USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 0.0958 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -150:sc= -0.621 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.33! C(o=-3.3!,f=-2.4!) USER MOD Single : A 64 HIS : no HE2:sc= -4.29! C(o=-4.3!,f=-6!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -14:sc= 0.814 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -170:sc= 0 (180deg=-0.106) USER MOD Single : A 85 MET CE :methyl 164:sc= -0.192 (180deg=-0.752) 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+ 162:sc= 0 (180deg=-0.149) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 3 2.515 -5.253 -2.166 1.00 41.21 N ATOM 36 CA SER A 3 1.711 -6.307 -2.773 1.00 53.45 C ATOM 37 C SER A 3 2.275 -7.683 -2.437 1.00 24.30 C ATOM 38 O SER A 3 3.452 -7.819 -2.098 1.00 71.00 O ATOM 39 CB SER A 3 1.654 -6.123 -4.291 1.00 72.23 C ATOM 40 OG SER A 3 1.151 -4.843 -4.632 1.00 12.12 O ATOM 0 HA SER A 3 0.702 -6.239 -2.367 1.00 53.45 H new ATOM 0 HB2 SER A 3 2.651 -6.250 -4.713 1.00 72.23 H new ATOM 0 HB3 SER A 3 1.021 -6.894 -4.730 1.00 72.23 H new ATOM 0 HG SER A 3 1.488 -4.179 -3.995 1.00 12.12 H new ATOM 46 N LEU A 4 1.429 -8.702 -2.533 1.00 32.52 N ATOM 47 CA LEU A 4 1.842 -10.070 -2.239 1.00 33.40 C ATOM 48 C LEU A 4 1.277 -11.043 -3.269 1.00 75.01 C ATOM 49 O LEU A 4 0.077 -11.043 -3.547 1.00 52.12 O ATOM 50 CB LEU A 4 1.383 -10.472 -0.836 1.00 61.30 C ATOM 51 CG LEU A 4 1.481 -9.389 0.238 1.00 11.52 C ATOM 52 CD1 LEU A 4 0.750 -9.820 1.500 1.00 20.21 C ATOM 53 CD2 LEU A 4 2.937 -9.072 0.545 1.00 3.21 C ATOM 0 H LEU A 4 0.453 -8.607 -2.812 1.00 32.52 H new ATOM 0 HA LEU A 4 2.930 -10.112 -2.285 1.00 33.40 H new ATOM 0 HB2 LEU A 4 0.346 -10.804 -0.896 1.00 61.30 H new ATOM 0 HB3 LEU A 4 1.974 -11.329 -0.514 1.00 61.30 H new ATOM 0 HG LEU A 4 1.005 -8.485 -0.142 1.00 11.52 H new ATOM 0 HD11 LEU A 4 0.831 -9.036 2.253 1.00 20.21 H new ATOM 0 HD12 LEU A 4 -0.301 -9.995 1.270 1.00 20.21 H new ATOM 0 HD13 LEU A 4 1.195 -10.738 1.883 1.00 20.21 H new ATOM 0 HD21 LEU A 4 2.987 -8.299 1.312 1.00 3.21 H new ATOM 0 HD22 LEU A 4 3.437 -9.972 0.903 1.00 3.21 H new ATOM 0 HD23 LEU A 4 3.431 -8.718 -0.360 1.00 3.21 H new ATOM 65 N THR A 5 2.149 -11.874 -3.832 1.00 54.20 N ATOM 66 CA THR A 5 1.737 -12.853 -4.830 1.00 50.54 C ATOM 67 C THR A 5 0.864 -13.937 -4.210 1.00 15.11 C ATOM 68 O THR A 5 1.208 -14.509 -3.176 1.00 31.51 O ATOM 69 CB THR A 5 2.954 -13.513 -5.505 1.00 22.02 C ATOM 70 OG1 THR A 5 4.148 -13.197 -4.780 1.00 14.44 O ATOM 71 CG2 THR A 5 3.092 -13.048 -6.947 1.00 25.14 C ATOM 0 H THR A 5 3.145 -11.888 -3.613 1.00 54.20 H new ATOM 0 HA THR A 5 1.161 -12.314 -5.582 1.00 50.54 H new ATOM 0 HB THR A 5 2.802 -14.592 -5.501 1.00 22.02 H new ATOM 0 HG1 THR A 5 4.917 -13.622 -5.215 1.00 14.44 H new ATOM 0 HG21 THR A 5 3.958 -13.528 -7.403 1.00 25.14 H new ATOM 0 HG22 THR A 5 2.194 -13.317 -7.503 1.00 25.14 H new ATOM 0 HG23 THR A 5 3.223 -11.966 -6.969 1.00 25.14 H new ATOM 79 N VAL A 6 -0.269 -14.215 -4.848 1.00 62.50 N ATOM 80 CA VAL A 6 -1.191 -15.233 -4.359 1.00 73.33 C ATOM 81 C VAL A 6 -1.380 -16.343 -5.387 1.00 65.41 C ATOM 82 O VAL A 6 -1.892 -16.111 -6.482 1.00 45.23 O ATOM 83 CB VAL A 6 -2.565 -14.627 -4.017 1.00 33.53 C ATOM 84 CG1 VAL A 6 -3.108 -13.834 -5.196 1.00 31.15 C ATOM 85 CG2 VAL A 6 -3.541 -15.720 -3.604 1.00 43.51 C ATOM 0 H VAL A 6 -0.570 -13.750 -5.704 1.00 62.50 H new ATOM 0 HA VAL A 6 -0.750 -15.651 -3.454 1.00 73.33 H new ATOM 0 HB VAL A 6 -2.442 -13.944 -3.177 1.00 33.53 H new ATOM 0 HG11 VAL A 6 -4.079 -13.414 -4.935 1.00 31.15 H new ATOM 0 HG12 VAL A 6 -2.417 -13.027 -5.441 1.00 31.15 H new ATOM 0 HG13 VAL A 6 -3.217 -14.492 -6.058 1.00 31.15 H new ATOM 0 HG21 VAL A 6 -4.507 -15.274 -3.366 1.00 43.51 H new ATOM 0 HG22 VAL A 6 -3.661 -16.429 -4.423 1.00 43.51 H new ATOM 0 HG23 VAL A 6 -3.155 -16.240 -2.727 1.00 43.51 H new ATOM 95 N LYS A 7 -0.963 -17.552 -5.027 1.00 25.51 N ATOM 96 CA LYS A 7 -1.086 -18.701 -5.916 1.00 70.41 C ATOM 97 C LYS A 7 -2.394 -19.445 -5.665 1.00 62.43 C ATOM 98 O LYS A 7 -2.866 -19.525 -4.532 1.00 24.44 O ATOM 99 CB LYS A 7 0.098 -19.651 -5.723 1.00 64.14 C ATOM 100 CG LYS A 7 1.444 -19.013 -6.020 1.00 4.34 C ATOM 101 CD LYS A 7 2.584 -19.795 -5.388 1.00 73.12 C ATOM 102 CE LYS A 7 3.175 -20.802 -6.363 1.00 24.15 C ATOM 103 NZ LYS A 7 4.077 -21.771 -5.680 1.00 3.43 N ATOM 0 H LYS A 7 -0.536 -17.762 -4.125 1.00 25.51 H new ATOM 0 HA LYS A 7 -1.087 -18.336 -6.943 1.00 70.41 H new ATOM 0 HB2 LYS A 7 0.097 -20.016 -4.696 1.00 64.14 H new ATOM 0 HB3 LYS A 7 -0.034 -20.519 -6.369 1.00 64.14 H new ATOM 0 HG2 LYS A 7 1.592 -18.960 -7.099 1.00 4.34 H new ATOM 0 HG3 LYS A 7 1.453 -17.989 -5.646 1.00 4.34 H new ATOM 0 HD2 LYS A 7 3.362 -19.106 -5.059 1.00 73.12 H new ATOM 0 HD3 LYS A 7 2.223 -20.315 -4.501 1.00 73.12 H new ATOM 0 HE2 LYS A 7 2.369 -21.343 -6.859 1.00 24.15 H new ATOM 0 HE3 LYS A 7 3.730 -20.274 -7.139 1.00 24.15 H new ATOM 0 HZ1 LYS A 7 4.460 -22.440 -6.378 1.00 3.43 H new ATOM 0 HZ2 LYS A 7 4.860 -21.257 -5.228 1.00 3.43 H new ATOM 0 HZ3 LYS A 7 3.542 -22.293 -4.957 1.00 3.43 H new ATOM 117 N ALA A 8 -2.974 -19.989 -6.730 1.00 65.24 N ATOM 118 CA ALA A 8 -4.225 -20.730 -6.625 1.00 4.45 C ATOM 119 C ALA A 8 -4.056 -22.164 -7.113 1.00 75.31 C ATOM 120 O ALA A 8 -3.304 -22.427 -8.052 1.00 0.43 O ATOM 121 CB ALA A 8 -5.322 -20.027 -7.411 1.00 23.41 C ATOM 0 H ALA A 8 -2.597 -19.930 -7.676 1.00 65.24 H new ATOM 0 HA ALA A 8 -4.512 -20.764 -5.574 1.00 4.45 H new ATOM 0 HB1 ALA A 8 -6.251 -20.591 -7.324 1.00 23.41 H new ATOM 0 HB2 ALA A 8 -5.469 -19.023 -7.013 1.00 23.41 H new ATOM 0 HB3 ALA A 8 -5.034 -19.963 -8.460 1.00 23.41 H new ATOM 127 N TYR A 9 -4.761 -23.089 -6.471 1.00 22.43 N ATOM 128 CA TYR A 9 -4.687 -24.498 -6.838 1.00 62.42 C ATOM 129 C TYR A 9 -6.080 -25.074 -7.072 1.00 71.33 C ATOM 130 O TYR A 9 -6.927 -25.065 -6.178 1.00 71.21 O ATOM 131 CB TYR A 9 -3.971 -25.295 -5.746 1.00 45.13 C ATOM 132 CG TYR A 9 -2.507 -24.944 -5.602 1.00 62.13 C ATOM 133 CD1 TYR A 9 -1.565 -25.426 -6.503 1.00 30.40 C ATOM 134 CD2 TYR A 9 -2.065 -24.132 -4.565 1.00 54.55 C ATOM 135 CE1 TYR A 9 -0.226 -25.109 -6.375 1.00 75.22 C ATOM 136 CE2 TYR A 9 -0.729 -23.808 -4.431 1.00 13.03 C ATOM 137 CZ TYR A 9 0.186 -24.299 -5.338 1.00 23.32 C ATOM 138 OH TYR A 9 1.518 -23.980 -5.206 1.00 64.52 O ATOM 0 H TYR A 9 -5.390 -22.888 -5.694 1.00 22.43 H new ATOM 0 HA TYR A 9 -4.120 -24.576 -7.766 1.00 62.42 H new ATOM 0 HB2 TYR A 9 -4.473 -25.123 -4.794 1.00 45.13 H new ATOM 0 HB3 TYR A 9 -4.061 -26.359 -5.966 1.00 45.13 H new ATOM 0 HD1 TYR A 9 -1.885 -26.059 -7.317 1.00 30.40 H new ATOM 0 HD2 TYR A 9 -2.778 -23.747 -3.851 1.00 54.55 H new ATOM 0 HE1 TYR A 9 0.493 -25.493 -7.083 1.00 75.22 H new ATOM 0 HE2 TYR A 9 -0.403 -23.174 -3.620 1.00 13.03 H new ATOM 0 HH TYR A 9 1.640 -23.401 -4.425 1.00 64.52 H new ATOM 148 N LEU A 10 -6.310 -25.575 -8.281 1.00 33.31 N ATOM 149 CA LEU A 10 -7.600 -26.157 -8.635 1.00 34.01 C ATOM 150 C LEU A 10 -7.597 -27.666 -8.413 1.00 23.12 C ATOM 151 O LEU A 10 -6.609 -28.344 -8.699 1.00 21.21 O ATOM 152 CB LEU A 10 -7.939 -25.846 -10.094 1.00 14.43 C ATOM 153 CG LEU A 10 -9.410 -25.554 -10.393 1.00 51.35 C ATOM 154 CD1 LEU A 10 -10.267 -26.776 -10.104 1.00 22.42 C ATOM 155 CD2 LEU A 10 -9.892 -24.359 -9.584 1.00 53.54 C ATOM 0 H LEU A 10 -5.620 -25.590 -9.032 1.00 33.31 H new ATOM 0 HA LEU A 10 -8.359 -25.715 -7.989 1.00 34.01 H new ATOM 0 HB2 LEU A 10 -7.347 -24.986 -10.408 1.00 14.43 H new ATOM 0 HB3 LEU A 10 -7.625 -26.691 -10.707 1.00 14.43 H new ATOM 0 HG LEU A 10 -9.504 -25.312 -11.452 1.00 51.35 H new ATOM 0 HD11 LEU A 10 -11.310 -26.549 -10.323 1.00 22.42 H new ATOM 0 HD12 LEU A 10 -9.938 -27.607 -10.728 1.00 22.42 H new ATOM 0 HD13 LEU A 10 -10.168 -27.050 -9.054 1.00 22.42 H new ATOM 0 HD21 LEU A 10 -10.941 -24.166 -9.810 1.00 53.54 H new ATOM 0 HD22 LEU A 10 -9.783 -24.572 -8.521 1.00 53.54 H new ATOM 0 HD23 LEU A 10 -9.298 -23.482 -9.841 1.00 53.54 H new ATOM 167 N LEU A 11 -8.708 -28.186 -7.903 1.00 64.41 N ATOM 168 CA LEU A 11 -8.834 -29.617 -7.645 1.00 0.44 C ATOM 169 C LEU A 11 -10.038 -30.198 -8.378 1.00 33.20 C ATOM 170 O LEU A 11 -11.183 -29.872 -8.068 1.00 74.23 O ATOM 171 CB LEU A 11 -8.964 -29.874 -6.142 1.00 53.33 C ATOM 172 CG LEU A 11 -7.938 -29.175 -5.250 1.00 50.41 C ATOM 173 CD1 LEU A 11 -8.542 -28.854 -3.892 1.00 20.13 C ATOM 174 CD2 LEU A 11 -6.693 -30.036 -5.093 1.00 15.03 C ATOM 0 H LEU A 11 -9.534 -27.639 -7.660 1.00 64.41 H new ATOM 0 HA LEU A 11 -7.935 -30.109 -8.015 1.00 0.44 H new ATOM 0 HB2 LEU A 11 -9.960 -29.565 -5.826 1.00 53.33 H new ATOM 0 HB3 LEU A 11 -8.893 -30.948 -5.970 1.00 53.33 H new ATOM 0 HG LEU A 11 -7.649 -28.238 -5.726 1.00 50.41 H new ATOM 0 HD11 LEU A 11 -7.797 -28.357 -3.271 1.00 20.13 H new ATOM 0 HD12 LEU A 11 -9.402 -28.198 -4.022 1.00 20.13 H new ATOM 0 HD13 LEU A 11 -8.860 -29.777 -3.408 1.00 20.13 H new ATOM 0 HD21 LEU A 11 -5.974 -29.523 -4.455 1.00 15.03 H new ATOM 0 HD22 LEU A 11 -6.965 -30.989 -4.640 1.00 15.03 H new ATOM 0 HD23 LEU A 11 -6.248 -30.214 -6.072 1.00 15.03 H new ATOM 186 N GLY A 12 -9.771 -31.064 -9.351 1.00 41.34 N ATOM 187 CA GLY A 12 -10.843 -31.679 -10.112 1.00 43.23 C ATOM 188 C GLY A 12 -11.104 -33.111 -9.692 1.00 31.44 C ATOM 189 O GLY A 12 -11.677 -33.361 -8.631 1.00 3.44 O ATOM 0 H GLY A 12 -8.831 -31.351 -9.626 1.00 41.34 H new ATOM 0 HA2 GLY A 12 -11.755 -31.095 -9.987 1.00 43.23 H new ATOM 0 HA3 GLY A 12 -10.592 -31.655 -11.172 1.00 43.23 H new ATOM 193 N LYS A 13 -10.685 -34.057 -10.526 1.00 33.02 N ATOM 194 CA LYS A 13 -10.877 -35.473 -10.236 1.00 71.23 C ATOM 195 C LYS A 13 -9.697 -36.032 -9.447 1.00 53.22 C ATOM 196 O LYS A 13 -9.879 -36.667 -8.409 1.00 50.01 O ATOM 197 CB LYS A 13 -11.054 -36.261 -11.536 1.00 61.21 C ATOM 198 CG LYS A 13 -11.233 -37.754 -11.323 1.00 22.44 C ATOM 199 CD LYS A 13 -9.957 -38.519 -11.634 1.00 52.00 C ATOM 200 CE LYS A 13 -10.057 -39.251 -12.964 1.00 23.04 C ATOM 201 NZ LYS A 13 -10.423 -40.683 -12.782 1.00 53.12 N ATOM 0 H LYS A 13 -10.210 -33.868 -11.409 1.00 33.02 H new ATOM 0 HA LYS A 13 -11.777 -35.575 -9.630 1.00 71.23 H new ATOM 0 HB2 LYS A 13 -11.920 -35.873 -12.071 1.00 61.21 H new ATOM 0 HB3 LYS A 13 -10.185 -36.095 -12.173 1.00 61.21 H new ATOM 0 HG2 LYS A 13 -11.529 -37.942 -10.291 1.00 22.44 H new ATOM 0 HG3 LYS A 13 -12.041 -38.119 -11.958 1.00 22.44 H new ATOM 0 HD2 LYS A 13 -9.114 -37.828 -11.660 1.00 52.00 H new ATOM 0 HD3 LYS A 13 -9.757 -39.235 -10.837 1.00 52.00 H new ATOM 0 HE2 LYS A 13 -10.802 -38.763 -13.592 1.00 23.04 H new ATOM 0 HE3 LYS A 13 -9.104 -39.183 -13.488 1.00 23.04 H new ATOM 0 HZ1 LYS A 13 -10.481 -41.147 -13.711 1.00 53.12 H new ATOM 0 HZ2 LYS A 13 -9.699 -41.155 -12.204 1.00 53.12 H new ATOM 0 HZ3 LYS A 13 -11.345 -40.748 -12.304 1.00 53.12 H new ATOM 215 N GLU A 14 -8.489 -35.789 -9.946 1.00 73.22 N ATOM 216 CA GLU A 14 -7.281 -36.268 -9.286 1.00 65.31 C ATOM 217 C GLU A 14 -7.119 -35.624 -7.912 1.00 41.34 C ATOM 218 O GLU A 14 -6.374 -36.119 -7.067 1.00 72.13 O ATOM 219 CB GLU A 14 -6.051 -35.973 -10.148 1.00 30.32 C ATOM 220 CG GLU A 14 -6.126 -36.575 -11.541 1.00 43.11 C ATOM 221 CD GLU A 14 -5.724 -38.037 -11.567 1.00 53.05 C ATOM 222 OE1 GLU A 14 -6.489 -38.871 -11.039 1.00 31.11 O ATOM 223 OE2 GLU A 14 -4.646 -38.347 -12.116 1.00 33.11 O ATOM 0 H GLU A 14 -8.321 -35.264 -10.804 1.00 73.22 H new ATOM 0 HA GLU A 14 -7.373 -37.346 -9.154 1.00 65.31 H new ATOM 0 HB2 GLU A 14 -5.928 -34.893 -10.234 1.00 30.32 H new ATOM 0 HB3 GLU A 14 -5.164 -36.355 -9.643 1.00 30.32 H new ATOM 0 HG2 GLU A 14 -7.142 -36.475 -11.922 1.00 43.11 H new ATOM 0 HG3 GLU A 14 -5.477 -36.012 -12.212 1.00 43.11 H new ATOM 230 N GLU A 15 -7.822 -34.516 -7.699 1.00 1.14 N ATOM 231 CA GLU A 15 -7.755 -33.803 -6.428 1.00 50.24 C ATOM 232 C GLU A 15 -6.322 -33.385 -6.114 1.00 5.31 C ATOM 233 O GLU A 15 -5.945 -33.248 -4.950 1.00 42.14 O ATOM 234 CB GLU A 15 -8.303 -34.677 -5.298 1.00 43.21 C ATOM 235 CG GLU A 15 -9.820 -34.750 -5.266 1.00 20.20 C ATOM 236 CD GLU A 15 -10.347 -35.364 -3.984 1.00 34.42 C ATOM 237 OE1 GLU A 15 -9.653 -35.267 -2.951 1.00 5.05 O ATOM 238 OE2 GLU A 15 -11.454 -35.942 -4.013 1.00 62.34 O ATOM 0 H GLU A 15 -8.443 -34.093 -8.389 1.00 1.14 H new ATOM 0 HA GLU A 15 -8.367 -32.905 -6.512 1.00 50.24 H new ATOM 0 HB2 GLU A 15 -7.901 -35.685 -5.402 1.00 43.21 H new ATOM 0 HB3 GLU A 15 -7.946 -34.289 -4.344 1.00 43.21 H new ATOM 0 HG2 GLU A 15 -10.231 -33.747 -5.380 1.00 20.20 H new ATOM 0 HG3 GLU A 15 -10.170 -35.336 -6.116 1.00 20.20 H new ATOM 245 N ALA A 16 -5.527 -33.184 -7.160 1.00 61.11 N ATOM 246 CA ALA A 16 -4.136 -32.780 -6.997 1.00 21.54 C ATOM 247 C ALA A 16 -3.922 -31.346 -7.466 1.00 42.50 C ATOM 248 O ALA A 16 -3.756 -30.435 -6.655 1.00 21.34 O ATOM 249 CB ALA A 16 -3.219 -33.728 -7.755 1.00 63.41 C ATOM 0 H ALA A 16 -5.823 -33.294 -8.130 1.00 61.11 H new ATOM 0 HA ALA A 16 -3.892 -32.827 -5.936 1.00 21.54 H new ATOM 0 HB1 ALA A 16 -2.183 -33.414 -7.625 1.00 63.41 H new ATOM 0 HB2 ALA A 16 -3.343 -34.740 -7.370 1.00 63.41 H new ATOM 0 HB3 ALA A 16 -3.473 -33.710 -8.815 1.00 63.41 H new ATOM 255 N ALA A 17 -3.926 -31.151 -8.781 1.00 20.13 N ATOM 256 CA ALA A 17 -3.734 -29.826 -9.358 1.00 25.44 C ATOM 257 C ALA A 17 -4.144 -29.802 -10.826 1.00 34.11 C ATOM 258 O ALA A 17 -3.461 -30.366 -11.681 1.00 34.32 O ATOM 259 CB ALA A 17 -2.284 -29.390 -9.206 1.00 22.21 C ATOM 0 H ALA A 17 -4.060 -31.894 -9.467 1.00 20.13 H new ATOM 0 HA ALA A 17 -4.372 -29.126 -8.818 1.00 25.44 H new ATOM 0 HB1 ALA A 17 -2.155 -28.399 -9.641 1.00 22.21 H new ATOM 0 HB2 ALA A 17 -2.022 -29.359 -8.148 1.00 22.21 H new ATOM 0 HB3 ALA A 17 -1.635 -30.099 -9.720 1.00 22.21 H new ATOM 265 N ARG A 18 -5.264 -29.146 -11.111 1.00 54.04 N ATOM 266 CA ARG A 18 -5.767 -29.050 -12.477 1.00 21.34 C ATOM 267 C ARG A 18 -5.194 -27.825 -13.182 1.00 42.32 C ATOM 268 O ARG A 18 -4.864 -27.877 -14.366 1.00 44.04 O ATOM 269 CB ARG A 18 -7.295 -28.984 -12.477 1.00 13.34 C ATOM 270 CG ARG A 18 -7.964 -30.344 -12.590 1.00 51.15 C ATOM 271 CD ARG A 18 -9.386 -30.223 -13.117 1.00 22.34 C ATOM 272 NE ARG A 18 -9.818 -31.434 -13.809 1.00 22.41 N ATOM 273 CZ ARG A 18 -9.489 -31.720 -15.064 1.00 33.31 C ATOM 274 NH1 ARG A 18 -8.729 -30.887 -15.760 1.00 1.40 N ATOM 275 NH2 ARG A 18 -9.921 -32.843 -15.625 1.00 13.42 N ATOM 0 H ARG A 18 -5.840 -28.673 -10.415 1.00 54.04 H new ATOM 0 HA ARG A 18 -5.449 -29.941 -13.018 1.00 21.34 H new ATOM 0 HB2 ARG A 18 -7.629 -28.499 -11.560 1.00 13.34 H new ATOM 0 HB3 ARG A 18 -7.623 -28.357 -13.306 1.00 13.34 H new ATOM 0 HG2 ARG A 18 -7.382 -30.983 -13.254 1.00 51.15 H new ATOM 0 HG3 ARG A 18 -7.977 -30.827 -11.613 1.00 51.15 H new ATOM 0 HD2 ARG A 18 -10.064 -30.018 -12.288 1.00 22.34 H new ATOM 0 HD3 ARG A 18 -9.449 -29.374 -13.798 1.00 22.34 H new ATOM 0 HE ARG A 18 -10.404 -32.096 -13.301 1.00 22.41 H new ATOM 0 HH11 ARG A 18 -8.395 -30.023 -15.332 1.00 1.40 H new ATOM 0 HH12 ARG A 18 -8.478 -31.109 -16.723 1.00 1.40 H new ATOM 0 HH21 ARG A 18 -10.506 -33.487 -15.092 1.00 13.42 H new ATOM 0 HH22 ARG A 18 -9.668 -33.062 -16.589 1.00 13.42 H new ATOM 289 N GLU A 19 -5.080 -26.724 -12.446 1.00 44.30 N ATOM 290 CA GLU A 19 -4.548 -25.485 -13.003 1.00 22.34 C ATOM 291 C GLU A 19 -3.751 -24.715 -11.953 1.00 74.01 C ATOM 292 O GLU A 19 -4.006 -24.835 -10.754 1.00 63.33 O ATOM 293 CB GLU A 19 -5.684 -24.612 -13.539 1.00 1.10 C ATOM 294 CG GLU A 19 -5.209 -23.305 -14.153 1.00 35.35 C ATOM 295 CD GLU A 19 -6.326 -22.544 -14.841 1.00 32.54 C ATOM 296 OE1 GLU A 19 -7.490 -22.988 -14.751 1.00 61.12 O ATOM 297 OE2 GLU A 19 -6.036 -21.505 -15.468 1.00 44.44 O ATOM 0 H GLU A 19 -5.348 -26.664 -11.464 1.00 44.30 H new ATOM 0 HA GLU A 19 -3.880 -25.743 -13.824 1.00 22.34 H new ATOM 0 HB2 GLU A 19 -6.241 -25.175 -14.288 1.00 1.10 H new ATOM 0 HB3 GLU A 19 -6.376 -24.392 -12.726 1.00 1.10 H new ATOM 0 HG2 GLU A 19 -4.774 -22.679 -13.374 1.00 35.35 H new ATOM 0 HG3 GLU A 19 -4.418 -23.513 -14.874 1.00 35.35 H new ATOM 304 N ILE A 20 -2.787 -23.925 -12.413 1.00 72.00 N ATOM 305 CA ILE A 20 -1.954 -23.135 -11.515 1.00 31.11 C ATOM 306 C ILE A 20 -1.726 -21.732 -12.068 1.00 35.33 C ATOM 307 O ILE A 20 -1.480 -21.557 -13.261 1.00 4.20 O ATOM 308 CB ILE A 20 -0.590 -23.808 -11.275 1.00 44.21 C ATOM 309 CG1 ILE A 20 -0.782 -25.272 -10.875 1.00 63.11 C ATOM 310 CG2 ILE A 20 0.190 -23.059 -10.205 1.00 15.54 C ATOM 311 CD1 ILE A 20 0.518 -26.009 -10.636 1.00 53.33 C ATOM 0 H ILE A 20 -2.563 -23.815 -13.402 1.00 72.00 H new ATOM 0 HA ILE A 20 -2.488 -23.067 -10.567 1.00 31.11 H new ATOM 0 HB ILE A 20 -0.018 -23.776 -12.203 1.00 44.21 H new ATOM 0 HG12 ILE A 20 -1.387 -25.316 -9.970 1.00 63.11 H new ATOM 0 HG13 ILE A 20 -1.342 -25.784 -11.658 1.00 63.11 H new ATOM 0 HG21 ILE A 20 1.152 -23.547 -10.047 1.00 15.54 H new ATOM 0 HG22 ILE A 20 0.354 -22.031 -10.527 1.00 15.54 H new ATOM 0 HG23 ILE A 20 -0.376 -23.062 -9.273 1.00 15.54 H new ATOM 0 HD11 ILE A 20 0.305 -27.041 -10.356 1.00 53.33 H new ATOM 0 HD12 ILE A 20 1.116 -25.996 -11.547 1.00 53.33 H new ATOM 0 HD13 ILE A 20 1.070 -25.522 -9.832 1.00 53.33 H new ATOM 323 N ARG A 21 -1.810 -20.736 -11.192 1.00 25.33 N ATOM 324 CA ARG A 21 -1.612 -19.348 -11.592 1.00 21.42 C ATOM 325 C ARG A 21 -1.676 -18.420 -10.383 1.00 1.42 C ATOM 326 O ARG A 21 -2.407 -18.679 -9.427 1.00 4.25 O ATOM 327 CB ARG A 21 -2.667 -18.937 -12.621 1.00 5.12 C ATOM 328 CG ARG A 21 -2.176 -17.894 -13.612 1.00 60.42 C ATOM 329 CD ARG A 21 -1.229 -18.501 -14.636 1.00 20.23 C ATOM 330 NE ARG A 21 -1.200 -17.733 -15.877 1.00 44.23 N ATOM 331 CZ ARG A 21 -0.642 -18.172 -17.000 1.00 41.31 C ATOM 332 NH1 ARG A 21 -0.071 -19.368 -17.037 1.00 45.51 N ATOM 333 NH2 ARG A 21 -0.655 -17.414 -18.089 1.00 54.13 N ATOM 0 H ARG A 21 -2.014 -20.864 -10.201 1.00 25.33 H new ATOM 0 HA ARG A 21 -0.623 -19.262 -12.042 1.00 21.42 H new ATOM 0 HB2 ARG A 21 -2.993 -19.822 -13.169 1.00 5.12 H new ATOM 0 HB3 ARG A 21 -3.540 -18.547 -12.098 1.00 5.12 H new ATOM 0 HG2 ARG A 21 -3.028 -17.447 -14.123 1.00 60.42 H new ATOM 0 HG3 ARG A 21 -1.669 -17.092 -13.076 1.00 60.42 H new ATOM 0 HD2 ARG A 21 -0.224 -18.550 -14.216 1.00 20.23 H new ATOM 0 HD3 ARG A 21 -1.535 -19.525 -14.850 1.00 20.23 H new ATOM 0 HE ARG A 21 -1.632 -16.809 -15.882 1.00 44.23 H new ATOM 0 HH11 ARG A 21 -0.059 -19.954 -16.202 1.00 45.51 H new ATOM 0 HH12 ARG A 21 0.357 -19.702 -17.901 1.00 45.51 H new ATOM 0 HH21 ARG A 21 -1.094 -16.493 -18.064 1.00 54.13 H new ATOM 0 HH22 ARG A 21 -0.226 -17.752 -18.951 1.00 54.13 H new ATOM 347 N ARG A 22 -0.906 -17.338 -10.433 1.00 3.31 N ATOM 348 CA ARG A 22 -0.874 -16.372 -9.342 1.00 5.45 C ATOM 349 C ARG A 22 -0.906 -14.944 -9.878 1.00 42.44 C ATOM 350 O ARG A 22 -0.675 -14.710 -11.065 1.00 4.11 O ATOM 351 CB ARG A 22 0.378 -16.578 -8.486 1.00 72.11 C ATOM 352 CG ARG A 22 1.677 -16.387 -9.251 1.00 41.22 C ATOM 353 CD ARG A 22 2.242 -17.715 -9.730 1.00 3.21 C ATOM 354 NE ARG A 22 2.987 -17.575 -10.978 1.00 44.51 N ATOM 355 CZ ARG A 22 4.212 -17.065 -11.050 1.00 11.42 C ATOM 356 NH1 ARG A 22 4.826 -16.649 -9.951 1.00 30.35 N ATOM 357 NH2 ARG A 22 4.825 -16.970 -12.223 1.00 11.12 N ATOM 0 H ARG A 22 -0.296 -17.108 -11.218 1.00 3.31 H new ATOM 0 HA ARG A 22 -1.759 -16.530 -8.725 1.00 5.45 H new ATOM 0 HB2 ARG A 22 0.354 -15.881 -7.648 1.00 72.11 H new ATOM 0 HB3 ARG A 22 0.359 -17.583 -8.065 1.00 72.11 H new ATOM 0 HG2 ARG A 22 1.504 -15.734 -10.107 1.00 41.22 H new ATOM 0 HG3 ARG A 22 2.407 -15.889 -8.612 1.00 41.22 H new ATOM 0 HD2 ARG A 22 2.896 -18.129 -8.962 1.00 3.21 H new ATOM 0 HD3 ARG A 22 1.428 -18.425 -9.872 1.00 3.21 H new ATOM 0 HE ARG A 22 2.543 -17.886 -11.842 1.00 44.51 H new ATOM 0 HH11 ARG A 22 4.358 -16.720 -9.047 1.00 30.35 H new ATOM 0 HH12 ARG A 22 5.766 -16.258 -10.009 1.00 30.35 H new ATOM 0 HH21 ARG A 22 4.356 -17.289 -13.071 1.00 11.12 H new ATOM 0 HH22 ARG A 22 5.765 -16.578 -12.277 1.00 11.12 H new ATOM 371 N PHE A 23 -1.195 -13.992 -8.997 1.00 4.01 N ATOM 372 CA PHE A 23 -1.259 -12.587 -9.382 1.00 63.01 C ATOM 373 C PHE A 23 -0.853 -11.685 -8.220 1.00 62.30 C ATOM 374 O PHE A 23 -0.953 -12.072 -7.056 1.00 23.32 O ATOM 375 CB PHE A 23 -2.670 -12.229 -9.851 1.00 54.13 C ATOM 376 CG PHE A 23 -3.708 -12.346 -8.772 1.00 54.40 C ATOM 377 CD1 PHE A 23 -3.951 -11.290 -7.908 1.00 43.33 C ATOM 378 CD2 PHE A 23 -4.442 -13.512 -8.621 1.00 4.40 C ATOM 379 CE1 PHE A 23 -4.906 -11.394 -6.914 1.00 45.33 C ATOM 380 CE2 PHE A 23 -5.398 -13.621 -7.629 1.00 61.22 C ATOM 381 CZ PHE A 23 -5.629 -12.562 -6.774 1.00 53.50 C ATOM 0 H PHE A 23 -1.389 -14.168 -8.011 1.00 4.01 H new ATOM 0 HA PHE A 23 -0.559 -12.429 -10.203 1.00 63.01 H new ATOM 0 HB2 PHE A 23 -2.669 -11.208 -10.234 1.00 54.13 H new ATOM 0 HB3 PHE A 23 -2.945 -12.880 -10.681 1.00 54.13 H new ATOM 0 HD1 PHE A 23 -3.387 -10.375 -8.013 1.00 43.33 H new ATOM 0 HD2 PHE A 23 -4.265 -14.344 -9.286 1.00 4.40 H new ATOM 0 HE1 PHE A 23 -5.086 -10.563 -6.248 1.00 45.33 H new ATOM 0 HE2 PHE A 23 -5.964 -14.534 -7.523 1.00 61.22 H new ATOM 0 HZ PHE A 23 -6.374 -12.647 -5.997 1.00 53.50 H new ATOM 391 N SER A 24 -0.394 -10.481 -8.546 1.00 22.15 N ATOM 392 CA SER A 24 0.032 -9.525 -7.530 1.00 72.10 C ATOM 393 C SER A 24 -1.173 -8.863 -6.869 1.00 1.43 C ATOM 394 O SER A 24 -1.898 -8.095 -7.501 1.00 15.31 O ATOM 395 CB SER A 24 0.938 -8.459 -8.150 1.00 75.43 C ATOM 396 OG SER A 24 2.300 -8.841 -8.075 1.00 21.34 O ATOM 0 H SER A 24 -0.308 -10.144 -9.505 1.00 22.15 H new ATOM 0 HA SER A 24 0.591 -10.067 -6.767 1.00 72.10 H new ATOM 0 HB2 SER A 24 0.658 -8.301 -9.192 1.00 75.43 H new ATOM 0 HB3 SER A 24 0.794 -7.510 -7.634 1.00 75.43 H new ATOM 0 HG SER A 24 2.858 -8.144 -8.479 1.00 21.34 H new ATOM 402 N PHE A 25 -1.380 -9.166 -5.591 1.00 44.44 N ATOM 403 CA PHE A 25 -2.497 -8.601 -4.843 1.00 24.21 C ATOM 404 C PHE A 25 -2.021 -7.489 -3.913 1.00 13.30 C ATOM 405 O PHE A 25 -0.921 -7.552 -3.363 1.00 71.32 O ATOM 406 CB PHE A 25 -3.199 -9.693 -4.033 1.00 50.00 C ATOM 407 CG PHE A 25 -4.423 -9.209 -3.310 1.00 0.15 C ATOM 408 CD1 PHE A 25 -5.572 -8.877 -4.010 1.00 22.14 C ATOM 409 CD2 PHE A 25 -4.425 -9.086 -1.929 1.00 70.34 C ATOM 410 CE1 PHE A 25 -6.699 -8.431 -3.346 1.00 51.32 C ATOM 411 CE2 PHE A 25 -5.550 -8.641 -1.260 1.00 44.25 C ATOM 412 CZ PHE A 25 -6.688 -8.314 -1.970 1.00 14.41 C ATOM 0 H PHE A 25 -0.789 -9.799 -5.052 1.00 44.44 H new ATOM 0 HA PHE A 25 -3.203 -8.176 -5.557 1.00 24.21 H new ATOM 0 HB2 PHE A 25 -3.480 -10.507 -4.702 1.00 50.00 H new ATOM 0 HB3 PHE A 25 -2.497 -10.104 -3.308 1.00 50.00 H new ATOM 0 HD1 PHE A 25 -5.587 -8.968 -5.086 1.00 22.14 H new ATOM 0 HD2 PHE A 25 -3.537 -9.341 -1.369 1.00 70.34 H new ATOM 0 HE1 PHE A 25 -7.588 -8.174 -3.903 1.00 51.32 H new ATOM 0 HE2 PHE A 25 -5.539 -8.549 -0.184 1.00 44.25 H new ATOM 0 HZ PHE A 25 -7.569 -7.967 -1.450 1.00 14.41 H new ATOM 598 N GLY A 40 -13.980 -6.781 1.134 1.00 22.01 N ATOM 599 CA GLY A 40 -12.997 -6.122 0.294 1.00 54.23 C ATOM 600 C GLY A 40 -12.103 -7.106 -0.434 1.00 54.03 C ATOM 601 O GLY A 40 -12.260 -7.352 -1.631 1.00 3.05 O ATOM 0 HA2 GLY A 40 -13.509 -5.494 -0.435 1.00 54.23 H new ATOM 0 HA3 GLY A 40 -12.383 -5.463 0.908 1.00 54.23 H new ATOM 605 N PRO A 41 -11.139 -7.687 0.295 1.00 51.11 N ATOM 606 CA PRO A 41 -10.197 -8.658 -0.269 1.00 22.12 C ATOM 607 C PRO A 41 -10.868 -9.983 -0.616 1.00 42.52 C ATOM 608 O PRO A 41 -10.447 -10.678 -1.541 1.00 75.35 O ATOM 609 CB PRO A 41 -9.175 -8.854 0.854 1.00 35.43 C ATOM 610 CG PRO A 41 -9.916 -8.518 2.103 1.00 61.34 C ATOM 611 CD PRO A 41 -10.895 -7.441 1.726 1.00 1.20 C ATOM 0 HA PRO A 41 -9.761 -8.307 -1.204 1.00 22.12 H new ATOM 0 HB2 PRO A 41 -8.804 -9.879 0.877 1.00 35.43 H new ATOM 0 HB3 PRO A 41 -8.310 -8.205 0.720 1.00 35.43 H new ATOM 0 HG2 PRO A 41 -10.432 -9.393 2.498 1.00 61.34 H new ATOM 0 HG3 PRO A 41 -9.235 -8.171 2.880 1.00 61.34 H new ATOM 0 HD2 PRO A 41 -11.814 -7.512 2.308 1.00 1.20 H new ATOM 0 HD3 PRO A 41 -10.484 -6.446 1.898 1.00 1.20 H new ATOM 619 N CYS A 42 -11.912 -10.325 0.130 1.00 1.12 N ATOM 620 CA CYS A 42 -12.641 -11.567 -0.099 1.00 72.21 C ATOM 621 C CYS A 42 -13.298 -11.566 -1.476 1.00 2.02 C ATOM 622 O CYS A 42 -13.066 -12.463 -2.285 1.00 24.30 O ATOM 623 CB CYS A 42 -13.701 -11.768 0.985 1.00 72.12 C ATOM 624 SG CYS A 42 -14.789 -13.184 0.700 1.00 21.21 S ATOM 0 H CYS A 42 -12.273 -9.760 0.899 1.00 1.12 H new ATOM 0 HA CYS A 42 -11.928 -12.391 -0.057 1.00 72.21 H new ATOM 0 HB2 CYS A 42 -13.203 -11.894 1.946 1.00 72.12 H new ATOM 0 HB3 CYS A 42 -14.308 -10.866 1.056 1.00 72.12 H new ATOM 0 HG CYS A 42 -15.956 -12.946 1.221 1.00 21.21 H new ATOM 630 N GLU A 43 -14.120 -10.553 -1.733 1.00 23.21 N ATOM 631 CA GLU A 43 -14.812 -10.438 -3.011 1.00 42.41 C ATOM 632 C GLU A 43 -13.815 -10.329 -4.162 1.00 32.24 C ATOM 633 O GLU A 43 -13.959 -10.997 -5.186 1.00 25.01 O ATOM 634 CB GLU A 43 -15.737 -9.219 -3.007 1.00 11.11 C ATOM 635 CG GLU A 43 -15.033 -7.921 -2.649 1.00 23.12 C ATOM 636 CD GLU A 43 -15.998 -6.770 -2.446 1.00 15.12 C ATOM 637 OE1 GLU A 43 -17.171 -7.033 -2.106 1.00 72.13 O ATOM 638 OE2 GLU A 43 -15.582 -5.607 -2.626 1.00 53.45 O ATOM 0 H GLU A 43 -14.323 -9.801 -1.074 1.00 23.21 H new ATOM 0 HA GLU A 43 -15.409 -11.339 -3.154 1.00 42.41 H new ATOM 0 HB2 GLU A 43 -16.192 -9.116 -3.992 1.00 11.11 H new ATOM 0 HB3 GLU A 43 -16.547 -9.391 -2.298 1.00 11.11 H new ATOM 0 HG2 GLU A 43 -14.451 -8.067 -1.739 1.00 23.12 H new ATOM 0 HG3 GLU A 43 -14.329 -7.664 -3.440 1.00 23.12 H new ATOM 645 N ARG A 44 -12.806 -9.483 -3.985 1.00 0.24 N ATOM 646 CA ARG A 44 -11.786 -9.285 -5.008 1.00 34.02 C ATOM 647 C ARG A 44 -11.029 -10.582 -5.279 1.00 12.22 C ATOM 648 O ARG A 44 -10.915 -11.019 -6.425 1.00 3.32 O ATOM 649 CB ARG A 44 -10.808 -8.191 -4.578 1.00 4.21 C ATOM 650 CG ARG A 44 -11.248 -6.791 -4.973 1.00 1.55 C ATOM 651 CD ARG A 44 -10.576 -6.337 -6.259 1.00 61.21 C ATOM 652 NE ARG A 44 -11.362 -6.687 -7.440 1.00 4.24 N ATOM 653 CZ ARG A 44 -12.491 -6.074 -7.779 1.00 25.43 C ATOM 654 NH1 ARG A 44 -12.963 -5.087 -7.031 1.00 53.32 N ATOM 655 NH2 ARG A 44 -13.149 -6.450 -8.868 1.00 42.40 N ATOM 0 H ARG A 44 -12.673 -8.923 -3.143 1.00 0.24 H new ATOM 0 HA ARG A 44 -12.284 -8.976 -5.927 1.00 34.02 H new ATOM 0 HB2 ARG A 44 -10.683 -8.232 -3.496 1.00 4.21 H new ATOM 0 HB3 ARG A 44 -9.832 -8.394 -5.019 1.00 4.21 H new ATOM 0 HG2 ARG A 44 -12.330 -6.771 -5.100 1.00 1.55 H new ATOM 0 HG3 ARG A 44 -11.009 -6.093 -4.170 1.00 1.55 H new ATOM 0 HD2 ARG A 44 -10.428 -5.258 -6.229 1.00 61.21 H new ATOM 0 HD3 ARG A 44 -9.589 -6.793 -6.333 1.00 61.21 H new ATOM 0 HE ARG A 44 -11.026 -7.443 -8.037 1.00 4.24 H new ATOM 0 HH11 ARG A 44 -12.459 -4.796 -6.193 1.00 53.32 H new ATOM 0 HH12 ARG A 44 -13.830 -4.618 -7.293 1.00 53.32 H new ATOM 0 HH21 ARG A 44 -12.788 -7.210 -9.445 1.00 42.40 H new ATOM 0 HH22 ARG A 44 -14.016 -5.979 -9.128 1.00 42.40 H new ATOM 669 N LEU A 45 -10.514 -11.192 -4.218 1.00 23.44 N ATOM 670 CA LEU A 45 -9.767 -12.439 -4.340 1.00 64.43 C ATOM 671 C LEU A 45 -10.575 -13.486 -5.102 1.00 5.55 C ATOM 672 O LEU A 45 -10.133 -13.998 -6.131 1.00 20.53 O ATOM 673 CB LEU A 45 -9.396 -12.973 -2.955 1.00 60.25 C ATOM 674 CG LEU A 45 -8.770 -14.368 -2.919 1.00 45.42 C ATOM 675 CD1 LEU A 45 -9.850 -15.437 -2.880 1.00 22.23 C ATOM 676 CD2 LEU A 45 -7.856 -14.573 -4.119 1.00 33.31 C ATOM 0 H LEU A 45 -10.600 -10.844 -3.263 1.00 23.44 H new ATOM 0 HA LEU A 45 -8.854 -12.233 -4.899 1.00 64.43 H new ATOM 0 HB2 LEU A 45 -8.701 -12.273 -2.492 1.00 60.25 H new ATOM 0 HB3 LEU A 45 -10.295 -12.984 -2.339 1.00 60.25 H new ATOM 0 HG LEU A 45 -8.171 -14.454 -2.012 1.00 45.42 H new ATOM 0 HD11 LEU A 45 -9.385 -16.423 -2.855 1.00 22.23 H new ATOM 0 HD12 LEU A 45 -10.464 -15.302 -1.989 1.00 22.23 H new ATOM 0 HD13 LEU A 45 -10.477 -15.354 -3.768 1.00 22.23 H new ATOM 0 HD21 LEU A 45 -7.419 -15.571 -4.077 1.00 33.31 H new ATOM 0 HD22 LEU A 45 -8.433 -14.467 -5.038 1.00 33.31 H new ATOM 0 HD23 LEU A 45 -7.061 -13.828 -4.102 1.00 33.31 H new ATOM 688 N LEU A 46 -11.761 -13.796 -4.591 1.00 23.24 N ATOM 689 CA LEU A 46 -12.633 -14.780 -5.223 1.00 45.14 C ATOM 690 C LEU A 46 -12.953 -14.379 -6.660 1.00 30.22 C ATOM 691 O LEU A 46 -13.301 -15.222 -7.487 1.00 42.10 O ATOM 692 CB LEU A 46 -13.927 -14.932 -4.423 1.00 73.44 C ATOM 693 CG LEU A 46 -13.777 -15.462 -2.997 1.00 25.30 C ATOM 694 CD1 LEU A 46 -15.138 -15.607 -2.335 1.00 22.33 C ATOM 695 CD2 LEU A 46 -13.037 -16.792 -2.998 1.00 33.45 C ATOM 0 H LEU A 46 -12.141 -13.380 -3.741 1.00 23.24 H new ATOM 0 HA LEU A 46 -12.110 -15.736 -5.240 1.00 45.14 H new ATOM 0 HB2 LEU A 46 -14.419 -13.960 -4.378 1.00 73.44 H new ATOM 0 HB3 LEU A 46 -14.592 -15.601 -4.970 1.00 73.44 H new ATOM 0 HG LEU A 46 -13.192 -14.744 -2.422 1.00 25.30 H new ATOM 0 HD11 LEU A 46 -15.011 -15.985 -1.321 1.00 22.33 H new ATOM 0 HD12 LEU A 46 -15.631 -14.636 -2.301 1.00 22.33 H new ATOM 0 HD13 LEU A 46 -15.749 -16.304 -2.908 1.00 22.33 H new ATOM 0 HD21 LEU A 46 -12.939 -17.155 -1.975 1.00 33.45 H new ATOM 0 HD22 LEU A 46 -13.595 -17.518 -3.589 1.00 33.45 H new ATOM 0 HD23 LEU A 46 -12.046 -16.657 -3.431 1.00 33.45 H new ATOM 707 N SER A 47 -12.831 -13.088 -6.950 1.00 15.33 N ATOM 708 CA SER A 47 -13.110 -12.575 -8.286 1.00 42.30 C ATOM 709 C SER A 47 -12.024 -13.003 -9.269 1.00 53.51 C ATOM 710 O SER A 47 -12.317 -13.495 -10.359 1.00 14.13 O ATOM 711 CB SER A 47 -13.215 -11.049 -8.258 1.00 15.23 C ATOM 712 OG SER A 47 -14.507 -10.620 -8.652 1.00 13.43 O ATOM 0 H SER A 47 -12.541 -12.378 -6.278 1.00 15.33 H new ATOM 0 HA SER A 47 -14.061 -12.991 -8.617 1.00 42.30 H new ATOM 0 HB2 SER A 47 -12.998 -10.685 -7.254 1.00 15.23 H new ATOM 0 HB3 SER A 47 -12.467 -10.617 -8.923 1.00 15.23 H new ATOM 0 HG SER A 47 -14.549 -9.641 -8.624 1.00 13.43 H new ATOM 718 N ARG A 48 -10.769 -12.811 -8.876 1.00 15.54 N ATOM 719 CA ARG A 48 -9.639 -13.175 -9.721 1.00 53.25 C ATOM 720 C ARG A 48 -9.649 -14.670 -10.028 1.00 11.40 C ATOM 721 O ARG A 48 -9.549 -15.077 -11.185 1.00 62.52 O ATOM 722 CB ARG A 48 -8.323 -12.791 -9.043 1.00 42.04 C ATOM 723 CG ARG A 48 -8.325 -11.388 -8.459 1.00 33.03 C ATOM 724 CD ARG A 48 -8.789 -10.360 -9.479 1.00 31.11 C ATOM 725 NE ARG A 48 -8.090 -9.087 -9.330 1.00 2.34 N ATOM 726 CZ ARG A 48 -8.296 -8.038 -10.119 1.00 20.14 C ATOM 727 NH1 ARG A 48 -9.177 -8.111 -11.107 1.00 2.01 N ATOM 728 NH2 ARG A 48 -7.621 -6.913 -9.919 1.00 63.44 N ATOM 0 H ARG A 48 -10.509 -12.405 -7.977 1.00 15.54 H new ATOM 0 HA ARG A 48 -9.729 -12.628 -10.660 1.00 53.25 H new ATOM 0 HB2 ARG A 48 -8.112 -13.506 -8.248 1.00 42.04 H new ATOM 0 HB3 ARG A 48 -7.513 -12.872 -9.768 1.00 42.04 H new ATOM 0 HG2 ARG A 48 -8.978 -11.357 -7.587 1.00 33.03 H new ATOM 0 HG3 ARG A 48 -7.322 -11.134 -8.116 1.00 33.03 H new ATOM 0 HD2 ARG A 48 -8.626 -10.748 -10.484 1.00 31.11 H new ATOM 0 HD3 ARG A 48 -9.862 -10.200 -9.370 1.00 31.11 H new ATOM 0 HE ARG A 48 -7.406 -8.998 -8.579 1.00 2.34 H new ATOM 0 HH11 ARG A 48 -9.698 -8.974 -11.263 1.00 2.01 H new ATOM 0 HH12 ARG A 48 -9.333 -7.304 -11.711 1.00 2.01 H new ATOM 0 HH21 ARG A 48 -6.943 -6.853 -9.159 1.00 63.44 H new ATOM 0 HH22 ARG A 48 -7.780 -6.108 -10.525 1.00 63.44 H new ATOM 742 N VAL A 49 -9.770 -15.482 -8.983 1.00 11.02 N ATOM 743 CA VAL A 49 -9.794 -16.931 -9.140 1.00 24.33 C ATOM 744 C VAL A 49 -10.808 -17.353 -10.197 1.00 31.34 C ATOM 745 O VAL A 49 -10.617 -18.350 -10.892 1.00 20.51 O ATOM 746 CB VAL A 49 -10.130 -17.634 -7.811 1.00 71.43 C ATOM 747 CG1 VAL A 49 -10.183 -19.142 -8.003 1.00 64.33 C ATOM 748 CG2 VAL A 49 -9.118 -17.260 -6.739 1.00 43.04 C ATOM 0 H VAL A 49 -9.853 -15.161 -8.018 1.00 11.02 H new ATOM 0 HA VAL A 49 -8.796 -17.231 -9.459 1.00 24.33 H new ATOM 0 HB VAL A 49 -11.114 -17.299 -7.482 1.00 71.43 H new ATOM 0 HG11 VAL A 49 -10.422 -19.621 -7.054 1.00 64.33 H new ATOM 0 HG12 VAL A 49 -10.950 -19.389 -8.737 1.00 64.33 H new ATOM 0 HG13 VAL A 49 -9.215 -19.498 -8.356 1.00 64.33 H new ATOM 0 HG21 VAL A 49 -9.371 -17.766 -5.807 1.00 43.04 H new ATOM 0 HG22 VAL A 49 -8.121 -17.564 -7.058 1.00 43.04 H new ATOM 0 HG23 VAL A 49 -9.135 -16.181 -6.583 1.00 43.04 H new ATOM 758 N ALA A 50 -11.888 -16.587 -10.312 1.00 45.42 N ATOM 759 CA ALA A 50 -12.932 -16.879 -11.286 1.00 64.32 C ATOM 760 C ALA A 50 -12.441 -16.632 -12.709 1.00 5.25 C ATOM 761 O ALA A 50 -12.553 -17.499 -13.575 1.00 24.54 O ATOM 762 CB ALA A 50 -14.170 -16.043 -11.000 1.00 42.42 C ATOM 0 H ALA A 50 -12.063 -15.759 -9.742 1.00 45.42 H new ATOM 0 HA ALA A 50 -13.191 -17.934 -11.198 1.00 64.32 H new ATOM 0 HB1 ALA A 50 -14.941 -16.272 -11.735 1.00 42.42 H new ATOM 0 HB2 ALA A 50 -14.541 -16.273 -10.001 1.00 42.42 H new ATOM 0 HB3 ALA A 50 -13.916 -14.985 -11.058 1.00 42.42 H new ATOM 768 N VAL A 51 -11.896 -15.442 -12.943 1.00 54.12 N ATOM 769 CA VAL A 51 -11.388 -15.080 -14.261 1.00 23.32 C ATOM 770 C VAL A 51 -10.121 -15.860 -14.594 1.00 4.03 C ATOM 771 O VAL A 51 -9.762 -16.014 -15.762 1.00 71.10 O ATOM 772 CB VAL A 51 -11.088 -13.572 -14.352 1.00 73.24 C ATOM 773 CG1 VAL A 51 -10.157 -13.143 -13.229 1.00 33.34 C ATOM 774 CG2 VAL A 51 -10.493 -13.229 -15.709 1.00 64.25 C ATOM 0 H VAL A 51 -11.795 -14.713 -12.237 1.00 54.12 H new ATOM 0 HA VAL A 51 -12.167 -15.332 -14.981 1.00 23.32 H new ATOM 0 HB VAL A 51 -12.025 -13.026 -14.242 1.00 73.24 H new ATOM 0 HG11 VAL A 51 -9.957 -12.075 -13.310 1.00 33.34 H new ATOM 0 HG12 VAL A 51 -10.626 -13.352 -12.268 1.00 33.34 H new ATOM 0 HG13 VAL A 51 -9.220 -13.694 -13.303 1.00 33.34 H new ATOM 0 HG21 VAL A 51 -10.287 -12.160 -15.756 1.00 64.25 H new ATOM 0 HG22 VAL A 51 -9.565 -13.784 -15.850 1.00 64.25 H new ATOM 0 HG23 VAL A 51 -11.199 -13.497 -16.494 1.00 64.25 H new ATOM 784 N LEU A 52 -9.446 -16.351 -13.560 1.00 0.31 N ATOM 785 CA LEU A 52 -8.218 -17.116 -13.742 1.00 25.22 C ATOM 786 C LEU A 52 -8.524 -18.596 -13.951 1.00 41.33 C ATOM 787 O LEU A 52 -7.798 -19.297 -14.656 1.00 24.12 O ATOM 788 CB LEU A 52 -7.300 -16.940 -12.531 1.00 24.22 C ATOM 789 CG LEU A 52 -6.787 -15.522 -12.278 1.00 31.14 C ATOM 790 CD1 LEU A 52 -6.195 -15.410 -10.881 1.00 40.23 C ATOM 791 CD2 LEU A 52 -5.758 -15.131 -13.328 1.00 61.43 C ATOM 0 H LEU A 52 -9.729 -16.233 -12.587 1.00 0.31 H new ATOM 0 HA LEU A 52 -7.713 -16.739 -14.631 1.00 25.22 H new ATOM 0 HB2 LEU A 52 -7.835 -17.275 -11.643 1.00 24.22 H new ATOM 0 HB3 LEU A 52 -6.441 -17.599 -12.653 1.00 24.22 H new ATOM 0 HG LEU A 52 -7.629 -14.834 -12.350 1.00 31.14 H new ATOM 0 HD11 LEU A 52 -5.835 -14.394 -10.719 1.00 40.23 H new ATOM 0 HD12 LEU A 52 -6.960 -15.646 -10.142 1.00 40.23 H new ATOM 0 HD13 LEU A 52 -5.365 -16.109 -10.780 1.00 40.23 H new ATOM 0 HD21 LEU A 52 -5.404 -14.119 -13.132 1.00 61.43 H new ATOM 0 HD22 LEU A 52 -4.917 -15.823 -13.289 1.00 61.43 H new ATOM 0 HD23 LEU A 52 -6.214 -15.170 -14.317 1.00 61.43 H new ATOM 803 N PHE A 53 -9.605 -19.064 -13.337 1.00 12.44 N ATOM 804 CA PHE A 53 -10.009 -20.460 -13.457 1.00 1.34 C ATOM 805 C PHE A 53 -11.409 -20.572 -14.054 1.00 4.33 C ATOM 806 O PHE A 53 -12.372 -20.936 -13.379 1.00 3.34 O ATOM 807 CB PHE A 53 -9.970 -21.143 -12.088 1.00 64.44 C ATOM 808 CG PHE A 53 -8.589 -21.235 -11.504 1.00 32.24 C ATOM 809 CD1 PHE A 53 -7.960 -20.109 -10.999 1.00 41.30 C ATOM 810 CD2 PHE A 53 -7.921 -22.448 -11.459 1.00 23.11 C ATOM 811 CE1 PHE A 53 -6.690 -20.190 -10.460 1.00 3.22 C ATOM 812 CE2 PHE A 53 -6.651 -22.535 -10.921 1.00 22.35 C ATOM 813 CZ PHE A 53 -6.034 -21.405 -10.422 1.00 10.35 C ATOM 0 H PHE A 53 -10.218 -18.497 -12.751 1.00 12.44 H new ATOM 0 HA PHE A 53 -9.307 -20.959 -14.125 1.00 1.34 H new ATOM 0 HB2 PHE A 53 -10.612 -20.594 -11.399 1.00 64.44 H new ATOM 0 HB3 PHE A 53 -10.385 -22.147 -12.179 1.00 64.44 H new ATOM 0 HD1 PHE A 53 -8.468 -19.156 -11.027 1.00 41.30 H new ATOM 0 HD2 PHE A 53 -8.398 -23.335 -11.849 1.00 23.11 H new ATOM 0 HE1 PHE A 53 -6.211 -19.304 -10.069 1.00 3.22 H new ATOM 0 HE2 PHE A 53 -6.141 -23.487 -10.891 1.00 22.35 H new ATOM 0 HZ PHE A 53 -5.041 -21.471 -10.003 1.00 10.35 H new ATOM 823 N PRO A 54 -11.525 -20.251 -15.351 1.00 14.22 N ATOM 824 CA PRO A 54 -12.802 -20.307 -16.068 1.00 75.24 C ATOM 825 C PRO A 54 -13.287 -21.738 -16.278 1.00 11.33 C ATOM 826 O PRO A 54 -14.414 -21.963 -16.719 1.00 23.13 O ATOM 827 CB PRO A 54 -12.483 -19.649 -17.413 1.00 13.42 C ATOM 828 CG PRO A 54 -11.019 -19.851 -17.596 1.00 23.14 C ATOM 829 CD PRO A 54 -10.420 -19.809 -16.217 1.00 44.20 C ATOM 0 HA PRO A 54 -13.601 -19.814 -15.515 1.00 75.24 H new ATOM 0 HB2 PRO A 54 -13.050 -20.108 -18.223 1.00 13.42 H new ATOM 0 HB3 PRO A 54 -12.739 -18.589 -17.406 1.00 13.42 H new ATOM 0 HG2 PRO A 54 -10.814 -20.805 -18.082 1.00 23.14 H new ATOM 0 HG3 PRO A 54 -10.594 -19.073 -18.230 1.00 23.14 H new ATOM 0 HD2 PRO A 54 -9.556 -20.468 -16.134 1.00 44.20 H new ATOM 0 HD3 PRO A 54 -10.082 -18.806 -15.956 1.00 44.20 H new ATOM 837 N ALA A 55 -12.429 -22.701 -15.958 1.00 32.00 N ATOM 838 CA ALA A 55 -12.771 -24.110 -16.109 1.00 14.22 C ATOM 839 C ALA A 55 -14.044 -24.451 -15.341 1.00 10.10 C ATOM 840 O ALA A 55 -14.746 -25.406 -15.676 1.00 14.22 O ATOM 841 CB ALA A 55 -11.619 -24.986 -15.640 1.00 72.02 C ATOM 0 H ALA A 55 -11.492 -22.531 -15.593 1.00 32.00 H new ATOM 0 HA ALA A 55 -12.953 -24.303 -17.166 1.00 14.22 H new ATOM 0 HB1 ALA A 55 -11.888 -26.036 -15.758 1.00 72.02 H new ATOM 0 HB2 ALA A 55 -10.732 -24.770 -16.235 1.00 72.02 H new ATOM 0 HB3 ALA A 55 -11.410 -24.781 -14.590 1.00 72.02 H new ATOM 847 N LEU A 56 -14.336 -23.666 -14.310 1.00 5.31 N ATOM 848 CA LEU A 56 -15.524 -23.885 -13.493 1.00 53.02 C ATOM 849 C LEU A 56 -16.417 -22.648 -13.488 1.00 73.44 C ATOM 850 O LEU A 56 -16.146 -21.672 -14.188 1.00 31.15 O ATOM 851 CB LEU A 56 -15.124 -24.245 -12.061 1.00 52.33 C ATOM 852 CG LEU A 56 -14.184 -23.263 -11.360 1.00 71.34 C ATOM 853 CD1 LEU A 56 -14.942 -22.444 -10.327 1.00 64.01 C ATOM 854 CD2 LEU A 56 -13.026 -24.006 -10.710 1.00 60.12 C ATOM 0 H LEU A 56 -13.766 -22.872 -14.020 1.00 5.31 H new ATOM 0 HA LEU A 56 -16.084 -24.714 -13.926 1.00 53.02 H new ATOM 0 HB2 LEU A 56 -16.031 -24.338 -11.464 1.00 52.33 H new ATOM 0 HB3 LEU A 56 -14.649 -25.226 -12.073 1.00 52.33 H new ATOM 0 HG LEU A 56 -13.778 -22.581 -12.107 1.00 71.34 H new ATOM 0 HD11 LEU A 56 -14.257 -21.751 -9.838 1.00 64.01 H new ATOM 0 HD12 LEU A 56 -15.736 -21.883 -10.819 1.00 64.01 H new ATOM 0 HD13 LEU A 56 -15.377 -23.110 -9.582 1.00 64.01 H new ATOM 0 HD21 LEU A 56 -12.367 -23.292 -10.216 1.00 60.12 H new ATOM 0 HD22 LEU A 56 -13.413 -24.711 -9.975 1.00 60.12 H new ATOM 0 HD23 LEU A 56 -12.467 -24.548 -11.473 1.00 60.12 H new ATOM 866 N ARG A 57 -17.482 -22.697 -12.694 1.00 42.22 N ATOM 867 CA ARG A 57 -18.414 -21.580 -12.598 1.00 32.25 C ATOM 868 C ARG A 57 -17.699 -20.313 -12.138 1.00 31.14 C ATOM 869 O ARG A 57 -16.632 -20.361 -11.525 1.00 13.51 O ATOM 870 CB ARG A 57 -19.549 -21.918 -11.629 1.00 72.21 C ATOM 871 CG ARG A 57 -20.625 -22.804 -12.237 1.00 2.33 C ATOM 872 CD ARG A 57 -21.484 -23.452 -11.163 1.00 75.30 C ATOM 873 NE ARG A 57 -22.261 -24.573 -11.686 1.00 63.25 N ATOM 874 CZ ARG A 57 -23.330 -24.428 -12.461 1.00 34.43 C ATOM 875 NH1 ARG A 57 -23.748 -23.217 -12.800 1.00 12.31 N ATOM 876 NH2 ARG A 57 -23.984 -25.497 -12.898 1.00 32.23 N ATOM 0 H ARG A 57 -17.721 -23.497 -12.109 1.00 42.22 H new ATOM 0 HA ARG A 57 -18.832 -21.401 -13.589 1.00 32.25 H new ATOM 0 HB2 ARG A 57 -19.132 -22.416 -10.754 1.00 72.21 H new ATOM 0 HB3 ARG A 57 -20.006 -20.992 -11.281 1.00 72.21 H new ATOM 0 HG2 ARG A 57 -21.255 -22.211 -12.900 1.00 2.33 H new ATOM 0 HG3 ARG A 57 -20.159 -23.577 -12.848 1.00 2.33 H new ATOM 0 HD2 ARG A 57 -20.847 -23.801 -10.350 1.00 75.30 H new ATOM 0 HD3 ARG A 57 -22.160 -22.708 -10.741 1.00 75.30 H new ATOM 0 HE ARG A 57 -21.967 -25.519 -11.443 1.00 63.25 H new ATOM 0 HH11 ARG A 57 -23.248 -22.393 -12.466 1.00 12.31 H new ATOM 0 HH12 ARG A 57 -24.569 -23.109 -13.395 1.00 12.31 H new ATOM 0 HH21 ARG A 57 -23.666 -26.431 -12.639 1.00 32.23 H new ATOM 0 HH22 ARG A 57 -24.805 -25.385 -13.493 1.00 32.23 H new ATOM 890 N PRO A 58 -18.299 -19.152 -12.440 1.00 20.04 N ATOM 891 CA PRO A 58 -17.737 -17.850 -12.067 1.00 32.43 C ATOM 892 C PRO A 58 -17.796 -17.603 -10.563 1.00 55.43 C ATOM 893 O PRO A 58 -16.805 -17.212 -9.949 1.00 43.12 O ATOM 894 CB PRO A 58 -18.630 -16.853 -12.809 1.00 14.13 C ATOM 895 CG PRO A 58 -19.924 -17.569 -12.996 1.00 5.33 C ATOM 896 CD PRO A 58 -19.572 -19.021 -13.168 1.00 10.41 C ATOM 0 HA PRO A 58 -16.681 -17.772 -12.326 1.00 32.43 H new ATOM 0 HB2 PRO A 58 -18.764 -15.937 -12.233 1.00 14.13 H new ATOM 0 HB3 PRO A 58 -18.194 -16.567 -13.766 1.00 14.13 H new ATOM 0 HG2 PRO A 58 -20.578 -17.425 -12.136 1.00 5.33 H new ATOM 0 HG3 PRO A 58 -20.457 -17.191 -13.868 1.00 5.33 H new ATOM 0 HD2 PRO A 58 -20.341 -19.673 -12.753 1.00 10.41 H new ATOM 0 HD3 PRO A 58 -19.463 -19.286 -14.220 1.00 10.41 H new ATOM 904 N GLY A 59 -18.967 -17.833 -9.976 1.00 23.14 N ATOM 905 CA GLY A 59 -19.133 -17.630 -8.548 1.00 41.34 C ATOM 906 C GLY A 59 -19.639 -18.871 -7.841 1.00 20.02 C ATOM 907 O GLY A 59 -20.098 -18.801 -6.701 1.00 63.24 O ATOM 0 H GLY A 59 -19.803 -18.156 -10.463 1.00 23.14 H new ATOM 0 HA2 GLY A 59 -18.179 -17.332 -8.113 1.00 41.34 H new ATOM 0 HA3 GLY A 59 -19.831 -16.810 -8.379 1.00 41.34 H new ATOM 911 N GLY A 60 -19.557 -20.012 -8.519 1.00 11.11 N ATOM 912 CA GLY A 60 -20.016 -21.258 -7.933 1.00 1.32 C ATOM 913 C GLY A 60 -18.873 -22.120 -7.435 1.00 61.02 C ATOM 914 O GLY A 60 -18.752 -23.284 -7.817 1.00 35.54 O ATOM 0 H GLY A 60 -19.181 -20.096 -9.463 1.00 11.11 H new ATOM 0 HA2 GLY A 60 -20.690 -21.040 -7.105 1.00 1.32 H new ATOM 0 HA3 GLY A 60 -20.591 -21.814 -8.674 1.00 1.32 H new ATOM 918 N PHE A 61 -18.030 -21.548 -6.582 1.00 41.32 N ATOM 919 CA PHE A 61 -16.889 -22.271 -6.034 1.00 23.14 C ATOM 920 C PHE A 61 -16.560 -21.781 -4.627 1.00 25.25 C ATOM 921 O PHE A 61 -16.909 -20.663 -4.251 1.00 2.42 O ATOM 922 CB PHE A 61 -15.669 -22.106 -6.942 1.00 5.41 C ATOM 923 CG PHE A 61 -15.007 -20.763 -6.819 1.00 13.32 C ATOM 924 CD1 PHE A 61 -15.470 -19.678 -7.546 1.00 73.44 C ATOM 925 CD2 PHE A 61 -13.922 -20.585 -5.976 1.00 12.24 C ATOM 926 CE1 PHE A 61 -14.864 -18.441 -7.435 1.00 73.02 C ATOM 927 CE2 PHE A 61 -13.312 -19.350 -5.860 1.00 15.10 C ATOM 928 CZ PHE A 61 -13.783 -18.277 -6.592 1.00 33.05 C ATOM 0 H PHE A 61 -18.116 -20.586 -6.255 1.00 41.32 H new ATOM 0 HA PHE A 61 -17.152 -23.327 -5.980 1.00 23.14 H new ATOM 0 HB2 PHE A 61 -14.942 -22.883 -6.706 1.00 5.41 H new ATOM 0 HB3 PHE A 61 -15.973 -22.259 -7.977 1.00 5.41 H new ATOM 0 HD1 PHE A 61 -16.315 -19.801 -8.208 1.00 73.44 H new ATOM 0 HD2 PHE A 61 -13.549 -21.421 -5.403 1.00 12.24 H new ATOM 0 HE1 PHE A 61 -15.236 -17.604 -8.007 1.00 73.02 H new ATOM 0 HE2 PHE A 61 -12.468 -19.224 -5.198 1.00 15.10 H new ATOM 0 HZ PHE A 61 -13.306 -17.312 -6.505 1.00 33.05 H new ATOM 938 N GLN A 62 -15.886 -22.628 -3.854 1.00 41.42 N ATOM 939 CA GLN A 62 -15.511 -22.281 -2.488 1.00 62.54 C ATOM 940 C GLN A 62 -14.006 -22.426 -2.284 1.00 34.22 C ATOM 941 O GLN A 62 -13.441 -23.498 -2.499 1.00 52.23 O ATOM 942 CB GLN A 62 -16.261 -23.167 -1.491 1.00 45.43 C ATOM 943 CG GLN A 62 -17.280 -22.411 -0.654 1.00 24.25 C ATOM 944 CD GLN A 62 -16.693 -21.180 0.008 1.00 13.40 C ATOM 945 OE1 GLN A 62 -17.298 -20.107 -0.004 1.00 43.14 O ATOM 946 NE2 GLN A 62 -15.509 -21.327 0.591 1.00 34.30 N ATOM 0 H GLN A 62 -15.589 -23.558 -4.150 1.00 41.42 H new ATOM 0 HA GLN A 62 -15.784 -21.240 -2.315 1.00 62.54 H new ATOM 0 HB2 GLN A 62 -16.769 -23.963 -2.035 1.00 45.43 H new ATOM 0 HB3 GLN A 62 -15.540 -23.644 -0.827 1.00 45.43 H new ATOM 0 HG2 GLN A 62 -18.116 -22.115 -1.287 1.00 24.25 H new ATOM 0 HG3 GLN A 62 -17.680 -23.075 0.112 1.00 24.25 H new ATOM 0 HE21 GLN A 62 -15.043 -22.234 0.577 1.00 34.30 H new ATOM 0 HE22 GLN A 62 -15.066 -20.533 1.053 1.00 34.30 H new ATOM 955 N ALA A 63 -13.364 -21.340 -1.867 1.00 23.11 N ATOM 956 CA ALA A 63 -11.925 -21.347 -1.632 1.00 12.23 C ATOM 957 C ALA A 63 -11.604 -21.787 -0.208 1.00 22.43 C ATOM 958 O ALA A 63 -12.166 -21.266 0.756 1.00 34.50 O ATOM 959 CB ALA A 63 -11.339 -19.970 -1.905 1.00 54.51 C ATOM 0 H ALA A 63 -13.817 -20.444 -1.685 1.00 23.11 H new ATOM 0 HA ALA A 63 -11.473 -22.064 -2.317 1.00 12.23 H new ATOM 0 HB1 ALA A 63 -10.264 -19.990 -1.726 1.00 54.51 H new ATOM 0 HB2 ALA A 63 -11.529 -19.693 -2.942 1.00 54.51 H new ATOM 0 HB3 ALA A 63 -11.804 -19.239 -1.243 1.00 54.51 H new ATOM 965 N HIS A 64 -10.696 -22.751 -0.082 1.00 13.54 N ATOM 966 CA HIS A 64 -10.300 -23.261 1.226 1.00 73.41 C ATOM 967 C HIS A 64 -8.836 -22.944 1.512 1.00 24.22 C ATOM 968 O HIS A 64 -7.978 -23.086 0.641 1.00 64.34 O ATOM 969 CB HIS A 64 -10.531 -24.771 1.298 1.00 22.13 C ATOM 970 CG HIS A 64 -11.956 -25.171 1.067 1.00 24.25 C ATOM 971 ND1 HIS A 64 -12.597 -25.007 -0.142 1.00 40.31 N ATOM 972 CD2 HIS A 64 -12.863 -25.733 1.900 1.00 73.14 C ATOM 973 CE1 HIS A 64 -13.838 -25.449 -0.043 1.00 50.54 C ATOM 974 NE2 HIS A 64 -14.025 -25.895 1.185 1.00 21.15 N ATOM 0 H HIS A 64 -10.222 -23.194 -0.869 1.00 13.54 H new ATOM 0 HA HIS A 64 -10.913 -22.770 1.982 1.00 73.41 H new ATOM 0 HB2 HIS A 64 -9.900 -25.262 0.558 1.00 22.13 H new ATOM 0 HB3 HIS A 64 -10.215 -25.132 2.277 1.00 22.13 H new ATOM 0 HD1 HIS A 64 -12.179 -24.607 -0.982 1.00 40.31 H new ATOM 0 HD2 HIS A 64 -12.703 -26.003 2.933 1.00 73.14 H new ATOM 0 HE1 HIS A 64 -14.575 -25.446 -0.833 1.00 50.54 H new ATOM 982 N TYR A 65 -8.557 -22.514 2.738 1.00 52.34 N ATOM 983 CA TYR A 65 -7.197 -22.173 3.137 1.00 30.35 C ATOM 984 C TYR A 65 -6.706 -23.102 4.243 1.00 22.35 C ATOM 985 O TYR A 65 -7.445 -23.423 5.174 1.00 10.23 O ATOM 986 CB TYR A 65 -7.131 -20.720 3.610 1.00 45.01 C ATOM 987 CG TYR A 65 -7.680 -20.510 5.003 1.00 60.32 C ATOM 988 CD1 TYR A 65 -9.050 -20.459 5.230 1.00 4.44 C ATOM 989 CD2 TYR A 65 -6.829 -20.365 6.092 1.00 50.13 C ATOM 990 CE1 TYR A 65 -9.556 -20.266 6.501 1.00 23.33 C ATOM 991 CE2 TYR A 65 -7.326 -20.174 7.366 1.00 13.23 C ATOM 992 CZ TYR A 65 -8.690 -20.125 7.566 1.00 52.31 C ATOM 993 OH TYR A 65 -9.191 -19.935 8.834 1.00 45.44 O ATOM 0 H TYR A 65 -9.255 -22.393 3.472 1.00 52.34 H new ATOM 0 HA TYR A 65 -6.549 -22.295 2.269 1.00 30.35 H new ATOM 0 HB2 TYR A 65 -6.094 -20.385 3.583 1.00 45.01 H new ATOM 0 HB3 TYR A 65 -7.686 -20.094 2.912 1.00 45.01 H new ATOM 0 HD1 TYR A 65 -9.731 -20.572 4.399 1.00 4.44 H new ATOM 0 HD2 TYR A 65 -5.761 -20.402 5.939 1.00 50.13 H new ATOM 0 HE1 TYR A 65 -10.623 -20.226 6.660 1.00 23.33 H new ATOM 0 HE2 TYR A 65 -6.650 -20.064 8.201 1.00 13.23 H new ATOM 0 HH TYR A 65 -8.450 -19.855 9.470 1.00 45.44 H new ATOM 1003 N ARG A 66 -5.452 -23.531 4.134 1.00 14.41 N ATOM 1004 CA ARG A 66 -4.861 -24.423 5.124 1.00 60.24 C ATOM 1005 C ARG A 66 -4.538 -23.670 6.411 1.00 62.12 C ATOM 1006 O ARG A 66 -3.969 -22.579 6.377 1.00 33.23 O ATOM 1007 CB ARG A 66 -3.591 -25.069 4.565 1.00 13.52 C ATOM 1008 CG ARG A 66 -2.405 -24.121 4.500 1.00 64.02 C ATOM 1009 CD ARG A 66 -1.524 -24.245 5.734 1.00 55.42 C ATOM 1010 NE ARG A 66 -0.725 -23.043 5.958 1.00 20.33 N ATOM 1011 CZ ARG A 66 0.229 -22.957 6.879 1.00 53.40 C ATOM 1012 NH1 ARG A 66 0.500 -23.996 7.656 1.00 4.45 N ATOM 1013 NH2 ARG A 66 0.913 -21.829 7.023 1.00 41.01 N ATOM 0 H ARG A 66 -4.826 -23.275 3.370 1.00 14.41 H new ATOM 0 HA ARG A 66 -5.587 -25.203 5.353 1.00 60.24 H new ATOM 0 HB2 ARG A 66 -3.327 -25.926 5.184 1.00 13.52 H new ATOM 0 HB3 ARG A 66 -3.797 -25.449 3.564 1.00 13.52 H new ATOM 0 HG2 ARG A 66 -1.816 -24.334 3.608 1.00 64.02 H new ATOM 0 HG3 ARG A 66 -2.762 -23.095 4.408 1.00 64.02 H new ATOM 0 HD2 ARG A 66 -2.148 -24.434 6.608 1.00 55.42 H new ATOM 0 HD3 ARG A 66 -0.863 -25.104 5.623 1.00 55.42 H new ATOM 0 HE ARG A 66 -0.909 -22.226 5.376 1.00 20.33 H new ATOM 0 HH11 ARG A 66 -0.024 -24.864 7.548 1.00 4.45 H new ATOM 0 HH12 ARG A 66 1.233 -23.927 8.362 1.00 4.45 H new ATOM 0 HH21 ARG A 66 0.706 -21.028 6.427 1.00 41.01 H new ATOM 0 HH22 ARG A 66 1.645 -21.763 7.730 1.00 41.01 H new ATOM 1027 N ALA A 67 -4.905 -24.260 7.544 1.00 70.25 N ATOM 1028 CA ALA A 67 -4.653 -23.646 8.841 1.00 31.23 C ATOM 1029 C ALA A 67 -3.549 -24.382 9.592 1.00 64.52 C ATOM 1030 O ALA A 67 -2.953 -25.324 9.070 1.00 45.24 O ATOM 1031 CB ALA A 67 -5.929 -23.620 9.669 1.00 13.43 C ATOM 0 H ALA A 67 -5.378 -25.163 7.589 1.00 70.25 H new ATOM 0 HA ALA A 67 -4.321 -22.622 8.672 1.00 31.23 H new ATOM 0 HB1 ALA A 67 -5.726 -23.159 10.636 1.00 13.43 H new ATOM 0 HB2 ALA A 67 -6.691 -23.044 9.145 1.00 13.43 H new ATOM 0 HB3 ALA A 67 -6.285 -24.639 9.821 1.00 13.43 H new ATOM 1037 N GLU A 68 -3.281 -23.947 10.819 1.00 41.52 N ATOM 1038 CA GLU A 68 -2.246 -24.565 11.640 1.00 52.44 C ATOM 1039 C GLU A 68 -2.468 -26.070 11.752 1.00 31.12 C ATOM 1040 O GLU A 68 -1.517 -26.851 11.735 1.00 22.44 O ATOM 1041 CB GLU A 68 -2.227 -23.935 13.034 1.00 25.22 C ATOM 1042 CG GLU A 68 -3.551 -24.045 13.770 1.00 14.40 C ATOM 1043 CD GLU A 68 -3.637 -25.286 14.637 1.00 44.03 C ATOM 1044 OE1 GLU A 68 -2.704 -26.115 14.577 1.00 35.24 O ATOM 1045 OE2 GLU A 68 -4.635 -25.429 15.373 1.00 5.44 O ATOM 0 H GLU A 68 -3.766 -23.169 11.267 1.00 41.52 H new ATOM 0 HA GLU A 68 -1.284 -24.392 11.158 1.00 52.44 H new ATOM 0 HB2 GLU A 68 -1.449 -24.414 13.629 1.00 25.22 H new ATOM 0 HB3 GLU A 68 -1.957 -22.883 12.944 1.00 25.22 H new ATOM 0 HG2 GLU A 68 -3.690 -23.161 14.393 1.00 14.40 H new ATOM 0 HG3 GLU A 68 -4.365 -24.056 13.045 1.00 14.40 H new ATOM 1052 N ARG A 69 -3.730 -26.469 11.868 1.00 75.24 N ATOM 1053 CA ARG A 69 -4.078 -27.880 11.985 1.00 60.21 C ATOM 1054 C ARG A 69 -3.712 -28.638 10.712 1.00 54.12 C ATOM 1055 O ARG A 69 -3.464 -29.842 10.744 1.00 64.32 O ATOM 1056 CB ARG A 69 -5.572 -28.037 12.273 1.00 32.12 C ATOM 1057 CG ARG A 69 -5.981 -27.546 13.652 1.00 13.31 C ATOM 1058 CD ARG A 69 -7.320 -28.128 14.077 1.00 72.45 C ATOM 1059 NE ARG A 69 -7.927 -27.368 15.166 1.00 74.33 N ATOM 1060 CZ ARG A 69 -9.147 -27.605 15.637 1.00 42.05 C ATOM 1061 NH1 ARG A 69 -9.885 -28.576 15.116 1.00 1.25 N ATOM 1062 NH2 ARG A 69 -9.630 -26.870 16.630 1.00 1.01 N ATOM 0 H ARG A 69 -4.529 -25.835 11.883 1.00 75.24 H new ATOM 0 HA ARG A 69 -3.509 -28.301 12.814 1.00 60.21 H new ATOM 0 HB2 ARG A 69 -6.138 -27.490 11.519 1.00 32.12 H new ATOM 0 HB3 ARG A 69 -5.844 -29.088 12.175 1.00 32.12 H new ATOM 0 HG2 ARG A 69 -5.217 -27.821 14.379 1.00 13.31 H new ATOM 0 HG3 ARG A 69 -6.041 -26.458 13.649 1.00 13.31 H new ATOM 0 HD2 ARG A 69 -7.997 -28.141 13.223 1.00 72.45 H new ATOM 0 HD3 ARG A 69 -7.182 -29.163 14.390 1.00 72.45 H new ATOM 0 HE ARG A 69 -7.385 -26.614 15.588 1.00 74.33 H new ATOM 0 HH11 ARG A 69 -9.517 -29.143 14.352 1.00 1.25 H new ATOM 0 HH12 ARG A 69 -10.821 -28.756 15.479 1.00 1.25 H new ATOM 0 HH21 ARG A 69 -9.065 -26.122 17.033 1.00 1.01 H new ATOM 0 HH22 ARG A 69 -10.566 -27.053 16.991 1.00 1.01 H new ATOM 1076 N GLY A 70 -3.683 -27.923 9.591 1.00 5.43 N ATOM 1077 CA GLY A 70 -3.347 -28.544 8.323 1.00 13.14 C ATOM 1078 C GLY A 70 -4.572 -29.031 7.574 1.00 0.54 C ATOM 1079 O GLY A 70 -4.476 -29.913 6.721 1.00 33.14 O ATOM 0 H GLY A 70 -3.886 -26.925 9.539 1.00 5.43 H new ATOM 0 HA2 GLY A 70 -2.807 -27.828 7.703 1.00 13.14 H new ATOM 0 HA3 GLY A 70 -2.675 -29.384 8.500 1.00 13.14 H new ATOM 1083 N ASP A 71 -5.726 -28.456 7.894 1.00 11.42 N ATOM 1084 CA ASP A 71 -6.976 -28.836 7.246 1.00 65.43 C ATOM 1085 C ASP A 71 -7.504 -27.701 6.375 1.00 12.33 C ATOM 1086 O ASP A 71 -7.043 -26.563 6.474 1.00 54.53 O ATOM 1087 CB ASP A 71 -8.021 -29.222 8.293 1.00 74.42 C ATOM 1088 CG ASP A 71 -7.925 -28.376 9.547 1.00 42.01 C ATOM 1089 OD1 ASP A 71 -7.619 -27.171 9.428 1.00 44.13 O ATOM 1090 OD2 ASP A 71 -8.156 -28.918 10.647 1.00 33.35 O ATOM 0 H ASP A 71 -5.822 -27.725 8.599 1.00 11.42 H new ATOM 0 HA ASP A 71 -6.778 -29.697 6.607 1.00 65.43 H new ATOM 0 HB2 ASP A 71 -9.017 -29.117 7.863 1.00 74.42 H new ATOM 0 HB3 ASP A 71 -7.896 -30.272 8.557 1.00 74.42 H new ATOM 1095 N LEU A 72 -8.473 -28.017 5.523 1.00 65.12 N ATOM 1096 CA LEU A 72 -9.064 -27.023 4.633 1.00 21.43 C ATOM 1097 C LEU A 72 -10.269 -26.355 5.288 1.00 60.53 C ATOM 1098 O LEU A 72 -11.162 -27.029 5.802 1.00 10.21 O ATOM 1099 CB LEU A 72 -9.482 -27.675 3.314 1.00 24.31 C ATOM 1100 CG LEU A 72 -8.365 -27.901 2.294 1.00 31.40 C ATOM 1101 CD1 LEU A 72 -8.908 -28.593 1.053 1.00 40.31 C ATOM 1102 CD2 LEU A 72 -7.704 -26.581 1.925 1.00 32.24 C ATOM 0 H LEU A 72 -8.866 -28.953 5.429 1.00 65.12 H new ATOM 0 HA LEU A 72 -8.313 -26.259 4.431 1.00 21.43 H new ATOM 0 HB2 LEU A 72 -9.943 -28.637 3.537 1.00 24.31 H new ATOM 0 HB3 LEU A 72 -10.249 -27.054 2.852 1.00 24.31 H new ATOM 0 HG LEU A 72 -7.612 -28.547 2.745 1.00 31.40 H new ATOM 0 HD11 LEU A 72 -8.099 -28.746 0.338 1.00 40.31 H new ATOM 0 HD12 LEU A 72 -9.333 -29.557 1.331 1.00 40.31 H new ATOM 0 HD13 LEU A 72 -9.681 -27.973 0.599 1.00 40.31 H new ATOM 0 HD21 LEU A 72 -6.912 -26.761 1.198 1.00 32.24 H new ATOM 0 HD22 LEU A 72 -8.447 -25.910 1.493 1.00 32.24 H new ATOM 0 HD23 LEU A 72 -7.279 -26.124 2.819 1.00 32.24 H new ATOM 1114 N VAL A 73 -10.289 -25.027 5.263 1.00 44.44 N ATOM 1115 CA VAL A 73 -11.386 -24.267 5.850 1.00 4.12 C ATOM 1116 C VAL A 73 -11.975 -23.284 4.844 1.00 25.42 C ATOM 1117 O VAL A 73 -11.404 -22.224 4.590 1.00 13.01 O ATOM 1118 CB VAL A 73 -10.926 -23.492 7.099 1.00 2.04 C ATOM 1119 CG1 VAL A 73 -12.091 -22.732 7.715 1.00 4.21 C ATOM 1120 CG2 VAL A 73 -10.301 -24.439 8.113 1.00 42.50 C ATOM 0 H VAL A 73 -9.557 -24.454 4.842 1.00 44.44 H new ATOM 0 HA VAL A 73 -12.151 -24.988 6.139 1.00 4.12 H new ATOM 0 HB VAL A 73 -10.169 -22.768 6.798 1.00 2.04 H new ATOM 0 HG11 VAL A 73 -11.747 -22.191 8.596 1.00 4.21 H new ATOM 0 HG12 VAL A 73 -12.490 -22.025 6.987 1.00 4.21 H new ATOM 0 HG13 VAL A 73 -12.872 -23.435 8.003 1.00 4.21 H new ATOM 0 HG21 VAL A 73 -9.982 -23.875 8.989 1.00 42.50 H new ATOM 0 HG22 VAL A 73 -11.034 -25.188 8.411 1.00 42.50 H new ATOM 0 HG23 VAL A 73 -9.439 -24.933 7.666 1.00 42.50 H new ATOM 1130 N ALA A 74 -13.120 -23.645 4.275 1.00 51.43 N ATOM 1131 CA ALA A 74 -13.788 -22.794 3.298 1.00 13.40 C ATOM 1132 C ALA A 74 -14.033 -21.398 3.862 1.00 34.22 C ATOM 1133 O ALA A 74 -14.925 -21.199 4.687 1.00 34.11 O ATOM 1134 CB ALA A 74 -15.101 -23.425 2.858 1.00 23.20 C ATOM 0 H ALA A 74 -13.604 -24.520 4.473 1.00 51.43 H new ATOM 0 HA ALA A 74 -13.135 -22.698 2.431 1.00 13.40 H new ATOM 0 HB1 ALA A 74 -15.589 -22.779 2.128 1.00 23.20 H new ATOM 0 HB2 ALA A 74 -14.904 -24.397 2.407 1.00 23.20 H new ATOM 0 HB3 ALA A 74 -15.752 -23.552 3.723 1.00 23.20 H new ATOM 1140 N PHE A 75 -13.236 -20.435 3.413 1.00 41.11 N ATOM 1141 CA PHE A 75 -13.365 -19.058 3.875 1.00 54.35 C ATOM 1142 C PHE A 75 -14.273 -18.256 2.946 1.00 34.14 C ATOM 1143 O PHE A 75 -14.612 -18.705 1.851 1.00 24.13 O ATOM 1144 CB PHE A 75 -11.989 -18.394 3.958 1.00 34.05 C ATOM 1145 CG PHE A 75 -11.338 -18.194 2.620 1.00 25.21 C ATOM 1146 CD1 PHE A 75 -10.569 -19.198 2.052 1.00 12.32 C ATOM 1147 CD2 PHE A 75 -11.493 -17.003 1.930 1.00 3.42 C ATOM 1148 CE1 PHE A 75 -9.968 -19.017 0.821 1.00 73.24 C ATOM 1149 CE2 PHE A 75 -10.895 -16.817 0.698 1.00 4.32 C ATOM 1150 CZ PHE A 75 -10.130 -17.825 0.143 1.00 15.43 C ATOM 0 H PHE A 75 -12.494 -20.583 2.729 1.00 41.11 H new ATOM 0 HA PHE A 75 -13.813 -19.075 4.868 1.00 54.35 H new ATOM 0 HB2 PHE A 75 -12.090 -17.428 4.452 1.00 34.05 H new ATOM 0 HB3 PHE A 75 -11.337 -19.005 4.583 1.00 34.05 H new ATOM 0 HD1 PHE A 75 -10.438 -20.132 2.578 1.00 12.32 H new ATOM 0 HD2 PHE A 75 -12.088 -16.211 2.360 1.00 3.42 H new ATOM 0 HE1 PHE A 75 -9.372 -19.807 0.389 1.00 73.24 H new ATOM 0 HE2 PHE A 75 -11.026 -15.884 0.169 1.00 4.32 H new ATOM 0 HZ PHE A 75 -9.660 -17.681 -0.819 1.00 15.43 H new ATOM 1160 N SER A 76 -14.665 -17.067 3.393 1.00 20.13 N ATOM 1161 CA SER A 76 -15.537 -16.204 2.606 1.00 53.12 C ATOM 1162 C SER A 76 -15.798 -14.887 3.331 1.00 23.34 C ATOM 1163 O SER A 76 -16.943 -14.459 3.471 1.00 51.53 O ATOM 1164 CB SER A 76 -16.863 -16.911 2.316 1.00 0.43 C ATOM 1165 OG SER A 76 -17.328 -17.610 3.458 1.00 51.32 O ATOM 0 H SER A 76 -14.392 -16.680 4.296 1.00 20.13 H new ATOM 0 HA SER A 76 -15.035 -15.986 1.663 1.00 53.12 H new ATOM 0 HB2 SER A 76 -17.609 -16.179 2.005 1.00 0.43 H new ATOM 0 HB3 SER A 76 -16.734 -17.607 1.487 1.00 0.43 H new ATOM 0 HG SER A 76 -18.177 -18.052 3.248 1.00 51.32 H new ATOM 1171 N SER A 77 -14.726 -14.251 3.792 1.00 4.30 N ATOM 1172 CA SER A 77 -14.837 -12.985 4.507 1.00 2.31 C ATOM 1173 C SER A 77 -13.503 -12.243 4.510 1.00 73.51 C ATOM 1174 O SER A 77 -12.438 -12.859 4.553 1.00 72.52 O ATOM 1175 CB SER A 77 -15.302 -13.226 5.944 1.00 14.33 C ATOM 1176 OG SER A 77 -16.574 -13.851 5.970 1.00 23.35 O ATOM 0 H SER A 77 -13.771 -14.592 3.683 1.00 4.30 H new ATOM 0 HA SER A 77 -15.574 -12.369 3.992 1.00 2.31 H new ATOM 0 HB2 SER A 77 -14.576 -13.850 6.465 1.00 14.33 H new ATOM 0 HB3 SER A 77 -15.348 -12.277 6.479 1.00 14.33 H new ATOM 0 HG SER A 77 -16.984 -13.796 5.081 1.00 23.35 H new ATOM 1182 N ASP A 78 -13.571 -10.918 4.464 1.00 42.40 N ATOM 1183 CA ASP A 78 -12.370 -10.091 4.462 1.00 3.53 C ATOM 1184 C ASP A 78 -11.490 -10.408 5.667 1.00 1.45 C ATOM 1185 O ASP A 78 -10.265 -10.455 5.558 1.00 72.32 O ATOM 1186 CB ASP A 78 -12.746 -8.608 4.466 1.00 44.15 C ATOM 1187 CG ASP A 78 -13.594 -8.228 5.663 1.00 32.51 C ATOM 1188 OD1 ASP A 78 -14.791 -8.585 5.679 1.00 13.23 O ATOM 1189 OD2 ASP A 78 -13.061 -7.576 6.585 1.00 52.14 O ATOM 0 H ASP A 78 -14.445 -10.393 4.428 1.00 42.40 H new ATOM 0 HA ASP A 78 -11.807 -10.313 3.555 1.00 3.53 H new ATOM 0 HB2 ASP A 78 -11.837 -8.006 4.463 1.00 44.15 H new ATOM 0 HB3 ASP A 78 -13.288 -8.371 3.551 1.00 44.15 H new ATOM 1194 N GLU A 79 -12.123 -10.622 6.816 1.00 34.33 N ATOM 1195 CA GLU A 79 -11.397 -10.933 8.042 1.00 11.30 C ATOM 1196 C GLU A 79 -10.692 -12.281 7.930 1.00 61.31 C ATOM 1197 O GLU A 79 -9.711 -12.539 8.626 1.00 65.32 O ATOM 1198 CB GLU A 79 -12.351 -10.942 9.238 1.00 12.52 C ATOM 1199 CG GLU A 79 -13.400 -12.039 9.172 1.00 54.42 C ATOM 1200 CD GLU A 79 -14.713 -11.630 9.811 1.00 53.42 C ATOM 1201 OE1 GLU A 79 -15.540 -11.003 9.116 1.00 15.52 O ATOM 1202 OE2 GLU A 79 -14.914 -11.936 11.005 1.00 64.14 O ATOM 0 H GLU A 79 -13.137 -10.586 6.924 1.00 34.33 H new ATOM 0 HA GLU A 79 -10.644 -10.160 8.193 1.00 11.30 H new ATOM 0 HB2 GLU A 79 -11.771 -11.060 10.153 1.00 12.52 H new ATOM 0 HB3 GLU A 79 -12.851 -9.976 9.300 1.00 12.52 H new ATOM 0 HG2 GLU A 79 -13.575 -12.307 8.130 1.00 54.42 H new ATOM 0 HG3 GLU A 79 -13.020 -12.931 9.671 1.00 54.42 H new ATOM 1209 N GLU A 80 -11.201 -13.137 7.049 1.00 21.21 N ATOM 1210 CA GLU A 80 -10.621 -14.460 6.847 1.00 3.31 C ATOM 1211 C GLU A 80 -9.391 -14.383 5.947 1.00 51.43 C ATOM 1212 O GLU A 80 -8.435 -15.141 6.116 1.00 73.05 O ATOM 1213 CB GLU A 80 -11.655 -15.407 6.236 1.00 53.11 C ATOM 1214 CG GLU A 80 -12.365 -16.276 7.260 1.00 22.34 C ATOM 1215 CD GLU A 80 -12.876 -15.481 8.446 1.00 23.44 C ATOM 1216 OE1 GLU A 80 -12.085 -15.233 9.380 1.00 23.21 O ATOM 1217 OE2 GLU A 80 -14.067 -15.107 8.440 1.00 73.30 O ATOM 0 H GLU A 80 -12.013 -12.938 6.464 1.00 21.21 H new ATOM 0 HA GLU A 80 -10.315 -14.847 7.819 1.00 3.31 H new ATOM 0 HB2 GLU A 80 -12.396 -14.820 5.693 1.00 53.11 H new ATOM 0 HB3 GLU A 80 -11.161 -16.049 5.507 1.00 53.11 H new ATOM 0 HG2 GLU A 80 -13.201 -16.785 6.781 1.00 22.34 H new ATOM 0 HG3 GLU A 80 -11.681 -17.048 7.612 1.00 22.34 H new ATOM 1224 N LEU A 81 -9.423 -13.462 4.990 1.00 41.14 N ATOM 1225 CA LEU A 81 -8.312 -13.285 4.061 1.00 2.20 C ATOM 1226 C LEU A 81 -7.088 -12.723 4.777 1.00 21.02 C ATOM 1227 O LEU A 81 -5.983 -13.252 4.650 1.00 42.52 O ATOM 1228 CB LEU A 81 -8.720 -12.354 2.918 1.00 11.20 C ATOM 1229 CG LEU A 81 -9.473 -13.006 1.758 1.00 51.42 C ATOM 1230 CD1 LEU A 81 -8.675 -14.168 1.189 1.00 25.22 C ATOM 1231 CD2 LEU A 81 -10.849 -13.472 2.210 1.00 12.10 C ATOM 0 H LEU A 81 -10.206 -12.826 4.837 1.00 41.14 H new ATOM 0 HA LEU A 81 -8.054 -14.262 3.651 1.00 2.20 H new ATOM 0 HB2 LEU A 81 -9.343 -11.559 3.328 1.00 11.20 H new ATOM 0 HB3 LEU A 81 -7.821 -11.882 2.522 1.00 11.20 H new ATOM 0 HG LEU A 81 -9.603 -12.263 0.972 1.00 51.42 H new ATOM 0 HD11 LEU A 81 -9.227 -14.619 0.365 1.00 25.22 H new ATOM 0 HD12 LEU A 81 -7.713 -13.806 0.826 1.00 25.22 H new ATOM 0 HD13 LEU A 81 -8.512 -14.913 1.968 1.00 25.22 H new ATOM 0 HD21 LEU A 81 -11.370 -13.933 1.371 1.00 12.10 H new ATOM 0 HD22 LEU A 81 -10.741 -14.199 3.015 1.00 12.10 H new ATOM 0 HD23 LEU A 81 -11.423 -12.617 2.568 1.00 12.10 H new ATOM 1243 N THR A 82 -7.292 -11.649 5.533 1.00 11.24 N ATOM 1244 CA THR A 82 -6.206 -11.016 6.271 1.00 13.31 C ATOM 1245 C THR A 82 -5.552 -11.997 7.236 1.00 21.34 C ATOM 1246 O THR A 82 -4.363 -11.888 7.537 1.00 55.05 O ATOM 1247 CB THR A 82 -6.704 -9.790 7.061 1.00 25.53 C ATOM 1248 OG1 THR A 82 -5.594 -8.970 7.443 1.00 25.42 O ATOM 1249 CG2 THR A 82 -7.472 -10.222 8.301 1.00 12.32 C ATOM 0 H THR A 82 -8.200 -11.199 5.650 1.00 11.24 H new ATOM 0 HA THR A 82 -5.471 -10.691 5.535 1.00 13.31 H new ATOM 0 HB THR A 82 -7.374 -9.218 6.419 1.00 25.53 H new ATOM 0 HG1 THR A 82 -5.919 -8.192 7.943 1.00 25.42 H new ATOM 0 HG21 THR A 82 -7.814 -9.340 8.843 1.00 12.32 H new ATOM 0 HG22 THR A 82 -8.332 -10.822 8.005 1.00 12.32 H new ATOM 0 HG23 THR A 82 -6.821 -10.814 8.945 1.00 12.32 H new ATOM 1257 N MET A 83 -6.335 -12.956 7.719 1.00 30.51 N ATOM 1258 CA MET A 83 -5.830 -13.959 8.650 1.00 64.13 C ATOM 1259 C MET A 83 -5.140 -15.096 7.902 1.00 3.12 C ATOM 1260 O MET A 83 -4.081 -15.569 8.313 1.00 3.35 O ATOM 1261 CB MET A 83 -6.971 -14.514 9.504 1.00 2.24 C ATOM 1262 CG MET A 83 -6.565 -14.815 10.938 1.00 32.30 C ATOM 1263 SD MET A 83 -7.944 -15.402 11.941 1.00 1.12 S ATOM 1264 CE MET A 83 -8.843 -13.876 12.207 1.00 40.35 C ATOM 0 H MET A 83 -7.321 -13.060 7.481 1.00 30.51 H new ATOM 0 HA MET A 83 -5.099 -13.479 9.301 1.00 64.13 H new ATOM 0 HB2 MET A 83 -7.792 -13.797 9.510 1.00 2.24 H new ATOM 0 HB3 MET A 83 -7.349 -15.426 9.043 1.00 2.24 H new ATOM 0 HG2 MET A 83 -5.775 -15.566 10.938 1.00 32.30 H new ATOM 0 HG3 MET A 83 -6.149 -13.915 11.390 1.00 32.30 H new ATOM 0 HE1 MET A 83 -9.621 -14.037 12.953 1.00 40.35 H new ATOM 0 HE2 MET A 83 -8.157 -13.106 12.559 1.00 40.35 H new ATOM 0 HE3 MET A 83 -9.300 -13.555 11.271 1.00 40.35 H new ATOM 1274 N ALA A 84 -5.747 -15.530 6.803 1.00 53.22 N ATOM 1275 CA ALA A 84 -5.190 -16.610 5.998 1.00 52.43 C ATOM 1276 C ALA A 84 -3.735 -16.330 5.636 1.00 74.23 C ATOM 1277 O ALA A 84 -2.883 -17.213 5.727 1.00 1.13 O ATOM 1278 CB ALA A 84 -6.020 -16.811 4.738 1.00 30.34 C ATOM 0 H ALA A 84 -6.625 -15.150 6.449 1.00 53.22 H new ATOM 0 HA ALA A 84 -5.221 -17.525 6.590 1.00 52.43 H new ATOM 0 HB1 ALA A 84 -5.593 -17.620 4.146 1.00 30.34 H new ATOM 0 HB2 ALA A 84 -7.044 -17.064 5.013 1.00 30.34 H new ATOM 0 HB3 ALA A 84 -6.019 -15.893 4.151 1.00 30.34 H new ATOM 1284 N MET A 85 -3.459 -15.097 5.224 1.00 73.23 N ATOM 1285 CA MET A 85 -2.107 -14.702 4.848 1.00 24.33 C ATOM 1286 C MET A 85 -1.201 -14.632 6.074 1.00 51.42 C ATOM 1287 O MET A 85 0.021 -14.720 5.960 1.00 44.11 O ATOM 1288 CB MET A 85 -2.127 -13.349 4.136 1.00 42.42 C ATOM 1289 CG MET A 85 -2.654 -12.215 5.000 1.00 3.32 C ATOM 1290 SD MET A 85 -2.433 -10.597 4.235 1.00 60.35 S ATOM 1291 CE MET A 85 -2.978 -10.937 2.563 1.00 53.14 C ATOM 0 H MET A 85 -4.154 -14.355 5.142 1.00 73.23 H new ATOM 0 HA MET A 85 -1.711 -15.456 4.168 1.00 24.33 H new ATOM 0 HB2 MET A 85 -1.116 -13.105 3.808 1.00 42.42 H new ATOM 0 HB3 MET A 85 -2.743 -13.428 3.240 1.00 42.42 H new ATOM 0 HG2 MET A 85 -3.714 -12.377 5.198 1.00 3.32 H new ATOM 0 HG3 MET A 85 -2.144 -12.230 5.963 1.00 3.32 H new ATOM 0 HE1 MET A 85 -3.173 -9.998 2.046 1.00 53.14 H new ATOM 0 HE2 MET A 85 -2.202 -11.489 2.033 1.00 53.14 H new ATOM 0 HE3 MET A 85 -3.891 -11.531 2.592 1.00 53.14 H new ATOM 1301 N SER A 86 -1.809 -14.471 7.245 1.00 71.50 N ATOM 1302 CA SER A 86 -1.057 -14.385 8.491 1.00 1.32 C ATOM 1303 C SER A 86 -0.317 -15.689 8.771 1.00 32.42 C ATOM 1304 O SER A 86 0.699 -15.703 9.467 1.00 75.21 O ATOM 1305 CB SER A 86 -1.994 -14.056 9.655 1.00 22.52 C ATOM 1306 OG SER A 86 -1.309 -13.357 10.680 1.00 64.13 O ATOM 0 H SER A 86 -2.820 -14.398 7.357 1.00 71.50 H new ATOM 0 HA SER A 86 -0.322 -13.586 8.389 1.00 1.32 H new ATOM 0 HB2 SER A 86 -2.828 -13.454 9.295 1.00 22.52 H new ATOM 0 HB3 SER A 86 -2.416 -14.977 10.058 1.00 22.52 H new ATOM 0 HG SER A 86 -1.930 -13.157 11.411 1.00 64.13 H new ATOM 1312 N TYR A 87 -0.834 -16.784 8.224 1.00 31.03 N ATOM 1313 CA TYR A 87 -0.225 -18.095 8.416 1.00 13.13 C ATOM 1314 C TYR A 87 1.014 -18.254 7.540 1.00 15.11 C ATOM 1315 O TYR A 87 1.785 -19.200 7.701 1.00 51.21 O ATOM 1316 CB TYR A 87 -1.234 -19.200 8.099 1.00 63.34 C ATOM 1317 CG TYR A 87 -2.441 -19.199 9.009 1.00 3.13 C ATOM 1318 CD1 TYR A 87 -3.534 -18.383 8.745 1.00 43.40 C ATOM 1319 CD2 TYR A 87 -2.488 -20.013 10.134 1.00 1.33 C ATOM 1320 CE1 TYR A 87 -4.638 -18.377 9.575 1.00 74.35 C ATOM 1321 CE2 TYR A 87 -3.589 -20.015 10.969 1.00 61.15 C ATOM 1322 CZ TYR A 87 -4.661 -19.196 10.685 1.00 55.44 C ATOM 1323 OH TYR A 87 -5.760 -19.194 11.514 1.00 64.01 O ATOM 0 H TYR A 87 -1.673 -16.790 7.644 1.00 31.03 H new ATOM 0 HA TYR A 87 0.078 -18.178 9.460 1.00 13.13 H new ATOM 0 HB2 TYR A 87 -1.568 -19.090 7.067 1.00 63.34 H new ATOM 0 HB3 TYR A 87 -0.736 -20.167 8.172 1.00 63.34 H new ATOM 0 HD1 TYR A 87 -3.520 -17.742 7.876 1.00 43.40 H new ATOM 0 HD2 TYR A 87 -1.650 -20.655 10.360 1.00 1.33 H new ATOM 0 HE1 TYR A 87 -5.478 -17.735 9.356 1.00 74.35 H new ATOM 0 HE2 TYR A 87 -3.610 -20.654 11.839 1.00 61.15 H new ATOM 0 HH TYR A 87 -5.617 -19.827 12.248 1.00 64.01 H new ATOM 1333 N VAL A 88 1.198 -17.320 6.612 1.00 32.21 N ATOM 1334 CA VAL A 88 2.343 -17.354 5.710 1.00 0.15 C ATOM 1335 C VAL A 88 3.437 -16.399 6.176 1.00 70.43 C ATOM 1336 O VAL A 88 3.176 -15.231 6.462 1.00 5.31 O ATOM 1337 CB VAL A 88 1.935 -16.988 4.271 1.00 2.51 C ATOM 1338 CG1 VAL A 88 3.129 -17.091 3.335 1.00 64.43 C ATOM 1339 CG2 VAL A 88 0.797 -17.878 3.797 1.00 34.23 C ATOM 0 H VAL A 88 0.569 -16.531 6.465 1.00 32.21 H new ATOM 0 HA VAL A 88 2.726 -18.374 5.722 1.00 0.15 H new ATOM 0 HB VAL A 88 1.585 -15.956 4.263 1.00 2.51 H new ATOM 0 HG11 VAL A 88 2.821 -16.829 2.323 1.00 64.43 H new ATOM 0 HG12 VAL A 88 3.911 -16.407 3.666 1.00 64.43 H new ATOM 0 HG13 VAL A 88 3.512 -18.111 3.345 1.00 64.43 H new ATOM 0 HG21 VAL A 88 0.522 -17.605 2.778 1.00 34.23 H new ATOM 0 HG22 VAL A 88 1.116 -18.920 3.820 1.00 34.23 H new ATOM 0 HG23 VAL A 88 -0.064 -17.748 4.453 1.00 34.23 H new ATOM 1349 N LYS A 89 4.664 -16.905 6.248 1.00 13.35 N ATOM 1350 CA LYS A 89 5.800 -16.098 6.677 1.00 11.31 C ATOM 1351 C LYS A 89 6.375 -15.303 5.509 1.00 72.53 C ATOM 1352 O LYS A 89 6.881 -14.196 5.688 1.00 0.32 O ATOM 1353 CB LYS A 89 6.885 -16.990 7.284 1.00 1.34 C ATOM 1354 CG LYS A 89 7.954 -16.219 8.040 1.00 14.21 C ATOM 1355 CD LYS A 89 9.269 -16.979 8.077 1.00 52.13 C ATOM 1356 CE LYS A 89 9.277 -18.027 9.179 1.00 14.53 C ATOM 1357 NZ LYS A 89 8.738 -19.332 8.708 1.00 62.35 N ATOM 0 H LYS A 89 4.897 -17.870 6.015 1.00 13.35 H new ATOM 0 HA LYS A 89 5.450 -15.396 7.434 1.00 11.31 H new ATOM 0 HB2 LYS A 89 6.418 -17.706 7.961 1.00 1.34 H new ATOM 0 HB3 LYS A 89 7.358 -17.565 6.488 1.00 1.34 H new ATOM 0 HG2 LYS A 89 8.107 -15.249 7.567 1.00 14.21 H new ATOM 0 HG3 LYS A 89 7.615 -16.028 9.058 1.00 14.21 H new ATOM 0 HD2 LYS A 89 9.439 -17.461 7.114 1.00 52.13 H new ATOM 0 HD3 LYS A 89 10.090 -16.280 8.233 1.00 52.13 H new ATOM 0 HE2 LYS A 89 10.296 -18.165 9.542 1.00 14.53 H new ATOM 0 HE3 LYS A 89 8.684 -17.672 10.022 1.00 14.53 H new ATOM 0 HZ1 LYS A 89 9.032 -20.085 9.362 1.00 62.35 H new ATOM 0 HZ2 LYS A 89 7.699 -19.287 8.676 1.00 62.35 H new ATOM 0 HZ3 LYS A 89 9.105 -19.536 7.757 1.00 62.35 H new ATOM 1371 N ASP A 90 6.292 -15.876 4.313 1.00 41.23 N ATOM 1372 CA ASP A 90 6.802 -15.220 3.114 1.00 10.22 C ATOM 1373 C ASP A 90 5.735 -14.329 2.487 1.00 54.42 C ATOM 1374 O ASP A 90 4.690 -14.078 3.088 1.00 53.45 O ATOM 1375 CB ASP A 90 7.276 -16.261 2.099 1.00 34.32 C ATOM 1376 CG ASP A 90 8.202 -17.291 2.716 1.00 41.23 C ATOM 1377 OD1 ASP A 90 9.387 -16.965 2.938 1.00 65.53 O ATOM 1378 OD2 ASP A 90 7.742 -18.422 2.977 1.00 52.31 O ATOM 0 H ASP A 90 5.877 -16.793 4.148 1.00 41.23 H new ATOM 0 HA ASP A 90 7.647 -14.596 3.403 1.00 10.22 H new ATOM 0 HB2 ASP A 90 6.411 -16.766 1.669 1.00 34.32 H new ATOM 0 HB3 ASP A 90 7.791 -15.758 1.280 1.00 34.32 H new ATOM 1383 N ASP A 91 6.005 -13.853 1.276 1.00 4.34 N ATOM 1384 CA ASP A 91 5.068 -12.989 0.567 1.00 24.12 C ATOM 1385 C ASP A 91 4.273 -13.782 -0.465 1.00 64.24 C ATOM 1386 O ASP A 91 3.903 -13.256 -1.515 1.00 63.25 O ATOM 1387 CB ASP A 91 5.816 -11.843 -0.117 1.00 35.04 C ATOM 1388 CG ASP A 91 6.889 -12.337 -1.067 1.00 12.24 C ATOM 1389 OD1 ASP A 91 6.548 -12.689 -2.215 1.00 33.22 O ATOM 1390 OD2 ASP A 91 8.070 -12.372 -0.662 1.00 11.34 O ATOM 0 H ASP A 91 6.865 -14.051 0.765 1.00 4.34 H new ATOM 0 HA ASP A 91 4.371 -12.574 1.295 1.00 24.12 H new ATOM 0 HB2 ASP A 91 5.105 -11.226 -0.666 1.00 35.04 H new ATOM 0 HB3 ASP A 91 6.272 -11.207 0.642 1.00 35.04 H new ATOM 1395 N ILE A 92 4.016 -15.049 -0.160 1.00 75.41 N ATOM 1396 CA ILE A 92 3.265 -15.914 -1.062 1.00 33.23 C ATOM 1397 C ILE A 92 2.043 -16.505 -0.366 1.00 52.24 C ATOM 1398 O ILE A 92 2.168 -17.243 0.611 1.00 74.21 O ATOM 1399 CB ILE A 92 4.140 -17.062 -1.600 1.00 13.31 C ATOM 1400 CG1 ILE A 92 5.355 -16.501 -2.341 1.00 4.13 C ATOM 1401 CG2 ILE A 92 3.325 -17.965 -2.514 1.00 45.44 C ATOM 1402 CD1 ILE A 92 6.269 -17.570 -2.899 1.00 53.41 C ATOM 0 H ILE A 92 4.316 -15.500 0.704 1.00 75.41 H new ATOM 0 HA ILE A 92 2.940 -15.293 -1.897 1.00 33.23 H new ATOM 0 HB ILE A 92 4.494 -17.656 -0.757 1.00 13.31 H new ATOM 0 HG12 ILE A 92 5.011 -15.866 -3.157 1.00 4.13 H new ATOM 0 HG13 ILE A 92 5.924 -15.866 -1.661 1.00 4.13 H new ATOM 0 HG21 ILE A 92 3.957 -18.771 -2.886 1.00 45.44 H new ATOM 0 HG22 ILE A 92 2.489 -18.387 -1.957 1.00 45.44 H new ATOM 0 HG23 ILE A 92 2.945 -17.384 -3.354 1.00 45.44 H new ATOM 0 HD11 ILE A 92 7.109 -17.100 -3.411 1.00 53.41 H new ATOM 0 HD12 ILE A 92 6.642 -18.191 -2.085 1.00 53.41 H new ATOM 0 HD13 ILE A 92 5.715 -18.190 -3.604 1.00 53.41 H new ATOM 1414 N PHE A 93 0.861 -16.176 -0.878 1.00 2.00 N ATOM 1415 CA PHE A 93 -0.385 -16.674 -0.307 1.00 24.51 C ATOM 1416 C PHE A 93 -0.956 -17.808 -1.154 1.00 23.24 C ATOM 1417 O PHE A 93 -1.331 -17.606 -2.309 1.00 21.34 O ATOM 1418 CB PHE A 93 -1.407 -15.542 -0.194 1.00 35.23 C ATOM 1419 CG PHE A 93 -2.705 -15.967 0.432 1.00 0.15 C ATOM 1420 CD1 PHE A 93 -2.714 -16.741 1.582 1.00 71.24 C ATOM 1421 CD2 PHE A 93 -3.915 -15.592 -0.128 1.00 14.54 C ATOM 1422 CE1 PHE A 93 -3.907 -17.134 2.159 1.00 3.12 C ATOM 1423 CE2 PHE A 93 -5.111 -15.981 0.446 1.00 52.01 C ATOM 1424 CZ PHE A 93 -5.107 -16.752 1.591 1.00 23.44 C ATOM 0 H PHE A 93 0.740 -15.567 -1.687 1.00 2.00 H new ATOM 0 HA PHE A 93 -0.170 -17.061 0.689 1.00 24.51 H new ATOM 0 HB2 PHE A 93 -0.977 -14.732 0.395 1.00 35.23 H new ATOM 0 HB3 PHE A 93 -1.606 -15.142 -1.188 1.00 35.23 H new ATOM 0 HD1 PHE A 93 -1.779 -17.040 2.032 1.00 71.24 H new ATOM 0 HD2 PHE A 93 -3.924 -14.989 -1.024 1.00 14.54 H new ATOM 0 HE1 PHE A 93 -3.901 -17.739 3.053 1.00 3.12 H new ATOM 0 HE2 PHE A 93 -6.048 -15.682 -0.001 1.00 52.01 H new ATOM 0 HZ PHE A 93 -6.040 -17.056 2.042 1.00 23.44 H new ATOM 1434 N ARG A 94 -1.017 -19.001 -0.570 1.00 55.25 N ATOM 1435 CA ARG A 94 -1.541 -20.168 -1.271 1.00 4.51 C ATOM 1436 C ARG A 94 -2.972 -20.466 -0.836 1.00 34.01 C ATOM 1437 O ARG A 94 -3.304 -20.374 0.346 1.00 32.14 O ATOM 1438 CB ARG A 94 -0.653 -21.386 -1.011 1.00 2.24 C ATOM 1439 CG ARG A 94 -0.356 -21.620 0.462 1.00 53.03 C ATOM 1440 CD ARG A 94 1.053 -21.177 0.824 1.00 54.14 C ATOM 1441 NE ARG A 94 1.296 -21.246 2.262 1.00 73.20 N ATOM 1442 CZ ARG A 94 1.611 -22.367 2.901 1.00 64.22 C ATOM 1443 NH1 ARG A 94 1.722 -23.507 2.232 1.00 41.40 N ATOM 1444 NH2 ARG A 94 1.818 -22.350 4.212 1.00 54.25 N ATOM 0 H ARG A 94 -0.711 -19.185 0.385 1.00 55.25 H new ATOM 0 HA ARG A 94 -1.543 -19.949 -2.339 1.00 4.51 H new ATOM 0 HB2 ARG A 94 -1.137 -22.272 -1.421 1.00 2.24 H new ATOM 0 HB3 ARG A 94 0.288 -21.260 -1.547 1.00 2.24 H new ATOM 0 HG2 ARG A 94 -1.077 -21.075 1.071 1.00 53.03 H new ATOM 0 HG3 ARG A 94 -0.477 -22.678 0.695 1.00 53.03 H new ATOM 0 HD2 ARG A 94 1.776 -21.806 0.304 1.00 54.14 H new ATOM 0 HD3 ARG A 94 1.212 -20.156 0.478 1.00 54.14 H new ATOM 0 HE ARG A 94 1.220 -20.386 2.806 1.00 73.20 H new ATOM 0 HH11 ARG A 94 1.565 -23.524 1.224 1.00 41.40 H new ATOM 0 HH12 ARG A 94 1.964 -24.366 2.725 1.00 41.40 H new ATOM 0 HH21 ARG A 94 1.735 -21.475 4.730 1.00 54.25 H new ATOM 0 HH22 ARG A 94 2.060 -23.212 4.701 1.00 54.25 H new ATOM 1458 N ILE A 95 -3.816 -20.823 -1.799 1.00 4.22 N ATOM 1459 CA ILE A 95 -5.211 -21.135 -1.515 1.00 2.02 C ATOM 1460 C ILE A 95 -5.698 -22.300 -2.370 1.00 14.24 C ATOM 1461 O ILE A 95 -5.255 -22.479 -3.504 1.00 70.22 O ATOM 1462 CB ILE A 95 -6.121 -19.917 -1.759 1.00 72.13 C ATOM 1463 CG1 ILE A 95 -5.822 -19.295 -3.125 1.00 30.11 C ATOM 1464 CG2 ILE A 95 -5.940 -18.890 -0.652 1.00 50.41 C ATOM 1465 CD1 ILE A 95 -6.767 -18.175 -3.499 1.00 34.11 C ATOM 0 H ILE A 95 -3.558 -20.903 -2.782 1.00 4.22 H new ATOM 0 HA ILE A 95 -5.265 -21.413 -0.462 1.00 2.02 H new ATOM 0 HB ILE A 95 -7.159 -20.250 -1.752 1.00 72.13 H new ATOM 0 HG12 ILE A 95 -4.801 -18.913 -3.126 1.00 30.11 H new ATOM 0 HG13 ILE A 95 -5.872 -20.072 -3.888 1.00 30.11 H new ATOM 0 HG21 ILE A 95 -6.590 -18.035 -0.839 1.00 50.41 H new ATOM 0 HG22 ILE A 95 -6.198 -19.339 0.307 1.00 50.41 H new ATOM 0 HG23 ILE A 95 -4.902 -18.558 -0.630 1.00 50.41 H new ATOM 0 HD11 ILE A 95 -6.495 -17.782 -4.479 1.00 34.11 H new ATOM 0 HD12 ILE A 95 -7.788 -18.556 -3.531 1.00 34.11 H new ATOM 0 HD13 ILE A 95 -6.700 -17.379 -2.757 1.00 34.11 H new ATOM 1477 N TYR A 96 -6.615 -23.088 -1.818 1.00 43.14 N ATOM 1478 CA TYR A 96 -7.163 -24.236 -2.530 1.00 21.42 C ATOM 1479 C TYR A 96 -8.541 -23.917 -3.100 1.00 54.21 C ATOM 1480 O TYR A 96 -9.517 -23.789 -2.360 1.00 0.32 O ATOM 1481 CB TYR A 96 -7.252 -25.445 -1.597 1.00 74.40 C ATOM 1482 CG TYR A 96 -5.905 -26.015 -1.213 1.00 14.33 C ATOM 1483 CD1 TYR A 96 -5.007 -25.274 -0.454 1.00 51.14 C ATOM 1484 CD2 TYR A 96 -5.531 -27.293 -1.609 1.00 5.45 C ATOM 1485 CE1 TYR A 96 -3.775 -25.790 -0.101 1.00 50.53 C ATOM 1486 CE2 TYR A 96 -4.301 -27.817 -1.259 1.00 12.21 C ATOM 1487 CZ TYR A 96 -3.427 -27.061 -0.506 1.00 21.55 C ATOM 1488 OH TYR A 96 -2.201 -27.580 -0.156 1.00 42.44 O ATOM 0 H TYR A 96 -6.994 -22.952 -0.881 1.00 43.14 H new ATOM 0 HA TYR A 96 -6.494 -24.472 -3.358 1.00 21.42 H new ATOM 0 HB2 TYR A 96 -7.786 -25.156 -0.692 1.00 74.40 H new ATOM 0 HB3 TYR A 96 -7.842 -26.224 -2.080 1.00 74.40 H new ATOM 0 HD1 TYR A 96 -5.277 -24.278 -0.135 1.00 51.14 H new ATOM 0 HD2 TYR A 96 -6.213 -27.887 -2.200 1.00 5.45 H new ATOM 0 HE1 TYR A 96 -3.088 -25.201 0.489 1.00 50.53 H new ATOM 0 HE2 TYR A 96 -4.026 -28.813 -1.573 1.00 12.21 H new ATOM 0 HH TYR A 96 -2.113 -28.486 -0.520 1.00 42.44 H new ATOM 1498 N ILE A 97 -8.613 -23.790 -4.421 1.00 30.12 N ATOM 1499 CA ILE A 97 -9.871 -23.487 -5.092 1.00 32.45 C ATOM 1500 C ILE A 97 -10.629 -24.764 -5.440 1.00 51.25 C ATOM 1501 O ILE A 97 -10.052 -25.721 -5.957 1.00 4.22 O ATOM 1502 CB ILE A 97 -9.642 -22.672 -6.378 1.00 24.22 C ATOM 1503 CG1 ILE A 97 -8.678 -21.515 -6.109 1.00 4.21 C ATOM 1504 CG2 ILE A 97 -10.965 -22.152 -6.918 1.00 51.43 C ATOM 1505 CD1 ILE A 97 -9.136 -20.592 -5.001 1.00 44.14 C ATOM 0 H ILE A 97 -7.815 -23.892 -5.048 1.00 30.12 H new ATOM 0 HA ILE A 97 -10.464 -22.893 -4.397 1.00 32.45 H new ATOM 0 HB ILE A 97 -9.197 -23.324 -7.130 1.00 24.22 H new ATOM 0 HG12 ILE A 97 -7.699 -21.920 -5.852 1.00 4.21 H new ATOM 0 HG13 ILE A 97 -8.553 -20.937 -7.024 1.00 4.21 H new ATOM 0 HG21 ILE A 97 -10.786 -21.578 -7.827 1.00 51.43 H new ATOM 0 HG22 ILE A 97 -11.622 -22.992 -7.143 1.00 51.43 H new ATOM 0 HG23 ILE A 97 -11.436 -21.512 -6.172 1.00 51.43 H new ATOM 0 HD11 ILE A 97 -8.404 -19.795 -4.865 1.00 44.14 H new ATOM 0 HD12 ILE A 97 -10.100 -20.158 -5.264 1.00 44.14 H new ATOM 0 HD13 ILE A 97 -9.234 -21.157 -4.074 1.00 44.14 H new ATOM 1517 N LYS A 98 -11.927 -24.771 -5.157 1.00 12.12 N ATOM 1518 CA LYS A 98 -12.767 -25.928 -5.443 1.00 11.11 C ATOM 1519 C LYS A 98 -14.135 -25.493 -5.959 1.00 40.10 C ATOM 1520 O LYS A 98 -14.823 -24.696 -5.322 1.00 75.41 O ATOM 1521 CB LYS A 98 -12.933 -26.786 -4.187 1.00 34.31 C ATOM 1522 CG LYS A 98 -11.938 -27.930 -4.096 1.00 34.31 C ATOM 1523 CD LYS A 98 -12.481 -29.076 -3.259 1.00 33.15 C ATOM 1524 CE LYS A 98 -11.802 -30.392 -3.607 1.00 53.22 C ATOM 1525 NZ LYS A 98 -12.700 -31.557 -3.378 1.00 75.21 N ATOM 0 H LYS A 98 -12.421 -23.988 -4.729 1.00 12.12 H new ATOM 0 HA LYS A 98 -12.277 -26.519 -6.217 1.00 11.11 H new ATOM 0 HB2 LYS A 98 -12.826 -26.152 -3.307 1.00 34.31 H new ATOM 0 HB3 LYS A 98 -13.944 -27.192 -4.166 1.00 34.31 H new ATOM 0 HG2 LYS A 98 -11.703 -28.289 -5.098 1.00 34.31 H new ATOM 0 HG3 LYS A 98 -11.006 -27.569 -3.660 1.00 34.31 H new ATOM 0 HD2 LYS A 98 -12.333 -28.858 -2.201 1.00 33.15 H new ATOM 0 HD3 LYS A 98 -13.556 -29.167 -3.418 1.00 33.15 H new ATOM 0 HE2 LYS A 98 -11.489 -30.374 -4.651 1.00 53.22 H new ATOM 0 HE3 LYS A 98 -10.900 -30.505 -3.006 1.00 53.22 H new ATOM 0 HZ1 LYS A 98 -12.200 -32.435 -3.627 1.00 75.21 H new ATOM 0 HZ2 LYS A 98 -12.978 -31.589 -2.376 1.00 75.21 H new ATOM 0 HZ3 LYS A 98 -13.549 -31.462 -3.971 1.00 75.21 H new ATOM 1539 N GLU A 99 -14.522 -26.022 -7.115 1.00 71.43 N ATOM 1540 CA GLU A 99 -15.808 -25.688 -7.715 1.00 75.22 C ATOM 1541 C GLU A 99 -16.943 -26.436 -7.021 1.00 12.33 C ATOM 1542 O GLU A 99 -16.833 -27.628 -6.733 1.00 4.30 O ATOM 1543 CB GLU A 99 -15.802 -26.022 -9.208 1.00 50.25 C ATOM 1544 CG GLU A 99 -15.372 -27.447 -9.512 1.00 22.11 C ATOM 1545 CD GLU A 99 -16.487 -28.277 -10.117 1.00 54.11 C ATOM 1546 OE1 GLU A 99 -16.848 -28.025 -11.286 1.00 24.42 O ATOM 1547 OE2 GLU A 99 -17.000 -29.178 -9.421 1.00 61.40 O ATOM 0 H GLU A 99 -13.964 -26.683 -7.655 1.00 71.43 H new ATOM 0 HA GLU A 99 -15.971 -24.617 -7.590 1.00 75.22 H new ATOM 0 HB2 GLU A 99 -16.801 -25.859 -9.612 1.00 50.25 H new ATOM 0 HB3 GLU A 99 -15.134 -25.332 -9.723 1.00 50.25 H new ATOM 0 HG2 GLU A 99 -14.525 -27.428 -10.198 1.00 22.11 H new ATOM 0 HG3 GLU A 99 -15.028 -27.922 -8.593 1.00 22.11 H new ATOM 1554 N LYS A 100 -18.035 -25.726 -6.753 1.00 65.45 N ATOM 1555 CA LYS A 100 -19.191 -26.320 -6.094 1.00 31.44 C ATOM 1556 C LYS A 100 -19.903 -27.301 -7.021 1.00 3.43 C ATOM 1557 O LYS A 100 -20.237 -28.416 -6.622 1.00 20.43 O ATOM 1558 CB LYS A 100 -20.165 -25.228 -5.645 1.00 24.34 C ATOM 1559 CG LYS A 100 -19.573 -24.266 -4.629 1.00 60.12 C ATOM 1560 CD LYS A 100 -20.644 -23.683 -3.723 1.00 75.21 C ATOM 1561 CE LYS A 100 -21.605 -22.793 -4.497 1.00 4.43 C ATOM 1562 NZ LYS A 100 -22.683 -22.250 -3.625 1.00 21.35 N ATOM 0 H LYS A 100 -18.142 -24.738 -6.983 1.00 65.45 H new ATOM 0 HA LYS A 100 -18.838 -26.866 -5.219 1.00 31.44 H new ATOM 0 HB2 LYS A 100 -20.494 -24.664 -6.518 1.00 24.34 H new ATOM 0 HB3 LYS A 100 -21.051 -25.697 -5.216 1.00 24.34 H new ATOM 0 HG2 LYS A 100 -18.828 -24.785 -4.026 1.00 60.12 H new ATOM 0 HG3 LYS A 100 -19.056 -23.459 -5.149 1.00 60.12 H new ATOM 0 HD2 LYS A 100 -21.199 -24.491 -3.247 1.00 75.21 H new ATOM 0 HD3 LYS A 100 -20.174 -23.106 -2.926 1.00 75.21 H new ATOM 0 HE2 LYS A 100 -21.053 -21.968 -4.948 1.00 4.43 H new ATOM 0 HE3 LYS A 100 -22.050 -23.362 -5.313 1.00 4.43 H new ATOM 0 HZ1 LYS A 100 -23.317 -21.649 -4.190 1.00 21.35 H new ATOM 0 HZ2 LYS A 100 -23.226 -23.036 -3.214 1.00 21.35 H new ATOM 0 HZ3 LYS A 100 -22.260 -21.685 -2.861 1.00 21.35 H new