USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 539 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 45 TYR OH : rot -140:sc= 0.542 USER MOD Set 1.2: A 48 THR OG1 : rot 91:sc= 0.768 USER MOD Set 2.1: A 9 TYR OH : rot 2:sc= 1.62 USER MOD Set 2.2: A 35 TYR OH : rot 15:sc= 0.419 USER MOD Set 2.3: A 38 THR OG1 : rot -58:sc= 0.216 USER MOD Set 3.1: A 6 THR OG1 : rot 30:sc= 0.261 USER MOD Set 3.2: A 71 ASN : amide:sc= -0.586 K(o=-0.33,f=0.49) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0144) USER MOD Single : A 18 GLN : amide:sc= -2.86! K(o=-2.9!,f=-1.3) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0.0745 (180deg=-0.0156) USER MOD Single : A 29 THR OG1 : rot 71:sc= 0.561 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 34 THR OG1 : rot 44:sc= 0.337 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -128:sc= 0.775 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -1.52! (180deg=-3.38!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -26:sc= 0.225 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -108:sc= 0.266 USER MOD Single : A 75 HIS : no HD1:sc= 0.476 K(o=0.74,f=-2.5!) USER MOD Single : A 77 LYS NZ :NH3+ -129:sc= 1.11 (180deg=-0.086) USER MOD Single : A 78 HIS : no HD1:sc= -0.0131 K(o=-0.013,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -3.863 20.847 0.980 1.00 61.22 N ATOM 21 CA ASP A 2 -3.816 19.473 0.441 1.00 50.33 C ATOM 22 C ASP A 2 -3.270 18.490 1.507 1.00 33.04 C ATOM 23 O ASP A 2 -2.279 18.783 2.186 1.00 5.31 O ATOM 24 CB ASP A 2 -2.919 19.434 -0.823 1.00 62.41 C ATOM 25 CG ASP A 2 -3.421 20.373 -1.931 1.00 51.25 C ATOM 26 OD1 ASP A 2 -3.116 21.586 -1.886 1.00 30.24 O ATOM 27 OD2 ASP A 2 -4.142 19.910 -2.838 1.00 44.54 O ATOM 0 HA ASP A 2 -4.828 19.168 0.173 1.00 50.33 H new ATOM 0 HB2 ASP A 2 -1.901 19.711 -0.550 1.00 62.41 H new ATOM 0 HB3 ASP A 2 -2.880 18.414 -1.206 1.00 62.41 H new ATOM 32 N GLU A 3 -3.930 17.332 1.653 1.00 55.44 N ATOM 33 CA GLU A 3 -3.468 16.231 2.528 1.00 22.31 C ATOM 34 C GLU A 3 -3.090 14.991 1.683 1.00 62.31 C ATOM 35 O GLU A 3 -3.711 14.702 0.653 1.00 64.33 O ATOM 36 CB GLU A 3 -4.522 15.877 3.621 1.00 15.44 C ATOM 37 CG GLU A 3 -5.994 15.751 3.147 1.00 3.34 C ATOM 38 CD GLU A 3 -6.772 17.078 3.188 1.00 15.33 C ATOM 39 OE1 GLU A 3 -6.654 17.888 2.254 1.00 4.24 O ATOM 40 OE2 GLU A 3 -7.508 17.323 4.162 1.00 64.24 O ATOM 0 H GLU A 3 -4.803 17.126 1.168 1.00 55.44 H new ATOM 0 HA GLU A 3 -2.575 16.573 3.052 1.00 22.31 H new ATOM 0 HB2 GLU A 3 -4.230 14.934 4.084 1.00 15.44 H new ATOM 0 HB3 GLU A 3 -4.478 16.640 4.398 1.00 15.44 H new ATOM 0 HG2 GLU A 3 -6.007 15.364 2.128 1.00 3.34 H new ATOM 0 HG3 GLU A 3 -6.507 15.020 3.772 1.00 3.34 H new ATOM 47 N ASP A 4 -2.053 14.268 2.140 1.00 23.23 N ATOM 48 CA ASP A 4 -1.403 13.183 1.372 1.00 25.11 C ATOM 49 C ASP A 4 -1.721 11.772 1.916 1.00 74.34 C ATOM 50 O ASP A 4 -2.300 11.601 2.999 1.00 22.44 O ATOM 51 CB ASP A 4 0.135 13.414 1.348 1.00 3.13 C ATOM 52 CG ASP A 4 0.764 13.479 2.753 1.00 2.14 C ATOM 53 OD1 ASP A 4 0.601 14.520 3.442 1.00 55.43 O ATOM 54 OD2 ASP A 4 1.401 12.492 3.185 1.00 64.13 O ATOM 0 H ASP A 4 -1.637 14.418 3.059 1.00 23.23 H new ATOM 0 HA ASP A 4 -1.809 13.220 0.361 1.00 25.11 H new ATOM 0 HB2 ASP A 4 0.607 12.610 0.783 1.00 3.13 H new ATOM 0 HB3 ASP A 4 0.348 14.343 0.819 1.00 3.13 H new ATOM 59 N ALA A 5 -1.333 10.778 1.108 1.00 2.04 N ATOM 60 CA ALA A 5 -1.367 9.350 1.444 1.00 4.44 C ATOM 61 C ALA A 5 -0.193 8.655 0.714 1.00 24.41 C ATOM 62 O ALA A 5 -0.114 8.694 -0.522 1.00 22.11 O ATOM 63 CB ALA A 5 -2.721 8.735 1.041 1.00 34.02 C ATOM 0 H ALA A 5 -0.974 10.952 0.169 1.00 2.04 H new ATOM 0 HA ALA A 5 -1.259 9.210 2.520 1.00 4.44 H new ATOM 0 HB1 ALA A 5 -2.730 7.676 1.297 1.00 34.02 H new ATOM 0 HB2 ALA A 5 -3.525 9.244 1.573 1.00 34.02 H new ATOM 0 HB3 ALA A 5 -2.868 8.850 -0.033 1.00 34.02 H new ATOM 69 N THR A 6 0.739 8.051 1.473 1.00 53.02 N ATOM 70 CA THR A 6 1.939 7.401 0.897 1.00 14.41 C ATOM 71 C THR A 6 1.791 5.873 0.952 1.00 13.22 C ATOM 72 O THR A 6 1.599 5.290 2.022 1.00 64.33 O ATOM 73 CB THR A 6 3.257 7.825 1.638 1.00 10.43 C ATOM 74 OG1 THR A 6 3.210 7.441 3.024 1.00 12.12 O ATOM 75 CG2 THR A 6 3.530 9.342 1.519 1.00 42.51 C ATOM 0 H THR A 6 0.687 7.997 2.490 1.00 53.02 H new ATOM 0 HA THR A 6 2.017 7.731 -0.139 1.00 14.41 H new ATOM 0 HB THR A 6 4.078 7.300 1.149 1.00 10.43 H new ATOM 0 HG1 THR A 6 2.659 6.637 3.122 1.00 12.12 H new ATOM 0 HG21 THR A 6 4.451 9.588 2.047 1.00 42.51 H new ATOM 0 HG22 THR A 6 3.630 9.612 0.468 1.00 42.51 H new ATOM 0 HG23 THR A 6 2.701 9.896 1.959 1.00 42.51 H new ATOM 83 N ILE A 7 1.905 5.231 -0.215 1.00 14.31 N ATOM 84 CA ILE A 7 1.740 3.775 -0.356 1.00 72.24 C ATOM 85 C ILE A 7 3.131 3.133 -0.503 1.00 51.21 C ATOM 86 O ILE A 7 3.711 3.122 -1.597 1.00 4.33 O ATOM 87 CB ILE A 7 0.848 3.421 -1.609 1.00 53.12 C ATOM 88 CG1 ILE A 7 -0.400 4.361 -1.695 1.00 12.22 C ATOM 89 CG2 ILE A 7 0.423 1.931 -1.576 1.00 61.22 C ATOM 90 CD1 ILE A 7 -1.125 4.332 -3.034 1.00 51.21 C ATOM 0 H ILE A 7 2.115 5.705 -1.093 1.00 14.31 H new ATOM 0 HA ILE A 7 1.237 3.387 0.530 1.00 72.24 H new ATOM 0 HB ILE A 7 1.446 3.582 -2.506 1.00 53.12 H new ATOM 0 HG12 ILE A 7 -1.103 4.082 -0.910 1.00 12.22 H new ATOM 0 HG13 ILE A 7 -0.083 5.384 -1.491 1.00 12.22 H new ATOM 0 HG21 ILE A 7 -0.191 1.708 -2.449 1.00 61.22 H new ATOM 0 HG22 ILE A 7 1.311 1.299 -1.586 1.00 61.22 H new ATOM 0 HG23 ILE A 7 -0.150 1.736 -0.670 1.00 61.22 H new ATOM 0 HD11 ILE A 7 -1.976 5.013 -3.002 1.00 51.21 H new ATOM 0 HD12 ILE A 7 -0.442 4.642 -3.825 1.00 51.21 H new ATOM 0 HD13 ILE A 7 -1.478 3.320 -3.235 1.00 51.21 H new ATOM 102 N THR A 8 3.675 2.614 0.599 1.00 20.34 N ATOM 103 CA THR A 8 5.049 2.087 0.629 1.00 45.30 C ATOM 104 C THR A 8 5.025 0.548 0.673 1.00 12.41 C ATOM 105 O THR A 8 4.585 -0.051 1.669 1.00 41.05 O ATOM 106 CB THR A 8 5.856 2.644 1.856 1.00 25.31 C ATOM 107 OG1 THR A 8 5.771 4.080 1.884 1.00 51.12 O ATOM 108 CG2 THR A 8 7.348 2.231 1.804 1.00 13.52 C ATOM 0 H THR A 8 3.184 2.545 1.491 1.00 20.34 H new ATOM 0 HA THR A 8 5.551 2.417 -0.281 1.00 45.30 H new ATOM 0 HB THR A 8 5.414 2.217 2.756 1.00 25.31 H new ATOM 0 HG1 THR A 8 6.274 4.423 2.652 1.00 51.12 H new ATOM 0 HG21 THR A 8 7.868 2.637 2.671 1.00 13.52 H new ATOM 0 HG22 THR A 8 7.425 1.144 1.811 1.00 13.52 H new ATOM 0 HG23 THR A 8 7.802 2.621 0.893 1.00 13.52 H new ATOM 116 N TYR A 9 5.466 -0.085 -0.429 1.00 71.13 N ATOM 117 CA TYR A 9 5.713 -1.536 -0.469 1.00 3.33 C ATOM 118 C TYR A 9 7.001 -1.846 0.320 1.00 15.45 C ATOM 119 O TYR A 9 8.050 -1.248 0.066 1.00 43.33 O ATOM 120 CB TYR A 9 5.846 -2.038 -1.932 1.00 21.44 C ATOM 121 CG TYR A 9 4.546 -1.979 -2.758 1.00 35.34 C ATOM 122 CD1 TYR A 9 4.052 -0.767 -3.262 1.00 45.10 C ATOM 123 CD2 TYR A 9 3.810 -3.139 -3.028 1.00 43.33 C ATOM 124 CE1 TYR A 9 2.885 -0.722 -4.000 1.00 12.53 C ATOM 125 CE2 TYR A 9 2.645 -3.095 -3.768 1.00 4.05 C ATOM 126 CZ TYR A 9 2.186 -1.885 -4.248 1.00 54.40 C ATOM 127 OH TYR A 9 1.027 -1.839 -4.986 1.00 44.11 O ATOM 0 H TYR A 9 5.660 0.391 -1.310 1.00 71.13 H new ATOM 0 HA TYR A 9 4.867 -2.054 -0.016 1.00 3.33 H new ATOM 0 HB2 TYR A 9 6.608 -1.444 -2.437 1.00 21.44 H new ATOM 0 HB3 TYR A 9 6.203 -3.068 -1.917 1.00 21.44 H new ATOM 0 HD1 TYR A 9 4.594 0.147 -3.070 1.00 45.10 H new ATOM 0 HD2 TYR A 9 4.161 -4.088 -2.650 1.00 43.33 H new ATOM 0 HE1 TYR A 9 2.521 0.221 -4.381 1.00 12.53 H new ATOM 0 HE2 TYR A 9 2.096 -4.003 -3.970 1.00 4.05 H new ATOM 0 HH TYR A 9 0.864 -0.919 -5.282 1.00 44.11 H new ATOM 137 N VAL A 10 6.890 -2.741 1.305 1.00 43.04 N ATOM 138 CA VAL A 10 8.014 -3.159 2.168 1.00 24.34 C ATOM 139 C VAL A 10 8.147 -4.689 2.171 1.00 72.42 C ATOM 140 O VAL A 10 7.156 -5.412 2.002 1.00 21.11 O ATOM 141 CB VAL A 10 7.839 -2.633 3.642 1.00 32.52 C ATOM 142 CG1 VAL A 10 7.904 -1.090 3.687 1.00 21.45 C ATOM 143 CG2 VAL A 10 6.529 -3.157 4.284 1.00 33.54 C ATOM 0 H VAL A 10 6.011 -3.205 1.534 1.00 43.04 H new ATOM 0 HA VAL A 10 8.923 -2.720 1.758 1.00 24.34 H new ATOM 0 HB VAL A 10 8.668 -3.024 4.232 1.00 32.52 H new ATOM 0 HG11 VAL A 10 7.781 -0.750 4.715 1.00 21.45 H new ATOM 0 HG12 VAL A 10 8.870 -0.755 3.308 1.00 21.45 H new ATOM 0 HG13 VAL A 10 7.108 -0.674 3.070 1.00 21.45 H new ATOM 0 HG21 VAL A 10 6.443 -2.773 5.301 1.00 33.54 H new ATOM 0 HG22 VAL A 10 5.675 -2.820 3.696 1.00 33.54 H new ATOM 0 HG23 VAL A 10 6.546 -4.247 4.308 1.00 33.54 H new ATOM 153 N ASP A 11 9.376 -5.177 2.367 1.00 4.35 N ATOM 154 CA ASP A 11 9.665 -6.614 2.381 1.00 12.45 C ATOM 155 C ASP A 11 9.595 -7.138 3.828 1.00 43.30 C ATOM 156 O ASP A 11 10.551 -7.018 4.597 1.00 41.34 O ATOM 157 CB ASP A 11 11.049 -6.897 1.739 1.00 45.32 C ATOM 158 CG ASP A 11 11.183 -8.341 1.260 1.00 22.43 C ATOM 159 OD1 ASP A 11 11.505 -9.224 2.072 1.00 63.23 O ATOM 160 OD2 ASP A 11 10.941 -8.599 0.073 1.00 42.42 O ATOM 0 H ASP A 11 10.196 -4.589 2.520 1.00 4.35 H new ATOM 0 HA ASP A 11 8.918 -7.141 1.787 1.00 12.45 H new ATOM 0 HB2 ASP A 11 11.201 -6.222 0.897 1.00 45.32 H new ATOM 0 HB3 ASP A 11 11.834 -6.683 2.465 1.00 45.32 H new ATOM 165 N ASP A 12 8.431 -7.701 4.175 1.00 22.25 N ATOM 166 CA ASP A 12 8.138 -8.285 5.495 1.00 1.43 C ATOM 167 C ASP A 12 9.073 -9.485 5.840 1.00 13.54 C ATOM 168 O ASP A 12 9.210 -9.855 7.008 1.00 25.32 O ATOM 169 CB ASP A 12 6.647 -8.711 5.514 1.00 14.21 C ATOM 170 CG ASP A 12 6.106 -8.997 6.918 1.00 65.23 C ATOM 171 OD1 ASP A 12 5.881 -8.033 7.677 1.00 63.32 O ATOM 172 OD2 ASP A 12 5.920 -10.172 7.277 1.00 14.25 O ATOM 0 H ASP A 12 7.644 -7.766 3.530 1.00 22.25 H new ATOM 0 HA ASP A 12 8.327 -7.535 6.263 1.00 1.43 H new ATOM 0 HB2 ASP A 12 6.048 -7.924 5.057 1.00 14.21 H new ATOM 0 HB3 ASP A 12 6.525 -9.602 4.899 1.00 14.21 H new ATOM 177 N ASP A 13 9.706 -10.080 4.810 1.00 63.43 N ATOM 178 CA ASP A 13 10.701 -11.169 4.976 1.00 62.04 C ATOM 179 C ASP A 13 12.098 -10.597 5.350 1.00 23.23 C ATOM 180 O ASP A 13 12.895 -11.262 6.016 1.00 54.13 O ATOM 181 CB ASP A 13 10.772 -11.979 3.653 1.00 2.52 C ATOM 182 CG ASP A 13 11.551 -13.300 3.733 1.00 50.24 C ATOM 183 OD1 ASP A 13 12.792 -13.290 3.582 1.00 42.02 O ATOM 184 OD2 ASP A 13 10.915 -14.364 3.919 1.00 22.25 O ATOM 0 H ASP A 13 9.545 -9.822 3.836 1.00 63.43 H new ATOM 0 HA ASP A 13 10.392 -11.823 5.792 1.00 62.04 H new ATOM 0 HB2 ASP A 13 9.756 -12.195 3.324 1.00 2.52 H new ATOM 0 HB3 ASP A 13 11.229 -11.353 2.887 1.00 2.52 H new ATOM 189 N LYS A 14 12.370 -9.342 4.943 1.00 14.40 N ATOM 190 CA LYS A 14 13.700 -8.699 5.091 1.00 12.33 C ATOM 191 C LYS A 14 13.623 -7.496 6.078 1.00 12.14 C ATOM 192 O LYS A 14 14.231 -6.437 5.862 1.00 73.01 O ATOM 193 CB LYS A 14 14.224 -8.267 3.678 1.00 24.52 C ATOM 194 CG LYS A 14 15.763 -8.047 3.549 1.00 75.04 C ATOM 195 CD LYS A 14 16.579 -9.347 3.254 1.00 30.11 C ATOM 196 CE LYS A 14 16.593 -10.379 4.402 1.00 25.35 C ATOM 197 NZ LYS A 14 17.212 -9.846 5.643 1.00 4.02 N ATOM 0 H LYS A 14 11.675 -8.740 4.501 1.00 14.40 H new ATOM 0 HA LYS A 14 14.407 -9.411 5.517 1.00 12.33 H new ATOM 0 HB2 LYS A 14 13.925 -9.026 2.955 1.00 24.52 H new ATOM 0 HB3 LYS A 14 13.721 -7.342 3.395 1.00 24.52 H new ATOM 0 HG2 LYS A 14 15.949 -7.327 2.752 1.00 75.04 H new ATOM 0 HG3 LYS A 14 16.133 -7.602 4.473 1.00 75.04 H new ATOM 0 HD2 LYS A 14 16.169 -9.822 2.363 1.00 30.11 H new ATOM 0 HD3 LYS A 14 17.607 -9.069 3.022 1.00 30.11 H new ATOM 0 HE2 LYS A 14 15.571 -10.693 4.616 1.00 25.35 H new ATOM 0 HE3 LYS A 14 17.138 -11.267 4.081 1.00 25.35 H new ATOM 0 HZ1 LYS A 14 17.257 -10.599 6.359 1.00 4.02 H new ATOM 0 HZ2 LYS A 14 18.173 -9.508 5.434 1.00 4.02 H new ATOM 0 HZ3 LYS A 14 16.639 -9.057 6.006 1.00 4.02 H new ATOM 211 N GLY A 15 12.872 -7.699 7.179 1.00 44.42 N ATOM 212 CA GLY A 15 12.733 -6.702 8.260 1.00 4.03 C ATOM 213 C GLY A 15 12.098 -5.365 7.842 1.00 24.13 C ATOM 214 O GLY A 15 12.392 -4.318 8.430 1.00 65.35 O ATOM 0 H GLY A 15 12.346 -8.557 7.344 1.00 44.42 H new ATOM 0 HA2 GLY A 15 12.132 -7.137 9.058 1.00 4.03 H new ATOM 0 HA3 GLY A 15 13.720 -6.502 8.677 1.00 4.03 H new ATOM 218 N GLY A 16 11.229 -5.409 6.820 1.00 13.42 N ATOM 219 CA GLY A 16 10.515 -4.221 6.322 1.00 15.44 C ATOM 220 C GLY A 16 11.323 -3.343 5.348 1.00 71.40 C ATOM 221 O GLY A 16 11.027 -2.155 5.205 1.00 71.42 O ATOM 0 H GLY A 16 11.001 -6.266 6.316 1.00 13.42 H new ATOM 0 HA2 GLY A 16 9.602 -4.546 5.824 1.00 15.44 H new ATOM 0 HA3 GLY A 16 10.214 -3.612 7.174 1.00 15.44 H new ATOM 225 N ALA A 17 12.336 -3.928 4.669 1.00 72.33 N ATOM 226 CA ALA A 17 13.168 -3.204 3.665 1.00 34.21 C ATOM 227 C ALA A 17 12.372 -2.948 2.360 1.00 41.24 C ATOM 228 O ALA A 17 11.782 -3.868 1.814 1.00 55.21 O ATOM 229 CB ALA A 17 14.451 -4.004 3.371 1.00 41.43 C ATOM 0 H ALA A 17 12.602 -4.904 4.795 1.00 72.33 H new ATOM 0 HA ALA A 17 13.443 -2.235 4.080 1.00 34.21 H new ATOM 0 HB1 ALA A 17 15.053 -3.469 2.637 1.00 41.43 H new ATOM 0 HB2 ALA A 17 15.023 -4.125 4.291 1.00 41.43 H new ATOM 0 HB3 ALA A 17 14.186 -4.985 2.977 1.00 41.43 H new ATOM 235 N GLN A 18 12.411 -1.709 1.851 1.00 65.32 N ATOM 236 CA GLN A 18 11.482 -1.238 0.788 1.00 2.33 C ATOM 237 C GLN A 18 11.588 -2.044 -0.547 1.00 3.02 C ATOM 238 O GLN A 18 12.681 -2.262 -1.078 1.00 72.25 O ATOM 239 CB GLN A 18 11.729 0.268 0.524 1.00 71.44 C ATOM 240 CG GLN A 18 10.762 0.919 -0.490 1.00 33.25 C ATOM 241 CD GLN A 18 11.034 2.408 -0.713 1.00 32.11 C ATOM 242 OE1 GLN A 18 12.164 2.876 -0.619 1.00 12.45 O ATOM 243 NE2 GLN A 18 10.005 3.166 -1.002 1.00 42.44 N ATOM 0 H GLN A 18 13.079 -1.001 2.155 1.00 65.32 H new ATOM 0 HA GLN A 18 10.470 -1.405 1.157 1.00 2.33 H new ATOM 0 HB2 GLN A 18 11.655 0.804 1.470 1.00 71.44 H new ATOM 0 HB3 GLN A 18 12.750 0.396 0.164 1.00 71.44 H new ATOM 0 HG2 GLN A 18 10.839 0.396 -1.443 1.00 33.25 H new ATOM 0 HG3 GLN A 18 9.738 0.792 -0.139 1.00 33.25 H new ATOM 0 HE21 GLN A 18 9.074 2.756 -1.075 1.00 42.44 H new ATOM 0 HE22 GLN A 18 10.135 4.166 -1.154 1.00 42.44 H new ATOM 252 N VAL A 19 10.417 -2.466 -1.068 1.00 55.11 N ATOM 253 CA VAL A 19 10.279 -3.109 -2.393 1.00 12.52 C ATOM 254 C VAL A 19 9.843 -2.033 -3.417 1.00 34.00 C ATOM 255 O VAL A 19 8.726 -1.510 -3.336 1.00 61.23 O ATOM 256 CB VAL A 19 9.216 -4.282 -2.370 1.00 2.25 C ATOM 257 CG1 VAL A 19 9.079 -4.966 -3.755 1.00 70.11 C ATOM 258 CG2 VAL A 19 9.553 -5.320 -1.279 1.00 64.31 C ATOM 0 H VAL A 19 9.529 -2.369 -0.575 1.00 55.11 H new ATOM 0 HA VAL A 19 11.239 -3.543 -2.671 1.00 12.52 H new ATOM 0 HB VAL A 19 8.252 -3.834 -2.129 1.00 2.25 H new ATOM 0 HG11 VAL A 19 8.340 -5.765 -3.695 1.00 70.11 H new ATOM 0 HG12 VAL A 19 8.760 -4.231 -4.494 1.00 70.11 H new ATOM 0 HG13 VAL A 19 10.041 -5.384 -4.051 1.00 70.11 H new ATOM 0 HG21 VAL A 19 8.805 -6.113 -1.288 1.00 64.31 H new ATOM 0 HG22 VAL A 19 10.537 -5.747 -1.474 1.00 64.31 H new ATOM 0 HG23 VAL A 19 9.555 -4.834 -0.303 1.00 64.31 H new ATOM 268 N GLY A 20 10.738 -1.689 -4.354 1.00 31.24 N ATOM 269 CA GLY A 20 10.456 -0.650 -5.353 1.00 2.51 C ATOM 270 C GLY A 20 10.564 0.773 -4.794 1.00 13.21 C ATOM 271 O GLY A 20 11.658 1.211 -4.414 1.00 21.15 O ATOM 0 H GLY A 20 11.661 -2.114 -4.440 1.00 31.24 H new ATOM 0 HA2 GLY A 20 11.150 -0.759 -6.187 1.00 2.51 H new ATOM 0 HA3 GLY A 20 9.453 -0.801 -5.751 1.00 2.51 H new ATOM 275 N ASP A 21 9.424 1.488 -4.724 1.00 25.35 N ATOM 276 CA ASP A 21 9.382 2.895 -4.266 1.00 64.52 C ATOM 277 C ASP A 21 8.030 3.253 -3.592 1.00 61.20 C ATOM 278 O ASP A 21 7.078 2.463 -3.599 1.00 33.23 O ATOM 279 CB ASP A 21 9.669 3.848 -5.458 1.00 42.02 C ATOM 280 CG ASP A 21 8.611 3.764 -6.576 1.00 54.10 C ATOM 281 OD1 ASP A 21 8.643 2.799 -7.374 1.00 21.31 O ATOM 282 OD2 ASP A 21 7.734 4.651 -6.655 1.00 4.32 O ATOM 0 H ASP A 21 8.511 1.112 -4.981 1.00 25.35 H new ATOM 0 HA ASP A 21 10.156 3.020 -3.509 1.00 64.52 H new ATOM 0 HB2 ASP A 21 9.718 4.873 -5.091 1.00 42.02 H new ATOM 0 HB3 ASP A 21 10.648 3.612 -5.875 1.00 42.02 H new ATOM 287 N ILE A 22 7.980 4.464 -2.996 1.00 4.44 N ATOM 288 CA ILE A 22 6.760 5.024 -2.374 1.00 71.15 C ATOM 289 C ILE A 22 5.839 5.649 -3.453 1.00 55.24 C ATOM 290 O ILE A 22 6.303 6.423 -4.297 1.00 43.11 O ATOM 291 CB ILE A 22 7.119 6.129 -1.298 1.00 75.22 C ATOM 292 CG1 ILE A 22 8.005 5.529 -0.161 1.00 3.42 C ATOM 293 CG2 ILE A 22 5.846 6.790 -0.712 1.00 63.42 C ATOM 294 CD1 ILE A 22 8.413 6.505 0.935 1.00 65.21 C ATOM 0 H ILE A 22 8.788 5.083 -2.932 1.00 4.44 H new ATOM 0 HA ILE A 22 6.241 4.204 -1.878 1.00 71.15 H new ATOM 0 HB ILE A 22 7.690 6.907 -1.805 1.00 75.22 H new ATOM 0 HG12 ILE A 22 7.466 4.700 0.297 1.00 3.42 H new ATOM 0 HG13 ILE A 22 8.908 5.114 -0.608 1.00 3.42 H new ATOM 0 HG21 ILE A 22 6.132 7.543 0.023 1.00 63.42 H new ATOM 0 HG22 ILE A 22 5.279 7.263 -1.514 1.00 63.42 H new ATOM 0 HG23 ILE A 22 5.230 6.030 -0.232 1.00 63.42 H new ATOM 0 HD11 ILE A 22 9.025 5.988 1.674 1.00 65.21 H new ATOM 0 HD12 ILE A 22 8.985 7.324 0.499 1.00 65.21 H new ATOM 0 HD13 ILE A 22 7.521 6.903 1.418 1.00 65.21 H new ATOM 306 N VAL A 23 4.534 5.326 -3.405 1.00 10.42 N ATOM 307 CA VAL A 23 3.526 5.945 -4.287 1.00 62.33 C ATOM 308 C VAL A 23 2.894 7.155 -3.552 1.00 43.30 C ATOM 309 O VAL A 23 2.040 6.982 -2.671 1.00 64.13 O ATOM 310 CB VAL A 23 2.403 4.915 -4.699 1.00 62.44 C ATOM 311 CG1 VAL A 23 1.457 5.505 -5.774 1.00 31.45 C ATOM 312 CG2 VAL A 23 3.003 3.560 -5.152 1.00 32.41 C ATOM 0 H VAL A 23 4.150 4.635 -2.760 1.00 10.42 H new ATOM 0 HA VAL A 23 4.018 6.274 -5.202 1.00 62.33 H new ATOM 0 HB VAL A 23 1.805 4.720 -3.809 1.00 62.44 H new ATOM 0 HG11 VAL A 23 0.697 4.768 -6.033 1.00 31.45 H new ATOM 0 HG12 VAL A 23 0.975 6.401 -5.383 1.00 31.45 H new ATOM 0 HG13 VAL A 23 2.032 5.761 -6.664 1.00 31.45 H new ATOM 0 HG21 VAL A 23 2.197 2.879 -5.427 1.00 32.41 H new ATOM 0 HG22 VAL A 23 3.653 3.719 -6.012 1.00 32.41 H new ATOM 0 HG23 VAL A 23 3.581 3.127 -4.336 1.00 32.41 H new ATOM 322 N THR A 24 3.345 8.372 -3.895 1.00 63.24 N ATOM 323 CA THR A 24 2.847 9.617 -3.271 1.00 5.35 C ATOM 324 C THR A 24 1.592 10.114 -4.014 1.00 23.34 C ATOM 325 O THR A 24 1.687 10.609 -5.147 1.00 3.22 O ATOM 326 CB THR A 24 3.927 10.759 -3.280 1.00 65.40 C ATOM 327 OG1 THR A 24 5.177 10.268 -2.753 1.00 51.21 O ATOM 328 CG2 THR A 24 3.480 11.995 -2.462 1.00 5.40 C ATOM 0 H THR A 24 4.060 8.525 -4.607 1.00 63.24 H new ATOM 0 HA THR A 24 2.608 9.381 -2.234 1.00 5.35 H new ATOM 0 HB THR A 24 4.053 11.069 -4.317 1.00 65.40 H new ATOM 0 HG1 THR A 24 5.842 10.987 -2.765 1.00 51.21 H new ATOM 0 HG21 THR A 24 4.259 12.756 -2.498 1.00 5.40 H new ATOM 0 HG22 THR A 24 2.559 12.397 -2.885 1.00 5.40 H new ATOM 0 HG23 THR A 24 3.306 11.703 -1.426 1.00 5.40 H new ATOM 336 N VAL A 25 0.416 9.948 -3.394 1.00 61.43 N ATOM 337 CA VAL A 25 -0.853 10.497 -3.923 1.00 62.02 C ATOM 338 C VAL A 25 -1.420 11.552 -2.941 1.00 41.53 C ATOM 339 O VAL A 25 -1.355 11.381 -1.720 1.00 4.43 O ATOM 340 CB VAL A 25 -1.913 9.359 -4.228 1.00 15.04 C ATOM 341 CG1 VAL A 25 -1.421 8.440 -5.376 1.00 23.35 C ATOM 342 CG2 VAL A 25 -2.250 8.519 -2.970 1.00 11.31 C ATOM 0 H VAL A 25 0.311 9.435 -2.519 1.00 61.43 H new ATOM 0 HA VAL A 25 -0.641 10.983 -4.875 1.00 62.02 H new ATOM 0 HB VAL A 25 -2.830 9.856 -4.543 1.00 15.04 H new ATOM 0 HG11 VAL A 25 -2.165 7.667 -5.567 1.00 23.35 H new ATOM 0 HG12 VAL A 25 -1.273 9.033 -6.279 1.00 23.35 H new ATOM 0 HG13 VAL A 25 -0.478 7.974 -5.090 1.00 23.35 H new ATOM 0 HG21 VAL A 25 -2.980 7.752 -3.229 1.00 11.31 H new ATOM 0 HG22 VAL A 25 -1.343 8.044 -2.596 1.00 11.31 H new ATOM 0 HG23 VAL A 25 -2.664 9.169 -2.199 1.00 11.31 H new ATOM 352 N THR A 26 -1.950 12.663 -3.488 1.00 44.30 N ATOM 353 CA THR A 26 -2.473 13.800 -2.685 1.00 14.14 C ATOM 354 C THR A 26 -3.884 14.198 -3.154 1.00 65.45 C ATOM 355 O THR A 26 -4.271 13.934 -4.300 1.00 12.00 O ATOM 356 CB THR A 26 -1.539 15.066 -2.746 1.00 73.14 C ATOM 357 OG1 THR A 26 -1.441 15.563 -4.096 1.00 73.03 O ATOM 358 CG2 THR A 26 -0.121 14.768 -2.221 1.00 22.50 C ATOM 0 H THR A 26 -2.030 12.803 -4.495 1.00 44.30 H new ATOM 0 HA THR A 26 -2.506 13.452 -1.653 1.00 14.14 H new ATOM 0 HB THR A 26 -1.995 15.819 -2.103 1.00 73.14 H new ATOM 0 HG1 THR A 26 -0.858 16.351 -4.113 1.00 73.03 H new ATOM 0 HG21 THR A 26 0.487 15.671 -2.283 1.00 22.50 H new ATOM 0 HG22 THR A 26 -0.179 14.440 -1.183 1.00 22.50 H new ATOM 0 HG23 THR A 26 0.333 13.983 -2.825 1.00 22.50 H new ATOM 366 N GLY A 27 -4.639 14.831 -2.250 1.00 51.21 N ATOM 367 CA GLY A 27 -6.008 15.280 -2.529 1.00 73.40 C ATOM 368 C GLY A 27 -6.654 15.924 -1.306 1.00 34.30 C ATOM 369 O GLY A 27 -5.989 16.669 -0.576 1.00 31.40 O ATOM 0 H GLY A 27 -4.319 15.046 -1.306 1.00 51.21 H new ATOM 0 HA2 GLY A 27 -5.995 15.995 -3.352 1.00 73.40 H new ATOM 0 HA3 GLY A 27 -6.610 14.431 -2.853 1.00 73.40 H new ATOM 373 N LYS A 28 -7.950 15.650 -1.076 1.00 35.12 N ATOM 374 CA LYS A 28 -8.683 16.181 0.100 1.00 31.10 C ATOM 375 C LYS A 28 -9.310 15.018 0.908 1.00 0.22 C ATOM 376 O LYS A 28 -9.527 13.937 0.360 1.00 31.42 O ATOM 377 CB LYS A 28 -9.788 17.188 -0.359 1.00 64.34 C ATOM 378 CG LYS A 28 -10.162 18.274 0.684 1.00 63.24 C ATOM 379 CD LYS A 28 -9.141 19.440 0.727 1.00 61.44 C ATOM 380 CE LYS A 28 -9.312 20.358 1.948 1.00 51.23 C ATOM 381 NZ LYS A 28 -8.965 19.666 3.216 1.00 43.31 N ATOM 0 H LYS A 28 -8.518 15.063 -1.687 1.00 35.12 H new ATOM 0 HA LYS A 28 -7.980 16.710 0.743 1.00 31.10 H new ATOM 0 HB2 LYS A 28 -9.452 17.682 -1.270 1.00 64.34 H new ATOM 0 HB3 LYS A 28 -10.687 16.626 -0.614 1.00 64.34 H new ATOM 0 HG2 LYS A 28 -11.150 18.670 0.451 1.00 63.24 H new ATOM 0 HG3 LYS A 28 -10.227 17.817 1.671 1.00 63.24 H new ATOM 0 HD2 LYS A 28 -8.131 19.029 0.730 1.00 61.44 H new ATOM 0 HD3 LYS A 28 -9.241 20.034 -0.181 1.00 61.44 H new ATOM 0 HE2 LYS A 28 -8.681 21.239 1.831 1.00 51.23 H new ATOM 0 HE3 LYS A 28 -10.343 20.709 1.997 1.00 51.23 H new ATOM 0 HZ1 LYS A 28 -8.962 20.353 3.997 1.00 43.31 H new ATOM 0 HZ2 LYS A 28 -9.667 18.924 3.410 1.00 43.31 H new ATOM 0 HZ3 LYS A 28 -8.022 19.236 3.130 1.00 43.31 H new ATOM 395 N THR A 29 -9.563 15.241 2.219 1.00 32.10 N ATOM 396 CA THR A 29 -10.330 14.291 3.084 1.00 44.31 C ATOM 397 C THR A 29 -11.724 13.922 2.485 1.00 44.32 C ATOM 398 O THR A 29 -12.229 12.806 2.689 1.00 42.54 O ATOM 399 CB THR A 29 -10.497 14.865 4.540 1.00 70.13 C ATOM 400 OG1 THR A 29 -9.204 15.120 5.110 1.00 1.04 O ATOM 401 CG2 THR A 29 -11.262 13.918 5.486 1.00 31.35 C ATOM 0 H THR A 29 -9.247 16.076 2.712 1.00 32.10 H new ATOM 0 HA THR A 29 -9.745 13.372 3.128 1.00 44.31 H new ATOM 0 HB THR A 29 -11.080 15.781 4.442 1.00 70.13 H new ATOM 0 HG1 THR A 29 -8.795 15.890 4.662 1.00 1.04 H new ATOM 0 HG21 THR A 29 -11.341 14.375 6.472 1.00 31.35 H new ATOM 0 HG22 THR A 29 -12.261 13.736 5.089 1.00 31.35 H new ATOM 0 HG23 THR A 29 -10.726 12.973 5.566 1.00 31.35 H new ATOM 409 N ASP A 30 -12.323 14.868 1.733 1.00 1.25 N ATOM 410 CA ASP A 30 -13.590 14.643 0.992 1.00 64.33 C ATOM 411 C ASP A 30 -13.447 13.545 -0.103 1.00 32.20 C ATOM 412 O ASP A 30 -14.414 12.843 -0.423 1.00 31.54 O ATOM 413 CB ASP A 30 -14.059 15.970 0.345 1.00 53.12 C ATOM 414 CG ASP A 30 -14.275 17.090 1.377 1.00 63.12 C ATOM 415 OD1 ASP A 30 -15.365 17.158 1.981 1.00 2.32 O ATOM 416 OD2 ASP A 30 -13.352 17.895 1.600 1.00 12.20 O ATOM 0 H ASP A 30 -11.946 15.809 1.620 1.00 1.25 H new ATOM 0 HA ASP A 30 -14.332 14.293 1.710 1.00 64.33 H new ATOM 0 HB2 ASP A 30 -13.319 16.294 -0.387 1.00 53.12 H new ATOM 0 HB3 ASP A 30 -14.989 15.797 -0.197 1.00 53.12 H new ATOM 421 N ASP A 31 -12.238 13.420 -0.668 1.00 44.12 N ATOM 422 CA ASP A 31 -11.927 12.448 -1.734 1.00 0.11 C ATOM 423 C ASP A 31 -11.387 11.117 -1.161 1.00 42.30 C ATOM 424 O ASP A 31 -10.541 11.107 -0.254 1.00 3.53 O ATOM 425 CB ASP A 31 -10.882 13.057 -2.690 1.00 73.44 C ATOM 426 CG ASP A 31 -11.376 14.339 -3.362 1.00 24.34 C ATOM 427 OD1 ASP A 31 -12.157 14.251 -4.332 1.00 73.31 O ATOM 428 OD2 ASP A 31 -10.988 15.439 -2.925 1.00 14.01 O ATOM 0 H ASP A 31 -11.439 13.994 -0.398 1.00 44.12 H new ATOM 0 HA ASP A 31 -12.851 12.230 -2.269 1.00 0.11 H new ATOM 0 HB2 ASP A 31 -9.968 13.271 -2.135 1.00 73.44 H new ATOM 0 HB3 ASP A 31 -10.626 12.325 -3.456 1.00 73.44 H new ATOM 433 N SER A 32 -11.896 9.998 -1.700 1.00 63.33 N ATOM 434 CA SER A 32 -11.344 8.647 -1.453 1.00 61.20 C ATOM 435 C SER A 32 -10.890 8.013 -2.788 1.00 43.22 C ATOM 436 O SER A 32 -11.580 8.122 -3.808 1.00 65.32 O ATOM 437 CB SER A 32 -12.403 7.744 -0.768 1.00 61.04 C ATOM 438 OG SER A 32 -13.574 7.604 -1.563 1.00 0.21 O ATOM 0 H SER A 32 -12.704 10.000 -2.322 1.00 63.33 H new ATOM 0 HA SER A 32 -10.484 8.737 -0.789 1.00 61.20 H new ATOM 0 HB2 SER A 32 -11.973 6.760 -0.578 1.00 61.04 H new ATOM 0 HB3 SER A 32 -12.670 8.168 0.200 1.00 61.04 H new ATOM 0 HG SER A 32 -14.217 7.027 -1.100 1.00 0.21 H new ATOM 444 N THR A 33 -9.725 7.352 -2.766 1.00 71.22 N ATOM 445 CA THR A 33 -9.133 6.679 -3.954 1.00 22.10 C ATOM 446 C THR A 33 -9.188 5.140 -3.823 1.00 31.03 C ATOM 447 O THR A 33 -9.220 4.602 -2.721 1.00 11.40 O ATOM 448 CB THR A 33 -7.644 7.127 -4.179 1.00 63.52 C ATOM 449 OG1 THR A 33 -6.887 6.983 -2.962 1.00 14.14 O ATOM 450 CG2 THR A 33 -7.549 8.578 -4.688 1.00 2.11 C ATOM 0 H THR A 33 -9.156 7.263 -1.924 1.00 71.22 H new ATOM 0 HA THR A 33 -9.731 6.979 -4.814 1.00 22.10 H new ATOM 0 HB THR A 33 -7.223 6.477 -4.946 1.00 63.52 H new ATOM 0 HG1 THR A 33 -5.961 7.264 -3.117 1.00 14.14 H new ATOM 0 HG21 THR A 33 -6.502 8.846 -4.830 1.00 2.11 H new ATOM 0 HG22 THR A 33 -8.078 8.666 -5.637 1.00 2.11 H new ATOM 0 HG23 THR A 33 -8.000 9.250 -3.958 1.00 2.11 H new ATOM 458 N THR A 34 -9.228 4.445 -4.973 1.00 32.44 N ATOM 459 CA THR A 34 -9.145 2.962 -5.045 1.00 52.34 C ATOM 460 C THR A 34 -7.821 2.546 -5.737 1.00 0.44 C ATOM 461 O THR A 34 -7.604 2.847 -6.921 1.00 42.43 O ATOM 462 CB THR A 34 -10.374 2.358 -5.824 1.00 41.53 C ATOM 463 OG1 THR A 34 -10.458 2.931 -7.144 1.00 22.34 O ATOM 464 CG2 THR A 34 -11.706 2.600 -5.084 1.00 31.31 C ATOM 0 H THR A 34 -9.319 4.891 -5.886 1.00 32.44 H new ATOM 0 HA THR A 34 -9.165 2.568 -4.029 1.00 52.34 H new ATOM 0 HB THR A 34 -10.212 1.282 -5.891 1.00 41.53 H new ATOM 0 HG1 THR A 34 -9.563 2.969 -7.542 1.00 22.34 H new ATOM 0 HG21 THR A 34 -12.525 2.167 -5.658 1.00 31.31 H new ATOM 0 HG22 THR A 34 -11.666 2.133 -4.100 1.00 31.31 H new ATOM 0 HG23 THR A 34 -11.870 3.672 -4.971 1.00 31.31 H new ATOM 472 N TYR A 35 -6.933 1.859 -4.995 1.00 65.14 N ATOM 473 CA TYR A 35 -5.584 1.469 -5.480 1.00 43.05 C ATOM 474 C TYR A 35 -5.446 -0.067 -5.565 1.00 11.15 C ATOM 475 O TYR A 35 -5.666 -0.766 -4.575 1.00 23.41 O ATOM 476 CB TYR A 35 -4.492 2.046 -4.539 1.00 61.03 C ATOM 477 CG TYR A 35 -3.046 1.722 -4.973 1.00 31.43 C ATOM 478 CD1 TYR A 35 -2.484 2.333 -6.099 1.00 73.52 C ATOM 479 CD2 TYR A 35 -2.249 0.811 -4.266 1.00 31.32 C ATOM 480 CE1 TYR A 35 -1.195 2.045 -6.507 1.00 52.21 C ATOM 481 CE2 TYR A 35 -0.961 0.522 -4.675 1.00 4.14 C ATOM 482 CZ TYR A 35 -0.434 1.145 -5.791 1.00 2.22 C ATOM 483 OH TYR A 35 0.854 0.856 -6.202 1.00 24.11 O ATOM 0 H TYR A 35 -7.125 1.555 -4.040 1.00 65.14 H new ATOM 0 HA TYR A 35 -5.452 1.880 -6.481 1.00 43.05 H new ATOM 0 HB2 TYR A 35 -4.609 3.128 -4.486 1.00 61.03 H new ATOM 0 HB3 TYR A 35 -4.653 1.658 -3.533 1.00 61.03 H new ATOM 0 HD1 TYR A 35 -3.070 3.045 -6.662 1.00 73.52 H new ATOM 0 HD2 TYR A 35 -2.648 0.327 -3.387 1.00 31.32 H new ATOM 0 HE1 TYR A 35 -0.785 2.524 -7.384 1.00 52.21 H new ATOM 0 HE2 TYR A 35 -0.366 -0.191 -4.123 1.00 4.14 H new ATOM 0 HH TYR A 35 1.150 1.530 -6.850 1.00 24.11 H new ATOM 493 N THR A 36 -5.063 -0.580 -6.748 1.00 34.30 N ATOM 494 CA THR A 36 -4.764 -2.014 -6.940 1.00 0.43 C ATOM 495 C THR A 36 -3.301 -2.312 -6.524 1.00 10.43 C ATOM 496 O THR A 36 -2.371 -1.635 -6.975 1.00 53.34 O ATOM 497 CB THR A 36 -4.998 -2.458 -8.428 1.00 72.13 C ATOM 498 OG1 THR A 36 -6.331 -2.103 -8.843 1.00 34.34 O ATOM 499 CG2 THR A 36 -4.798 -3.976 -8.629 1.00 2.35 C ATOM 0 H THR A 36 -4.952 -0.019 -7.593 1.00 34.30 H new ATOM 0 HA THR A 36 -5.445 -2.584 -6.308 1.00 0.43 H new ATOM 0 HB THR A 36 -4.257 -1.938 -9.035 1.00 72.13 H new ATOM 0 HG1 THR A 36 -6.469 -2.381 -9.772 1.00 34.34 H new ATOM 0 HG21 THR A 36 -4.972 -4.231 -9.675 1.00 2.35 H new ATOM 0 HG22 THR A 36 -3.779 -4.248 -8.354 1.00 2.35 H new ATOM 0 HG23 THR A 36 -5.502 -4.522 -8.001 1.00 2.35 H new ATOM 507 N VAL A 37 -3.128 -3.331 -5.666 1.00 5.55 N ATOM 508 CA VAL A 37 -1.812 -3.788 -5.177 1.00 32.02 C ATOM 509 C VAL A 37 -1.071 -4.572 -6.291 1.00 43.34 C ATOM 510 O VAL A 37 -1.641 -5.475 -6.918 1.00 73.31 O ATOM 511 CB VAL A 37 -1.978 -4.699 -3.895 1.00 53.12 C ATOM 512 CG1 VAL A 37 -0.615 -5.188 -3.345 1.00 15.32 C ATOM 513 CG2 VAL A 37 -2.794 -3.971 -2.796 1.00 43.30 C ATOM 0 H VAL A 37 -3.907 -3.869 -5.286 1.00 5.55 H new ATOM 0 HA VAL A 37 -1.223 -2.912 -4.906 1.00 32.02 H new ATOM 0 HB VAL A 37 -2.534 -5.585 -4.202 1.00 53.12 H new ATOM 0 HG11 VAL A 37 -0.780 -5.810 -2.465 1.00 15.32 H new ATOM 0 HG12 VAL A 37 -0.102 -5.771 -4.110 1.00 15.32 H new ATOM 0 HG13 VAL A 37 -0.003 -4.328 -3.072 1.00 15.32 H new ATOM 0 HG21 VAL A 37 -2.893 -4.620 -1.926 1.00 43.30 H new ATOM 0 HG22 VAL A 37 -2.280 -3.054 -2.508 1.00 43.30 H new ATOM 0 HG23 VAL A 37 -3.784 -3.726 -3.180 1.00 43.30 H new ATOM 523 N THR A 38 0.202 -4.217 -6.512 1.00 62.42 N ATOM 524 CA THR A 38 1.039 -4.771 -7.592 1.00 54.30 C ATOM 525 C THR A 38 2.066 -5.757 -6.999 1.00 74.05 C ATOM 526 O THR A 38 2.939 -5.363 -6.220 1.00 15.14 O ATOM 527 CB THR A 38 1.777 -3.624 -8.377 1.00 1.13 C ATOM 528 OG1 THR A 38 2.600 -2.842 -7.486 1.00 23.34 O ATOM 529 CG2 THR A 38 0.775 -2.694 -9.087 1.00 53.50 C ATOM 0 H THR A 38 0.689 -3.528 -5.939 1.00 62.42 H new ATOM 0 HA THR A 38 0.395 -5.300 -8.294 1.00 54.30 H new ATOM 0 HB THR A 38 2.406 -4.102 -9.128 1.00 1.13 H new ATOM 0 HG1 THR A 38 2.044 -2.469 -6.770 1.00 23.34 H new ATOM 0 HG21 THR A 38 1.318 -1.913 -9.620 1.00 53.50 H new ATOM 0 HG22 THR A 38 0.182 -3.272 -9.796 1.00 53.50 H new ATOM 0 HG23 THR A 38 0.115 -2.238 -8.349 1.00 53.50 H new ATOM 537 N ILE A 39 1.932 -7.046 -7.350 1.00 31.33 N ATOM 538 CA ILE A 39 2.794 -8.130 -6.824 1.00 3.14 C ATOM 539 C ILE A 39 3.999 -8.393 -7.774 1.00 20.33 C ATOM 540 O ILE A 39 3.809 -8.916 -8.881 1.00 12.24 O ATOM 541 CB ILE A 39 1.953 -9.446 -6.603 1.00 44.25 C ATOM 542 CG1 ILE A 39 0.760 -9.172 -5.627 1.00 62.24 C ATOM 543 CG2 ILE A 39 2.833 -10.619 -6.097 1.00 63.54 C ATOM 544 CD1 ILE A 39 1.160 -8.643 -4.252 1.00 44.31 C ATOM 0 H ILE A 39 1.223 -7.372 -8.007 1.00 31.33 H new ATOM 0 HA ILE A 39 3.192 -7.813 -5.860 1.00 3.14 H new ATOM 0 HB ILE A 39 1.549 -9.748 -7.569 1.00 44.25 H new ATOM 0 HG12 ILE A 39 0.086 -8.454 -6.094 1.00 62.24 H new ATOM 0 HG13 ILE A 39 0.199 -10.097 -5.495 1.00 62.24 H new ATOM 0 HG21 ILE A 39 2.214 -11.505 -5.958 1.00 63.54 H new ATOM 0 HG22 ILE A 39 3.612 -10.832 -6.829 1.00 63.54 H new ATOM 0 HG23 ILE A 39 3.293 -10.346 -5.147 1.00 63.54 H new ATOM 0 HD11 ILE A 39 0.266 -8.484 -3.649 1.00 44.31 H new ATOM 0 HD12 ILE A 39 1.807 -9.367 -3.758 1.00 44.31 H new ATOM 0 HD13 ILE A 39 1.693 -7.699 -4.366 1.00 44.31 H new ATOM 556 N PRO A 40 5.255 -7.996 -7.375 1.00 23.40 N ATOM 557 CA PRO A 40 6.463 -8.178 -8.217 1.00 62.31 C ATOM 558 C PRO A 40 7.106 -9.595 -8.100 1.00 52.22 C ATOM 559 O PRO A 40 6.750 -10.380 -7.215 1.00 54.31 O ATOM 560 CB PRO A 40 7.401 -7.055 -7.707 1.00 41.41 C ATOM 561 CG PRO A 40 7.013 -6.818 -6.268 1.00 71.52 C ATOM 562 CD PRO A 40 5.591 -7.331 -6.085 1.00 74.43 C ATOM 0 HA PRO A 40 6.240 -8.112 -9.282 1.00 62.31 H new ATOM 0 HB2 PRO A 40 8.447 -7.353 -7.786 1.00 41.41 H new ATOM 0 HB3 PRO A 40 7.282 -6.147 -8.299 1.00 41.41 H new ATOM 0 HG2 PRO A 40 7.697 -7.337 -5.596 1.00 71.52 H new ATOM 0 HG3 PRO A 40 7.072 -5.757 -6.025 1.00 71.52 H new ATOM 0 HD2 PRO A 40 5.527 -8.031 -5.252 1.00 74.43 H new ATOM 0 HD3 PRO A 40 4.901 -6.515 -5.870 1.00 74.43 H new ATOM 570 N ASP A 41 8.075 -9.879 -9.002 1.00 63.22 N ATOM 571 CA ASP A 41 8.708 -11.219 -9.165 1.00 51.32 C ATOM 572 C ASP A 41 9.452 -11.726 -7.899 1.00 22.51 C ATOM 573 O ASP A 41 10.526 -11.219 -7.551 1.00 73.43 O ATOM 574 CB ASP A 41 9.686 -11.187 -10.368 1.00 53.32 C ATOM 575 CG ASP A 41 8.963 -11.096 -11.716 1.00 42.20 C ATOM 576 OD1 ASP A 41 8.626 -12.159 -12.285 1.00 13.24 O ATOM 577 OD2 ASP A 41 8.721 -9.969 -12.208 1.00 15.23 O ATOM 0 H ASP A 41 8.446 -9.180 -9.646 1.00 63.22 H new ATOM 0 HA ASP A 41 7.895 -11.923 -9.341 1.00 51.32 H new ATOM 0 HB2 ASP A 41 10.358 -10.335 -10.262 1.00 53.32 H new ATOM 0 HB3 ASP A 41 10.305 -12.084 -10.352 1.00 53.32 H new ATOM 582 N GLY A 42 8.866 -12.754 -7.245 1.00 52.15 N ATOM 583 CA GLY A 42 9.463 -13.405 -6.066 1.00 54.33 C ATOM 584 C GLY A 42 8.980 -12.848 -4.720 1.00 33.31 C ATOM 585 O GLY A 42 9.551 -13.183 -3.677 1.00 61.35 O ATOM 0 H GLY A 42 7.969 -13.152 -7.522 1.00 52.15 H new ATOM 0 HA2 GLY A 42 9.241 -14.472 -6.104 1.00 54.33 H new ATOM 0 HA3 GLY A 42 10.547 -13.302 -6.120 1.00 54.33 H new ATOM 589 N TYR A 43 7.927 -11.999 -4.736 1.00 70.41 N ATOM 590 CA TYR A 43 7.368 -11.365 -3.508 1.00 73.51 C ATOM 591 C TYR A 43 5.876 -11.768 -3.315 1.00 64.22 C ATOM 592 O TYR A 43 5.121 -11.852 -4.284 1.00 61.03 O ATOM 593 CB TYR A 43 7.525 -9.820 -3.572 1.00 1.14 C ATOM 594 CG TYR A 43 8.955 -9.327 -3.900 1.00 73.55 C ATOM 595 CD1 TYR A 43 9.398 -9.218 -5.219 1.00 72.21 C ATOM 596 CD2 TYR A 43 9.854 -8.964 -2.895 1.00 24.31 C ATOM 597 CE1 TYR A 43 10.668 -8.782 -5.525 1.00 31.54 C ATOM 598 CE2 TYR A 43 11.132 -8.523 -3.198 1.00 35.11 C ATOM 599 CZ TYR A 43 11.529 -8.430 -4.517 1.00 5.31 C ATOM 600 OH TYR A 43 12.798 -7.989 -4.837 1.00 51.14 O ATOM 0 H TYR A 43 7.440 -11.732 -5.592 1.00 70.41 H new ATOM 0 HA TYR A 43 7.929 -11.726 -2.646 1.00 73.51 H new ATOM 0 HB2 TYR A 43 6.840 -9.430 -4.324 1.00 1.14 H new ATOM 0 HB3 TYR A 43 7.221 -9.398 -2.614 1.00 1.14 H new ATOM 0 HD1 TYR A 43 8.726 -9.483 -6.022 1.00 72.21 H new ATOM 0 HD2 TYR A 43 9.547 -9.028 -1.862 1.00 24.31 H new ATOM 0 HE1 TYR A 43 10.985 -8.717 -6.555 1.00 31.54 H new ATOM 0 HE2 TYR A 43 11.815 -8.253 -2.406 1.00 35.11 H new ATOM 0 HH TYR A 43 13.288 -7.777 -4.015 1.00 51.14 H new ATOM 610 N GLU A 44 5.471 -12.023 -2.047 1.00 43.34 N ATOM 611 CA GLU A 44 4.142 -12.604 -1.687 1.00 15.45 C ATOM 612 C GLU A 44 3.328 -11.617 -0.810 1.00 20.52 C ATOM 613 O GLU A 44 3.848 -11.134 0.197 1.00 31.43 O ATOM 614 CB GLU A 44 4.352 -13.933 -0.886 1.00 34.13 C ATOM 615 CG GLU A 44 5.366 -14.940 -1.487 1.00 21.01 C ATOM 616 CD GLU A 44 4.997 -15.442 -2.895 1.00 3.52 C ATOM 617 OE1 GLU A 44 4.032 -16.229 -3.023 1.00 41.44 O ATOM 618 OE2 GLU A 44 5.666 -15.060 -3.883 1.00 72.41 O ATOM 0 H GLU A 44 6.058 -11.832 -1.235 1.00 43.34 H new ATOM 0 HA GLU A 44 3.593 -12.798 -2.608 1.00 15.45 H new ATOM 0 HB2 GLU A 44 4.679 -13.678 0.122 1.00 34.13 H new ATOM 0 HB3 GLU A 44 3.388 -14.432 -0.792 1.00 34.13 H new ATOM 0 HG2 GLU A 44 6.348 -14.469 -1.527 1.00 21.01 H new ATOM 0 HG3 GLU A 44 5.450 -15.797 -0.818 1.00 21.01 H new ATOM 625 N TYR A 45 2.053 -11.340 -1.174 1.00 51.22 N ATOM 626 CA TYR A 45 1.165 -10.437 -0.385 1.00 1.34 C ATOM 627 C TYR A 45 0.874 -11.003 1.031 1.00 72.02 C ATOM 628 O TYR A 45 0.247 -12.057 1.174 1.00 25.25 O ATOM 629 CB TYR A 45 -0.166 -10.169 -1.146 1.00 60.14 C ATOM 630 CG TYR A 45 -1.135 -9.190 -0.439 1.00 72.13 C ATOM 631 CD1 TYR A 45 -0.793 -7.845 -0.241 1.00 72.40 C ATOM 632 CD2 TYR A 45 -2.378 -9.619 0.045 1.00 11.41 C ATOM 633 CE1 TYR A 45 -1.656 -6.975 0.403 1.00 71.34 C ATOM 634 CE2 TYR A 45 -3.239 -8.749 0.689 1.00 21.04 C ATOM 635 CZ TYR A 45 -2.875 -7.432 0.869 1.00 62.02 C ATOM 636 OH TYR A 45 -3.731 -6.564 1.514 1.00 41.44 O ATOM 0 H TYR A 45 1.612 -11.727 -2.008 1.00 51.22 H new ATOM 0 HA TYR A 45 1.695 -9.493 -0.260 1.00 1.34 H new ATOM 0 HB2 TYR A 45 0.070 -9.773 -2.134 1.00 60.14 H new ATOM 0 HB3 TYR A 45 -0.679 -11.119 -1.297 1.00 60.14 H new ATOM 0 HD1 TYR A 45 0.160 -7.481 -0.597 1.00 72.40 H new ATOM 0 HD2 TYR A 45 -2.670 -10.650 -0.088 1.00 11.41 H new ATOM 0 HE1 TYR A 45 -1.378 -5.941 0.541 1.00 71.34 H new ATOM 0 HE2 TYR A 45 -4.194 -9.101 1.050 1.00 21.04 H new ATOM 0 HH TYR A 45 -4.151 -7.022 2.272 1.00 41.44 H new ATOM 646 N VAL A 46 1.344 -10.283 2.064 1.00 53.00 N ATOM 647 CA VAL A 46 1.129 -10.650 3.483 1.00 3.34 C ATOM 648 C VAL A 46 -0.117 -9.921 4.038 1.00 22.32 C ATOM 649 O VAL A 46 -1.055 -10.553 4.543 1.00 62.24 O ATOM 650 CB VAL A 46 2.395 -10.299 4.359 1.00 32.30 C ATOM 651 CG1 VAL A 46 2.241 -10.751 5.835 1.00 45.11 C ATOM 652 CG2 VAL A 46 3.670 -10.891 3.729 1.00 31.11 C ATOM 0 H VAL A 46 1.886 -9.427 1.943 1.00 53.00 H new ATOM 0 HA VAL A 46 0.967 -11.727 3.534 1.00 3.34 H new ATOM 0 HB VAL A 46 2.484 -9.213 4.374 1.00 32.30 H new ATOM 0 HG11 VAL A 46 3.139 -10.485 6.392 1.00 45.11 H new ATOM 0 HG12 VAL A 46 1.378 -10.255 6.279 1.00 45.11 H new ATOM 0 HG13 VAL A 46 2.097 -11.831 5.872 1.00 45.11 H new ATOM 0 HG21 VAL A 46 4.532 -10.639 4.347 1.00 31.11 H new ATOM 0 HG22 VAL A 46 3.575 -11.975 3.665 1.00 31.11 H new ATOM 0 HG23 VAL A 46 3.807 -10.479 2.729 1.00 31.11 H new ATOM 662 N GLY A 47 -0.112 -8.578 3.915 1.00 13.05 N ATOM 663 CA GLY A 47 -1.199 -7.738 4.435 1.00 21.23 C ATOM 664 C GLY A 47 -1.001 -6.242 4.172 1.00 4.44 C ATOM 665 O GLY A 47 0.060 -5.816 3.701 1.00 70.35 O ATOM 0 H GLY A 47 0.636 -8.056 3.459 1.00 13.05 H new ATOM 0 HA2 GLY A 47 -2.139 -8.056 3.984 1.00 21.23 H new ATOM 0 HA3 GLY A 47 -1.290 -7.900 5.509 1.00 21.23 H new ATOM 669 N THR A 48 -2.035 -5.445 4.495 1.00 15.11 N ATOM 670 CA THR A 48 -2.034 -3.971 4.320 1.00 22.53 C ATOM 671 C THR A 48 -2.627 -3.286 5.570 1.00 34.32 C ATOM 672 O THR A 48 -3.610 -3.769 6.136 1.00 54.31 O ATOM 673 CB THR A 48 -2.853 -3.544 3.042 1.00 11.43 C ATOM 674 OG1 THR A 48 -2.234 -4.081 1.859 1.00 1.14 O ATOM 675 CG2 THR A 48 -2.982 -2.014 2.882 1.00 1.54 C ATOM 0 H THR A 48 -2.905 -5.803 4.889 1.00 15.11 H new ATOM 0 HA THR A 48 -1.000 -3.653 4.186 1.00 22.53 H new ATOM 0 HB THR A 48 -3.857 -3.947 3.176 1.00 11.43 H new ATOM 0 HG1 THR A 48 -2.620 -4.959 1.657 1.00 1.14 H new ATOM 0 HG21 THR A 48 -3.557 -1.789 1.983 1.00 1.54 H new ATOM 0 HG22 THR A 48 -3.491 -1.599 3.752 1.00 1.54 H new ATOM 0 HG23 THR A 48 -1.989 -1.572 2.798 1.00 1.54 H new ATOM 683 N ASP A 49 -2.023 -2.159 5.984 1.00 11.44 N ATOM 684 CA ASP A 49 -2.505 -1.341 7.125 1.00 61.34 C ATOM 685 C ASP A 49 -2.591 0.153 6.734 1.00 62.14 C ATOM 686 O ASP A 49 -1.883 0.609 5.831 1.00 34.44 O ATOM 687 CB ASP A 49 -1.628 -1.561 8.380 1.00 14.01 C ATOM 688 CG ASP A 49 -0.147 -1.254 8.159 1.00 12.42 C ATOM 689 OD1 ASP A 49 0.256 -0.085 8.335 1.00 54.03 O ATOM 690 OD2 ASP A 49 0.623 -2.184 7.831 1.00 62.44 O ATOM 0 H ASP A 49 -1.185 -1.784 5.540 1.00 11.44 H new ATOM 0 HA ASP A 49 -3.513 -1.670 7.378 1.00 61.34 H new ATOM 0 HB2 ASP A 49 -2.003 -0.933 9.188 1.00 14.01 H new ATOM 0 HB3 ASP A 49 -1.730 -2.596 8.706 1.00 14.01 H new ATOM 695 N GLY A 50 -3.478 0.894 7.417 1.00 75.33 N ATOM 696 CA GLY A 50 -3.889 2.239 6.980 1.00 65.14 C ATOM 697 C GLY A 50 -5.154 2.151 6.133 1.00 73.10 C ATOM 698 O GLY A 50 -6.094 1.464 6.555 1.00 62.44 O ATOM 0 H GLY A 50 -3.927 0.583 8.279 1.00 75.33 H new ATOM 0 HA2 GLY A 50 -4.067 2.873 7.848 1.00 65.14 H new ATOM 0 HA3 GLY A 50 -3.088 2.703 6.405 1.00 65.14 H new ATOM 702 N GLY A 51 -5.229 2.955 5.038 1.00 3.43 N ATOM 703 CA GLY A 51 -6.044 2.658 3.822 1.00 70.14 C ATOM 704 C GLY A 51 -6.906 1.379 3.867 1.00 1.30 C ATOM 705 O GLY A 51 -6.362 0.265 3.925 1.00 3.45 O ATOM 0 H GLY A 51 -4.721 3.837 4.972 1.00 3.43 H new ATOM 0 HA2 GLY A 51 -6.702 3.507 3.637 1.00 70.14 H new ATOM 0 HA3 GLY A 51 -5.370 2.585 2.969 1.00 70.14 H new ATOM 709 N VAL A 52 -8.237 1.549 3.803 1.00 61.45 N ATOM 710 CA VAL A 52 -9.212 0.466 4.082 1.00 61.53 C ATOM 711 C VAL A 52 -9.130 -0.638 2.995 1.00 1.03 C ATOM 712 O VAL A 52 -9.579 -0.445 1.865 1.00 75.40 O ATOM 713 CB VAL A 52 -10.684 1.037 4.176 1.00 2.42 C ATOM 714 CG1 VAL A 52 -11.709 -0.066 4.543 1.00 34.12 C ATOM 715 CG2 VAL A 52 -10.760 2.215 5.177 1.00 51.10 C ATOM 0 H VAL A 52 -8.673 2.438 3.557 1.00 61.45 H new ATOM 0 HA VAL A 52 -8.956 0.025 5.045 1.00 61.53 H new ATOM 0 HB VAL A 52 -10.948 1.411 3.187 1.00 2.42 H new ATOM 0 HG11 VAL A 52 -12.707 0.368 4.597 1.00 34.12 H new ATOM 0 HG12 VAL A 52 -11.693 -0.845 3.781 1.00 34.12 H new ATOM 0 HG13 VAL A 52 -11.448 -0.498 5.509 1.00 34.12 H new ATOM 0 HG21 VAL A 52 -11.783 2.589 5.222 1.00 51.10 H new ATOM 0 HG22 VAL A 52 -10.455 1.873 6.166 1.00 51.10 H new ATOM 0 HG23 VAL A 52 -10.096 3.015 4.849 1.00 51.10 H new ATOM 725 N VAL A 53 -8.541 -1.794 3.355 1.00 40.21 N ATOM 726 CA VAL A 53 -8.270 -2.888 2.397 1.00 45.31 C ATOM 727 C VAL A 53 -9.561 -3.698 2.082 1.00 4.14 C ATOM 728 O VAL A 53 -10.393 -3.944 2.971 1.00 62.02 O ATOM 729 CB VAL A 53 -7.112 -3.831 2.919 1.00 32.02 C ATOM 730 CG1 VAL A 53 -7.479 -4.535 4.246 1.00 52.11 C ATOM 731 CG2 VAL A 53 -6.673 -4.849 1.839 1.00 54.31 C ATOM 0 H VAL A 53 -8.241 -1.997 4.309 1.00 40.21 H new ATOM 0 HA VAL A 53 -7.932 -2.435 1.465 1.00 45.31 H new ATOM 0 HB VAL A 53 -6.258 -3.187 3.130 1.00 32.02 H new ATOM 0 HG11 VAL A 53 -6.652 -5.170 4.562 1.00 52.11 H new ATOM 0 HG12 VAL A 53 -7.675 -3.786 5.013 1.00 52.11 H new ATOM 0 HG13 VAL A 53 -8.370 -5.146 4.100 1.00 52.11 H new ATOM 0 HG21 VAL A 53 -5.876 -5.479 2.235 1.00 54.31 H new ATOM 0 HG22 VAL A 53 -7.523 -5.472 1.559 1.00 54.31 H new ATOM 0 HG23 VAL A 53 -6.310 -4.314 0.961 1.00 54.31 H new ATOM 741 N SER A 54 -9.732 -4.073 0.802 1.00 71.24 N ATOM 742 CA SER A 54 -10.904 -4.851 0.329 1.00 12.31 C ATOM 743 C SER A 54 -10.853 -6.317 0.817 1.00 55.42 C ATOM 744 O SER A 54 -9.800 -6.806 1.247 1.00 41.22 O ATOM 745 CB SER A 54 -10.970 -4.809 -1.214 1.00 42.34 C ATOM 746 OG SER A 54 -12.136 -5.446 -1.711 1.00 2.22 O ATOM 0 H SER A 54 -9.066 -3.849 0.063 1.00 71.24 H new ATOM 0 HA SER A 54 -11.801 -4.395 0.748 1.00 12.31 H new ATOM 0 HB2 SER A 54 -10.951 -3.772 -1.550 1.00 42.34 H new ATOM 0 HB3 SER A 54 -10.086 -5.294 -1.629 1.00 42.34 H new ATOM 0 HG SER A 54 -11.885 -6.100 -2.396 1.00 2.22 H new ATOM 752 N SER A 55 -12.001 -7.022 0.719 1.00 51.15 N ATOM 753 CA SER A 55 -12.132 -8.437 1.159 1.00 21.05 C ATOM 754 C SER A 55 -11.243 -9.401 0.331 1.00 3.21 C ATOM 755 O SER A 55 -10.838 -10.458 0.827 1.00 75.21 O ATOM 756 CB SER A 55 -13.611 -8.884 1.079 1.00 22.23 C ATOM 757 OG SER A 55 -14.452 -8.063 1.882 1.00 74.35 O ATOM 0 H SER A 55 -12.862 -6.633 0.335 1.00 51.15 H new ATOM 0 HA SER A 55 -11.787 -8.485 2.192 1.00 21.05 H new ATOM 0 HB2 SER A 55 -13.947 -8.846 0.043 1.00 22.23 H new ATOM 0 HB3 SER A 55 -13.696 -9.921 1.404 1.00 22.23 H new ATOM 0 HG SER A 55 -15.379 -8.372 1.807 1.00 74.35 H new ATOM 763 N ASP A 56 -10.960 -9.034 -0.933 1.00 21.24 N ATOM 764 CA ASP A 56 -10.055 -9.808 -1.821 1.00 13.52 C ATOM 765 C ASP A 56 -8.554 -9.482 -1.565 1.00 63.21 C ATOM 766 O ASP A 56 -7.674 -10.247 -1.981 1.00 32.01 O ATOM 767 CB ASP A 56 -10.427 -9.552 -3.304 1.00 75.23 C ATOM 768 CG ASP A 56 -10.414 -8.061 -3.691 1.00 74.43 C ATOM 769 OD1 ASP A 56 -9.331 -7.517 -3.994 1.00 13.21 O ATOM 770 OD2 ASP A 56 -11.486 -7.427 -3.701 1.00 14.31 O ATOM 0 H ASP A 56 -11.347 -8.198 -1.371 1.00 21.24 H new ATOM 0 HA ASP A 56 -10.190 -10.865 -1.592 1.00 13.52 H new ATOM 0 HB2 ASP A 56 -9.729 -10.092 -3.944 1.00 75.23 H new ATOM 0 HB3 ASP A 56 -11.419 -9.961 -3.498 1.00 75.23 H new ATOM 775 N GLY A 57 -8.276 -8.328 -0.910 1.00 23.53 N ATOM 776 CA GLY A 57 -6.897 -7.908 -0.571 1.00 44.32 C ATOM 777 C GLY A 57 -6.097 -7.276 -1.730 1.00 64.45 C ATOM 778 O GLY A 57 -5.121 -6.555 -1.493 1.00 74.55 O ATOM 0 H GLY A 57 -8.993 -7.670 -0.606 1.00 23.53 H new ATOM 0 HA2 GLY A 57 -6.944 -7.192 0.249 1.00 44.32 H new ATOM 0 HA3 GLY A 57 -6.350 -8.777 -0.205 1.00 44.32 H new ATOM 782 N LYS A 58 -6.521 -7.538 -2.982 1.00 44.32 N ATOM 783 CA LYS A 58 -5.815 -7.086 -4.208 1.00 13.30 C ATOM 784 C LYS A 58 -6.100 -5.602 -4.528 1.00 34.10 C ATOM 785 O LYS A 58 -5.420 -5.009 -5.359 1.00 73.33 O ATOM 786 CB LYS A 58 -6.247 -7.965 -5.408 1.00 15.45 C ATOM 787 CG LYS A 58 -6.001 -9.477 -5.220 1.00 74.02 C ATOM 788 CD LYS A 58 -6.616 -10.347 -6.349 1.00 32.13 C ATOM 789 CE LYS A 58 -8.161 -10.470 -6.279 1.00 74.21 C ATOM 790 NZ LYS A 58 -8.885 -9.185 -6.509 1.00 3.22 N ATOM 0 H LYS A 58 -7.368 -8.072 -3.178 1.00 44.32 H new ATOM 0 HA LYS A 58 -4.744 -7.187 -4.030 1.00 13.30 H new ATOM 0 HB2 LYS A 58 -7.309 -7.804 -5.596 1.00 15.45 H new ATOM 0 HB3 LYS A 58 -5.712 -7.631 -6.297 1.00 15.45 H new ATOM 0 HG2 LYS A 58 -4.927 -9.660 -5.175 1.00 74.02 H new ATOM 0 HG3 LYS A 58 -6.418 -9.789 -4.263 1.00 74.02 H new ATOM 0 HD2 LYS A 58 -6.339 -9.922 -7.314 1.00 32.13 H new ATOM 0 HD3 LYS A 58 -6.180 -11.345 -6.303 1.00 32.13 H new ATOM 0 HE2 LYS A 58 -8.491 -11.198 -7.020 1.00 74.21 H new ATOM 0 HE3 LYS A 58 -8.440 -10.862 -5.301 1.00 74.21 H new ATOM 0 HZ1 LYS A 58 -9.853 -9.385 -6.832 1.00 3.22 H new ATOM 0 HZ2 LYS A 58 -8.921 -8.643 -5.622 1.00 3.22 H new ATOM 0 HZ3 LYS A 58 -8.386 -8.630 -7.234 1.00 3.22 H new ATOM 804 N THR A 59 -7.159 -5.040 -3.915 1.00 12.32 N ATOM 805 CA THR A 59 -7.483 -3.592 -3.998 1.00 24.55 C ATOM 806 C THR A 59 -7.643 -2.986 -2.583 1.00 12.44 C ATOM 807 O THR A 59 -7.973 -3.691 -1.622 1.00 34.41 O ATOM 808 CB THR A 59 -8.776 -3.317 -4.848 1.00 72.24 C ATOM 809 OG1 THR A 59 -9.909 -4.006 -4.280 1.00 24.41 O ATOM 810 CG2 THR A 59 -8.597 -3.739 -6.323 1.00 14.11 C ATOM 0 H THR A 59 -7.818 -5.572 -3.347 1.00 12.32 H new ATOM 0 HA THR A 59 -6.647 -3.110 -4.505 1.00 24.55 H new ATOM 0 HB THR A 59 -8.954 -2.242 -4.824 1.00 72.24 H new ATOM 0 HG1 THR A 59 -10.707 -3.824 -4.819 1.00 24.41 H new ATOM 0 HG21 THR A 59 -9.514 -3.532 -6.875 1.00 14.11 H new ATOM 0 HG22 THR A 59 -7.773 -3.178 -6.765 1.00 14.11 H new ATOM 0 HG23 THR A 59 -8.377 -4.805 -6.372 1.00 14.11 H new ATOM 818 N VAL A 60 -7.371 -1.671 -2.465 1.00 14.50 N ATOM 819 CA VAL A 60 -7.372 -0.924 -1.178 1.00 4.30 C ATOM 820 C VAL A 60 -8.045 0.465 -1.370 1.00 52.32 C ATOM 821 O VAL A 60 -7.551 1.284 -2.154 1.00 41.30 O ATOM 822 CB VAL A 60 -5.892 -0.707 -0.638 1.00 22.43 C ATOM 823 CG1 VAL A 60 -5.871 0.107 0.674 1.00 33.41 C ATOM 824 CG2 VAL A 60 -5.130 -2.043 -0.451 1.00 34.13 C ATOM 0 H VAL A 60 -7.141 -1.085 -3.267 1.00 14.50 H new ATOM 0 HA VAL A 60 -7.930 -1.515 -0.452 1.00 4.30 H new ATOM 0 HB VAL A 60 -5.374 -0.133 -1.406 1.00 22.43 H new ATOM 0 HG11 VAL A 60 -4.841 0.232 1.008 1.00 33.41 H new ATOM 0 HG12 VAL A 60 -6.318 1.086 0.502 1.00 33.41 H new ATOM 0 HG13 VAL A 60 -6.439 -0.422 1.439 1.00 33.41 H new ATOM 0 HG21 VAL A 60 -4.125 -1.840 -0.081 1.00 34.13 H new ATOM 0 HG22 VAL A 60 -5.662 -2.668 0.267 1.00 34.13 H new ATOM 0 HG23 VAL A 60 -5.066 -2.562 -1.407 1.00 34.13 H new ATOM 834 N THR A 61 -9.164 0.734 -0.657 1.00 42.13 N ATOM 835 CA THR A 61 -9.807 2.073 -0.656 1.00 64.42 C ATOM 836 C THR A 61 -9.102 3.006 0.366 1.00 0.03 C ATOM 837 O THR A 61 -9.295 2.903 1.575 1.00 4.11 O ATOM 838 CB THR A 61 -11.351 2.007 -0.353 1.00 33.22 C ATOM 839 OG1 THR A 61 -11.604 1.406 0.929 1.00 22.32 O ATOM 840 CG2 THR A 61 -12.107 1.216 -1.432 1.00 1.34 C ATOM 0 H THR A 61 -9.641 0.044 -0.076 1.00 42.13 H new ATOM 0 HA THR A 61 -9.696 2.478 -1.662 1.00 64.42 H new ATOM 0 HB THR A 61 -11.712 3.036 -0.349 1.00 33.22 H new ATOM 0 HG1 THR A 61 -10.861 0.811 1.164 1.00 22.32 H new ATOM 0 HG21 THR A 61 -13.169 1.192 -1.189 1.00 1.34 H new ATOM 0 HG22 THR A 61 -11.967 1.697 -2.400 1.00 1.34 H new ATOM 0 HG23 THR A 61 -11.721 0.197 -1.474 1.00 1.34 H new ATOM 848 N ILE A 62 -8.279 3.909 -0.161 1.00 30.42 N ATOM 849 CA ILE A 62 -7.463 4.873 0.613 1.00 73.41 C ATOM 850 C ILE A 62 -8.228 6.213 0.773 1.00 74.24 C ATOM 851 O ILE A 62 -9.056 6.553 -0.075 1.00 65.42 O ATOM 852 CB ILE A 62 -6.106 5.086 -0.163 1.00 31.45 C ATOM 853 CG1 ILE A 62 -5.397 3.705 -0.353 1.00 11.33 C ATOM 854 CG2 ILE A 62 -5.177 6.112 0.528 1.00 71.13 C ATOM 855 CD1 ILE A 62 -4.153 3.730 -1.213 1.00 11.22 C ATOM 0 H ILE A 62 -8.149 4.002 -1.168 1.00 30.42 H new ATOM 0 HA ILE A 62 -7.261 4.491 1.614 1.00 73.41 H new ATOM 0 HB ILE A 62 -6.338 5.510 -1.140 1.00 31.45 H new ATOM 0 HG12 ILE A 62 -5.132 3.313 0.629 1.00 11.33 H new ATOM 0 HG13 ILE A 62 -6.109 3.007 -0.793 1.00 11.33 H new ATOM 0 HG21 ILE A 62 -4.259 6.218 -0.050 1.00 71.13 H new ATOM 0 HG22 ILE A 62 -5.681 7.076 0.589 1.00 71.13 H new ATOM 0 HG23 ILE A 62 -4.935 5.765 1.533 1.00 71.13 H new ATOM 0 HD11 ILE A 62 -3.738 2.724 -1.282 1.00 11.22 H new ATOM 0 HD12 ILE A 62 -4.408 4.086 -2.211 1.00 11.22 H new ATOM 0 HD13 ILE A 62 -3.416 4.397 -0.767 1.00 11.22 H new ATOM 867 N THR A 63 -7.990 6.956 1.872 1.00 40.34 N ATOM 868 CA THR A 63 -8.572 8.314 2.060 1.00 31.42 C ATOM 869 C THR A 63 -7.543 9.257 2.717 1.00 4.44 C ATOM 870 O THR A 63 -6.925 8.908 3.724 1.00 40.04 O ATOM 871 CB THR A 63 -9.893 8.300 2.911 1.00 61.20 C ATOM 872 OG1 THR A 63 -10.834 7.354 2.366 1.00 42.33 O ATOM 873 CG2 THR A 63 -10.562 9.691 2.953 1.00 44.34 C ATOM 0 H THR A 63 -7.401 6.646 2.645 1.00 40.34 H new ATOM 0 HA THR A 63 -8.829 8.680 1.066 1.00 31.42 H new ATOM 0 HB THR A 63 -9.614 8.012 3.925 1.00 61.20 H new ATOM 0 HG1 THR A 63 -11.651 7.356 2.908 1.00 42.33 H new ATOM 0 HG21 THR A 63 -11.472 9.639 3.551 1.00 44.34 H new ATOM 0 HG22 THR A 63 -9.876 10.411 3.398 1.00 44.34 H new ATOM 0 HG23 THR A 63 -10.811 10.006 1.940 1.00 44.34 H new ATOM 881 N PHE A 64 -7.413 10.465 2.149 1.00 2.24 N ATOM 882 CA PHE A 64 -6.386 11.454 2.537 1.00 71.51 C ATOM 883 C PHE A 64 -6.704 12.091 3.915 1.00 61.44 C ATOM 884 O PHE A 64 -7.855 12.444 4.195 1.00 71.14 O ATOM 885 CB PHE A 64 -6.298 12.540 1.431 1.00 71.25 C ATOM 886 CG PHE A 64 -6.140 11.959 0.026 1.00 61.04 C ATOM 887 CD1 PHE A 64 -4.905 11.500 -0.421 1.00 15.31 C ATOM 888 CD2 PHE A 64 -7.236 11.849 -0.839 1.00 63.54 C ATOM 889 CE1 PHE A 64 -4.769 10.950 -1.677 1.00 31.42 C ATOM 890 CE2 PHE A 64 -7.095 11.295 -2.094 1.00 54.34 C ATOM 891 CZ PHE A 64 -5.859 10.853 -2.514 1.00 21.33 C ATOM 0 H PHE A 64 -8.023 10.790 1.399 1.00 2.24 H new ATOM 0 HA PHE A 64 -5.424 10.951 2.636 1.00 71.51 H new ATOM 0 HB2 PHE A 64 -7.197 13.156 1.463 1.00 71.25 H new ATOM 0 HB3 PHE A 64 -5.454 13.197 1.642 1.00 71.25 H new ATOM 0 HD1 PHE A 64 -4.042 11.576 0.224 1.00 15.31 H new ATOM 0 HD2 PHE A 64 -8.205 12.203 -0.519 1.00 63.54 H new ATOM 0 HE1 PHE A 64 -3.804 10.594 -2.007 1.00 31.42 H new ATOM 0 HE2 PHE A 64 -7.951 11.208 -2.746 1.00 54.34 H new ATOM 0 HZ PHE A 64 -5.745 10.430 -3.501 1.00 21.33 H new ATOM 901 N ALA A 65 -5.674 12.238 4.767 1.00 75.44 N ATOM 902 CA ALA A 65 -5.834 12.779 6.140 1.00 22.21 C ATOM 903 C ALA A 65 -4.756 13.836 6.458 1.00 64.52 C ATOM 904 O ALA A 65 -3.573 13.620 6.195 1.00 14.43 O ATOM 905 CB ALA A 65 -5.783 11.636 7.172 1.00 11.41 C ATOM 0 H ALA A 65 -4.713 11.989 4.532 1.00 75.44 H new ATOM 0 HA ALA A 65 -6.807 13.267 6.197 1.00 22.21 H new ATOM 0 HB1 ALA A 65 -5.901 12.046 8.175 1.00 11.41 H new ATOM 0 HB2 ALA A 65 -6.588 10.929 6.972 1.00 11.41 H new ATOM 0 HB3 ALA A 65 -4.824 11.124 7.100 1.00 11.41 H new ATOM 911 N ALA A 66 -5.178 15.000 6.985 1.00 32.31 N ATOM 912 CA ALA A 66 -4.253 16.034 7.509 1.00 54.42 C ATOM 913 C ALA A 66 -3.733 15.659 8.920 1.00 51.35 C ATOM 914 O ALA A 66 -2.690 16.154 9.363 1.00 51.14 O ATOM 915 CB ALA A 66 -4.951 17.404 7.523 1.00 24.22 C ATOM 0 H ALA A 66 -6.163 15.254 7.062 1.00 32.31 H new ATOM 0 HA ALA A 66 -3.388 16.090 6.849 1.00 54.42 H new ATOM 0 HB1 ALA A 66 -4.265 18.158 7.909 1.00 24.22 H new ATOM 0 HB2 ALA A 66 -5.250 17.671 6.509 1.00 24.22 H new ATOM 0 HB3 ALA A 66 -5.834 17.356 8.161 1.00 24.22 H new ATOM 921 N ASP A 67 -4.483 14.781 9.613 1.00 42.43 N ATOM 922 CA ASP A 67 -4.113 14.247 10.940 1.00 62.21 C ATOM 923 C ASP A 67 -3.056 13.118 10.806 1.00 51.22 C ATOM 924 O ASP A 67 -1.925 13.237 11.290 1.00 65.12 O ATOM 925 CB ASP A 67 -5.385 13.712 11.647 1.00 62.14 C ATOM 926 CG ASP A 67 -6.480 14.779 11.783 1.00 75.55 C ATOM 927 OD1 ASP A 67 -7.277 14.951 10.835 1.00 0.35 O ATOM 928 OD2 ASP A 67 -6.535 15.468 12.821 1.00 15.21 O ATOM 0 H ASP A 67 -5.371 14.419 9.265 1.00 42.43 H new ATOM 0 HA ASP A 67 -3.674 15.048 11.535 1.00 62.21 H new ATOM 0 HB2 ASP A 67 -5.778 12.864 11.086 1.00 62.14 H new ATOM 0 HB3 ASP A 67 -5.118 13.343 12.637 1.00 62.14 H new ATOM 933 N ASP A 68 -3.451 12.034 10.119 1.00 32.40 N ATOM 934 CA ASP A 68 -2.612 10.838 9.903 1.00 61.21 C ATOM 935 C ASP A 68 -1.592 11.034 8.770 1.00 12.43 C ATOM 936 O ASP A 68 -0.413 10.711 8.949 1.00 74.43 O ATOM 937 CB ASP A 68 -3.523 9.625 9.586 1.00 11.20 C ATOM 938 CG ASP A 68 -4.494 9.310 10.734 1.00 3.11 C ATOM 939 OD1 ASP A 68 -5.573 9.934 10.795 1.00 44.25 O ATOM 940 OD2 ASP A 68 -4.169 8.458 11.591 1.00 24.43 O ATOM 0 H ASP A 68 -4.374 11.960 9.691 1.00 32.40 H new ATOM 0 HA ASP A 68 -2.046 10.660 10.817 1.00 61.21 H new ATOM 0 HB2 ASP A 68 -4.091 9.827 8.678 1.00 11.20 H new ATOM 0 HB3 ASP A 68 -2.904 8.751 9.387 1.00 11.20 H new ATOM 945 N SER A 69 -2.047 11.611 7.627 1.00 24.22 N ATOM 946 CA SER A 69 -1.384 11.432 6.304 1.00 1.23 C ATOM 947 C SER A 69 -1.314 9.931 6.019 1.00 3.11 C ATOM 948 O SER A 69 -0.395 9.271 6.483 1.00 41.13 O ATOM 949 CB SER A 69 0.021 12.090 6.222 1.00 45.45 C ATOM 950 OG SER A 69 -0.061 13.500 6.290 1.00 50.23 O ATOM 0 H SER A 69 -2.874 12.207 7.594 1.00 24.22 H new ATOM 0 HA SER A 69 -1.975 11.944 5.545 1.00 1.23 H new ATOM 0 HB2 SER A 69 0.644 11.721 7.037 1.00 45.45 H new ATOM 0 HB3 SER A 69 0.507 11.797 5.291 1.00 45.45 H new ATOM 0 HG SER A 69 0.142 13.882 5.411 1.00 50.23 H new ATOM 956 N ASP A 70 -2.277 9.415 5.245 1.00 4.02 N ATOM 957 CA ASP A 70 -2.673 7.993 5.280 1.00 54.12 C ATOM 958 C ASP A 70 -1.551 7.077 4.738 1.00 14.33 C ATOM 959 O ASP A 70 -1.513 6.725 3.552 1.00 33.43 O ATOM 960 CB ASP A 70 -4.021 7.803 4.518 1.00 23.11 C ATOM 961 CG ASP A 70 -4.713 6.440 4.747 1.00 72.43 C ATOM 962 OD1 ASP A 70 -4.561 5.855 5.843 1.00 72.30 O ATOM 963 OD2 ASP A 70 -5.456 5.974 3.859 1.00 50.14 O ATOM 0 H ASP A 70 -2.808 9.970 4.573 1.00 4.02 H new ATOM 0 HA ASP A 70 -2.829 7.694 6.316 1.00 54.12 H new ATOM 0 HB2 ASP A 70 -4.706 8.596 4.818 1.00 23.11 H new ATOM 0 HB3 ASP A 70 -3.838 7.926 3.450 1.00 23.11 H new ATOM 968 N ASN A 71 -0.596 6.776 5.631 1.00 14.12 N ATOM 969 CA ASN A 71 0.542 5.879 5.330 1.00 65.45 C ATOM 970 C ASN A 71 0.043 4.421 5.164 1.00 23.53 C ATOM 971 O ASN A 71 -0.186 3.711 6.153 1.00 4.30 O ATOM 972 CB ASN A 71 1.641 5.953 6.431 1.00 4.10 C ATOM 973 CG ASN A 71 2.256 7.350 6.597 1.00 21.55 C ATOM 974 OD1 ASN A 71 3.165 7.737 5.873 1.00 41.45 O ATOM 975 ND2 ASN A 71 1.798 8.105 7.573 1.00 54.44 N ATOM 0 H ASN A 71 -0.586 7.144 6.582 1.00 14.12 H new ATOM 0 HA ASN A 71 0.991 6.213 4.395 1.00 65.45 H new ATOM 0 HB2 ASN A 71 1.211 5.640 7.382 1.00 4.10 H new ATOM 0 HB3 ASN A 71 2.433 5.244 6.190 1.00 4.10 H new ATOM 0 HD21 ASN A 71 2.201 9.028 7.736 1.00 54.44 H new ATOM 0 HD22 ASN A 71 1.040 7.767 8.167 1.00 54.44 H new ATOM 982 N VAL A 72 -0.168 4.013 3.903 1.00 20.22 N ATOM 983 CA VAL A 72 -0.609 2.654 3.550 1.00 53.03 C ATOM 984 C VAL A 72 0.636 1.750 3.392 1.00 12.04 C ATOM 985 O VAL A 72 1.464 1.970 2.502 1.00 3.01 O ATOM 986 CB VAL A 72 -1.452 2.691 2.215 1.00 63.43 C ATOM 987 CG1 VAL A 72 -1.939 1.286 1.787 1.00 55.14 C ATOM 988 CG2 VAL A 72 -2.639 3.675 2.353 1.00 71.11 C ATOM 0 H VAL A 72 -0.037 4.620 3.094 1.00 20.22 H new ATOM 0 HA VAL A 72 -1.245 2.250 4.338 1.00 53.03 H new ATOM 0 HB VAL A 72 -0.793 3.047 1.423 1.00 63.43 H new ATOM 0 HG11 VAL A 72 -2.514 1.366 0.864 1.00 55.14 H new ATOM 0 HG12 VAL A 72 -1.079 0.637 1.624 1.00 55.14 H new ATOM 0 HG13 VAL A 72 -2.568 0.865 2.571 1.00 55.14 H new ATOM 0 HG21 VAL A 72 -3.210 3.689 1.425 1.00 71.11 H new ATOM 0 HG22 VAL A 72 -3.284 3.354 3.171 1.00 71.11 H new ATOM 0 HG23 VAL A 72 -2.260 4.676 2.561 1.00 71.11 H new ATOM 998 N VAL A 73 0.760 0.727 4.254 1.00 41.10 N ATOM 999 CA VAL A 73 1.949 -0.149 4.307 1.00 11.15 C ATOM 1000 C VAL A 73 1.594 -1.558 3.787 1.00 24.52 C ATOM 1001 O VAL A 73 0.840 -2.296 4.433 1.00 2.14 O ATOM 1002 CB VAL A 73 2.517 -0.233 5.776 1.00 35.31 C ATOM 1003 CG1 VAL A 73 3.759 -1.153 5.863 1.00 43.25 C ATOM 1004 CG2 VAL A 73 2.829 1.177 6.342 1.00 30.55 C ATOM 0 H VAL A 73 0.041 0.482 4.935 1.00 41.10 H new ATOM 0 HA VAL A 73 2.721 0.279 3.667 1.00 11.15 H new ATOM 0 HB VAL A 73 1.738 -0.679 6.394 1.00 35.31 H new ATOM 0 HG11 VAL A 73 4.118 -1.183 6.892 1.00 43.25 H new ATOM 0 HG12 VAL A 73 3.489 -2.160 5.544 1.00 43.25 H new ATOM 0 HG13 VAL A 73 4.545 -0.765 5.215 1.00 43.25 H new ATOM 0 HG21 VAL A 73 3.219 1.084 7.356 1.00 30.55 H new ATOM 0 HG22 VAL A 73 3.571 1.666 5.711 1.00 30.55 H new ATOM 0 HG23 VAL A 73 1.917 1.773 6.357 1.00 30.55 H new ATOM 1014 N ILE A 74 2.134 -1.918 2.608 1.00 70.13 N ATOM 1015 CA ILE A 74 1.892 -3.230 1.974 1.00 3.30 C ATOM 1016 C ILE A 74 3.105 -4.164 2.221 1.00 12.44 C ATOM 1017 O ILE A 74 4.188 -3.965 1.666 1.00 13.45 O ATOM 1018 CB ILE A 74 1.596 -3.071 0.432 1.00 4.14 C ATOM 1019 CG1 ILE A 74 0.381 -2.101 0.217 1.00 54.03 C ATOM 1020 CG2 ILE A 74 1.343 -4.451 -0.235 1.00 1.53 C ATOM 1021 CD1 ILE A 74 0.021 -1.815 -1.231 1.00 63.43 C ATOM 0 H ILE A 74 2.749 -1.310 2.068 1.00 70.13 H new ATOM 0 HA ILE A 74 1.009 -3.680 2.427 1.00 3.30 H new ATOM 0 HB ILE A 74 2.473 -2.637 -0.049 1.00 4.14 H new ATOM 0 HG12 ILE A 74 -0.492 -2.525 0.713 1.00 54.03 H new ATOM 0 HG13 ILE A 74 0.601 -1.155 0.712 1.00 54.03 H new ATOM 0 HG21 ILE A 74 1.142 -4.310 -1.297 1.00 1.53 H new ATOM 0 HG22 ILE A 74 2.224 -5.081 -0.113 1.00 1.53 H new ATOM 0 HG23 ILE A 74 0.485 -4.931 0.236 1.00 1.53 H new ATOM 0 HD11 ILE A 74 -0.830 -1.135 -1.267 1.00 63.43 H new ATOM 0 HD12 ILE A 74 0.873 -1.357 -1.734 1.00 63.43 H new ATOM 0 HD13 ILE A 74 -0.238 -2.747 -1.733 1.00 63.43 H new ATOM 1033 N HIS A 75 2.894 -5.170 3.082 1.00 20.24 N ATOM 1034 CA HIS A 75 3.931 -6.132 3.511 1.00 42.23 C ATOM 1035 C HIS A 75 4.075 -7.278 2.474 1.00 12.32 C ATOM 1036 O HIS A 75 3.062 -7.840 2.042 1.00 41.54 O ATOM 1037 CB HIS A 75 3.537 -6.713 4.895 1.00 22.35 C ATOM 1038 CG HIS A 75 3.401 -5.689 6.004 1.00 25.25 C ATOM 1039 ND1 HIS A 75 4.312 -5.565 7.031 1.00 51.14 N ATOM 1040 CD2 HIS A 75 2.435 -4.765 6.264 1.00 25.54 C ATOM 1041 CE1 HIS A 75 3.920 -4.621 7.862 1.00 64.31 C ATOM 1042 NE2 HIS A 75 2.789 -4.122 7.422 1.00 73.30 N ATOM 0 H HIS A 75 1.984 -5.345 3.509 1.00 20.24 H new ATOM 0 HA HIS A 75 4.890 -5.619 3.585 1.00 42.23 H new ATOM 0 HB2 HIS A 75 2.591 -7.244 4.793 1.00 22.35 H new ATOM 0 HB3 HIS A 75 4.285 -7.449 5.190 1.00 22.35 H new ATOM 0 HD2 HIS A 75 1.554 -4.574 5.669 1.00 25.54 H new ATOM 0 HE1 HIS A 75 4.442 -4.310 8.755 1.00 64.31 H new ATOM 0 HE2 HIS A 75 2.258 -3.375 7.870 1.00 73.30 H new ATOM 1051 N LEU A 76 5.330 -7.617 2.082 1.00 45.42 N ATOM 1052 CA LEU A 76 5.618 -8.701 1.094 1.00 73.40 C ATOM 1053 C LEU A 76 6.739 -9.651 1.608 1.00 73.42 C ATOM 1054 O LEU A 76 7.752 -9.193 2.107 1.00 21.23 O ATOM 1055 CB LEU A 76 6.056 -8.078 -0.274 1.00 50.24 C ATOM 1056 CG LEU A 76 5.042 -7.098 -0.955 1.00 62.35 C ATOM 1057 CD1 LEU A 76 5.646 -6.445 -2.218 1.00 64.31 C ATOM 1058 CD2 LEU A 76 3.700 -7.801 -1.277 1.00 64.41 C ATOM 0 H LEU A 76 6.167 -7.154 2.436 1.00 45.42 H new ATOM 0 HA LEU A 76 4.705 -9.281 0.961 1.00 73.40 H new ATOM 0 HB2 LEU A 76 6.994 -7.545 -0.121 1.00 50.24 H new ATOM 0 HB3 LEU A 76 6.262 -8.892 -0.969 1.00 50.24 H new ATOM 0 HG LEU A 76 4.834 -6.302 -0.240 1.00 62.35 H new ATOM 0 HD11 LEU A 76 4.915 -5.771 -2.664 1.00 64.31 H new ATOM 0 HD12 LEU A 76 6.539 -5.882 -1.945 1.00 64.31 H new ATOM 0 HD13 LEU A 76 5.911 -7.220 -2.937 1.00 64.31 H new ATOM 0 HD21 LEU A 76 3.021 -7.091 -1.749 1.00 64.41 H new ATOM 0 HD22 LEU A 76 3.880 -8.636 -1.955 1.00 64.41 H new ATOM 0 HD23 LEU A 76 3.253 -8.172 -0.355 1.00 64.41 H new ATOM 1070 N LYS A 77 6.579 -10.976 1.437 1.00 24.55 N ATOM 1071 CA LYS A 77 7.644 -11.969 1.788 1.00 14.14 C ATOM 1072 C LYS A 77 8.294 -12.564 0.525 1.00 51.22 C ATOM 1073 O LYS A 77 7.827 -12.342 -0.579 1.00 73.40 O ATOM 1074 CB LYS A 77 7.084 -13.111 2.688 1.00 14.24 C ATOM 1075 CG LYS A 77 6.748 -12.696 4.139 1.00 24.24 C ATOM 1076 CD LYS A 77 6.182 -13.878 4.969 1.00 13.21 C ATOM 1077 CE LYS A 77 5.706 -13.460 6.371 1.00 33.02 C ATOM 1078 NZ LYS A 77 6.792 -12.869 7.196 1.00 61.43 N ATOM 0 H LYS A 77 5.729 -11.396 1.060 1.00 24.55 H new ATOM 0 HA LYS A 77 8.408 -11.431 2.350 1.00 14.14 H new ATOM 0 HB2 LYS A 77 6.183 -13.511 2.223 1.00 14.24 H new ATOM 0 HB3 LYS A 77 7.813 -13.920 2.717 1.00 14.24 H new ATOM 0 HG2 LYS A 77 7.646 -12.312 4.623 1.00 24.24 H new ATOM 0 HG3 LYS A 77 6.021 -11.884 4.124 1.00 24.24 H new ATOM 0 HD2 LYS A 77 5.349 -14.327 4.428 1.00 13.21 H new ATOM 0 HD3 LYS A 77 6.950 -14.646 5.067 1.00 13.21 H new ATOM 0 HE2 LYS A 77 4.896 -12.738 6.274 1.00 33.02 H new ATOM 0 HE3 LYS A 77 5.298 -14.330 6.885 1.00 33.02 H new ATOM 0 HZ1 LYS A 77 6.824 -13.345 8.120 1.00 61.43 H new ATOM 0 HZ2 LYS A 77 7.703 -12.994 6.711 1.00 61.43 H new ATOM 0 HZ3 LYS A 77 6.610 -11.855 7.335 1.00 61.43 H new ATOM 1092 N HIS A 78 9.387 -13.326 0.699 1.00 43.50 N ATOM 1093 CA HIS A 78 10.075 -13.994 -0.431 1.00 5.43 C ATOM 1094 C HIS A 78 9.480 -15.397 -0.691 1.00 71.31 C ATOM 1095 O HIS A 78 9.368 -16.213 0.233 1.00 12.14 O ATOM 1096 CB HIS A 78 11.596 -14.091 -0.158 1.00 50.11 C ATOM 1097 CG HIS A 78 12.282 -12.752 -0.060 1.00 3.52 C ATOM 1098 ND1 HIS A 78 13.388 -12.529 0.730 1.00 44.02 N ATOM 1099 CD2 HIS A 78 12.022 -11.569 -0.676 1.00 44.32 C ATOM 1100 CE1 HIS A 78 13.777 -11.278 0.598 1.00 73.55 C ATOM 1101 NE2 HIS A 78 12.966 -10.669 -0.246 1.00 12.24 N ATOM 0 H HIS A 78 9.817 -13.498 1.608 1.00 43.50 H new ATOM 0 HA HIS A 78 9.920 -13.391 -1.326 1.00 5.43 H new ATOM 0 HB2 HIS A 78 11.755 -14.639 0.771 1.00 50.11 H new ATOM 0 HB3 HIS A 78 12.063 -14.671 -0.954 1.00 50.11 H new ATOM 0 HD2 HIS A 78 11.222 -11.373 -1.374 1.00 44.32 H new ATOM 0 HE1 HIS A 78 14.620 -10.825 1.098 1.00 73.55 H new ATOM 0 HE2 HIS A 78 13.030 -9.692 -0.532 1.00 12.24 H new ATOM 1110 N GLY A 79 9.115 -15.668 -1.961 1.00 61.01 N ATOM 1111 CA GLY A 79 8.547 -16.964 -2.361 1.00 13.22 C ATOM 1112 C GLY A 79 9.615 -17.933 -2.873 1.00 65.11 C ATOM 1113 O GLY A 79 10.589 -18.219 -2.165 1.00 61.30 O ATOM 0 H GLY A 79 9.206 -15.001 -2.727 1.00 61.01 H new ATOM 0 HA2 GLY A 79 8.032 -17.411 -1.510 1.00 13.22 H new ATOM 0 HA3 GLY A 79 7.800 -16.806 -3.139 1.00 13.22 H new ATOM 1117 N LEU A 80 9.443 -18.443 -4.106 1.00 35.21 N ATOM 1118 CA LEU A 80 10.422 -19.350 -4.749 1.00 72.44 C ATOM 1119 C LEU A 80 11.002 -18.681 -6.017 1.00 50.23 C ATOM 1120 O LEU A 80 10.305 -18.533 -7.031 1.00 50.11 O ATOM 1121 CB LEU A 80 9.755 -20.715 -5.088 1.00 31.42 C ATOM 1122 CG LEU A 80 10.690 -21.808 -5.712 1.00 0.24 C ATOM 1123 CD1 LEU A 80 11.881 -22.143 -4.786 1.00 5.30 C ATOM 1124 CD2 LEU A 80 9.895 -23.085 -6.079 1.00 33.22 C ATOM 0 H LEU A 80 8.628 -18.242 -4.685 1.00 35.21 H new ATOM 0 HA LEU A 80 11.241 -19.543 -4.057 1.00 72.44 H new ATOM 0 HB2 LEU A 80 9.318 -21.119 -4.175 1.00 31.42 H new ATOM 0 HB3 LEU A 80 8.933 -20.532 -5.780 1.00 31.42 H new ATOM 0 HG LEU A 80 11.100 -21.391 -6.632 1.00 0.24 H new ATOM 0 HD11 LEU A 80 12.504 -22.904 -5.255 1.00 5.30 H new ATOM 0 HD12 LEU A 80 12.473 -21.244 -4.615 1.00 5.30 H new ATOM 0 HD13 LEU A 80 11.507 -22.517 -3.833 1.00 5.30 H new ATOM 0 HD21 LEU A 80 10.571 -23.824 -6.509 1.00 33.22 H new ATOM 0 HD22 LEU A 80 9.432 -23.496 -5.182 1.00 33.22 H new ATOM 0 HD23 LEU A 80 9.121 -22.836 -6.805 1.00 33.22 H new