USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 7 LYS NZ :NH3+ -121:sc= -0.173 (180deg=-0.0141) USER MOD Set 1.2: A 9 TYR OH : rot 0:sc= -0.183 USER MOD Single : A 3 SER OG : rot -35:sc= 0.13 USER MOD Single : A 5 THR OG1 : rot -83:sc= 0.126 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 4:sc= 0.672! USER MOD Single : A 42 CYS SG : rot -150:sc= -0.855 USER MOD Single : A 47 SER OG : rot 96:sc= 0.0835 USER MOD Single : A 62 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.8!) USER MOD Single : A 64 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-5.9!) USER MOD Single : A 65 TYR OH : rot -53:sc= 0.0309 USER MOD Single : A 76 SER OG : rot 68:sc= 0.776 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -178:sc= 0 (180deg=-0.00343) USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0203 (180deg=-0.0203) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -114:sc= -0.153 (180deg=-2.15!) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 2.700 -5.459 -2.555 1.00 52.24 N ATOM 36 CA SER A 3 2.264 -6.514 -3.462 1.00 34.41 C ATOM 37 C SER A 3 2.861 -7.859 -3.058 1.00 1.23 C ATOM 38 O SER A 3 4.043 -7.951 -2.722 1.00 13.42 O ATOM 39 CB SER A 3 2.662 -6.178 -4.900 1.00 44.10 C ATOM 40 OG SER A 3 4.048 -5.894 -4.992 1.00 13.11 O ATOM 0 HA SER A 3 1.178 -6.585 -3.401 1.00 34.41 H new ATOM 0 HB2 SER A 3 2.415 -7.014 -5.554 1.00 44.10 H new ATOM 0 HB3 SER A 3 2.088 -5.320 -5.249 1.00 44.10 H new ATOM 0 HG SER A 3 4.344 -5.441 -4.175 1.00 13.11 H new ATOM 46 N LEU A 4 2.037 -8.900 -3.093 1.00 13.24 N ATOM 47 CA LEU A 4 2.482 -10.241 -2.730 1.00 50.13 C ATOM 48 C LEU A 4 1.938 -11.278 -3.708 1.00 3.11 C ATOM 49 O LEU A 4 0.747 -11.290 -4.019 1.00 51.44 O ATOM 50 CB LEU A 4 2.035 -10.581 -1.307 1.00 71.05 C ATOM 51 CG LEU A 4 2.448 -9.590 -0.219 1.00 51.41 C ATOM 52 CD1 LEU A 4 1.390 -9.522 0.871 1.00 33.41 C ATOM 53 CD2 LEU A 4 3.798 -9.975 0.368 1.00 11.55 C ATOM 0 H LEU A 4 1.057 -8.842 -3.369 1.00 13.24 H new ATOM 0 HA LEU A 4 3.571 -10.261 -2.776 1.00 50.13 H new ATOM 0 HB2 LEU A 4 0.948 -10.666 -1.300 1.00 71.05 H new ATOM 0 HB3 LEU A 4 2.433 -11.562 -1.047 1.00 71.05 H new ATOM 0 HG LEU A 4 2.539 -8.602 -0.670 1.00 51.41 H new ATOM 0 HD11 LEU A 4 1.702 -8.812 1.637 1.00 33.41 H new ATOM 0 HD12 LEU A 4 0.443 -9.198 0.439 1.00 33.41 H new ATOM 0 HD13 LEU A 4 1.266 -10.508 1.320 1.00 33.41 H new ATOM 0 HD21 LEU A 4 4.076 -9.259 1.141 1.00 11.55 H new ATOM 0 HD22 LEU A 4 3.734 -10.972 0.803 1.00 11.55 H new ATOM 0 HD23 LEU A 4 4.552 -9.970 -0.419 1.00 11.55 H new ATOM 65 N THR A 5 2.819 -12.150 -4.188 1.00 64.02 N ATOM 66 CA THR A 5 2.428 -13.192 -5.129 1.00 43.24 C ATOM 67 C THR A 5 1.515 -14.217 -4.467 1.00 12.32 C ATOM 68 O THR A 5 1.850 -14.780 -3.425 1.00 21.21 O ATOM 69 CB THR A 5 3.658 -13.916 -5.709 1.00 2.12 C ATOM 70 OG1 THR A 5 4.805 -13.668 -4.887 1.00 74.33 O ATOM 71 CG2 THR A 5 3.938 -13.454 -7.131 1.00 52.10 C ATOM 0 H THR A 5 3.808 -12.155 -3.940 1.00 64.02 H new ATOM 0 HA THR A 5 1.890 -12.700 -5.939 1.00 43.24 H new ATOM 0 HB THR A 5 3.448 -14.985 -5.726 1.00 2.12 H new ATOM 0 HG1 THR A 5 5.205 -12.808 -5.134 1.00 74.33 H new ATOM 0 HG21 THR A 5 4.811 -13.979 -7.519 1.00 52.10 H new ATOM 0 HG22 THR A 5 3.075 -13.670 -7.760 1.00 52.10 H new ATOM 0 HG23 THR A 5 4.129 -12.381 -7.134 1.00 52.10 H new ATOM 79 N VAL A 6 0.359 -14.455 -5.078 1.00 54.30 N ATOM 80 CA VAL A 6 -0.603 -15.414 -4.548 1.00 10.11 C ATOM 81 C VAL A 6 -0.847 -16.550 -5.535 1.00 22.23 C ATOM 82 O VAL A 6 -1.293 -16.325 -6.660 1.00 33.51 O ATOM 83 CB VAL A 6 -1.947 -14.738 -4.219 1.00 10.55 C ATOM 84 CG1 VAL A 6 -2.492 -14.010 -5.438 1.00 60.02 C ATOM 85 CG2 VAL A 6 -2.948 -15.763 -3.708 1.00 0.12 C ATOM 0 H VAL A 6 0.066 -13.997 -5.941 1.00 54.30 H new ATOM 0 HA VAL A 6 -0.174 -15.818 -3.631 1.00 10.11 H new ATOM 0 HB VAL A 6 -1.780 -14.003 -3.432 1.00 10.55 H new ATOM 0 HG11 VAL A 6 -3.442 -13.539 -5.186 1.00 60.02 H new ATOM 0 HG12 VAL A 6 -1.781 -13.247 -5.754 1.00 60.02 H new ATOM 0 HG13 VAL A 6 -2.644 -14.722 -6.249 1.00 60.02 H new ATOM 0 HG21 VAL A 6 -3.892 -15.268 -3.480 1.00 0.12 H new ATOM 0 HG22 VAL A 6 -3.112 -16.523 -4.472 1.00 0.12 H new ATOM 0 HG23 VAL A 6 -2.558 -16.233 -2.805 1.00 0.12 H new ATOM 95 N LYS A 7 -0.551 -17.772 -5.106 1.00 30.42 N ATOM 96 CA LYS A 7 -0.739 -18.946 -5.950 1.00 32.42 C ATOM 97 C LYS A 7 -2.066 -19.633 -5.640 1.00 3.44 C ATOM 98 O LYS A 7 -2.520 -19.638 -4.496 1.00 23.11 O ATOM 99 CB LYS A 7 0.415 -19.932 -5.753 1.00 41.31 C ATOM 100 CG LYS A 7 1.696 -19.516 -6.456 1.00 30.23 C ATOM 101 CD LYS A 7 2.909 -20.215 -5.864 1.00 74.11 C ATOM 102 CE LYS A 7 3.239 -21.493 -6.620 1.00 30.13 C ATOM 103 NZ LYS A 7 2.528 -22.672 -6.053 1.00 35.20 N ATOM 0 H LYS A 7 -0.180 -17.975 -4.178 1.00 30.42 H new ATOM 0 HA LYS A 7 -0.754 -18.616 -6.989 1.00 32.42 H new ATOM 0 HB2 LYS A 7 0.613 -20.038 -4.686 1.00 41.31 H new ATOM 0 HB3 LYS A 7 0.111 -20.912 -6.120 1.00 41.31 H new ATOM 0 HG2 LYS A 7 1.622 -19.750 -7.518 1.00 30.23 H new ATOM 0 HG3 LYS A 7 1.822 -18.436 -6.376 1.00 30.23 H new ATOM 0 HD2 LYS A 7 3.767 -19.543 -5.891 1.00 74.11 H new ATOM 0 HD3 LYS A 7 2.720 -20.449 -4.816 1.00 74.11 H new ATOM 0 HE2 LYS A 7 2.967 -21.375 -7.669 1.00 30.13 H new ATOM 0 HE3 LYS A 7 4.315 -21.667 -6.587 1.00 30.13 H new ATOM 0 HZ1 LYS A 7 3.223 -23.384 -5.749 1.00 35.20 H new ATOM 0 HZ2 LYS A 7 1.958 -22.374 -5.236 1.00 35.20 H new ATOM 0 HZ3 LYS A 7 1.905 -23.083 -6.777 1.00 35.20 H new ATOM 117 N ALA A 8 -2.681 -20.211 -6.665 1.00 74.34 N ATOM 118 CA ALA A 8 -3.954 -20.903 -6.501 1.00 23.30 C ATOM 119 C ALA A 8 -3.857 -22.350 -6.975 1.00 13.52 C ATOM 120 O ALA A 8 -3.143 -22.654 -7.930 1.00 44.41 O ATOM 121 CB ALA A 8 -5.054 -20.171 -7.255 1.00 30.12 C ATOM 0 H ALA A 8 -2.319 -20.214 -7.619 1.00 74.34 H new ATOM 0 HA ALA A 8 -4.201 -20.911 -5.439 1.00 23.30 H new ATOM 0 HB1 ALA A 8 -5.999 -20.699 -7.124 1.00 30.12 H new ATOM 0 HB2 ALA A 8 -5.148 -19.157 -6.867 1.00 30.12 H new ATOM 0 HB3 ALA A 8 -4.805 -20.132 -8.315 1.00 30.12 H new ATOM 127 N TYR A 9 -4.580 -23.237 -6.301 1.00 30.21 N ATOM 128 CA TYR A 9 -4.573 -24.652 -6.651 1.00 72.54 C ATOM 129 C TYR A 9 -5.971 -25.124 -7.042 1.00 44.34 C ATOM 130 O TYR A 9 -6.867 -25.212 -6.202 1.00 40.31 O ATOM 131 CB TYR A 9 -4.051 -25.487 -5.481 1.00 5.22 C ATOM 132 CG TYR A 9 -2.577 -25.287 -5.205 1.00 73.42 C ATOM 133 CD1 TYR A 9 -1.613 -25.859 -6.026 1.00 50.32 C ATOM 134 CD2 TYR A 9 -2.150 -24.526 -4.124 1.00 23.51 C ATOM 135 CE1 TYR A 9 -0.266 -25.680 -5.778 1.00 11.45 C ATOM 136 CE2 TYR A 9 -0.805 -24.341 -3.869 1.00 2.25 C ATOM 137 CZ TYR A 9 0.133 -24.920 -4.698 1.00 1.22 C ATOM 138 OH TYR A 9 1.474 -24.738 -4.448 1.00 11.14 O ATOM 0 H TYR A 9 -5.178 -23.001 -5.509 1.00 30.21 H new ATOM 0 HA TYR A 9 -3.911 -24.784 -7.507 1.00 72.54 H new ATOM 0 HB2 TYR A 9 -4.618 -25.235 -4.584 1.00 5.22 H new ATOM 0 HB3 TYR A 9 -4.234 -26.541 -5.688 1.00 5.22 H new ATOM 0 HD1 TYR A 9 -1.922 -26.454 -6.873 1.00 50.32 H new ATOM 0 HD2 TYR A 9 -2.882 -24.072 -3.472 1.00 23.51 H new ATOM 0 HE1 TYR A 9 0.470 -26.132 -6.426 1.00 11.45 H new ATOM 0 HE2 TYR A 9 -0.490 -23.746 -3.025 1.00 2.25 H new ATOM 0 HH TYR A 9 2.000 -25.211 -5.126 1.00 11.14 H new ATOM 148 N LEU A 10 -6.149 -25.426 -8.324 1.00 23.04 N ATOM 149 CA LEU A 10 -7.436 -25.890 -8.829 1.00 15.45 C ATOM 150 C LEU A 10 -7.603 -27.389 -8.601 1.00 11.42 C ATOM 151 O LEU A 10 -6.672 -28.167 -8.813 1.00 11.15 O ATOM 152 CB LEU A 10 -7.567 -25.571 -10.319 1.00 2.00 C ATOM 153 CG LEU A 10 -8.969 -25.205 -10.807 1.00 60.41 C ATOM 154 CD1 LEU A 10 -9.920 -26.378 -10.625 1.00 12.22 C ATOM 155 CD2 LEU A 10 -9.486 -23.977 -10.072 1.00 72.32 C ATOM 0 H LEU A 10 -5.418 -25.358 -9.032 1.00 23.04 H new ATOM 0 HA LEU A 10 -8.222 -25.369 -8.282 1.00 15.45 H new ATOM 0 HB2 LEU A 10 -6.895 -24.745 -10.554 1.00 2.00 H new ATOM 0 HB3 LEU A 10 -7.221 -26.435 -10.887 1.00 2.00 H new ATOM 0 HG LEU A 10 -8.914 -24.970 -11.870 1.00 60.41 H new ATOM 0 HD11 LEU A 10 -10.913 -26.099 -10.978 1.00 12.22 H new ATOM 0 HD12 LEU A 10 -9.558 -27.232 -11.197 1.00 12.22 H new ATOM 0 HD13 LEU A 10 -9.971 -26.644 -9.569 1.00 12.22 H new ATOM 0 HD21 LEU A 10 -10.485 -23.731 -10.432 1.00 72.32 H new ATOM 0 HD22 LEU A 10 -9.526 -24.183 -9.002 1.00 72.32 H new ATOM 0 HD23 LEU A 10 -8.817 -23.136 -10.254 1.00 72.32 H new ATOM 167 N LEU A 11 -8.795 -27.787 -8.170 1.00 62.34 N ATOM 168 CA LEU A 11 -9.085 -29.194 -7.916 1.00 71.20 C ATOM 169 C LEU A 11 -10.387 -29.613 -8.593 1.00 5.35 C ATOM 170 O LEU A 11 -11.448 -29.055 -8.318 1.00 11.02 O ATOM 171 CB LEU A 11 -9.173 -29.453 -6.411 1.00 30.20 C ATOM 172 CG LEU A 11 -8.128 -28.747 -5.546 1.00 60.33 C ATOM 173 CD1 LEU A 11 -8.513 -28.822 -4.077 1.00 5.12 C ATOM 174 CD2 LEU A 11 -6.751 -29.355 -5.771 1.00 32.53 C ATOM 0 H LEU A 11 -9.576 -27.156 -7.989 1.00 62.34 H new ATOM 0 HA LEU A 11 -8.272 -29.788 -8.334 1.00 71.20 H new ATOM 0 HB2 LEU A 11 -10.163 -29.152 -6.068 1.00 30.20 H new ATOM 0 HB3 LEU A 11 -9.090 -30.527 -6.242 1.00 30.20 H new ATOM 0 HG LEU A 11 -8.091 -27.697 -5.837 1.00 60.33 H new ATOM 0 HD11 LEU A 11 -7.758 -28.314 -3.477 1.00 5.12 H new ATOM 0 HD12 LEU A 11 -9.479 -28.339 -3.929 1.00 5.12 H new ATOM 0 HD13 LEU A 11 -8.578 -29.866 -3.771 1.00 5.12 H new ATOM 0 HD21 LEU A 11 -6.020 -28.840 -5.148 1.00 32.53 H new ATOM 0 HD22 LEU A 11 -6.773 -30.412 -5.507 1.00 32.53 H new ATOM 0 HD23 LEU A 11 -6.473 -29.248 -6.820 1.00 32.53 H new ATOM 186 N GLY A 12 -10.297 -30.601 -9.478 1.00 5.32 N ATOM 187 CA GLY A 12 -11.474 -31.079 -10.178 1.00 52.22 C ATOM 188 C GLY A 12 -12.198 -32.172 -9.417 1.00 3.32 C ATOM 189 O GLY A 12 -12.430 -32.052 -8.214 1.00 3.14 O ATOM 0 H GLY A 12 -9.430 -31.079 -9.722 1.00 5.32 H new ATOM 0 HA2 GLY A 12 -12.156 -30.246 -10.347 1.00 52.22 H new ATOM 0 HA3 GLY A 12 -11.182 -31.456 -11.158 1.00 52.22 H new ATOM 193 N LYS A 13 -12.557 -33.241 -10.119 1.00 14.02 N ATOM 194 CA LYS A 13 -13.260 -34.361 -9.503 1.00 4.42 C ATOM 195 C LYS A 13 -12.283 -35.288 -8.788 1.00 23.52 C ATOM 196 O LYS A 13 -12.600 -35.849 -7.740 1.00 33.43 O ATOM 197 CB LYS A 13 -14.042 -35.143 -10.560 1.00 45.14 C ATOM 198 CG LYS A 13 -14.836 -36.306 -9.993 1.00 32.15 C ATOM 199 CD LYS A 13 -14.021 -37.588 -9.986 1.00 24.21 C ATOM 200 CE LYS A 13 -14.915 -38.818 -9.994 1.00 35.15 C ATOM 201 NZ LYS A 13 -15.379 -39.158 -11.367 1.00 62.42 N ATOM 0 H LYS A 13 -12.373 -33.356 -11.116 1.00 14.02 H new ATOM 0 HA LYS A 13 -13.958 -33.960 -8.768 1.00 4.42 H new ATOM 0 HB2 LYS A 13 -14.724 -34.464 -11.072 1.00 45.14 H new ATOM 0 HB3 LYS A 13 -13.346 -35.520 -11.309 1.00 45.14 H new ATOM 0 HG2 LYS A 13 -15.153 -36.070 -8.977 1.00 32.15 H new ATOM 0 HG3 LYS A 13 -15.740 -36.452 -10.583 1.00 32.15 H new ATOM 0 HD2 LYS A 13 -13.365 -37.608 -10.857 1.00 24.21 H new ATOM 0 HD3 LYS A 13 -13.381 -37.608 -9.104 1.00 24.21 H new ATOM 0 HE2 LYS A 13 -14.371 -39.665 -9.574 1.00 35.15 H new ATOM 0 HE3 LYS A 13 -15.778 -38.644 -9.352 1.00 35.15 H new ATOM 0 HZ1 LYS A 13 -15.986 -40.002 -11.329 1.00 62.42 H new ATOM 0 HZ2 LYS A 13 -15.919 -38.360 -11.758 1.00 62.42 H new ATOM 0 HZ3 LYS A 13 -14.556 -39.350 -11.974 1.00 62.42 H new ATOM 215 N GLU A 14 -11.093 -35.444 -9.361 1.00 54.32 N ATOM 216 CA GLU A 14 -10.071 -36.303 -8.777 1.00 22.42 C ATOM 217 C GLU A 14 -9.387 -35.613 -7.600 1.00 71.21 C ATOM 218 O GLU A 14 -8.585 -36.221 -6.892 1.00 45.25 O ATOM 219 CB GLU A 14 -9.031 -36.686 -9.832 1.00 21.30 C ATOM 220 CG GLU A 14 -9.638 -37.205 -11.125 1.00 21.13 C ATOM 221 CD GLU A 14 -8.678 -38.076 -11.911 1.00 72.44 C ATOM 222 OE1 GLU A 14 -8.044 -38.962 -11.300 1.00 10.44 O ATOM 223 OE2 GLU A 14 -8.561 -37.873 -13.138 1.00 21.52 O ATOM 0 H GLU A 14 -10.814 -34.986 -10.229 1.00 54.32 H new ATOM 0 HA GLU A 14 -10.558 -37.207 -8.412 1.00 22.42 H new ATOM 0 HB2 GLU A 14 -8.414 -35.816 -10.054 1.00 21.30 H new ATOM 0 HB3 GLU A 14 -8.370 -37.448 -9.419 1.00 21.30 H new ATOM 0 HG2 GLU A 14 -10.537 -37.777 -10.896 1.00 21.13 H new ATOM 0 HG3 GLU A 14 -9.945 -36.361 -11.742 1.00 21.13 H new ATOM 230 N GLU A 15 -9.711 -34.340 -7.399 1.00 14.33 N ATOM 231 CA GLU A 15 -9.127 -33.567 -6.309 1.00 54.40 C ATOM 232 C GLU A 15 -7.620 -33.420 -6.493 1.00 43.21 C ATOM 233 O GLU A 15 -6.855 -33.513 -5.534 1.00 4.02 O ATOM 234 CB GLU A 15 -9.426 -34.233 -4.964 1.00 44.03 C ATOM 235 CG GLU A 15 -10.883 -34.627 -4.790 1.00 63.01 C ATOM 236 CD GLU A 15 -11.146 -35.319 -3.467 1.00 2.45 C ATOM 237 OE1 GLU A 15 -10.166 -35.696 -2.790 1.00 70.11 O ATOM 238 OE2 GLU A 15 -12.330 -35.483 -3.107 1.00 53.53 O ATOM 0 H GLU A 15 -10.374 -33.822 -7.976 1.00 14.33 H new ATOM 0 HA GLU A 15 -9.575 -32.574 -6.321 1.00 54.40 H new ATOM 0 HB2 GLU A 15 -8.803 -35.122 -4.862 1.00 44.03 H new ATOM 0 HB3 GLU A 15 -9.144 -33.552 -4.161 1.00 44.03 H new ATOM 0 HG2 GLU A 15 -11.507 -33.736 -4.860 1.00 63.01 H new ATOM 0 HG3 GLU A 15 -11.177 -35.287 -5.606 1.00 63.01 H new ATOM 245 N ALA A 16 -7.201 -33.190 -7.733 1.00 65.22 N ATOM 246 CA ALA A 16 -5.786 -33.029 -8.044 1.00 25.12 C ATOM 247 C ALA A 16 -5.515 -31.671 -8.683 1.00 61.41 C ATOM 248 O ALA A 16 -6.428 -31.019 -9.188 1.00 73.51 O ATOM 249 CB ALA A 16 -5.315 -34.149 -8.960 1.00 74.11 C ATOM 0 H ALA A 16 -7.822 -33.111 -8.539 1.00 65.22 H new ATOM 0 HA ALA A 16 -5.227 -33.080 -7.110 1.00 25.12 H new ATOM 0 HB1 ALA A 16 -4.257 -34.015 -9.184 1.00 74.11 H new ATOM 0 HB2 ALA A 16 -5.463 -35.109 -8.466 1.00 74.11 H new ATOM 0 HB3 ALA A 16 -5.887 -34.126 -9.887 1.00 74.11 H new ATOM 255 N ALA A 17 -4.254 -31.251 -8.657 1.00 15.21 N ATOM 256 CA ALA A 17 -3.864 -29.971 -9.235 1.00 60.11 C ATOM 257 C ALA A 17 -4.167 -29.928 -10.729 1.00 62.40 C ATOM 258 O ALA A 17 -3.453 -30.527 -11.534 1.00 31.11 O ATOM 259 CB ALA A 17 -2.386 -29.709 -8.986 1.00 50.45 C ATOM 0 H ALA A 17 -3.486 -31.778 -8.242 1.00 15.21 H new ATOM 0 HA ALA A 17 -4.447 -29.188 -8.750 1.00 60.11 H new ATOM 0 HB1 ALA A 17 -2.108 -28.750 -9.423 1.00 50.45 H new ATOM 0 HB2 ALA A 17 -2.196 -29.688 -7.913 1.00 50.45 H new ATOM 0 HB3 ALA A 17 -1.794 -30.501 -9.444 1.00 50.45 H new ATOM 265 N ARG A 18 -5.229 -29.218 -11.093 1.00 14.14 N ATOM 266 CA ARG A 18 -5.627 -29.099 -12.490 1.00 74.21 C ATOM 267 C ARG A 18 -4.858 -27.977 -13.181 1.00 14.20 C ATOM 268 O ARG A 18 -4.293 -28.170 -14.256 1.00 62.25 O ATOM 269 CB ARG A 18 -7.132 -28.840 -12.594 1.00 25.40 C ATOM 270 CG ARG A 18 -7.970 -30.108 -12.573 1.00 14.33 C ATOM 271 CD ARG A 18 -9.285 -29.918 -13.313 1.00 14.25 C ATOM 272 NE ARG A 18 -9.097 -29.872 -14.760 1.00 53.11 N ATOM 273 CZ ARG A 18 -10.099 -29.887 -15.632 1.00 52.12 C ATOM 274 NH1 ARG A 18 -11.353 -29.946 -15.205 1.00 51.14 N ATOM 275 NH2 ARG A 18 -9.848 -29.842 -16.934 1.00 63.43 N ATOM 0 H ARG A 18 -5.830 -28.716 -10.439 1.00 14.14 H new ATOM 0 HA ARG A 18 -5.392 -30.039 -12.990 1.00 74.21 H new ATOM 0 HB2 ARG A 18 -7.440 -28.197 -11.769 1.00 25.40 H new ATOM 0 HB3 ARG A 18 -7.336 -28.295 -13.516 1.00 25.40 H new ATOM 0 HG2 ARG A 18 -7.409 -30.924 -13.029 1.00 14.33 H new ATOM 0 HG3 ARG A 18 -8.170 -30.396 -11.541 1.00 14.33 H new ATOM 0 HD2 ARG A 18 -9.964 -30.733 -13.061 1.00 14.25 H new ATOM 0 HD3 ARG A 18 -9.758 -28.995 -12.979 1.00 14.25 H new ATOM 0 HE ARG A 18 -8.144 -29.826 -15.121 1.00 53.11 H new ATOM 0 HH11 ARG A 18 -11.550 -29.980 -14.205 1.00 51.14 H new ATOM 0 HH12 ARG A 18 -12.120 -29.957 -15.877 1.00 51.14 H new ATOM 0 HH21 ARG A 18 -8.885 -29.796 -17.266 1.00 63.43 H new ATOM 0 HH22 ARG A 18 -10.618 -29.854 -17.603 1.00 63.43 H new ATOM 289 N GLU A 19 -4.843 -26.804 -12.555 1.00 34.10 N ATOM 290 CA GLU A 19 -4.145 -25.651 -13.111 1.00 31.00 C ATOM 291 C GLU A 19 -3.432 -24.866 -12.014 1.00 12.32 C ATOM 292 O GLU A 19 -3.692 -25.063 -10.826 1.00 51.54 O ATOM 293 CB GLU A 19 -5.127 -24.740 -13.850 1.00 13.52 C ATOM 294 CG GLU A 19 -5.245 -25.047 -15.333 1.00 43.32 C ATOM 295 CD GLU A 19 -6.247 -26.147 -15.624 1.00 22.25 C ATOM 296 OE1 GLU A 19 -7.197 -26.308 -14.830 1.00 15.55 O ATOM 297 OE2 GLU A 19 -6.081 -26.848 -16.644 1.00 5.24 O ATOM 0 H GLU A 19 -5.306 -26.628 -11.663 1.00 34.10 H new ATOM 0 HA GLU A 19 -3.398 -26.016 -13.816 1.00 31.00 H new ATOM 0 HB2 GLU A 19 -6.111 -24.831 -13.389 1.00 13.52 H new ATOM 0 HB3 GLU A 19 -4.812 -23.704 -13.726 1.00 13.52 H new ATOM 0 HG2 GLU A 19 -5.540 -24.142 -15.865 1.00 43.32 H new ATOM 0 HG3 GLU A 19 -4.268 -25.339 -15.718 1.00 43.32 H new ATOM 304 N ILE A 20 -2.533 -23.976 -12.420 1.00 65.43 N ATOM 305 CA ILE A 20 -1.783 -23.161 -11.473 1.00 24.42 C ATOM 306 C ILE A 20 -1.487 -21.781 -12.049 1.00 11.32 C ATOM 307 O ILE A 20 -0.921 -21.658 -13.135 1.00 62.30 O ATOM 308 CB ILE A 20 -0.455 -23.835 -11.078 1.00 33.24 C ATOM 309 CG1 ILE A 20 -0.710 -25.259 -10.579 1.00 63.33 C ATOM 310 CG2 ILE A 20 0.259 -23.015 -10.013 1.00 75.42 C ATOM 311 CD1 ILE A 20 0.553 -26.001 -10.199 1.00 15.25 C ATOM 0 H ILE A 20 -2.306 -23.801 -13.399 1.00 65.43 H new ATOM 0 HA ILE A 20 -2.406 -23.056 -10.585 1.00 24.42 H new ATOM 0 HB ILE A 20 0.185 -23.887 -11.959 1.00 33.24 H new ATOM 0 HG12 ILE A 20 -1.373 -25.219 -9.714 1.00 63.33 H new ATOM 0 HG13 ILE A 20 -1.232 -25.819 -11.355 1.00 63.33 H new ATOM 0 HG21 ILE A 20 1.195 -23.504 -9.744 1.00 75.42 H new ATOM 0 HG22 ILE A 20 0.468 -22.018 -10.401 1.00 75.42 H new ATOM 0 HG23 ILE A 20 -0.375 -22.935 -9.130 1.00 75.42 H new ATOM 0 HD11 ILE A 20 0.297 -27.003 -9.855 1.00 15.25 H new ATOM 0 HD12 ILE A 20 1.208 -26.072 -11.067 1.00 15.25 H new ATOM 0 HD13 ILE A 20 1.065 -25.463 -9.401 1.00 15.25 H new ATOM 323 N ARG A 21 -1.873 -20.744 -11.313 1.00 2.44 N ATOM 324 CA ARG A 21 -1.649 -19.371 -11.750 1.00 4.12 C ATOM 325 C ARG A 21 -1.430 -18.448 -10.554 1.00 63.52 C ATOM 326 O ARG A 21 -1.928 -18.707 -9.459 1.00 32.14 O ATOM 327 CB ARG A 21 -2.836 -18.877 -12.578 1.00 40.42 C ATOM 328 CG ARG A 21 -2.715 -19.187 -14.061 1.00 72.02 C ATOM 329 CD ARG A 21 -1.750 -18.237 -14.752 1.00 41.24 C ATOM 330 NE ARG A 21 -0.397 -18.783 -14.818 1.00 51.02 N ATOM 331 CZ ARG A 21 -0.057 -19.814 -15.583 1.00 73.34 C ATOM 332 NH1 ARG A 21 -0.967 -20.408 -16.344 1.00 43.41 N ATOM 333 NH2 ARG A 21 1.195 -20.254 -15.589 1.00 12.30 N ATOM 0 H ARG A 21 -2.342 -20.828 -10.411 1.00 2.44 H new ATOM 0 HA ARG A 21 -0.751 -19.355 -12.368 1.00 4.12 H new ATOM 0 HB2 ARG A 21 -3.750 -19.330 -12.194 1.00 40.42 H new ATOM 0 HB3 ARG A 21 -2.936 -17.799 -12.448 1.00 40.42 H new ATOM 0 HG2 ARG A 21 -2.373 -20.214 -14.192 1.00 72.02 H new ATOM 0 HG3 ARG A 21 -3.696 -19.115 -14.530 1.00 72.02 H new ATOM 0 HD2 ARG A 21 -2.106 -18.029 -15.761 1.00 41.24 H new ATOM 0 HD3 ARG A 21 -1.732 -17.287 -14.218 1.00 41.24 H new ATOM 0 HE ARG A 21 0.327 -18.349 -14.245 1.00 51.02 H new ATOM 0 HH11 ARG A 21 -1.930 -20.073 -16.342 1.00 43.41 H new ATOM 0 HH12 ARG A 21 -0.703 -21.200 -16.931 1.00 43.41 H new ATOM 0 HH21 ARG A 21 1.898 -19.800 -15.005 1.00 12.30 H new ATOM 0 HH22 ARG A 21 1.454 -21.046 -16.177 1.00 12.30 H new ATOM 347 N ARG A 22 -0.681 -17.373 -10.773 1.00 1.52 N ATOM 348 CA ARG A 22 -0.394 -16.413 -9.713 1.00 55.23 C ATOM 349 C ARG A 22 -0.533 -14.982 -10.224 1.00 42.31 C ATOM 350 O ARG A 22 -0.449 -14.730 -11.426 1.00 52.44 O ATOM 351 CB ARG A 22 1.015 -16.635 -9.162 1.00 42.01 C ATOM 352 CG ARG A 22 2.101 -16.570 -10.223 1.00 43.43 C ATOM 353 CD ARG A 22 3.240 -17.529 -9.915 1.00 71.40 C ATOM 354 NE ARG A 22 4.090 -17.763 -11.080 1.00 14.33 N ATOM 355 CZ ARG A 22 5.252 -18.403 -11.025 1.00 31.42 C ATOM 356 NH1 ARG A 22 5.700 -18.873 -9.869 1.00 1.44 N ATOM 357 NH2 ARG A 22 5.968 -18.576 -12.128 1.00 62.43 N ATOM 0 H ARG A 22 -0.262 -17.144 -11.674 1.00 1.52 H new ATOM 0 HA ARG A 22 -1.117 -16.567 -8.912 1.00 55.23 H new ATOM 0 HB2 ARG A 22 1.220 -15.885 -8.398 1.00 42.01 H new ATOM 0 HB3 ARG A 22 1.055 -17.608 -8.672 1.00 42.01 H new ATOM 0 HG2 ARG A 22 1.675 -16.811 -11.197 1.00 43.43 H new ATOM 0 HG3 ARG A 22 2.488 -15.553 -10.287 1.00 43.43 H new ATOM 0 HD2 ARG A 22 3.843 -17.126 -9.102 1.00 71.40 H new ATOM 0 HD3 ARG A 22 2.831 -18.478 -9.568 1.00 71.40 H new ATOM 0 HE ARG A 22 3.773 -17.416 -11.985 1.00 14.33 H new ATOM 0 HH11 ARG A 22 5.152 -18.743 -9.019 1.00 1.44 H new ATOM 0 HH12 ARG A 22 6.593 -19.364 -9.830 1.00 1.44 H new ATOM 0 HH21 ARG A 22 5.626 -18.217 -13.019 1.00 62.43 H new ATOM 0 HH22 ARG A 22 6.861 -19.068 -12.085 1.00 62.43 H new ATOM 371 N PHE A 23 -0.745 -14.048 -9.303 1.00 14.03 N ATOM 372 CA PHE A 23 -0.897 -12.642 -9.660 1.00 20.24 C ATOM 373 C PHE A 23 -0.542 -11.741 -8.481 1.00 44.50 C ATOM 374 O PHE A 23 -0.364 -12.211 -7.357 1.00 52.43 O ATOM 375 CB PHE A 23 -2.330 -12.362 -10.117 1.00 1.21 C ATOM 376 CG PHE A 23 -3.346 -12.490 -9.018 1.00 3.31 C ATOM 377 CD1 PHE A 23 -3.870 -13.727 -8.682 1.00 73.40 C ATOM 378 CD2 PHE A 23 -3.776 -11.372 -8.320 1.00 64.44 C ATOM 379 CE1 PHE A 23 -4.806 -13.847 -7.672 1.00 23.53 C ATOM 380 CE2 PHE A 23 -4.711 -11.486 -7.309 1.00 24.42 C ATOM 381 CZ PHE A 23 -5.225 -12.726 -6.983 1.00 54.14 C ATOM 0 H PHE A 23 -0.815 -14.239 -8.304 1.00 14.03 H new ATOM 0 HA PHE A 23 -0.213 -12.425 -10.480 1.00 20.24 H new ATOM 0 HB2 PHE A 23 -2.380 -11.355 -10.532 1.00 1.21 H new ATOM 0 HB3 PHE A 23 -2.588 -13.051 -10.921 1.00 1.21 H new ATOM 0 HD1 PHE A 23 -3.544 -14.608 -9.215 1.00 73.40 H new ATOM 0 HD2 PHE A 23 -3.375 -10.401 -8.569 1.00 64.44 H new ATOM 0 HE1 PHE A 23 -5.209 -14.817 -7.422 1.00 23.53 H new ATOM 0 HE2 PHE A 23 -5.039 -10.607 -6.774 1.00 24.42 H new ATOM 0 HZ PHE A 23 -5.953 -12.819 -6.191 1.00 54.14 H new ATOM 391 N SER A 24 -0.439 -10.442 -8.747 1.00 21.22 N ATOM 392 CA SER A 24 -0.100 -9.474 -7.710 1.00 74.22 C ATOM 393 C SER A 24 -1.292 -9.225 -6.790 1.00 43.52 C ATOM 394 O SER A 24 -2.363 -8.816 -7.239 1.00 43.33 O ATOM 395 CB SER A 24 0.355 -8.157 -8.342 1.00 25.43 C ATOM 396 OG SER A 24 -0.752 -7.397 -8.792 1.00 74.32 O ATOM 0 H SER A 24 -0.585 -10.036 -9.671 1.00 21.22 H new ATOM 0 HA SER A 24 0.716 -9.885 -7.116 1.00 74.22 H new ATOM 0 HB2 SER A 24 0.925 -7.579 -7.615 1.00 25.43 H new ATOM 0 HB3 SER A 24 1.022 -8.363 -9.179 1.00 25.43 H new ATOM 0 HG SER A 24 -1.584 -7.849 -8.538 1.00 74.32 H new ATOM 402 N PHE A 25 -1.097 -9.474 -5.499 1.00 42.35 N ATOM 403 CA PHE A 25 -2.154 -9.277 -4.515 1.00 33.52 C ATOM 404 C PHE A 25 -1.734 -8.258 -3.461 1.00 4.43 C ATOM 405 O PHE A 25 -0.544 -8.069 -3.204 1.00 22.54 O ATOM 406 CB PHE A 25 -2.508 -10.606 -3.843 1.00 3.00 C ATOM 407 CG PHE A 25 -3.645 -10.501 -2.867 1.00 43.53 C ATOM 408 CD1 PHE A 25 -4.934 -10.252 -3.310 1.00 20.21 C ATOM 409 CD2 PHE A 25 -3.424 -10.650 -1.508 1.00 34.34 C ATOM 410 CE1 PHE A 25 -5.982 -10.154 -2.414 1.00 42.11 C ATOM 411 CE2 PHE A 25 -4.468 -10.554 -0.607 1.00 15.51 C ATOM 412 CZ PHE A 25 -5.749 -10.306 -1.061 1.00 70.01 C ATOM 0 H PHE A 25 -0.217 -9.813 -5.110 1.00 42.35 H new ATOM 0 HA PHE A 25 -3.032 -8.894 -5.035 1.00 33.52 H new ATOM 0 HB2 PHE A 25 -2.766 -11.335 -4.611 1.00 3.00 H new ATOM 0 HB3 PHE A 25 -1.628 -10.987 -3.324 1.00 3.00 H new ATOM 0 HD1 PHE A 25 -5.122 -10.133 -4.367 1.00 20.21 H new ATOM 0 HD2 PHE A 25 -2.424 -10.843 -1.148 1.00 34.34 H new ATOM 0 HE1 PHE A 25 -6.982 -9.959 -2.772 1.00 42.11 H new ATOM 0 HE2 PHE A 25 -4.282 -10.673 0.450 1.00 15.51 H new ATOM 0 HZ PHE A 25 -6.567 -10.231 -0.359 1.00 70.01 H new ATOM 598 N GLY A 40 -13.719 -7.055 0.889 1.00 52.35 N ATOM 599 CA GLY A 40 -12.632 -6.413 0.172 1.00 32.40 C ATOM 600 C GLY A 40 -11.735 -7.411 -0.534 1.00 12.30 C ATOM 601 O GLY A 40 -11.794 -7.577 -1.752 1.00 50.05 O ATOM 0 HA2 GLY A 40 -13.044 -5.718 -0.560 1.00 32.40 H new ATOM 0 HA3 GLY A 40 -12.037 -5.825 0.871 1.00 32.40 H new ATOM 605 N PRO A 41 -10.880 -8.094 0.240 1.00 25.52 N ATOM 606 CA PRO A 41 -9.949 -9.091 -0.297 1.00 61.43 C ATOM 607 C PRO A 41 -10.663 -10.347 -0.786 1.00 11.01 C ATOM 608 O PRO A 41 -10.234 -10.980 -1.751 1.00 74.43 O ATOM 609 CB PRO A 41 -9.050 -9.418 0.898 1.00 71.32 C ATOM 610 CG PRO A 41 -9.882 -9.106 2.094 1.00 62.52 C ATOM 611 CD PRO A 41 -10.755 -7.947 1.700 1.00 30.41 C ATOM 0 HA PRO A 41 -9.407 -8.716 -1.165 1.00 61.43 H new ATOM 0 HB2 PRO A 41 -8.745 -10.465 0.890 1.00 71.32 H new ATOM 0 HB3 PRO A 41 -8.138 -8.821 0.883 1.00 71.32 H new ATOM 0 HG2 PRO A 41 -10.484 -9.967 2.386 1.00 62.52 H new ATOM 0 HG3 PRO A 41 -9.256 -8.850 2.949 1.00 62.52 H new ATOM 0 HD2 PRO A 41 -11.726 -7.990 2.193 1.00 30.41 H new ATOM 0 HD3 PRO A 41 -10.302 -6.993 1.970 1.00 30.41 H new ATOM 619 N CYS A 42 -11.753 -10.701 -0.115 1.00 12.15 N ATOM 620 CA CYS A 42 -12.527 -11.882 -0.481 1.00 0.12 C ATOM 621 C CYS A 42 -13.119 -11.732 -1.878 1.00 62.25 C ATOM 622 O CYS A 42 -12.892 -12.569 -2.752 1.00 5.05 O ATOM 623 CB CYS A 42 -13.644 -12.121 0.536 1.00 22.03 C ATOM 624 SG CYS A 42 -14.766 -13.469 0.097 1.00 30.01 S ATOM 0 H CYS A 42 -12.121 -10.187 0.686 1.00 12.15 H new ATOM 0 HA CYS A 42 -11.855 -12.741 -0.481 1.00 0.12 H new ATOM 0 HB2 CYS A 42 -13.197 -12.336 1.507 1.00 22.03 H new ATOM 0 HB3 CYS A 42 -14.222 -11.203 0.647 1.00 22.03 H new ATOM 0 HG CYS A 42 -15.948 -13.225 0.581 1.00 30.01 H new ATOM 630 N GLU A 43 -13.880 -10.661 -2.082 1.00 31.54 N ATOM 631 CA GLU A 43 -14.507 -10.404 -3.373 1.00 64.40 C ATOM 632 C GLU A 43 -13.457 -10.077 -4.431 1.00 71.45 C ATOM 633 O GLU A 43 -13.675 -10.292 -5.624 1.00 22.41 O ATOM 634 CB GLU A 43 -15.508 -9.253 -3.259 1.00 3.20 C ATOM 635 CG GLU A 43 -16.041 -8.775 -4.599 1.00 50.01 C ATOM 636 CD GLU A 43 -16.832 -9.844 -5.327 1.00 61.42 C ATOM 637 OE1 GLU A 43 -16.213 -10.640 -6.065 1.00 31.13 O ATOM 638 OE2 GLU A 43 -18.069 -9.886 -5.160 1.00 4.20 O ATOM 0 H GLU A 43 -14.077 -9.958 -1.370 1.00 31.54 H new ATOM 0 HA GLU A 43 -15.037 -11.307 -3.678 1.00 64.40 H new ATOM 0 HB2 GLU A 43 -16.345 -9.571 -2.637 1.00 3.20 H new ATOM 0 HB3 GLU A 43 -15.031 -8.417 -2.748 1.00 3.20 H new ATOM 0 HG2 GLU A 43 -16.675 -7.902 -4.443 1.00 50.01 H new ATOM 0 HG3 GLU A 43 -15.207 -8.456 -5.225 1.00 50.01 H new ATOM 645 N ARG A 44 -12.319 -9.556 -3.986 1.00 64.01 N ATOM 646 CA ARG A 44 -11.236 -9.197 -4.894 1.00 62.41 C ATOM 647 C ARG A 44 -10.523 -10.444 -5.410 1.00 34.31 C ATOM 648 O ARG A 44 -10.358 -10.623 -6.617 1.00 70.24 O ATOM 649 CB ARG A 44 -10.235 -8.279 -4.190 1.00 64.35 C ATOM 650 CG ARG A 44 -10.573 -6.803 -4.312 1.00 1.51 C ATOM 651 CD ARG A 44 -9.917 -6.179 -5.534 1.00 60.53 C ATOM 652 NE ARG A 44 -8.590 -5.648 -5.233 1.00 34.33 N ATOM 653 CZ ARG A 44 -7.949 -4.787 -6.014 1.00 3.20 C ATOM 654 NH1 ARG A 44 -8.509 -4.361 -7.138 1.00 32.04 N ATOM 655 NH2 ARG A 44 -6.744 -4.349 -5.672 1.00 2.14 N ATOM 0 H ARG A 44 -12.123 -9.373 -3.002 1.00 64.01 H new ATOM 0 HA ARG A 44 -11.668 -8.669 -5.744 1.00 62.41 H new ATOM 0 HB2 ARG A 44 -10.190 -8.547 -3.134 1.00 64.35 H new ATOM 0 HB3 ARG A 44 -9.242 -8.451 -4.606 1.00 64.35 H new ATOM 0 HG2 ARG A 44 -11.654 -6.681 -4.376 1.00 1.51 H new ATOM 0 HG3 ARG A 44 -10.245 -6.278 -3.414 1.00 1.51 H new ATOM 0 HD2 ARG A 44 -9.838 -6.926 -6.324 1.00 60.53 H new ATOM 0 HD3 ARG A 44 -10.550 -5.378 -5.916 1.00 60.53 H new ATOM 0 HE ARG A 44 -8.131 -5.956 -4.376 1.00 34.33 H new ATOM 0 HH11 ARG A 44 -9.435 -4.695 -7.405 1.00 32.04 H new ATOM 0 HH12 ARG A 44 -8.014 -3.699 -7.736 1.00 32.04 H new ATOM 0 HH21 ARG A 44 -6.309 -4.674 -4.808 1.00 2.14 H new ATOM 0 HH22 ARG A 44 -6.252 -3.687 -6.273 1.00 2.14 H new ATOM 669 N LEU A 45 -10.103 -11.303 -4.488 1.00 32.22 N ATOM 670 CA LEU A 45 -9.408 -12.534 -4.849 1.00 2.23 C ATOM 671 C LEU A 45 -10.327 -13.470 -5.627 1.00 24.32 C ATOM 672 O LEU A 45 -9.968 -13.960 -6.699 1.00 30.35 O ATOM 673 CB LEU A 45 -8.889 -13.237 -3.593 1.00 50.21 C ATOM 674 CG LEU A 45 -8.534 -14.716 -3.750 1.00 15.10 C ATOM 675 CD1 LEU A 45 -7.500 -14.903 -4.849 1.00 24.15 C ATOM 676 CD2 LEU A 45 -8.026 -15.285 -2.433 1.00 73.14 C ATOM 0 H LEU A 45 -10.231 -11.170 -3.485 1.00 32.22 H new ATOM 0 HA LEU A 45 -8.563 -12.272 -5.486 1.00 2.23 H new ATOM 0 HB2 LEU A 45 -8.003 -12.706 -3.244 1.00 50.21 H new ATOM 0 HB3 LEU A 45 -9.644 -13.146 -2.812 1.00 50.21 H new ATOM 0 HG LEU A 45 -9.436 -15.259 -4.033 1.00 15.10 H new ATOM 0 HD11 LEU A 45 -7.260 -15.962 -4.946 1.00 24.15 H new ATOM 0 HD12 LEU A 45 -7.901 -14.534 -5.793 1.00 24.15 H new ATOM 0 HD13 LEU A 45 -6.597 -14.348 -4.597 1.00 24.15 H new ATOM 0 HD21 LEU A 45 -7.778 -16.338 -2.563 1.00 73.14 H new ATOM 0 HD22 LEU A 45 -7.136 -14.739 -2.120 1.00 73.14 H new ATOM 0 HD23 LEU A 45 -8.799 -15.186 -1.671 1.00 73.14 H new ATOM 688 N LEU A 46 -11.513 -13.713 -5.082 1.00 75.50 N ATOM 689 CA LEU A 46 -12.486 -14.590 -5.726 1.00 41.31 C ATOM 690 C LEU A 46 -12.820 -14.094 -7.129 1.00 62.25 C ATOM 691 O LEU A 46 -13.265 -14.864 -7.981 1.00 13.23 O ATOM 692 CB LEU A 46 -13.761 -14.674 -4.886 1.00 13.23 C ATOM 693 CG LEU A 46 -13.636 -15.402 -3.547 1.00 11.42 C ATOM 694 CD1 LEU A 46 -14.981 -15.451 -2.838 1.00 42.22 C ATOM 695 CD2 LEU A 46 -13.088 -16.806 -3.753 1.00 21.25 C ATOM 0 H LEU A 46 -11.825 -13.316 -4.196 1.00 75.50 H new ATOM 0 HA LEU A 46 -12.045 -15.584 -5.807 1.00 41.31 H new ATOM 0 HB2 LEU A 46 -14.113 -13.660 -4.694 1.00 13.23 H new ATOM 0 HB3 LEU A 46 -14.530 -15.172 -5.477 1.00 13.23 H new ATOM 0 HG LEU A 46 -12.938 -14.849 -2.919 1.00 11.42 H new ATOM 0 HD11 LEU A 46 -14.872 -15.973 -1.887 1.00 42.22 H new ATOM 0 HD12 LEU A 46 -15.334 -14.436 -2.657 1.00 42.22 H new ATOM 0 HD13 LEU A 46 -15.702 -15.980 -3.462 1.00 42.22 H new ATOM 0 HD21 LEU A 46 -13.006 -17.309 -2.790 1.00 21.25 H new ATOM 0 HD22 LEU A 46 -13.762 -17.368 -4.400 1.00 21.25 H new ATOM 0 HD23 LEU A 46 -12.104 -16.748 -4.217 1.00 21.25 H new ATOM 707 N SER A 47 -12.599 -12.805 -7.364 1.00 54.42 N ATOM 708 CA SER A 47 -12.878 -12.206 -8.664 1.00 53.32 C ATOM 709 C SER A 47 -11.852 -12.654 -9.700 1.00 74.34 C ATOM 710 O SER A 47 -12.209 -13.082 -10.798 1.00 71.23 O ATOM 711 CB SER A 47 -12.878 -10.680 -8.557 1.00 2.51 C ATOM 712 OG SER A 47 -14.198 -10.165 -8.597 1.00 24.01 O ATOM 0 H SER A 47 -12.228 -12.155 -6.671 1.00 54.42 H new ATOM 0 HA SER A 47 -13.864 -12.541 -8.986 1.00 53.32 H new ATOM 0 HB2 SER A 47 -12.395 -10.378 -7.628 1.00 2.51 H new ATOM 0 HB3 SER A 47 -12.294 -10.255 -9.373 1.00 2.51 H new ATOM 0 HG SER A 47 -14.519 -10.017 -7.683 1.00 24.01 H new ATOM 718 N ARG A 48 -10.576 -12.553 -9.343 1.00 14.11 N ATOM 719 CA ARG A 48 -9.498 -12.947 -10.241 1.00 44.51 C ATOM 720 C ARG A 48 -9.524 -14.451 -10.496 1.00 3.24 C ATOM 721 O ARG A 48 -9.479 -14.898 -11.642 1.00 21.24 O ATOM 722 CB ARG A 48 -8.144 -12.541 -9.655 1.00 41.03 C ATOM 723 CG ARG A 48 -8.132 -11.143 -9.059 1.00 54.23 C ATOM 724 CD ARG A 48 -8.655 -10.112 -10.047 1.00 51.23 C ATOM 725 NE ARG A 48 -7.953 -8.837 -9.931 1.00 1.45 N ATOM 726 CZ ARG A 48 -8.157 -7.808 -10.746 1.00 0.23 C ATOM 727 NH1 ARG A 48 -9.038 -7.904 -11.732 1.00 13.34 N ATOM 728 NH2 ARG A 48 -7.479 -6.680 -10.575 1.00 51.02 N ATOM 0 H ARG A 48 -10.264 -12.202 -8.438 1.00 14.11 H new ATOM 0 HA ARG A 48 -9.644 -12.433 -11.191 1.00 44.51 H new ATOM 0 HB2 ARG A 48 -7.862 -13.258 -8.884 1.00 41.03 H new ATOM 0 HB3 ARG A 48 -7.387 -12.600 -10.437 1.00 41.03 H new ATOM 0 HG2 ARG A 48 -8.743 -11.126 -8.156 1.00 54.23 H new ATOM 0 HG3 ARG A 48 -7.116 -10.882 -8.762 1.00 54.23 H new ATOM 0 HD2 ARG A 48 -8.546 -10.495 -11.062 1.00 51.23 H new ATOM 0 HD3 ARG A 48 -9.720 -9.956 -9.878 1.00 51.23 H new ATOM 0 HE ARG A 48 -7.268 -8.731 -9.183 1.00 1.45 H new ATOM 0 HH11 ARG A 48 -9.561 -8.769 -11.866 1.00 13.34 H new ATOM 0 HH12 ARG A 48 -9.193 -7.112 -12.356 1.00 13.34 H new ATOM 0 HH21 ARG A 48 -6.801 -6.603 -9.817 1.00 51.02 H new ATOM 0 HH22 ARG A 48 -7.636 -5.890 -11.201 1.00 51.02 H new ATOM 742 N VAL A 49 -9.596 -15.227 -9.419 1.00 0.13 N ATOM 743 CA VAL A 49 -9.629 -16.681 -9.525 1.00 4.42 C ATOM 744 C VAL A 49 -10.683 -17.135 -10.528 1.00 44.13 C ATOM 745 O VAL A 49 -10.518 -18.154 -11.199 1.00 2.34 O ATOM 746 CB VAL A 49 -9.917 -17.337 -8.161 1.00 52.45 C ATOM 747 CG1 VAL A 49 -9.911 -18.853 -8.286 1.00 53.51 C ATOM 748 CG2 VAL A 49 -8.905 -16.875 -7.124 1.00 12.23 C ATOM 0 H VAL A 49 -9.633 -14.873 -8.463 1.00 0.13 H new ATOM 0 HA VAL A 49 -8.644 -16.996 -9.870 1.00 4.42 H new ATOM 0 HB VAL A 49 -10.909 -17.028 -7.830 1.00 52.45 H new ATOM 0 HG11 VAL A 49 -10.116 -19.299 -7.313 1.00 53.51 H new ATOM 0 HG12 VAL A 49 -10.678 -19.163 -8.996 1.00 53.51 H new ATOM 0 HG13 VAL A 49 -8.935 -19.185 -8.639 1.00 53.51 H new ATOM 0 HG21 VAL A 49 -9.123 -17.348 -6.167 1.00 12.23 H new ATOM 0 HG22 VAL A 49 -7.901 -17.153 -7.446 1.00 12.23 H new ATOM 0 HG23 VAL A 49 -8.964 -15.792 -7.015 1.00 12.23 H new ATOM 758 N ALA A 50 -11.766 -16.371 -10.627 1.00 30.55 N ATOM 759 CA ALA A 50 -12.846 -16.694 -11.550 1.00 55.12 C ATOM 760 C ALA A 50 -12.404 -16.511 -12.998 1.00 62.50 C ATOM 761 O ALA A 50 -12.557 -17.412 -13.823 1.00 31.41 O ATOM 762 CB ALA A 50 -14.066 -15.833 -11.257 1.00 33.12 C ATOM 0 H ALA A 50 -11.918 -15.524 -10.079 1.00 30.55 H new ATOM 0 HA ALA A 50 -13.111 -17.742 -11.407 1.00 55.12 H new ATOM 0 HB1 ALA A 50 -14.865 -16.085 -11.954 1.00 33.12 H new ATOM 0 HB2 ALA A 50 -14.404 -16.015 -10.237 1.00 33.12 H new ATOM 0 HB3 ALA A 50 -13.804 -14.781 -11.370 1.00 33.12 H new ATOM 768 N VAL A 51 -11.855 -15.339 -13.301 1.00 25.41 N ATOM 769 CA VAL A 51 -11.389 -15.039 -14.650 1.00 12.04 C ATOM 770 C VAL A 51 -10.131 -15.832 -14.986 1.00 52.32 C ATOM 771 O VAL A 51 -9.799 -16.023 -16.157 1.00 34.21 O ATOM 772 CB VAL A 51 -11.097 -13.536 -14.821 1.00 30.43 C ATOM 773 CG1 VAL A 51 -10.121 -13.057 -13.757 1.00 61.50 C ATOM 774 CG2 VAL A 51 -10.559 -13.254 -16.215 1.00 72.14 C ATOM 0 H VAL A 51 -11.722 -14.582 -12.631 1.00 25.41 H new ATOM 0 HA VAL A 51 -12.189 -15.326 -15.333 1.00 12.04 H new ATOM 0 HB VAL A 51 -12.030 -12.986 -14.698 1.00 30.43 H new ATOM 0 HG11 VAL A 51 -9.927 -11.993 -13.894 1.00 61.50 H new ATOM 0 HG12 VAL A 51 -10.550 -13.223 -12.769 1.00 61.50 H new ATOM 0 HG13 VAL A 51 -9.186 -13.611 -13.845 1.00 61.50 H new ATOM 0 HG21 VAL A 51 -10.358 -12.188 -16.319 1.00 72.14 H new ATOM 0 HG22 VAL A 51 -9.636 -13.814 -16.369 1.00 72.14 H new ATOM 0 HG23 VAL A 51 -11.296 -13.558 -16.958 1.00 72.14 H new ATOM 784 N LEU A 52 -9.434 -16.291 -13.953 1.00 72.30 N ATOM 785 CA LEU A 52 -8.211 -17.065 -14.138 1.00 75.14 C ATOM 786 C LEU A 52 -8.525 -18.550 -14.293 1.00 2.21 C ATOM 787 O LEU A 52 -7.819 -19.274 -14.995 1.00 24.35 O ATOM 788 CB LEU A 52 -7.266 -16.852 -12.955 1.00 65.23 C ATOM 789 CG LEU A 52 -6.728 -15.433 -12.773 1.00 4.51 C ATOM 790 CD1 LEU A 52 -6.073 -15.281 -11.409 1.00 4.01 C ATOM 791 CD2 LEU A 52 -5.743 -15.089 -13.881 1.00 24.02 C ATOM 0 H LEU A 52 -9.694 -16.141 -12.978 1.00 72.30 H new ATOM 0 HA LEU A 52 -7.725 -16.719 -15.050 1.00 75.14 H new ATOM 0 HB2 LEU A 52 -7.788 -17.141 -12.043 1.00 65.23 H new ATOM 0 HB3 LEU A 52 -6.419 -17.529 -13.066 1.00 65.23 H new ATOM 0 HG LEU A 52 -7.566 -14.738 -12.830 1.00 4.51 H new ATOM 0 HD11 LEU A 52 -5.696 -14.264 -11.298 1.00 4.01 H new ATOM 0 HD12 LEU A 52 -6.806 -15.484 -10.629 1.00 4.01 H new ATOM 0 HD13 LEU A 52 -5.246 -15.986 -11.322 1.00 4.01 H new ATOM 0 HD21 LEU A 52 -5.371 -14.075 -13.735 1.00 24.02 H new ATOM 0 HD22 LEU A 52 -4.908 -15.789 -13.856 1.00 24.02 H new ATOM 0 HD23 LEU A 52 -6.244 -15.156 -14.847 1.00 24.02 H new ATOM 803 N PHE A 53 -9.589 -18.996 -13.635 1.00 34.33 N ATOM 804 CA PHE A 53 -9.997 -20.395 -13.700 1.00 15.32 C ATOM 805 C PHE A 53 -11.395 -20.526 -14.298 1.00 32.24 C ATOM 806 O PHE A 53 -12.368 -20.828 -13.606 1.00 0.22 O ATOM 807 CB PHE A 53 -9.966 -21.023 -12.305 1.00 10.32 C ATOM 808 CG PHE A 53 -8.581 -21.163 -11.742 1.00 3.13 C ATOM 809 CD1 PHE A 53 -7.768 -22.219 -12.122 1.00 3.41 C ATOM 810 CD2 PHE A 53 -8.091 -20.239 -10.833 1.00 12.03 C ATOM 811 CE1 PHE A 53 -6.493 -22.350 -11.604 1.00 61.35 C ATOM 812 CE2 PHE A 53 -6.817 -20.365 -10.312 1.00 60.32 C ATOM 813 CZ PHE A 53 -6.016 -21.422 -10.700 1.00 15.14 C ATOM 0 H PHE A 53 -10.185 -18.410 -13.051 1.00 34.33 H new ATOM 0 HA PHE A 53 -9.294 -20.923 -14.344 1.00 15.32 H new ATOM 0 HB2 PHE A 53 -10.565 -20.414 -11.628 1.00 10.32 H new ATOM 0 HB3 PHE A 53 -10.434 -22.007 -12.348 1.00 10.32 H new ATOM 0 HD1 PHE A 53 -8.134 -22.947 -12.830 1.00 3.41 H new ATOM 0 HD2 PHE A 53 -8.712 -19.410 -10.528 1.00 12.03 H new ATOM 0 HE1 PHE A 53 -5.870 -23.179 -11.907 1.00 61.35 H new ATOM 0 HE2 PHE A 53 -6.448 -19.639 -9.603 1.00 60.32 H new ATOM 0 HZ PHE A 53 -5.019 -21.522 -10.297 1.00 15.14 H new ATOM 823 N PRO A 54 -11.499 -20.294 -15.615 1.00 12.25 N ATOM 824 CA PRO A 54 -12.773 -20.380 -16.335 1.00 44.15 C ATOM 825 C PRO A 54 -13.279 -21.814 -16.449 1.00 44.11 C ATOM 826 O PRO A 54 -14.403 -22.052 -16.889 1.00 20.22 O ATOM 827 CB PRO A 54 -12.435 -19.821 -17.720 1.00 10.32 C ATOM 828 CG PRO A 54 -10.973 -20.058 -17.878 1.00 2.22 C ATOM 829 CD PRO A 54 -10.381 -19.930 -16.501 1.00 54.33 C ATOM 0 HA PRO A 54 -13.568 -19.838 -15.823 1.00 44.15 H new ATOM 0 HB2 PRO A 54 -13.004 -20.326 -18.500 1.00 10.32 H new ATOM 0 HB3 PRO A 54 -12.673 -18.760 -17.787 1.00 10.32 H new ATOM 0 HG2 PRO A 54 -10.781 -21.047 -18.295 1.00 2.22 H new ATOM 0 HG3 PRO A 54 -10.532 -19.333 -18.561 1.00 2.22 H new ATOM 0 HD2 PRO A 54 -9.528 -20.596 -16.367 1.00 54.33 H new ATOM 0 HD3 PRO A 54 -10.028 -18.917 -16.308 1.00 54.33 H new ATOM 837 N ALA A 55 -12.441 -22.765 -16.049 1.00 73.44 N ATOM 838 CA ALA A 55 -12.805 -24.176 -16.104 1.00 53.33 C ATOM 839 C ALA A 55 -14.094 -24.441 -15.333 1.00 3.42 C ATOM 840 O ALA A 55 -14.807 -25.407 -15.607 1.00 45.15 O ATOM 841 CB ALA A 55 -11.674 -25.034 -15.558 1.00 34.45 C ATOM 0 H ALA A 55 -11.506 -22.584 -15.684 1.00 73.44 H new ATOM 0 HA ALA A 55 -12.976 -24.442 -17.147 1.00 53.33 H new ATOM 0 HB1 ALA A 55 -11.959 -26.085 -15.605 1.00 34.45 H new ATOM 0 HB2 ALA A 55 -10.776 -24.875 -16.155 1.00 34.45 H new ATOM 0 HB3 ALA A 55 -11.475 -24.758 -14.522 1.00 34.45 H new ATOM 847 N LEU A 56 -14.387 -23.578 -14.366 1.00 42.22 N ATOM 848 CA LEU A 56 -15.590 -23.719 -13.554 1.00 11.14 C ATOM 849 C LEU A 56 -16.446 -22.458 -13.625 1.00 32.52 C ATOM 850 O LEU A 56 -16.123 -21.516 -14.348 1.00 65.53 O ATOM 851 CB LEU A 56 -15.216 -24.014 -12.100 1.00 10.30 C ATOM 852 CG LEU A 56 -14.108 -23.145 -11.503 1.00 34.04 C ATOM 853 CD1 LEU A 56 -14.555 -22.548 -10.177 1.00 25.43 C ATOM 854 CD2 LEU A 56 -12.833 -23.956 -11.323 1.00 13.24 C ATOM 0 H LEU A 56 -13.808 -22.774 -14.126 1.00 42.22 H new ATOM 0 HA LEU A 56 -16.170 -24.553 -13.950 1.00 11.14 H new ATOM 0 HB2 LEU A 56 -16.109 -23.901 -11.486 1.00 10.30 H new ATOM 0 HB3 LEU A 56 -14.910 -25.058 -12.029 1.00 10.30 H new ATOM 0 HG LEU A 56 -13.900 -22.328 -12.194 1.00 34.04 H new ATOM 0 HD11 LEU A 56 -13.754 -21.933 -9.767 1.00 25.43 H new ATOM 0 HD12 LEU A 56 -15.441 -21.933 -10.335 1.00 25.43 H new ATOM 0 HD13 LEU A 56 -14.791 -23.350 -9.478 1.00 25.43 H new ATOM 0 HD21 LEU A 56 -12.055 -23.322 -10.897 1.00 13.24 H new ATOM 0 HD22 LEU A 56 -13.026 -24.793 -10.652 1.00 13.24 H new ATOM 0 HD23 LEU A 56 -12.503 -24.335 -12.290 1.00 13.24 H new ATOM 866 N ARG A 57 -17.538 -22.448 -12.868 1.00 15.32 N ATOM 867 CA ARG A 57 -18.441 -21.303 -12.844 1.00 45.43 C ATOM 868 C ARG A 57 -17.710 -20.045 -12.383 1.00 52.43 C ATOM 869 O ARG A 57 -16.688 -20.106 -11.699 1.00 54.12 O ATOM 870 CB ARG A 57 -19.629 -21.582 -11.923 1.00 14.31 C ATOM 871 CG ARG A 57 -20.636 -22.559 -12.507 1.00 55.21 C ATOM 872 CD ARG A 57 -21.875 -22.672 -11.632 1.00 21.21 C ATOM 873 NE ARG A 57 -22.398 -24.035 -11.598 1.00 20.33 N ATOM 874 CZ ARG A 57 -23.056 -24.596 -12.607 1.00 4.43 C ATOM 875 NH1 ARG A 57 -23.269 -23.913 -13.723 1.00 71.55 N ATOM 876 NH2 ARG A 57 -23.501 -25.841 -12.500 1.00 62.00 N ATOM 0 H ARG A 57 -17.819 -23.220 -12.263 1.00 15.32 H new ATOM 0 HA ARG A 57 -18.807 -21.139 -13.857 1.00 45.43 H new ATOM 0 HB2 ARG A 57 -19.259 -21.977 -10.977 1.00 14.31 H new ATOM 0 HB3 ARG A 57 -20.134 -20.642 -11.701 1.00 14.31 H new ATOM 0 HG2 ARG A 57 -20.924 -22.233 -13.506 1.00 55.21 H new ATOM 0 HG3 ARG A 57 -20.173 -23.540 -12.613 1.00 55.21 H new ATOM 0 HD2 ARG A 57 -21.634 -22.351 -10.619 1.00 21.21 H new ATOM 0 HD3 ARG A 57 -22.645 -21.997 -12.005 1.00 21.21 H new ATOM 0 HE ARG A 57 -22.250 -24.587 -10.753 1.00 20.33 H new ATOM 0 HH11 ARG A 57 -22.928 -22.956 -13.808 1.00 71.55 H new ATOM 0 HH12 ARG A 57 -23.774 -24.345 -14.497 1.00 71.55 H new ATOM 0 HH21 ARG A 57 -23.338 -26.369 -11.642 1.00 62.00 H new ATOM 0 HH22 ARG A 57 -24.006 -26.270 -13.275 1.00 62.00 H new ATOM 890 N PRO A 58 -18.245 -18.876 -12.766 1.00 51.32 N ATOM 891 CA PRO A 58 -17.661 -17.581 -12.404 1.00 23.25 C ATOM 892 C PRO A 58 -17.809 -17.274 -10.917 1.00 71.23 C ATOM 893 O PRO A 58 -16.845 -16.897 -10.252 1.00 54.01 O ATOM 894 CB PRO A 58 -18.465 -16.582 -13.239 1.00 33.31 C ATOM 895 CG PRO A 58 -19.769 -17.259 -13.486 1.00 52.03 C ATOM 896 CD PRO A 58 -19.462 -18.728 -13.582 1.00 42.23 C ATOM 0 HA PRO A 58 -16.588 -17.550 -12.595 1.00 23.25 H new ATOM 0 HB2 PRO A 58 -18.602 -15.641 -12.707 1.00 33.31 H new ATOM 0 HB3 PRO A 58 -17.957 -16.348 -14.174 1.00 33.31 H new ATOM 0 HG2 PRO A 58 -20.472 -17.059 -12.677 1.00 52.03 H new ATOM 0 HG3 PRO A 58 -20.229 -16.896 -14.405 1.00 52.03 H new ATOM 0 HD2 PRO A 58 -20.281 -19.336 -13.197 1.00 42.23 H new ATOM 0 HD3 PRO A 58 -19.294 -19.037 -14.614 1.00 42.23 H new ATOM 904 N GLY A 59 -19.024 -17.439 -10.402 1.00 3.11 N ATOM 905 CA GLY A 59 -19.275 -17.175 -8.997 1.00 75.12 C ATOM 906 C GLY A 59 -19.878 -18.368 -8.282 1.00 53.02 C ATOM 907 O GLY A 59 -20.923 -18.254 -7.642 1.00 25.21 O ATOM 0 H GLY A 59 -19.838 -17.750 -10.932 1.00 3.11 H new ATOM 0 HA2 GLY A 59 -18.340 -16.898 -8.510 1.00 75.12 H new ATOM 0 HA3 GLY A 59 -19.948 -16.322 -8.905 1.00 75.12 H new ATOM 911 N GLY A 60 -19.219 -19.518 -8.393 1.00 11.54 N ATOM 912 CA GLY A 60 -19.712 -20.720 -7.748 1.00 34.42 C ATOM 913 C GLY A 60 -18.593 -21.631 -7.286 1.00 25.52 C ATOM 914 O GLY A 60 -18.556 -22.810 -7.639 1.00 22.41 O ATOM 0 H GLY A 60 -18.353 -19.638 -8.918 1.00 11.54 H new ATOM 0 HA2 GLY A 60 -20.327 -20.443 -6.892 1.00 34.42 H new ATOM 0 HA3 GLY A 60 -20.355 -21.263 -8.441 1.00 34.42 H new ATOM 918 N PHE A 61 -17.675 -21.085 -6.495 1.00 51.30 N ATOM 919 CA PHE A 61 -16.547 -21.856 -5.986 1.00 42.31 C ATOM 920 C PHE A 61 -16.116 -21.348 -4.613 1.00 35.21 C ATOM 921 O PHE A 61 -16.335 -20.186 -4.274 1.00 3.52 O ATOM 922 CB PHE A 61 -15.370 -21.782 -6.961 1.00 51.13 C ATOM 923 CG PHE A 61 -14.656 -20.461 -6.940 1.00 40.32 C ATOM 924 CD1 PHE A 61 -15.150 -19.380 -7.652 1.00 51.31 C ATOM 925 CD2 PHE A 61 -13.490 -20.300 -6.209 1.00 31.12 C ATOM 926 CE1 PHE A 61 -14.496 -18.162 -7.635 1.00 25.35 C ATOM 927 CE2 PHE A 61 -12.832 -19.085 -6.187 1.00 64.21 C ATOM 928 CZ PHE A 61 -13.334 -18.015 -6.902 1.00 31.42 C ATOM 0 H PHE A 61 -17.690 -20.111 -6.193 1.00 51.30 H new ATOM 0 HA PHE A 61 -16.864 -22.894 -5.887 1.00 42.31 H new ATOM 0 HB2 PHE A 61 -14.660 -22.574 -6.721 1.00 51.13 H new ATOM 0 HB3 PHE A 61 -15.733 -21.974 -7.971 1.00 51.13 H new ATOM 0 HD1 PHE A 61 -16.057 -19.490 -8.227 1.00 51.31 H new ATOM 0 HD2 PHE A 61 -13.091 -21.133 -5.650 1.00 31.12 H new ATOM 0 HE1 PHE A 61 -14.893 -17.327 -8.194 1.00 25.35 H new ATOM 0 HE2 PHE A 61 -11.925 -18.972 -5.611 1.00 64.21 H new ATOM 0 HZ PHE A 61 -12.819 -17.066 -6.888 1.00 31.42 H new ATOM 938 N GLN A 62 -15.505 -22.229 -3.828 1.00 62.41 N ATOM 939 CA GLN A 62 -15.045 -21.871 -2.491 1.00 71.25 C ATOM 940 C GLN A 62 -13.537 -22.063 -2.365 1.00 34.33 C ATOM 941 O GLN A 62 -12.992 -23.076 -2.802 1.00 50.14 O ATOM 942 CB GLN A 62 -15.769 -22.712 -1.438 1.00 44.11 C ATOM 943 CG GLN A 62 -16.901 -21.973 -0.743 1.00 24.14 C ATOM 944 CD GLN A 62 -16.452 -20.660 -0.132 1.00 52.11 C ATOM 945 OE1 GLN A 62 -17.123 -19.637 -0.271 1.00 0.45 O ATOM 946 NE2 GLN A 62 -15.312 -20.682 0.549 1.00 53.24 N ATOM 0 H GLN A 62 -15.317 -23.196 -4.094 1.00 62.41 H new ATOM 0 HA GLN A 62 -15.274 -20.818 -2.324 1.00 71.25 H new ATOM 0 HB2 GLN A 62 -16.169 -23.608 -1.913 1.00 44.11 H new ATOM 0 HB3 GLN A 62 -15.048 -23.042 -0.690 1.00 44.11 H new ATOM 0 HG2 GLN A 62 -17.699 -21.782 -1.460 1.00 24.14 H new ATOM 0 HG3 GLN A 62 -17.319 -22.608 0.038 1.00 24.14 H new ATOM 0 HE21 GLN A 62 -14.788 -21.553 0.639 1.00 53.24 H new ATOM 0 HE22 GLN A 62 -14.960 -19.828 0.982 1.00 53.24 H new ATOM 955 N ALA A 63 -12.870 -21.084 -1.763 1.00 63.24 N ATOM 956 CA ALA A 63 -11.425 -21.146 -1.578 1.00 33.53 C ATOM 957 C ALA A 63 -11.072 -21.574 -0.157 1.00 74.32 C ATOM 958 O ALA A 63 -11.547 -20.986 0.815 1.00 33.41 O ATOM 959 CB ALA A 63 -10.793 -19.800 -1.898 1.00 14.12 C ATOM 0 H ALA A 63 -13.307 -20.239 -1.395 1.00 63.24 H new ATOM 0 HA ALA A 63 -11.027 -21.893 -2.265 1.00 33.53 H new ATOM 0 HB1 ALA A 63 -9.714 -19.862 -1.755 1.00 14.12 H new ATOM 0 HB2 ALA A 63 -11.008 -19.534 -2.933 1.00 14.12 H new ATOM 0 HB3 ALA A 63 -11.204 -19.038 -1.235 1.00 14.12 H new ATOM 965 N HIS A 64 -10.237 -22.602 -0.044 1.00 2.12 N ATOM 966 CA HIS A 64 -9.820 -23.109 1.259 1.00 14.50 C ATOM 967 C HIS A 64 -8.365 -22.748 1.542 1.00 32.23 C ATOM 968 O HIS A 64 -7.496 -22.916 0.687 1.00 62.33 O ATOM 969 CB HIS A 64 -10.004 -24.625 1.322 1.00 31.15 C ATOM 970 CG HIS A 64 -11.399 -25.073 1.010 1.00 24.11 C ATOM 971 ND1 HIS A 64 -11.949 -24.996 -0.252 1.00 22.50 N ATOM 972 CD2 HIS A 64 -12.356 -25.607 1.804 1.00 22.14 C ATOM 973 CE1 HIS A 64 -13.185 -25.462 -0.220 1.00 63.21 C ATOM 974 NE2 HIS A 64 -13.456 -25.840 1.016 1.00 1.32 N ATOM 0 H HIS A 64 -9.836 -23.100 -0.838 1.00 2.12 H new ATOM 0 HA HIS A 64 -10.446 -22.643 2.020 1.00 14.50 H new ATOM 0 HB2 HIS A 64 -9.315 -25.096 0.621 1.00 31.15 H new ATOM 0 HB3 HIS A 64 -9.733 -24.974 2.318 1.00 31.15 H new ATOM 0 HD2 HIS A 64 -12.270 -25.812 2.861 1.00 22.14 H new ATOM 0 HE1 HIS A 64 -13.859 -25.523 -1.062 1.00 63.21 H new ATOM 0 HE2 HIS A 64 -14.339 -26.240 1.334 1.00 1.32 H new ATOM 982 N TYR A 65 -8.108 -22.251 2.747 1.00 64.50 N ATOM 983 CA TYR A 65 -6.758 -21.864 3.142 1.00 74.34 C ATOM 984 C TYR A 65 -6.243 -22.756 4.267 1.00 21.10 C ATOM 985 O TYR A 65 -6.996 -23.147 5.159 1.00 12.31 O ATOM 986 CB TYR A 65 -6.734 -20.400 3.584 1.00 33.32 C ATOM 987 CG TYR A 65 -7.355 -20.168 4.943 1.00 35.20 C ATOM 988 CD1 TYR A 65 -8.735 -20.189 5.111 1.00 42.35 C ATOM 989 CD2 TYR A 65 -6.564 -19.928 6.059 1.00 43.50 C ATOM 990 CE1 TYR A 65 -9.307 -19.976 6.350 1.00 70.41 C ATOM 991 CE2 TYR A 65 -7.127 -19.716 7.302 1.00 11.24 C ATOM 992 CZ TYR A 65 -8.499 -19.741 7.443 1.00 51.03 C ATOM 993 OH TYR A 65 -9.064 -19.529 8.679 1.00 32.04 O ATOM 0 H TYR A 65 -8.816 -22.107 3.467 1.00 64.50 H new ATOM 0 HA TYR A 65 -6.104 -21.986 2.278 1.00 74.34 H new ATOM 0 HB2 TYR A 65 -5.701 -20.051 3.601 1.00 33.32 H new ATOM 0 HB3 TYR A 65 -7.262 -19.797 2.845 1.00 33.32 H new ATOM 0 HD1 TYR A 65 -9.371 -20.375 4.258 1.00 42.35 H new ATOM 0 HD2 TYR A 65 -5.489 -19.907 5.953 1.00 43.50 H new ATOM 0 HE1 TYR A 65 -10.381 -19.993 6.462 1.00 70.41 H new ATOM 0 HE2 TYR A 65 -6.496 -19.532 8.159 1.00 11.24 H new ATOM 0 HH TYR A 65 -9.733 -18.816 8.615 1.00 32.04 H new ATOM 1003 N ARG A 66 -4.953 -23.074 4.218 1.00 53.40 N ATOM 1004 CA ARG A 66 -4.336 -23.919 5.232 1.00 23.41 C ATOM 1005 C ARG A 66 -4.084 -23.134 6.516 1.00 43.34 C ATOM 1006 O ARG A 66 -3.459 -22.073 6.494 1.00 73.54 O ATOM 1007 CB ARG A 66 -3.020 -24.500 4.710 1.00 0.13 C ATOM 1008 CG ARG A 66 -1.960 -23.448 4.428 1.00 62.12 C ATOM 1009 CD ARG A 66 -0.987 -23.312 5.588 1.00 25.53 C ATOM 1010 NE ARG A 66 -0.399 -21.977 5.657 1.00 62.24 N ATOM 1011 CZ ARG A 66 0.622 -21.584 4.903 1.00 73.03 C ATOM 1012 NH1 ARG A 66 1.164 -22.419 4.028 1.00 64.43 N ATOM 1013 NH2 ARG A 66 1.101 -20.353 5.023 1.00 41.42 N ATOM 0 H ARG A 66 -4.316 -22.759 3.487 1.00 53.40 H new ATOM 0 HA ARG A 66 -5.023 -24.735 5.455 1.00 23.41 H new ATOM 0 HB2 ARG A 66 -2.631 -25.209 5.440 1.00 0.13 H new ATOM 0 HB3 ARG A 66 -3.217 -25.060 3.796 1.00 0.13 H new ATOM 0 HG2 ARG A 66 -1.414 -23.714 3.523 1.00 62.12 H new ATOM 0 HG3 ARG A 66 -2.440 -22.488 4.240 1.00 62.12 H new ATOM 0 HD2 ARG A 66 -1.505 -23.529 6.522 1.00 25.53 H new ATOM 0 HD3 ARG A 66 -0.194 -24.052 5.484 1.00 25.53 H new ATOM 0 HE ARG A 66 -0.794 -21.310 6.320 1.00 62.24 H new ATOM 0 HH11 ARG A 66 0.797 -23.366 3.932 1.00 64.43 H new ATOM 0 HH12 ARG A 66 1.948 -22.115 3.450 1.00 64.43 H new ATOM 0 HH21 ARG A 66 0.686 -19.707 5.694 1.00 41.42 H new ATOM 0 HH22 ARG A 66 1.885 -20.052 4.444 1.00 41.42 H new ATOM 1027 N ALA A 67 -4.574 -23.661 7.632 1.00 34.33 N ATOM 1028 CA ALA A 67 -4.401 -23.011 8.925 1.00 13.50 C ATOM 1029 C ALA A 67 -3.214 -23.598 9.681 1.00 52.23 C ATOM 1030 O ALA A 67 -2.468 -24.415 9.143 1.00 42.12 O ATOM 1031 CB ALA A 67 -5.671 -23.136 9.754 1.00 73.25 C ATOM 0 H ALA A 67 -5.095 -24.537 7.667 1.00 34.33 H new ATOM 0 HA ALA A 67 -4.199 -21.955 8.748 1.00 13.50 H new ATOM 0 HB1 ALA A 67 -5.527 -22.646 10.717 1.00 73.25 H new ATOM 0 HB2 ALA A 67 -6.498 -22.662 9.226 1.00 73.25 H new ATOM 0 HB3 ALA A 67 -5.899 -24.190 9.914 1.00 73.25 H new ATOM 1037 N GLU A 68 -3.046 -23.175 10.930 1.00 61.21 N ATOM 1038 CA GLU A 68 -1.948 -23.659 11.758 1.00 64.31 C ATOM 1039 C GLU A 68 -1.949 -25.184 11.826 1.00 4.22 C ATOM 1040 O GLU A 68 -0.905 -25.808 12.020 1.00 51.34 O ATOM 1041 CB GLU A 68 -2.047 -23.075 13.168 1.00 2.44 C ATOM 1042 CG GLU A 68 -3.192 -23.648 13.986 1.00 53.23 C ATOM 1043 CD GLU A 68 -3.250 -23.078 15.390 1.00 44.13 C ATOM 1044 OE1 GLU A 68 -2.190 -22.665 15.906 1.00 65.44 O ATOM 1045 OE2 GLU A 68 -4.353 -23.044 15.973 1.00 73.44 O ATOM 0 H GLU A 68 -3.656 -22.499 11.390 1.00 61.21 H new ATOM 0 HA GLU A 68 -1.013 -23.333 11.303 1.00 64.31 H new ATOM 0 HB2 GLU A 68 -1.110 -23.257 13.694 1.00 2.44 H new ATOM 0 HB3 GLU A 68 -2.168 -21.994 13.097 1.00 2.44 H new ATOM 0 HG2 GLU A 68 -4.134 -23.445 13.477 1.00 53.23 H new ATOM 0 HG3 GLU A 68 -3.087 -24.731 14.042 1.00 53.23 H new ATOM 1052 N ARG A 69 -3.127 -25.777 11.667 1.00 54.53 N ATOM 1053 CA ARG A 69 -3.265 -27.227 11.712 1.00 74.21 C ATOM 1054 C ARG A 69 -2.960 -27.845 10.350 1.00 34.04 C ATOM 1055 O ARG A 69 -2.544 -28.999 10.260 1.00 20.13 O ATOM 1056 CB ARG A 69 -4.678 -27.613 12.154 1.00 53.21 C ATOM 1057 CG ARG A 69 -4.835 -27.729 13.661 1.00 5.44 C ATOM 1058 CD ARG A 69 -4.288 -29.050 14.178 1.00 33.32 C ATOM 1059 NE ARG A 69 -4.306 -29.117 15.637 1.00 3.20 N ATOM 1060 CZ ARG A 69 -3.748 -30.100 16.335 1.00 74.35 C ATOM 1061 NH1 ARG A 69 -3.133 -31.094 15.710 1.00 64.44 N ATOM 1062 NH2 ARG A 69 -3.806 -30.090 17.660 1.00 21.52 N ATOM 0 H ARG A 69 -4.000 -25.275 11.506 1.00 54.53 H new ATOM 0 HA ARG A 69 -2.547 -27.613 12.436 1.00 74.21 H new ATOM 0 HB2 ARG A 69 -5.382 -26.870 11.780 1.00 53.21 H new ATOM 0 HB3 ARG A 69 -4.946 -28.565 11.695 1.00 53.21 H new ATOM 0 HG2 ARG A 69 -4.315 -26.903 14.147 1.00 5.44 H new ATOM 0 HG3 ARG A 69 -5.889 -27.642 13.926 1.00 5.44 H new ATOM 0 HD2 ARG A 69 -4.878 -29.871 13.770 1.00 33.32 H new ATOM 0 HD3 ARG A 69 -3.267 -29.184 13.822 1.00 33.32 H new ATOM 0 HE ARG A 69 -4.773 -28.368 16.148 1.00 3.20 H new ATOM 0 HH11 ARG A 69 -3.087 -31.105 14.691 1.00 64.44 H new ATOM 0 HH12 ARG A 69 -2.705 -31.848 16.248 1.00 64.44 H new ATOM 0 HH21 ARG A 69 -4.279 -29.327 18.144 1.00 21.52 H new ATOM 0 HH22 ARG A 69 -3.377 -30.845 18.195 1.00 21.52 H new ATOM 1076 N GLY A 70 -3.172 -27.068 9.293 1.00 44.44 N ATOM 1077 CA GLY A 70 -2.915 -27.556 7.950 1.00 1.32 C ATOM 1078 C GLY A 70 -4.188 -27.915 7.210 1.00 12.43 C ATOM 1079 O GLY A 70 -4.203 -27.978 5.981 1.00 40.11 O ATOM 0 H GLY A 70 -3.517 -26.109 9.342 1.00 44.44 H new ATOM 0 HA2 GLY A 70 -2.374 -26.795 7.388 1.00 1.32 H new ATOM 0 HA3 GLY A 70 -2.269 -28.433 8.003 1.00 1.32 H new ATOM 1083 N ASP A 71 -5.259 -28.152 7.960 1.00 51.22 N ATOM 1084 CA ASP A 71 -6.543 -28.507 7.367 1.00 34.25 C ATOM 1085 C ASP A 71 -7.013 -27.426 6.400 1.00 55.42 C ATOM 1086 O ASP A 71 -6.400 -26.363 6.294 1.00 11.44 O ATOM 1087 CB ASP A 71 -7.591 -28.721 8.461 1.00 74.54 C ATOM 1088 CG ASP A 71 -7.522 -27.664 9.544 1.00 12.34 C ATOM 1089 OD1 ASP A 71 -7.795 -26.484 9.240 1.00 45.14 O ATOM 1090 OD2 ASP A 71 -7.195 -28.015 10.697 1.00 22.53 O ATOM 0 H ASP A 71 -5.263 -28.105 8.979 1.00 51.22 H new ATOM 0 HA ASP A 71 -6.414 -29.435 6.810 1.00 34.25 H new ATOM 0 HB2 ASP A 71 -8.585 -28.714 8.014 1.00 74.54 H new ATOM 0 HB3 ASP A 71 -7.449 -29.705 8.908 1.00 74.54 H new ATOM 1095 N LEU A 72 -8.104 -27.704 5.694 1.00 12.34 N ATOM 1096 CA LEU A 72 -8.657 -26.755 4.734 1.00 44.12 C ATOM 1097 C LEU A 72 -9.904 -26.078 5.293 1.00 3.40 C ATOM 1098 O LEU A 72 -10.821 -26.743 5.774 1.00 12.54 O ATOM 1099 CB LEU A 72 -8.993 -27.465 3.421 1.00 32.25 C ATOM 1100 CG LEU A 72 -7.829 -27.669 2.451 1.00 33.10 C ATOM 1101 CD1 LEU A 72 -8.288 -28.436 1.221 1.00 73.04 C ATOM 1102 CD2 LEU A 72 -7.226 -26.330 2.053 1.00 51.03 C ATOM 0 H LEU A 72 -8.623 -28.579 5.768 1.00 12.34 H new ATOM 0 HA LEU A 72 -7.905 -25.989 4.544 1.00 44.12 H new ATOM 0 HB2 LEU A 72 -9.418 -28.441 3.657 1.00 32.25 H new ATOM 0 HB3 LEU A 72 -9.769 -26.894 2.911 1.00 32.25 H new ATOM 0 HG LEU A 72 -7.060 -28.256 2.954 1.00 33.10 H new ATOM 0 HD11 LEU A 72 -7.446 -28.572 0.542 1.00 73.04 H new ATOM 0 HD12 LEU A 72 -8.672 -29.411 1.522 1.00 73.04 H new ATOM 0 HD13 LEU A 72 -9.075 -27.876 0.716 1.00 73.04 H new ATOM 0 HD21 LEU A 72 -6.399 -26.494 1.362 1.00 51.03 H new ATOM 0 HD22 LEU A 72 -7.987 -25.718 1.569 1.00 51.03 H new ATOM 0 HD23 LEU A 72 -6.860 -25.817 2.942 1.00 51.03 H new ATOM 1114 N VAL A 73 -9.931 -24.750 5.224 1.00 34.42 N ATOM 1115 CA VAL A 73 -11.067 -23.983 5.720 1.00 12.44 C ATOM 1116 C VAL A 73 -11.600 -23.036 4.651 1.00 71.13 C ATOM 1117 O VAL A 73 -11.019 -21.982 4.395 1.00 14.33 O ATOM 1118 CB VAL A 73 -10.690 -23.166 6.971 1.00 64.23 C ATOM 1119 CG1 VAL A 73 -11.879 -22.351 7.456 1.00 63.04 C ATOM 1120 CG2 VAL A 73 -10.177 -24.084 8.071 1.00 55.42 C ATOM 0 H VAL A 73 -9.180 -24.184 4.830 1.00 34.42 H new ATOM 0 HA VAL A 73 -11.842 -24.702 5.984 1.00 12.44 H new ATOM 0 HB VAL A 73 -9.891 -22.474 6.705 1.00 64.23 H new ATOM 0 HG11 VAL A 73 -11.593 -21.781 8.340 1.00 63.04 H new ATOM 0 HG12 VAL A 73 -12.196 -21.666 6.669 1.00 63.04 H new ATOM 0 HG13 VAL A 73 -12.701 -23.021 7.707 1.00 63.04 H new ATOM 0 HG21 VAL A 73 -9.915 -23.491 8.947 1.00 55.42 H new ATOM 0 HG22 VAL A 73 -10.953 -24.802 8.337 1.00 55.42 H new ATOM 0 HG23 VAL A 73 -9.295 -24.618 7.717 1.00 55.42 H new ATOM 1130 N ALA A 74 -12.710 -23.420 4.028 1.00 21.14 N ATOM 1131 CA ALA A 74 -13.323 -22.604 2.988 1.00 72.54 C ATOM 1132 C ALA A 74 -13.658 -21.211 3.508 1.00 3.31 C ATOM 1133 O ALA A 74 -14.617 -21.031 4.258 1.00 13.02 O ATOM 1134 CB ALA A 74 -14.575 -23.285 2.453 1.00 42.30 C ATOM 0 H ALA A 74 -13.202 -24.291 4.226 1.00 21.14 H new ATOM 0 HA ALA A 74 -12.605 -22.496 2.175 1.00 72.54 H new ATOM 0 HB1 ALA A 74 -15.023 -22.665 1.677 1.00 42.30 H new ATOM 0 HB2 ALA A 74 -14.310 -24.256 2.034 1.00 42.30 H new ATOM 0 HB3 ALA A 74 -15.289 -23.423 3.265 1.00 42.30 H new ATOM 1140 N PHE A 75 -12.860 -20.227 3.106 1.00 0.21 N ATOM 1141 CA PHE A 75 -13.071 -18.849 3.534 1.00 43.33 C ATOM 1142 C PHE A 75 -13.923 -18.089 2.521 1.00 21.31 C ATOM 1143 O PHE A 75 -13.946 -18.425 1.337 1.00 45.11 O ATOM 1144 CB PHE A 75 -11.728 -18.139 3.721 1.00 61.42 C ATOM 1145 CG PHE A 75 -11.020 -17.846 2.429 1.00 24.31 C ATOM 1146 CD1 PHE A 75 -11.283 -16.680 1.728 1.00 34.43 C ATOM 1147 CD2 PHE A 75 -10.090 -18.736 1.916 1.00 22.10 C ATOM 1148 CE1 PHE A 75 -10.634 -16.409 0.539 1.00 4.21 C ATOM 1149 CE2 PHE A 75 -9.437 -18.470 0.727 1.00 5.44 C ATOM 1150 CZ PHE A 75 -9.708 -17.304 0.039 1.00 52.23 C ATOM 0 H PHE A 75 -12.062 -20.358 2.485 1.00 0.21 H new ATOM 0 HA PHE A 75 -13.600 -18.868 4.487 1.00 43.33 H new ATOM 0 HB2 PHE A 75 -11.892 -17.204 4.256 1.00 61.42 H new ATOM 0 HB3 PHE A 75 -11.084 -18.756 4.347 1.00 61.42 H new ATOM 0 HD1 PHE A 75 -12.004 -15.975 2.116 1.00 34.43 H new ATOM 0 HD2 PHE A 75 -9.873 -19.648 2.452 1.00 22.10 H new ATOM 0 HE1 PHE A 75 -10.850 -15.498 0.001 1.00 4.21 H new ATOM 0 HE2 PHE A 75 -8.716 -19.173 0.337 1.00 5.44 H new ATOM 0 HZ PHE A 75 -9.197 -17.092 -0.888 1.00 52.23 H new ATOM 1160 N SER A 76 -14.623 -17.064 2.996 1.00 33.53 N ATOM 1161 CA SER A 76 -15.481 -16.259 2.134 1.00 21.55 C ATOM 1162 C SER A 76 -15.870 -14.954 2.822 1.00 43.14 C ATOM 1163 O SER A 76 -17.010 -14.502 2.720 1.00 51.21 O ATOM 1164 CB SER A 76 -16.739 -17.044 1.755 1.00 3.42 C ATOM 1165 OG SER A 76 -17.694 -17.013 2.802 1.00 63.03 O ATOM 0 H SER A 76 -14.613 -16.771 3.973 1.00 33.53 H new ATOM 0 HA SER A 76 -14.924 -16.020 1.228 1.00 21.55 H new ATOM 0 HB2 SER A 76 -17.175 -16.624 0.849 1.00 3.42 H new ATOM 0 HB3 SER A 76 -16.473 -18.077 1.531 1.00 3.42 H new ATOM 0 HG SER A 76 -18.040 -16.102 2.902 1.00 63.03 H new ATOM 1171 N SER A 77 -14.913 -14.353 3.521 1.00 23.15 N ATOM 1172 CA SER A 77 -15.155 -13.101 4.229 1.00 25.43 C ATOM 1173 C SER A 77 -13.846 -12.358 4.481 1.00 52.14 C ATOM 1174 O SER A 77 -12.806 -12.972 4.717 1.00 21.25 O ATOM 1175 CB SER A 77 -15.864 -13.371 5.557 1.00 13.15 C ATOM 1176 OG SER A 77 -16.447 -12.187 6.074 1.00 50.22 O ATOM 0 H SER A 77 -13.963 -14.712 3.612 1.00 23.15 H new ATOM 0 HA SER A 77 -15.793 -12.476 3.604 1.00 25.43 H new ATOM 0 HB2 SER A 77 -16.636 -14.127 5.414 1.00 13.15 H new ATOM 0 HB3 SER A 77 -15.152 -13.774 6.277 1.00 13.15 H new ATOM 0 HG SER A 77 -16.895 -12.387 6.922 1.00 50.22 H new ATOM 1182 N ASP A 78 -13.907 -11.032 4.427 1.00 51.10 N ATOM 1183 CA ASP A 78 -12.728 -10.203 4.650 1.00 53.24 C ATOM 1184 C ASP A 78 -12.033 -10.586 5.952 1.00 4.31 C ATOM 1185 O ASP A 78 -10.815 -10.763 5.987 1.00 15.14 O ATOM 1186 CB ASP A 78 -13.117 -8.724 4.680 1.00 11.12 C ATOM 1187 CG ASP A 78 -11.971 -7.833 5.118 1.00 52.12 C ATOM 1188 OD1 ASP A 78 -10.805 -8.257 4.981 1.00 42.14 O ATOM 1189 OD2 ASP A 78 -12.241 -6.712 5.598 1.00 22.04 O ATOM 0 H ASP A 78 -14.760 -10.508 4.231 1.00 51.10 H new ATOM 0 HA ASP A 78 -12.034 -10.371 3.826 1.00 53.24 H new ATOM 0 HB2 ASP A 78 -13.452 -8.419 3.689 1.00 11.12 H new ATOM 0 HB3 ASP A 78 -13.960 -8.587 5.357 1.00 11.12 H new ATOM 1194 N GLU A 79 -12.814 -10.710 7.020 1.00 33.32 N ATOM 1195 CA GLU A 79 -12.272 -11.070 8.325 1.00 21.21 C ATOM 1196 C GLU A 79 -11.486 -12.376 8.246 1.00 1.23 C ATOM 1197 O GLU A 79 -10.586 -12.619 9.049 1.00 31.34 O ATOM 1198 CB GLU A 79 -13.399 -11.202 9.352 1.00 43.42 C ATOM 1199 CG GLU A 79 -14.227 -12.465 9.188 1.00 54.42 C ATOM 1200 CD GLU A 79 -15.431 -12.496 10.109 1.00 74.10 C ATOM 1201 OE1 GLU A 79 -16.103 -11.452 10.244 1.00 75.41 O ATOM 1202 OE2 GLU A 79 -15.701 -13.566 10.695 1.00 55.51 O ATOM 0 H GLU A 79 -13.824 -10.567 7.007 1.00 33.32 H new ATOM 0 HA GLU A 79 -11.595 -10.276 8.640 1.00 21.21 H new ATOM 0 HB2 GLU A 79 -12.970 -11.187 10.354 1.00 43.42 H new ATOM 0 HB3 GLU A 79 -14.055 -10.335 9.273 1.00 43.42 H new ATOM 0 HG2 GLU A 79 -14.563 -12.543 8.154 1.00 54.42 H new ATOM 0 HG3 GLU A 79 -13.600 -13.334 9.386 1.00 54.42 H new ATOM 1209 N GLU A 80 -11.834 -13.211 7.273 1.00 70.53 N ATOM 1210 CA GLU A 80 -11.162 -14.493 7.090 1.00 11.31 C ATOM 1211 C GLU A 80 -9.834 -14.311 6.362 1.00 64.35 C ATOM 1212 O GLU A 80 -8.869 -15.034 6.616 1.00 11.22 O ATOM 1213 CB GLU A 80 -12.058 -15.456 6.309 1.00 65.54 C ATOM 1214 CG GLU A 80 -11.988 -16.891 6.806 1.00 12.51 C ATOM 1215 CD GLU A 80 -12.308 -17.012 8.283 1.00 11.33 C ATOM 1216 OE1 GLU A 80 -13.492 -16.861 8.649 1.00 54.31 O ATOM 1217 OE2 GLU A 80 -11.373 -17.258 9.074 1.00 70.01 O ATOM 0 H GLU A 80 -12.577 -13.024 6.599 1.00 70.53 H new ATOM 0 HA GLU A 80 -10.961 -14.914 8.075 1.00 11.31 H new ATOM 0 HB2 GLU A 80 -13.090 -15.109 6.370 1.00 65.54 H new ATOM 0 HB3 GLU A 80 -11.774 -15.430 5.257 1.00 65.54 H new ATOM 0 HG2 GLU A 80 -12.686 -17.504 6.235 1.00 12.51 H new ATOM 0 HG3 GLU A 80 -10.990 -17.288 6.620 1.00 12.51 H new ATOM 1224 N LEU A 81 -9.791 -13.342 5.454 1.00 71.53 N ATOM 1225 CA LEU A 81 -8.582 -13.065 4.687 1.00 64.24 C ATOM 1226 C LEU A 81 -7.529 -12.386 5.557 1.00 63.23 C ATOM 1227 O LEU A 81 -6.381 -12.828 5.621 1.00 42.25 O ATOM 1228 CB LEU A 81 -8.910 -12.183 3.481 1.00 3.30 C ATOM 1229 CG LEU A 81 -9.467 -12.904 2.253 1.00 3.11 C ATOM 1230 CD1 LEU A 81 -8.500 -13.979 1.781 1.00 42.40 C ATOM 1231 CD2 LEU A 81 -10.829 -13.508 2.562 1.00 50.24 C ATOM 0 H LEU A 81 -10.580 -12.735 5.231 1.00 71.53 H new ATOM 0 HA LEU A 81 -8.179 -14.015 4.335 1.00 64.24 H new ATOM 0 HB2 LEU A 81 -9.633 -11.429 3.794 1.00 3.30 H new ATOM 0 HB3 LEU A 81 -8.004 -11.653 3.187 1.00 3.30 H new ATOM 0 HG LEU A 81 -9.588 -12.176 1.451 1.00 3.11 H new ATOM 0 HD11 LEU A 81 -8.913 -14.481 0.906 1.00 42.40 H new ATOM 0 HD12 LEU A 81 -7.546 -13.521 1.519 1.00 42.40 H new ATOM 0 HD13 LEU A 81 -8.347 -14.706 2.578 1.00 42.40 H new ATOM 0 HD21 LEU A 81 -11.210 -14.017 1.677 1.00 50.24 H new ATOM 0 HD22 LEU A 81 -10.733 -14.223 3.379 1.00 50.24 H new ATOM 0 HD23 LEU A 81 -11.521 -12.717 2.852 1.00 50.24 H new ATOM 1243 N THR A 82 -7.927 -11.310 6.228 1.00 33.21 N ATOM 1244 CA THR A 82 -7.019 -10.571 7.095 1.00 12.44 C ATOM 1245 C THR A 82 -6.328 -11.499 8.087 1.00 32.25 C ATOM 1246 O THR A 82 -5.195 -11.251 8.498 1.00 30.03 O ATOM 1247 CB THR A 82 -7.760 -9.466 7.873 1.00 23.43 C ATOM 1248 OG1 THR A 82 -6.816 -8.573 8.474 1.00 24.00 O ATOM 1249 CG2 THR A 82 -8.652 -10.068 8.949 1.00 40.52 C ATOM 0 H THR A 82 -8.873 -10.931 6.187 1.00 33.21 H new ATOM 0 HA THR A 82 -6.270 -10.112 6.450 1.00 12.44 H new ATOM 0 HB THR A 82 -8.385 -8.914 7.171 1.00 23.43 H new ATOM 0 HG1 THR A 82 -7.295 -7.873 8.965 1.00 24.00 H new ATOM 0 HG21 THR A 82 -9.165 -9.270 9.485 1.00 40.52 H new ATOM 0 HG22 THR A 82 -9.388 -10.725 8.486 1.00 40.52 H new ATOM 0 HG23 THR A 82 -8.043 -10.641 9.648 1.00 40.52 H new ATOM 1257 N MET A 83 -7.018 -12.570 8.468 1.00 2.40 N ATOM 1258 CA MET A 83 -6.468 -13.537 9.411 1.00 13.42 C ATOM 1259 C MET A 83 -5.567 -14.540 8.698 1.00 1.43 C ATOM 1260 O MET A 83 -4.503 -14.899 9.202 1.00 70.24 O ATOM 1261 CB MET A 83 -7.597 -14.273 10.136 1.00 40.33 C ATOM 1262 CG MET A 83 -7.255 -14.650 11.568 1.00 73.00 C ATOM 1263 SD MET A 83 -8.518 -15.684 12.334 1.00 71.31 S ATOM 1264 CE MET A 83 -9.791 -14.470 12.671 1.00 32.32 C ATOM 0 H MET A 83 -7.958 -12.790 8.138 1.00 2.40 H new ATOM 0 HA MET A 83 -5.869 -12.994 10.142 1.00 13.42 H new ATOM 0 HB2 MET A 83 -8.487 -13.644 10.137 1.00 40.33 H new ATOM 0 HB3 MET A 83 -7.846 -15.177 9.580 1.00 40.33 H new ATOM 0 HG2 MET A 83 -6.301 -15.177 11.583 1.00 73.00 H new ATOM 0 HG3 MET A 83 -7.127 -13.742 12.158 1.00 73.00 H new ATOM 0 HE1 MET A 83 -10.627 -14.951 13.179 1.00 32.32 H new ATOM 0 HE2 MET A 83 -9.384 -13.683 13.306 1.00 32.32 H new ATOM 0 HE3 MET A 83 -10.137 -14.036 11.733 1.00 32.32 H new ATOM 1274 N ALA A 84 -6.000 -14.988 7.524 1.00 1.44 N ATOM 1275 CA ALA A 84 -5.231 -15.948 6.742 1.00 1.52 C ATOM 1276 C ALA A 84 -3.803 -15.459 6.524 1.00 62.30 C ATOM 1277 O ALA A 84 -2.848 -16.222 6.666 1.00 62.32 O ATOM 1278 CB ALA A 84 -5.912 -16.206 5.407 1.00 72.44 C ATOM 0 H ALA A 84 -6.879 -14.701 7.094 1.00 1.44 H new ATOM 0 HA ALA A 84 -5.186 -16.883 7.301 1.00 1.52 H new ATOM 0 HB1 ALA A 84 -5.327 -16.925 4.833 1.00 72.44 H new ATOM 0 HB2 ALA A 84 -6.911 -16.606 5.580 1.00 72.44 H new ATOM 0 HB3 ALA A 84 -5.987 -15.272 4.850 1.00 72.44 H new ATOM 1284 N MET A 85 -3.665 -14.184 6.178 1.00 40.35 N ATOM 1285 CA MET A 85 -2.352 -13.594 5.940 1.00 34.31 C ATOM 1286 C MET A 85 -1.504 -13.628 7.207 1.00 21.43 C ATOM 1287 O MET A 85 -0.276 -13.574 7.145 1.00 42.31 O ATOM 1288 CB MET A 85 -2.498 -12.153 5.449 1.00 52.23 C ATOM 1289 CG MET A 85 -3.506 -11.994 4.322 1.00 61.13 C ATOM 1290 SD MET A 85 -3.136 -10.591 3.252 1.00 42.23 S ATOM 1291 CE MET A 85 -2.210 -11.395 1.946 1.00 35.40 C ATOM 0 H MET A 85 -4.446 -13.539 6.056 1.00 40.35 H new ATOM 0 HA MET A 85 -1.850 -14.183 5.172 1.00 34.31 H new ATOM 0 HB2 MET A 85 -2.798 -11.521 6.285 1.00 52.23 H new ATOM 0 HB3 MET A 85 -1.527 -11.793 5.110 1.00 52.23 H new ATOM 0 HG2 MET A 85 -3.525 -12.906 3.725 1.00 61.13 H new ATOM 0 HG3 MET A 85 -4.502 -11.870 4.746 1.00 61.13 H new ATOM 0 HE1 MET A 85 -1.910 -10.655 1.204 1.00 35.40 H new ATOM 0 HE2 MET A 85 -1.323 -11.868 2.367 1.00 35.40 H new ATOM 0 HE3 MET A 85 -2.834 -12.152 1.471 1.00 35.40 H new ATOM 1301 N SER A 86 -2.167 -13.719 8.356 1.00 42.31 N ATOM 1302 CA SER A 86 -1.473 -13.756 9.638 1.00 51.20 C ATOM 1303 C SER A 86 -0.743 -15.083 9.822 1.00 1.44 C ATOM 1304 O SER A 86 0.220 -15.174 10.585 1.00 54.43 O ATOM 1305 CB SER A 86 -2.464 -13.542 10.784 1.00 22.31 C ATOM 1306 OG SER A 86 -1.817 -13.003 11.924 1.00 64.42 O ATOM 0 H SER A 86 -3.183 -13.768 8.425 1.00 42.31 H new ATOM 0 HA SER A 86 -0.737 -12.952 9.649 1.00 51.20 H new ATOM 0 HB2 SER A 86 -3.259 -12.869 10.461 1.00 22.31 H new ATOM 0 HB3 SER A 86 -2.935 -14.490 11.044 1.00 22.31 H new ATOM 0 HG SER A 86 -2.472 -12.874 12.642 1.00 64.42 H new ATOM 1312 N TYR A 87 -1.208 -16.109 9.119 1.00 42.01 N ATOM 1313 CA TYR A 87 -0.602 -17.432 9.206 1.00 63.22 C ATOM 1314 C TYR A 87 0.692 -17.493 8.400 1.00 5.42 C ATOM 1315 O TYR A 87 1.741 -17.880 8.916 1.00 42.22 O ATOM 1316 CB TYR A 87 -1.578 -18.497 8.704 1.00 31.41 C ATOM 1317 CG TYR A 87 -2.771 -18.700 9.610 1.00 33.13 C ATOM 1318 CD1 TYR A 87 -3.886 -17.875 9.520 1.00 64.32 C ATOM 1319 CD2 TYR A 87 -2.785 -19.717 10.557 1.00 65.53 C ATOM 1320 CE1 TYR A 87 -4.977 -18.057 10.346 1.00 15.53 C ATOM 1321 CE2 TYR A 87 -3.873 -19.907 11.386 1.00 23.05 C ATOM 1322 CZ TYR A 87 -4.966 -19.074 11.278 1.00 55.32 C ATOM 1323 OH TYR A 87 -6.053 -19.258 12.102 1.00 22.40 O ATOM 0 H TYR A 87 -2.003 -16.050 8.482 1.00 42.01 H new ATOM 0 HA TYR A 87 -0.367 -17.627 10.252 1.00 63.22 H new ATOM 0 HB2 TYR A 87 -1.930 -18.216 7.711 1.00 31.41 H new ATOM 0 HB3 TYR A 87 -1.047 -19.443 8.598 1.00 31.41 H new ATOM 0 HD1 TYR A 87 -3.899 -17.078 8.791 1.00 64.32 H new ATOM 0 HD2 TYR A 87 -1.930 -20.370 10.646 1.00 65.53 H new ATOM 0 HE1 TYR A 87 -5.835 -17.406 10.263 1.00 15.53 H new ATOM 0 HE2 TYR A 87 -3.868 -20.704 12.115 1.00 23.05 H new ATOM 0 HH TYR A 87 -5.886 -20.016 12.700 1.00 22.40 H new ATOM 1333 N VAL A 88 0.610 -17.106 7.131 1.00 4.00 N ATOM 1334 CA VAL A 88 1.774 -17.114 6.253 1.00 41.33 C ATOM 1335 C VAL A 88 2.787 -16.054 6.673 1.00 74.23 C ATOM 1336 O VAL A 88 2.446 -14.881 6.829 1.00 65.32 O ATOM 1337 CB VAL A 88 1.372 -16.871 4.786 1.00 52.31 C ATOM 1338 CG1 VAL A 88 0.586 -15.575 4.655 1.00 1.22 C ATOM 1339 CG2 VAL A 88 2.603 -16.850 3.893 1.00 51.24 C ATOM 0 H VAL A 88 -0.250 -16.783 6.688 1.00 4.00 H new ATOM 0 HA VAL A 88 2.228 -18.101 6.339 1.00 41.33 H new ATOM 0 HB VAL A 88 0.731 -17.691 4.463 1.00 52.31 H new ATOM 0 HG11 VAL A 88 0.311 -15.420 3.612 1.00 1.22 H new ATOM 0 HG12 VAL A 88 -0.316 -15.634 5.263 1.00 1.22 H new ATOM 0 HG13 VAL A 88 1.200 -14.741 4.996 1.00 1.22 H new ATOM 0 HG21 VAL A 88 2.300 -16.677 2.860 1.00 51.24 H new ATOM 0 HG22 VAL A 88 3.272 -16.051 4.214 1.00 51.24 H new ATOM 0 HG23 VAL A 88 3.121 -17.807 3.964 1.00 51.24 H new ATOM 1349 N LYS A 89 4.034 -16.475 6.854 1.00 51.20 N ATOM 1350 CA LYS A 89 5.099 -15.563 7.254 1.00 12.14 C ATOM 1351 C LYS A 89 5.853 -15.039 6.036 1.00 22.25 C ATOM 1352 O LYS A 89 6.479 -13.980 6.090 1.00 34.10 O ATOM 1353 CB LYS A 89 6.070 -16.266 8.205 1.00 32.15 C ATOM 1354 CG LYS A 89 5.620 -16.249 9.656 1.00 2.42 C ATOM 1355 CD LYS A 89 6.749 -16.640 10.595 1.00 61.53 C ATOM 1356 CE LYS A 89 7.598 -15.438 10.978 1.00 61.11 C ATOM 1357 NZ LYS A 89 7.016 -14.692 12.128 1.00 62.11 N ATOM 0 H LYS A 89 4.332 -17.443 6.730 1.00 51.20 H new ATOM 0 HA LYS A 89 4.644 -14.717 7.769 1.00 12.14 H new ATOM 0 HB2 LYS A 89 6.195 -17.300 7.884 1.00 32.15 H new ATOM 0 HB3 LYS A 89 7.047 -15.789 8.131 1.00 32.15 H new ATOM 0 HG2 LYS A 89 5.259 -15.253 9.914 1.00 2.42 H new ATOM 0 HG3 LYS A 89 4.783 -16.935 9.786 1.00 2.42 H new ATOM 0 HD2 LYS A 89 6.334 -17.095 11.494 1.00 61.53 H new ATOM 0 HD3 LYS A 89 7.377 -17.392 10.117 1.00 61.53 H new ATOM 0 HE2 LYS A 89 8.604 -15.770 11.233 1.00 61.11 H new ATOM 0 HE3 LYS A 89 7.690 -14.771 10.121 1.00 61.11 H new ATOM 0 HZ1 LYS A 89 7.624 -13.880 12.358 1.00 62.11 H new ATOM 0 HZ2 LYS A 89 6.066 -14.353 11.876 1.00 62.11 H new ATOM 0 HZ3 LYS A 89 6.952 -15.322 12.953 1.00 62.11 H new ATOM 1371 N ASP A 90 5.789 -15.787 4.940 1.00 11.41 N ATOM 1372 CA ASP A 90 6.464 -15.396 3.708 1.00 70.11 C ATOM 1373 C ASP A 90 5.619 -14.403 2.917 1.00 52.15 C ATOM 1374 O ASP A 90 4.620 -13.885 3.417 1.00 23.12 O ATOM 1375 CB ASP A 90 6.761 -16.628 2.851 1.00 31.14 C ATOM 1376 CG ASP A 90 7.442 -17.730 3.639 1.00 74.30 C ATOM 1377 OD1 ASP A 90 8.518 -17.469 4.215 1.00 31.15 O ATOM 1378 OD2 ASP A 90 6.898 -18.854 3.678 1.00 24.41 O ATOM 0 H ASP A 90 5.277 -16.667 4.880 1.00 11.41 H new ATOM 0 HA ASP A 90 7.404 -14.913 3.975 1.00 70.11 H new ATOM 0 HB2 ASP A 90 5.830 -17.008 2.431 1.00 31.14 H new ATOM 0 HB3 ASP A 90 7.395 -16.340 2.012 1.00 31.14 H new ATOM 1383 N ASP A 91 6.026 -14.141 1.680 1.00 63.14 N ATOM 1384 CA ASP A 91 5.307 -13.210 0.819 1.00 53.45 C ATOM 1385 C ASP A 91 4.482 -13.959 -0.223 1.00 72.12 C ATOM 1386 O ASP A 91 3.945 -13.358 -1.154 1.00 42.50 O ATOM 1387 CB ASP A 91 6.287 -12.261 0.126 1.00 75.55 C ATOM 1388 CG ASP A 91 7.484 -12.989 -0.454 1.00 51.41 C ATOM 1389 OD1 ASP A 91 7.301 -13.751 -1.426 1.00 30.44 O ATOM 1390 OD2 ASP A 91 8.604 -12.796 0.064 1.00 12.43 O ATOM 0 H ASP A 91 6.851 -14.561 1.251 1.00 63.14 H new ATOM 0 HA ASP A 91 4.629 -12.627 1.443 1.00 53.45 H new ATOM 0 HB2 ASP A 91 5.769 -11.727 -0.670 1.00 75.55 H new ATOM 0 HB3 ASP A 91 6.631 -11.513 0.840 1.00 75.55 H new ATOM 1395 N ILE A 92 4.386 -15.274 -0.060 1.00 63.32 N ATOM 1396 CA ILE A 92 3.627 -16.105 -0.986 1.00 61.15 C ATOM 1397 C ILE A 92 2.360 -16.643 -0.330 1.00 61.33 C ATOM 1398 O ILE A 92 2.420 -17.325 0.693 1.00 14.02 O ATOM 1399 CB ILE A 92 4.468 -17.289 -1.500 1.00 41.42 C ATOM 1400 CG1 ILE A 92 5.772 -16.784 -2.122 1.00 31.10 C ATOM 1401 CG2 ILE A 92 3.674 -18.104 -2.510 1.00 1.21 C ATOM 1402 CD1 ILE A 92 6.658 -17.891 -2.648 1.00 65.11 C ATOM 0 H ILE A 92 4.824 -15.787 0.705 1.00 63.32 H new ATOM 0 HA ILE A 92 3.355 -15.470 -1.829 1.00 61.15 H new ATOM 0 HB ILE A 92 4.715 -17.934 -0.656 1.00 41.42 H new ATOM 0 HG12 ILE A 92 5.535 -16.100 -2.937 1.00 31.10 H new ATOM 0 HG13 ILE A 92 6.323 -16.212 -1.376 1.00 31.10 H new ATOM 0 HG21 ILE A 92 4.282 -18.937 -2.864 1.00 1.21 H new ATOM 0 HG22 ILE A 92 2.771 -18.489 -2.037 1.00 1.21 H new ATOM 0 HG23 ILE A 92 3.400 -17.471 -3.354 1.00 1.21 H new ATOM 0 HD11 ILE A 92 7.564 -17.460 -3.074 1.00 65.11 H new ATOM 0 HD12 ILE A 92 6.925 -18.562 -1.832 1.00 65.11 H new ATOM 0 HD13 ILE A 92 6.125 -18.449 -3.417 1.00 65.11 H new ATOM 1414 N PHE A 93 1.214 -16.334 -0.927 1.00 51.24 N ATOM 1415 CA PHE A 93 -0.069 -16.787 -0.402 1.00 24.02 C ATOM 1416 C PHE A 93 -0.607 -17.960 -1.217 1.00 4.44 C ATOM 1417 O PHE A 93 -0.955 -17.808 -2.388 1.00 4.23 O ATOM 1418 CB PHE A 93 -1.081 -15.640 -0.409 1.00 2.43 C ATOM 1419 CG PHE A 93 -2.378 -15.980 0.268 1.00 23.21 C ATOM 1420 CD1 PHE A 93 -2.386 -16.639 1.487 1.00 71.42 C ATOM 1421 CD2 PHE A 93 -3.588 -15.641 -0.314 1.00 53.30 C ATOM 1422 CE1 PHE A 93 -3.578 -16.955 2.111 1.00 11.32 C ATOM 1423 CE2 PHE A 93 -4.784 -15.953 0.306 1.00 44.11 C ATOM 1424 CZ PHE A 93 -4.778 -16.610 1.521 1.00 53.13 C ATOM 0 H PHE A 93 1.147 -15.771 -1.775 1.00 51.24 H new ATOM 0 HA PHE A 93 0.084 -17.120 0.624 1.00 24.02 H new ATOM 0 HB2 PHE A 93 -0.640 -14.774 0.084 1.00 2.43 H new ATOM 0 HB3 PHE A 93 -1.284 -15.351 -1.440 1.00 2.43 H new ATOM 0 HD1 PHE A 93 -1.451 -16.909 1.955 1.00 71.42 H new ATOM 0 HD2 PHE A 93 -3.598 -15.127 -1.264 1.00 53.30 H new ATOM 0 HE1 PHE A 93 -3.571 -17.471 3.059 1.00 11.32 H new ATOM 0 HE2 PHE A 93 -5.721 -15.684 -0.159 1.00 44.11 H new ATOM 0 HZ PHE A 93 -5.710 -16.854 2.009 1.00 53.13 H new ATOM 1434 N ARG A 94 -0.671 -19.129 -0.588 1.00 40.12 N ATOM 1435 CA ARG A 94 -1.164 -20.328 -1.254 1.00 74.24 C ATOM 1436 C ARG A 94 -2.574 -20.671 -0.782 1.00 73.32 C ATOM 1437 O ARG A 94 -2.853 -20.677 0.417 1.00 33.41 O ATOM 1438 CB ARG A 94 -0.226 -21.507 -0.991 1.00 4.24 C ATOM 1439 CG ARG A 94 1.174 -21.307 -1.548 1.00 62.22 C ATOM 1440 CD ARG A 94 2.072 -22.494 -1.237 1.00 24.04 C ATOM 1441 NE ARG A 94 3.144 -22.642 -2.218 1.00 74.42 N ATOM 1442 CZ ARG A 94 4.267 -21.934 -2.193 1.00 20.03 C ATOM 1443 NH1 ARG A 94 4.465 -21.033 -1.240 1.00 63.31 N ATOM 1444 NH2 ARG A 94 5.195 -22.126 -3.121 1.00 63.41 N ATOM 0 H ARG A 94 -0.388 -19.271 0.382 1.00 40.12 H new ATOM 0 HA ARG A 94 -1.195 -20.130 -2.325 1.00 74.24 H new ATOM 0 HB2 ARG A 94 -0.160 -21.675 0.084 1.00 4.24 H new ATOM 0 HB3 ARG A 94 -0.657 -22.408 -1.428 1.00 4.24 H new ATOM 0 HG2 ARG A 94 1.120 -21.163 -2.627 1.00 62.22 H new ATOM 0 HG3 ARG A 94 1.608 -20.400 -1.127 1.00 62.22 H new ATOM 0 HD2 ARG A 94 2.504 -22.371 -0.244 1.00 24.04 H new ATOM 0 HD3 ARG A 94 1.474 -23.405 -1.214 1.00 24.04 H new ATOM 0 HE ARG A 94 3.023 -23.327 -2.964 1.00 74.42 H new ATOM 0 HH11 ARG A 94 3.754 -20.883 -0.524 1.00 63.31 H new ATOM 0 HH12 ARG A 94 5.328 -20.490 -1.223 1.00 63.31 H new ATOM 0 HH21 ARG A 94 5.046 -22.818 -3.855 1.00 63.41 H new ATOM 0 HH22 ARG A 94 6.057 -21.581 -3.100 1.00 63.41 H new ATOM 1458 N ILE A 95 -3.458 -20.956 -1.733 1.00 11.33 N ATOM 1459 CA ILE A 95 -4.838 -21.300 -1.414 1.00 30.14 C ATOM 1460 C ILE A 95 -5.339 -22.437 -2.298 1.00 33.14 C ATOM 1461 O ILE A 95 -4.783 -22.700 -3.364 1.00 40.21 O ATOM 1462 CB ILE A 95 -5.773 -20.087 -1.577 1.00 72.40 C ATOM 1463 CG1 ILE A 95 -5.561 -19.433 -2.944 1.00 10.45 C ATOM 1464 CG2 ILE A 95 -5.537 -19.082 -0.460 1.00 32.24 C ATOM 1465 CD1 ILE A 95 -6.574 -18.355 -3.261 1.00 3.32 C ATOM 0 H ILE A 95 -3.243 -20.955 -2.730 1.00 11.33 H new ATOM 0 HA ILE A 95 -4.851 -21.620 -0.372 1.00 30.14 H new ATOM 0 HB ILE A 95 -6.805 -20.431 -1.516 1.00 72.40 H new ATOM 0 HG12 ILE A 95 -4.560 -19.002 -2.981 1.00 10.45 H new ATOM 0 HG13 ILE A 95 -5.606 -20.201 -3.716 1.00 10.45 H new ATOM 0 HG21 ILE A 95 -6.205 -18.231 -0.589 1.00 32.24 H new ATOM 0 HG22 ILE A 95 -5.734 -19.555 0.502 1.00 32.24 H new ATOM 0 HG23 ILE A 95 -4.503 -18.739 -0.491 1.00 32.24 H new ATOM 0 HD11 ILE A 95 -6.363 -17.935 -4.245 1.00 3.32 H new ATOM 0 HD12 ILE A 95 -7.576 -18.785 -3.257 1.00 3.32 H new ATOM 0 HD13 ILE A 95 -6.514 -17.567 -2.510 1.00 3.32 H new ATOM 1477 N TYR A 96 -6.394 -23.107 -1.848 1.00 32.40 N ATOM 1478 CA TYR A 96 -6.971 -24.217 -2.598 1.00 20.14 C ATOM 1479 C TYR A 96 -8.336 -23.840 -3.165 1.00 70.11 C ATOM 1480 O TYR A 96 -9.308 -23.690 -2.425 1.00 34.14 O ATOM 1481 CB TYR A 96 -7.101 -25.451 -1.703 1.00 72.12 C ATOM 1482 CG TYR A 96 -5.773 -26.003 -1.236 1.00 35.21 C ATOM 1483 CD1 TYR A 96 -5.016 -25.332 -0.284 1.00 21.41 C ATOM 1484 CD2 TYR A 96 -5.277 -27.197 -1.746 1.00 40.41 C ATOM 1485 CE1 TYR A 96 -3.802 -25.833 0.145 1.00 0.12 C ATOM 1486 CE2 TYR A 96 -4.065 -27.705 -1.322 1.00 23.32 C ATOM 1487 CZ TYR A 96 -3.331 -27.020 -0.376 1.00 43.45 C ATOM 1488 OH TYR A 96 -2.123 -27.522 0.049 1.00 24.24 O ATOM 0 H TYR A 96 -6.867 -22.901 -0.968 1.00 32.40 H new ATOM 0 HA TYR A 96 -6.304 -24.447 -3.429 1.00 20.14 H new ATOM 0 HB2 TYR A 96 -7.705 -25.196 -0.832 1.00 72.12 H new ATOM 0 HB3 TYR A 96 -7.637 -26.229 -2.247 1.00 72.12 H new ATOM 0 HD1 TYR A 96 -5.383 -24.403 0.128 1.00 21.41 H new ATOM 0 HD2 TYR A 96 -5.849 -27.737 -2.486 1.00 40.41 H new ATOM 0 HE1 TYR A 96 -3.225 -25.298 0.885 1.00 0.12 H new ATOM 0 HE2 TYR A 96 -3.694 -28.634 -1.729 1.00 23.32 H new ATOM 0 HH TYR A 96 -1.938 -28.365 -0.415 1.00 24.24 H new ATOM 1498 N ILE A 97 -8.400 -23.689 -4.484 1.00 21.23 N ATOM 1499 CA ILE A 97 -9.645 -23.332 -5.152 1.00 12.33 C ATOM 1500 C ILE A 97 -10.445 -24.575 -5.526 1.00 10.04 C ATOM 1501 O ILE A 97 -9.909 -25.522 -6.102 1.00 51.31 O ATOM 1502 CB ILE A 97 -9.384 -22.502 -6.422 1.00 51.53 C ATOM 1503 CG1 ILE A 97 -8.416 -21.356 -6.119 1.00 52.15 C ATOM 1504 CG2 ILE A 97 -10.693 -21.963 -6.981 1.00 44.12 C ATOM 1505 CD1 ILE A 97 -8.906 -20.421 -5.036 1.00 33.44 C ATOM 0 H ILE A 97 -7.604 -23.808 -5.111 1.00 21.23 H new ATOM 0 HA ILE A 97 -10.220 -22.732 -4.447 1.00 12.33 H new ATOM 0 HB ILE A 97 -8.929 -23.148 -7.173 1.00 51.53 H new ATOM 0 HG12 ILE A 97 -7.454 -21.773 -5.820 1.00 52.15 H new ATOM 0 HG13 ILE A 97 -8.246 -20.784 -7.031 1.00 52.15 H new ATOM 0 HG21 ILE A 97 -10.492 -21.378 -7.879 1.00 44.12 H new ATOM 0 HG22 ILE A 97 -11.352 -22.795 -7.230 1.00 44.12 H new ATOM 0 HG23 ILE A 97 -11.174 -21.329 -6.235 1.00 44.12 H new ATOM 0 HD11 ILE A 97 -8.170 -19.634 -4.874 1.00 33.44 H new ATOM 0 HD12 ILE A 97 -9.853 -19.975 -5.341 1.00 33.44 H new ATOM 0 HD13 ILE A 97 -9.049 -20.979 -4.111 1.00 33.44 H new ATOM 1517 N LYS A 98 -11.732 -24.565 -5.195 1.00 61.32 N ATOM 1518 CA LYS A 98 -12.609 -25.690 -5.498 1.00 63.24 C ATOM 1519 C LYS A 98 -13.978 -25.203 -5.961 1.00 71.34 C ATOM 1520 O LYS A 98 -14.608 -24.378 -5.302 1.00 13.42 O ATOM 1521 CB LYS A 98 -12.764 -26.588 -4.269 1.00 62.30 C ATOM 1522 CG LYS A 98 -11.850 -27.801 -4.283 1.00 22.33 C ATOM 1523 CD LYS A 98 -12.322 -28.866 -3.307 1.00 22.20 C ATOM 1524 CE LYS A 98 -11.879 -30.255 -3.741 1.00 31.22 C ATOM 1525 NZ LYS A 98 -12.838 -31.306 -3.299 1.00 43.14 N ATOM 0 H LYS A 98 -12.191 -23.790 -4.717 1.00 61.32 H new ATOM 0 HA LYS A 98 -12.155 -26.265 -6.305 1.00 63.24 H new ATOM 0 HB2 LYS A 98 -12.562 -26.001 -3.373 1.00 62.30 H new ATOM 0 HB3 LYS A 98 -13.799 -26.924 -4.203 1.00 62.30 H new ATOM 0 HG2 LYS A 98 -11.814 -28.219 -5.289 1.00 22.33 H new ATOM 0 HG3 LYS A 98 -10.835 -27.496 -4.028 1.00 22.33 H new ATOM 0 HD2 LYS A 98 -11.928 -28.651 -2.314 1.00 22.20 H new ATOM 0 HD3 LYS A 98 -13.409 -28.836 -3.232 1.00 22.20 H new ATOM 0 HE2 LYS A 98 -11.784 -30.283 -4.826 1.00 31.22 H new ATOM 0 HE3 LYS A 98 -10.892 -30.467 -3.329 1.00 31.22 H new ATOM 0 HZ1 LYS A 98 -12.501 -32.238 -3.614 1.00 43.14 H new ATOM 0 HZ2 LYS A 98 -12.910 -31.296 -2.262 1.00 43.14 H new ATOM 0 HZ3 LYS A 98 -13.774 -31.118 -3.713 1.00 43.14 H new ATOM 1539 N GLU A 99 -14.432 -25.722 -7.098 1.00 53.43 N ATOM 1540 CA GLU A 99 -15.728 -25.339 -7.648 1.00 4.13 C ATOM 1541 C GLU A 99 -16.862 -26.039 -6.905 1.00 20.02 C ATOM 1542 O GLU A 99 -16.787 -27.234 -6.617 1.00 53.14 O ATOM 1543 CB GLU A 99 -15.794 -25.677 -9.138 1.00 73.24 C ATOM 1544 CG GLU A 99 -15.440 -27.121 -9.451 1.00 74.42 C ATOM 1545 CD GLU A 99 -16.631 -27.920 -9.946 1.00 1.14 C ATOM 1546 OE1 GLU A 99 -17.359 -27.415 -10.825 1.00 52.44 O ATOM 1547 OE2 GLU A 99 -16.834 -29.049 -9.453 1.00 75.10 O ATOM 0 H GLU A 99 -13.923 -26.408 -7.655 1.00 53.43 H new ATOM 0 HA GLU A 99 -15.844 -24.263 -7.522 1.00 4.13 H new ATOM 0 HB2 GLU A 99 -16.800 -25.471 -9.504 1.00 73.24 H new ATOM 0 HB3 GLU A 99 -15.116 -25.019 -9.681 1.00 73.24 H new ATOM 0 HG2 GLU A 99 -14.654 -27.143 -10.205 1.00 74.42 H new ATOM 0 HG3 GLU A 99 -15.036 -27.594 -8.556 1.00 74.42 H new ATOM 1554 N LYS A 100 -17.912 -25.286 -6.596 1.00 33.11 N ATOM 1555 CA LYS A 100 -19.064 -25.832 -5.887 1.00 43.02 C ATOM 1556 C LYS A 100 -19.765 -26.895 -6.726 1.00 70.32 C ATOM 1557 O LYS A 100 -19.725 -28.082 -6.401 1.00 72.33 O ATOM 1558 CB LYS A 100 -20.048 -24.715 -5.534 1.00 40.42 C ATOM 1559 CG LYS A 100 -19.587 -23.839 -4.382 1.00 25.10 C ATOM 1560 CD LYS A 100 -20.760 -23.176 -3.681 1.00 32.24 C ATOM 1561 CE LYS A 100 -20.616 -21.662 -3.662 1.00 63.22 C ATOM 1562 NZ LYS A 100 -20.072 -21.173 -2.365 1.00 43.43 N ATOM 0 H LYS A 100 -17.989 -24.295 -6.825 1.00 33.11 H new ATOM 0 HA LYS A 100 -18.707 -26.297 -4.968 1.00 43.02 H new ATOM 0 HB2 LYS A 100 -20.206 -24.091 -6.413 1.00 40.42 H new ATOM 0 HB3 LYS A 100 -21.011 -25.158 -5.280 1.00 40.42 H new ATOM 0 HG2 LYS A 100 -19.028 -24.442 -3.666 1.00 25.10 H new ATOM 0 HG3 LYS A 100 -18.906 -23.074 -4.755 1.00 25.10 H new ATOM 0 HD2 LYS A 100 -21.687 -23.448 -4.185 1.00 32.24 H new ATOM 0 HD3 LYS A 100 -20.832 -23.548 -2.659 1.00 32.24 H new ATOM 0 HE2 LYS A 100 -19.958 -21.350 -4.473 1.00 63.22 H new ATOM 0 HE3 LYS A 100 -21.587 -21.202 -3.845 1.00 63.22 H new ATOM 0 HZ1 LYS A 100 -20.796 -20.609 -1.876 1.00 43.43 H new ATOM 0 HZ2 LYS A 100 -19.806 -21.985 -1.772 1.00 43.43 H new ATOM 0 HZ3 LYS A 100 -19.233 -20.583 -2.540 1.00 43.43 H new