USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 786 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 4 GLN : amide:sc= 0 X(o=-0.031,f=0) USER MOD Set 1.2: A 92 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 7 TYR OH : rot 130:sc= -1.53 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0169 K(o=-0.017,f=-0.65) USER MOD Single : A 17 THR OG1 : rot 52:sc= 1.14 USER MOD Single : A 24 GLN : amide:sc= -0.634 K(o=-0.63,f=-3.9!) USER MOD Single : A 31 THR OG1 : rot 97:sc= 0.536 USER MOD Single : A 42 SER OG : rot 104:sc= 0.983 USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0123) USER MOD Single : A 52 ASN : amide:sc= -1.38 K(o=-1.4,f=-14!) USER MOD Single : A 54 GLN : amide:sc= -0.34 X(o=-0.34,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.0555 X(o=-0.056,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.3!) USER MOD Single : A 62 SER OG : rot 102:sc= 0.533 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.039 USER MOD Single : A 79 HIS : no HD1:sc=-0.00603 X(o=-0.006,f=-0.31) USER MOD Single : A 89 GLN : amide:sc= 0.196 K(o=0.2,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 22 N SER A 3 5.866 -2.304 -2.450 1.00 20.10 N ATOM 23 CA SER A 3 6.206 -3.055 -3.653 1.00 34.11 C ATOM 24 C SER A 3 7.701 -2.972 -3.941 1.00 45.11 C ATOM 25 O SER A 3 8.317 -3.950 -4.365 1.00 3.53 O ATOM 26 CB SER A 3 5.414 -2.526 -4.850 1.00 72.24 C ATOM 27 OG SER A 3 4.280 -3.336 -5.110 1.00 2.10 O ATOM 0 HA SER A 3 5.944 -4.100 -3.486 1.00 34.11 H new ATOM 0 HB2 SER A 3 5.096 -1.502 -4.656 1.00 72.24 H new ATOM 0 HB3 SER A 3 6.055 -2.499 -5.731 1.00 72.24 H new ATOM 0 HG SER A 3 3.790 -2.976 -5.878 1.00 2.10 H new ATOM 33 N GLN A 4 8.278 -1.797 -3.708 1.00 22.41 N ATOM 34 CA GLN A 4 9.702 -1.586 -3.943 1.00 14.20 C ATOM 35 C GLN A 4 10.510 -1.866 -2.680 1.00 75.22 C ATOM 36 O GLN A 4 10.571 -1.035 -1.774 1.00 44.41 O ATOM 37 CB GLN A 4 9.954 -0.154 -4.417 1.00 3.51 C ATOM 38 CG GLN A 4 11.263 0.016 -5.171 1.00 24.31 C ATOM 39 CD GLN A 4 11.177 -0.466 -6.606 1.00 12.32 C ATOM 40 OE1 GLN A 4 10.544 0.170 -7.449 1.00 52.31 O ATOM 41 NE2 GLN A 4 11.815 -1.595 -6.891 1.00 54.11 N ATOM 0 H GLN A 4 7.782 -0.978 -3.357 1.00 22.41 H new ATOM 0 HA GLN A 4 10.024 -2.281 -4.719 1.00 14.20 H new ATOM 0 HB2 GLN A 4 9.131 0.157 -5.060 1.00 3.51 H new ATOM 0 HB3 GLN A 4 9.953 0.511 -3.554 1.00 3.51 H new ATOM 0 HG2 GLN A 4 11.549 1.068 -5.162 1.00 24.31 H new ATOM 0 HG3 GLN A 4 12.050 -0.533 -4.654 1.00 24.31 H new ATOM 0 HE21 GLN A 4 12.328 -2.089 -6.161 1.00 54.11 H new ATOM 0 HE22 GLN A 4 11.793 -1.968 -7.840 1.00 54.11 H new ATOM 50 N ILE A 5 11.126 -3.042 -2.627 1.00 44.23 N ATOM 51 CA ILE A 5 11.931 -3.431 -1.476 1.00 13.23 C ATOM 52 C ILE A 5 13.275 -4.003 -1.912 1.00 43.52 C ATOM 53 O ILE A 5 13.363 -4.721 -2.909 1.00 12.33 O ATOM 54 CB ILE A 5 11.201 -4.471 -0.605 1.00 65.11 C ATOM 55 CG1 ILE A 5 9.749 -4.047 -0.375 1.00 24.45 C ATOM 56 CG2 ILE A 5 11.924 -4.651 0.722 1.00 54.12 C ATOM 57 CD1 ILE A 5 9.613 -2.736 0.367 1.00 41.11 C ATOM 0 H ILE A 5 11.083 -3.742 -3.368 1.00 44.23 H new ATOM 0 HA ILE A 5 12.097 -2.528 -0.888 1.00 13.23 H new ATOM 0 HB ILE A 5 11.201 -5.427 -1.129 1.00 65.11 H new ATOM 0 HG12 ILE A 5 9.246 -3.964 -1.339 1.00 24.45 H new ATOM 0 HG13 ILE A 5 9.235 -4.828 0.186 1.00 24.45 H new ATOM 0 HG21 ILE A 5 11.397 -5.389 1.327 1.00 54.12 H new ATOM 0 HG22 ILE A 5 12.942 -4.994 0.538 1.00 54.12 H new ATOM 0 HG23 ILE A 5 11.952 -3.700 1.253 1.00 54.12 H new ATOM 0 HD11 ILE A 5 8.557 -2.498 0.494 1.00 41.11 H new ATOM 0 HD12 ILE A 5 10.086 -2.821 1.345 1.00 41.11 H new ATOM 0 HD13 ILE A 5 10.097 -1.943 -0.203 1.00 41.11 H new ATOM 69 N HIS A 6 14.322 -3.681 -1.158 1.00 51.44 N ATOM 70 CA HIS A 6 15.663 -4.164 -1.466 1.00 22.30 C ATOM 71 C HIS A 6 16.402 -4.565 -0.192 1.00 75.03 C ATOM 72 O HIS A 6 16.121 -4.047 0.889 1.00 74.22 O ATOM 73 CB HIS A 6 16.456 -3.092 -2.213 1.00 42.40 C ATOM 74 CG HIS A 6 16.515 -1.780 -1.493 1.00 13.40 C ATOM 75 ND1 HIS A 6 15.500 -0.847 -1.545 1.00 5.22 N ATOM 76 CD2 HIS A 6 17.473 -1.247 -0.699 1.00 62.34 C ATOM 77 CE1 HIS A 6 15.833 0.203 -0.816 1.00 4.33 C ATOM 78 NE2 HIS A 6 17.026 -0.015 -0.291 1.00 51.34 N ATOM 0 H HIS A 6 14.267 -3.088 -0.330 1.00 51.44 H new ATOM 0 HA HIS A 6 15.568 -5.044 -2.103 1.00 22.30 H new ATOM 0 HB2 HIS A 6 17.471 -3.452 -2.379 1.00 42.40 H new ATOM 0 HB3 HIS A 6 16.008 -2.938 -3.195 1.00 42.40 H new ATOM 0 HD2 HIS A 6 18.414 -1.706 -0.435 1.00 62.34 H new ATOM 0 HE1 HIS A 6 15.232 1.089 -0.673 1.00 4.33 H new ATOM 0 HE2 HIS A 6 17.532 0.628 0.318 1.00 51.34 H new ATOM 86 N TYR A 7 17.345 -5.490 -0.328 1.00 3.23 N ATOM 87 CA TYR A 7 18.122 -5.962 0.813 1.00 75.34 C ATOM 88 C TYR A 7 19.615 -5.948 0.499 1.00 55.31 C ATOM 89 O TYR A 7 20.018 -5.723 -0.642 1.00 25.20 O ATOM 90 CB TYR A 7 17.685 -7.375 1.203 1.00 31.31 C ATOM 91 CG TYR A 7 16.186 -7.572 1.185 1.00 31.54 C ATOM 92 CD1 TYR A 7 15.339 -6.673 1.822 1.00 64.40 C ATOM 93 CD2 TYR A 7 15.616 -8.658 0.531 1.00 42.20 C ATOM 94 CE1 TYR A 7 13.969 -6.850 1.809 1.00 64.21 C ATOM 95 CE2 TYR A 7 14.247 -8.842 0.511 1.00 1.24 C ATOM 96 CZ TYR A 7 13.428 -7.936 1.152 1.00 1.32 C ATOM 97 OH TYR A 7 12.064 -8.115 1.136 1.00 52.43 O ATOM 0 H TYR A 7 17.590 -5.928 -1.216 1.00 3.23 H new ATOM 0 HA TYR A 7 17.939 -5.287 1.649 1.00 75.34 H new ATOM 0 HB2 TYR A 7 18.145 -8.090 0.521 1.00 31.31 H new ATOM 0 HB3 TYR A 7 18.061 -7.600 2.201 1.00 31.31 H new ATOM 0 HD1 TYR A 7 15.759 -5.821 2.336 1.00 64.40 H new ATOM 0 HD2 TYR A 7 16.254 -9.370 0.030 1.00 42.20 H new ATOM 0 HE1 TYR A 7 13.325 -6.142 2.310 1.00 64.21 H new ATOM 0 HE2 TYR A 7 13.820 -9.690 -0.004 1.00 1.24 H new ATOM 0 HH TYR A 7 11.765 -8.270 0.216 1.00 52.43 H new ATOM 107 N SER A 8 20.430 -6.190 1.521 1.00 54.43 N ATOM 108 CA SER A 8 21.878 -6.201 1.357 1.00 64.44 C ATOM 109 C SER A 8 22.471 -7.516 1.856 1.00 0.40 C ATOM 110 O SER A 8 22.092 -8.017 2.915 1.00 4.32 O ATOM 111 CB SER A 8 22.508 -5.027 2.108 1.00 13.22 C ATOM 112 OG SER A 8 23.402 -4.309 1.276 1.00 52.23 O ATOM 0 H SER A 8 20.112 -6.381 2.471 1.00 54.43 H new ATOM 0 HA SER A 8 22.099 -6.102 0.294 1.00 64.44 H new ATOM 0 HB2 SER A 8 21.725 -4.359 2.467 1.00 13.22 H new ATOM 0 HB3 SER A 8 23.040 -5.396 2.985 1.00 13.22 H new ATOM 0 HG SER A 8 23.790 -3.563 1.779 1.00 52.23 H new ATOM 118 N ILE A 9 23.402 -8.068 1.086 1.00 42.12 N ATOM 119 CA ILE A 9 24.048 -9.323 1.450 1.00 43.32 C ATOM 120 C ILE A 9 25.485 -9.369 0.941 1.00 2.14 C ATOM 121 O ILE A 9 25.763 -9.119 -0.232 1.00 22.13 O ATOM 122 CB ILE A 9 23.279 -10.535 0.892 1.00 40.32 C ATOM 123 CG1 ILE A 9 24.155 -11.788 0.939 1.00 31.35 C ATOM 124 CG2 ILE A 9 22.816 -10.259 -0.531 1.00 3.10 C ATOM 125 CD1 ILE A 9 24.851 -12.089 -0.369 1.00 73.35 C ATOM 0 H ILE A 9 23.726 -7.666 0.206 1.00 42.12 H new ATOM 0 HA ILE A 9 24.048 -9.373 2.539 1.00 43.32 H new ATOM 0 HB ILE A 9 22.400 -10.706 1.513 1.00 40.32 H new ATOM 0 HG12 ILE A 9 24.905 -11.668 1.721 1.00 31.35 H new ATOM 0 HG13 ILE A 9 23.538 -12.642 1.218 1.00 31.35 H new ATOM 0 HG21 ILE A 9 22.274 -11.125 -0.912 1.00 3.10 H new ATOM 0 HG22 ILE A 9 22.160 -9.389 -0.538 1.00 3.10 H new ATOM 0 HG23 ILE A 9 23.682 -10.066 -1.164 1.00 3.10 H new ATOM 0 HD11 ILE A 9 25.454 -12.991 -0.261 1.00 73.35 H new ATOM 0 HD12 ILE A 9 24.107 -12.242 -1.151 1.00 73.35 H new ATOM 0 HD13 ILE A 9 25.495 -11.252 -0.640 1.00 73.35 H new ATOM 137 N PRO A 10 26.422 -9.698 1.843 1.00 13.15 N ATOM 138 CA PRO A 10 27.846 -9.787 1.509 1.00 22.30 C ATOM 139 C PRO A 10 28.156 -10.978 0.608 1.00 44.42 C ATOM 140 O PRO A 10 27.704 -12.093 0.861 1.00 22.54 O ATOM 141 CB PRO A 10 28.521 -9.959 2.872 1.00 14.25 C ATOM 142 CG PRO A 10 27.473 -10.567 3.739 1.00 31.44 C ATOM 143 CD PRO A 10 26.162 -10.008 3.259 1.00 21.43 C ATOM 0 HA PRO A 10 28.190 -8.913 0.955 1.00 22.30 H new ATOM 0 HB2 PRO A 10 29.398 -10.602 2.801 1.00 14.25 H new ATOM 0 HB3 PRO A 10 28.858 -9.002 3.270 1.00 14.25 H new ATOM 0 HG2 PRO A 10 27.485 -11.654 3.662 1.00 31.44 H new ATOM 0 HG3 PRO A 10 27.642 -10.320 4.787 1.00 31.44 H new ATOM 0 HD2 PRO A 10 25.353 -10.729 3.370 1.00 21.43 H new ATOM 0 HD3 PRO A 10 25.875 -9.118 3.819 1.00 21.43 H new ATOM 151 N GLU A 11 28.931 -10.731 -0.444 1.00 73.55 N ATOM 152 CA GLU A 11 29.300 -11.784 -1.383 1.00 23.50 C ATOM 153 C GLU A 11 29.811 -13.018 -0.643 1.00 51.24 C ATOM 154 O GLU A 11 30.205 -12.937 0.520 1.00 72.35 O ATOM 155 CB GLU A 11 30.369 -11.280 -2.355 1.00 23.13 C ATOM 156 CG GLU A 11 29.810 -10.822 -3.691 1.00 73.41 C ATOM 157 CD GLU A 11 30.673 -11.250 -4.862 1.00 41.52 C ATOM 158 OE1 GLU A 11 31.869 -10.890 -4.881 1.00 54.40 O ATOM 159 OE2 GLU A 11 30.153 -11.944 -5.760 1.00 35.41 O ATOM 0 H GLU A 11 29.315 -9.813 -0.667 1.00 73.55 H new ATOM 0 HA GLU A 11 28.409 -12.062 -1.946 1.00 23.50 H new ATOM 0 HB2 GLU A 11 30.907 -10.452 -1.893 1.00 23.13 H new ATOM 0 HB3 GLU A 11 31.095 -12.075 -2.528 1.00 23.13 H new ATOM 0 HG2 GLU A 11 28.806 -11.226 -3.818 1.00 73.41 H new ATOM 0 HG3 GLU A 11 29.719 -9.736 -3.689 1.00 73.41 H new ATOM 166 N GLU A 12 29.800 -14.158 -1.327 1.00 53.45 N ATOM 167 CA GLU A 12 30.260 -15.408 -0.735 1.00 2.11 C ATOM 168 C GLU A 12 29.364 -15.821 0.430 1.00 44.55 C ATOM 169 O GLU A 12 29.792 -16.543 1.330 1.00 53.34 O ATOM 170 CB GLU A 12 31.707 -15.269 -0.255 1.00 54.54 C ATOM 171 CG GLU A 12 32.652 -16.289 -0.867 1.00 35.32 C ATOM 172 CD GLU A 12 34.102 -15.853 -0.802 1.00 64.24 C ATOM 173 OE1 GLU A 12 34.401 -14.896 -0.058 1.00 11.12 O ATOM 174 OE2 GLU A 12 34.939 -16.468 -1.496 1.00 72.30 O ATOM 0 H GLU A 12 29.478 -14.241 -2.291 1.00 53.45 H new ATOM 0 HA GLU A 12 30.211 -16.182 -1.501 1.00 2.11 H new ATOM 0 HB2 GLU A 12 32.065 -14.267 -0.492 1.00 54.54 H new ATOM 0 HB3 GLU A 12 31.732 -15.368 0.830 1.00 54.54 H new ATOM 0 HG2 GLU A 12 32.539 -17.241 -0.348 1.00 35.32 H new ATOM 0 HG3 GLU A 12 32.374 -16.458 -1.907 1.00 35.32 H new ATOM 181 N ALA A 13 28.120 -15.356 0.404 1.00 14.43 N ATOM 182 CA ALA A 13 27.163 -15.677 1.456 1.00 52.21 C ATOM 183 C ALA A 13 26.729 -17.137 1.376 1.00 11.52 C ATOM 184 O ALA A 13 26.205 -17.585 0.356 1.00 5.10 O ATOM 185 CB ALA A 13 25.953 -14.759 1.367 1.00 54.13 C ATOM 0 H ALA A 13 27.751 -14.756 -0.334 1.00 14.43 H new ATOM 0 HA ALA A 13 27.652 -15.523 2.418 1.00 52.21 H new ATOM 0 HB1 ALA A 13 25.247 -15.010 2.158 1.00 54.13 H new ATOM 0 HB2 ALA A 13 26.273 -13.723 1.481 1.00 54.13 H new ATOM 0 HB3 ALA A 13 25.471 -14.885 0.397 1.00 54.13 H new ATOM 191 N LYS A 14 26.950 -17.875 2.459 1.00 43.43 N ATOM 192 CA LYS A 14 26.582 -19.284 2.513 1.00 61.45 C ATOM 193 C LYS A 14 25.093 -19.447 2.802 1.00 63.20 C ATOM 194 O LYS A 14 24.439 -18.521 3.282 1.00 1.12 O ATOM 195 CB LYS A 14 27.403 -20.006 3.584 1.00 74.54 C ATOM 196 CG LYS A 14 28.890 -19.707 3.515 1.00 1.43 C ATOM 197 CD LYS A 14 29.706 -20.764 4.240 1.00 70.12 C ATOM 198 CE LYS A 14 31.195 -20.595 3.978 1.00 32.43 C ATOM 199 NZ LYS A 14 31.841 -21.882 3.599 1.00 75.53 N ATOM 0 H LYS A 14 27.383 -17.520 3.312 1.00 43.43 H new ATOM 0 HA LYS A 14 26.796 -19.727 1.540 1.00 61.45 H new ATOM 0 HB2 LYS A 14 27.029 -19.723 4.568 1.00 74.54 H new ATOM 0 HB3 LYS A 14 27.252 -21.081 3.482 1.00 74.54 H new ATOM 0 HG2 LYS A 14 29.204 -19.656 2.472 1.00 1.43 H new ATOM 0 HG3 LYS A 14 29.086 -18.729 3.955 1.00 1.43 H new ATOM 0 HD2 LYS A 14 29.515 -20.702 5.311 1.00 70.12 H new ATOM 0 HD3 LYS A 14 29.389 -21.755 3.917 1.00 70.12 H new ATOM 0 HE2 LYS A 14 31.343 -19.866 3.181 1.00 32.43 H new ATOM 0 HE3 LYS A 14 31.678 -20.195 4.870 1.00 32.43 H new ATOM 0 HZ1 LYS A 14 32.855 -21.725 3.429 1.00 75.53 H new ATOM 0 HZ2 LYS A 14 31.722 -22.570 4.369 1.00 75.53 H new ATOM 0 HZ3 LYS A 14 31.398 -22.251 2.734 1.00 75.53 H new ATOM 213 N HIS A 15 24.564 -20.631 2.508 1.00 12.52 N ATOM 214 CA HIS A 15 23.152 -20.915 2.739 1.00 10.02 C ATOM 215 C HIS A 15 22.756 -20.570 4.172 1.00 73.33 C ATOM 216 O HIS A 15 23.254 -21.168 5.125 1.00 53.41 O ATOM 217 CB HIS A 15 22.854 -22.387 2.455 1.00 34.44 C ATOM 218 CG HIS A 15 23.261 -22.827 1.083 1.00 72.31 C ATOM 219 ND1 HIS A 15 24.509 -23.338 0.796 1.00 71.23 N ATOM 220 CD2 HIS A 15 22.576 -22.832 -0.085 1.00 22.12 C ATOM 221 CE1 HIS A 15 24.575 -23.637 -0.489 1.00 41.45 C ATOM 222 NE2 HIS A 15 23.415 -23.339 -1.046 1.00 71.45 N ATOM 0 H HIS A 15 25.091 -21.408 2.110 1.00 12.52 H new ATOM 0 HA HIS A 15 22.566 -20.296 2.060 1.00 10.02 H new ATOM 0 HB2 HIS A 15 23.369 -23.002 3.193 1.00 34.44 H new ATOM 0 HB3 HIS A 15 21.786 -22.564 2.582 1.00 34.44 H new ATOM 0 HD2 HIS A 15 21.559 -22.499 -0.233 1.00 22.12 H new ATOM 0 HE1 HIS A 15 25.432 -24.054 -0.998 1.00 41.45 H new ATOM 0 HE2 HIS A 15 23.181 -23.465 -2.031 1.00 71.45 H new ATOM 230 N GLY A 16 21.856 -19.602 4.315 1.00 2.52 N ATOM 231 CA GLY A 16 21.409 -19.194 5.634 1.00 3.33 C ATOM 232 C GLY A 16 21.989 -17.858 6.056 1.00 51.15 C ATOM 233 O GLY A 16 21.834 -17.439 7.203 1.00 4.03 O ATOM 0 H GLY A 16 21.429 -19.093 3.541 1.00 2.52 H new ATOM 0 HA2 GLY A 16 20.321 -19.133 5.643 1.00 3.33 H new ATOM 0 HA3 GLY A 16 21.691 -19.955 6.361 1.00 3.33 H new ATOM 237 N THR A 17 22.660 -17.186 5.125 1.00 25.04 N ATOM 238 CA THR A 17 23.268 -15.891 5.407 1.00 72.44 C ATOM 239 C THR A 17 22.213 -14.793 5.479 1.00 71.30 C ATOM 240 O THR A 17 21.248 -14.794 4.714 1.00 2.00 O ATOM 241 CB THR A 17 24.311 -15.516 4.337 1.00 13.10 C ATOM 242 OG1 THR A 17 25.427 -16.410 4.406 1.00 72.42 O ATOM 243 CG2 THR A 17 24.789 -14.084 4.527 1.00 62.42 C ATOM 0 H THR A 17 22.796 -17.517 4.170 1.00 25.04 H new ATOM 0 HA THR A 17 23.765 -15.978 6.373 1.00 72.44 H new ATOM 0 HB THR A 17 23.840 -15.599 3.357 1.00 13.10 H new ATOM 0 HG1 THR A 17 25.107 -17.336 4.377 1.00 72.42 H new ATOM 0 HG21 THR A 17 25.525 -13.841 3.760 1.00 62.42 H new ATOM 0 HG22 THR A 17 23.941 -13.404 4.445 1.00 62.42 H new ATOM 0 HG23 THR A 17 25.244 -13.980 5.512 1.00 62.42 H new ATOM 251 N PHE A 18 22.403 -13.857 6.403 1.00 54.03 N ATOM 252 CA PHE A 18 21.467 -12.752 6.575 1.00 75.21 C ATOM 253 C PHE A 18 21.417 -11.881 5.323 1.00 21.01 C ATOM 254 O PHE A 18 22.439 -11.639 4.681 1.00 40.03 O ATOM 255 CB PHE A 18 21.863 -11.904 7.785 1.00 51.10 C ATOM 256 CG PHE A 18 21.235 -10.539 7.792 1.00 30.52 C ATOM 257 CD1 PHE A 18 19.857 -10.397 7.826 1.00 2.32 C ATOM 258 CD2 PHE A 18 22.022 -9.400 7.765 1.00 4.34 C ATOM 259 CE1 PHE A 18 19.277 -9.142 7.832 1.00 31.30 C ATOM 260 CE2 PHE A 18 21.448 -8.143 7.772 1.00 52.44 C ATOM 261 CZ PHE A 18 20.073 -8.014 7.806 1.00 41.11 C ATOM 0 H PHE A 18 23.196 -13.842 7.044 1.00 54.03 H new ATOM 0 HA PHE A 18 20.475 -13.172 6.743 1.00 75.21 H new ATOM 0 HB2 PHE A 18 21.579 -12.430 8.696 1.00 51.10 H new ATOM 0 HB3 PHE A 18 22.948 -11.796 7.804 1.00 51.10 H new ATOM 0 HD1 PHE A 18 19.230 -11.276 7.848 1.00 2.32 H new ATOM 0 HD2 PHE A 18 23.097 -9.495 7.738 1.00 4.34 H new ATOM 0 HE1 PHE A 18 18.202 -9.044 7.857 1.00 31.30 H new ATOM 0 HE2 PHE A 18 22.073 -7.263 7.751 1.00 52.44 H new ATOM 0 HZ PHE A 18 19.622 -7.033 7.812 1.00 41.11 H new ATOM 271 N VAL A 19 20.221 -11.413 4.982 1.00 13.10 N ATOM 272 CA VAL A 19 20.036 -10.568 3.808 1.00 65.31 C ATOM 273 C VAL A 19 19.230 -9.320 4.150 1.00 61.44 C ATOM 274 O VAL A 19 19.594 -8.209 3.767 1.00 72.32 O ATOM 275 CB VAL A 19 19.326 -11.331 2.674 1.00 51.21 C ATOM 276 CG1 VAL A 19 19.260 -10.478 1.416 1.00 3.11 C ATOM 277 CG2 VAL A 19 20.030 -12.650 2.397 1.00 61.50 C ATOM 0 H VAL A 19 19.365 -11.605 5.502 1.00 13.10 H new ATOM 0 HA VAL A 19 21.030 -10.273 3.470 1.00 65.31 H new ATOM 0 HB VAL A 19 18.306 -11.550 2.990 1.00 51.21 H new ATOM 0 HG11 VAL A 19 18.755 -11.034 0.626 1.00 3.11 H new ATOM 0 HG12 VAL A 19 18.707 -9.562 1.626 1.00 3.11 H new ATOM 0 HG13 VAL A 19 20.270 -10.226 1.094 1.00 3.11 H new ATOM 0 HG21 VAL A 19 19.515 -13.176 1.593 1.00 61.50 H new ATOM 0 HG22 VAL A 19 21.061 -12.457 2.102 1.00 61.50 H new ATOM 0 HG23 VAL A 19 20.019 -13.264 3.297 1.00 61.50 H new ATOM 287 N GLY A 20 18.132 -9.512 4.874 1.00 74.10 N ATOM 288 CA GLY A 20 17.290 -8.393 5.256 1.00 63.11 C ATOM 289 C GLY A 20 15.851 -8.805 5.496 1.00 4.11 C ATOM 290 O GLY A 20 15.244 -9.476 4.662 1.00 34.53 O ATOM 0 H GLY A 20 17.810 -10.422 5.203 1.00 74.10 H new ATOM 0 HA2 GLY A 20 17.689 -7.934 6.161 1.00 63.11 H new ATOM 0 HA3 GLY A 20 17.322 -7.635 4.474 1.00 63.11 H new ATOM 294 N ARG A 21 15.305 -8.403 6.639 1.00 25.33 N ATOM 295 CA ARG A 21 13.930 -8.737 6.988 1.00 72.41 C ATOM 296 C ARG A 21 12.982 -8.409 5.838 1.00 44.12 C ATOM 297 O ARG A 21 12.637 -7.248 5.618 1.00 52.32 O ATOM 298 CB ARG A 21 13.502 -7.981 8.247 1.00 42.11 C ATOM 299 CG ARG A 21 13.783 -6.488 8.186 1.00 70.44 C ATOM 300 CD ARG A 21 13.769 -5.862 9.571 1.00 50.51 C ATOM 301 NE ARG A 21 15.108 -5.481 10.013 1.00 31.32 N ATOM 302 CZ ARG A 21 15.341 -4.689 11.054 1.00 52.25 C ATOM 303 NH1 ARG A 21 14.330 -4.196 11.755 1.00 14.20 N ATOM 304 NH2 ARG A 21 16.588 -4.388 11.394 1.00 34.53 N ATOM 0 H ARG A 21 15.794 -7.845 7.339 1.00 25.33 H new ATOM 0 HA ARG A 21 13.882 -9.808 7.182 1.00 72.41 H new ATOM 0 HB2 ARG A 21 12.435 -8.135 8.408 1.00 42.11 H new ATOM 0 HB3 ARG A 21 14.019 -8.405 9.108 1.00 42.11 H new ATOM 0 HG2 ARG A 21 14.753 -6.318 7.718 1.00 70.44 H new ATOM 0 HG3 ARG A 21 13.037 -6.001 7.558 1.00 70.44 H new ATOM 0 HD2 ARG A 21 13.125 -4.982 9.565 1.00 50.51 H new ATOM 0 HD3 ARG A 21 13.339 -6.567 10.283 1.00 50.51 H new ATOM 0 HE ARG A 21 15.908 -5.843 9.494 1.00 31.32 H new ATOM 0 HH11 ARG A 21 13.370 -4.424 11.496 1.00 14.20 H new ATOM 0 HH12 ARG A 21 14.512 -3.588 12.554 1.00 14.20 H new ATOM 0 HH21 ARG A 21 17.368 -4.765 10.856 1.00 34.53 H new ATOM 0 HH22 ARG A 21 16.766 -3.780 12.193 1.00 34.53 H new ATOM 318 N ILE A 22 12.567 -9.439 5.108 1.00 41.52 N ATOM 319 CA ILE A 22 11.660 -9.259 3.981 1.00 33.03 C ATOM 320 C ILE A 22 10.251 -8.920 4.458 1.00 25.33 C ATOM 321 O ILE A 22 9.557 -8.108 3.848 1.00 2.23 O ATOM 322 CB ILE A 22 11.601 -10.520 3.099 1.00 42.00 C ATOM 323 CG1 ILE A 22 10.482 -10.393 2.063 1.00 3.21 C ATOM 324 CG2 ILE A 22 11.397 -11.759 3.958 1.00 13.33 C ATOM 325 CD1 ILE A 22 10.816 -11.028 0.732 1.00 65.04 C ATOM 0 H ILE A 22 12.844 -10.406 5.277 1.00 41.52 H new ATOM 0 HA ILE A 22 12.051 -8.430 3.391 1.00 33.03 H new ATOM 0 HB ILE A 22 12.549 -10.620 2.571 1.00 42.00 H new ATOM 0 HG12 ILE A 22 9.577 -10.854 2.459 1.00 3.21 H new ATOM 0 HG13 ILE A 22 10.260 -9.337 1.907 1.00 3.21 H new ATOM 0 HG21 ILE A 22 11.357 -12.642 3.320 1.00 13.33 H new ATOM 0 HG22 ILE A 22 12.225 -11.856 4.660 1.00 13.33 H new ATOM 0 HG23 ILE A 22 10.462 -11.669 4.511 1.00 13.33 H new ATOM 0 HD11 ILE A 22 9.978 -10.900 0.047 1.00 65.04 H new ATOM 0 HD12 ILE A 22 11.703 -10.551 0.314 1.00 65.04 H new ATOM 0 HD13 ILE A 22 11.009 -12.091 0.874 1.00 65.04 H new ATOM 337 N ALA A 23 9.837 -9.548 5.554 1.00 11.21 N ATOM 338 CA ALA A 23 8.513 -9.310 6.116 1.00 61.11 C ATOM 339 C ALA A 23 8.417 -7.915 6.725 1.00 64.24 C ATOM 340 O ALA A 23 7.508 -7.150 6.405 1.00 71.32 O ATOM 341 CB ALA A 23 8.185 -10.367 7.160 1.00 61.32 C ATOM 0 H ALA A 23 10.399 -10.225 6.070 1.00 11.21 H new ATOM 0 HA ALA A 23 7.785 -9.375 5.307 1.00 61.11 H new ATOM 0 HB1 ALA A 23 7.194 -10.177 7.571 1.00 61.32 H new ATOM 0 HB2 ALA A 23 8.203 -11.354 6.697 1.00 61.32 H new ATOM 0 HB3 ALA A 23 8.923 -10.329 7.961 1.00 61.32 H new ATOM 347 N GLN A 24 9.361 -7.592 7.603 1.00 32.12 N ATOM 348 CA GLN A 24 9.381 -6.289 8.257 1.00 32.13 C ATOM 349 C GLN A 24 9.356 -5.163 7.229 1.00 72.21 C ATOM 350 O GLN A 24 8.607 -4.196 7.371 1.00 64.02 O ATOM 351 CB GLN A 24 10.621 -6.159 9.144 1.00 54.23 C ATOM 352 CG GLN A 24 10.354 -5.450 10.462 1.00 23.41 C ATOM 353 CD GLN A 24 10.133 -3.961 10.290 1.00 53.43 C ATOM 354 OE1 GLN A 24 10.417 -3.397 9.232 1.00 22.25 O ATOM 355 NE2 GLN A 24 9.622 -3.313 11.331 1.00 71.53 N ATOM 0 H GLN A 24 10.121 -8.214 7.878 1.00 32.12 H new ATOM 0 HA GLN A 24 8.489 -6.209 8.878 1.00 32.13 H new ATOM 0 HB2 GLN A 24 11.016 -7.154 9.350 1.00 54.23 H new ATOM 0 HB3 GLN A 24 11.393 -5.616 8.598 1.00 54.23 H new ATOM 0 HG2 GLN A 24 9.477 -5.891 10.936 1.00 23.41 H new ATOM 0 HG3 GLN A 24 11.196 -5.613 11.135 1.00 23.41 H new ATOM 0 HE21 GLN A 24 9.401 -3.819 12.189 1.00 71.53 H new ATOM 0 HE22 GLN A 24 9.450 -2.309 11.273 1.00 71.53 H new ATOM 364 N ASP A 25 10.178 -5.296 6.194 1.00 5.53 N ATOM 365 CA ASP A 25 10.250 -4.289 5.141 1.00 24.50 C ATOM 366 C ASP A 25 8.978 -4.291 4.300 1.00 34.12 C ATOM 367 O ASP A 25 8.685 -3.324 3.595 1.00 23.31 O ATOM 368 CB ASP A 25 11.467 -4.541 4.248 1.00 34.03 C ATOM 369 CG ASP A 25 12.773 -4.215 4.945 1.00 62.43 C ATOM 370 OD1 ASP A 25 12.731 -3.796 6.120 1.00 31.15 O ATOM 371 OD2 ASP A 25 13.838 -4.381 4.314 1.00 2.32 O ATOM 0 H ASP A 25 10.804 -6.091 6.061 1.00 5.53 H new ATOM 0 HA ASP A 25 10.351 -3.312 5.613 1.00 24.50 H new ATOM 0 HB2 ASP A 25 11.476 -5.586 3.936 1.00 34.03 H new ATOM 0 HB3 ASP A 25 11.381 -3.939 3.343 1.00 34.03 H new ATOM 376 N LEU A 26 8.224 -5.383 4.379 1.00 44.55 N ATOM 377 CA LEU A 26 6.983 -5.511 3.624 1.00 55.11 C ATOM 378 C LEU A 26 5.821 -4.868 4.374 1.00 15.30 C ATOM 379 O LEU A 26 4.958 -4.229 3.773 1.00 1.40 O ATOM 380 CB LEU A 26 6.677 -6.985 3.354 1.00 33.22 C ATOM 381 CG LEU A 26 6.853 -7.454 1.909 1.00 14.23 C ATOM 382 CD1 LEU A 26 8.274 -7.197 1.434 1.00 22.12 C ATOM 383 CD2 LEU A 26 6.504 -8.929 1.781 1.00 74.40 C ATOM 0 H LEU A 26 8.451 -6.192 4.958 1.00 44.55 H new ATOM 0 HA LEU A 26 7.110 -4.993 2.674 1.00 55.11 H new ATOM 0 HB2 LEU A 26 7.319 -7.591 3.992 1.00 33.22 H new ATOM 0 HB3 LEU A 26 5.649 -7.183 3.656 1.00 33.22 H new ATOM 0 HG LEU A 26 6.172 -6.884 1.277 1.00 14.23 H new ATOM 0 HD11 LEU A 26 8.380 -7.537 0.404 1.00 22.12 H new ATOM 0 HD12 LEU A 26 8.488 -6.130 1.488 1.00 22.12 H new ATOM 0 HD13 LEU A 26 8.974 -7.740 2.069 1.00 22.12 H new ATOM 0 HD21 LEU A 26 6.635 -9.245 0.746 1.00 74.40 H new ATOM 0 HD22 LEU A 26 7.159 -9.515 2.425 1.00 74.40 H new ATOM 0 HD23 LEU A 26 5.467 -9.085 2.080 1.00 74.40 H new ATOM 395 N GLY A 27 5.806 -5.040 5.692 1.00 11.04 N ATOM 396 CA GLY A 27 4.747 -4.469 6.503 1.00 12.45 C ATOM 397 C GLY A 27 3.678 -5.483 6.860 1.00 5.15 C ATOM 398 O GLY A 27 2.515 -5.128 7.056 1.00 23.01 O ATOM 0 H GLY A 27 6.509 -5.565 6.213 1.00 11.04 H new ATOM 0 HA2 GLY A 27 5.175 -4.060 7.418 1.00 12.45 H new ATOM 0 HA3 GLY A 27 4.290 -3.638 5.966 1.00 12.45 H new ATOM 402 N LEU A 28 4.072 -6.749 6.944 1.00 33.03 N ATOM 403 CA LEU A 28 3.139 -7.819 7.279 1.00 75.44 C ATOM 404 C LEU A 28 3.692 -8.694 8.399 1.00 13.34 C ATOM 405 O LEU A 28 4.864 -9.067 8.386 1.00 20.15 O ATOM 406 CB LEU A 28 2.850 -8.675 6.044 1.00 71.21 C ATOM 407 CG LEU A 28 3.665 -8.345 4.793 1.00 22.31 C ATOM 408 CD1 LEU A 28 3.697 -9.536 3.847 1.00 13.32 C ATOM 409 CD2 LEU A 28 3.095 -7.120 4.093 1.00 63.31 C ATOM 0 H LEU A 28 5.030 -7.059 6.785 1.00 33.03 H new ATOM 0 HA LEU A 28 2.211 -7.363 7.624 1.00 75.44 H new ATOM 0 HB2 LEU A 28 3.024 -9.720 6.302 1.00 71.21 H new ATOM 0 HB3 LEU A 28 1.792 -8.579 5.800 1.00 71.21 H new ATOM 0 HG LEU A 28 4.688 -8.122 5.097 1.00 22.31 H new ATOM 0 HD11 LEU A 28 4.281 -9.283 2.963 1.00 13.32 H new ATOM 0 HD12 LEU A 28 4.152 -10.389 4.351 1.00 13.32 H new ATOM 0 HD13 LEU A 28 2.680 -9.791 3.549 1.00 13.32 H new ATOM 0 HD21 LEU A 28 3.687 -6.900 3.205 1.00 63.31 H new ATOM 0 HD22 LEU A 28 2.063 -7.315 3.802 1.00 63.31 H new ATOM 0 HD23 LEU A 28 3.126 -6.267 4.770 1.00 63.31 H new ATOM 421 N GLU A 29 2.839 -9.018 9.366 1.00 14.32 N ATOM 422 CA GLU A 29 3.243 -9.849 10.494 1.00 72.54 C ATOM 423 C GLU A 29 3.716 -11.220 10.017 1.00 43.53 C ATOM 424 O GLU A 29 3.405 -11.644 8.903 1.00 51.31 O ATOM 425 CB GLU A 29 2.082 -10.013 11.477 1.00 3.24 C ATOM 426 CG GLU A 29 0.794 -10.485 10.826 1.00 74.05 C ATOM 427 CD GLU A 29 -0.332 -10.670 11.825 1.00 62.13 C ATOM 428 OE1 GLU A 29 -0.182 -11.506 12.740 1.00 60.31 O ATOM 429 OE2 GLU A 29 -1.363 -9.978 11.691 1.00 2.11 O ATOM 0 H GLU A 29 1.864 -8.718 9.391 1.00 14.32 H new ATOM 0 HA GLU A 29 4.071 -9.353 11.000 1.00 72.54 H new ATOM 0 HB2 GLU A 29 2.370 -10.725 12.250 1.00 3.24 H new ATOM 0 HB3 GLU A 29 1.900 -9.060 11.973 1.00 3.24 H new ATOM 0 HG2 GLU A 29 0.488 -9.763 10.069 1.00 74.05 H new ATOM 0 HG3 GLU A 29 0.976 -11.428 10.311 1.00 74.05 H new ATOM 436 N LEU A 30 4.471 -11.907 10.867 1.00 41.22 N ATOM 437 CA LEU A 30 4.989 -13.229 10.533 1.00 30.24 C ATOM 438 C LEU A 30 3.864 -14.258 10.486 1.00 62.42 C ATOM 439 O LEU A 30 4.023 -15.343 9.925 1.00 23.31 O ATOM 440 CB LEU A 30 6.045 -13.657 11.554 1.00 34.43 C ATOM 441 CG LEU A 30 7.499 -13.579 11.089 1.00 70.41 C ATOM 442 CD1 LEU A 30 7.841 -14.769 10.205 1.00 1.11 C ATOM 443 CD2 LEU A 30 7.753 -12.273 10.351 1.00 64.45 C ATOM 0 H LEU A 30 4.738 -11.571 11.792 1.00 41.22 H new ATOM 0 HA LEU A 30 5.448 -13.174 9.546 1.00 30.24 H new ATOM 0 HB2 LEU A 30 5.935 -13.036 12.443 1.00 34.43 H new ATOM 0 HB3 LEU A 30 5.835 -14.683 11.855 1.00 34.43 H new ATOM 0 HG LEU A 30 8.144 -13.608 11.967 1.00 70.41 H new ATOM 0 HD11 LEU A 30 8.880 -14.697 9.883 1.00 1.11 H new ATOM 0 HD12 LEU A 30 7.698 -15.692 10.767 1.00 1.11 H new ATOM 0 HD13 LEU A 30 7.190 -14.772 9.331 1.00 1.11 H new ATOM 0 HD21 LEU A 30 8.793 -12.234 10.027 1.00 64.45 H new ATOM 0 HD22 LEU A 30 7.099 -12.214 9.481 1.00 64.45 H new ATOM 0 HD23 LEU A 30 7.549 -11.434 11.016 1.00 64.45 H new ATOM 455 N THR A 31 2.725 -13.910 11.076 1.00 30.43 N ATOM 456 CA THR A 31 1.573 -14.803 11.101 1.00 40.24 C ATOM 457 C THR A 31 0.612 -14.491 9.959 1.00 31.12 C ATOM 458 O THR A 31 -0.451 -15.101 9.848 1.00 51.45 O ATOM 459 CB THR A 31 0.814 -14.704 12.437 1.00 11.02 C ATOM 460 OG1 THR A 31 1.511 -13.831 13.333 1.00 21.22 O ATOM 461 CG2 THR A 31 0.660 -16.076 13.075 1.00 23.41 C ATOM 0 H THR A 31 2.575 -13.016 11.543 1.00 30.43 H new ATOM 0 HA THR A 31 1.956 -15.817 10.984 1.00 40.24 H new ATOM 0 HB THR A 31 -0.179 -14.301 12.236 1.00 11.02 H new ATOM 0 HG1 THR A 31 1.113 -12.936 13.294 1.00 21.22 H new ATOM 0 HG21 THR A 31 0.121 -15.981 14.017 1.00 23.41 H new ATOM 0 HG22 THR A 31 0.103 -16.729 12.403 1.00 23.41 H new ATOM 0 HG23 THR A 31 1.645 -16.503 13.262 1.00 23.41 H new ATOM 469 N GLU A 32 0.993 -13.539 9.114 1.00 44.24 N ATOM 470 CA GLU A 32 0.164 -13.147 7.980 1.00 34.04 C ATOM 471 C GLU A 32 0.628 -13.838 6.702 1.00 74.35 C ATOM 472 O GLU A 32 -0.133 -13.968 5.741 1.00 3.41 O ATOM 473 CB GLU A 32 0.199 -11.629 7.794 1.00 4.33 C ATOM 474 CG GLU A 32 -1.065 -10.928 8.263 1.00 63.00 C ATOM 475 CD GLU A 32 -2.256 -11.216 7.371 1.00 75.32 C ATOM 476 OE1 GLU A 32 -2.042 -11.611 6.205 1.00 15.42 O ATOM 477 OE2 GLU A 32 -3.402 -11.048 7.837 1.00 13.44 O ATOM 0 H GLU A 32 1.870 -13.025 9.193 1.00 44.24 H new ATOM 0 HA GLU A 32 -0.860 -13.456 8.188 1.00 34.04 H new ATOM 0 HB2 GLU A 32 1.052 -11.224 8.339 1.00 4.33 H new ATOM 0 HB3 GLU A 32 0.359 -11.404 6.739 1.00 4.33 H new ATOM 0 HG2 GLU A 32 -1.294 -11.242 9.281 1.00 63.00 H new ATOM 0 HG3 GLU A 32 -0.890 -9.853 8.293 1.00 63.00 H new ATOM 484 N LEU A 33 1.880 -14.280 6.696 1.00 23.22 N ATOM 485 CA LEU A 33 2.448 -14.958 5.536 1.00 74.13 C ATOM 486 C LEU A 33 1.752 -16.293 5.291 1.00 73.21 C ATOM 487 O LEU A 33 1.422 -16.634 4.155 1.00 64.52 O ATOM 488 CB LEU A 33 3.948 -15.181 5.733 1.00 0.24 C ATOM 489 CG LEU A 33 4.760 -13.953 6.147 1.00 0.10 C ATOM 490 CD1 LEU A 33 5.733 -14.307 7.261 1.00 10.30 C ATOM 491 CD2 LEU A 33 5.503 -13.377 4.950 1.00 21.13 C ATOM 0 H LEU A 33 2.522 -14.181 7.482 1.00 23.22 H new ATOM 0 HA LEU A 33 2.294 -14.323 4.664 1.00 74.13 H new ATOM 0 HB2 LEU A 33 4.084 -15.954 6.490 1.00 0.24 H new ATOM 0 HB3 LEU A 33 4.363 -15.569 4.803 1.00 0.24 H new ATOM 0 HG LEU A 33 4.072 -13.195 6.521 1.00 0.10 H new ATOM 0 HD11 LEU A 33 6.302 -13.421 7.542 1.00 10.30 H new ATOM 0 HD12 LEU A 33 5.179 -14.672 8.126 1.00 10.30 H new ATOM 0 HD13 LEU A 33 6.417 -15.082 6.914 1.00 10.30 H new ATOM 0 HD21 LEU A 33 6.076 -12.504 5.263 1.00 21.13 H new ATOM 0 HD22 LEU A 33 6.180 -14.129 4.546 1.00 21.13 H new ATOM 0 HD23 LEU A 33 4.786 -13.085 4.183 1.00 21.13 H new ATOM 503 N VAL A 34 1.529 -17.044 6.365 1.00 72.22 N ATOM 504 CA VAL A 34 0.869 -18.341 6.267 1.00 13.44 C ATOM 505 C VAL A 34 -0.454 -18.229 5.517 1.00 65.02 C ATOM 506 O VAL A 34 -0.674 -18.882 4.496 1.00 4.42 O ATOM 507 CB VAL A 34 0.606 -18.943 7.661 1.00 43.15 C ATOM 508 CG1 VAL A 34 -0.646 -19.806 7.642 1.00 63.31 C ATOM 509 CG2 VAL A 34 1.811 -19.746 8.129 1.00 54.41 C ATOM 0 H VAL A 34 1.796 -16.777 7.313 1.00 72.22 H new ATOM 0 HA VAL A 34 1.542 -18.998 5.716 1.00 13.44 H new ATOM 0 HB VAL A 34 0.445 -18.128 8.366 1.00 43.15 H new ATOM 0 HG11 VAL A 34 -0.816 -20.223 8.635 1.00 63.31 H new ATOM 0 HG12 VAL A 34 -1.503 -19.198 7.352 1.00 63.31 H new ATOM 0 HG13 VAL A 34 -0.518 -20.617 6.925 1.00 63.31 H new ATOM 0 HG21 VAL A 34 1.609 -20.164 9.115 1.00 54.41 H new ATOM 0 HG22 VAL A 34 2.005 -20.555 7.425 1.00 54.41 H new ATOM 0 HG23 VAL A 34 2.683 -19.095 8.183 1.00 54.41 H new ATOM 519 N PRO A 35 -1.357 -17.382 6.032 1.00 3.20 N ATOM 520 CA PRO A 35 -2.673 -17.163 5.426 1.00 73.33 C ATOM 521 C PRO A 35 -2.584 -16.416 4.099 1.00 20.05 C ATOM 522 O PRO A 35 -3.535 -16.405 3.317 1.00 4.23 O ATOM 523 CB PRO A 35 -3.408 -16.317 6.468 1.00 1.41 C ATOM 524 CG PRO A 35 -2.327 -15.621 7.221 1.00 41.10 C ATOM 525 CD PRO A 35 -1.162 -16.571 7.246 1.00 61.40 C ATOM 0 HA PRO A 35 -3.174 -18.102 5.190 1.00 73.33 H new ATOM 0 HB2 PRO A 35 -4.083 -15.604 5.995 1.00 1.41 H new ATOM 0 HB3 PRO A 35 -4.013 -16.939 7.128 1.00 1.41 H new ATOM 0 HG2 PRO A 35 -2.055 -14.683 6.736 1.00 41.10 H new ATOM 0 HG3 PRO A 35 -2.652 -15.375 8.232 1.00 41.10 H new ATOM 0 HD2 PRO A 35 -0.210 -16.040 7.226 1.00 61.40 H new ATOM 0 HD3 PRO A 35 -1.165 -17.187 8.145 1.00 61.40 H new ATOM 533 N ARG A 36 -1.436 -15.793 3.853 1.00 71.34 N ATOM 534 CA ARG A 36 -1.224 -15.043 2.621 1.00 44.02 C ATOM 535 C ARG A 36 -0.575 -15.921 1.554 1.00 1.25 C ATOM 536 O ARG A 36 -0.237 -15.449 0.468 1.00 73.22 O ATOM 537 CB ARG A 36 -0.348 -13.818 2.890 1.00 51.44 C ATOM 538 CG ARG A 36 -0.235 -12.877 1.701 1.00 72.11 C ATOM 539 CD ARG A 36 0.330 -11.526 2.111 1.00 62.40 C ATOM 540 NE ARG A 36 -0.495 -10.872 3.123 1.00 50.24 N ATOM 541 CZ ARG A 36 -0.305 -9.621 3.529 1.00 35.51 C ATOM 542 NH1 ARG A 36 0.676 -8.894 3.013 1.00 75.44 N ATOM 543 NH2 ARG A 36 -1.099 -9.096 4.454 1.00 4.20 N ATOM 0 H ARG A 36 -0.639 -15.793 4.490 1.00 71.34 H new ATOM 0 HA ARG A 36 -2.196 -14.714 2.254 1.00 44.02 H new ATOM 0 HB2 ARG A 36 -0.756 -13.270 3.739 1.00 51.44 H new ATOM 0 HB3 ARG A 36 0.650 -14.151 3.175 1.00 51.44 H new ATOM 0 HG2 ARG A 36 0.405 -13.325 0.941 1.00 72.11 H new ATOM 0 HG3 ARG A 36 -1.218 -12.740 1.250 1.00 72.11 H new ATOM 0 HD2 ARG A 36 1.341 -11.658 2.497 1.00 62.40 H new ATOM 0 HD3 ARG A 36 0.405 -10.883 1.234 1.00 62.40 H new ATOM 0 HE ARG A 36 -1.258 -11.404 3.541 1.00 50.24 H new ATOM 0 HH11 ARG A 36 1.288 -9.294 2.302 1.00 75.44 H new ATOM 0 HH12 ARG A 36 0.819 -7.934 3.327 1.00 75.44 H new ATOM 0 HH21 ARG A 36 -1.855 -9.653 4.853 1.00 4.20 H new ATOM 0 HH22 ARG A 36 -0.953 -8.136 4.766 1.00 4.20 H new ATOM 557 N LEU A 37 -0.403 -17.199 1.872 1.00 32.13 N ATOM 558 CA LEU A 37 0.206 -18.144 0.942 1.00 15.31 C ATOM 559 C LEU A 37 1.469 -17.558 0.319 1.00 14.54 C ATOM 560 O LEU A 37 1.571 -17.431 -0.901 1.00 14.00 O ATOM 561 CB LEU A 37 -0.790 -18.522 -0.156 1.00 40.20 C ATOM 562 CG LEU A 37 -1.654 -19.754 0.116 1.00 3.22 C ATOM 563 CD1 LEU A 37 -0.786 -20.996 0.243 1.00 72.40 C ATOM 564 CD2 LEU A 37 -2.488 -19.553 1.373 1.00 71.12 C ATOM 0 H LEU A 37 -0.677 -17.605 2.767 1.00 32.13 H new ATOM 0 HA LEU A 37 0.480 -19.039 1.500 1.00 15.31 H new ATOM 0 HB2 LEU A 37 -1.450 -17.672 -0.329 1.00 40.20 H new ATOM 0 HB3 LEU A 37 -0.236 -18.688 -1.080 1.00 40.20 H new ATOM 0 HG LEU A 37 -2.331 -19.893 -0.727 1.00 3.22 H new ATOM 0 HD11 LEU A 37 -1.418 -21.863 0.436 1.00 72.40 H new ATOM 0 HD12 LEU A 37 -0.233 -21.150 -0.684 1.00 72.40 H new ATOM 0 HD13 LEU A 37 -0.085 -20.867 1.067 1.00 72.40 H new ATOM 0 HD21 LEU A 37 -3.097 -20.439 1.551 1.00 71.12 H new ATOM 0 HD22 LEU A 37 -1.828 -19.388 2.225 1.00 71.12 H new ATOM 0 HD23 LEU A 37 -3.137 -18.687 1.244 1.00 71.12 H new ATOM 576 N PHE A 38 2.430 -17.203 1.166 1.00 73.11 N ATOM 577 CA PHE A 38 3.687 -16.632 0.699 1.00 44.52 C ATOM 578 C PHE A 38 4.396 -17.586 -0.258 1.00 5.24 C ATOM 579 O PHE A 38 4.347 -18.804 -0.086 1.00 52.13 O ATOM 580 CB PHE A 38 4.598 -16.311 1.886 1.00 42.34 C ATOM 581 CG PHE A 38 5.245 -14.958 1.797 1.00 54.23 C ATOM 582 CD1 PHE A 38 4.472 -13.809 1.737 1.00 64.13 C ATOM 583 CD2 PHE A 38 6.625 -14.835 1.773 1.00 75.03 C ATOM 584 CE1 PHE A 38 5.064 -12.562 1.655 1.00 31.52 C ATOM 585 CE2 PHE A 38 7.222 -13.591 1.692 1.00 73.22 C ATOM 586 CZ PHE A 38 6.440 -12.454 1.632 1.00 45.33 C ATOM 0 H PHE A 38 2.362 -17.301 2.179 1.00 73.11 H new ATOM 0 HA PHE A 38 3.461 -15.710 0.163 1.00 44.52 H new ATOM 0 HB2 PHE A 38 4.016 -16.367 2.806 1.00 42.34 H new ATOM 0 HB3 PHE A 38 5.375 -17.073 1.954 1.00 42.34 H new ATOM 0 HD1 PHE A 38 3.395 -13.889 1.754 1.00 64.13 H new ATOM 0 HD2 PHE A 38 7.241 -15.721 1.818 1.00 75.03 H new ATOM 0 HE1 PHE A 38 4.451 -11.674 1.609 1.00 31.52 H new ATOM 0 HE2 PHE A 38 8.299 -13.508 1.676 1.00 73.22 H new ATOM 0 HZ PHE A 38 6.905 -11.481 1.567 1.00 45.33 H new ATOM 596 N ARG A 39 5.055 -17.023 -1.265 1.00 44.12 N ATOM 597 CA ARG A 39 5.773 -17.823 -2.250 1.00 42.34 C ATOM 598 C ARG A 39 6.944 -17.040 -2.838 1.00 14.41 C ATOM 599 O ARG A 39 6.869 -15.822 -3.004 1.00 74.14 O ATOM 600 CB ARG A 39 4.827 -18.262 -3.369 1.00 71.21 C ATOM 601 CG ARG A 39 4.817 -19.764 -3.604 1.00 0.14 C ATOM 602 CD ARG A 39 3.712 -20.444 -2.811 1.00 20.33 C ATOM 603 NE ARG A 39 3.052 -21.494 -3.582 1.00 31.22 N ATOM 604 CZ ARG A 39 3.635 -22.641 -3.911 1.00 63.23 C ATOM 605 NH1 ARG A 39 4.884 -22.885 -3.538 1.00 42.35 N ATOM 606 NH2 ARG A 39 2.969 -23.548 -4.615 1.00 1.21 N ATOM 0 H ARG A 39 5.107 -16.016 -1.420 1.00 44.12 H new ATOM 0 HA ARG A 39 6.165 -18.707 -1.747 1.00 42.34 H new ATOM 0 HB2 ARG A 39 3.816 -17.934 -3.128 1.00 71.21 H new ATOM 0 HB3 ARG A 39 5.113 -17.760 -4.293 1.00 71.21 H new ATOM 0 HG2 ARG A 39 4.681 -19.966 -4.666 1.00 0.14 H new ATOM 0 HG3 ARG A 39 5.782 -20.184 -3.320 1.00 0.14 H new ATOM 0 HD2 ARG A 39 4.130 -20.872 -1.900 1.00 20.33 H new ATOM 0 HD3 ARG A 39 2.975 -19.701 -2.505 1.00 20.33 H new ATOM 0 HE ARG A 39 2.090 -21.338 -3.884 1.00 31.22 H new ATOM 0 HH11 ARG A 39 5.400 -22.191 -2.997 1.00 42.35 H new ATOM 0 HH12 ARG A 39 5.329 -23.767 -3.792 1.00 42.35 H new ATOM 0 HH21 ARG A 39 2.008 -23.364 -4.904 1.00 1.21 H new ATOM 0 HH22 ARG A 39 3.418 -24.428 -4.867 1.00 1.21 H new ATOM 620 N VAL A 40 8.025 -17.747 -3.150 1.00 1.22 N ATOM 621 CA VAL A 40 9.211 -17.119 -3.719 1.00 44.30 C ATOM 622 C VAL A 40 9.555 -17.721 -5.077 1.00 35.54 C ATOM 623 O VAL A 40 9.519 -18.939 -5.254 1.00 12.34 O ATOM 624 CB VAL A 40 10.427 -17.263 -2.784 1.00 35.04 C ATOM 625 CG1 VAL A 40 11.620 -16.500 -3.337 1.00 64.44 C ATOM 626 CG2 VAL A 40 10.080 -16.783 -1.382 1.00 52.35 C ATOM 0 H VAL A 40 8.104 -18.755 -3.018 1.00 1.22 H new ATOM 0 HA VAL A 40 8.979 -16.061 -3.842 1.00 44.30 H new ATOM 0 HB VAL A 40 10.696 -18.318 -2.727 1.00 35.04 H new ATOM 0 HG11 VAL A 40 12.469 -16.614 -2.663 1.00 64.44 H new ATOM 0 HG12 VAL A 40 11.881 -16.895 -4.319 1.00 64.44 H new ATOM 0 HG13 VAL A 40 11.367 -15.444 -3.426 1.00 64.44 H new ATOM 0 HG21 VAL A 40 10.950 -16.892 -0.734 1.00 52.35 H new ATOM 0 HG22 VAL A 40 9.784 -15.735 -1.419 1.00 52.35 H new ATOM 0 HG23 VAL A 40 9.257 -17.378 -0.987 1.00 52.35 H new ATOM 636 N ALA A 41 9.888 -16.861 -6.033 1.00 15.31 N ATOM 637 CA ALA A 41 10.240 -17.308 -7.375 1.00 31.24 C ATOM 638 C ALA A 41 11.002 -16.226 -8.132 1.00 21.12 C ATOM 639 O ALA A 41 10.704 -15.039 -8.004 1.00 1.41 O ATOM 640 CB ALA A 41 8.989 -17.711 -8.142 1.00 43.21 C ATOM 0 H ALA A 41 9.921 -15.850 -5.903 1.00 15.31 H new ATOM 0 HA ALA A 41 10.892 -18.177 -7.283 1.00 31.24 H new ATOM 0 HB1 ALA A 41 9.267 -18.043 -9.142 1.00 43.21 H new ATOM 0 HB2 ALA A 41 8.486 -18.523 -7.617 1.00 43.21 H new ATOM 0 HB3 ALA A 41 8.317 -16.856 -8.217 1.00 43.21 H new ATOM 646 N SER A 42 11.988 -16.644 -8.920 1.00 35.12 N ATOM 647 CA SER A 42 12.796 -15.710 -9.694 1.00 52.43 C ATOM 648 C SER A 42 12.905 -16.161 -11.148 1.00 11.34 C ATOM 649 O SER A 42 12.726 -17.338 -11.460 1.00 70.11 O ATOM 650 CB SER A 42 14.192 -15.581 -9.082 1.00 71.11 C ATOM 651 OG SER A 42 15.150 -16.295 -9.844 1.00 4.04 O ATOM 0 H SER A 42 12.246 -17.624 -9.039 1.00 35.12 H new ATOM 0 HA SER A 42 12.305 -14.737 -9.669 1.00 52.43 H new ATOM 0 HB2 SER A 42 14.474 -14.529 -9.030 1.00 71.11 H new ATOM 0 HB3 SER A 42 14.181 -15.959 -8.060 1.00 71.11 H new ATOM 0 HG SER A 42 15.681 -15.665 -10.375 1.00 4.04 H new ATOM 657 N LYS A 43 13.200 -15.215 -12.033 1.00 72.23 N ATOM 658 CA LYS A 43 13.335 -15.513 -13.454 1.00 53.54 C ATOM 659 C LYS A 43 14.766 -15.916 -13.792 1.00 63.23 C ATOM 660 O LYS A 43 15.006 -16.632 -14.765 1.00 23.34 O ATOM 661 CB LYS A 43 12.925 -14.299 -14.292 1.00 13.24 C ATOM 662 CG LYS A 43 11.829 -14.598 -15.300 1.00 41.22 C ATOM 663 CD LYS A 43 11.073 -13.339 -15.692 1.00 31.25 C ATOM 664 CE LYS A 43 10.091 -13.608 -16.821 1.00 53.24 C ATOM 665 NZ LYS A 43 10.781 -13.757 -18.133 1.00 13.15 N ATOM 0 H LYS A 43 13.350 -14.235 -11.791 1.00 72.23 H new ATOM 0 HA LYS A 43 12.676 -16.349 -13.688 1.00 53.54 H new ATOM 0 HB2 LYS A 43 12.587 -13.505 -13.626 1.00 13.24 H new ATOM 0 HB3 LYS A 43 13.800 -13.921 -14.821 1.00 13.24 H new ATOM 0 HG2 LYS A 43 12.265 -15.053 -16.189 1.00 41.22 H new ATOM 0 HG3 LYS A 43 11.134 -15.324 -14.879 1.00 41.22 H new ATOM 0 HD2 LYS A 43 10.536 -12.951 -14.826 1.00 31.25 H new ATOM 0 HD3 LYS A 43 11.781 -12.569 -16.000 1.00 31.25 H new ATOM 0 HE2 LYS A 43 9.526 -14.514 -16.603 1.00 53.24 H new ATOM 0 HE3 LYS A 43 9.372 -12.791 -16.879 1.00 53.24 H new ATOM 0 HZ1 LYS A 43 10.073 -13.855 -18.888 1.00 13.15 H new ATOM 0 HZ2 LYS A 43 11.367 -12.917 -18.314 1.00 13.15 H new ATOM 0 HZ3 LYS A 43 11.385 -14.603 -18.113 1.00 13.15 H new ATOM 679 N ASP A 44 15.713 -15.454 -12.983 1.00 40.23 N ATOM 680 CA ASP A 44 17.121 -15.769 -13.195 1.00 70.22 C ATOM 681 C ASP A 44 17.367 -17.270 -13.070 1.00 14.43 C ATOM 682 O ASP A 44 17.543 -17.965 -14.070 1.00 32.40 O ATOM 683 CB ASP A 44 17.992 -15.012 -12.192 1.00 10.42 C ATOM 684 CG ASP A 44 18.130 -13.542 -12.538 1.00 72.25 C ATOM 685 OD1 ASP A 44 17.478 -13.098 -13.506 1.00 43.25 O ATOM 686 OD2 ASP A 44 18.890 -12.837 -11.842 1.00 50.33 O ATOM 0 H ASP A 44 15.531 -14.860 -12.174 1.00 40.23 H new ATOM 0 HA ASP A 44 17.389 -15.458 -14.205 1.00 70.22 H new ATOM 0 HB2 ASP A 44 17.561 -15.109 -11.195 1.00 10.42 H new ATOM 0 HB3 ASP A 44 18.981 -15.468 -12.157 1.00 10.42 H new ATOM 691 N ARG A 45 17.378 -17.761 -11.835 1.00 0.00 N ATOM 692 CA ARG A 45 17.605 -19.178 -11.579 1.00 35.22 C ATOM 693 C ARG A 45 16.388 -19.811 -10.909 1.00 3.33 C ATOM 694 O ARG A 45 16.235 -21.031 -10.902 1.00 61.42 O ATOM 695 CB ARG A 45 18.841 -19.368 -10.699 1.00 3.14 C ATOM 696 CG ARG A 45 20.143 -19.428 -11.482 1.00 34.54 C ATOM 697 CD ARG A 45 21.351 -19.352 -10.561 1.00 53.11 C ATOM 698 NE ARG A 45 22.541 -18.875 -11.259 1.00 44.04 N ATOM 699 CZ ARG A 45 23.649 -18.483 -10.640 1.00 10.23 C ATOM 700 NH1 ARG A 45 23.717 -18.511 -9.316 1.00 25.11 N ATOM 701 NH2 ARG A 45 24.691 -18.062 -11.345 1.00 3.44 N ATOM 0 H ARG A 45 17.232 -17.199 -10.997 1.00 0.00 H new ATOM 0 HA ARG A 45 17.770 -19.672 -12.536 1.00 35.22 H new ATOM 0 HB2 ARG A 45 18.895 -18.549 -9.982 1.00 3.14 H new ATOM 0 HB3 ARG A 45 18.730 -20.288 -10.124 1.00 3.14 H new ATOM 0 HG2 ARG A 45 20.180 -20.353 -12.057 1.00 34.54 H new ATOM 0 HG3 ARG A 45 20.177 -18.606 -12.197 1.00 34.54 H new ATOM 0 HD2 ARG A 45 21.129 -18.687 -9.726 1.00 53.11 H new ATOM 0 HD3 ARG A 45 21.548 -20.338 -10.140 1.00 53.11 H new ATOM 0 HE ARG A 45 22.521 -18.841 -12.278 1.00 44.04 H new ATOM 0 HH11 ARG A 45 22.918 -18.834 -8.771 1.00 25.11 H new ATOM 0 HH12 ARG A 45 24.569 -18.210 -8.843 1.00 25.11 H new ATOM 0 HH21 ARG A 45 24.642 -18.039 -12.364 1.00 3.44 H new ATOM 0 HH22 ARG A 45 25.541 -17.761 -10.868 1.00 3.44 H new ATOM 715 N GLY A 46 15.526 -18.970 -10.345 1.00 34.52 N ATOM 716 CA GLY A 46 14.335 -19.466 -9.679 1.00 52.34 C ATOM 717 C GLY A 46 14.573 -19.766 -8.213 1.00 14.43 C ATOM 718 O GLY A 46 13.625 -19.947 -7.448 1.00 2.54 O ATOM 0 H GLY A 46 15.631 -17.955 -10.337 1.00 34.52 H new ATOM 0 HA2 GLY A 46 13.537 -18.729 -9.771 1.00 52.34 H new ATOM 0 HA3 GLY A 46 13.992 -20.371 -10.181 1.00 52.34 H new ATOM 722 N ASP A 47 15.840 -19.820 -7.820 1.00 24.32 N ATOM 723 CA ASP A 47 16.200 -20.101 -6.435 1.00 22.33 C ATOM 724 C ASP A 47 17.309 -19.166 -5.961 1.00 34.42 C ATOM 725 O ASP A 47 18.434 -19.598 -5.708 1.00 20.40 O ATOM 726 CB ASP A 47 16.646 -21.557 -6.286 1.00 54.14 C ATOM 727 CG ASP A 47 15.476 -22.522 -6.274 1.00 42.21 C ATOM 728 OD1 ASP A 47 14.838 -22.693 -7.333 1.00 53.23 O ATOM 729 OD2 ASP A 47 15.199 -23.105 -5.205 1.00 21.10 O ATOM 0 H ASP A 47 16.636 -19.673 -8.441 1.00 24.32 H new ATOM 0 HA ASP A 47 15.319 -19.934 -5.816 1.00 22.33 H new ATOM 0 HB2 ASP A 47 17.317 -21.814 -7.105 1.00 54.14 H new ATOM 0 HB3 ASP A 47 17.214 -21.667 -5.362 1.00 54.14 H new ATOM 734 N LEU A 48 16.984 -17.884 -5.844 1.00 14.34 N ATOM 735 CA LEU A 48 17.952 -16.886 -5.401 1.00 30.41 C ATOM 736 C LEU A 48 18.008 -16.820 -3.878 1.00 52.11 C ATOM 737 O LEU A 48 19.088 -16.784 -3.287 1.00 33.24 O ATOM 738 CB LEU A 48 17.595 -15.512 -5.970 1.00 72.21 C ATOM 739 CG LEU A 48 17.265 -15.469 -7.463 1.00 11.15 C ATOM 740 CD1 LEU A 48 16.740 -14.096 -7.854 1.00 33.45 C ATOM 741 CD2 LEU A 48 18.490 -15.829 -8.290 1.00 42.22 C ATOM 0 H LEU A 48 16.057 -17.510 -6.050 1.00 14.34 H new ATOM 0 HA LEU A 48 18.935 -17.180 -5.770 1.00 30.41 H new ATOM 0 HB2 LEU A 48 16.739 -15.123 -5.418 1.00 72.21 H new ATOM 0 HB3 LEU A 48 18.429 -14.836 -5.783 1.00 72.21 H new ATOM 0 HG LEU A 48 16.486 -16.204 -7.665 1.00 11.15 H new ATOM 0 HD11 LEU A 48 16.511 -14.084 -8.920 1.00 33.45 H new ATOM 0 HD12 LEU A 48 15.836 -13.877 -7.286 1.00 33.45 H new ATOM 0 HD13 LEU A 48 17.497 -13.342 -7.637 1.00 33.45 H new ATOM 0 HD21 LEU A 48 18.237 -15.793 -9.350 1.00 42.22 H new ATOM 0 HD22 LEU A 48 19.290 -15.118 -8.084 1.00 42.22 H new ATOM 0 HD23 LEU A 48 18.822 -16.834 -8.030 1.00 42.22 H new ATOM 753 N LEU A 49 16.838 -16.806 -3.249 1.00 1.34 N ATOM 754 CA LEU A 49 16.753 -16.746 -1.793 1.00 70.15 C ATOM 755 C LEU A 49 15.423 -17.309 -1.302 1.00 42.02 C ATOM 756 O LEU A 49 14.605 -17.774 -2.095 1.00 12.40 O ATOM 757 CB LEU A 49 16.918 -15.304 -1.312 1.00 3.40 C ATOM 758 CG LEU A 49 18.334 -14.731 -1.382 1.00 2.30 C ATOM 759 CD1 LEU A 49 18.554 -14.011 -2.704 1.00 21.14 C ATOM 760 CD2 LEU A 49 18.588 -13.791 -0.212 1.00 52.23 C ATOM 0 H LEU A 49 15.936 -16.835 -3.723 1.00 1.34 H new ATOM 0 HA LEU A 49 17.558 -17.354 -1.381 1.00 70.15 H new ATOM 0 HB2 LEU A 49 16.260 -14.667 -1.904 1.00 3.40 H new ATOM 0 HB3 LEU A 49 16.574 -15.245 -0.279 1.00 3.40 H new ATOM 0 HG LEU A 49 19.043 -15.557 -1.319 1.00 2.30 H new ATOM 0 HD11 LEU A 49 19.567 -13.610 -2.736 1.00 21.14 H new ATOM 0 HD12 LEU A 49 18.415 -14.712 -3.527 1.00 21.14 H new ATOM 0 HD13 LEU A 49 17.838 -13.195 -2.797 1.00 21.14 H new ATOM 0 HD21 LEU A 49 19.601 -13.393 -0.278 1.00 52.23 H new ATOM 0 HD22 LEU A 49 17.872 -12.970 -0.243 1.00 52.23 H new ATOM 0 HD23 LEU A 49 18.473 -14.337 0.725 1.00 52.23 H new ATOM 772 N GLU A 50 15.215 -17.262 0.010 1.00 52.41 N ATOM 773 CA GLU A 50 13.983 -17.766 0.606 1.00 41.23 C ATOM 774 C GLU A 50 13.720 -17.102 1.954 1.00 13.03 C ATOM 775 O GLU A 50 14.649 -16.802 2.703 1.00 4.33 O ATOM 776 CB GLU A 50 14.058 -19.284 0.778 1.00 23.34 C ATOM 777 CG GLU A 50 12.905 -19.864 1.580 1.00 11.41 C ATOM 778 CD GLU A 50 12.936 -21.379 1.636 1.00 3.43 C ATOM 779 OE1 GLU A 50 13.600 -21.991 0.774 1.00 32.21 O ATOM 780 OE2 GLU A 50 12.297 -21.951 2.544 1.00 70.34 O ATOM 0 H GLU A 50 15.883 -16.881 0.680 1.00 52.41 H new ATOM 0 HA GLU A 50 13.159 -17.524 -0.065 1.00 41.23 H new ATOM 0 HB2 GLU A 50 14.076 -19.752 -0.206 1.00 23.34 H new ATOM 0 HB3 GLU A 50 14.996 -19.539 1.270 1.00 23.34 H new ATOM 0 HG2 GLU A 50 12.937 -19.466 2.594 1.00 11.41 H new ATOM 0 HG3 GLU A 50 11.962 -19.540 1.140 1.00 11.41 H new ATOM 787 N VAL A 51 12.445 -16.875 2.257 1.00 62.23 N ATOM 788 CA VAL A 51 12.058 -16.248 3.514 1.00 10.45 C ATOM 789 C VAL A 51 11.687 -17.294 4.559 1.00 11.13 C ATOM 790 O VAL A 51 11.105 -18.329 4.237 1.00 42.23 O ATOM 791 CB VAL A 51 10.869 -15.288 3.320 1.00 10.01 C ATOM 792 CG1 VAL A 51 9.713 -16.002 2.637 1.00 55.21 C ATOM 793 CG2 VAL A 51 10.432 -14.705 4.655 1.00 0.53 C ATOM 0 H VAL A 51 11.663 -17.116 1.648 1.00 62.23 H new ATOM 0 HA VAL A 51 12.921 -15.680 3.863 1.00 10.45 H new ATOM 0 HB VAL A 51 11.188 -14.467 2.678 1.00 10.01 H new ATOM 0 HG11 VAL A 51 8.882 -15.308 2.508 1.00 55.21 H new ATOM 0 HG12 VAL A 51 10.036 -16.367 1.662 1.00 55.21 H new ATOM 0 HG13 VAL A 51 9.391 -16.843 3.251 1.00 55.21 H new ATOM 0 HG21 VAL A 51 9.591 -14.029 4.499 1.00 0.53 H new ATOM 0 HG22 VAL A 51 10.130 -15.512 5.323 1.00 0.53 H new ATOM 0 HG23 VAL A 51 11.261 -14.156 5.101 1.00 0.53 H new ATOM 803 N ASN A 52 12.027 -17.016 5.814 1.00 64.23 N ATOM 804 CA ASN A 52 11.730 -17.934 6.907 1.00 11.15 C ATOM 805 C ASN A 52 10.514 -17.462 7.698 1.00 14.42 C ATOM 806 O ASN A 52 10.490 -16.342 8.212 1.00 33.30 O ATOM 807 CB ASN A 52 12.938 -18.061 7.837 1.00 24.30 C ATOM 808 CG ASN A 52 12.754 -19.148 8.879 1.00 3.52 C ATOM 809 OD1 ASN A 52 11.677 -19.730 9.001 1.00 72.54 O ATOM 810 ND2 ASN A 52 13.809 -19.424 9.638 1.00 75.22 N ATOM 0 H ASN A 52 12.508 -16.163 6.099 1.00 64.23 H new ATOM 0 HA ASN A 52 11.506 -18.910 6.477 1.00 11.15 H new ATOM 0 HB2 ASN A 52 13.828 -18.276 7.245 1.00 24.30 H new ATOM 0 HB3 ASN A 52 13.110 -17.108 8.337 1.00 24.30 H new ATOM 0 HD21 ASN A 52 13.745 -20.144 10.357 1.00 75.22 H new ATOM 0 HD22 ASN A 52 14.683 -18.916 9.501 1.00 75.22 H new ATOM 817 N LEU A 53 9.506 -18.322 7.792 1.00 14.32 N ATOM 818 CA LEU A 53 8.285 -17.994 8.521 1.00 3.32 C ATOM 819 C LEU A 53 8.536 -17.985 10.026 1.00 55.01 C ATOM 820 O LEU A 53 7.668 -17.594 10.806 1.00 32.11 O ATOM 821 CB LEU A 53 7.180 -18.996 8.182 1.00 3.33 C ATOM 822 CG LEU A 53 6.327 -18.665 6.957 1.00 1.02 C ATOM 823 CD1 LEU A 53 6.240 -19.865 6.028 1.00 70.35 C ATOM 824 CD2 LEU A 53 4.937 -18.215 7.381 1.00 12.35 C ATOM 0 H LEU A 53 9.510 -19.252 7.373 1.00 14.32 H new ATOM 0 HA LEU A 53 7.967 -16.996 8.218 1.00 3.32 H new ATOM 0 HB2 LEU A 53 7.638 -19.973 8.028 1.00 3.33 H new ATOM 0 HB3 LEU A 53 6.521 -19.086 9.045 1.00 3.33 H new ATOM 0 HG LEU A 53 6.803 -17.847 6.417 1.00 1.02 H new ATOM 0 HD11 LEU A 53 5.629 -19.611 5.162 1.00 70.35 H new ATOM 0 HD12 LEU A 53 7.241 -20.142 5.697 1.00 70.35 H new ATOM 0 HD13 LEU A 53 5.788 -20.703 6.558 1.00 70.35 H new ATOM 0 HD21 LEU A 53 4.344 -17.984 6.496 1.00 12.35 H new ATOM 0 HD22 LEU A 53 4.452 -19.012 7.944 1.00 12.35 H new ATOM 0 HD23 LEU A 53 5.017 -17.326 8.007 1.00 12.35 H new ATOM 836 N GLN A 54 9.728 -18.416 10.425 1.00 73.42 N ATOM 837 CA GLN A 54 10.092 -18.456 11.836 1.00 20.51 C ATOM 838 C GLN A 54 10.134 -17.051 12.427 1.00 24.35 C ATOM 839 O GLN A 54 9.372 -16.727 13.337 1.00 61.10 O ATOM 840 CB GLN A 54 11.449 -19.139 12.015 1.00 22.10 C ATOM 841 CG GLN A 54 11.400 -20.647 11.832 1.00 23.45 C ATOM 842 CD GLN A 54 11.180 -21.386 13.138 1.00 75.44 C ATOM 843 OE1 GLN A 54 12.100 -21.998 13.682 1.00 53.43 O ATOM 844 NE2 GLN A 54 9.955 -21.334 13.648 1.00 73.11 N ATOM 0 H GLN A 54 10.458 -18.742 9.791 1.00 73.42 H new ATOM 0 HA GLN A 54 9.332 -19.030 12.366 1.00 20.51 H new ATOM 0 HB2 GLN A 54 12.156 -18.717 11.300 1.00 22.10 H new ATOM 0 HB3 GLN A 54 11.831 -18.914 13.011 1.00 22.10 H new ATOM 0 HG2 GLN A 54 10.599 -20.899 11.137 1.00 23.45 H new ATOM 0 HG3 GLN A 54 12.333 -20.985 11.380 1.00 23.45 H new ATOM 0 HE21 GLN A 54 9.223 -20.815 13.164 1.00 73.11 H new ATOM 0 HE22 GLN A 54 9.747 -21.813 14.524 1.00 73.11 H new ATOM 853 N ASN A 55 11.031 -16.221 11.904 1.00 21.35 N ATOM 854 CA ASN A 55 11.174 -14.851 12.382 1.00 55.43 C ATOM 855 C ASN A 55 10.879 -13.853 11.266 1.00 52.32 C ATOM 856 O ASN A 55 10.677 -12.666 11.518 1.00 40.44 O ATOM 857 CB ASN A 55 12.585 -14.622 12.926 1.00 41.02 C ATOM 858 CG ASN A 55 12.773 -15.209 14.311 1.00 33.14 C ATOM 859 OD1 ASN A 55 13.630 -16.066 14.523 1.00 23.55 O ATOM 860 ND2 ASN A 55 11.969 -14.749 15.263 1.00 54.33 N ATOM 0 H ASN A 55 11.669 -16.473 11.149 1.00 21.35 H new ATOM 0 HA ASN A 55 10.454 -14.696 13.185 1.00 55.43 H new ATOM 0 HB2 ASN A 55 13.311 -15.066 12.245 1.00 41.02 H new ATOM 0 HB3 ASN A 55 12.790 -13.552 12.957 1.00 41.02 H new ATOM 0 HD21 ASN A 55 12.049 -15.107 16.215 1.00 54.33 H new ATOM 0 HD22 ASN A 55 11.272 -14.038 15.042 1.00 54.33 H new ATOM 867 N GLY A 56 10.855 -14.344 10.031 1.00 61.35 N ATOM 868 CA GLY A 56 10.584 -13.483 8.894 1.00 0.15 C ATOM 869 C GLY A 56 11.850 -13.042 8.186 1.00 14.02 C ATOM 870 O GLY A 56 11.801 -12.573 7.048 1.00 33.45 O ATOM 0 H GLY A 56 11.018 -15.323 9.797 1.00 61.35 H new ATOM 0 HA2 GLY A 56 9.941 -14.010 8.188 1.00 0.15 H new ATOM 0 HA3 GLY A 56 10.035 -12.604 9.231 1.00 0.15 H new ATOM 874 N ILE A 57 12.985 -13.190 8.860 1.00 21.30 N ATOM 875 CA ILE A 57 14.269 -12.803 8.288 1.00 75.02 C ATOM 876 C ILE A 57 14.504 -13.493 6.948 1.00 31.14 C ATOM 877 O ILE A 57 14.092 -14.636 6.746 1.00 62.24 O ATOM 878 CB ILE A 57 15.433 -13.140 9.238 1.00 41.23 C ATOM 879 CG1 ILE A 57 16.745 -12.569 8.694 1.00 15.14 C ATOM 880 CG2 ILE A 57 15.543 -14.645 9.428 1.00 71.31 C ATOM 881 CD1 ILE A 57 16.720 -11.068 8.510 1.00 55.31 C ATOM 0 H ILE A 57 13.042 -13.575 9.803 1.00 21.30 H new ATOM 0 HA ILE A 57 14.235 -11.724 8.137 1.00 75.02 H new ATOM 0 HB ILE A 57 15.234 -12.685 10.208 1.00 41.23 H new ATOM 0 HG12 ILE A 57 17.555 -12.830 9.375 1.00 15.14 H new ATOM 0 HG13 ILE A 57 16.968 -13.041 7.737 1.00 15.14 H new ATOM 0 HG21 ILE A 57 16.370 -14.867 10.102 1.00 71.31 H new ATOM 0 HG22 ILE A 57 14.615 -15.027 9.854 1.00 71.31 H new ATOM 0 HG23 ILE A 57 15.722 -15.121 8.464 1.00 71.31 H new ATOM 0 HD11 ILE A 57 17.682 -10.733 8.122 1.00 55.31 H new ATOM 0 HD12 ILE A 57 15.932 -10.801 7.806 1.00 55.31 H new ATOM 0 HD13 ILE A 57 16.528 -10.587 9.469 1.00 55.31 H new ATOM 893 N LEU A 58 15.170 -12.792 6.037 1.00 30.44 N ATOM 894 CA LEU A 58 15.463 -13.338 4.716 1.00 12.14 C ATOM 895 C LEU A 58 16.874 -13.914 4.666 1.00 21.50 C ATOM 896 O LEU A 58 17.850 -13.220 4.950 1.00 43.25 O ATOM 897 CB LEU A 58 15.304 -12.254 3.649 1.00 70.13 C ATOM 898 CG LEU A 58 14.858 -12.734 2.267 1.00 44.52 C ATOM 899 CD1 LEU A 58 15.923 -13.621 1.641 1.00 72.31 C ATOM 900 CD2 LEU A 58 13.532 -13.473 2.361 1.00 60.50 C ATOM 0 H LEU A 58 15.517 -11.845 6.188 1.00 30.44 H new ATOM 0 HA LEU A 58 14.755 -14.143 4.517 1.00 12.14 H new ATOM 0 HB2 LEU A 58 14.581 -11.522 4.008 1.00 70.13 H new ATOM 0 HB3 LEU A 58 16.257 -11.735 3.542 1.00 70.13 H new ATOM 0 HG LEU A 58 14.719 -11.862 1.628 1.00 44.52 H new ATOM 0 HD11 LEU A 58 15.588 -13.953 0.658 1.00 72.31 H new ATOM 0 HD12 LEU A 58 16.851 -13.058 1.537 1.00 72.31 H new ATOM 0 HD13 LEU A 58 16.095 -14.489 2.278 1.00 72.31 H new ATOM 0 HD21 LEU A 58 13.230 -13.807 1.368 1.00 60.50 H new ATOM 0 HD22 LEU A 58 13.643 -14.337 3.017 1.00 60.50 H new ATOM 0 HD23 LEU A 58 12.771 -12.805 2.766 1.00 60.50 H new ATOM 912 N PHE A 59 16.975 -15.188 4.301 1.00 34.43 N ATOM 913 CA PHE A 59 18.267 -15.858 4.212 1.00 33.41 C ATOM 914 C PHE A 59 18.618 -16.172 2.761 1.00 73.04 C ATOM 915 O PHE A 59 17.737 -16.293 1.909 1.00 12.02 O ATOM 916 CB PHE A 59 18.254 -17.148 5.036 1.00 43.13 C ATOM 917 CG PHE A 59 17.185 -18.116 4.617 1.00 21.31 C ATOM 918 CD1 PHE A 59 15.897 -18.005 5.116 1.00 24.32 C ATOM 919 CD2 PHE A 59 17.468 -19.138 3.725 1.00 41.23 C ATOM 920 CE1 PHE A 59 14.911 -18.895 4.733 1.00 41.52 C ATOM 921 CE2 PHE A 59 16.486 -20.030 3.337 1.00 12.44 C ATOM 922 CZ PHE A 59 15.206 -19.909 3.843 1.00 41.41 C ATOM 0 H PHE A 59 16.177 -15.777 4.062 1.00 34.43 H new ATOM 0 HA PHE A 59 19.025 -15.186 4.613 1.00 33.41 H new ATOM 0 HB2 PHE A 59 19.226 -17.634 4.951 1.00 43.13 H new ATOM 0 HB3 PHE A 59 18.114 -16.897 6.087 1.00 43.13 H new ATOM 0 HD1 PHE A 59 15.661 -17.214 5.812 1.00 24.32 H new ATOM 0 HD2 PHE A 59 18.467 -19.239 3.328 1.00 41.23 H new ATOM 0 HE1 PHE A 59 13.911 -18.797 5.129 1.00 41.52 H new ATOM 0 HE2 PHE A 59 16.719 -20.821 2.639 1.00 12.44 H new ATOM 0 HZ PHE A 59 14.438 -20.606 3.543 1.00 41.41 H new ATOM 932 N VAL A 60 19.912 -16.302 2.486 1.00 52.12 N ATOM 933 CA VAL A 60 20.381 -16.602 1.138 1.00 12.12 C ATOM 934 C VAL A 60 20.113 -18.058 0.775 1.00 63.03 C ATOM 935 O VAL A 60 20.199 -18.946 1.622 1.00 44.30 O ATOM 936 CB VAL A 60 21.887 -16.316 0.992 1.00 41.04 C ATOM 937 CG1 VAL A 60 22.318 -16.455 -0.460 1.00 43.35 C ATOM 938 CG2 VAL A 60 22.221 -14.931 1.525 1.00 34.13 C ATOM 0 H VAL A 60 20.654 -16.204 3.179 1.00 52.12 H new ATOM 0 HA VAL A 60 19.828 -15.954 0.458 1.00 12.12 H new ATOM 0 HB VAL A 60 22.437 -17.049 1.582 1.00 41.04 H new ATOM 0 HG11 VAL A 60 23.385 -16.249 -0.544 1.00 43.35 H new ATOM 0 HG12 VAL A 60 22.116 -17.469 -0.804 1.00 43.35 H new ATOM 0 HG13 VAL A 60 21.762 -15.746 -1.074 1.00 43.35 H new ATOM 0 HG21 VAL A 60 23.289 -14.746 1.414 1.00 34.13 H new ATOM 0 HG22 VAL A 60 21.663 -14.181 0.965 1.00 34.13 H new ATOM 0 HG23 VAL A 60 21.950 -14.872 2.579 1.00 34.13 H new ATOM 948 N ASN A 61 19.789 -18.296 -0.492 1.00 54.10 N ATOM 949 CA ASN A 61 19.508 -19.645 -0.969 1.00 23.43 C ATOM 950 C ASN A 61 19.983 -19.824 -2.408 1.00 12.43 C ATOM 951 O ASN A 61 19.269 -20.378 -3.243 1.00 50.14 O ATOM 952 CB ASN A 61 18.010 -19.941 -0.874 1.00 21.45 C ATOM 953 CG ASN A 61 17.728 -21.394 -0.541 1.00 53.21 C ATOM 954 OD1 ASN A 61 18.646 -22.176 -0.295 1.00 2.21 O ATOM 955 ND2 ASN A 61 16.452 -21.761 -0.533 1.00 33.42 N ATOM 0 H ASN A 61 19.715 -17.572 -1.207 1.00 54.10 H new ATOM 0 HA ASN A 61 20.051 -20.347 -0.336 1.00 23.43 H new ATOM 0 HB2 ASN A 61 17.564 -19.303 -0.111 1.00 21.45 H new ATOM 0 HB3 ASN A 61 17.532 -19.688 -1.820 1.00 21.45 H new ATOM 0 HD21 ASN A 61 16.200 -22.725 -0.317 1.00 33.42 H new ATOM 0 HD22 ASN A 61 15.724 -21.078 -0.743 1.00 33.42 H new ATOM 962 N SER A 62 21.193 -19.350 -2.689 1.00 34.20 N ATOM 963 CA SER A 62 21.762 -19.454 -4.027 1.00 71.15 C ATOM 964 C SER A 62 23.264 -19.189 -4.001 1.00 21.21 C ATOM 965 O SER A 62 23.830 -18.867 -2.956 1.00 43.03 O ATOM 966 CB SER A 62 21.075 -18.468 -4.975 1.00 23.24 C ATOM 967 OG SER A 62 21.103 -18.941 -6.310 1.00 53.12 O ATOM 0 H SER A 62 21.798 -18.891 -2.008 1.00 34.20 H new ATOM 0 HA SER A 62 21.596 -20.469 -4.387 1.00 71.15 H new ATOM 0 HB2 SER A 62 20.042 -18.316 -4.661 1.00 23.24 H new ATOM 0 HB3 SER A 62 21.571 -17.499 -4.919 1.00 23.24 H new ATOM 0 HG SER A 62 20.227 -19.314 -6.543 1.00 53.12 H new ATOM 973 N ARG A 63 23.903 -19.328 -5.158 1.00 5.42 N ATOM 974 CA ARG A 63 25.340 -19.105 -5.268 1.00 40.22 C ATOM 975 C ARG A 63 25.664 -17.614 -5.222 1.00 61.43 C ATOM 976 O ARG A 63 25.283 -16.859 -6.116 1.00 52.45 O ATOM 977 CB ARG A 63 25.874 -19.714 -6.566 1.00 11.01 C ATOM 978 CG ARG A 63 25.285 -21.078 -6.886 1.00 14.01 C ATOM 979 CD ARG A 63 25.509 -22.063 -5.749 1.00 44.40 C ATOM 980 NE ARG A 63 24.282 -22.327 -5.003 1.00 51.12 N ATOM 981 CZ ARG A 63 23.335 -23.161 -5.418 1.00 22.30 C ATOM 982 NH1 ARG A 63 23.475 -23.809 -6.566 1.00 74.23 N ATOM 983 NH2 ARG A 63 22.246 -23.349 -4.683 1.00 64.33 N ATOM 0 H ARG A 63 23.449 -19.594 -6.032 1.00 5.42 H new ATOM 0 HA ARG A 63 25.824 -19.591 -4.421 1.00 40.22 H new ATOM 0 HB2 ARG A 63 25.662 -19.034 -7.391 1.00 11.01 H new ATOM 0 HB3 ARG A 63 26.958 -19.803 -6.497 1.00 11.01 H new ATOM 0 HG2 ARG A 63 24.217 -20.978 -7.077 1.00 14.01 H new ATOM 0 HG3 ARG A 63 25.737 -21.466 -7.799 1.00 14.01 H new ATOM 0 HD2 ARG A 63 25.897 -22.999 -6.151 1.00 44.40 H new ATOM 0 HD3 ARG A 63 26.267 -21.669 -5.072 1.00 44.40 H new ATOM 0 HE ARG A 63 24.144 -21.845 -4.115 1.00 51.12 H new ATOM 0 HH11 ARG A 63 24.311 -23.668 -7.133 1.00 74.23 H new ATOM 0 HH12 ARG A 63 22.746 -24.449 -6.883 1.00 74.23 H new ATOM 0 HH21 ARG A 63 22.136 -22.853 -3.799 1.00 64.33 H new ATOM 0 HH22 ARG A 63 21.519 -23.990 -5.003 1.00 64.33 H new ATOM 997 N ILE A 64 26.369 -17.199 -4.175 1.00 70.52 N ATOM 998 CA ILE A 64 26.744 -15.800 -4.014 1.00 25.44 C ATOM 999 C ILE A 64 28.239 -15.602 -4.245 1.00 54.13 C ATOM 1000 O ILE A 64 28.697 -14.485 -4.486 1.00 12.21 O ATOM 1001 CB ILE A 64 26.380 -15.278 -2.611 1.00 60.04 C ATOM 1002 CG1 ILE A 64 24.980 -15.751 -2.215 1.00 22.52 C ATOM 1003 CG2 ILE A 64 26.462 -13.759 -2.574 1.00 72.32 C ATOM 1004 CD1 ILE A 64 23.902 -15.333 -3.190 1.00 20.02 C ATOM 0 H ILE A 64 26.692 -17.811 -3.426 1.00 70.52 H new ATOM 0 HA ILE A 64 26.185 -15.235 -4.760 1.00 25.44 H new ATOM 0 HB ILE A 64 27.095 -15.679 -1.893 1.00 60.04 H new ATOM 0 HG12 ILE A 64 24.982 -16.838 -2.133 1.00 22.52 H new ATOM 0 HG13 ILE A 64 24.738 -15.357 -1.228 1.00 22.52 H new ATOM 0 HG21 ILE A 64 26.202 -13.405 -1.576 1.00 72.32 H new ATOM 0 HG22 ILE A 64 27.476 -13.443 -2.818 1.00 72.32 H new ATOM 0 HG23 ILE A 64 25.766 -13.339 -3.301 1.00 72.32 H new ATOM 0 HD11 ILE A 64 22.936 -15.703 -2.845 1.00 20.02 H new ATOM 0 HD12 ILE A 64 23.872 -14.245 -3.255 1.00 20.02 H new ATOM 0 HD13 ILE A 64 24.120 -15.749 -4.174 1.00 20.02 H new ATOM 1016 N ASP A 65 28.993 -16.693 -4.173 1.00 12.01 N ATOM 1017 CA ASP A 65 30.436 -16.640 -4.378 1.00 33.02 C ATOM 1018 C ASP A 65 30.778 -15.825 -5.621 1.00 64.32 C ATOM 1019 O ASP A 65 30.103 -15.924 -6.646 1.00 12.14 O ATOM 1020 CB ASP A 65 31.006 -18.053 -4.506 1.00 23.33 C ATOM 1021 CG ASP A 65 31.418 -18.635 -3.167 1.00 52.24 C ATOM 1022 OD1 ASP A 65 30.576 -18.655 -2.246 1.00 33.13 O ATOM 1023 OD2 ASP A 65 32.582 -19.069 -3.041 1.00 42.24 O ATOM 0 H ASP A 65 28.629 -17.625 -3.974 1.00 12.01 H new ATOM 0 HA ASP A 65 30.884 -16.153 -3.512 1.00 33.02 H new ATOM 0 HB2 ASP A 65 30.261 -18.702 -4.967 1.00 23.33 H new ATOM 0 HB3 ASP A 65 31.869 -18.035 -5.172 1.00 23.33 H new ATOM 1028 N ARG A 66 31.831 -15.020 -5.523 1.00 63.32 N ATOM 1029 CA ARG A 66 32.262 -14.187 -6.639 1.00 41.31 C ATOM 1030 C ARG A 66 32.529 -15.034 -7.880 1.00 31.34 C ATOM 1031 O ARG A 66 32.465 -14.541 -9.005 1.00 2.11 O ATOM 1032 CB ARG A 66 33.522 -13.404 -6.262 1.00 74.34 C ATOM 1033 CG ARG A 66 34.582 -14.250 -5.577 1.00 60.51 C ATOM 1034 CD ARG A 66 35.983 -13.745 -5.885 1.00 72.34 C ATOM 1035 NE ARG A 66 36.886 -14.830 -6.259 1.00 70.35 N ATOM 1036 CZ ARG A 66 38.153 -14.643 -6.613 1.00 74.25 C ATOM 1037 NH1 ARG A 66 38.663 -13.420 -6.641 1.00 52.20 N ATOM 1038 NH2 ARG A 66 38.912 -15.681 -6.940 1.00 73.33 N ATOM 0 H ARG A 66 32.401 -14.927 -4.682 1.00 63.32 H new ATOM 0 HA ARG A 66 31.460 -13.485 -6.866 1.00 41.31 H new ATOM 0 HB2 ARG A 66 33.948 -12.962 -7.163 1.00 74.34 H new ATOM 0 HB3 ARG A 66 33.245 -12.581 -5.604 1.00 74.34 H new ATOM 0 HG2 ARG A 66 34.418 -14.238 -4.499 1.00 60.51 H new ATOM 0 HG3 ARG A 66 34.488 -15.286 -5.902 1.00 60.51 H new ATOM 0 HD2 ARG A 66 35.936 -13.017 -6.695 1.00 72.34 H new ATOM 0 HD3 ARG A 66 36.381 -13.226 -5.013 1.00 72.34 H new ATOM 0 HE ARG A 66 36.524 -15.784 -6.248 1.00 70.35 H new ATOM 0 HH11 ARG A 66 38.083 -12.620 -6.390 1.00 52.20 H new ATOM 0 HH12 ARG A 66 39.636 -13.279 -6.913 1.00 52.20 H new ATOM 0 HH21 ARG A 66 38.523 -16.624 -6.920 1.00 73.33 H new ATOM 0 HH22 ARG A 66 39.884 -15.536 -7.212 1.00 73.33 H new ATOM 1052 N GLU A 67 32.828 -16.312 -7.664 1.00 41.42 N ATOM 1053 CA GLU A 67 33.106 -17.226 -8.765 1.00 71.52 C ATOM 1054 C GLU A 67 31.818 -17.621 -9.483 1.00 43.52 C ATOM 1055 O GLU A 67 31.775 -17.682 -10.711 1.00 71.03 O ATOM 1056 CB GLU A 67 33.819 -18.478 -8.250 1.00 20.32 C ATOM 1057 CG GLU A 67 35.233 -18.636 -8.783 1.00 21.21 C ATOM 1058 CD GLU A 67 35.269 -18.873 -10.280 1.00 61.32 C ATOM 1059 OE1 GLU A 67 34.217 -19.236 -10.848 1.00 45.21 O ATOM 1060 OE2 GLU A 67 36.348 -18.697 -10.884 1.00 11.14 O ATOM 0 H GLU A 67 32.884 -16.736 -6.738 1.00 41.42 H new ATOM 0 HA GLU A 67 33.755 -16.712 -9.474 1.00 71.52 H new ATOM 0 HB2 GLU A 67 33.852 -18.445 -7.161 1.00 20.32 H new ATOM 0 HB3 GLU A 67 33.236 -19.357 -8.525 1.00 20.32 H new ATOM 0 HG2 GLU A 67 35.808 -17.741 -8.547 1.00 21.21 H new ATOM 0 HG3 GLU A 67 35.718 -19.470 -8.275 1.00 21.21 H new ATOM 1067 N GLU A 68 30.772 -17.887 -8.707 1.00 5.21 N ATOM 1068 CA GLU A 68 29.485 -18.277 -9.269 1.00 14.53 C ATOM 1069 C GLU A 68 28.691 -17.051 -9.712 1.00 11.33 C ATOM 1070 O GLU A 68 28.302 -16.936 -10.875 1.00 2.42 O ATOM 1071 CB GLU A 68 28.678 -19.077 -8.245 1.00 33.43 C ATOM 1072 CG GLU A 68 28.953 -20.571 -8.286 1.00 61.14 C ATOM 1073 CD GLU A 68 28.561 -21.200 -9.609 1.00 42.15 C ATOM 1074 OE1 GLU A 68 27.368 -21.123 -9.972 1.00 23.44 O ATOM 1075 OE2 GLU A 68 29.446 -21.768 -10.282 1.00 63.22 O ATOM 0 H GLU A 68 30.791 -17.839 -7.688 1.00 5.21 H new ATOM 0 HA GLU A 68 29.673 -18.902 -10.142 1.00 14.53 H new ATOM 0 HB2 GLU A 68 28.901 -18.702 -7.246 1.00 33.43 H new ATOM 0 HB3 GLU A 68 27.616 -18.907 -8.419 1.00 33.43 H new ATOM 0 HG2 GLU A 68 30.013 -20.747 -8.104 1.00 61.14 H new ATOM 0 HG3 GLU A 68 28.406 -21.060 -7.479 1.00 61.14 H new ATOM 1082 N LEU A 69 28.453 -16.138 -8.776 1.00 44.35 N ATOM 1083 CA LEU A 69 27.705 -14.920 -9.069 1.00 5.33 C ATOM 1084 C LEU A 69 28.282 -14.206 -10.287 1.00 41.21 C ATOM 1085 O LEU A 69 27.714 -14.260 -11.378 1.00 64.45 O ATOM 1086 CB LEU A 69 27.724 -13.984 -7.859 1.00 13.21 C ATOM 1087 CG LEU A 69 26.402 -13.837 -7.104 1.00 23.44 C ATOM 1088 CD1 LEU A 69 26.552 -12.856 -5.951 1.00 70.33 C ATOM 1089 CD2 LEU A 69 25.295 -13.390 -8.047 1.00 44.01 C ATOM 0 H LEU A 69 28.767 -16.218 -7.809 1.00 44.35 H new ATOM 0 HA LEU A 69 26.675 -15.200 -9.289 1.00 5.33 H new ATOM 0 HB2 LEU A 69 28.481 -14.341 -7.160 1.00 13.21 H new ATOM 0 HB3 LEU A 69 28.040 -12.996 -8.194 1.00 13.21 H new ATOM 0 HG LEU A 69 26.130 -14.810 -6.694 1.00 23.44 H new ATOM 0 HD11 LEU A 69 25.602 -12.764 -5.425 1.00 70.33 H new ATOM 0 HD12 LEU A 69 27.314 -13.219 -5.262 1.00 70.33 H new ATOM 0 HD13 LEU A 69 26.848 -11.881 -6.339 1.00 70.33 H new ATOM 0 HD21 LEU A 69 24.362 -13.291 -7.492 1.00 44.01 H new ATOM 0 HD22 LEU A 69 25.559 -12.429 -8.488 1.00 44.01 H new ATOM 0 HD23 LEU A 69 25.170 -14.130 -8.838 1.00 44.01 H new ATOM 1101 N CYS A 70 29.415 -13.538 -10.094 1.00 55.00 N ATOM 1102 CA CYS A 70 30.070 -12.814 -11.176 1.00 62.35 C ATOM 1103 C CYS A 70 31.531 -12.533 -10.836 1.00 52.40 C ATOM 1104 O CYS A 70 32.430 -12.821 -11.625 1.00 11.13 O ATOM 1105 CB CYS A 70 29.338 -11.501 -11.457 1.00 11.42 C ATOM 1106 SG CYS A 70 28.700 -10.672 -9.965 1.00 45.30 S ATOM 0 H CYS A 70 29.898 -13.484 -9.197 1.00 55.00 H new ATOM 0 HA CYS A 70 30.037 -13.438 -12.069 1.00 62.35 H new ATOM 0 HB2 CYS A 70 30.016 -10.823 -11.975 1.00 11.42 H new ATOM 0 HB3 CYS A 70 28.507 -11.698 -12.134 1.00 11.42 H new ATOM 1111 N GLY A 71 31.759 -11.967 -9.654 1.00 50.14 N ATOM 1112 CA GLY A 71 33.111 -11.656 -9.230 1.00 3.32 C ATOM 1113 C GLY A 71 33.664 -10.421 -9.914 1.00 22.21 C ATOM 1114 O GLY A 71 33.980 -9.428 -9.258 1.00 34.52 O ATOM 0 H GLY A 71 31.032 -11.719 -8.983 1.00 50.14 H new ATOM 0 HA2 GLY A 71 33.124 -11.506 -8.150 1.00 3.32 H new ATOM 0 HA3 GLY A 71 33.760 -12.506 -9.442 1.00 3.32 H new ATOM 1118 N ARG A 72 33.784 -10.483 -11.236 1.00 51.11 N ATOM 1119 CA ARG A 72 34.306 -9.362 -12.009 1.00 75.32 C ATOM 1120 C ARG A 72 33.574 -8.071 -11.655 1.00 43.45 C ATOM 1121 O ARG A 72 34.157 -7.155 -11.075 1.00 12.21 O ATOM 1122 CB ARG A 72 34.172 -9.643 -13.507 1.00 43.41 C ATOM 1123 CG ARG A 72 35.007 -10.820 -13.983 1.00 30.40 C ATOM 1124 CD ARG A 72 34.131 -11.954 -14.494 1.00 0.34 C ATOM 1125 NE ARG A 72 34.916 -13.006 -15.133 1.00 73.50 N ATOM 1126 CZ ARG A 72 34.378 -14.070 -15.719 1.00 63.44 C ATOM 1127 NH1 ARG A 72 33.061 -14.222 -15.747 1.00 44.44 N ATOM 1128 NH2 ARG A 72 35.159 -14.986 -16.280 1.00 13.42 N ATOM 0 H ARG A 72 33.527 -11.297 -11.794 1.00 51.11 H new ATOM 0 HA ARG A 72 35.361 -9.241 -11.762 1.00 75.32 H new ATOM 0 HB2 ARG A 72 33.124 -9.834 -13.740 1.00 43.41 H new ATOM 0 HB3 ARG A 72 34.465 -8.752 -14.063 1.00 43.41 H new ATOM 0 HG2 ARG A 72 35.680 -10.493 -14.776 1.00 30.40 H new ATOM 0 HG3 ARG A 72 35.630 -11.180 -13.164 1.00 30.40 H new ATOM 0 HD2 ARG A 72 33.565 -12.377 -13.664 1.00 0.34 H new ATOM 0 HD3 ARG A 72 33.406 -11.560 -15.206 1.00 0.34 H new ATOM 0 HE ARG A 72 35.932 -12.919 -15.129 1.00 73.50 H new ATOM 0 HH11 ARG A 72 32.457 -13.521 -15.318 1.00 44.44 H new ATOM 0 HH12 ARG A 72 32.652 -15.040 -16.198 1.00 44.44 H new ATOM 0 HH21 ARG A 72 36.173 -14.873 -16.261 1.00 13.42 H new ATOM 0 HH22 ARG A 72 34.745 -15.803 -16.730 1.00 13.42 H new ATOM 1142 N SER A 73 32.295 -8.005 -12.010 1.00 51.31 N ATOM 1143 CA SER A 73 31.485 -6.824 -11.734 1.00 41.12 C ATOM 1144 C SER A 73 31.578 -6.433 -10.262 1.00 74.53 C ATOM 1145 O SER A 73 31.055 -7.128 -9.391 1.00 3.33 O ATOM 1146 CB SER A 73 30.026 -7.080 -12.115 1.00 34.22 C ATOM 1147 OG SER A 73 29.830 -6.936 -13.511 1.00 13.32 O ATOM 0 H SER A 73 31.797 -8.755 -12.489 1.00 51.31 H new ATOM 0 HA SER A 73 31.871 -6.001 -12.335 1.00 41.12 H new ATOM 0 HB2 SER A 73 29.737 -8.085 -11.806 1.00 34.22 H new ATOM 0 HB3 SER A 73 29.380 -6.384 -11.580 1.00 34.22 H new ATOM 0 HG SER A 73 28.890 -7.106 -13.729 1.00 13.32 H new ATOM 1153 N ALA A 74 32.247 -5.317 -9.994 1.00 15.12 N ATOM 1154 CA ALA A 74 32.406 -4.832 -8.629 1.00 5.24 C ATOM 1155 C ALA A 74 31.063 -4.756 -7.912 1.00 54.41 C ATOM 1156 O ALA A 74 30.989 -4.914 -6.694 1.00 41.30 O ATOM 1157 CB ALA A 74 33.085 -3.470 -8.629 1.00 11.15 C ATOM 0 H ALA A 74 32.688 -4.732 -10.704 1.00 15.12 H new ATOM 0 HA ALA A 74 33.035 -5.540 -8.090 1.00 5.24 H new ATOM 0 HB1 ALA A 74 33.197 -3.120 -7.603 1.00 11.15 H new ATOM 0 HB2 ALA A 74 34.067 -3.553 -9.094 1.00 11.15 H new ATOM 0 HB3 ALA A 74 32.477 -2.760 -9.190 1.00 11.15 H new ATOM 1163 N GLU A 75 30.003 -4.512 -8.676 1.00 55.43 N ATOM 1164 CA GLU A 75 28.661 -4.413 -8.112 1.00 45.14 C ATOM 1165 C GLU A 75 27.667 -5.237 -8.926 1.00 2.42 C ATOM 1166 O GLU A 75 27.387 -4.926 -10.084 1.00 61.00 O ATOM 1167 CB GLU A 75 28.211 -2.952 -8.064 1.00 12.50 C ATOM 1168 CG GLU A 75 27.784 -2.492 -6.680 1.00 55.22 C ATOM 1169 CD GLU A 75 28.490 -1.224 -6.243 1.00 2.52 C ATOM 1170 OE1 GLU A 75 29.654 -1.316 -5.800 1.00 64.41 O ATOM 1171 OE2 GLU A 75 27.880 -0.139 -6.343 1.00 13.14 O ATOM 0 H GLU A 75 30.047 -4.379 -9.686 1.00 55.43 H new ATOM 0 HA GLU A 75 28.690 -4.810 -7.097 1.00 45.14 H new ATOM 0 HB2 GLU A 75 29.026 -2.318 -8.413 1.00 12.50 H new ATOM 0 HB3 GLU A 75 27.380 -2.813 -8.756 1.00 12.50 H new ATOM 0 HG2 GLU A 75 26.707 -2.324 -6.673 1.00 55.22 H new ATOM 0 HG3 GLU A 75 27.988 -3.284 -5.959 1.00 55.22 H new ATOM 1178 N CYS A 76 27.137 -6.289 -8.311 1.00 42.23 N ATOM 1179 CA CYS A 76 26.175 -7.159 -8.977 1.00 21.05 C ATOM 1180 C CYS A 76 24.793 -7.025 -8.344 1.00 73.23 C ATOM 1181 O CYS A 76 24.637 -7.167 -7.132 1.00 10.25 O ATOM 1182 CB CYS A 76 26.640 -8.615 -8.908 1.00 44.14 C ATOM 1183 SG CYS A 76 27.445 -9.210 -10.430 1.00 62.33 S ATOM 0 H CYS A 76 27.357 -6.560 -7.353 1.00 42.23 H new ATOM 0 HA CYS A 76 26.109 -6.855 -10.022 1.00 21.05 H new ATOM 0 HB2 CYS A 76 27.335 -8.724 -8.075 1.00 44.14 H new ATOM 0 HB3 CYS A 76 25.781 -9.250 -8.692 1.00 44.14 H new ATOM 1188 N SER A 77 23.792 -6.752 -9.175 1.00 50.24 N ATOM 1189 CA SER A 77 22.423 -6.595 -8.698 1.00 60.21 C ATOM 1190 C SER A 77 21.611 -7.862 -8.952 1.00 50.41 C ATOM 1191 O SER A 77 21.867 -8.594 -9.908 1.00 75.41 O ATOM 1192 CB SER A 77 21.755 -5.401 -9.383 1.00 70.50 C ATOM 1193 OG SER A 77 22.428 -5.059 -10.582 1.00 60.43 O ATOM 0 H SER A 77 23.904 -6.635 -10.182 1.00 50.24 H new ATOM 0 HA SER A 77 22.457 -6.415 -7.623 1.00 60.21 H new ATOM 0 HB2 SER A 77 20.714 -5.639 -9.602 1.00 70.50 H new ATOM 0 HB3 SER A 77 21.751 -4.545 -8.708 1.00 70.50 H new ATOM 0 HG SER A 77 21.981 -4.294 -11.001 1.00 60.43 H new ATOM 1199 N ILE A 78 20.632 -8.112 -8.089 1.00 70.03 N ATOM 1200 CA ILE A 78 19.782 -9.289 -8.220 1.00 55.51 C ATOM 1201 C ILE A 78 18.307 -8.916 -8.108 1.00 20.34 C ATOM 1202 O ILE A 78 17.926 -8.090 -7.278 1.00 33.12 O ATOM 1203 CB ILE A 78 20.115 -10.346 -7.151 1.00 64.15 C ATOM 1204 CG1 ILE A 78 21.583 -10.767 -7.260 1.00 15.22 C ATOM 1205 CG2 ILE A 78 19.201 -11.553 -7.297 1.00 34.02 C ATOM 1206 CD1 ILE A 78 22.453 -10.213 -6.154 1.00 1.12 C ATOM 0 H ILE A 78 20.408 -7.516 -7.292 1.00 70.03 H new ATOM 0 HA ILE A 78 19.975 -9.710 -9.207 1.00 55.51 H new ATOM 0 HB ILE A 78 19.953 -9.909 -6.166 1.00 64.15 H new ATOM 0 HG12 ILE A 78 21.643 -11.855 -7.248 1.00 15.22 H new ATOM 0 HG13 ILE A 78 21.977 -10.437 -8.221 1.00 15.22 H new ATOM 0 HG21 ILE A 78 19.449 -12.291 -6.534 1.00 34.02 H new ATOM 0 HG22 ILE A 78 18.164 -11.241 -7.176 1.00 34.02 H new ATOM 0 HG23 ILE A 78 19.335 -11.993 -8.285 1.00 34.02 H new ATOM 0 HD11 ILE A 78 23.480 -10.552 -6.294 1.00 1.12 H new ATOM 0 HD12 ILE A 78 22.423 -9.124 -6.179 1.00 1.12 H new ATOM 0 HD13 ILE A 78 22.084 -10.564 -5.190 1.00 1.12 H new ATOM 1218 N HIS A 79 17.481 -9.533 -8.947 1.00 51.30 N ATOM 1219 CA HIS A 79 16.047 -9.268 -8.941 1.00 14.05 C ATOM 1220 C HIS A 79 15.267 -10.510 -8.520 1.00 33.02 C ATOM 1221 O HIS A 79 15.619 -11.631 -8.889 1.00 34.32 O ATOM 1222 CB HIS A 79 15.586 -8.806 -10.323 1.00 74.12 C ATOM 1223 CG HIS A 79 16.480 -7.775 -10.940 1.00 24.35 C ATOM 1224 ND1 HIS A 79 17.629 -8.093 -11.633 1.00 71.41 N ATOM 1225 CD2 HIS A 79 16.389 -6.425 -10.965 1.00 70.02 C ATOM 1226 CE1 HIS A 79 18.206 -6.983 -12.057 1.00 62.42 C ATOM 1227 NE2 HIS A 79 17.473 -5.957 -11.665 1.00 44.34 N ATOM 0 H HIS A 79 17.780 -10.220 -9.639 1.00 51.30 H new ATOM 0 HA HIS A 79 15.852 -8.476 -8.218 1.00 14.05 H new ATOM 0 HB2 HIS A 79 15.530 -9.670 -10.986 1.00 74.12 H new ATOM 0 HB3 HIS A 79 14.578 -8.400 -10.243 1.00 74.12 H new ATOM 0 HD2 HIS A 79 15.609 -5.827 -10.518 1.00 70.02 H new ATOM 0 HE1 HIS A 79 19.121 -6.925 -12.627 1.00 62.42 H new ATOM 0 HE2 HIS A 79 17.679 -4.976 -11.852 1.00 44.34 H new ATOM 1235 N LEU A 80 14.207 -10.303 -7.745 1.00 64.25 N ATOM 1236 CA LEU A 80 13.377 -11.406 -7.274 1.00 25.43 C ATOM 1237 C LEU A 80 11.911 -10.993 -7.204 1.00 72.41 C ATOM 1238 O LEU A 80 11.595 -9.812 -7.072 1.00 0.53 O ATOM 1239 CB LEU A 80 13.853 -11.876 -5.898 1.00 12.24 C ATOM 1240 CG LEU A 80 13.025 -12.983 -5.243 1.00 44.33 C ATOM 1241 CD1 LEU A 80 13.907 -13.863 -4.371 1.00 33.11 C ATOM 1242 CD2 LEU A 80 11.888 -12.387 -4.426 1.00 45.41 C ATOM 0 H LEU A 80 13.903 -9.382 -7.430 1.00 64.25 H new ATOM 0 HA LEU A 80 13.470 -12.228 -7.984 1.00 25.43 H new ATOM 0 HB2 LEU A 80 14.881 -12.226 -5.991 1.00 12.24 H new ATOM 0 HB3 LEU A 80 13.868 -11.016 -5.228 1.00 12.24 H new ATOM 0 HG LEU A 80 12.594 -13.602 -6.030 1.00 44.33 H new ATOM 0 HD11 LEU A 80 13.301 -14.645 -3.913 1.00 33.11 H new ATOM 0 HD12 LEU A 80 14.685 -14.319 -4.983 1.00 33.11 H new ATOM 0 HD13 LEU A 80 14.368 -13.257 -3.591 1.00 33.11 H new ATOM 0 HD21 LEU A 80 11.310 -13.189 -3.968 1.00 45.41 H new ATOM 0 HD22 LEU A 80 12.298 -11.744 -3.647 1.00 45.41 H new ATOM 0 HD23 LEU A 80 11.241 -11.800 -5.077 1.00 45.41 H new ATOM 1254 N GLU A 81 11.020 -11.976 -7.292 1.00 53.02 N ATOM 1255 CA GLU A 81 9.586 -11.714 -7.238 1.00 4.44 C ATOM 1256 C GLU A 81 8.901 -12.640 -6.237 1.00 5.12 C ATOM 1257 O GLU A 81 8.910 -13.860 -6.397 1.00 73.40 O ATOM 1258 CB GLU A 81 8.960 -11.889 -8.623 1.00 2.03 C ATOM 1259 CG GLU A 81 8.921 -10.608 -9.440 1.00 22.44 C ATOM 1260 CD GLU A 81 9.911 -10.619 -10.588 1.00 52.04 C ATOM 1261 OE1 GLU A 81 11.107 -10.356 -10.343 1.00 31.23 O ATOM 1262 OE2 GLU A 81 9.490 -10.889 -11.732 1.00 71.44 O ATOM 0 H GLU A 81 11.265 -12.960 -7.401 1.00 53.02 H new ATOM 0 HA GLU A 81 9.443 -10.684 -6.911 1.00 4.44 H new ATOM 0 HB2 GLU A 81 9.521 -12.644 -9.173 1.00 2.03 H new ATOM 0 HB3 GLU A 81 7.944 -12.268 -8.508 1.00 2.03 H new ATOM 0 HG2 GLU A 81 7.915 -10.463 -9.834 1.00 22.44 H new ATOM 0 HG3 GLU A 81 9.134 -9.760 -8.789 1.00 22.44 H new ATOM 1269 N VAL A 82 8.309 -12.050 -5.203 1.00 23.30 N ATOM 1270 CA VAL A 82 7.619 -12.821 -4.176 1.00 21.03 C ATOM 1271 C VAL A 82 6.130 -12.933 -4.481 1.00 33.42 C ATOM 1272 O VAL A 82 5.386 -11.959 -4.362 1.00 3.14 O ATOM 1273 CB VAL A 82 7.800 -12.189 -2.783 1.00 4.11 C ATOM 1274 CG1 VAL A 82 7.405 -13.174 -1.694 1.00 24.24 C ATOM 1275 CG2 VAL A 82 9.235 -11.719 -2.594 1.00 60.50 C ATOM 0 H VAL A 82 8.294 -11.041 -5.055 1.00 23.30 H new ATOM 0 HA VAL A 82 8.063 -13.816 -4.176 1.00 21.03 H new ATOM 0 HB VAL A 82 7.145 -11.321 -2.709 1.00 4.11 H new ATOM 0 HG11 VAL A 82 7.540 -12.710 -0.717 1.00 24.24 H new ATOM 0 HG12 VAL A 82 6.360 -13.457 -1.821 1.00 24.24 H new ATOM 0 HG13 VAL A 82 8.032 -14.063 -1.763 1.00 24.24 H new ATOM 0 HG21 VAL A 82 9.345 -11.275 -1.605 1.00 60.50 H new ATOM 0 HG22 VAL A 82 9.911 -12.569 -2.688 1.00 60.50 H new ATOM 0 HG23 VAL A 82 9.478 -10.976 -3.354 1.00 60.50 H new ATOM 1285 N ILE A 83 5.700 -14.128 -4.874 1.00 44.32 N ATOM 1286 CA ILE A 83 4.299 -14.368 -5.195 1.00 11.32 C ATOM 1287 C ILE A 83 3.482 -14.624 -3.933 1.00 3.44 C ATOM 1288 O ILE A 83 3.728 -15.586 -3.206 1.00 22.24 O ATOM 1289 CB ILE A 83 4.137 -15.565 -6.149 1.00 72.52 C ATOM 1290 CG1 ILE A 83 5.075 -15.420 -7.349 1.00 53.23 C ATOM 1291 CG2 ILE A 83 2.692 -15.683 -6.611 1.00 31.34 C ATOM 1292 CD1 ILE A 83 6.407 -16.111 -7.162 1.00 61.22 C ATOM 0 H ILE A 83 6.302 -14.945 -4.978 1.00 44.32 H new ATOM 0 HA ILE A 83 3.930 -13.469 -5.688 1.00 11.32 H new ATOM 0 HB ILE A 83 4.402 -16.476 -5.612 1.00 72.52 H new ATOM 0 HG12 ILE A 83 4.585 -15.826 -8.234 1.00 53.23 H new ATOM 0 HG13 ILE A 83 5.248 -14.361 -7.539 1.00 53.23 H new ATOM 0 HG21 ILE A 83 2.594 -16.534 -7.285 1.00 31.34 H new ATOM 0 HG22 ILE A 83 2.044 -15.828 -5.746 1.00 31.34 H new ATOM 0 HG23 ILE A 83 2.401 -14.771 -7.133 1.00 31.34 H new ATOM 0 HD11 ILE A 83 7.020 -15.966 -8.052 1.00 61.22 H new ATOM 0 HD12 ILE A 83 6.918 -15.689 -6.297 1.00 61.22 H new ATOM 0 HD13 ILE A 83 6.245 -17.177 -7.003 1.00 61.22 H new ATOM 1304 N VAL A 84 2.508 -13.756 -3.679 1.00 12.13 N ATOM 1305 CA VAL A 84 1.652 -13.889 -2.506 1.00 31.21 C ATOM 1306 C VAL A 84 0.203 -14.139 -2.909 1.00 11.15 C ATOM 1307 O VAL A 84 -0.311 -13.513 -3.836 1.00 32.21 O ATOM 1308 CB VAL A 84 1.717 -12.632 -1.618 1.00 22.42 C ATOM 1309 CG1 VAL A 84 3.065 -12.541 -0.920 1.00 24.24 C ATOM 1310 CG2 VAL A 84 1.449 -11.383 -2.443 1.00 42.10 C ATOM 0 H VAL A 84 2.292 -12.953 -4.270 1.00 12.13 H new ATOM 0 HA VAL A 84 2.021 -14.744 -1.940 1.00 31.21 H new ATOM 0 HB VAL A 84 0.943 -12.707 -0.854 1.00 22.42 H new ATOM 0 HG11 VAL A 84 3.093 -11.647 -0.297 1.00 24.24 H new ATOM 0 HG12 VAL A 84 3.212 -13.423 -0.296 1.00 24.24 H new ATOM 0 HG13 VAL A 84 3.858 -12.488 -1.666 1.00 24.24 H new ATOM 0 HG21 VAL A 84 1.499 -10.504 -1.800 1.00 42.10 H new ATOM 0 HG22 VAL A 84 2.198 -11.299 -3.230 1.00 42.10 H new ATOM 0 HG23 VAL A 84 0.458 -11.449 -2.891 1.00 42.10 H new ATOM 1320 N ASP A 85 -0.451 -15.057 -2.205 1.00 41.21 N ATOM 1321 CA ASP A 85 -1.842 -15.389 -2.488 1.00 15.33 C ATOM 1322 C ASP A 85 -2.758 -14.883 -1.377 1.00 30.40 C ATOM 1323 O ASP A 85 -2.669 -15.332 -0.234 1.00 12.22 O ATOM 1324 CB ASP A 85 -2.005 -16.901 -2.651 1.00 53.34 C ATOM 1325 CG ASP A 85 -2.633 -17.275 -3.980 1.00 4.11 C ATOM 1326 OD1 ASP A 85 -1.886 -17.405 -4.973 1.00 55.11 O ATOM 1327 OD2 ASP A 85 -3.870 -17.439 -4.026 1.00 45.42 O ATOM 0 H ASP A 85 -0.040 -15.584 -1.435 1.00 41.21 H new ATOM 0 HA ASP A 85 -2.125 -14.899 -3.420 1.00 15.33 H new ATOM 0 HB2 ASP A 85 -1.030 -17.380 -2.566 1.00 53.34 H new ATOM 0 HB3 ASP A 85 -2.622 -17.287 -1.839 1.00 53.34 H new ATOM 1332 N ARG A 86 -3.636 -13.947 -1.721 1.00 72.21 N ATOM 1333 CA ARG A 86 -4.566 -13.379 -0.753 1.00 33.14 C ATOM 1334 C ARG A 86 -3.825 -12.546 0.289 1.00 52.33 C ATOM 1335 O ARG A 86 -3.476 -13.024 1.368 1.00 14.54 O ATOM 1336 CB ARG A 86 -5.359 -14.491 -0.062 1.00 43.40 C ATOM 1337 CG ARG A 86 -6.840 -14.483 -0.401 1.00 73.42 C ATOM 1338 CD ARG A 86 -7.629 -13.615 0.566 1.00 10.14 C ATOM 1339 NE ARG A 86 -9.067 -13.851 0.466 1.00 2.15 N ATOM 1340 CZ ARG A 86 -9.967 -13.240 1.229 1.00 44.31 C ATOM 1341 NH1 ARG A 86 -9.579 -12.360 2.142 1.00 41.00 N ATOM 1342 NH2 ARG A 86 -11.257 -13.508 1.078 1.00 14.52 N ATOM 0 H ARG A 86 -3.723 -13.566 -2.663 1.00 72.21 H new ATOM 0 HA ARG A 86 -5.257 -12.728 -1.289 1.00 33.14 H new ATOM 0 HB2 ARG A 86 -4.936 -15.456 -0.342 1.00 43.40 H new ATOM 0 HB3 ARG A 86 -5.241 -14.393 1.017 1.00 43.40 H new ATOM 0 HG2 ARG A 86 -6.979 -14.116 -1.418 1.00 73.42 H new ATOM 0 HG3 ARG A 86 -7.226 -15.502 -0.374 1.00 73.42 H new ATOM 0 HD2 ARG A 86 -7.299 -13.816 1.585 1.00 10.14 H new ATOM 0 HD3 ARG A 86 -7.419 -12.565 0.364 1.00 10.14 H new ATOM 0 HE ARG A 86 -9.398 -14.522 -0.228 1.00 2.15 H new ATOM 0 HH11 ARG A 86 -8.588 -12.151 2.260 1.00 41.00 H new ATOM 0 HH12 ARG A 86 -10.272 -11.892 2.726 1.00 41.00 H new ATOM 0 HH21 ARG A 86 -11.559 -14.184 0.376 1.00 14.52 H new ATOM 0 HH22 ARG A 86 -11.947 -13.039 1.664 1.00 14.52 H new ATOM 1356 N PRO A 87 -3.578 -11.269 -0.041 1.00 63.44 N ATOM 1357 CA PRO A 87 -3.988 -10.690 -1.324 1.00 4.20 C ATOM 1358 C PRO A 87 -3.188 -11.250 -2.495 1.00 73.33 C ATOM 1359 O PRO A 87 -2.092 -11.783 -2.314 1.00 53.32 O ATOM 1360 CB PRO A 87 -3.700 -9.197 -1.146 1.00 55.34 C ATOM 1361 CG PRO A 87 -2.626 -9.138 -0.116 1.00 14.53 C ATOM 1362 CD PRO A 87 -2.878 -10.294 0.812 1.00 73.13 C ATOM 0 HA PRO A 87 -5.029 -10.913 -1.558 1.00 4.20 H new ATOM 0 HB2 PRO A 87 -3.376 -8.742 -2.082 1.00 55.34 H new ATOM 0 HB3 PRO A 87 -4.590 -8.658 -0.821 1.00 55.34 H new ATOM 0 HG2 PRO A 87 -1.640 -9.214 -0.575 1.00 14.53 H new ATOM 0 HG3 PRO A 87 -2.654 -8.191 0.423 1.00 14.53 H new ATOM 0 HD2 PRO A 87 -1.948 -10.701 1.208 1.00 73.13 H new ATOM 0 HD3 PRO A 87 -3.486 -9.998 1.667 1.00 73.13 H new ATOM 1370 N LEU A 88 -3.742 -11.127 -3.696 1.00 74.33 N ATOM 1371 CA LEU A 88 -3.080 -11.621 -4.899 1.00 33.53 C ATOM 1372 C LEU A 88 -2.206 -10.539 -5.523 1.00 1.31 C ATOM 1373 O LEU A 88 -2.711 -9.549 -6.052 1.00 61.34 O ATOM 1374 CB LEU A 88 -4.118 -12.104 -5.914 1.00 44.33 C ATOM 1375 CG LEU A 88 -4.216 -13.618 -6.105 1.00 54.45 C ATOM 1376 CD1 LEU A 88 -2.860 -14.199 -6.473 1.00 40.20 C ATOM 1377 CD2 LEU A 88 -4.759 -14.280 -4.848 1.00 13.35 C ATOM 0 H LEU A 88 -4.648 -10.689 -3.863 1.00 74.33 H new ATOM 0 HA LEU A 88 -2.442 -12.458 -4.615 1.00 33.53 H new ATOM 0 HB2 LEU A 88 -5.096 -11.732 -5.608 1.00 44.33 H new ATOM 0 HB3 LEU A 88 -3.892 -11.650 -6.879 1.00 44.33 H new ATOM 0 HG LEU A 88 -4.907 -13.817 -6.924 1.00 54.45 H new ATOM 0 HD11 LEU A 88 -2.950 -15.277 -6.605 1.00 40.20 H new ATOM 0 HD12 LEU A 88 -2.511 -13.748 -7.402 1.00 40.20 H new ATOM 0 HD13 LEU A 88 -2.146 -13.989 -5.677 1.00 40.20 H new ATOM 0 HD21 LEU A 88 -4.822 -15.357 -5.002 1.00 13.35 H new ATOM 0 HD22 LEU A 88 -4.093 -14.072 -4.010 1.00 13.35 H new ATOM 0 HD23 LEU A 88 -5.752 -13.886 -4.629 1.00 13.35 H new ATOM 1389 N GLN A 89 -0.893 -10.735 -5.458 1.00 60.42 N ATOM 1390 CA GLN A 89 0.051 -9.776 -6.019 1.00 2.03 C ATOM 1391 C GLN A 89 1.488 -10.252 -5.830 1.00 13.13 C ATOM 1392 O GLN A 89 1.728 -11.350 -5.327 1.00 10.30 O ATOM 1393 CB GLN A 89 -0.134 -8.405 -5.366 1.00 55.02 C ATOM 1394 CG GLN A 89 -0.636 -7.338 -6.325 1.00 53.44 C ATOM 1395 CD GLN A 89 0.407 -6.276 -6.615 1.00 32.30 C ATOM 1396 OE1 GLN A 89 1.472 -6.569 -7.158 1.00 45.32 O ATOM 1397 NE2 GLN A 89 0.105 -5.035 -6.253 1.00 52.11 N ATOM 0 H GLN A 89 -0.459 -11.549 -5.023 1.00 60.42 H new ATOM 0 HA GLN A 89 -0.147 -9.692 -7.088 1.00 2.03 H new ATOM 0 HB2 GLN A 89 -0.837 -8.498 -4.538 1.00 55.02 H new ATOM 0 HB3 GLN A 89 0.817 -8.082 -4.942 1.00 55.02 H new ATOM 0 HG2 GLN A 89 -0.939 -7.809 -7.260 1.00 53.44 H new ATOM 0 HG3 GLN A 89 -1.523 -6.865 -5.904 1.00 53.44 H new ATOM 0 HE21 GLN A 89 -0.790 -4.838 -5.805 1.00 52.11 H new ATOM 0 HE22 GLN A 89 0.768 -4.279 -6.422 1.00 52.11 H new ATOM 1406 N VAL A 90 2.440 -9.419 -6.236 1.00 44.33 N ATOM 1407 CA VAL A 90 3.854 -9.754 -6.111 1.00 12.11 C ATOM 1408 C VAL A 90 4.628 -8.627 -5.436 1.00 31.43 C ATOM 1409 O VAL A 90 4.209 -7.470 -5.460 1.00 34.02 O ATOM 1410 CB VAL A 90 4.486 -10.044 -7.485 1.00 73.32 C ATOM 1411 CG1 VAL A 90 5.853 -10.689 -7.319 1.00 22.43 C ATOM 1412 CG2 VAL A 90 3.568 -10.928 -8.317 1.00 42.41 C ATOM 0 H VAL A 90 2.258 -8.507 -6.655 1.00 44.33 H new ATOM 0 HA VAL A 90 3.913 -10.652 -5.495 1.00 12.11 H new ATOM 0 HB VAL A 90 4.619 -9.099 -8.011 1.00 73.32 H new ATOM 0 HG11 VAL A 90 6.284 -10.886 -8.301 1.00 22.43 H new ATOM 0 HG12 VAL A 90 6.507 -10.017 -6.764 1.00 22.43 H new ATOM 0 HG13 VAL A 90 5.749 -11.627 -6.773 1.00 22.43 H new ATOM 0 HG21 VAL A 90 4.030 -11.123 -9.285 1.00 42.41 H new ATOM 0 HG22 VAL A 90 3.402 -11.872 -7.797 1.00 42.41 H new ATOM 0 HG23 VAL A 90 2.613 -10.423 -8.466 1.00 42.41 H new ATOM 1422 N PHE A 91 5.761 -8.974 -4.834 1.00 11.44 N ATOM 1423 CA PHE A 91 6.595 -7.991 -4.151 1.00 32.44 C ATOM 1424 C PHE A 91 7.964 -7.884 -4.815 1.00 50.15 C ATOM 1425 O PHE A 91 8.722 -8.853 -4.862 1.00 71.41 O ATOM 1426 CB PHE A 91 6.759 -8.367 -2.677 1.00 21.44 C ATOM 1427 CG PHE A 91 5.462 -8.412 -1.921 1.00 12.20 C ATOM 1428 CD1 PHE A 91 4.530 -7.395 -2.057 1.00 62.43 C ATOM 1429 CD2 PHE A 91 5.174 -9.470 -1.074 1.00 2.01 C ATOM 1430 CE1 PHE A 91 3.335 -7.433 -1.364 1.00 22.33 C ATOM 1431 CE2 PHE A 91 3.981 -9.514 -0.378 1.00 52.42 C ATOM 1432 CZ PHE A 91 3.061 -8.493 -0.522 1.00 73.52 C ATOM 0 H PHE A 91 6.123 -9.927 -4.805 1.00 11.44 H new ATOM 0 HA PHE A 91 6.101 -7.022 -4.219 1.00 32.44 H new ATOM 0 HB2 PHE A 91 7.243 -9.342 -2.611 1.00 21.44 H new ATOM 0 HB3 PHE A 91 7.424 -7.648 -2.199 1.00 21.44 H new ATOM 0 HD1 PHE A 91 4.740 -6.563 -2.712 1.00 62.43 H new ATOM 0 HD2 PHE A 91 5.890 -10.270 -0.956 1.00 2.01 H new ATOM 0 HE1 PHE A 91 2.617 -6.635 -1.481 1.00 22.33 H new ATOM 0 HE2 PHE A 91 3.768 -10.345 0.278 1.00 52.42 H new ATOM 0 HZ PHE A 91 2.129 -8.524 0.023 1.00 73.52 H new ATOM 1442 N HIS A 92 8.274 -6.698 -5.330 1.00 1.04 N ATOM 1443 CA HIS A 92 9.552 -6.463 -5.992 1.00 51.45 C ATOM 1444 C HIS A 92 10.699 -6.491 -4.987 1.00 20.41 C ATOM 1445 O HIS A 92 10.775 -5.650 -4.092 1.00 13.43 O ATOM 1446 CB HIS A 92 9.532 -5.119 -6.723 1.00 31.44 C ATOM 1447 CG HIS A 92 9.768 -5.236 -8.197 1.00 4.40 C ATOM 1448 ND1 HIS A 92 10.724 -4.500 -8.866 1.00 55.23 N ATOM 1449 CD2 HIS A 92 9.168 -6.009 -9.132 1.00 24.34 C ATOM 1450 CE1 HIS A 92 10.700 -4.815 -10.149 1.00 55.41 C ATOM 1451 NE2 HIS A 92 9.765 -5.729 -10.336 1.00 51.14 N ATOM 0 H HIS A 92 7.658 -5.886 -5.301 1.00 1.04 H new ATOM 0 HA HIS A 92 9.709 -7.261 -6.717 1.00 51.45 H new ATOM 0 HB2 HIS A 92 8.569 -4.637 -6.555 1.00 31.44 H new ATOM 0 HB3 HIS A 92 10.293 -4.469 -6.292 1.00 31.44 H new ATOM 0 HD2 HIS A 92 8.368 -6.715 -8.962 1.00 24.34 H new ATOM 0 HE1 HIS A 92 11.337 -4.396 -10.914 1.00 55.41 H new ATOM 0 HE2 HIS A 92 9.525 -6.157 -11.230 1.00 51.14 H new ATOM 1459 N VAL A 93 11.590 -7.466 -5.140 1.00 51.02 N ATOM 1460 CA VAL A 93 12.733 -7.604 -4.246 1.00 62.31 C ATOM 1461 C VAL A 93 14.047 -7.483 -5.011 1.00 14.13 C ATOM 1462 O VAL A 93 14.256 -8.162 -6.015 1.00 53.25 O ATOM 1463 CB VAL A 93 12.706 -8.954 -3.505 1.00 61.31 C ATOM 1464 CG1 VAL A 93 13.953 -9.119 -2.650 1.00 22.30 C ATOM 1465 CG2 VAL A 93 11.449 -9.071 -2.657 1.00 12.22 C ATOM 0 H VAL A 93 11.542 -8.172 -5.875 1.00 51.02 H new ATOM 0 HA VAL A 93 12.664 -6.796 -3.517 1.00 62.31 H new ATOM 0 HB VAL A 93 12.693 -9.754 -4.245 1.00 61.31 H new ATOM 0 HG11 VAL A 93 13.916 -10.078 -2.134 1.00 22.30 H new ATOM 0 HG12 VAL A 93 14.838 -9.083 -3.286 1.00 22.30 H new ATOM 0 HG13 VAL A 93 14.000 -8.314 -1.916 1.00 22.30 H new ATOM 0 HG21 VAL A 93 11.447 -10.031 -2.141 1.00 12.22 H new ATOM 0 HG22 VAL A 93 11.428 -8.265 -1.924 1.00 12.22 H new ATOM 0 HG23 VAL A 93 10.570 -9.002 -3.298 1.00 12.22 H new ATOM 1475 N GLU A 94 14.929 -6.614 -4.527 1.00 55.30 N ATOM 1476 CA GLU A 94 16.222 -6.404 -5.166 1.00 43.40 C ATOM 1477 C GLU A 94 17.351 -6.462 -4.141 1.00 2.31 C ATOM 1478 O GLU A 94 17.455 -5.602 -3.265 1.00 74.53 O ATOM 1479 CB GLU A 94 16.245 -5.056 -5.891 1.00 24.24 C ATOM 1480 CG GLU A 94 17.520 -4.812 -6.681 1.00 74.14 C ATOM 1481 CD GLU A 94 18.561 -4.048 -5.888 1.00 4.32 C ATOM 1482 OE1 GLU A 94 19.342 -4.692 -5.157 1.00 31.23 O ATOM 1483 OE2 GLU A 94 18.596 -2.804 -5.999 1.00 33.15 O ATOM 0 H GLU A 94 14.772 -6.045 -3.695 1.00 55.30 H new ATOM 0 HA GLU A 94 16.373 -7.202 -5.893 1.00 43.40 H new ATOM 0 HB2 GLU A 94 15.392 -5.002 -6.568 1.00 24.24 H new ATOM 0 HB3 GLU A 94 16.122 -4.257 -5.160 1.00 24.24 H new ATOM 0 HG2 GLU A 94 17.938 -5.769 -6.994 1.00 74.14 H new ATOM 0 HG3 GLU A 94 17.280 -4.257 -7.588 1.00 74.14 H new ATOM 1490 N VAL A 95 18.196 -7.482 -4.256 1.00 53.23 N ATOM 1491 CA VAL A 95 19.318 -7.653 -3.341 1.00 54.20 C ATOM 1492 C VAL A 95 20.648 -7.446 -4.057 1.00 75.21 C ATOM 1493 O VAL A 95 20.888 -8.022 -5.117 1.00 63.43 O ATOM 1494 CB VAL A 95 19.307 -9.051 -2.695 1.00 33.00 C ATOM 1495 CG1 VAL A 95 18.101 -9.208 -1.781 1.00 52.22 C ATOM 1496 CG2 VAL A 95 19.319 -10.132 -3.765 1.00 62.02 C ATOM 0 H VAL A 95 18.124 -8.203 -4.974 1.00 53.23 H new ATOM 0 HA VAL A 95 19.208 -6.900 -2.561 1.00 54.20 H new ATOM 0 HB VAL A 95 20.207 -9.160 -2.090 1.00 33.00 H new ATOM 0 HG11 VAL A 95 18.110 -10.202 -1.334 1.00 52.22 H new ATOM 0 HG12 VAL A 95 18.141 -8.455 -0.994 1.00 52.22 H new ATOM 0 HG13 VAL A 95 17.186 -9.079 -2.360 1.00 52.22 H new ATOM 0 HG21 VAL A 95 19.311 -11.113 -3.291 1.00 62.02 H new ATOM 0 HG22 VAL A 95 18.438 -10.028 -4.398 1.00 62.02 H new ATOM 0 HG23 VAL A 95 20.217 -10.031 -4.374 1.00 62.02 H new ATOM 1506 N GLU A 96 21.508 -6.620 -3.470 1.00 32.34 N ATOM 1507 CA GLU A 96 22.814 -6.338 -4.053 1.00 0.34 C ATOM 1508 C GLU A 96 23.926 -6.997 -3.242 1.00 0.13 C ATOM 1509 O GLU A 96 23.770 -7.256 -2.048 1.00 53.43 O ATOM 1510 CB GLU A 96 23.048 -4.827 -4.126 1.00 63.44 C ATOM 1511 CG GLU A 96 23.873 -4.397 -5.328 1.00 25.44 C ATOM 1512 CD GLU A 96 23.437 -3.057 -5.886 1.00 14.12 C ATOM 1513 OE1 GLU A 96 23.929 -2.020 -5.394 1.00 53.02 O ATOM 1514 OE2 GLU A 96 22.602 -3.045 -6.815 1.00 22.50 O ATOM 0 H GLU A 96 21.324 -6.135 -2.592 1.00 32.34 H new ATOM 0 HA GLU A 96 22.830 -6.751 -5.062 1.00 0.34 H new ATOM 0 HB2 GLU A 96 22.084 -4.319 -4.157 1.00 63.44 H new ATOM 0 HB3 GLU A 96 23.551 -4.501 -3.215 1.00 63.44 H new ATOM 0 HG2 GLU A 96 24.923 -4.343 -5.042 1.00 25.44 H new ATOM 0 HG3 GLU A 96 23.794 -5.154 -6.108 1.00 25.44 H new ATOM 1521 N VAL A 97 25.049 -7.267 -3.899 1.00 44.11 N ATOM 1522 CA VAL A 97 26.188 -7.895 -3.240 1.00 64.35 C ATOM 1523 C VAL A 97 27.207 -6.854 -2.791 1.00 14.43 C ATOM 1524 O VAL A 97 27.484 -5.892 -3.508 1.00 21.13 O ATOM 1525 CB VAL A 97 26.884 -8.910 -4.168 1.00 55.40 C ATOM 1526 CG1 VAL A 97 26.059 -10.183 -4.280 1.00 63.20 C ATOM 1527 CG2 VAL A 97 27.124 -8.298 -5.540 1.00 25.30 C ATOM 0 H VAL A 97 25.195 -7.061 -4.887 1.00 44.11 H new ATOM 0 HA VAL A 97 25.798 -8.418 -2.367 1.00 64.35 H new ATOM 0 HB VAL A 97 27.851 -9.169 -3.736 1.00 55.40 H new ATOM 0 HG11 VAL A 97 26.566 -10.888 -4.939 1.00 63.20 H new ATOM 0 HG12 VAL A 97 25.942 -10.629 -3.292 1.00 63.20 H new ATOM 0 HG13 VAL A 97 25.077 -9.945 -4.689 1.00 63.20 H new ATOM 0 HG21 VAL A 97 27.616 -9.028 -6.183 1.00 25.30 H new ATOM 0 HG22 VAL A 97 26.170 -8.010 -5.982 1.00 25.30 H new ATOM 0 HG23 VAL A 97 27.758 -7.417 -5.440 1.00 25.30 H new ATOM 1537 N ARG A 98 27.761 -7.052 -1.599 1.00 53.21 N ATOM 1538 CA ARG A 98 28.748 -6.129 -1.053 1.00 3.12 C ATOM 1539 C ARG A 98 30.103 -6.813 -0.896 1.00 44.23 C ATOM 1540 O ARG A 98 30.239 -7.779 -0.145 1.00 4.41 O ATOM 1541 CB ARG A 98 28.279 -5.588 0.299 1.00 41.21 C ATOM 1542 CG ARG A 98 29.217 -4.554 0.900 1.00 23.11 C ATOM 1543 CD ARG A 98 30.139 -5.175 1.938 1.00 34.04 C ATOM 1544 NE ARG A 98 30.735 -4.169 2.812 1.00 2.45 N ATOM 1545 CZ ARG A 98 30.077 -3.568 3.798 1.00 25.21 C ATOM 1546 NH1 ARG A 98 28.809 -3.872 4.034 1.00 55.51 N ATOM 1547 NH2 ARG A 98 30.689 -2.663 4.550 1.00 3.55 N ATOM 0 H ARG A 98 27.543 -7.843 -0.993 1.00 53.21 H new ATOM 0 HA ARG A 98 28.857 -5.299 -1.751 1.00 3.12 H new ATOM 0 HB2 ARG A 98 27.291 -5.144 0.180 1.00 41.21 H new ATOM 0 HB3 ARG A 98 28.173 -6.419 0.996 1.00 41.21 H new ATOM 0 HG2 ARG A 98 29.813 -4.098 0.109 1.00 23.11 H new ATOM 0 HG3 ARG A 98 28.634 -3.756 1.360 1.00 23.11 H new ATOM 0 HD2 ARG A 98 29.578 -5.891 2.539 1.00 34.04 H new ATOM 0 HD3 ARG A 98 30.929 -5.732 1.434 1.00 34.04 H new ATOM 0 HE ARG A 98 31.710 -3.913 2.657 1.00 2.45 H new ATOM 0 HH11 ARG A 98 28.336 -4.569 3.458 1.00 55.51 H new ATOM 0 HH12 ARG A 98 28.306 -3.409 4.791 1.00 55.51 H new ATOM 0 HH21 ARG A 98 31.665 -2.428 4.372 1.00 3.55 H new ATOM 0 HH22 ARG A 98 30.183 -2.202 5.307 1.00 3.55 H new ATOM 1561 N ASP A 99 31.102 -6.306 -1.611 1.00 11.12 N ATOM 1562 CA ASP A 99 32.447 -6.867 -1.551 1.00 74.12 C ATOM 1563 C ASP A 99 33.419 -6.038 -2.385 1.00 32.31 C ATOM 1564 O ASP A 99 33.068 -4.969 -2.885 1.00 33.14 O ATOM 1565 CB ASP A 99 32.440 -8.315 -2.043 1.00 21.44 C ATOM 1566 CG ASP A 99 32.916 -9.289 -0.982 1.00 40.22 C ATOM 1567 OD1 ASP A 99 32.668 -9.031 0.215 1.00 45.35 O ATOM 1568 OD2 ASP A 99 33.535 -10.309 -1.349 1.00 62.11 O ATOM 0 H ASP A 99 31.006 -5.508 -2.239 1.00 11.12 H new ATOM 0 HA ASP A 99 32.778 -6.846 -0.513 1.00 74.12 H new ATOM 0 HB2 ASP A 99 31.431 -8.585 -2.354 1.00 21.44 H new ATOM 0 HB3 ASP A 99 33.078 -8.400 -2.923 1.00 21.44 H new ATOM 1573 N ILE A 100 34.641 -6.538 -2.530 1.00 23.43 N ATOM 1574 CA ILE A 100 35.664 -5.844 -3.303 1.00 15.04 C ATOM 1575 C ILE A 100 36.164 -6.709 -4.454 1.00 41.04 C ATOM 1576 O ILE A 100 36.068 -7.935 -4.411 1.00 13.42 O ATOM 1577 CB ILE A 100 36.860 -5.441 -2.420 1.00 71.33 C ATOM 1578 CG1 ILE A 100 36.369 -4.852 -1.096 1.00 65.12 C ATOM 1579 CG2 ILE A 100 37.747 -4.446 -3.153 1.00 0.10 C ATOM 1580 CD1 ILE A 100 35.469 -3.649 -1.267 1.00 12.21 C ATOM 0 H ILE A 100 34.947 -7.421 -2.122 1.00 23.43 H new ATOM 0 HA ILE A 100 35.200 -4.943 -3.704 1.00 15.04 H new ATOM 0 HB ILE A 100 37.449 -6.332 -2.203 1.00 71.33 H new ATOM 0 HG12 ILE A 100 35.832 -5.622 -0.542 1.00 65.12 H new ATOM 0 HG13 ILE A 100 37.231 -4.568 -0.492 1.00 65.12 H new ATOM 0 HG21 ILE A 100 38.588 -4.170 -2.517 1.00 0.10 H new ATOM 0 HG22 ILE A 100 38.120 -4.899 -4.071 1.00 0.10 H new ATOM 0 HG23 ILE A 100 37.169 -3.554 -3.397 1.00 0.10 H new ATOM 0 HD11 ILE A 100 35.159 -3.284 -0.288 1.00 12.21 H new ATOM 0 HD12 ILE A 100 36.010 -2.862 -1.793 1.00 12.21 H new ATOM 0 HD13 ILE A 100 34.589 -3.932 -1.844 1.00 12.21 H new