 GLU A 34 10.795 -0.104 0.380 1.00 11.23 H new ATOM 0 HB3 GLU A 34 11.785 0.880 -0.680 1.00 11.23 H new ATOM 0 HG2 GLU A 34 13.062 -0.932 -1.418 1.00 52.42 H new ATOM 0 HG3 GLU A 34 12.864 -1.826 0.077 1.00 52.42 H new ATOM 575 N LYS A 35 11.599 -0.053 3.306 1.00 73.02 N ATOM 576 CA LYS A 35 11.279 -0.839 4.485 1.00 23.23 C ATOM 577 C LYS A 35 10.340 -1.981 4.093 1.00 71.24 C ATOM 578 O LYS A 35 9.470 -1.809 3.240 1.00 10.02 O ATOM 579 CB LYS A 35 10.726 0.058 5.594 1.00 41.50 C ATOM 580 CG LYS A 35 9.996 -0.767 6.655 1.00 74.32 C ATOM 581 CD LYS A 35 8.518 -0.937 6.296 1.00 61.32 C ATOM 582 CE LYS A 35 7.656 -1.044 7.556 1.00 44.34 C ATOM 583 NZ LYS A 35 6.381 -1.732 7.255 1.00 62.13 N ATOM 0 H LYS A 35 11.104 0.836 3.239 1.00 73.02 H new ATOM 0 HA LYS A 35 12.181 -1.294 4.895 1.00 23.23 H new ATOM 0 HB2 LYS A 35 11.541 0.613 6.058 1.00 41.50 H new ATOM 0 HB3 LYS A 35 10.043 0.792 5.166 1.00 41.50 H new ATOM 0 HG2 LYS A 35 10.467 -1.746 6.747 1.00 74.32 H new ATOM 0 HG3 LYS A 35 10.084 -0.278 7.625 1.00 74.32 H new ATOM 0 HD2 LYS A 35 8.186 -0.090 5.695 1.00 61.32 H new ATOM 0 HD3 LYS A 35 8.389 -1.831 5.686 1.00 61.32 H new ATOM 0 HE2 LYS A 35 8.197 -1.590 8.329 1.00 44.34 H new ATOM 0 HE3 LYS A 35 7.454 -0.048 7.951 1.00 44.34 H new ATOM 0 HZ1 LYS A 35 5.630 -1.354 7.867 1.00 62.13 H new ATOM 0 HZ2 LYS A 35 6.128 -1.575 6.258 1.00 62.13 H new ATOM 0 HZ3 LYS A 35 6.488 -2.752 7.428 1.00 62.13 H new ATOM 596 N ALA A 36 10.547 -3.122 4.733 1.00 24.31 N ATOM 597 CA ALA A 36 9.730 -4.292 4.461 1.00 32.45 C ATOM 598 C ALA A 36 8.435 -4.204 5.272 1.00 24.23 C ATOM 599 O ALA A 36 8.464 -3.892 6.462 1.00 53.44 O ATOM 600 CB ALA A 36 10.530 -5.558 4.776 1.00 74.32 C ATOM 0 H ALA A 36 11.269 -3.261 5.440 1.00 24.31 H new ATOM 0 HA ALA A 36 9.457 -4.333 3.407 1.00 32.45 H new ATOM 0 HB1 ALA A 36 9.917 -6.436 4.572 1.00 74.32 H new ATOM 0 HB2 ALA A 36 11.424 -5.587 4.154 1.00 74.32 H new ATOM 0 HB3 ALA A 36 10.819 -5.554 5.827 1.00 74.32 H new ATOM 606 N GLU A 37 7.331 -4.485 4.596 1.00 21.44 N ATOM 607 CA GLU A 37 6.029 -4.442 5.239 1.00 13.22 C ATOM 608 C GLU A 37 5.919 -5.546 6.293 1.00 44.22 C ATOM 609 O GLU A 37 5.475 -5.298 7.413 1.00 65.11 O ATOM 610 CB GLU A 37 4.904 -4.555 4.208 1.00 42.11 C ATOM 611 CG GLU A 37 4.880 -5.947 3.573 1.00 1.14 C ATOM 612 CD GLU A 37 4.004 -5.963 2.319 1.00 13.34 C ATOM 613 OE1 GLU A 37 4.515 -5.789 1.203 1.00 2.53 O ATOM 614 OE2 GLU A 37 2.748 -6.166 2.534 1.00 21.13 O ATOM 0 H GLU A 37 7.311 -4.743 3.609 1.00 21.44 H new ATOM 0 HA GLU A 37 5.925 -3.479 5.738 1.00 13.22 H new ATOM 0 HB2 GLU A 37 3.946 -4.353 4.687 1.00 42.11 H new ATOM 0 HB3 GLU A 37 5.039 -3.800 3.433 1.00 42.11 H new ATOM 0 HG2 GLU A 37 5.895 -6.251 3.316 1.00 1.14 H new ATOM 0 HG3 GLU A 37 4.503 -6.673 4.294 1.00 1.14 H new ATOM 622 N LYS A 38 6.332 -6.741 5.896 1.00 11.14 N ATOM 623 CA LYS A 38 6.286 -7.884 6.793 1.00 50.33 C ATOM 624 C LYS A 38 6.953 -7.513 8.119 1.00 35.31 C ATOM 625 O LYS A 38 6.610 -8.063 9.165 1.00 52.32 O ATOM 626 CB LYS A 38 6.895 -9.116 6.121 1.00 24.02 C ATOM 627 CG LYS A 38 5.952 -9.684 5.059 1.00 64.24 C ATOM 628 CD LYS A 38 4.947 -10.655 5.681 1.00 71.23 C ATOM 629 CE LYS A 38 5.287 -12.103 5.320 1.00 40.53 C ATOM 630 NZ LYS A 38 5.991 -12.765 6.441 1.00 50.53 N ATOM 0 H LYS A 38 6.700 -6.943 4.966 1.00 11.14 H new ATOM 0 HA LYS A 38 5.254 -8.150 7.019 1.00 50.33 H new ATOM 0 HB2 LYS A 38 7.847 -8.851 5.662 1.00 24.02 H new ATOM 0 HB3 LYS A 38 7.104 -9.878 6.872 1.00 24.02 H new ATOM 0 HG2 LYS A 38 5.420 -8.870 4.567 1.00 64.24 H new ATOM 0 HG3 LYS A 38 6.531 -10.197 4.291 1.00 64.24 H new ATOM 0 HD2 LYS A 38 4.945 -10.537 6.765 1.00 71.23 H new ATOM 0 HD3 LYS A 38 3.942 -10.416 5.333 1.00 71.23 H new ATOM 0 HE2 LYS A 38 4.374 -12.649 5.083 1.00 40.53 H new ATOM 0 HE3 LYS A 38 5.912 -12.124 4.427 1.00 40.53 H new ATOM 0 HZ1 LYS A 38 6.214 -13.747 6.179 1.00 50.53 H new ATOM 0 HZ2 LYS A 38 6.872 -12.253 6.648 1.00 50.53 H new ATOM 0 HZ3 LYS A 38 5.382 -12.761 7.284 1.00 50.53 H new ATOM 643 N SER A 39 7.893 -6.584 8.033 1.00 51.12 N ATOM 644 CA SER A 39 8.611 -6.134 9.213 1.00 14.43 C ATOM 645 C SER A 39 7.646 -5.446 10.182 1.00 51.05 C ATOM 646 O SER A 39 6.442 -5.399 9.935 1.00 12.01 O ATOM 647 CB SER A 39 9.750 -5.185 8.836 1.00 23.14 C ATOM 648 OG SER A 39 10.837 -5.264 9.755 1.00 32.51 O ATOM 0 H SER A 39 8.174 -6.130 7.164 1.00 51.12 H new ATOM 0 HA SER A 39 9.047 -7.006 9.701 1.00 14.43 H new ATOM 0 HB2 SER A 39 10.105 -5.424 7.834 1.00 23.14 H new ATOM 0 HB3 SER A 39 9.375 -4.162 8.805 1.00 23.14 H new ATOM 0 HG SER A 39 10.962 -6.195 10.035 1.00 32.51 H new ATOM 654 N ASP A 40 8.211 -4.930 11.263 1.00 43.42 N ATOM 655 CA ASP A 40 7.416 -4.247 12.269 1.00 5.33 C ATOM 656 C ASP A 40 8.098 -2.929 12.644 1.00 62.14 C ATOM 657 O ASP A 40 7.775 -2.328 13.667 1.00 40.53 O ATOM 658 CB ASP A 40 7.291 -5.091 13.539 1.00 62.43 C ATOM 659 CG ASP A 40 6.198 -6.161 13.498 1.00 24.51 C ATOM 660 OD1 ASP A 40 6.341 -7.195 12.829 1.00 63.34 O ATOM 661 OD2 ASP A 40 5.150 -5.897 14.202 1.00 51.25 O ATOM 0 H ASP A 40 9.210 -4.971 11.464 1.00 43.42 H new ATOM 0 HA ASP A 40 6.424 -4.072 11.852 1.00 5.33 H new ATOM 0 HB2 ASP A 40 8.248 -5.577 13.730 1.00 62.43 H new ATOM 0 HB3 ASP A 40 7.097 -4.427 14.381 1.00 62.43 H new ATOM 667 N ILE A 41 9.029 -2.519 11.795 1.00 61.35 N ATOM 668 CA ILE A 41 9.759 -1.284 12.023 1.00 22.03 C ATOM 669 C ILE A 41 8.945 -0.108 11.481 1.00 0.41 C ATOM 670 O ILE A 41 8.129 -0.277 10.577 1.00 71.23 O ATOM 671 CB ILE A 41 11.169 -1.378 11.437 1.00 61.53 C ATOM 672 CG1 ILE A 41 11.192 -0.899 9.984 1.00 53.01 C ATOM 673 CG2 ILE A 41 11.730 -2.795 11.582 1.00 55.24 C ATOM 674 CD1 ILE A 41 12.444 -1.399 9.261 1.00 71.12 C ATOM 0 H ILE A 41 9.294 -3.021 10.948 1.00 61.35 H new ATOM 0 HA ILE A 41 9.894 -1.114 13.091 1.00 22.03 H new ATOM 0 HB ILE A 41 11.820 -0.714 12.006 1.00 61.53 H new ATOM 0 HG12 ILE A 41 10.302 -1.256 9.466 1.00 53.01 H new ATOM 0 HG13 ILE A 41 11.162 0.190 9.956 1.00 53.01 H new ATOM 0 HG21 ILE A 41 12.733 -2.834 11.158 1.00 55.24 H new ATOM 0 HG22 ILE A 41 11.772 -3.064 12.638 1.00 55.24 H new ATOM 0 HG23 ILE A 41 11.085 -3.497 11.054 1.00 55.24 H new ATOM 0 HD11 ILE A 41 12.435 -1.044 8.230 1.00 71.12 H new ATOM 0 HD12 ILE A 41 13.332 -1.021 9.767 1.00 71.12 H new ATOM 0 HD13 ILE A 41 12.458 -2.489 9.269 1.00 71.12 H new ATOM 686 N PRO A 42 9.202 1.090 12.072 1.00 10.11 N ATOM 687 CA PRO A 42 8.502 2.294 11.658 1.00 44.30 C ATOM 688 C PRO A 42 9.034 2.803 10.316 1.00 14.24 C ATOM 689 O PRO A 42 10.243 2.936 10.134 1.00 53.34 O ATOM 690 CB PRO A 42 8.714 3.282 12.794 1.00 54.23 C ATOM 691 CG PRO A 42 9.903 2.761 13.584 1.00 41.13 C ATOM 692 CD PRO A 42 10.162 1.329 13.146 1.00 33.41 C ATOM 0 HA PRO A 42 7.439 2.125 11.487 1.00 44.30 H new ATOM 0 HB2 PRO A 42 8.909 4.283 12.409 1.00 54.23 H new ATOM 0 HB3 PRO A 42 7.827 3.350 13.423 1.00 54.23 H new ATOM 0 HG2 PRO A 42 10.782 3.380 13.404 1.00 41.13 H new ATOM 0 HG3 PRO A 42 9.698 2.802 14.654 1.00 41.13 H new ATOM 0 HD2 PRO A 42 11.187 1.201 12.797 1.00 33.41 H new ATOM 0 HD3 PRO A 42 10.016 0.630 13.970 1.00 33.41 H new ATOM 700 N GLU A 43 8.104 3.074 9.412 1.00 33.03 N ATOM 701 CA GLU A 43 8.463 3.565 8.093 1.00 1.40 C ATOM 702 C GLU A 43 9.149 4.928 8.203 1.00 5.41 C ATOM 703 O GLU A 43 9.179 5.528 9.277 1.00 60.51 O ATOM 704 CB GLU A 43 7.235 3.642 7.183 1.00 25.32 C ATOM 705 CG GLU A 43 7.647 3.696 5.711 1.00 51.35 C ATOM 706 CD GLU A 43 6.546 3.129 4.812 1.00 11.12 C ATOM 707 OE1 GLU A 43 6.659 1.990 4.337 1.00 64.43 O ATOM 708 OE2 GLU A 43 5.544 3.917 4.614 1.00 33.05 O ATOM 0 H GLU A 43 7.102 2.963 9.567 1.00 33.03 H new ATOM 0 HA GLU A 43 9.164 2.862 7.644 1.00 1.40 H new ATOM 0 HB2 GLU A 43 6.596 2.776 7.354 1.00 25.32 H new ATOM 0 HB3 GLU A 43 6.648 4.526 7.433 1.00 25.32 H new ATOM 0 HG2 GLU A 43 7.859 4.727 5.427 1.00 51.35 H new ATOM 0 HG3 GLU A 43 8.567 3.130 5.566 1.00 51.35 H new ATOM 716 N ILE A 44 9.685 5.378 7.078 1.00 55.43 N ATOM 717 CA ILE A 44 10.369 6.660 7.034 1.00 33.43 C ATOM 718 C ILE A 44 9.540 7.648 6.211 1.00 63.44 C ATOM 719 O ILE A 44 8.432 7.329 5.783 1.00 61.42 O ATOM 720 CB ILE A 44 11.801 6.485 6.526 1.00 23.02 C ATOM 721 CG1 ILE A 44 11.863 5.444 5.407 1.00 21.50 C ATOM 722 CG2 ILE A 44 12.753 6.148 7.676 1.00 44.33 C ATOM 723 CD1 ILE A 44 13.288 5.301 4.868 1.00 1.34 C ATOM 0 H ILE A 44 9.660 4.878 6.189 1.00 55.43 H new ATOM 0 HA ILE A 44 10.460 7.078 8.036 1.00 33.43 H new ATOM 0 HB ILE A 44 12.131 7.433 6.102 1.00 23.02 H new ATOM 0 HG12 ILE A 44 11.514 4.482 5.781 1.00 21.50 H new ATOM 0 HG13 ILE A 44 11.192 5.734 4.598 1.00 21.50 H new ATOM 0 HG21 ILE A 44 13.765 6.029 7.288 1.00 44.33 H new ATOM 0 HG22 ILE A 44 12.738 6.955 8.409 1.00 44.33 H new ATOM 0 HG23 ILE A 44 12.435 5.220 8.151 1.00 44.33 H new ATOM 0 HD11 ILE A 44 13.303 4.555 4.074 1.00 1.34 H new ATOM 0 HD12 ILE A 44 13.625 6.259 4.472 1.00 1.34 H new ATOM 0 HD13 ILE A 44 13.952 4.987 5.674 1.00 1.34 H new ATOM 735 N ASP A 45 10.110 8.827 6.013 1.00 12.51 N ATOM 736 CA ASP A 45 9.438 9.864 5.248 1.00 13.23 C ATOM 737 C ASP A 45 9.636 9.599 3.754 1.00 14.24 C ATOM 738 O ASP A 45 8.668 9.539 2.998 1.00 71.54 O ATOM 739 CB ASP A 45 10.017 11.245 5.564 1.00 32.43 C ATOM 740 CG ASP A 45 9.609 11.822 6.921 1.00 33.22 C ATOM 741 OD1 ASP A 45 9.335 11.079 7.875 1.00 21.42 O ATOM 742 OD2 ASP A 45 9.577 13.110 6.978 1.00 11.22 O ATOM 0 H ASP A 45 11.030 9.088 6.369 1.00 12.51 H new ATOM 0 HA ASP A 45 8.381 9.847 5.513 1.00 13.23 H new ATOM 0 HB2 ASP A 45 11.105 11.184 5.524 1.00 32.43 H new ATOM 0 HB3 ASP A 45 9.708 11.939 4.783 1.00 32.43 H new ATOM 748 N LYS A 46 10.896 9.448 3.375 1.00 51.44 N ATOM 749 CA LYS A 46 11.233 9.191 1.985 1.00 41.32 C ATOM 750 C LYS A 46 12.390 8.192 1.922 1.00 41.23 C ATOM 751 O LYS A 46 13.136 8.039 2.888 1.00 73.52 O ATOM 752 CB LYS A 46 11.513 10.504 1.250 1.00 70.32 C ATOM 753 CG LYS A 46 11.131 10.397 -0.228 1.00 21.30 C ATOM 754 CD LYS A 46 9.611 10.415 -0.404 1.00 64.42 C ATOM 755 CE LYS A 46 9.102 11.840 -0.624 1.00 53.33 C ATOM 756 NZ LYS A 46 7.661 11.829 -0.964 1.00 43.03 N ATOM 0 H LYS A 46 11.696 9.499 4.006 1.00 51.44 H new ATOM 0 HA LYS A 46 10.389 8.736 1.466 1.00 41.32 H new ATOM 0 HB2 LYS A 46 10.951 11.313 1.717 1.00 70.32 H new ATOM 0 HB3 LYS A 46 12.570 10.757 1.339 1.00 70.32 H new ATOM 0 HG2 LYS A 46 11.575 11.224 -0.783 1.00 21.30 H new ATOM 0 HG3 LYS A 46 11.538 9.477 -0.647 1.00 21.30 H new ATOM 0 HD2 LYS A 46 9.332 9.790 -1.253 1.00 64.42 H new ATOM 0 HD3 LYS A 46 9.134 9.987 0.478 1.00 64.42 H new ATOM 0 HE2 LYS A 46 9.265 12.434 0.276 1.00 53.33 H new ATOM 0 HE3 LYS A 46 9.667 12.315 -1.426 1.00 53.33 H new ATOM 0 HZ1 LYS A 46 7.331 12.804 -1.110 1.00 43.03 H new ATOM 0 HZ2 LYS A 46 7.514 11.280 -1.835 1.00 43.03 H new ATOM 0 HZ3 LYS A 46 7.124 11.395 -0.186 1.00 43.03 H new ATOM 769 N ARG A 47 12.504 7.539 0.775 1.00 74.33 N ATOM 770 CA ARG A 47 13.557 6.559 0.573 1.00 62.41 C ATOM 771 C ARG A 47 14.615 7.106 -0.387 1.00 51.53 C ATOM 772 O ARG A 47 14.410 7.120 -1.600 1.00 62.41 O ATOM 773 CB ARG A 47 12.994 5.253 0.009 1.00 72.31 C ATOM 774 CG ARG A 47 11.997 4.620 0.982 1.00 23.13 C ATOM 775 CD ARG A 47 11.410 3.331 0.404 1.00 34.24 C ATOM 776 NE ARG A 47 10.387 3.654 -0.616 1.00 23.41 N ATOM 777 CZ ARG A 47 10.658 3.844 -1.925 1.00 11.14 C ATOM 778 NH1 ARG A 47 11.924 3.746 -2.384 1.00 34.30 N ATOM 779 NH2 ARG A 47 9.667 4.128 -2.748 1.00 55.35 N ATOM 0 H ARG A 47 11.884 7.670 -0.024 1.00 74.33 H new ATOM 0 HA ARG A 47 14.011 6.357 1.543 1.00 62.41 H new ATOM 0 HB2 ARG A 47 12.504 5.446 -0.945 1.00 72.31 H new ATOM 0 HB3 ARG A 47 13.809 4.556 -0.187 1.00 72.31 H new ATOM 0 HG2 ARG A 47 12.493 4.405 1.928 1.00 23.13 H new ATOM 0 HG3 ARG A 47 11.194 5.326 1.196 1.00 23.13 H new ATOM 0 HD2 ARG A 47 12.202 2.729 -0.041 1.00 34.24 H new ATOM 0 HD3 ARG A 47 10.965 2.735 1.201 1.00 34.24 H new ATOM 0 HE ARG A 47 9.417 3.738 -0.311 1.00 23.41 H new ATOM 0 HH11 ARG A 47 12.684 3.527 -1.740 1.00 34.30 H new ATOM 0 HH12 ARG A 47 12.120 3.891 -3.374 1.00 34.30 H new ATOM 0 HH21 ARG A 47 8.714 4.201 -2.392 1.00 55.35 H new ATOM 0 HH22 ARG A 47 9.854 4.275 -3.740 1.00 55.35 H new ATOM 792 N LYS A 48 15.723 7.545 0.191 1.00 10.45 N ATOM 793 CA LYS A 48 16.813 8.093 -0.598 1.00 22.12 C ATOM 794 C LYS A 48 18.109 8.021 0.212 1.00 44.11 C ATOM 795 O LYS A 48 18.178 8.536 1.327 1.00 63.11 O ATOM 796 CB LYS A 48 16.468 9.502 -1.083 1.00 3.53 C ATOM 797 CG LYS A 48 17.346 9.904 -2.270 1.00 4.25 C ATOM 798 CD LYS A 48 16.951 11.283 -2.802 1.00 3.11 C ATOM 799 CE LYS A 48 15.432 11.404 -2.936 1.00 41.24 C ATOM 800 NZ LYS A 48 15.078 12.553 -3.800 1.00 62.33 N ATOM 0 H LYS A 48 15.890 7.532 1.197 1.00 10.45 H new ATOM 0 HA LYS A 48 16.967 7.500 -1.500 1.00 22.12 H new ATOM 0 HB2 LYS A 48 15.418 9.544 -1.372 1.00 3.53 H new ATOM 0 HB3 LYS A 48 16.603 10.214 -0.269 1.00 3.53 H new ATOM 0 HG2 LYS A 48 18.393 9.914 -1.966 1.00 4.25 H new ATOM 0 HG3 LYS A 48 17.252 9.163 -3.064 1.00 4.25 H new ATOM 0 HD2 LYS A 48 17.323 12.056 -2.130 1.00 3.11 H new ATOM 0 HD3 LYS A 48 17.420 11.451 -3.772 1.00 3.11 H new ATOM 0 HE2 LYS A 48 15.024 10.485 -3.357 1.00 41.24 H new ATOM 0 HE3 LYS A 48 14.983 11.530 -1.951 1.00 41.24 H new ATOM 0 HZ1 LYS A 48 14.043 12.621 -3.881 1.00 62.33 H new ATOM 0 HZ2 LYS A 48 15.451 13.429 -3.382 1.00 62.33 H new ATOM 0 HZ3 LYS A 48 15.491 12.417 -4.745 1.00 62.33 H new ATOM 813 N TYR A 49 19.105 7.378 -0.381 1.00 11.33 N ATOM 814 CA TYR A 49 20.395 7.233 0.272 1.00 61.55 C ATOM 815 C TYR A 49 21.538 7.533 -0.700 1.00 50.04 C ATOM 816 O TYR A 49 21.944 6.667 -1.473 1.00 61.24 O ATOM 817 CB TYR A 49 20.484 5.769 0.708 1.00 60.33 C ATOM 818 CG TYR A 49 19.411 5.353 1.716 1.00 54.54 C ATOM 819 CD1 TYR A 49 18.175 4.929 1.272 1.00 74.41 C ATOM 820 CD2 TYR A 49 19.678 5.404 3.069 1.00 60.34 C ATOM 821 CE1 TYR A 49 17.164 4.538 2.221 1.00 63.34 C ATOM 822 CE2 TYR A 49 18.668 5.013 4.017 1.00 33.13 C ATOM 823 CZ TYR A 49 17.461 4.599 3.546 1.00 13.15 C ATOM 824 OH TYR A 49 16.506 4.230 4.442 1.00 5.05 O ATOM 0 H TYR A 49 19.044 6.952 -1.306 1.00 11.33 H new ATOM 0 HA TYR A 49 20.481 7.925 1.110 1.00 61.55 H new ATOM 0 HB2 TYR A 49 20.406 5.133 -0.174 1.00 60.33 H new ATOM 0 HB3 TYR A 49 21.467 5.590 1.144 1.00 60.33 H new ATOM 0 HD1 TYR A 49 17.966 4.890 0.213 1.00 74.41 H new ATOM 0 HD2 TYR A 49 20.645 5.737 3.416 1.00 60.34 H new ATOM 0 HE1 TYR A 49 16.193 4.204 1.887 1.00 63.34 H new ATOM 0 HE2 TYR A 49 18.864 5.048 5.078 1.00 33.13 H new ATOM 0 HH TYR A 49 15.927 3.549 4.041 1.00 5.05 H new ATOM 834 N LEU A 50 22.024 8.763 -0.629 1.00 43.44 N ATOM 835 CA LEU A 50 23.112 9.189 -1.493 1.00 64.14 C ATOM 836 C LEU A 50 24.442 9.002 -0.761 1.00 5.54 C ATOM 837 O LEU A 50 24.889 9.894 -0.040 1.00 34.10 O ATOM 838 CB LEU A 50 22.877 10.618 -1.987 1.00 21.11 C ATOM 839 CG LEU A 50 22.167 10.754 -3.335 1.00 71.53 C ATOM 840 CD1 LEU A 50 21.797 12.211 -3.616 1.00 15.23 C ATOM 841 CD2 LEU A 50 23.008 10.149 -4.461 1.00 60.03 C ATOM 0 H LEU A 50 21.684 9.479 0.014 1.00 43.44 H new ATOM 0 HA LEU A 50 23.151 8.570 -2.389 1.00 64.14 H new ATOM 0 HB2 LEU A 50 22.292 11.149 -1.236 1.00 21.11 H new ATOM 0 HB3 LEU A 50 23.842 11.121 -2.055 1.00 21.11 H new ATOM 0 HG LEU A 50 21.236 10.189 -3.289 1.00 71.53 H new ATOM 0 HD11 LEU A 50 21.294 12.279 -4.580 1.00 15.23 H new ATOM 0 HD12 LEU A 50 21.132 12.575 -2.833 1.00 15.23 H new ATOM 0 HD13 LEU A 50 22.702 12.819 -3.635 1.00 15.23 H new ATOM 0 HD21 LEU A 50 22.480 10.259 -5.408 1.00 60.03 H new ATOM 0 HD22 LEU A 50 23.966 10.665 -4.517 1.00 60.03 H new ATOM 0 HD23 LEU A 50 23.177 9.091 -4.261 1.00 60.03 H new ATOM 853 N VAL A 51 25.039 7.838 -0.970 1.00 52.12 N ATOM 854 CA VAL A 51 26.309 7.523 -0.339 1.00 11.34 C ATOM 855 C VAL A 51 27.395 7.420 -1.411 1.00 42.20 C ATOM 856 O VAL A 51 27.100 7.151 -2.574 1.00 44.15 O ATOM 857 CB VAL A 51 26.175 6.251 0.501 1.00 51.12 C ATOM 858 CG1 VAL A 51 25.930 6.589 1.973 1.00 62.32 C ATOM 859 CG2 VAL A 51 25.068 5.348 -0.046 1.00 72.40 C ATOM 0 H VAL A 51 24.666 7.101 -1.568 1.00 52.12 H new ATOM 0 HA VAL A 51 26.603 8.319 0.345 1.00 11.34 H new ATOM 0 HB VAL A 51 27.116 5.705 0.435 1.00 51.12 H new ATOM 0 HG11 VAL A 51 25.839 5.667 2.548 1.00 62.32 H new ATOM 0 HG12 VAL A 51 26.766 7.174 2.356 1.00 62.32 H new ATOM 0 HG13 VAL A 51 25.010 7.167 2.065 1.00 62.32 H new ATOM 0 HG21 VAL A 51 24.993 4.451 0.569 1.00 72.40 H new ATOM 0 HG22 VAL A 51 24.118 5.883 -0.025 1.00 72.40 H new ATOM 0 HG23 VAL A 51 25.302 5.066 -1.072 1.00 72.40 H new ATOM 869 N PRO A 52 28.662 7.646 -0.970 1.00 32.52 N ATOM 870 CA PRO A 52 29.794 7.581 -1.879 1.00 34.34 C ATOM 871 C PRO A 52 30.136 6.130 -2.226 1.00 14.40 C ATOM 872 O PRO A 52 29.565 5.201 -1.657 1.00 23.02 O ATOM 873 CB PRO A 52 30.921 8.300 -1.155 1.00 75.14 C ATOM 874 CG PRO A 52 30.521 8.332 0.311 1.00 40.41 C ATOM 875 CD PRO A 52 29.048 7.967 0.401 1.00 65.31 C ATOM 0 HA PRO A 52 29.590 8.054 -2.840 1.00 34.34 H new ATOM 0 HB2 PRO A 52 31.868 7.777 -1.290 1.00 75.14 H new ATOM 0 HB3 PRO A 52 31.055 9.309 -1.545 1.00 75.14 H new ATOM 0 HG2 PRO A 52 31.124 7.630 0.887 1.00 40.41 H new ATOM 0 HG3 PRO A 52 30.695 9.322 0.733 1.00 40.41 H new ATOM 0 HD2 PRO A 52 28.890 7.118 1.066 1.00 65.31 H new ATOM 0 HD3 PRO A 52 28.458 8.795 0.795 1.00 65.31 H new ATOM 883 N ALA A 53 31.065 5.982 -3.158 1.00 40.34 N ATOM 884 CA ALA A 53 31.490 4.661 -3.588 1.00 71.13 C ATOM 885 C ALA A 53 32.648 4.190 -2.706 1.00 13.02 C ATOM 886 O ALA A 53 33.371 3.263 -3.067 1.00 34.43 O ATOM 887 CB ALA A 53 31.866 4.703 -5.071 1.00 24.33 C ATOM 0 H ALA A 53 31.536 6.755 -3.628 1.00 40.34 H new ATOM 0 HA ALA A 53 30.678 3.942 -3.478 1.00 71.13 H new ATOM 0 HB1 ALA A 53 32.185 3.712 -5.394 1.00 24.33 H new ATOM 0 HB2 ALA A 53 31.001 5.015 -5.657 1.00 24.33 H new ATOM 0 HB3 ALA A 53 32.680 5.412 -5.220 1.00 24.33 H new ATOM 893 N ASP A 54 32.787 4.851 -1.566 1.00 25.20 N ATOM 894 CA ASP A 54 33.845 4.511 -0.629 1.00 40.41 C ATOM 895 C ASP A 54 33.223 3.996 0.671 1.00 42.45 C ATOM 896 O ASP A 54 33.929 3.495 1.544 1.00 32.42 O ATOM 897 CB ASP A 54 34.697 5.737 -0.292 1.00 72.14 C ATOM 898 CG ASP A 54 35.914 5.455 0.590 1.00 4.52 C ATOM 899 OD1 ASP A 54 37.034 5.266 0.092 1.00 21.22 O ATOM 900 OD2 ASP A 54 35.676 5.435 1.858 1.00 73.42 O ATOM 0 H ASP A 54 32.185 5.620 -1.270 1.00 25.20 H new ATOM 0 HA ASP A 54 34.474 3.751 -1.092 1.00 40.41 H new ATOM 0 HB2 ASP A 54 35.039 6.190 -1.223 1.00 72.14 H new ATOM 0 HB3 ASP A 54 34.067 6.472 0.208 1.00 72.14 H new ATOM 906 N LEU A 55 31.909 4.138 0.757 1.00 12.41 N ATOM 907 CA LEU A 55 31.184 3.694 1.935 1.00 30.23 C ATOM 908 C LEU A 55 30.890 2.197 1.813 1.00 11.33 C ATOM 909 O LEU A 55 30.859 1.655 0.710 1.00 53.14 O ATOM 910 CB LEU A 55 29.935 4.550 2.151 1.00 53.42 C ATOM 911 CG LEU A 55 28.993 4.094 3.267 1.00 1.42 C ATOM 912 CD1 LEU A 55 28.300 5.290 3.923 1.00 51.44 C ATOM 913 CD2 LEU A 55 27.989 3.063 2.750 1.00 33.50 C ATOM 0 H LEU A 55 31.327 4.554 0.030 1.00 12.41 H new ATOM 0 HA LEU A 55 31.792 3.829 2.829 1.00 30.23 H new ATOM 0 HB2 LEU A 55 30.251 5.571 2.364 1.00 53.42 H new ATOM 0 HB3 LEU A 55 29.373 4.579 1.218 1.00 53.42 H new ATOM 0 HG LEU A 55 29.589 3.605 4.038 1.00 1.42 H new ATOM 0 HD11 LEU A 55 27.636 4.938 4.713 1.00 51.44 H new ATOM 0 HD12 LEU A 55 29.050 5.956 4.350 1.00 51.44 H new ATOM 0 HD13 LEU A 55 27.719 5.829 3.175 1.00 51.44 H new ATOM 0 HD21 LEU A 55 27.332 2.756 3.563 1.00 33.50 H new ATOM 0 HD22 LEU A 55 27.395 3.504 1.950 1.00 33.50 H new ATOM 0 HD23 LEU A 55 28.524 2.194 2.368 1.00 33.50 H new ATOM 925 N THR A 56 30.682 1.572 2.963 1.00 54.03 N ATOM 926 CA THR A 56 30.391 0.149 2.999 1.00 61.25 C ATOM 927 C THR A 56 28.938 -0.089 3.413 1.00 13.42 C ATOM 928 O THR A 56 28.305 0.788 3.999 1.00 15.21 O ATOM 929 CB THR A 56 31.405 -0.517 3.930 1.00 24.53 C ATOM 930 OG1 THR A 56 30.939 -0.196 5.238 1.00 43.42 O ATOM 931 CG2 THR A 56 32.787 0.136 3.856 1.00 53.33 C ATOM 0 H THR A 56 30.709 2.025 3.876 1.00 54.03 H new ATOM 0 HA THR A 56 30.491 -0.300 2.011 1.00 61.25 H new ATOM 0 HB THR A 56 31.490 -1.574 3.677 1.00 24.53 H new ATOM 0 HG1 THR A 56 31.539 -0.591 5.905 1.00 43.42 H new ATOM 0 HG21 THR A 56 33.468 -0.375 4.536 1.00 53.33 H new ATOM 0 HG22 THR A 56 33.169 0.064 2.838 1.00 53.33 H new ATOM 0 HG23 THR A 56 32.709 1.185 4.141 1.00 53.33 H new ATOM 939 N VAL A 57 28.451 -1.279 3.093 1.00 43.53 N ATOM 940 CA VAL A 57 27.084 -1.642 3.425 1.00 62.34 C ATOM 941 C VAL A 57 26.825 -1.339 4.902 1.00 73.53 C ATOM 942 O VAL A 57 25.834 -0.695 5.242 1.00 33.42 O ATOM 943 CB VAL A 57 26.829 -3.106 3.061 1.00 63.53 C ATOM 944 CG1 VAL A 57 25.474 -3.576 3.593 1.00 11.32 C ATOM 945 CG2 VAL A 57 26.929 -3.321 1.549 1.00 31.01 C ATOM 0 H VAL A 57 28.979 -2.004 2.607 1.00 43.53 H new ATOM 0 HA VAL A 57 26.379 -1.049 2.843 1.00 62.34 H new ATOM 0 HB VAL A 57 27.603 -3.708 3.537 1.00 63.53 H new ATOM 0 HG11 VAL A 57 25.318 -4.620 3.320 1.00 11.32 H new ATOM 0 HG12 VAL A 57 25.455 -3.478 4.678 1.00 11.32 H new ATOM 0 HG13 VAL A 57 24.682 -2.966 3.160 1.00 11.32 H new ATOM 0 HG21 VAL A 57 26.744 -4.370 1.318 1.00 31.01 H new ATOM 0 HG22 VAL A 57 26.188 -2.701 1.044 1.00 31.01 H new ATOM 0 HG23 VAL A 57 27.927 -3.045 1.207 1.00 31.01 H new ATOM 955 N GLY A 58 27.733 -1.818 5.739 1.00 33.43 N ATOM 956 CA GLY A 58 27.615 -1.607 7.172 1.00 15.00 C ATOM 957 C GLY A 58 27.099 -0.199 7.478 1.00 64.11 C ATOM 958 O GLY A 58 26.038 -0.040 8.080 1.00 44.45 O ATOM 0 H GLY A 58 28.554 -2.352 5.453 1.00 33.43 H new ATOM 0 HA2 GLY A 58 26.937 -2.347 7.598 1.00 15.00 H new ATOM 0 HA3 GLY A 58 28.586 -1.754 7.646 1.00 15.00 H new ATOM 962 N GLN A 59 27.875 0.786 7.050 1.00 53.14 N ATOM 963 CA GLN A 59 27.510 2.175 7.270 1.00 1.31 C ATOM 964 C GLN A 59 26.022 2.385 6.984 1.00 51.43 C ATOM 965 O GLN A 59 25.326 3.048 7.752 1.00 72.32 O ATOM 966 CB GLN A 59 28.370 3.110 6.417 1.00 71.11 C ATOM 967 CG GLN A 59 29.849 2.988 6.790 1.00 13.03 C ATOM 968 CD GLN A 59 30.216 3.971 7.904 1.00 34.44 C ATOM 969 OE1 GLN A 59 29.474 4.183 8.849 1.00 14.03 O ATOM 970 NE2 GLN A 59 31.399 4.556 7.742 1.00 73.15 N ATOM 0 H GLN A 59 28.755 0.650 6.552 1.00 53.14 H new ATOM 0 HA GLN A 59 27.696 2.418 8.316 1.00 1.31 H new ATOM 0 HB2 GLN A 59 28.237 2.871 5.362 1.00 71.11 H new ATOM 0 HB3 GLN A 59 28.040 4.140 6.555 1.00 71.11 H new ATOM 0 HG2 GLN A 59 30.063 1.969 7.114 1.00 13.03 H new ATOM 0 HG3 GLN A 59 30.466 3.180 5.912 1.00 13.03 H new ATOM 0 HE21 GLN A 59 31.971 4.333 6.927 1.00 73.15 H new ATOM 0 HE22 GLN A 59 31.735 5.228 8.432 1.00 73.15 H new ATOM 979 N PHE A 60 25.578 1.809 5.876 1.00 10.24 N ATOM 980 CA PHE A 60 24.185 1.925 5.479 1.00 1.01 C ATOM 981 C PHE A 60 23.255 1.447 6.596 1.00 72.23 C ATOM 982 O PHE A 60 22.457 2.223 7.119 1.00 3.32 O ATOM 983 CB PHE A 60 23.994 1.030 4.253 1.00 33.55 C ATOM 984 CG PHE A 60 22.912 1.519 3.288 1.00 31.32 C ATOM 985 CD1 PHE A 60 21.618 1.139 3.467 1.00 24.34 C ATOM 986 CD2 PHE A 60 23.244 2.333 2.251 1.00 11.42 C ATOM 987 CE1 PHE A 60 20.615 1.593 2.572 1.00 74.44 C ATOM 988 CE2 PHE A 60 22.240 2.787 1.355 1.00 0.33 C ATOM 989 CZ PHE A 60 20.946 2.407 1.534 1.00 5.34 C ATOM 0 H PHE A 60 26.158 1.261 5.241 1.00 10.24 H new ATOM 0 HA PHE A 60 23.944 2.966 5.264 1.00 1.01 H new ATOM 0 HB2 PHE A 60 24.940 0.960 3.716 1.00 33.55 H new ATOM 0 HB3 PHE A 60 23.741 0.024 4.586 1.00 33.55 H new ATOM 0 HD1 PHE A 60 21.354 0.492 4.290 1.00 24.34 H new ATOM 0 HD2 PHE A 60 24.271 2.634 2.109 1.00 11.42 H new ATOM 0 HE1 PHE A 60 19.588 1.292 2.715 1.00 74.44 H new ATOM 0 HE2 PHE A 60 22.504 3.434 0.531 1.00 0.33 H new ATOM 0 HZ PHE A 60 20.182 2.751 0.852 1.00 5.34 H new ATOM 999 N VAL A 61 23.388 0.171 6.927 1.00 11.14 N ATOM 1000 CA VAL A 61 22.569 -0.420 7.972 1.00 1.13 C ATOM 1001 C VAL A 61 22.430 0.573 9.128 1.00 54.22 C ATOM 1002 O VAL A 61 21.397 0.614 9.795 1.00 20.41 O ATOM 1003 CB VAL A 61 23.162 -1.762 8.406 1.00 43.01 C ATOM 1004 CG1 VAL A 61 22.220 -2.494 9.363 1.00 72.41 C ATOM 1005 CG2 VAL A 61 23.496 -2.632 7.192 1.00 11.41 C ATOM 0 H VAL A 61 24.050 -0.470 6.490 1.00 11.14 H new ATOM 0 HA VAL A 61 21.566 -0.628 7.599 1.00 1.13 H new ATOM 0 HB VAL A 61 24.091 -1.561 8.940 1.00 43.01 H new ATOM 0 HG11 VAL A 61 22.666 -3.445 9.656 1.00 72.41 H new ATOM 0 HG12 VAL A 61 22.055 -1.882 10.250 1.00 72.41 H new ATOM 0 HG13 VAL A 61 21.267 -2.678 8.866 1.00 72.41 H new ATOM 0 HG21 VAL A 61 23.916 -3.580 7.528 1.00 11.41 H new ATOM 0 HG22 VAL A 61 22.588 -2.820 6.618 1.00 11.41 H new ATOM 0 HG23 VAL A 61 24.222 -2.116 6.563 1.00 11.41 H new ATOM 1015 N TYR A 62 23.484 1.350 9.329 1.00 52.12 N ATOM 1016 CA TYR A 62 23.492 2.340 10.392 1.00 12.41 C ATOM 1017 C TYR A 62 22.686 3.578 9.994 1.00 15.55 C ATOM 1018 O TYR A 62 21.854 4.056 10.765 1.00 41.00 O ATOM 1019 CB TYR A 62 24.956 2.740 10.585 1.00 50.32 C ATOM 1020 CG TYR A 62 25.304 3.156 12.015 1.00 24.14 C ATOM 1021 CD1 TYR A 62 24.981 2.329 13.072 1.00 1.43 C ATOM 1022 CD2 TYR A 62 25.942 4.358 12.249 1.00 30.51 C ATOM 1023 CE1 TYR A 62 25.309 2.721 14.419 1.00 60.43 C ATOM 1024 CE2 TYR A 62 26.270 4.749 13.596 1.00 71.34 C ATOM 1025 CZ TYR A 62 25.937 3.911 14.614 1.00 62.10 C ATOM 1026 OH TYR A 62 26.247 4.280 15.886 1.00 51.43 O ATOM 0 H TYR A 62 24.339 1.314 8.773 1.00 52.12 H new ATOM 0 HA TYR A 62 23.047 1.932 11.300 1.00 12.41 H new ATOM 0 HB2 TYR A 62 25.592 1.903 10.296 1.00 50.32 H new ATOM 0 HB3 TYR A 62 25.189 3.564 9.911 1.00 50.32 H new ATOM 0 HD1 TYR A 62 24.483 1.388 12.889 1.00 1.43 H new ATOM 0 HD2 TYR A 62 26.195 5.005 11.422 1.00 30.51 H new ATOM 0 HE1 TYR A 62 25.062 2.084 15.255 1.00 60.43 H new ATOM 0 HE2 TYR A 62 26.769 5.686 13.793 1.00 71.34 H new ATOM 0 HH TYR A 62 26.694 5.152 15.874 1.00 51.43 H new ATOM 1036 N VAL A 63 22.960 4.063 8.792 1.00 33.21 N ATOM 1037 CA VAL A 63 22.270 5.236 8.283 1.00 41.12 C ATOM 1038 C VAL A 63 20.770 5.094 8.546 1.00 55.55 C ATOM 1039 O VAL A 63 20.159 5.966 9.162 1.00 55.45 O ATOM 1040 CB VAL A 63 22.602 5.437 6.803 1.00 74.53 C ATOM 1041 CG1 VAL A 63 21.479 6.191 6.087 1.00 63.53 C ATOM 1042 CG2 VAL A 63 23.941 6.157 6.633 1.00 30.54 C ATOM 0 H VAL A 63 23.651 3.665 8.156 1.00 33.21 H new ATOM 0 HA VAL A 63 22.607 6.133 8.802 1.00 41.12 H new ATOM 0 HB VAL A 63 22.691 4.453 6.344 1.00 74.53 H new ATOM 0 HG11 VAL A 63 21.740 6.321 5.037 1.00 63.53 H new ATOM 0 HG12 VAL A 63 20.552 5.622 6.163 1.00 63.53 H new ATOM 0 HG13 VAL A 63 21.344 7.168 6.551 1.00 63.53 H new ATOM 0 HG21 VAL A 63 24.152 6.287 5.572 1.00 30.54 H new ATOM 0 HG22 VAL A 63 23.893 7.133 7.115 1.00 30.54 H new ATOM 0 HG23 VAL A 63 24.733 5.565 7.091 1.00 30.54 H new ATOM 1052 N ILE A 64 20.219 3.989 8.065 1.00 11.32 N ATOM 1053 CA ILE A 64 18.801 3.722 8.240 1.00 3.24 C ATOM 1054 C ILE A 64 18.436 3.879 9.718 1.00 61.12 C ATOM 1055 O ILE A 64 17.501 4.602 10.056 1.00 14.33 O ATOM 1056 CB ILE A 64 18.438 2.355 7.659 1.00 71.43 C ATOM 1057 CG1 ILE A 64 18.355 2.413 6.132 1.00 62.50 C ATOM 1058 CG2 ILE A 64 17.148 1.819 8.283 1.00 72.33 C ATOM 1059 CD1 ILE A 64 19.717 2.124 5.498 1.00 63.33 C ATOM 0 H ILE A 64 20.729 3.268 7.554 1.00 11.32 H new ATOM 0 HA ILE A 64 18.205 4.447 7.685 1.00 3.24 H new ATOM 0 HB ILE A 64 19.233 1.654 7.912 1.00 71.43 H new ATOM 0 HG12 ILE A 64 17.623 1.688 5.776 1.00 62.50 H new ATOM 0 HG13 ILE A 64 18.006 3.397 5.820 1.00 62.50 H new ATOM 0 HG21 ILE A 64 16.913 0.846 7.852 1.00 72.33 H new ATOM 0 HG22 ILE A 64 17.280 1.717 9.360 1.00 72.33 H new ATOM 0 HG23 ILE A 64 16.331 2.512 8.082 1.00 72.33 H new ATOM 0 HD11 ILE A 64 19.630 2.171 4.412 1.00 63.33 H new ATOM 0 HD12 ILE A 64 20.441 2.865 5.837 1.00 63.33 H new ATOM 0 HD13 ILE A 64 20.052 1.129 5.792 1.00 63.33 H new ATOM 1071 N ARG A 65 19.193 3.189 10.558 1.00 4.10 N ATOM 1072 CA ARG A 65 18.961 3.243 11.991 1.00 22.44 C ATOM 1073 C ARG A 65 18.752 4.690 12.442 1.00 63.13 C ATOM 1074 O ARG A 65 18.102 4.941 13.455 1.00 32.41 O ATOM 1075 CB ARG A 65 20.137 2.640 12.763 1.00 43.43 C ATOM 1076 CG ARG A 65 19.684 2.102 14.121 1.00 32.12 C ATOM 1077 CD ARG A 65 20.825 1.369 14.829 1.00 3.44 C ATOM 1078 NE ARG A 65 21.310 0.253 13.987 1.00 11.21 N ATOM 1079 CZ ARG A 65 22.547 -0.281 14.076 1.00 13.42 C ATOM 1080 NH1 ARG A 65 23.436 0.197 14.973 1.00 60.33 N ATOM 1081 NH2 ARG A 65 22.873 -1.276 13.273 1.00 25.13 N ATOM 0 H ARG A 65 19.968 2.589 10.274 1.00 4.10 H new ATOM 0 HA ARG A 65 18.065 2.660 12.203 1.00 22.44 H new ATOM 0 HB2 ARG A 65 20.585 1.835 12.180 1.00 43.43 H new ATOM 0 HB3 ARG A 65 20.908 3.397 12.907 1.00 43.43 H new ATOM 0 HG2 ARG A 65 19.334 2.925 14.744 1.00 32.12 H new ATOM 0 HG3 ARG A 65 18.841 1.425 13.985 1.00 32.12 H new ATOM 0 HD2 ARG A 65 21.641 2.062 15.034 1.00 3.44 H new ATOM 0 HD3 ARG A 65 20.482 0.987 15.790 1.00 3.44 H new ATOM 0 HE ARG A 65 20.670 -0.137 13.296 1.00 11.21 H new ATOM 0 HH11 ARG A 65 23.175 0.967 15.589 1.00 60.33 H new ATOM 0 HH12 ARG A 65 24.369 -0.212 15.034 1.00 60.33 H new ATOM 0 HH21 ARG A 65 22.195 -1.630 12.598 1.00 25.13 H new ATOM 0 HH22 ARG A 65 23.803 -1.691 13.327 1.00 25.13 H new ATOM 1094 N LYS A 66 19.316 5.604 11.667 1.00 43.45 N ATOM 1095 CA LYS A 66 19.200 7.020 11.973 1.00 41.00 C ATOM 1096 C LYS A 66 17.853 7.538 11.465 1.00 42.40 C ATOM 1097 O LYS A 66 17.178 8.301 12.154 1.00 13.21 O ATOM 1098 CB LYS A 66 20.403 7.788 11.421 1.00 54.21 C ATOM 1099 CG LYS A 66 21.717 7.139 11.861 1.00 54.52 C ATOM 1100 CD LYS A 66 21.941 7.319 13.364 1.00 75.03 C ATOM 1101 CE LYS A 66 23.400 7.053 13.736 1.00 5.11 C ATOM 1102 NZ LYS A 66 24.298 7.977 13.007 1.00 13.54 N ATOM 0 H LYS A 66 19.855 5.392 10.827 1.00 43.45 H new ATOM 0 HA LYS A 66 19.217 7.180 13.051 1.00 41.00 H new ATOM 0 HB2 LYS A 66 20.353 7.815 10.332 1.00 54.21 H new ATOM 0 HB3 LYS A 66 20.370 8.821 11.767 1.00 54.21 H new ATOM 0 HG2 LYS A 66 21.702 6.077 11.617 1.00 54.52 H new ATOM 0 HG3 LYS A 66 22.547 7.581 11.310 1.00 54.52 H new ATOM 0 HD2 LYS A 66 21.666 8.332 13.658 1.00 75.03 H new ATOM 0 HD3 LYS A 66 21.291 6.640 13.916 1.00 75.03 H new ATOM 0 HE2 LYS A 66 23.536 7.177 14.810 1.00 5.11 H new ATOM 0 HE3 LYS A 66 23.660 6.021 13.499 1.00 5.11 H new ATOM 0 HZ1 LYS A 66 25.169 8.121 13.557 1.00 13.54 H new ATOM 0 HZ2 LYS A 66 24.537 7.570 12.080 1.00 13.54 H new ATOM 0 HZ3 LYS A 66 23.820 8.890 12.871 1.00 13.54 H new ATOM 1115 N ARG A 67 17.503 7.104 10.263 1.00 30.45 N ATOM 1116 CA ARG A 67 16.249 7.514 9.655 1.00 11.22 C ATOM 1117 C ARG A 67 15.068 7.068 10.520 1.00 3.43 C ATOM 1118 O ARG A 67 13.988 7.652 10.451 1.00 50.50 O ATOM 1119 CB ARG A 67 16.097 6.922 8.253 1.00 60.32 C ATOM 1120 CG ARG A 67 16.852 7.760 7.219 1.00 73.22 C ATOM 1121 CD ARG A 67 18.244 7.182 6.955 1.00 12.22 C ATOM 1122 NE ARG A 67 18.955 8.011 5.956 1.00 74.30 N ATOM 1123 CZ ARG A 67 19.557 9.185 6.238 1.00 42.43 C ATOM 1124 NH1 ARG A 67 19.540 9.681 7.493 1.00 32.45 N ATOM 1125 NH2 ARG A 67 20.164 9.843 5.267 1.00 75.33 N ATOM 0 H ARG A 67 18.066 6.472 9.694 1.00 30.45 H new ATOM 0 HA ARG A 67 16.258 8.601 9.579 1.00 11.22 H new ATOM 0 HB2 ARG A 67 16.474 5.899 8.243 1.00 60.32 H new ATOM 0 HB3 ARG A 67 15.041 6.875 7.987 1.00 60.32 H new ATOM 0 HG2 ARG A 67 16.285 7.793 6.288 1.00 73.22 H new ATOM 0 HG3 ARG A 67 16.942 8.787 7.574 1.00 73.22 H new ATOM 0 HD2 ARG A 67 18.814 7.147 7.883 1.00 12.22 H new ATOM 0 HD3 ARG A 67 18.159 6.157 6.595 1.00 12.22 H new ATOM 0 HE ARG A 67 18.992 7.674 4.994 1.00 74.30 H new ATOM 0 HH11 ARG A 67 19.069 9.167 8.238 1.00 32.45 H new ATOM 0 HH12 ARG A 67 19.998 10.569 7.697 1.00 32.45 H new ATOM 0 HH21 ARG A 67 20.173 9.462 4.321 1.00 75.33 H new ATOM 0 HH22 ARG A 67 20.624 10.732 5.463 1.00 75.33 H new ATOM 1138 N ILE A 68 15.314 6.038 11.315 1.00 24.53 N ATOM 1139 CA ILE A 68 14.285 5.507 12.193 1.00 61.21 C ATOM 1140 C ILE A 68 14.719 5.689 13.649 1.00 73.22 C ATOM 1141 O ILE A 68 13.952 5.408 14.568 1.00 14.04 O ATOM 1142 CB ILE A 68 13.962 4.058 11.824 1.00 34.51 C ATOM 1143 CG1 ILE A 68 15.200 3.339 11.285 1.00 5.32 C ATOM 1144 CG2 ILE A 68 12.788 3.990 10.844 1.00 23.14 C ATOM 1145 CD1 ILE A 68 14.940 1.840 11.128 1.00 30.23 C ATOM 0 H ILE A 68 16.211 5.556 11.370 1.00 24.53 H new ATOM 0 HA ILE A 68 13.354 6.059 12.066 1.00 61.21 H new ATOM 0 HB ILE A 68 13.656 3.536 12.731 1.00 34.51 H new ATOM 0 HG12 ILE A 68 15.482 3.765 10.322 1.00 5.32 H new ATOM 0 HG13 ILE A 68 16.040 3.497 11.962 1.00 5.32 H new ATOM 0 HG21 ILE A 68 12.579 2.949 10.598 1.00 23.14 H new ATOM 0 HG22 ILE A 68 11.906 4.439 11.301 1.00 23.14 H new ATOM 0 HG23 ILE A 68 13.042 4.534 9.934 1.00 23.14 H new ATOM 0 HD11 ILE A 68 15.836 1.354 10.743 1.00 30.23 H new ATOM 0 HD12 ILE A 68 14.682 1.412 12.097 1.00 30.23 H new ATOM 0 HD13 ILE A 68 14.116 1.685 10.432 1.00 30.23 H new ATOM 1157 N MET A 69 15.947 6.158 13.813 1.00 71.32 N ATOM 1158 CA MET A 69 16.492 6.380 15.141 1.00 12.52 C ATOM 1159 C MET A 69 16.112 5.240 16.088 1.00 12.31 C ATOM 1160 O MET A 69 15.630 5.481 17.194 1.00 40.41 O ATOM 1161 CB MET A 69 15.960 7.704 15.696 1.00 62.41 C ATOM 1162 CG MET A 69 14.433 7.686 15.786 1.00 51.12 C ATOM 1163 SD MET A 69 13.858 9.119 16.682 1.00 32.52 S ATOM 1164 CE MET A 69 14.570 10.416 15.684 1.00 60.42 C ATOM 0 H MET A 69 16.580 6.390 13.048 1.00 71.32 H new ATOM 0 HA MET A 69 17.579 6.417 15.066 1.00 12.52 H new ATOM 0 HB2 MET A 69 16.384 7.885 16.684 1.00 62.41 H new ATOM 0 HB3 MET A 69 16.281 8.526 15.056 1.00 62.41 H new ATOM 0 HG2 MET A 69 14.001 7.675 14.785 1.00 51.12 H new ATOM 0 HG3 MET A 69 14.101 6.776 16.286 1.00 51.12 H new ATOM 0 HE1 MET A 69 13.937 11.302 15.733 1.00 60.42 H new ATOM 0 HE2 MET A 69 15.564 10.659 16.059 1.00 60.42 H new ATOM 0 HE3 MET A 69 14.644 10.080 14.650 1.00 60.42 H new ATOM 1174 N LEU A 70 16.343 4.023 15.619 1.00 30.25 N ATOM 1175 CA LEU A 70 16.031 2.845 16.411 1.00 71.43 C ATOM 1176 C LEU A 70 16.981 2.773 17.608 1.00 41.13 C ATOM 1177 O LEU A 70 18.056 3.371 17.589 1.00 54.34 O ATOM 1178 CB LEU A 70 16.050 1.590 15.535 1.00 41.45 C ATOM 1179 CG LEU A 70 14.684 1.040 15.122 1.00 75.50 C ATOM 1180 CD1 LEU A 70 13.676 2.172 14.915 1.00 34.25 C ATOM 1181 CD2 LEU A 70 14.803 0.146 13.886 1.00 41.03 C ATOM 0 H LEU A 70 16.742 3.827 14.701 1.00 30.25 H new ATOM 0 HA LEU A 70 15.019 2.912 16.811 1.00 71.43 H new ATOM 0 HB2 LEU A 70 16.619 1.810 14.632 1.00 41.45 H new ATOM 0 HB3 LEU A 70 16.589 0.807 16.068 1.00 41.45 H new ATOM 0 HG LEU A 70 14.307 0.418 15.934 1.00 75.50 H new ATOM 0 HD11 LEU A 70 12.713 1.753 14.622 1.00 34.25 H new ATOM 0 HD12 LEU A 70 13.561 2.731 15.844 1.00 34.25 H new ATOM 0 HD13 LEU A 70 14.035 2.840 14.132 1.00 34.25 H new ATOM 0 HD21 LEU A 70 13.817 -0.232 13.614 1.00 41.03 H new ATOM 0 HD22 LEU A 70 15.212 0.724 13.057 1.00 41.03 H new ATOM 0 HD23 LEU A 70 15.465 -0.692 14.105 1.00 41.03 H new ATOM 1193 N PRO A 71 16.539 2.017 18.648 1.00 61.41 N ATOM 1194 CA PRO A 71 17.338 1.859 19.851 1.00 0.13 C ATOM 1195 C PRO A 71 18.510 0.906 19.611 1.00 61.55 C ATOM 1196 O PRO A 71 18.570 0.237 18.580 1.00 52.44 O ATOM 1197 CB PRO A 71 16.367 1.352 20.905 1.00 53.42 C ATOM 1198 CG PRO A 71 15.172 0.804 20.141 1.00 22.11 C ATOM 1199 CD PRO A 71 15.272 1.294 18.706 1.00 70.33 C ATOM 0 HA PRO A 71 17.803 2.791 20.172 1.00 0.13 H new ATOM 0 HB2 PRO A 71 16.826 0.578 21.519 1.00 53.42 H new ATOM 0 HB3 PRO A 71 16.066 2.155 21.577 1.00 53.42 H new ATOM 0 HG2 PRO A 71 15.166 -0.286 20.173 1.00 22.11 H new ATOM 0 HG3 PRO A 71 14.241 1.142 20.596 1.00 22.11 H new ATOM 0 HD2 PRO A 71 15.258 0.462 18.002 1.00 70.33 H new ATOM 0 HD3 PRO A 71 14.434 1.942 18.450 1.00 70.33 H new ATOM 1207 N PRO A 72 19.437 0.872 20.605 1.00 21.31 N ATOM 1208 CA PRO A 72 20.604 0.011 20.512 1.00 71.04 C ATOM 1209 C PRO A 72 20.229 -1.451 20.764 1.00 12.33 C ATOM 1210 O PRO A 72 21.089 -2.330 20.735 1.00 55.13 O ATOM 1211 CB PRO A 72 21.581 0.560 21.539 1.00 71.34 C ATOM 1212 CG PRO A 72 20.753 1.410 22.488 1.00 2.42 C ATOM 1213 CD PRO A 72 19.399 1.649 21.840 1.00 1.03 C ATOM 0 HA PRO A 72 21.050 0.013 19.517 1.00 71.04 H new ATOM 0 HB2 PRO A 72 22.081 -0.248 22.073 1.00 71.34 H new ATOM 0 HB3 PRO A 72 22.359 1.154 21.060 1.00 71.34 H new ATOM 0 HG2 PRO A 72 20.633 0.905 23.447 1.00 2.42 H new ATOM 0 HG3 PRO A 72 21.253 2.358 22.687 1.00 2.42 H new ATOM 0 HD2 PRO A 72 18.586 1.322 22.489 1.00 1.03 H new ATOM 0 HD3 PRO A 72 19.239 2.708 21.637 1.00 1.03 H new ATOM 1221 N GLU A 73 18.944 -1.665 21.007 1.00 61.10 N ATOM 1222 CA GLU A 73 18.445 -3.005 21.264 1.00 34.15 C ATOM 1223 C GLU A 73 17.895 -3.623 19.977 1.00 31.23 C ATOM 1224 O GLU A 73 18.068 -4.816 19.734 1.00 21.53 O ATOM 1225 CB GLU A 73 17.381 -2.992 22.364 1.00 11.21 C ATOM 1226 CG GLU A 73 16.069 -2.394 21.851 1.00 62.31 C ATOM 1227 CD GLU A 73 14.982 -2.454 22.926 1.00 50.02 C ATOM 1228 OE1 GLU A 73 15.003 -1.655 23.874 1.00 25.52 O ATOM 1229 OE2 GLU A 73 14.091 -3.370 22.750 1.00 70.12 O ATOM 0 H GLU A 73 18.234 -0.933 21.031 1.00 61.10 H new ATOM 0 HA GLU A 73 19.275 -3.620 21.613 1.00 34.15 H new ATOM 0 HB2 GLU A 73 17.207 -4.008 22.719 1.00 11.21 H new ATOM 0 HB3 GLU A 73 17.740 -2.414 23.215 1.00 11.21 H new ATOM 0 HG2 GLU A 73 16.230 -1.359 21.549 1.00 62.31 H new ATOM 0 HG3 GLU A 73 15.740 -2.937 20.965 1.00 62.31 H new ATOM 1237 N LYS A 74 17.243 -2.783 19.187 1.00 64.24 N ATOM 1238 CA LYS A 74 16.667 -3.232 17.930 1.00 23.14 C ATOM 1239 C LYS A 74 17.782 -3.752 17.020 1.00 13.01 C ATOM 1240 O LYS A 74 18.957 -3.695 17.377 1.00 4.34 O ATOM 1241 CB LYS A 74 15.826 -2.121 17.299 1.00 11.24 C ATOM 1242 CG LYS A 74 14.411 -2.107 17.881 1.00 11.02 C ATOM 1243 CD LYS A 74 13.398 -1.610 16.848 1.00 60.13 C ATOM 1244 CE LYS A 74 12.195 -2.552 16.762 1.00 1.43 C ATOM 1245 NZ LYS A 74 10.963 -1.792 16.454 1.00 40.40 N ATOM 0 H LYS A 74 17.101 -1.794 19.392 1.00 64.24 H new ATOM 0 HA LYS A 74 15.981 -4.062 18.100 1.00 23.14 H new ATOM 0 HB2 LYS A 74 16.303 -1.156 17.471 1.00 11.24 H new ATOM 0 HB3 LYS A 74 15.778 -2.265 16.220 1.00 11.24 H new ATOM 0 HG2 LYS A 74 14.139 -3.110 18.209 1.00 11.02 H new ATOM 0 HG3 LYS A 74 14.382 -1.465 18.762 1.00 11.02 H new ATOM 0 HD2 LYS A 74 13.062 -0.608 17.116 1.00 60.13 H new ATOM 0 HD3 LYS A 74 13.876 -1.535 15.871 1.00 60.13 H new ATOM 0 HE2 LYS A 74 12.368 -3.303 15.991 1.00 1.43 H new ATOM 0 HE3 LYS A 74 12.075 -3.085 17.705 1.00 1.43 H new ATOM 0 HZ1 LYS A 74 10.156 -2.446 16.399 1.00 40.40 H new ATOM 0 HZ2 LYS A 74 10.791 -1.092 17.203 1.00 40.40 H new ATOM 0 HZ3 LYS A 74 11.075 -1.303 15.543 1.00 40.40 H new ATOM 1258 N ALA A 75 17.373 -4.247 15.861 1.00 32.54 N ATOM 1259 CA ALA A 75 18.322 -4.777 14.897 1.00 21.12 C ATOM 1260 C ALA A 75 17.702 -4.730 13.499 1.00 3.11 C ATOM 1261 O ALA A 75 16.671 -5.354 13.252 1.00 44.32 O ATOM 1262 CB ALA A 75 18.729 -6.194 15.307 1.00 44.21 C ATOM 0 H ALA A 75 16.397 -4.292 15.568 1.00 32.54 H new ATOM 0 HA ALA A 75 19.228 -4.171 14.877 1.00 21.12 H new ATOM 0 HB1 ALA A 75 19.441 -6.592 14.584 1.00 44.21 H new ATOM 0 HB2 ALA A 75 19.190 -6.169 16.294 1.00 44.21 H new ATOM 0 HB3 ALA A 75 17.846 -6.832 15.335 1.00 44.21 H new ATOM 1268 N ILE A 76 18.357 -3.984 12.621 1.00 30.14 N ATOM 1269 CA ILE A 76 17.883 -3.847 11.255 1.00 62.35 C ATOM 1270 C ILE A 76 18.870 -4.531 10.306 1.00 4.33 C ATOM 1271 O ILE A 76 20.051 -4.665 10.625 1.00 32.40 O ATOM 1272 CB ILE A 76 17.628 -2.376 10.921 1.00 72.23 C ATOM 1273 CG1 ILE A 76 16.454 -2.230 9.950 1.00 11.03 C ATOM 1274 CG2 ILE A 76 18.897 -1.706 10.390 1.00 31.13 C ATOM 1275 CD1 ILE A 76 15.757 -0.880 10.133 1.00 74.44 C ATOM 0 H ILE A 76 19.212 -3.468 12.830 1.00 30.14 H new ATOM 0 HA ILE A 76 16.923 -4.349 11.133 1.00 62.35 H new ATOM 0 HB ILE A 76 17.352 -1.860 11.841 1.00 72.23 H new ATOM 0 HG12 ILE A 76 16.812 -2.323 8.925 1.00 11.03 H new ATOM 0 HG13 ILE A 76 15.740 -3.037 10.113 1.00 11.03 H new ATOM 0 HG21 ILE A 76 18.688 -0.661 10.160 1.00 31.13 H new ATOM 0 HG22 ILE A 76 19.681 -1.762 11.145 1.00 31.13 H new ATOM 0 HG23 ILE A 76 19.227 -2.217 9.486 1.00 31.13 H new ATOM 0 HD11 ILE A 76 14.927 -0.801 9.431 1.00 74.44 H new ATOM 0 HD12 ILE A 76 15.380 -0.801 11.152 1.00 74.44 H new ATOM 0 HD13 ILE A 76 16.468 -0.075 9.946 1.00 74.44 H new ATOM 1287 N PHE A 77 18.351 -4.944 9.160 1.00 72.22 N ATOM 1288 CA PHE A 77 19.172 -5.610 8.163 1.00 31.31 C ATOM 1289 C PHE A 77 18.802 -5.150 6.752 1.00 72.35 C ATOM 1290 O PHE A 77 17.679 -4.709 6.513 1.00 12.31 O ATOM 1291 CB PHE A 77 18.896 -7.110 8.287 1.00 63.25 C ATOM 1292 CG PHE A 77 19.523 -7.758 9.523 1.00 63.33 C ATOM 1293 CD1 PHE A 77 20.869 -7.942 9.585 1.00 4.34 C ATOM 1294 CD2 PHE A 77 18.734 -8.151 10.558 1.00 24.15 C ATOM 1295 CE1 PHE A 77 21.451 -8.543 10.733 1.00 62.24 C ATOM 1296 CE2 PHE A 77 19.316 -8.753 11.706 1.00 42.33 C ATOM 1297 CZ PHE A 77 20.662 -8.936 11.768 1.00 24.14 C ATOM 0 H PHE A 77 17.372 -4.830 8.899 1.00 72.22 H new ATOM 0 HA PHE A 77 20.223 -5.374 8.328 1.00 31.31 H new ATOM 0 HB2 PHE A 77 17.818 -7.270 8.313 1.00 63.25 H new ATOM 0 HB3 PHE A 77 19.271 -7.613 7.396 1.00 63.25 H new ATOM 0 HD1 PHE A 77 21.495 -7.631 8.762 1.00 4.34 H new ATOM 0 HD2 PHE A 77 17.665 -8.006 10.508 1.00 24.15 H new ATOM 0 HE1 PHE A 77 22.520 -8.688 10.784 1.00 62.24 H new ATOM 0 HE2 PHE A 77 18.690 -9.065 12.529 1.00 42.33 H new ATOM 0 HZ PHE A 77 21.105 -9.394 12.640 1.00 24.14 H new ATOM 1307 N ILE A 78 19.768 -5.270 5.852 1.00 13.35 N ATOM 1308 CA ILE A 78 19.557 -4.872 4.471 1.00 45.31 C ATOM 1309 C ILE A 78 19.526 -6.118 3.585 1.00 64.44 C ATOM 1310 O ILE A 78 20.220 -7.097 3.859 1.00 50.45 O ATOM 1311 CB ILE A 78 20.605 -3.841 4.045 1.00 14.52 C ATOM 1312 CG1 ILE A 78 20.997 -2.941 5.219 1.00 22.01 C ATOM 1313 CG2 ILE A 78 20.119 -3.032 2.841 1.00 43.45 C ATOM 1314 CD1 ILE A 78 19.765 -2.276 5.836 1.00 2.11 C ATOM 0 H ILE A 78 20.698 -5.637 6.053 1.00 13.35 H new ATOM 0 HA ILE A 78 18.592 -4.377 4.360 1.00 45.31 H new ATOM 0 HB ILE A 78 21.503 -4.375 3.734 1.00 14.52 H new ATOM 0 HG12 ILE A 78 21.514 -3.530 5.976 1.00 22.01 H new ATOM 0 HG13 ILE A 78 21.695 -2.176 4.878 1.00 22.01 H new ATOM 0 HG21 ILE A 78 20.882 -2.307 2.558 1.00 43.45 H new ATOM 0 HG22 ILE A 78 19.929 -3.704 2.004 1.00 43.45 H new ATOM 0 HG23 ILE A 78 19.199 -2.508 3.102 1.00 43.45 H new ATOM 0 HD11 ILE A 78 20.072 -1.642 6.668 1.00 2.11 H new ATOM 0 HD12 ILE A 78 19.264 -1.668 5.083 1.00 2.11 H new ATOM 0 HD13 ILE A 78 19.080 -3.043 6.198 1.00 2.11 H new ATOM 1326 N PHE A 79 18.715 -6.043 2.540 1.00 13.22 N ATOM 1327 CA PHE A 79 18.584 -7.153 1.612 1.00 61.11 C ATOM 1328 C PHE A 79 18.558 -6.658 0.165 1.00 43.44 C ATOM 1329 O PHE A 79 17.699 -5.860 -0.207 1.00 1.30 O ATOM 1330 CB PHE A 79 17.256 -7.844 1.926 1.00 73.34 C ATOM 1331 CG PHE A 79 17.126 -8.315 3.376 1.00 42.42 C ATOM 1332 CD1 PHE A 79 17.065 -7.403 4.383 1.00 24.14 C ATOM 1333 CD2 PHE A 79 17.072 -9.644 3.657 1.00 20.03 C ATOM 1334 CE1 PHE A 79 16.945 -7.840 5.729 1.00 3.43 C ATOM 1335 CE2 PHE A 79 16.952 -10.081 5.003 1.00 11.52 C ATOM 1336 CZ PHE A 79 16.891 -9.169 6.011 1.00 61.12 C ATOM 0 H PHE A 79 18.142 -5.230 2.315 1.00 13.22 H new ATOM 0 HA PHE A 79 19.431 -7.830 1.721 1.00 61.11 H new ATOM 0 HB2 PHE A 79 16.439 -7.157 1.704 1.00 73.34 H new ATOM 0 HB3 PHE A 79 17.140 -8.702 1.264 1.00 73.34 H new ATOM 0 HD1 PHE A 79 17.108 -6.347 4.159 1.00 24.14 H new ATOM 0 HD2 PHE A 79 17.120 -10.368 2.857 1.00 20.03 H new ATOM 0 HE1 PHE A 79 16.897 -7.116 6.529 1.00 3.43 H new ATOM 0 HE2 PHE A 79 16.909 -11.137 5.226 1.00 11.52 H new ATOM 0 HZ PHE A 79 16.800 -9.501 7.035 1.00 61.12 H new ATOM 1346 N VAL A 80 19.510 -7.151 -0.613 1.00 65.33 N ATOM 1347 CA VAL A 80 19.608 -6.769 -2.012 1.00 12.33 C ATOM 1348 C VAL A 80 19.325 -7.989 -2.891 1.00 11.34 C ATOM 1349 O VAL A 80 19.950 -9.035 -2.726 1.00 31.33 O ATOM 1350 CB VAL A 80 20.974 -6.137 -2.288 1.00 13.14 C ATOM 1351 CG1 VAL A 80 21.477 -5.365 -1.066 1.00 64.14 C ATOM 1352 CG2 VAL A 80 21.989 -7.195 -2.725 1.00 11.13 C ATOM 0 H VAL A 80 20.221 -7.812 -0.301 1.00 65.33 H new ATOM 0 HA VAL A 80 18.861 -6.014 -2.254 1.00 12.33 H new ATOM 0 HB VAL A 80 20.856 -5.428 -3.107 1.00 13.14 H new ATOM 0 HG11 VAL A 80 22.449 -4.926 -1.288 1.00 64.14 H new ATOM 0 HG12 VAL A 80 20.769 -4.574 -0.819 1.00 64.14 H new ATOM 0 HG13 VAL A 80 21.571 -6.045 -0.219 1.00 64.14 H new ATOM 0 HG21 VAL A 80 22.951 -6.720 -2.915 1.00 11.13 H new ATOM 0 HG22 VAL A 80 22.101 -7.939 -1.936 1.00 11.13 H new ATOM 0 HG23 VAL A 80 21.639 -7.681 -3.635 1.00 11.13 H new ATOM 1362 N ASN A 81 18.383 -7.813 -3.805 1.00 74.53 N ATOM 1363 CA ASN A 81 18.009 -8.887 -4.710 1.00 64.14 C ATOM 1364 C ASN A 81 17.690 -10.144 -3.899 1.00 73.32 C ATOM 1365 O ASN A 81 18.257 -11.207 -4.146 1.00 22.53 O ATOM 1366 CB ASN A 81 19.153 -9.222 -5.670 1.00 4.44 C ATOM 1367 CG ASN A 81 19.278 -8.161 -6.765 1.00 43.02 C ATOM 1368 OD1 ASN A 81 19.644 -6.963 -6.319 1.00 44.21 O flip ATOM 1369 ND2 ASN A 81 19.057 -8.414 -7.938 1.00 12.32 N flip ATOM 0 H ASN A 81 17.867 -6.943 -3.939 1.00 74.53 H new ATOM 0 HA ASN A 81 17.142 -8.558 -5.283 1.00 64.14 H new ATOM 0 HB2 ASN A 81 20.089 -9.290 -5.116 1.00 4.44 H new ATOM 0 HB3 ASN A 81 18.979 -10.198 -6.123 1.00 4.44 H new ATOM 0 HD21 ASN A 81 18.779 -9.356 -8.213 1.00 12.32 H new ATOM 0 HD22 ASN A 81 19.150 -7.683 -8.644 1.00 12.32 H new ATOM 1376 N ASP A 82 16.782 -9.981 -2.948 1.00 21.11 N ATOM 1377 CA ASP A 82 16.380 -11.090 -2.099 1.00 1.32 C ATOM 1378 C ASP A 82 17.628 -11.800 -1.570 1.00 71.25 C ATOM 1379 O ASP A 82 17.695 -13.028 -1.573 1.00 30.42 O ATOM 1380 CB ASP A 82 15.551 -12.110 -2.881 1.00 53.10 C ATOM 1381 CG ASP A 82 14.946 -13.234 -2.038 1.00 32.31 C ATOM 1382 OD1 ASP A 82 14.503 -13.013 -0.901 1.00 54.42 O ATOM 1383 OD2 ASP A 82 14.940 -14.395 -2.601 1.00 22.03 O ATOM 0 H ASP A 82 16.313 -9.098 -2.747 1.00 21.11 H new ATOM 0 HA ASP A 82 15.780 -10.689 -1.282 1.00 1.32 H new ATOM 0 HB2 ASP A 82 14.744 -11.585 -3.392 1.00 53.10 H new ATOM 0 HB3 ASP A 82 16.181 -12.553 -3.652 1.00 53.10 H new ATOM 1389 N THR A 83 18.585 -10.997 -1.130 1.00 63.22 N ATOM 1390 CA THR A 83 19.827 -11.534 -0.600 1.00 2.21 C ATOM 1391 C THR A 83 20.251 -10.761 0.651 1.00 72.32 C ATOM 1392 O THR A 83 19.511 -9.908 1.138 1.00 33.45 O ATOM 1393 CB THR A 83 20.872 -11.501 -1.717 1.00 53.14 C ATOM 1394 OG1 THR A 83 21.658 -12.667 -1.492 1.00 24.44 O ATOM 1395 CG2 THR A 83 21.863 -10.346 -1.558 1.00 61.44 C ATOM 0 H THR A 83 18.526 -9.979 -1.129 1.00 63.22 H new ATOM 0 HA THR A 83 19.705 -12.569 -0.280 1.00 2.21 H new ATOM 0 HB THR A 83 20.370 -11.418 -2.681 1.00 53.14 H new ATOM 0 HG1 THR A 83 22.360 -12.725 -2.174 1.00 24.44 H new ATOM 0 HG21 THR A 83 22.583 -10.369 -2.376 1.00 61.44 H new ATOM 0 HG22 THR A 83 21.324 -9.399 -1.575 1.00 61.44 H new ATOM 0 HG23 THR A 83 22.390 -10.446 -0.609 1.00 61.44 H new ATOM 1403 N LEU A 84 21.440 -11.088 1.134 1.00 4.33 N ATOM 1404 CA LEU A 84 21.972 -10.435 2.319 1.00 75.11 C ATOM 1405 C LEU A 84 23.492 -10.322 2.195 1.00 43.41 C ATOM 1406 O LEU A 84 24.220 -11.238 2.573 1.00 33.43 O ATOM 1407 CB LEU A 84 21.510 -11.162 3.584 1.00 62.34 C ATOM 1408 CG LEU A 84 21.310 -10.289 4.824 1.00 30.30 C ATOM 1409 CD1 LEU A 84 19.844 -9.880 4.976 1.00 74.52 C ATOM 1410 CD2 LEU A 84 21.843 -10.987 6.077 1.00 2.41 C ATOM 0 H LEU A 84 22.051 -11.796 0.727 1.00 4.33 H new ATOM 0 HA LEU A 84 21.583 -9.420 2.402 1.00 75.11 H new ATOM 0 HB2 LEU A 84 20.570 -11.668 3.365 1.00 62.34 H new ATOM 0 HB3 LEU A 84 22.241 -11.935 3.822 1.00 62.34 H new ATOM 0 HG LEU A 84 21.888 -9.374 4.694 1.00 30.30 H new ATOM 0 HD11 LEU A 84 19.730 -9.260 5.865 1.00 74.52 H new ATOM 0 HD12 LEU A 84 19.531 -9.316 4.098 1.00 74.52 H new ATOM 0 HD13 LEU A 84 19.226 -10.772 5.074 1.00 74.52 H new ATOM 0 HD21 LEU A 84 21.689 -10.345 6.944 1.00 2.41 H new ATOM 0 HD22 LEU A 84 21.313 -11.928 6.223 1.00 2.41 H new ATOM 0 HD23 LEU A 84 22.908 -11.186 5.958 1.00 2.41 H new ATOM 1422 N PRO A 85 23.939 -9.159 1.649 1.00 2.11 N ATOM 1423 CA PRO A 85 25.360 -8.914 1.470 1.00 1.44 C ATOM 1424 C PRO A 85 26.032 -8.586 2.805 1.00 2.23 C ATOM 1425 O PRO A 85 25.358 -8.251 3.778 1.00 21.42 O ATOM 1426 CB PRO A 85 25.440 -7.773 0.469 1.00 14.43 C ATOM 1427 CG PRO A 85 24.070 -7.114 0.478 1.00 35.22 C ATOM 1428 CD PRO A 85 23.107 -8.051 1.190 1.00 52.05 C ATOM 0 HA PRO A 85 25.894 -9.789 1.100 1.00 1.44 H new ATOM 0 HB2 PRO A 85 26.217 -7.062 0.749 1.00 14.43 H new ATOM 0 HB3 PRO A 85 25.689 -8.143 -0.526 1.00 14.43 H new ATOM 0 HG2 PRO A 85 24.113 -6.151 0.987 1.00 35.22 H new ATOM 0 HG3 PRO A 85 23.732 -6.921 -0.540 1.00 35.22 H new ATOM 0 HD2 PRO A 85 22.615 -7.553 2.025 1.00 52.05 H new ATOM 0 HD3 PRO A 85 22.322 -8.397 0.518 1.00 52.05 H new ATOM 1436 N PRO A 86 27.388 -8.696 2.809 1.00 53.24 N ATOM 1437 CA PRO A 86 28.158 -8.415 4.008 1.00 45.22 C ATOM 1438 C PRO A 86 28.245 -6.909 4.263 1.00 5.24 C ATOM 1439 O PRO A 86 27.870 -6.108 3.409 1.00 53.21 O ATOM 1440 CB PRO A 86 29.515 -9.055 3.763 1.00 60.04 C ATOM 1441 CG PRO A 86 29.611 -9.266 2.260 1.00 0.23 C ATOM 1442 CD PRO A 86 28.219 -9.089 1.675 1.00 25.10 C ATOM 0 HA PRO A 86 27.697 -8.821 4.909 1.00 45.22 H new ATOM 0 HB2 PRO A 86 30.320 -8.412 4.119 1.00 60.04 H new ATOM 0 HB3 PRO A 86 29.603 -10.001 4.297 1.00 60.04 H new ATOM 0 HG2 PRO A 86 30.305 -8.551 1.818 1.00 0.23 H new ATOM 0 HG3 PRO A 86 29.995 -10.262 2.038 1.00 0.23 H new ATOM 0 HD2 PRO A 86 28.211 -8.327 0.895 1.00 25.10 H new ATOM 0 HD3 PRO A 86 27.859 -10.013 1.222 1.00 25.10 H new ATOM 1450 N THR A 87 28.743 -6.569 5.443 1.00 4.12 N ATOM 1451 CA THR A 87 28.885 -5.173 5.822 1.00 33.30 C ATOM 1452 C THR A 87 30.147 -4.576 5.196 1.00 33.03 C ATOM 1453 O THR A 87 30.248 -3.361 5.034 1.00 71.04 O ATOM 1454 CB THR A 87 28.868 -5.094 7.350 1.00 60.02 C ATOM 1455 OG1 THR A 87 29.392 -3.800 7.636 1.00 33.11 O ATOM 1456 CG2 THR A 87 29.870 -6.053 7.997 1.00 54.21 C ATOM 0 H THR A 87 29.053 -7.236 6.149 1.00 4.12 H new ATOM 0 HA THR A 87 28.058 -4.574 5.442 1.00 33.30 H new ATOM 0 HB THR A 87 27.865 -5.317 7.714 1.00 60.02 H new ATOM 0 HG1 THR A 87 29.415 -3.664 8.606 1.00 33.11 H new ATOM 0 HG21 THR A 87 29.817 -5.957 9.081 1.00 54.21 H new ATOM 0 HG22 THR A 87 29.630 -7.077 7.711 1.00 54.21 H new ATOM 0 HG23 THR A 87 30.877 -5.809 7.660 1.00 54.21 H new ATOM 1464 N ALA A 88 31.077 -5.458 4.862 1.00 22.04 N ATOM 1465 CA ALA A 88 32.329 -5.033 4.258 1.00 35.21 C ATOM 1466 C ALA A 88 32.084 -4.666 2.793 1.00 14.12 C ATOM 1467 O ALA A 88 32.718 -3.755 2.263 1.00 23.24 O ATOM 1468 CB ALA A 88 33.373 -6.140 4.415 1.00 60.22 C ATOM 0 H ALA A 88 30.989 -6.465 4.998 1.00 22.04 H new ATOM 0 HA ALA A 88 32.716 -4.146 4.760 1.00 35.21 H new ATOM 0 HB1 ALA A 88 34.312 -5.822 3.962 1.00 60.22 H new ATOM 0 HB2 ALA A 88 33.531 -6.343 5.474 1.00 60.22 H new ATOM 0 HB3 ALA A 88 33.021 -7.045 3.921 1.00 60.22 H new ATOM 1474 N ALA A 89 31.162 -5.393 2.180 1.00 34.51 N ATOM 1475 CA ALA A 89 30.825 -5.156 0.787 1.00 51.42 C ATOM 1476 C ALA A 89 30.787 -3.648 0.526 1.00 70.51 C ATOM 1477 O ALA A 89 30.265 -2.887 1.339 1.00 24.10 O ATOM 1478 CB ALA A 89 29.495 -5.838 0.459 1.00 2.31 C ATOM 0 H ALA A 89 30.637 -6.147 2.623 1.00 34.51 H new ATOM 0 HA ALA A 89 31.582 -5.586 0.131 1.00 51.42 H new ATOM 0 HB1 ALA A 89 29.243 -5.660 -0.586 1.00 2.31 H new ATOM 0 HB2 ALA A 89 29.583 -6.910 0.633 1.00 2.31 H new ATOM 0 HB3 ALA A 89 28.710 -5.430 1.096 1.00 2.31 H new ATOM 1484 N LEU A 90 31.347 -3.263 -0.611 1.00 54.15 N ATOM 1485 CA LEU A 90 31.383 -1.860 -0.990 1.00 23.43 C ATOM 1486 C LEU A 90 30.123 -1.519 -1.787 1.00 41.52 C ATOM 1487 O LEU A 90 29.703 -2.288 -2.650 1.00 15.30 O ATOM 1488 CB LEU A 90 32.684 -1.538 -1.728 1.00 23.44 C ATOM 1489 CG LEU A 90 33.297 -0.166 -1.440 1.00 54.00 C ATOM 1490 CD1 LEU A 90 33.529 0.027 0.060 1.00 54.42 C ATOM 1491 CD2 LEU A 90 34.578 0.044 -2.250 1.00 34.51 C ATOM 0 H LEU A 90 31.780 -3.898 -1.282 1.00 54.15 H new ATOM 0 HA LEU A 90 31.381 -1.226 -0.104 1.00 23.43 H new ATOM 0 HB2 LEU A 90 33.419 -2.302 -1.477 1.00 23.44 H new ATOM 0 HB3 LEU A 90 32.499 -1.613 -2.800 1.00 23.44 H new ATOM 0 HG LEU A 90 32.587 0.598 -1.757 1.00 54.00 H new ATOM 0 HD11 LEU A 90 33.965 1.010 0.237 1.00 54.42 H new ATOM 0 HD12 LEU A 90 32.578 -0.049 0.588 1.00 54.42 H new ATOM 0 HD13 LEU A 90 34.209 -0.743 0.425 1.00 54.42 H new ATOM 0 HD21 LEU A 90 34.993 1.027 -2.026 1.00 34.51 H new ATOM 0 HD22 LEU A 90 35.305 -0.725 -1.988 1.00 34.51 H new ATOM 0 HD23 LEU A 90 34.350 -0.020 -3.314 1.00 34.51 H new ATOM 1503 N MET A 91 29.556 -0.364 -1.470 1.00 51.12 N ATOM 1504 CA MET A 91 28.352 0.089 -2.146 1.00 43.24 C ATOM 1505 C MET A 91 28.618 0.333 -3.633 1.00 54.33 C ATOM 1506 O MET A 91 27.684 0.522 -4.411 1.00 73.14 O ATOM 1507 CB MET A 91 27.858 1.383 -1.497 1.00 10.23 C ATOM 1508 CG MET A 91 27.658 1.199 0.009 1.00 31.00 C ATOM 1509 SD MET A 91 26.602 -0.207 0.317 1.00 0.10 S ATOM 1510 CE MET A 91 25.170 0.266 -0.637 1.00 54.22 C ATOM 0 H MET A 91 29.908 0.272 -0.754 1.00 51.12 H new ATOM 0 HA MET A 91 27.592 -0.687 -2.054 1.00 43.24 H new ATOM 0 HB2 MET A 91 28.577 2.182 -1.677 1.00 10.23 H new ATOM 0 HB3 MET A 91 26.919 1.690 -1.958 1.00 10.23 H new ATOM 0 HG2 MET A 91 28.622 1.054 0.497 1.00 31.00 H new ATOM 0 HG3 MET A 91 27.215 2.098 0.438 1.00 31.00 H new ATOM 0 HE1 MET A 91 24.294 -0.266 -0.266 1.00 54.22 H new ATOM 0 HE2 MET A 91 25.009 1.340 -0.543 1.00 54.22 H new ATOM 0 HE3 MET A 91 25.331 0.014 -1.685 1.00 54.22 H new ATOM 1520 N SER A 92 29.895 0.322 -3.983 1.00 64.24 N ATOM 1521 CA SER A 92 30.295 0.540 -5.363 1.00 63.42 C ATOM 1522 C SER A 92 30.358 -0.796 -6.107 1.00 55.00 C ATOM 1523 O SER A 92 29.911 -0.896 -7.249 1.00 33.34 O ATOM 1524 CB SER A 92 31.647 1.253 -5.439 1.00 32.31 C ATOM 1525 OG SER A 92 31.837 1.904 -6.692 1.00 1.42 O ATOM 0 H SER A 92 30.667 0.165 -3.335 1.00 64.24 H new ATOM 0 HA SER A 92 29.550 1.179 -5.838 1.00 63.42 H new ATOM 0 HB2 SER A 92 31.716 1.986 -4.635 1.00 32.31 H new ATOM 0 HB3 SER A 92 32.447 0.530 -5.281 1.00 32.31 H new ATOM 0 HG SER A 92 31.859 1.235 -7.408 1.00 1.42 H new ATOM 1531 N ALA A 93 30.915 -1.789 -5.430 1.00 3.44 N ATOM 1532 CA ALA A 93 31.042 -3.114 -6.012 1.00 11.11 C ATOM 1533 C ALA A 93 29.667 -3.785 -6.046 1.00 2.33 C ATOM 1534 O ALA A 93 29.345 -4.500 -6.993 1.00 33.11 O ATOM 1535 CB ALA A 93 32.067 -3.925 -5.217 1.00 61.11 C ATOM 0 H ALA A 93 31.284 -1.702 -4.483 1.00 3.44 H new ATOM 0 HA ALA A 93 31.403 -3.049 -7.038 1.00 11.11 H new ATOM 0 HB1 ALA A 93 32.162 -4.919 -5.654 1.00 61.11 H new ATOM 0 HB2 ALA A 93 33.033 -3.421 -5.248 1.00 61.11 H new ATOM 0 HB3 ALA A 93 31.737 -4.014 -4.182 1.00 61.11 H new ATOM 1541 N ILE A 94 28.894 -3.530 -5.001 1.00 11.35 N ATOM 1542 CA ILE A 94 27.561 -4.100 -4.899 1.00 3.03 C ATOM 1543 C ILE A 94 26.668 -3.496 -5.984 1.00 43.33 C ATOM 1544 O ILE A 94 26.161 -4.212 -6.846 1.00 22.32 O ATOM 1545 CB ILE A 94 27.011 -3.925 -3.482 1.00 33.41 C ATOM 1546 CG1 ILE A 94 27.865 -4.685 -2.464 1.00 54.24 C ATOM 1547 CG2 ILE A 94 25.538 -4.333 -3.412 1.00 73.30 C ATOM 1548 CD1 ILE A 94 27.592 -6.189 -2.534 1.00 1.23 C ATOM 0 H ILE A 94 29.165 -2.936 -4.217 1.00 11.35 H new ATOM 0 HA ILE A 94 27.592 -5.175 -5.074 1.00 3.03 H new ATOM 0 HB ILE A 94 27.066 -2.868 -3.223 1.00 33.41 H new ATOM 0 HG12 ILE A 94 28.921 -4.494 -2.655 1.00 54.24 H new ATOM 0 HG13 ILE A 94 27.652 -4.319 -1.460 1.00 54.24 H new ATOM 0 HG21 ILE A 94 25.171 -4.199 -2.394 1.00 73.30 H new ATOM 0 HG22 ILE A 94 24.956 -3.712 -4.092 1.00 73.30 H new ATOM 0 HG23 ILE A 94 25.436 -5.379 -3.700 1.00 73.30 H new ATOM 0 HD11 ILE A 94 28.211 -6.706 -1.801 1.00 1.23 H new ATOM 0 HD12 ILE A 94 26.540 -6.378 -2.319 1.00 1.23 H new ATOM 0 HD13 ILE A 94 27.830 -6.556 -3.533 1.00 1.23 H new ATOM 1560 N TYR A 95 26.503 -2.183 -5.907 1.00 64.42 N ATOM 1561 CA TYR A 95 25.680 -1.475 -6.873 1.00 4.44 C ATOM 1562 C TYR A 95 26.171 -1.726 -8.300 1.00 54.31 C ATOM 1563 O TYR A 95 25.405 -1.597 -9.255 1.00 24.15 O ATOM 1564 CB TYR A 95 25.835 0.012 -6.547 1.00 51.31 C ATOM 1565 CG TYR A 95 25.219 0.945 -7.592 1.00 4.10 C ATOM 1566 CD1 TYR A 95 25.796 1.058 -8.841 1.00 15.21 C ATOM 1567 CD2 TYR A 95 24.088 1.674 -7.286 1.00 32.44 C ATOM 1568 CE1 TYR A 95 25.216 1.936 -9.824 1.00 42.13 C ATOM 1569 CE2 TYR A 95 23.509 2.552 -8.269 1.00 35.40 C ATOM 1570 CZ TYR A 95 24.101 2.640 -9.490 1.00 23.42 C ATOM 1571 OH TYR A 95 23.554 3.469 -10.419 1.00 22.24 O ATOM 0 H TYR A 95 26.925 -1.592 -5.191 1.00 64.42 H new ATOM 0 HA TYR A 95 24.645 -1.811 -6.815 1.00 4.44 H new ATOM 0 HB2 TYR A 95 25.374 0.212 -5.580 1.00 51.31 H new ATOM 0 HB3 TYR A 95 26.896 0.243 -6.448 1.00 51.31 H new ATOM 0 HD1 TYR A 95 26.682 0.488 -9.081 1.00 15.21 H new ATOM 0 HD2 TYR A 95 23.637 1.586 -6.309 1.00 32.44 H new ATOM 0 HE1 TYR A 95 25.657 2.033 -10.805 1.00 42.13 H new ATOM 0 HE2 TYR A 95 22.624 3.128 -8.042 1.00 35.40 H new ATOM 0 HH TYR A 95 22.803 3.018 -10.858 1.00 22.24 H new ATOM 1581 N GLN A 96 27.443 -2.079 -8.401 1.00 24.20 N ATOM 1582 CA GLN A 96 28.045 -2.349 -9.696 1.00 33.41 C ATOM 1583 C GLN A 96 27.410 -3.590 -10.327 1.00 60.14 C ATOM 1584 O GLN A 96 27.148 -3.614 -11.529 1.00 23.50 O ATOM 1585 CB GLN A 96 29.561 -2.511 -9.573 1.00 61.53 C ATOM 1586 CG GLN A 96 30.284 -1.222 -9.968 1.00 61.34 C ATOM 1587 CD GLN A 96 31.670 -1.152 -9.325 1.00 2.44 C ATOM 1588 OE1 GLN A 96 31.949 0.023 -8.767 1.00 64.15 O flip ATOM 1589 NE2 GLN A 96 32.436 -2.101 -9.333 1.00 55.41 N flip ATOM 0 H GLN A 96 28.075 -2.185 -7.607 1.00 24.20 H new ATOM 0 HA GLN A 96 27.856 -1.496 -10.348 1.00 33.41 H new ATOM 0 HB2 GLN A 96 29.820 -2.778 -8.548 1.00 61.53 H new ATOM 0 HB3 GLN A 96 29.896 -3.330 -10.210 1.00 61.53 H new ATOM 0 HG2 GLN A 96 30.379 -1.172 -11.053 1.00 61.34 H new ATOM 0 HG3 GLN A 96 29.692 -0.360 -9.660 1.00 61.34 H new ATOM 0 HE21 GLN A 96 32.160 -2.976 -9.779 1.00 55.41 H new ATOM 0 HE22 GLN A 96 33.353 -2.020 -8.894 1.00 55.41 H new ATOM 1598 N GLU A 97 27.181 -4.590 -9.489 1.00 71.20 N ATOM 1599 CA GLU A 97 26.582 -5.831 -9.950 1.00 71.12 C ATOM 1600 C GLU A 97 25.121 -5.914 -9.502 1.00 25.35 C ATOM 1601 O GLU A 97 24.430 -6.886 -9.803 1.00 63.10 O ATOM 1602 CB GLU A 97 27.377 -7.041 -9.456 1.00 2.24 C ATOM 1603 CG GLU A 97 28.641 -7.246 -10.293 1.00 42.30 C ATOM 1604 CD GLU A 97 29.226 -8.642 -10.071 1.00 32.13 C ATOM 1605 OE1 GLU A 97 30.067 -8.827 -9.179 1.00 32.25 O ATOM 1606 OE2 GLU A 97 28.776 -9.554 -10.864 1.00 35.31 O ATOM 0 H GLU A 97 27.400 -4.566 -8.493 1.00 71.20 H new ATOM 0 HA GLU A 97 26.609 -5.841 -11.040 1.00 71.12 H new ATOM 0 HB2 GLU A 97 27.648 -6.900 -8.410 1.00 2.24 H new ATOM 0 HB3 GLU A 97 26.755 -7.934 -9.506 1.00 2.24 H new ATOM 0 HG2 GLU A 97 28.408 -7.109 -11.349 1.00 42.30 H new ATOM 0 HG3 GLU A 97 29.382 -6.491 -10.030 1.00 42.30 H new ATOM 1614 N HIS A 98 24.695 -4.882 -8.788 1.00 61.43 N ATOM 1615 CA HIS A 98 23.329 -4.827 -8.295 1.00 44.31 C ATOM 1616 C HIS A 98 22.570 -3.710 -9.013 1.00 53.51 C ATOM 1617 O HIS A 98 21.349 -3.612 -8.900 1.00 12.33 O ATOM 1618 CB HIS A 98 23.307 -4.675 -6.773 1.00 24.32 C ATOM 1619 CG HIS A 98 23.643 -5.943 -6.025 1.00 24.43 C ATOM 1620 ND1 HIS A 98 24.792 -6.332 -5.401 1.00 35.35 N flip ATOM 1621 CD2 HIS A 98 22.740 -6.978 -5.860 1.00 24.31 C flip ATOM 1622 CE1 HIS A 98 24.600 -7.539 -4.882 1.00 43.03 C flip ATOM 1623 NE2 HIS A 98 23.328 -7.941 -5.165 1.00 3.54 N flip ATOM 0 H HIS A 98 25.271 -4.078 -8.539 1.00 61.43 H new ATOM 0 HA HIS A 98 22.820 -5.765 -8.516 1.00 44.31 H new ATOM 0 HB2 HIS A 98 24.014 -3.897 -6.485 1.00 24.32 H new ATOM 0 HB3 HIS A 98 22.318 -4.335 -6.466 1.00 24.32 H new ATOM 0 HD2 HIS A 98 21.727 -6.998 -6.234 1.00 24.31 H new ATOM 0 HE1 HIS A 98 25.331 -8.109 -4.327 1.00 43.03 H new ATOM 0 HE2 HIS A 98 22.904 -8.827 -4.890 1.00 3.54 H new ATOM 1631 N LYS A 99 23.324 -2.895 -9.736 1.00 52.04 N ATOM 1632 CA LYS A 99 22.737 -1.788 -10.473 1.00 30.40 C ATOM 1633 C LYS A 99 21.554 -2.300 -11.297 1.00 34.23 C ATOM 1634 O LYS A 99 21.585 -3.419 -11.807 1.00 5.10 O ATOM 1635 CB LYS A 99 23.803 -1.074 -11.306 1.00 61.11 C ATOM 1636 CG LYS A 99 23.179 -0.385 -12.521 1.00 54.20 C ATOM 1637 CD LYS A 99 23.178 -1.313 -13.738 1.00 13.35 C ATOM 1638 CE LYS A 99 24.597 -1.521 -14.269 1.00 21.40 C ATOM 1639 NZ LYS A 99 24.910 -0.524 -15.317 1.00 71.30 N ATOM 0 H LYS A 99 24.336 -2.979 -9.827 1.00 52.04 H new ATOM 0 HA LYS A 99 22.347 -1.037 -9.786 1.00 30.40 H new ATOM 0 HB2 LYS A 99 24.318 -0.337 -10.690 1.00 61.11 H new ATOM 0 HB3 LYS A 99 24.553 -1.793 -11.636 1.00 61.11 H new ATOM 0 HG2 LYS A 99 22.158 -0.084 -12.288 1.00 54.20 H new ATOM 0 HG3 LYS A 99 23.734 0.524 -12.753 1.00 54.20 H new ATOM 0 HD2 LYS A 99 22.743 -2.275 -13.466 1.00 13.35 H new ATOM 0 HD3 LYS A 99 22.551 -0.890 -14.522 1.00 13.35 H new ATOM 0 HE2 LYS A 99 25.313 -1.436 -13.452 1.00 21.40 H new ATOM 0 HE3 LYS A 99 24.696 -2.528 -14.675 1.00 21.40 H new ATOM 0 HZ1 LYS A 99 25.877 -0.680 -15.666 1.00 71.30 H new ATOM 0 HZ2 LYS A 99 24.237 -0.624 -16.104 1.00 71.30 H new ATOM 0 HZ3 LYS A 99 24.836 0.434 -14.918 1.00 71.30 H new ATOM 1652 N ASP A 100 20.537 -1.457 -11.401 1.00 3.43 N ATOM 1653 CA ASP A 100 19.346 -1.810 -12.154 1.00 13.43 C ATOM 1654 C ASP A 100 19.351 -1.061 -13.488 1.00 73.11 C ATOM 1655 O ASP A 100 20.274 -0.300 -13.774 1.00 32.04 O ATOM 1656 CB ASP A 100 18.077 -1.414 -11.395 1.00 24.52 C ATOM 1657 CG ASP A 100 16.838 -2.246 -11.730 1.00 32.43 C ATOM 1658 OD1 ASP A 100 15.876 -1.746 -12.331 1.00 11.41 O ATOM 1659 OD2 ASP A 100 16.885 -3.476 -11.341 1.00 40.33 O ATOM 0 H ASP A 100 20.514 -0.530 -10.976 1.00 3.43 H new ATOM 0 HA ASP A 100 19.352 -2.889 -12.309 1.00 13.43 H new ATOM 0 HB2 ASP A 100 18.272 -1.494 -10.325 1.00 24.52 H new ATOM 0 HB3 ASP A 100 17.860 -0.366 -11.602 1.00 24.52 H new ATOM 1665 N LYS A 101 18.309 -1.304 -14.270 1.00 11.41 N ATOM 1666 CA LYS A 101 18.181 -0.662 -15.567 1.00 65.04 C ATOM 1667 C LYS A 101 17.794 0.805 -15.370 1.00 72.14 C ATOM 1668 O LYS A 101 17.907 1.610 -16.293 1.00 41.03 O ATOM 1669 CB LYS A 101 17.210 -1.441 -16.457 1.00 43.41 C ATOM 1670 CG LYS A 101 17.804 -2.789 -16.868 1.00 23.51 C ATOM 1671 CD LYS A 101 17.211 -3.269 -18.194 1.00 53.11 C ATOM 1672 CE LYS A 101 15.711 -3.538 -18.058 1.00 53.31 C ATOM 1673 NZ LYS A 101 15.147 -3.996 -19.348 1.00 23.34 N ATOM 0 H LYS A 101 17.546 -1.937 -14.030 1.00 11.41 H new ATOM 0 HA LYS A 101 19.136 -0.671 -16.093 1.00 65.04 H new ATOM 0 HB2 LYS A 101 16.272 -1.600 -15.925 1.00 43.41 H new ATOM 0 HB3 LYS A 101 16.977 -0.856 -17.347 1.00 43.41 H new ATOM 0 HG2 LYS A 101 18.886 -2.700 -16.961 1.00 23.51 H new ATOM 0 HG3 LYS A 101 17.610 -3.528 -16.090 1.00 23.51 H new ATOM 0 HD2 LYS A 101 17.381 -2.518 -18.966 1.00 53.11 H new ATOM 0 HD3 LYS A 101 17.719 -4.178 -18.516 1.00 53.11 H new ATOM 0 HE2 LYS A 101 15.539 -4.293 -17.291 1.00 53.31 H new ATOM 0 HE3 LYS A 101 15.201 -2.631 -17.733 1.00 53.31 H new ATOM 0 HZ1 LYS A 101 14.128 -4.174 -19.238 1.00 23.34 H new ATOM 0 HZ2 LYS A 101 15.294 -3.263 -20.071 1.00 23.34 H new ATOM 0 HZ3 LYS A 101 15.622 -4.873 -19.643 1.00 23.34 H new ATOM 1686 N ASP A 102 17.344 1.108 -14.161 1.00 62.44 N ATOM 1687 CA ASP A 102 16.939 2.463 -13.831 1.00 41.54 C ATOM 1688 C ASP A 102 18.096 3.181 -13.133 1.00 51.10 C ATOM 1689 O ASP A 102 17.911 4.254 -12.560 1.00 75.33 O ATOM 1690 CB ASP A 102 15.740 2.464 -12.881 1.00 51.24 C ATOM 1691 CG ASP A 102 14.547 1.625 -13.345 1.00 4.13 C ATOM 1692 OD1 ASP A 102 13.386 1.950 -13.054 1.00 45.13 O ATOM 1693 OD2 ASP A 102 14.852 0.583 -14.042 1.00 52.41 O ATOM 0 H ASP A 102 17.251 0.437 -13.398 1.00 62.44 H new ATOM 0 HA ASP A 102 16.665 2.968 -14.757 1.00 41.54 H new ATOM 0 HB2 ASP A 102 16.066 2.097 -11.908 1.00 51.24 H new ATOM 0 HB3 ASP A 102 15.409 3.493 -12.739 1.00 51.24 H new ATOM 1699 N GLY A 103 19.264 2.560 -13.203 1.00 42.15 N ATOM 1700 CA GLY A 103 20.451 3.126 -12.585 1.00 41.11 C ATOM 1701 C GLY A 103 20.419 2.942 -11.067 1.00 21.34 C ATOM 1702 O GLY A 103 21.331 2.350 -10.490 1.00 53.42 O ATOM 0 H GLY A 103 19.414 1.670 -13.678 1.00 42.15 H new ATOM 0 HA2 GLY A 103 21.341 2.648 -12.994 1.00 41.11 H new ATOM 0 HA3 GLY A 103 20.520 4.187 -12.825 1.00 41.11 H new ATOM 1706 N PHE A 104 19.360 3.459 -10.462 1.00 12.01 N ATOM 1707 CA PHE A 104 19.197 3.359 -9.021 1.00 61.14 C ATOM 1708 C PHE A 104 19.444 1.928 -8.540 1.00 21.31 C ATOM 1709 O PHE A 104 19.658 1.025 -9.348 1.00 15.21 O ATOM 1710 CB PHE A 104 17.751 3.748 -8.707 1.00 23.14 C ATOM 1711 CG PHE A 104 17.576 5.211 -8.294 1.00 63.14 C ATOM 1712 CD1 PHE A 104 17.998 5.628 -7.071 1.00 25.13 C ATOM 1713 CD2 PHE A 104 16.998 6.094 -9.152 1.00 5.51 C ATOM 1714 CE1 PHE A 104 17.836 6.986 -6.688 1.00 61.33 C ATOM 1715 CE2 PHE A 104 16.836 7.452 -8.769 1.00 41.34 C ATOM 1716 CZ PHE A 104 17.258 7.869 -7.546 1.00 3.33 C ATOM 0 H PHE A 104 18.606 3.949 -10.943 1.00 12.01 H new ATOM 0 HA PHE A 104 19.912 4.011 -8.519 1.00 61.14 H new ATOM 0 HB2 PHE A 104 17.134 3.552 -9.584 1.00 23.14 H new ATOM 0 HB3 PHE A 104 17.379 3.108 -7.907 1.00 23.14 H new ATOM 0 HD1 PHE A 104 18.457 4.926 -6.390 1.00 25.13 H new ATOM 0 HD2 PHE A 104 16.663 5.763 -10.124 1.00 5.51 H new ATOM 0 HE1 PHE A 104 18.171 7.317 -5.716 1.00 61.33 H new ATOM 0 HE2 PHE A 104 16.377 8.154 -9.450 1.00 41.34 H new ATOM 0 HZ PHE A 104 17.134 8.902 -7.255 1.00 3.33 H new ATOM 1726 N LEU A 105 19.407 1.765 -7.226 1.00 30.04 N ATOM 1727 CA LEU A 105 19.624 0.459 -6.627 1.00 21.02 C ATOM 1728 C LEU A 105 18.416 0.092 -5.763 1.00 20.42 C ATOM 1729 O LEU A 105 18.063 0.823 -4.839 1.00 42.53 O ATOM 1730 CB LEU A 105 20.953 0.431 -5.869 1.00 41.22 C ATOM 1731 CG LEU A 105 21.656 -0.926 -5.797 1.00 72.10 C ATOM 1732 CD1 LEU A 105 22.030 -1.425 -7.194 1.00 42.41 C ATOM 1733 CD2 LEU A 105 22.868 -0.867 -4.866 1.00 21.05 C ATOM 0 H LEU A 105 19.230 2.516 -6.559 1.00 30.04 H new ATOM 0 HA LEU A 105 19.708 -0.305 -7.400 1.00 21.02 H new ATOM 0 HB2 LEU A 105 21.631 1.145 -6.338 1.00 41.22 H new ATOM 0 HB3 LEU A 105 20.776 0.780 -4.852 1.00 41.22 H new ATOM 0 HG LEU A 105 20.959 -1.649 -5.373 1.00 72.10 H new ATOM 0 HD11 LEU A 105 22.528 -2.391 -7.114 1.00 42.41 H new ATOM 0 HD12 LEU A 105 21.128 -1.531 -7.796 1.00 42.41 H new ATOM 0 HD13 LEU A 105 22.701 -0.709 -7.669 1.00 42.41 H new ATOM 0 HD21 LEU A 105 23.349 -1.844 -4.833 1.00 21.05 H new ATOM 0 HD22 LEU A 105 23.576 -0.126 -5.237 1.00 21.05 H new ATOM 0 HD23 LEU A 105 22.543 -0.588 -3.863 1.00 21.05 H new ATOM 1745 N TYR A 106 17.815 -1.042 -6.094 1.00 1.14 N ATOM 1746 CA TYR A 106 16.654 -1.515 -5.359 1.00 71.45 C ATOM 1747 C TYR A 106 17.068 -2.455 -4.225 1.00 40.01 C ATOM 1748 O TYR A 106 17.660 -3.505 -4.469 1.00 73.41 O ATOM 1749 CB TYR A 106 15.807 -2.294 -6.367 1.00 73.54 C ATOM 1750 CG TYR A 106 15.155 -1.420 -7.440 1.00 51.31 C ATOM 1751 CD1 TYR A 106 15.938 -0.790 -8.387 1.00 32.23 C ATOM 1752 CD2 TYR A 106 13.784 -1.260 -7.461 1.00 63.15 C ATOM 1753 CE1 TYR A 106 15.324 0.033 -9.396 1.00 44.04 C ATOM 1754 CE2 TYR A 106 13.171 -0.437 -8.471 1.00 51.22 C ATOM 1755 CZ TYR A 106 13.971 0.169 -9.389 1.00 2.12 C ATOM 1756 OH TYR A 106 13.392 0.947 -10.342 1.00 71.45 O ATOM 0 H TYR A 106 18.110 -1.646 -6.861 1.00 1.14 H new ATOM 0 HA TYR A 106 16.114 -0.679 -4.915 1.00 71.45 H new ATOM 0 HB2 TYR A 106 16.435 -3.040 -6.853 1.00 73.54 H new ATOM 0 HB3 TYR A 106 15.027 -2.834 -5.830 1.00 73.54 H new ATOM 0 HD1 TYR A 106 17.011 -0.915 -8.371 1.00 32.23 H new ATOM 0 HD2 TYR A 106 13.171 -1.752 -6.720 1.00 63.15 H new ATOM 0 HE1 TYR A 106 15.925 0.532 -10.142 1.00 44.04 H new ATOM 0 HE2 TYR A 106 12.100 -0.304 -8.499 1.00 51.22 H new ATOM 0 HH TYR A 106 12.420 0.951 -10.215 1.00 71.45 H new ATOM 1766 N VAL A 107 16.741 -2.043 -3.009 1.00 74.12 N ATOM 1767 CA VAL A 107 17.071 -2.835 -1.836 1.00 41.15 C ATOM 1768 C VAL A 107 15.930 -2.737 -0.822 1.00 51.11 C ATOM 1769 O VAL A 107 15.087 -1.845 -0.914 1.00 64.55 O ATOM 1770 CB VAL A 107 18.418 -2.388 -1.266 1.00 4.53 C ATOM 1771 CG1 VAL A 107 18.629 -0.886 -1.470 1.00 50.01 C ATOM 1772 CG2 VAL A 107 18.539 -2.762 0.213 1.00 71.02 C ATOM 0 H VAL A 107 16.251 -1.171 -2.810 1.00 74.12 H new ATOM 0 HA VAL A 107 17.179 -3.886 -2.103 1.00 41.15 H new ATOM 0 HB VAL A 107 19.203 -2.914 -1.810 1.00 4.53 H new ATOM 0 HG11 VAL A 107 19.594 -0.595 -1.056 1.00 50.01 H new ATOM 0 HG12 VAL A 107 18.607 -0.657 -2.535 1.00 50.01 H new ATOM 0 HG13 VAL A 107 17.836 -0.335 -0.964 1.00 50.01 H new ATOM 0 HG21 VAL A 107 19.506 -2.433 0.594 1.00 71.02 H new ATOM 0 HG22 VAL A 107 17.743 -2.277 0.777 1.00 71.02 H new ATOM 0 HG23 VAL A 107 18.455 -3.843 0.323 1.00 71.02 H new ATOM 1782 N THR A 108 15.939 -3.666 0.123 1.00 43.34 N ATOM 1783 CA THR A 108 14.915 -3.695 1.153 1.00 24.23 C ATOM 1784 C THR A 108 15.525 -4.090 2.500 1.00 63.24 C ATOM 1785 O THR A 108 16.308 -5.036 2.577 1.00 1.21 O ATOM 1786 CB THR A 108 13.804 -4.639 0.689 1.00 25.21 C ATOM 1787 OG1 THR A 108 13.597 -4.287 -0.676 1.00 1.41 O ATOM 1788 CG2 THR A 108 12.462 -4.339 1.360 1.00 44.43 C ATOM 0 H THR A 108 16.639 -4.404 0.197 1.00 43.34 H new ATOM 0 HA THR A 108 14.479 -2.708 1.306 1.00 24.23 H new ATOM 0 HB THR A 108 14.092 -5.669 0.899 1.00 25.21 H new ATOM 0 HG1 THR A 108 12.893 -4.852 -1.056 1.00 1.41 H new ATOM 0 HG21 THR A 108 11.709 -5.037 0.995 1.00 44.43 H new ATOM 0 HG22 THR A 108 12.563 -4.446 2.440 1.00 44.43 H new ATOM 0 HG23 THR A 108 12.157 -3.320 1.123 1.00 44.43 H new ATOM 1796 N TYR A 109 15.144 -3.346 3.527 1.00 14.11 N ATOM 1797 CA TYR A 109 15.643 -3.606 4.866 1.00 21.45 C ATOM 1798 C TYR A 109 14.490 -3.814 5.851 1.00 63.01 C ATOM 1799 O TYR A 109 13.398 -3.284 5.654 1.00 1.51 O ATOM 1800 CB TYR A 109 16.428 -2.358 5.274 1.00 15.22 C ATOM 1801 CG TYR A 109 15.555 -1.123 5.508 1.00 74.22 C ATOM 1802 CD1 TYR A 109 15.030 -0.435 4.433 1.00 62.45 C ATOM 1803 CD2 TYR A 109 15.292 -0.697 6.794 1.00 35.41 C ATOM 1804 CE1 TYR A 109 14.209 0.727 4.652 1.00 34.44 C ATOM 1805 CE2 TYR A 109 14.470 0.465 7.014 1.00 30.40 C ATOM 1806 CZ TYR A 109 13.969 1.119 5.932 1.00 1.33 C ATOM 1807 OH TYR A 109 13.193 2.217 6.140 1.00 61.30 O ATOM 0 H TYR A 109 14.495 -2.562 3.459 1.00 14.11 H new ATOM 0 HA TYR A 109 16.256 -4.507 4.878 1.00 21.45 H new ATOM 0 HB2 TYR A 109 16.986 -2.574 6.185 1.00 15.22 H new ATOM 0 HB3 TYR A 109 17.160 -2.132 4.498 1.00 15.22 H new ATOM 0 HD1 TYR A 109 15.235 -0.769 3.427 1.00 62.45 H new ATOM 0 HD2 TYR A 109 15.703 -1.235 7.636 1.00 35.41 H new ATOM 0 HE1 TYR A 109 13.793 1.275 3.819 1.00 34.44 H new ATOM 0 HE2 TYR A 109 14.256 0.809 8.015 1.00 30.40 H new ATOM 0 HH TYR A 109 13.106 2.379 7.103 1.00 61.30 H new ATOM 1817 N SER A 110 14.773 -4.587 6.889 1.00 11.12 N ATOM 1818 CA SER A 110 13.773 -4.871 7.905 1.00 63.23 C ATOM 1819 C SER A 110 14.446 -5.042 9.268 1.00 3.11 C ATOM 1820 O SER A 110 15.671 -5.118 9.355 1.00 71.03 O ATOM 1821 CB SER A 110 12.968 -6.123 7.550 1.00 41.32 C ATOM 1822 OG SER A 110 13.756 -7.307 7.635 1.00 5.24 O ATOM 0 H SER A 110 15.680 -5.025 7.049 1.00 11.12 H new ATOM 0 HA SER A 110 13.083 -4.029 7.951 1.00 63.23 H new ATOM 0 HB2 SER A 110 12.114 -6.207 8.222 1.00 41.32 H new ATOM 0 HB3 SER A 110 12.571 -6.024 6.540 1.00 41.32 H new ATOM 0 HG SER A 110 13.205 -8.084 7.403 1.00 5.24 H new ATOM 1828 N GLY A 111 13.616 -5.097 10.299 1.00 21.02 N ATOM 1829 CA GLY A 111 14.115 -5.257 11.654 1.00 25.33 C ATOM 1830 C GLY A 111 14.363 -6.732 11.977 1.00 61.45 C ATOM 1831 O GLY A 111 14.606 -7.087 13.129 1.00 61.51 O ATOM 0 H GLY A 111 12.601 -5.034 10.223 1.00 21.02 H new ATOM 0 HA2 GLY A 111 15.041 -4.694 11.773 1.00 25.33 H new ATOM 0 HA3 GLY A 111 13.397 -4.842 12.361 1.00 25.33 H new ATOM 1835 N GLU A 112 14.293 -7.552 10.938 1.00 40.22 N ATOM 1836 CA GLU A 112 14.507 -8.980 11.096 1.00 74.42 C ATOM 1837 C GLU A 112 15.485 -9.491 10.036 1.00 74.31 C ATOM 1838 O GLU A 112 15.647 -8.872 8.986 1.00 41.51 O ATOM 1839 CB GLU A 112 13.182 -9.743 11.032 1.00 32.14 C ATOM 1840 CG GLU A 112 13.334 -11.155 11.601 1.00 65.42 C ATOM 1841 CD GLU A 112 11.968 -11.780 11.892 1.00 64.03 C ATOM 1842 OE1 GLU A 112 10.956 -11.065 11.934 1.00 61.03 O ATOM 1843 OE2 GLU A 112 11.981 -13.057 12.077 1.00 52.43 O ATOM 0 H GLU A 112 14.091 -7.254 9.984 1.00 40.22 H new ATOM 0 HA GLU A 112 14.943 -9.156 12.079 1.00 74.42 H new ATOM 0 HB2 GLU A 112 12.419 -9.202 11.592 1.00 32.14 H new ATOM 0 HB3 GLU A 112 12.840 -9.798 9.999 1.00 32.14 H new ATOM 0 HG2 GLU A 112 13.880 -11.779 10.893 1.00 65.42 H new ATOM 0 HG3 GLU A 112 13.924 -11.120 12.517 1.00 65.42 H new ATOM 1851 N ASN A 113 16.111 -10.617 10.348 1.00 54.34 N ATOM 1852 CA ASN A 113 17.068 -11.218 9.435 1.00 2.10 C ATOM 1853 C ASN A 113 16.368 -12.295 8.604 1.00 14.21 C ATOM 1854 O ASN A 113 16.687 -13.477 8.718 1.00 71.22 O ATOM 1855 CB ASN A 113 18.215 -11.882 10.199 1.00 22.03 C ATOM 1856 CG ASN A 113 19.426 -12.102 9.290 1.00 55.35 C ATOM 1857 OD1 ASN A 113 20.357 -11.315 9.252 1.00 41.25 O ATOM 1858 ND2 ASN A 113 19.360 -13.212 8.561 1.00 21.50 N ATOM 0 H ASN A 113 15.974 -11.128 11.220 1.00 54.34 H new ATOM 0 HA ASN A 113 17.467 -10.429 8.798 1.00 2.10 H new ATOM 0 HB2 ASN A 113 18.501 -11.259 11.046 1.00 22.03 H new ATOM 0 HB3 ASN A 113 17.882 -12.838 10.604 1.00 22.03 H new ATOM 0 HD21 ASN A 113 20.119 -13.448 7.921 1.00 21.50 H new ATOM 0 HD22 ASN A 113 18.551 -13.828 8.642 1.00 21.50 H new ATOM 1865 N THR A 114 15.426 -11.847 7.787 1.00 34.02 N ATOM 1866 CA THR A 114 14.677 -12.758 6.937 1.00 1.35 C ATOM 1867 C THR A 114 14.407 -12.115 5.575 1.00 33.45 C ATOM 1868 O THR A 114 14.565 -10.907 5.413 1.00 45.44 O ATOM 1869 CB THR A 114 13.403 -13.161 7.683 1.00 43.30 C ATOM 1870 OG1 THR A 114 12.936 -11.942 8.256 1.00 61.44 O ATOM 1871 CG2 THR A 114 13.690 -14.055 8.891 1.00 11.53 C ATOM 0 H THR A 114 15.164 -10.865 7.695 1.00 34.02 H new ATOM 0 HA THR A 114 15.247 -13.663 6.727 1.00 1.35 H new ATOM 0 HB THR A 114 12.731 -13.680 6.999 1.00 43.30 H new ATOM 0 HG1 THR A 114 12.111 -12.111 8.757 1.00 61.44 H new ATOM 0 HG21 THR A 114 12.753 -14.312 9.384 1.00 11.53 H new ATOM 0 HG22 THR A 114 14.187 -14.967 8.559 1.00 11.53 H new ATOM 0 HG23 THR A 114 14.335 -13.524 9.591 1.00 11.53 H new ATOM 1879 N PHE A 115 14.003 -12.953 4.632 1.00 73.12 N ATOM 1880 CA PHE A 115 13.709 -12.482 3.289 1.00 73.20 C ATOM 1881 C PHE A 115 12.203 -12.302 3.089 1.00 55.23 C ATOM 1882 O PHE A 115 11.766 -11.806 2.051 1.00 34.13 O ATOM 1883 CB PHE A 115 14.216 -13.551 2.319 1.00 34.42 C ATOM 1884 CG PHE A 115 15.679 -13.942 2.533 1.00 5.21 C ATOM 1885 CD1 PHE A 115 16.666 -13.255 1.897 1.00 62.53 C ATOM 1886 CD2 PHE A 115 15.994 -14.975 3.360 1.00 51.04 C ATOM 1887 CE1 PHE A 115 18.025 -13.618 2.095 1.00 12.22 C ATOM 1888 CE2 PHE A 115 17.353 -15.337 3.558 1.00 35.31 C ATOM 1889 CZ PHE A 115 18.339 -14.651 2.922 1.00 63.04 C ATOM 0 H PHE A 115 13.872 -13.955 4.771 1.00 73.12 H new ATOM 0 HA PHE A 115 14.189 -11.518 3.119 1.00 73.20 H new ATOM 0 HB2 PHE A 115 13.595 -14.441 2.418 1.00 34.42 H new ATOM 0 HB3 PHE A 115 14.093 -13.189 1.298 1.00 34.42 H new ATOM 0 HD1 PHE A 115 16.416 -12.434 1.242 1.00 62.53 H new ATOM 0 HD2 PHE A 115 15.211 -15.520 3.866 1.00 51.04 H new ATOM 0 HE1 PHE A 115 18.809 -13.074 1.589 1.00 12.22 H new ATOM 0 HE2 PHE A 115 17.603 -16.158 4.214 1.00 35.31 H new ATOM 0 HZ PHE A 115 19.372 -14.926 3.073 1.00 63.04 H new ATOM 1899 N GLY A 116 11.450 -12.714 4.098 1.00 21.03 N ATOM 1900 CA GLY A 116 10.002 -12.604 4.046 1.00 22.12 C ATOM 1901 C GLY A 116 9.336 -13.847 4.641 1.00 2.52 C ATOM 1902 O GLY A 116 9.752 -14.971 4.365 1.00 41.41 O ATOM 0 H GLY A 116 11.816 -13.125 4.957 1.00 21.03 H new ATOM 0 HA2 GLY A 116 9.681 -11.718 4.594 1.00 22.12 H new ATOM 0 HA3 GLY A 116 9.680 -12.474 3.013 1.00 22.12 H new TER 1906 GLY A 116