USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 801 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 15 SER OG : rot 135:sc=-0.00754 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -138:sc= 0.48 (180deg=-0.047) USER MOD Single : A 9 HIS : no HD1:sc=-0.000909 X(o=-0.00091,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00713 USER MOD Single : A 33 ASN : amide:sc= -0.0562 X(o=-0.056,f=-0.064) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 137:sc= -0.524 (180deg=-2.51!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00443 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 94 SER OG : rot -9:sc= 0.0122 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 106 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=-0.26) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -3.33! C(o=-3.3!,f=-7.1!) USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 125 GLN : amide:sc= -5.29 X(o=-5.3,f=-5.7!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -3.13 K(o=-3.1,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 94 N HIS A 9 -14.087 2.658 -3.772 1.00 22.41 N ATOM 95 CA HIS A 9 -15.350 2.574 -4.496 1.00 40.14 C ATOM 96 C HIS A 9 -16.533 2.717 -3.544 1.00 0.44 C ATOM 97 O HIS A 9 -16.400 2.506 -2.339 1.00 31.34 O ATOM 98 CB HIS A 9 -15.442 1.247 -5.250 1.00 13.31 C ATOM 99 CG HIS A 9 -14.909 1.314 -6.647 1.00 14.24 C ATOM 100 ND1 HIS A 9 -15.424 0.564 -7.685 1.00 60.14 N ATOM 101 CD2 HIS A 9 -13.903 2.046 -7.177 1.00 65.44 C ATOM 102 CE1 HIS A 9 -14.755 0.834 -8.793 1.00 42.51 C ATOM 103 NE2 HIS A 9 -13.827 1.730 -8.512 1.00 14.34 N ATOM 0 HA HIS A 9 -15.385 3.394 -5.214 1.00 40.14 H new ATOM 0 HB2 HIS A 9 -14.893 0.485 -4.697 1.00 13.31 H new ATOM 0 HB3 HIS A 9 -16.484 0.928 -5.282 1.00 13.31 H new ATOM 0 HD2 HIS A 9 -13.276 2.749 -6.649 1.00 65.44 H new ATOM 0 HE1 HIS A 9 -14.937 0.396 -9.763 1.00 42.51 H new ATOM 0 HE2 HIS A 9 -13.162 2.124 -9.178 1.00 14.34 H new ATOM 111 N ILE A 10 -17.688 3.075 -4.094 1.00 62.41 N ATOM 112 CA ILE A 10 -18.895 3.245 -3.292 1.00 5.23 C ATOM 113 C ILE A 10 -20.117 2.688 -4.015 1.00 41.15 C ATOM 114 O ILE A 10 -20.233 2.800 -5.234 1.00 13.04 O ATOM 115 CB ILE A 10 -19.142 4.727 -2.955 1.00 51.44 C ATOM 116 CG1 ILE A 10 -18.000 5.276 -2.098 1.00 72.52 C ATOM 117 CG2 ILE A 10 -20.475 4.891 -2.239 1.00 54.40 C ATOM 118 CD1 ILE A 10 -18.086 6.767 -1.859 1.00 33.02 C ATOM 0 H ILE A 10 -17.814 3.253 -5.090 1.00 62.41 H new ATOM 0 HA ILE A 10 -18.740 2.692 -2.366 1.00 5.23 H new ATOM 0 HB ILE A 10 -19.178 5.295 -3.885 1.00 51.44 H new ATOM 0 HG12 ILE A 10 -17.998 4.762 -1.137 1.00 72.52 H new ATOM 0 HG13 ILE A 10 -17.051 5.048 -2.583 1.00 72.52 H new ATOM 0 HG21 ILE A 10 -20.636 5.944 -2.007 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -21.280 4.534 -2.882 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -20.465 4.313 -1.315 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -17.244 7.086 -1.244 1.00 33.02 H new ATOM 0 HD12 ILE A 10 -18.057 7.291 -2.814 1.00 33.02 H new ATOM 0 HD13 ILE A 10 -19.019 7.000 -1.346 1.00 33.02 H new ATOM 130 N GLU A 11 -21.026 2.089 -3.252 1.00 14.33 N ATOM 131 CA GLU A 11 -22.241 1.515 -3.820 1.00 21.25 C ATOM 132 C GLU A 11 -23.260 2.605 -4.138 1.00 42.40 C ATOM 133 O GLU A 11 -23.115 3.749 -3.707 1.00 51.11 O ATOM 134 CB GLU A 11 -22.850 0.497 -2.854 1.00 50.43 C ATOM 135 CG GLU A 11 -23.177 -0.837 -3.502 1.00 44.11 C ATOM 136 CD GLU A 11 -21.987 -1.446 -4.217 1.00 11.42 C ATOM 137 OE1 GLU A 11 -20.874 -1.411 -3.649 1.00 55.02 O ATOM 138 OE2 GLU A 11 -22.166 -1.958 -5.341 1.00 31.51 O1- ATOM 0 H GLU A 11 -20.945 1.989 -2.240 1.00 14.33 H new ATOM 0 HA GLU A 11 -21.975 1.009 -4.748 1.00 21.25 H new ATOM 0 HB2 GLU A 11 -22.156 0.331 -2.030 1.00 50.43 H new ATOM 0 HB3 GLU A 11 -23.760 0.916 -2.425 1.00 50.43 H new ATOM 0 HG2 GLU A 11 -23.531 -1.530 -2.739 1.00 44.11 H new ATOM 0 HG3 GLU A 11 -23.992 -0.701 -4.212 1.00 44.11 H new ATOM 145 N GLU A 12 -24.290 2.241 -4.894 1.00 22.22 N ATOM 146 CA GLU A 12 -25.333 3.189 -5.271 1.00 35.34 C ATOM 147 C GLU A 12 -26.715 2.553 -5.154 1.00 30.44 C ATOM 148 O GLU A 12 -27.066 1.658 -5.924 1.00 41.32 O ATOM 149 CB GLU A 12 -25.108 3.687 -6.699 1.00 64.20 C ATOM 150 CG GLU A 12 -23.749 4.331 -6.914 1.00 75.35 C ATOM 151 CD GLU A 12 -23.732 5.799 -6.535 1.00 25.02 C ATOM 152 OE1 GLU A 12 -24.821 6.411 -6.486 1.00 51.50 O ATOM 153 OE2 GLU A 12 -22.633 6.336 -6.287 1.00 22.11 O1- ATOM 0 H GLU A 12 -24.425 1.298 -5.258 1.00 22.22 H new ATOM 0 HA GLU A 12 -25.283 4.036 -4.587 1.00 35.34 H new ATOM 0 HB2 GLU A 12 -25.216 2.849 -7.388 1.00 64.20 H new ATOM 0 HB3 GLU A 12 -25.886 4.408 -6.950 1.00 64.20 H new ATOM 0 HG2 GLU A 12 -23.002 3.799 -6.325 1.00 75.35 H new ATOM 0 HG3 GLU A 12 -23.463 4.227 -7.961 1.00 75.35 H new ATOM 160 N TYR A 13 -27.495 3.020 -4.185 1.00 22.50 N ATOM 161 CA TYR A 13 -28.837 2.495 -3.964 1.00 61.54 C ATOM 162 C TYR A 13 -29.884 3.593 -4.120 1.00 2.15 C ATOM 163 O TYR A 13 -29.718 4.700 -3.610 1.00 12.31 O ATOM 164 CB TYR A 13 -28.940 1.871 -2.572 1.00 3.33 C ATOM 165 CG TYR A 13 -28.224 0.545 -2.448 1.00 52.40 C ATOM 166 CD1 TYR A 13 -28.818 -0.633 -2.887 1.00 2.40 C ATOM 167 CD2 TYR A 13 -26.953 0.469 -1.891 1.00 44.14 C ATOM 168 CE1 TYR A 13 -28.168 -1.846 -2.776 1.00 40.42 C ATOM 169 CE2 TYR A 13 -26.294 -0.741 -1.777 1.00 2.10 C ATOM 170 CZ TYR A 13 -26.906 -1.895 -2.220 1.00 52.02 C ATOM 171 OH TYR A 13 -26.254 -3.102 -2.107 1.00 41.41 O ATOM 0 H TYR A 13 -27.221 3.761 -3.540 1.00 22.50 H new ATOM 0 HA TYR A 13 -29.027 1.727 -4.714 1.00 61.54 H new ATOM 0 HB2 TYR A 13 -28.529 2.566 -1.840 1.00 3.33 H new ATOM 0 HB3 TYR A 13 -29.992 1.731 -2.323 1.00 3.33 H new ATOM 0 HD1 TYR A 13 -29.806 -0.599 -3.323 1.00 2.40 H new ATOM 0 HD2 TYR A 13 -26.472 1.370 -1.541 1.00 44.14 H new ATOM 0 HE1 TYR A 13 -28.644 -2.751 -3.122 1.00 40.42 H new ATOM 0 HE2 TYR A 13 -25.306 -0.782 -1.344 1.00 2.10 H new ATOM 0 HH TYR A 13 -25.376 -2.962 -1.696 1.00 41.41 H new ATOM 181 N GLU A 14 -30.964 3.276 -4.829 1.00 51.13 N ATOM 182 CA GLU A 14 -32.038 4.236 -5.054 1.00 44.05 C ATOM 183 C GLU A 14 -33.334 3.763 -4.402 1.00 34.43 C ATOM 184 O GLU A 14 -33.485 2.585 -4.079 1.00 43.23 O ATOM 185 CB GLU A 14 -32.257 4.451 -6.553 1.00 41.01 C ATOM 186 CG GLU A 14 -33.025 5.720 -6.880 1.00 63.43 C ATOM 187 CD GLU A 14 -33.123 5.973 -8.373 1.00 53.14 C ATOM 188 OE1 GLU A 14 -32.749 5.073 -9.152 1.00 2.11 O ATOM 189 OE2 GLU A 14 -33.574 7.071 -8.759 1.00 40.11 O1- ATOM 0 H GLU A 14 -31.118 2.363 -5.257 1.00 51.13 H new ATOM 0 HA GLU A 14 -31.746 5.182 -4.599 1.00 44.05 H new ATOM 0 HB2 GLU A 14 -31.289 4.484 -7.052 1.00 41.01 H new ATOM 0 HB3 GLU A 14 -32.796 3.595 -6.959 1.00 41.01 H new ATOM 0 HG2 GLU A 14 -34.028 5.652 -6.460 1.00 63.43 H new ATOM 0 HG3 GLU A 14 -32.537 6.569 -6.402 1.00 63.43 H new ATOM 196 N SER A 15 -34.267 4.691 -4.212 1.00 45.22 N ATOM 197 CA SER A 15 -35.549 4.371 -3.596 1.00 21.12 C ATOM 198 C SER A 15 -36.489 5.572 -3.640 1.00 40.40 C ATOM 199 O SER A 15 -36.166 6.645 -3.131 1.00 61.11 O ATOM 200 CB SER A 15 -35.344 3.923 -2.147 1.00 50.55 C ATOM 201 OG SER A 15 -36.506 4.160 -1.371 1.00 60.35 O ATOM 0 H SER A 15 -34.159 5.670 -4.476 1.00 45.22 H new ATOM 0 HA SER A 15 -36.002 3.557 -4.161 1.00 21.12 H new ATOM 0 HB2 SER A 15 -35.097 2.862 -2.123 1.00 50.55 H new ATOM 0 HB3 SER A 15 -34.498 4.457 -1.714 1.00 50.55 H new ATOM 0 HG SER A 15 -36.698 3.372 -0.820 1.00 60.35 H new ATOM 207 N GLU A 16 -37.652 5.383 -4.256 1.00 11.34 N ATOM 208 CA GLU A 16 -38.638 6.451 -4.369 1.00 40.23 C ATOM 209 C GLU A 16 -40.054 5.901 -4.228 1.00 3.23 C ATOM 210 O GLU A 16 -40.391 4.869 -4.808 1.00 64.35 O ATOM 211 CB GLU A 16 -38.490 7.172 -5.709 1.00 4.30 C ATOM 212 CG GLU A 16 -39.076 6.404 -6.883 1.00 43.20 C ATOM 213 CD GLU A 16 -38.442 6.787 -8.205 1.00 63.23 C ATOM 214 OE1 GLU A 16 -37.809 7.860 -8.271 1.00 62.45 O ATOM 215 OE2 GLU A 16 -38.581 6.013 -9.176 1.00 71.20 O1- ATOM 0 H GLU A 16 -37.934 4.501 -4.684 1.00 11.34 H new ATOM 0 HA GLU A 16 -38.461 7.161 -3.561 1.00 40.23 H new ATOM 0 HB2 GLU A 16 -38.976 8.145 -5.644 1.00 4.30 H new ATOM 0 HB3 GLU A 16 -37.432 7.356 -5.898 1.00 4.30 H new ATOM 0 HG2 GLU A 16 -38.942 5.335 -6.716 1.00 43.20 H new ATOM 0 HG3 GLU A 16 -40.149 6.587 -6.933 1.00 43.20 H new ATOM 222 N ALA A 17 -40.879 6.597 -3.453 1.00 45.31 N ATOM 223 CA ALA A 17 -42.260 6.180 -3.236 1.00 31.31 C ATOM 224 C ALA A 17 -43.107 6.424 -4.480 1.00 53.14 C ATOM 225 O ALA A 17 -43.580 7.536 -4.713 1.00 52.54 O ATOM 226 CB ALA A 17 -42.851 6.911 -2.040 1.00 33.40 C ATOM 0 H ALA A 17 -40.615 7.453 -2.964 1.00 45.31 H new ATOM 0 HA ALA A 17 -42.263 5.110 -3.030 1.00 31.31 H new ATOM 0 HB1 ALA A 17 -43.882 6.590 -1.890 1.00 33.40 H new ATOM 0 HB2 ALA A 17 -42.267 6.683 -1.149 1.00 33.40 H new ATOM 0 HB3 ALA A 17 -42.829 7.985 -2.223 1.00 33.40 H new ATOM 232 N ARG A 18 -43.297 5.376 -5.276 1.00 33.11 N ATOM 233 CA ARG A 18 -44.087 5.477 -6.497 1.00 74.51 C ATOM 234 C ARG A 18 -45.576 5.336 -6.195 1.00 1.22 C ATOM 235 O ARG A 18 -45.966 4.621 -5.271 1.00 0.43 O ATOM 236 CB ARG A 18 -43.655 4.406 -7.500 1.00 24.01 C ATOM 237 CG ARG A 18 -42.165 4.415 -7.797 1.00 71.34 C ATOM 238 CD ARG A 18 -41.858 3.748 -9.129 1.00 21.32 C ATOM 239 NE ARG A 18 -42.164 4.618 -10.260 1.00 34.15 N ATOM 240 CZ ARG A 18 -41.780 4.365 -11.507 1.00 3.12 C ATOM 241 NH1 ARG A 18 -41.079 3.273 -11.779 1.00 25.32 N1+ ATOM 242 NH2 ARG A 18 -42.098 5.204 -12.484 1.00 33.24 N ATOM 0 H ARG A 18 -42.914 4.448 -5.097 1.00 33.11 H new ATOM 0 HA ARG A 18 -43.914 6.462 -6.931 1.00 74.51 H new ATOM 0 HB2 ARG A 18 -43.934 3.425 -7.114 1.00 24.01 H new ATOM 0 HB3 ARG A 18 -44.203 4.550 -8.431 1.00 24.01 H new ATOM 0 HG2 ARG A 18 -41.802 5.443 -7.811 1.00 71.34 H new ATOM 0 HG3 ARG A 18 -41.631 3.899 -6.999 1.00 71.34 H new ATOM 0 HD2 ARG A 18 -40.805 3.469 -9.161 1.00 21.32 H new ATOM 0 HD3 ARG A 18 -42.434 2.827 -9.214 1.00 21.32 H new ATOM 0 HE ARG A 18 -42.702 5.467 -10.084 1.00 34.15 H new ATOM 0 HH11 ARG A 18 -40.833 2.625 -11.031 1.00 25.32 H new ATOM 0 HH12 ARG A 18 -40.785 3.081 -12.737 1.00 25.32 H new ATOM 0 HH21 ARG A 18 -42.638 6.045 -12.279 1.00 33.24 H new ATOM 0 HH22 ARG A 18 -41.803 5.008 -13.440 1.00 33.24 H new ATOM 256 N ASP A 19 -46.402 6.021 -6.977 1.00 32.20 N ATOM 257 CA ASP A 19 -47.847 5.972 -6.794 1.00 41.34 C ATOM 258 C ASP A 19 -48.414 4.648 -7.300 1.00 44.41 C ATOM 259 O ASP A 19 -48.115 4.217 -8.413 1.00 5.35 O ATOM 260 CB ASP A 19 -48.515 7.139 -7.523 1.00 22.55 C ATOM 261 CG ASP A 19 -48.380 7.034 -9.029 1.00 73.34 C ATOM 262 OD1 ASP A 19 -47.275 6.696 -9.504 1.00 3.01 O ATOM 263 OD2 ASP A 19 -49.380 7.289 -9.734 1.00 24.34 O1- ATOM 0 H ASP A 19 -46.095 6.618 -7.745 1.00 32.20 H new ATOM 0 HA ASP A 19 -48.056 6.053 -5.727 1.00 41.34 H new ATOM 0 HB2 ASP A 19 -49.572 7.173 -7.257 1.00 22.55 H new ATOM 0 HB3 ASP A 19 -48.072 8.076 -7.186 1.00 22.55 H new ATOM 268 N THR A 20 -49.234 4.007 -6.472 1.00 61.12 N ATOM 269 CA THR A 20 -49.840 2.732 -6.834 1.00 12.12 C ATOM 270 C THR A 20 -51.092 2.939 -7.679 1.00 54.32 C ATOM 271 O THR A 20 -51.603 4.053 -7.788 1.00 54.42 O ATOM 272 CB THR A 20 -50.209 1.911 -5.584 1.00 40.23 C ATOM 273 OG1 THR A 20 -50.717 0.629 -5.972 1.00 70.42 O ATOM 274 CG2 THR A 20 -51.246 2.640 -4.743 1.00 72.02 C ATOM 0 H THR A 20 -49.493 4.350 -5.547 1.00 61.12 H new ATOM 0 HA THR A 20 -49.099 2.183 -7.415 1.00 12.12 H new ATOM 0 HB THR A 20 -49.308 1.778 -4.985 1.00 40.23 H new ATOM 0 HG1 THR A 20 -50.948 0.113 -5.172 1.00 70.42 H new ATOM 0 HG21 THR A 20 -51.490 2.040 -3.866 1.00 72.02 H new ATOM 0 HG22 THR A 20 -50.845 3.602 -4.424 1.00 72.02 H new ATOM 0 HG23 THR A 20 -52.147 2.801 -5.335 1.00 72.02 H new ATOM 282 N LYS A 21 -51.583 1.858 -8.275 1.00 3.44 N ATOM 283 CA LYS A 21 -52.777 1.919 -9.110 1.00 22.44 C ATOM 284 C LYS A 21 -54.036 1.700 -8.276 1.00 14.33 C ATOM 285 O LYS A 21 -55.139 1.599 -8.814 1.00 74.45 O ATOM 286 CB LYS A 21 -52.701 0.872 -10.223 1.00 24.43 C ATOM 287 CG LYS A 21 -52.696 -0.559 -9.713 1.00 51.34 C ATOM 288 CD LYS A 21 -51.282 -1.101 -9.583 1.00 33.02 C ATOM 289 CE LYS A 21 -50.996 -1.577 -8.168 1.00 63.52 C ATOM 290 NZ LYS A 21 -51.226 -3.041 -8.018 1.00 64.01 N1+ ATOM 0 H LYS A 21 -51.172 0.928 -8.195 1.00 3.44 H new ATOM 0 HA LYS A 21 -52.827 2.912 -9.557 1.00 22.44 H new ATOM 0 HB2 LYS A 21 -53.549 1.006 -10.895 1.00 24.43 H new ATOM 0 HB3 LYS A 21 -51.799 1.043 -10.810 1.00 24.43 H new ATOM 0 HG2 LYS A 21 -53.194 -0.602 -8.744 1.00 51.34 H new ATOM 0 HG3 LYS A 21 -53.267 -1.190 -10.393 1.00 51.34 H new ATOM 0 HD2 LYS A 21 -51.142 -1.926 -10.281 1.00 33.02 H new ATOM 0 HD3 LYS A 21 -50.567 -0.326 -9.859 1.00 33.02 H new ATOM 0 HE2 LYS A 21 -49.964 -1.343 -7.908 1.00 63.52 H new ATOM 0 HE3 LYS A 21 -51.632 -1.036 -7.467 1.00 63.52 H new ATOM 0 HZ1 LYS A 21 -51.020 -3.326 -7.039 1.00 64.01 H new ATOM 0 HZ2 LYS A 21 -52.217 -3.261 -8.242 1.00 64.01 H new ATOM 0 HZ3 LYS A 21 -50.601 -3.559 -8.668 1.00 64.01 H new ATOM 304 N LEU A 22 -53.863 1.628 -6.961 1.00 11.11 N ATOM 305 CA LEU A 22 -54.986 1.421 -6.053 1.00 62.04 C ATOM 306 C LEU A 22 -55.369 2.723 -5.356 1.00 2.31 C ATOM 307 O LEU A 22 -56.311 2.762 -4.565 1.00 51.15 O ATOM 308 CB LEU A 22 -54.636 0.357 -5.011 1.00 32.22 C ATOM 309 CG LEU A 22 -55.667 -0.754 -4.813 1.00 53.13 C ATOM 310 CD1 LEU A 22 -57.032 -0.163 -4.497 1.00 24.41 C ATOM 311 CD2 LEU A 22 -55.740 -1.640 -6.048 1.00 34.53 C ATOM 0 H LEU A 22 -52.957 1.710 -6.500 1.00 11.11 H new ATOM 0 HA LEU A 22 -55.838 1.079 -6.641 1.00 62.04 H new ATOM 0 HB2 LEU A 22 -53.688 -0.101 -5.293 1.00 32.22 H new ATOM 0 HB3 LEU A 22 -54.478 0.853 -4.053 1.00 32.22 H new ATOM 0 HG LEU A 22 -55.355 -1.368 -3.968 1.00 53.13 H new ATOM 0 HD11 LEU A 22 -57.754 -0.968 -4.359 1.00 24.41 H new ATOM 0 HD12 LEU A 22 -56.970 0.429 -3.584 1.00 24.41 H new ATOM 0 HD13 LEU A 22 -57.352 0.474 -5.321 1.00 24.41 H new ATOM 0 HD21 LEU A 22 -56.479 -2.425 -5.889 1.00 34.53 H new ATOM 0 HD22 LEU A 22 -56.029 -1.039 -6.910 1.00 34.53 H new ATOM 0 HD23 LEU A 22 -54.765 -2.091 -6.230 1.00 34.53 H new ATOM 323 N GLY A 23 -54.634 3.789 -5.660 1.00 52.15 N ATOM 324 CA GLY A 23 -54.913 5.079 -5.057 1.00 43.34 C ATOM 325 C GLY A 23 -54.124 5.307 -3.784 1.00 14.33 C ATOM 326 O GLY A 23 -54.635 5.154 -2.674 1.00 42.31 O ATOM 0 H GLY A 23 -53.851 3.782 -6.313 1.00 52.15 H new ATOM 0 HA2 GLY A 23 -54.680 5.868 -5.771 1.00 43.34 H new ATOM 0 HA3 GLY A 23 -55.978 5.151 -4.838 1.00 43.34 H new ATOM 330 N PRO A 24 -52.845 5.683 -3.935 1.00 42.45 N ATOM 331 CA PRO A 24 -51.954 5.939 -2.799 1.00 55.11 C ATOM 332 C PRO A 24 -52.337 7.204 -2.037 1.00 31.25 C ATOM 333 O PRO A 24 -53.155 7.996 -2.503 1.00 23.44 O ATOM 334 CB PRO A 24 -50.581 6.106 -3.455 1.00 4.11 C ATOM 335 CG PRO A 24 -50.876 6.552 -4.845 1.00 61.03 C ATOM 336 CD PRO A 24 -52.169 5.885 -5.228 1.00 45.53 C ATOM 0 HA PRO A 24 -51.994 5.138 -2.061 1.00 55.11 H new ATOM 0 HB2 PRO A 24 -49.975 6.840 -2.924 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -50.023 5.169 -3.450 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -50.967 7.637 -4.896 1.00 61.03 H new ATOM 0 HG3 PRO A 24 -50.073 6.267 -5.525 1.00 61.03 H new ATOM 0 HD2 PRO A 24 -52.760 6.510 -5.897 1.00 45.53 H new ATOM 0 HD3 PRO A 24 -51.996 4.940 -5.743 1.00 45.53 H new ATOM 344 N GLU A 25 -51.740 7.385 -0.863 1.00 30.43 N ATOM 345 CA GLU A 25 -52.021 8.554 -0.037 1.00 61.13 C ATOM 346 C GLU A 25 -50.742 9.084 0.607 1.00 2.52 C ATOM 347 O GLU A 25 -50.502 10.290 0.632 1.00 75.32 O ATOM 348 CB GLU A 25 -53.045 8.207 1.045 1.00 32.13 C ATOM 349 CG GLU A 25 -54.482 8.458 0.624 1.00 54.54 C ATOM 350 CD GLU A 25 -54.835 9.932 0.596 1.00 55.02 C ATOM 351 OE1 GLU A 25 -53.976 10.755 0.972 1.00 54.21 O ATOM 352 OE2 GLU A 25 -55.971 10.263 0.195 1.00 12.11 O1- ATOM 0 H GLU A 25 -51.060 6.739 -0.463 1.00 30.43 H new ATOM 0 HA GLU A 25 -52.433 9.332 -0.680 1.00 61.13 H new ATOM 0 HB2 GLU A 25 -52.933 7.157 1.317 1.00 32.13 H new ATOM 0 HB3 GLU A 25 -52.829 8.792 1.939 1.00 32.13 H new ATOM 0 HG2 GLU A 25 -54.646 8.031 -0.365 1.00 54.54 H new ATOM 0 HG3 GLU A 25 -55.153 7.941 1.310 1.00 54.54 H new ATOM 359 N GLU A 26 -49.928 8.171 1.128 1.00 43.40 N ATOM 360 CA GLU A 26 -48.674 8.547 1.773 1.00 42.11 C ATOM 361 C GLU A 26 -47.775 7.329 1.963 1.00 25.51 C ATOM 362 O GLU A 26 -48.248 6.194 2.002 1.00 40.12 O ATOM 363 CB GLU A 26 -48.951 9.207 3.126 1.00 74.23 C ATOM 364 CG GLU A 26 -49.447 8.238 4.186 1.00 70.14 C ATOM 365 CD GLU A 26 -50.352 8.903 5.205 1.00 31.34 C ATOM 366 OE1 GLU A 26 -51.277 9.634 4.792 1.00 24.24 O ATOM 367 OE2 GLU A 26 -50.136 8.690 6.418 1.00 61.41 O1- ATOM 0 H GLU A 26 -50.113 7.168 1.116 1.00 43.40 H new ATOM 0 HA GLU A 26 -48.160 9.259 1.127 1.00 42.11 H new ATOM 0 HB2 GLU A 26 -48.038 9.685 3.481 1.00 74.23 H new ATOM 0 HB3 GLU A 26 -49.692 9.995 2.991 1.00 74.23 H new ATOM 0 HG2 GLU A 26 -49.986 7.422 3.704 1.00 70.14 H new ATOM 0 HG3 GLU A 26 -48.592 7.796 4.698 1.00 70.14 H new ATOM 374 N ILE A 27 -46.474 7.575 2.081 1.00 34.23 N ATOM 375 CA ILE A 27 -45.508 6.501 2.268 1.00 51.54 C ATOM 376 C ILE A 27 -45.430 6.079 3.731 1.00 3.43 C ATOM 377 O ILE A 27 -45.576 6.902 4.635 1.00 75.14 O ATOM 378 CB ILE A 27 -44.104 6.916 1.790 1.00 31.11 C ATOM 379 CG1 ILE A 27 -43.202 5.687 1.657 1.00 64.55 C ATOM 380 CG2 ILE A 27 -43.494 7.926 2.751 1.00 22.12 C ATOM 381 CD1 ILE A 27 -41.786 6.019 1.240 1.00 33.44 C ATOM 0 H ILE A 27 -46.066 8.509 2.050 1.00 34.23 H new ATOM 0 HA ILE A 27 -45.853 5.659 1.668 1.00 51.54 H new ATOM 0 HB ILE A 27 -44.194 7.385 0.810 1.00 31.11 H new ATOM 0 HG12 ILE A 27 -43.177 5.160 2.611 1.00 64.55 H new ATOM 0 HG13 ILE A 27 -43.637 5.005 0.927 1.00 64.55 H new ATOM 0 HG21 ILE A 27 -42.502 8.209 2.400 1.00 22.12 H new ATOM 0 HG22 ILE A 27 -44.128 8.811 2.800 1.00 22.12 H new ATOM 0 HG23 ILE A 27 -43.414 7.482 3.743 1.00 22.12 H new ATOM 0 HD11 ILE A 27 -41.204 5.101 1.166 1.00 33.44 H new ATOM 0 HD12 ILE A 27 -41.800 6.519 0.272 1.00 33.44 H new ATOM 0 HD13 ILE A 27 -41.333 6.677 1.982 1.00 33.44 H new ATOM 393 N THR A 28 -45.196 4.790 3.958 1.00 23.51 N ATOM 394 CA THR A 28 -45.098 4.259 5.312 1.00 45.35 C ATOM 395 C THR A 28 -44.129 3.083 5.371 1.00 32.33 C ATOM 396 O THR A 28 -43.562 2.681 4.356 1.00 33.43 O ATOM 397 CB THR A 28 -46.472 3.803 5.838 1.00 53.03 C ATOM 398 OG1 THR A 28 -46.396 3.537 7.243 1.00 4.11 O ATOM 399 CG2 THR A 28 -46.946 2.555 5.106 1.00 21.31 C ATOM 0 H THR A 28 -45.071 4.095 3.222 1.00 23.51 H new ATOM 0 HA THR A 28 -44.726 5.067 5.942 1.00 45.35 H new ATOM 0 HB THR A 28 -47.188 4.605 5.658 1.00 53.03 H new ATOM 0 HG1 THR A 28 -47.274 3.249 7.569 1.00 4.11 H new ATOM 0 HG21 THR A 28 -47.918 2.252 5.495 1.00 21.31 H new ATOM 0 HG22 THR A 28 -47.032 2.769 4.041 1.00 21.31 H new ATOM 0 HG23 THR A 28 -46.228 1.749 5.258 1.00 21.31 H new ATOM 407 N ARG A 29 -43.943 2.536 6.568 1.00 14.42 N ATOM 408 CA ARG A 29 -43.042 1.406 6.760 1.00 74.04 C ATOM 409 C ARG A 29 -43.793 0.198 7.312 1.00 61.04 C ATOM 410 O ARG A 29 -44.381 0.261 8.393 1.00 23.41 O ATOM 411 CB ARG A 29 -41.903 1.790 7.707 1.00 13.44 C ATOM 412 CG ARG A 29 -42.368 2.544 8.944 1.00 21.03 C ATOM 413 CD ARG A 29 -41.549 2.165 10.167 1.00 15.43 C ATOM 414 NE ARG A 29 -41.622 3.183 11.211 1.00 11.32 N ATOM 415 CZ ARG A 29 -41.201 2.991 12.457 1.00 74.13 C ATOM 416 NH1 ARG A 29 -40.678 1.826 12.810 1.00 53.55 N1+ ATOM 417 NH2 ARG A 29 -41.301 3.967 13.350 1.00 74.03 N ATOM 0 H ARG A 29 -44.404 2.857 7.419 1.00 14.42 H new ATOM 0 HA ARG A 29 -42.624 1.138 5.790 1.00 74.04 H new ATOM 0 HB2 ARG A 29 -41.380 0.886 8.018 1.00 13.44 H new ATOM 0 HB3 ARG A 29 -41.183 2.405 7.166 1.00 13.44 H new ATOM 0 HG2 ARG A 29 -42.288 3.617 8.769 1.00 21.03 H new ATOM 0 HG3 ARG A 29 -43.421 2.329 9.128 1.00 21.03 H new ATOM 0 HD2 ARG A 29 -41.906 1.214 10.562 1.00 15.43 H new ATOM 0 HD3 ARG A 29 -40.509 2.018 9.876 1.00 15.43 H new ATOM 0 HE ARG A 29 -42.018 4.092 10.971 1.00 11.32 H new ATOM 0 HH11 ARG A 29 -40.598 1.074 12.125 1.00 53.55 H new ATOM 0 HH12 ARG A 29 -40.355 1.681 13.767 1.00 53.55 H new ATOM 0 HH21 ARG A 29 -41.701 4.866 13.081 1.00 74.03 H new ATOM 0 HH22 ARG A 29 -40.978 3.819 14.306 1.00 74.03 H new ATOM 431 N ASP A 30 -43.768 -0.899 6.565 1.00 64.35 N ATOM 432 CA ASP A 30 -44.446 -2.122 6.981 1.00 0.23 C ATOM 433 C ASP A 30 -43.708 -3.354 6.466 1.00 34.02 C ATOM 434 O ASP A 30 -43.976 -3.836 5.365 1.00 14.01 O ATOM 435 CB ASP A 30 -45.888 -2.128 6.473 1.00 31.35 C ATOM 436 CG ASP A 30 -46.597 -3.439 6.755 1.00 31.41 C ATOM 437 OD1 ASP A 30 -47.068 -3.624 7.896 1.00 64.23 O ATOM 438 OD2 ASP A 30 -46.678 -4.279 5.834 1.00 50.33 O1- ATOM 0 H ASP A 30 -43.286 -0.968 5.669 1.00 64.35 H new ATOM 0 HA ASP A 30 -44.452 -2.153 8.071 1.00 0.23 H new ATOM 0 HB2 ASP A 30 -46.439 -1.313 6.942 1.00 31.35 H new ATOM 0 HB3 ASP A 30 -45.893 -1.940 5.399 1.00 31.35 H new ATOM 443 N ILE A 31 -42.777 -3.858 7.269 1.00 63.23 N ATOM 444 CA ILE A 31 -42.000 -5.033 6.896 1.00 25.31 C ATOM 445 C ILE A 31 -42.360 -6.231 7.769 1.00 64.24 C ATOM 446 O ILE A 31 -41.674 -6.548 8.742 1.00 20.01 O ATOM 447 CB ILE A 31 -40.487 -4.767 7.005 1.00 73.13 C ATOM 448 CG1 ILE A 31 -40.162 -3.346 6.541 1.00 24.14 C ATOM 449 CG2 ILE A 31 -39.709 -5.788 6.189 1.00 43.12 C ATOM 450 CD1 ILE A 31 -40.613 -3.055 5.126 1.00 71.21 C ATOM 0 H ILE A 31 -42.543 -3.470 8.183 1.00 63.23 H new ATOM 0 HA ILE A 31 -42.246 -5.257 5.858 1.00 25.31 H new ATOM 0 HB ILE A 31 -40.191 -4.864 8.049 1.00 73.13 H new ATOM 0 HG12 ILE A 31 -40.634 -2.634 7.218 1.00 24.14 H new ATOM 0 HG13 ILE A 31 -39.086 -3.187 6.611 1.00 24.14 H new ATOM 0 HG21 ILE A 31 -38.641 -5.586 6.276 1.00 43.12 H new ATOM 0 HG22 ILE A 31 -39.921 -6.790 6.562 1.00 43.12 H new ATOM 0 HG23 ILE A 31 -40.007 -5.720 5.143 1.00 43.12 H new ATOM 0 HD11 ILE A 31 -40.350 -2.030 4.864 1.00 71.21 H new ATOM 0 HD12 ILE A 31 -40.121 -3.743 4.439 1.00 71.21 H new ATOM 0 HD13 ILE A 31 -41.693 -3.182 5.055 1.00 71.21 H new ATOM 462 N PRO A 32 -43.459 -6.913 7.416 1.00 34.15 N ATOM 463 CA PRO A 32 -43.933 -8.087 8.154 1.00 63.53 C ATOM 464 C PRO A 32 -43.011 -9.290 7.982 1.00 74.13 C ATOM 465 O PRO A 32 -42.192 -9.330 7.065 1.00 52.54 O ATOM 466 CB PRO A 32 -45.302 -8.368 7.530 1.00 61.33 C ATOM 467 CG PRO A 32 -45.220 -7.792 6.160 1.00 72.25 C ATOM 468 CD PRO A 32 -44.323 -6.590 6.269 1.00 11.40 C ATOM 0 HA PRO A 32 -43.968 -7.907 9.229 1.00 63.53 H new ATOM 0 HB2 PRO A 32 -45.510 -9.437 7.498 1.00 61.33 H new ATOM 0 HB3 PRO A 32 -46.102 -7.905 8.107 1.00 61.33 H new ATOM 0 HG2 PRO A 32 -44.815 -8.518 5.455 1.00 72.25 H new ATOM 0 HG3 PRO A 32 -46.208 -7.510 5.795 1.00 72.25 H new ATOM 0 HD2 PRO A 32 -43.743 -6.438 5.359 1.00 11.40 H new ATOM 0 HD3 PRO A 32 -44.893 -5.677 6.440 1.00 11.40 H new ATOM 476 N ASN A 33 -43.153 -10.269 8.869 1.00 71.22 N ATOM 477 CA ASN A 33 -42.333 -11.474 8.815 1.00 2.45 C ATOM 478 C ASN A 33 -40.860 -11.141 9.032 1.00 2.05 C ATOM 479 O ASN A 33 -39.977 -11.925 8.687 1.00 32.14 O ATOM 480 CB ASN A 33 -42.514 -12.179 7.469 1.00 52.30 C ATOM 481 CG ASN A 33 -43.968 -12.241 7.039 1.00 14.10 C ATOM 482 OD1 ASN A 33 -44.848 -12.570 7.834 1.00 31.13 O ATOM 483 ND2 ASN A 33 -44.225 -11.923 5.776 1.00 31.33 N ATOM 0 H ASN A 33 -43.828 -10.252 9.634 1.00 71.22 H new ATOM 0 HA ASN A 33 -42.658 -12.140 9.614 1.00 2.45 H new ATOM 0 HB2 ASN A 33 -41.935 -11.657 6.708 1.00 52.30 H new ATOM 0 HB3 ASN A 33 -42.114 -13.191 7.535 1.00 52.30 H new ATOM 0 HD21 ASN A 33 -45.184 -11.946 5.429 1.00 31.33 H new ATOM 0 HD22 ASN A 33 -43.463 -11.656 5.152 1.00 31.33 H new ATOM 490 N VAL A 34 -40.603 -9.970 9.608 1.00 34.42 N ATOM 491 CA VAL A 34 -39.238 -9.532 9.874 1.00 3.55 C ATOM 492 C VAL A 34 -39.040 -9.216 11.352 1.00 63.25 C ATOM 493 O VAL A 34 -39.908 -8.623 11.992 1.00 72.34 O ATOM 494 CB VAL A 34 -38.876 -8.289 9.041 1.00 61.54 C ATOM 495 CG1 VAL A 34 -37.471 -7.811 9.377 1.00 74.44 C ATOM 496 CG2 VAL A 34 -39.005 -8.587 7.554 1.00 63.24 C ATOM 0 H VAL A 34 -41.322 -9.308 9.899 1.00 34.42 H new ATOM 0 HA VAL A 34 -38.581 -10.354 9.591 1.00 3.55 H new ATOM 0 HB VAL A 34 -39.575 -7.491 9.290 1.00 61.54 H new ATOM 0 HG11 VAL A 34 -37.233 -6.932 8.778 1.00 74.44 H new ATOM 0 HG12 VAL A 34 -37.417 -7.555 10.435 1.00 74.44 H new ATOM 0 HG13 VAL A 34 -36.755 -8.603 9.158 1.00 74.44 H new ATOM 0 HG21 VAL A 34 -38.745 -7.697 6.981 1.00 63.24 H new ATOM 0 HG22 VAL A 34 -38.331 -9.401 7.286 1.00 63.24 H new ATOM 0 HG23 VAL A 34 -40.031 -8.877 7.329 1.00 63.24 H new ATOM 506 N GLY A 35 -37.892 -9.615 11.889 1.00 71.54 N ATOM 507 CA GLY A 35 -37.600 -9.365 13.289 1.00 61.21 C ATOM 508 C GLY A 35 -37.392 -7.893 13.583 1.00 63.23 C ATOM 509 O GLY A 35 -37.020 -7.123 12.697 1.00 50.52 O ATOM 0 H GLY A 35 -37.158 -10.107 11.380 1.00 71.54 H new ATOM 0 HA2 GLY A 35 -38.419 -9.742 13.901 1.00 61.21 H new ATOM 0 HA3 GLY A 35 -36.706 -9.920 13.575 1.00 61.21 H new ATOM 513 N GLU A 36 -37.633 -7.500 14.830 1.00 25.34 N ATOM 514 CA GLU A 36 -37.472 -6.109 15.237 1.00 23.30 C ATOM 515 C GLU A 36 -36.002 -5.699 15.202 1.00 75.14 C ATOM 516 O GLU A 36 -35.679 -4.529 15.000 1.00 34.31 O ATOM 517 CB GLU A 36 -38.039 -5.898 16.642 1.00 11.14 C ATOM 518 CG GLU A 36 -37.191 -6.517 17.741 1.00 41.24 C ATOM 519 CD GLU A 36 -37.897 -6.535 19.082 1.00 1.32 C ATOM 520 OE1 GLU A 36 -38.820 -7.359 19.256 1.00 11.12 O ATOM 521 OE2 GLU A 36 -37.528 -5.725 19.958 1.00 24.50 O1- ATOM 0 H GLU A 36 -37.940 -8.125 15.575 1.00 25.34 H new ATOM 0 HA GLU A 36 -38.022 -5.484 14.533 1.00 23.30 H new ATOM 0 HB2 GLU A 36 -38.136 -4.828 16.829 1.00 11.14 H new ATOM 0 HB3 GLU A 36 -39.042 -6.322 16.687 1.00 11.14 H new ATOM 0 HG2 GLU A 36 -36.927 -7.536 17.460 1.00 41.24 H new ATOM 0 HG3 GLU A 36 -36.259 -5.960 17.833 1.00 41.24 H new ATOM 528 N ASP A 37 -35.119 -6.671 15.400 1.00 22.02 N ATOM 529 CA ASP A 37 -33.683 -6.413 15.391 1.00 32.15 C ATOM 530 C ASP A 37 -33.229 -5.919 14.021 1.00 14.55 C ATOM 531 O ASP A 37 -32.317 -5.099 13.917 1.00 61.42 O ATOM 532 CB ASP A 37 -32.913 -7.677 15.773 1.00 75.52 C ATOM 533 CG ASP A 37 -32.936 -7.941 17.266 1.00 61.23 C ATOM 534 OD1 ASP A 37 -34.003 -8.334 17.782 1.00 2.44 O ATOM 535 OD2 ASP A 37 -31.888 -7.753 17.918 1.00 44.23 O1- ATOM 0 H ASP A 37 -35.372 -7.645 15.569 1.00 22.02 H new ATOM 0 HA ASP A 37 -33.474 -5.635 16.125 1.00 32.15 H new ATOM 0 HB2 ASP A 37 -33.341 -8.532 15.249 1.00 75.52 H new ATOM 0 HB3 ASP A 37 -31.879 -7.584 15.439 1.00 75.52 H new ATOM 540 N ALA A 38 -33.871 -6.425 12.972 1.00 41.12 N ATOM 541 CA ALA A 38 -33.532 -6.035 11.609 1.00 33.22 C ATOM 542 C ALA A 38 -33.689 -4.531 11.414 1.00 61.11 C ATOM 543 O ALA A 38 -33.052 -3.939 10.541 1.00 73.30 O ATOM 544 CB ALA A 38 -34.400 -6.792 10.614 1.00 54.45 C ATOM 0 H ALA A 38 -34.628 -7.105 13.041 1.00 41.12 H new ATOM 0 HA ALA A 38 -32.487 -6.290 11.432 1.00 33.22 H new ATOM 0 HB1 ALA A 38 -34.137 -6.492 9.600 1.00 54.45 H new ATOM 0 HB2 ALA A 38 -34.236 -7.863 10.729 1.00 54.45 H new ATOM 0 HB3 ALA A 38 -35.450 -6.564 10.799 1.00 54.45 H new ATOM 550 N LEU A 39 -34.539 -3.918 12.230 1.00 44.35 N ATOM 551 CA LEU A 39 -34.779 -2.482 12.146 1.00 51.12 C ATOM 552 C LEU A 39 -34.316 -1.778 13.417 1.00 25.44 C ATOM 553 O LEU A 39 -34.672 -0.625 13.665 1.00 75.32 O ATOM 554 CB LEU A 39 -36.265 -2.206 11.909 1.00 75.42 C ATOM 555 CG LEU A 39 -37.235 -2.873 12.885 1.00 63.45 C ATOM 556 CD1 LEU A 39 -37.351 -2.058 14.163 1.00 3.12 C ATOM 557 CD2 LEU A 39 -38.602 -3.052 12.240 1.00 33.13 C ATOM 0 H LEU A 39 -35.074 -4.393 12.957 1.00 44.35 H new ATOM 0 HA LEU A 39 -34.205 -2.091 11.306 1.00 51.12 H new ATOM 0 HB2 LEU A 39 -36.425 -1.128 11.948 1.00 75.42 H new ATOM 0 HB3 LEU A 39 -36.518 -2.529 10.899 1.00 75.42 H new ATOM 0 HG LEU A 39 -36.843 -3.858 13.140 1.00 63.45 H new ATOM 0 HD11 LEU A 39 -38.045 -2.548 14.845 1.00 3.12 H new ATOM 0 HD12 LEU A 39 -36.372 -1.981 14.635 1.00 3.12 H new ATOM 0 HD13 LEU A 39 -37.719 -1.060 13.926 1.00 3.12 H new ATOM 0 HD21 LEU A 39 -39.279 -3.528 12.949 1.00 33.13 H new ATOM 0 HD22 LEU A 39 -39.000 -2.078 11.956 1.00 33.13 H new ATOM 0 HD23 LEU A 39 -38.507 -3.678 11.353 1.00 33.13 H new ATOM 569 N ARG A 40 -33.519 -2.476 14.218 1.00 20.52 N ATOM 570 CA ARG A 40 -33.005 -1.917 15.463 1.00 43.52 C ATOM 571 C ARG A 40 -32.322 -0.575 15.216 1.00 33.33 C ATOM 572 O ARG A 40 -32.393 0.330 16.045 1.00 61.33 O ATOM 573 CB ARG A 40 -32.022 -2.889 16.116 1.00 31.43 C ATOM 574 CG ARG A 40 -30.733 -3.072 15.330 1.00 41.24 C ATOM 575 CD ARG A 40 -29.941 -4.270 15.829 1.00 43.45 C ATOM 576 NE ARG A 40 -28.549 -4.227 15.391 1.00 63.04 N ATOM 577 CZ ARG A 40 -28.158 -4.521 14.155 1.00 32.22 C ATOM 578 NH1 ARG A 40 -29.051 -4.877 13.241 1.00 22.50 N1+ ATOM 579 NH2 ARG A 40 -26.873 -4.459 13.831 1.00 20.05 N ATOM 0 H ARG A 40 -33.215 -3.431 14.027 1.00 20.52 H new ATOM 0 HA ARG A 40 -33.848 -1.758 16.135 1.00 43.52 H new ATOM 0 HB2 ARG A 40 -31.780 -2.530 17.116 1.00 31.43 H new ATOM 0 HB3 ARG A 40 -32.507 -3.858 16.234 1.00 31.43 H new ATOM 0 HG2 ARG A 40 -30.966 -3.203 14.273 1.00 41.24 H new ATOM 0 HG3 ARG A 40 -30.124 -2.172 15.413 1.00 41.24 H new ATOM 0 HD2 ARG A 40 -29.977 -4.300 16.918 1.00 43.45 H new ATOM 0 HD3 ARG A 40 -30.406 -5.188 15.469 1.00 43.45 H new ATOM 0 HE ARG A 40 -27.838 -3.957 16.070 1.00 63.04 H new ATOM 0 HH11 ARG A 40 -30.040 -4.926 13.486 1.00 22.50 H new ATOM 0 HH12 ARG A 40 -28.749 -5.102 12.293 1.00 22.50 H new ATOM 0 HH21 ARG A 40 -26.183 -4.185 14.531 1.00 20.05 H new ATOM 0 HH22 ARG A 40 -26.575 -4.685 12.882 1.00 20.05 H new ATOM 593 N ASN A 41 -31.663 -0.455 14.068 1.00 55.32 N ATOM 594 CA ASN A 41 -30.966 0.776 13.713 1.00 71.13 C ATOM 595 C ASN A 41 -31.939 1.808 13.151 1.00 35.30 C ATOM 596 O ASN A 41 -31.685 3.012 13.206 1.00 31.23 O ATOM 597 CB ASN A 41 -29.866 0.486 12.690 1.00 34.41 C ATOM 598 CG ASN A 41 -28.895 -0.577 13.169 1.00 10.32 C ATOM 599 OD1 ASN A 41 -28.966 -1.732 12.750 1.00 32.53 O ATOM 600 ND2 ASN A 41 -27.984 -0.189 14.053 1.00 61.32 N ATOM 0 H ASN A 41 -31.597 -1.194 13.368 1.00 55.32 H new ATOM 0 HA ASN A 41 -30.514 1.183 14.617 1.00 71.13 H new ATOM 0 HB2 ASN A 41 -30.321 0.163 11.754 1.00 34.41 H new ATOM 0 HB3 ASN A 41 -29.319 1.405 12.479 1.00 34.41 H new ATOM 0 HD21 ASN A 41 -27.305 -0.859 14.413 1.00 61.32 H new ATOM 0 HD22 ASN A 41 -27.963 0.780 14.372 1.00 61.32 H new ATOM 607 N LEU A 42 -33.053 1.330 12.611 1.00 5.31 N ATOM 608 CA LEU A 42 -34.067 2.211 12.038 1.00 1.45 C ATOM 609 C LEU A 42 -34.470 3.294 13.034 1.00 41.30 C ATOM 610 O LEU A 42 -34.374 3.104 14.246 1.00 64.12 O ATOM 611 CB LEU A 42 -35.296 1.402 11.621 1.00 35.41 C ATOM 612 CG LEU A 42 -36.051 1.915 10.393 1.00 32.44 C ATOM 613 CD1 LEU A 42 -35.421 1.377 9.117 1.00 21.05 C ATOM 614 CD2 LEU A 42 -37.520 1.529 10.471 1.00 43.22 C ATOM 0 H LEU A 42 -33.279 0.337 12.557 1.00 5.31 H new ATOM 0 HA LEU A 42 -33.641 2.692 11.158 1.00 1.45 H new ATOM 0 HB2 LEU A 42 -34.983 0.376 11.428 1.00 35.41 H new ATOM 0 HB3 LEU A 42 -35.989 1.371 12.462 1.00 35.41 H new ATOM 0 HG LEU A 42 -35.984 3.003 10.376 1.00 32.44 H new ATOM 0 HD11 LEU A 42 -35.971 1.752 8.254 1.00 21.05 H new ATOM 0 HD12 LEU A 42 -34.383 1.705 9.057 1.00 21.05 H new ATOM 0 HD13 LEU A 42 -35.457 0.288 9.125 1.00 21.05 H new ATOM 0 HD21 LEU A 42 -38.042 1.902 9.590 1.00 43.22 H new ATOM 0 HD22 LEU A 42 -37.609 0.443 10.513 1.00 43.22 H new ATOM 0 HD23 LEU A 42 -37.964 1.964 11.366 1.00 43.22 H new ATOM 626 N ASP A 43 -34.923 4.428 12.513 1.00 10.14 N ATOM 627 CA ASP A 43 -35.346 5.542 13.356 1.00 31.33 C ATOM 628 C ASP A 43 -36.841 5.801 13.205 1.00 31.33 C ATOM 629 O ASP A 43 -37.540 5.069 12.504 1.00 2.34 O ATOM 630 CB ASP A 43 -34.558 6.804 13.001 1.00 44.20 C ATOM 631 CG ASP A 43 -33.122 6.746 13.485 1.00 54.04 C ATOM 632 OD1 ASP A 43 -32.665 5.644 13.852 1.00 1.31 O ATOM 633 OD2 ASP A 43 -32.456 7.802 13.496 1.00 30.34 O1- ATOM 0 H ASP A 43 -35.007 4.601 11.511 1.00 10.14 H new ATOM 0 HA ASP A 43 -35.145 5.277 14.394 1.00 31.33 H new ATOM 0 HB2 ASP A 43 -34.569 6.943 11.920 1.00 44.20 H new ATOM 0 HB3 ASP A 43 -35.051 7.672 13.439 1.00 44.20 H new ATOM 638 N ASP A 44 -37.324 6.846 13.866 1.00 73.33 N ATOM 639 CA ASP A 44 -38.737 7.203 13.806 1.00 11.43 C ATOM 640 C ASP A 44 -39.153 7.539 12.377 1.00 44.41 C ATOM 641 O ASP A 44 -40.337 7.508 12.041 1.00 0.12 O ATOM 642 CB ASP A 44 -39.026 8.390 14.726 1.00 63.23 C ATOM 643 CG ASP A 44 -39.037 7.998 16.190 1.00 31.34 C ATOM 644 OD1 ASP A 44 -38.380 6.996 16.542 1.00 40.13 O ATOM 645 OD2 ASP A 44 -39.705 8.692 16.986 1.00 13.32 O1- ATOM 0 H ASP A 44 -36.758 7.462 14.450 1.00 73.33 H new ATOM 0 HA ASP A 44 -39.317 6.343 14.142 1.00 11.43 H new ATOM 0 HB2 ASP A 44 -38.274 9.162 14.565 1.00 63.23 H new ATOM 0 HB3 ASP A 44 -39.990 8.824 14.462 1.00 63.23 H new ATOM 650 N ARG A 45 -38.170 7.859 11.541 1.00 71.11 N ATOM 651 CA ARG A 45 -38.435 8.203 10.149 1.00 52.13 C ATOM 652 C ARG A 45 -38.715 6.950 9.324 1.00 35.45 C ATOM 653 O ARG A 45 -39.181 7.035 8.188 1.00 3.22 O ATOM 654 CB ARG A 45 -37.247 8.962 9.555 1.00 65.04 C ATOM 655 CG ARG A 45 -35.942 8.185 9.601 1.00 43.34 C ATOM 656 CD ARG A 45 -34.774 9.027 9.111 1.00 43.42 C ATOM 657 NE ARG A 45 -34.732 10.335 9.759 1.00 64.23 N ATOM 658 CZ ARG A 45 -34.240 10.536 10.976 1.00 23.12 C ATOM 659 NH1 ARG A 45 -33.750 9.520 11.674 1.00 63.01 N1+ ATOM 660 NH2 ARG A 45 -34.237 11.756 11.499 1.00 3.01 N ATOM 0 H ARG A 45 -37.185 7.887 11.803 1.00 71.11 H new ATOM 0 HA ARG A 45 -39.318 8.842 10.120 1.00 52.13 H new ATOM 0 HB2 ARG A 45 -37.471 9.217 8.519 1.00 65.04 H new ATOM 0 HB3 ARG A 45 -37.120 9.901 10.095 1.00 65.04 H new ATOM 0 HG2 ARG A 45 -35.750 7.854 10.622 1.00 43.34 H new ATOM 0 HG3 ARG A 45 -36.029 7.289 8.986 1.00 43.34 H new ATOM 0 HD2 ARG A 45 -33.840 8.498 9.302 1.00 43.42 H new ATOM 0 HD3 ARG A 45 -34.850 9.159 8.032 1.00 43.42 H new ATOM 0 HE ARG A 45 -35.101 11.138 9.249 1.00 64.23 H new ATOM 0 HH11 ARG A 45 -33.750 8.581 11.276 1.00 63.01 H new ATOM 0 HH12 ARG A 45 -33.373 9.678 12.608 1.00 63.01 H new ATOM 0 HH21 ARG A 45 -34.613 12.540 10.966 1.00 3.01 H new ATOM 0 HH22 ARG A 45 -33.859 11.909 12.434 1.00 3.01 H new ATOM 674 N GLY A 46 -38.428 5.789 9.903 1.00 63.25 N ATOM 675 CA GLY A 46 -38.655 4.536 9.207 1.00 13.20 C ATOM 676 C GLY A 46 -37.488 4.145 8.323 1.00 41.41 C ATOM 677 O GLY A 46 -37.629 3.307 7.431 1.00 11.40 O ATOM 0 H GLY A 46 -38.042 5.693 10.842 1.00 63.25 H new ATOM 0 HA2 GLY A 46 -38.835 3.746 9.936 1.00 13.20 H new ATOM 0 HA3 GLY A 46 -39.556 4.620 8.599 1.00 13.20 H new ATOM 681 N VAL A 47 -36.332 4.752 8.567 1.00 30.53 N ATOM 682 CA VAL A 47 -35.135 4.463 7.785 1.00 42.32 C ATOM 683 C VAL A 47 -33.910 4.338 8.684 1.00 35.22 C ATOM 684 O VAL A 47 -33.826 4.982 9.729 1.00 74.45 O ATOM 685 CB VAL A 47 -34.876 5.555 6.731 1.00 33.24 C ATOM 686 CG1 VAL A 47 -33.713 5.164 5.831 1.00 62.32 C ATOM 687 CG2 VAL A 47 -36.132 5.813 5.912 1.00 11.24 C ATOM 0 H VAL A 47 -36.198 5.448 9.301 1.00 30.53 H new ATOM 0 HA VAL A 47 -35.309 3.514 7.278 1.00 42.32 H new ATOM 0 HB VAL A 47 -34.610 6.478 7.247 1.00 33.24 H new ATOM 0 HG11 VAL A 47 -33.545 5.948 5.092 1.00 62.32 H new ATOM 0 HG12 VAL A 47 -32.814 5.034 6.434 1.00 62.32 H new ATOM 0 HG13 VAL A 47 -33.946 4.229 5.321 1.00 62.32 H new ATOM 0 HG21 VAL A 47 -35.931 6.588 5.172 1.00 11.24 H new ATOM 0 HG22 VAL A 47 -36.431 4.895 5.405 1.00 11.24 H new ATOM 0 HG23 VAL A 47 -36.935 6.141 6.572 1.00 11.24 H new ATOM 697 N ILE A 48 -32.961 3.505 8.267 1.00 4.11 N ATOM 698 CA ILE A 48 -31.739 3.297 9.034 1.00 23.31 C ATOM 699 C ILE A 48 -30.874 4.553 9.041 1.00 42.35 C ATOM 700 O ILE A 48 -30.714 5.215 8.015 1.00 21.41 O ATOM 701 CB ILE A 48 -30.915 2.124 8.471 1.00 74.51 C ATOM 702 CG1 ILE A 48 -31.743 0.837 8.488 1.00 2.21 C ATOM 703 CG2 ILE A 48 -29.633 1.946 9.270 1.00 61.43 C ATOM 704 CD1 ILE A 48 -32.097 0.364 9.882 1.00 11.41 C ATOM 0 H ILE A 48 -33.015 2.964 7.404 1.00 4.11 H new ATOM 0 HA ILE A 48 -32.042 3.062 10.054 1.00 23.31 H new ATOM 0 HB ILE A 48 -30.648 2.349 7.438 1.00 74.51 H new ATOM 0 HG12 ILE A 48 -32.661 0.998 7.924 1.00 2.21 H new ATOM 0 HG13 ILE A 48 -31.188 0.051 7.976 1.00 2.21 H new ATOM 0 HG21 ILE A 48 -29.061 1.113 8.860 1.00 61.43 H new ATOM 0 HG22 ILE A 48 -29.038 2.858 9.212 1.00 61.43 H new ATOM 0 HG23 ILE A 48 -29.879 1.739 10.312 1.00 61.43 H new ATOM 0 HD11 ILE A 48 -32.684 -0.552 9.817 1.00 11.41 H new ATOM 0 HD12 ILE A 48 -31.183 0.171 10.444 1.00 11.41 H new ATOM 0 HD13 ILE A 48 -32.679 1.133 10.390 1.00 11.41 H new ATOM 716 N ARG A 49 -30.317 4.875 10.204 1.00 61.21 N ATOM 717 CA ARG A 49 -29.467 6.051 10.344 1.00 55.21 C ATOM 718 C ARG A 49 -28.050 5.758 9.865 1.00 4.43 C ATOM 719 O ARG A 49 -27.658 4.599 9.724 1.00 74.42 O ATOM 720 CB ARG A 49 -29.439 6.514 11.802 1.00 75.12 C ATOM 721 CG ARG A 49 -28.843 7.900 11.990 1.00 63.14 C ATOM 722 CD ARG A 49 -29.165 8.463 13.365 1.00 21.00 C ATOM 723 NE ARG A 49 -28.129 9.379 13.838 1.00 40.53 N ATOM 724 CZ ARG A 49 -28.259 10.142 14.916 1.00 35.01 C ATOM 725 NH1 ARG A 49 -29.376 10.100 15.631 1.00 2.42 N1+ ATOM 726 NH2 ARG A 49 -27.272 10.949 15.284 1.00 44.41 N ATOM 0 H ARG A 49 -30.439 4.338 11.063 1.00 61.21 H new ATOM 0 HA ARG A 49 -29.883 6.846 9.725 1.00 55.21 H new ATOM 0 HB2 ARG A 49 -30.455 6.508 12.196 1.00 75.12 H new ATOM 0 HB3 ARG A 49 -28.865 5.798 12.391 1.00 75.12 H new ATOM 0 HG2 ARG A 49 -27.762 7.853 11.859 1.00 63.14 H new ATOM 0 HG3 ARG A 49 -29.229 8.570 11.222 1.00 63.14 H new ATOM 0 HD2 ARG A 49 -30.121 8.985 13.328 1.00 21.00 H new ATOM 0 HD3 ARG A 49 -29.276 7.644 14.075 1.00 21.00 H new ATOM 0 HE ARG A 49 -27.258 9.435 13.310 1.00 40.53 H new ATOM 0 HH11 ARG A 49 -30.137 9.480 15.352 1.00 2.42 H new ATOM 0 HH12 ARG A 49 -29.474 10.687 16.459 1.00 2.42 H new ATOM 0 HH21 ARG A 49 -26.411 10.984 14.738 1.00 44.41 H new ATOM 0 HH22 ARG A 49 -27.374 11.535 16.113 1.00 44.41 H new ATOM 740 N ILE A 50 -27.284 6.815 9.615 1.00 42.34 N ATOM 741 CA ILE A 50 -25.910 6.670 9.151 1.00 64.41 C ATOM 742 C ILE A 50 -25.026 6.061 10.234 1.00 25.51 C ATOM 743 O ILE A 50 -25.238 6.288 11.425 1.00 50.31 O ATOM 744 CB ILE A 50 -25.315 8.025 8.721 1.00 4.21 C ATOM 745 CG1 ILE A 50 -26.221 8.700 7.691 1.00 31.11 C ATOM 746 CG2 ILE A 50 -23.914 7.834 8.159 1.00 54.25 C ATOM 747 CD1 ILE A 50 -25.861 10.146 7.424 1.00 54.33 C ATOM 0 H ILE A 50 -27.592 7.781 9.726 1.00 42.34 H new ATOM 0 HA ILE A 50 -25.937 6.004 8.289 1.00 64.41 H new ATOM 0 HB ILE A 50 -25.249 8.671 9.597 1.00 4.21 H new ATOM 0 HG12 ILE A 50 -26.172 8.143 6.755 1.00 31.11 H new ATOM 0 HG13 ILE A 50 -27.253 8.649 8.038 1.00 31.11 H new ATOM 0 HG21 ILE A 50 -23.507 8.800 7.860 1.00 54.25 H new ATOM 0 HG22 ILE A 50 -23.273 7.391 8.922 1.00 54.25 H new ATOM 0 HG23 ILE A 50 -23.956 7.174 7.293 1.00 54.25 H new ATOM 0 HD11 ILE A 50 -26.545 10.561 6.684 1.00 54.33 H new ATOM 0 HD12 ILE A 50 -25.938 10.717 8.349 1.00 54.33 H new ATOM 0 HD13 ILE A 50 -24.840 10.203 7.047 1.00 54.33 H new ATOM 759 N GLY A 51 -24.032 5.284 9.812 1.00 2.14 N ATOM 760 CA GLY A 51 -23.130 4.656 10.758 1.00 43.44 C ATOM 761 C GLY A 51 -23.558 3.247 11.118 1.00 53.24 C ATOM 762 O GLY A 51 -22.979 2.624 12.008 1.00 63.33 O ATOM 0 H GLY A 51 -23.836 5.079 8.832 1.00 2.14 H new ATOM 0 HA2 GLY A 51 -22.125 4.631 10.336 1.00 43.44 H new ATOM 0 HA3 GLY A 51 -23.080 5.260 11.664 1.00 43.44 H new ATOM 766 N ALA A 52 -24.576 2.745 10.428 1.00 53.13 N ATOM 767 CA ALA A 52 -25.082 1.401 10.681 1.00 25.41 C ATOM 768 C ALA A 52 -24.631 0.431 9.593 1.00 3.24 C ATOM 769 O ALA A 52 -24.805 0.695 8.404 1.00 33.21 O ATOM 770 CB ALA A 52 -26.599 1.418 10.780 1.00 4.44 C ATOM 0 H ALA A 52 -25.067 3.248 9.689 1.00 53.13 H new ATOM 0 HA ALA A 52 -24.671 1.058 11.631 1.00 25.41 H new ATOM 0 HB1 ALA A 52 -26.963 0.408 10.969 1.00 4.44 H new ATOM 0 HB2 ALA A 52 -26.903 2.072 11.597 1.00 4.44 H new ATOM 0 HB3 ALA A 52 -27.021 1.786 9.845 1.00 4.44 H new ATOM 776 N GLU A 53 -24.051 -0.690 10.009 1.00 24.44 N ATOM 777 CA GLU A 53 -23.575 -1.697 9.069 1.00 12.23 C ATOM 778 C GLU A 53 -24.742 -2.356 8.340 1.00 61.23 C ATOM 779 O GLU A 53 -25.768 -2.672 8.944 1.00 62.55 O ATOM 780 CB GLU A 53 -22.751 -2.760 9.799 1.00 5.05 C ATOM 781 CG GLU A 53 -23.445 -3.335 11.022 1.00 63.31 C ATOM 782 CD GLU A 53 -23.277 -4.838 11.136 1.00 65.35 C ATOM 783 OE1 GLU A 53 -23.934 -5.567 10.365 1.00 22.21 O ATOM 784 OE2 GLU A 53 -22.488 -5.283 11.995 1.00 42.20 O1- ATOM 0 H GLU A 53 -23.900 -0.923 10.990 1.00 24.44 H new ATOM 0 HA GLU A 53 -22.943 -1.199 8.333 1.00 12.23 H new ATOM 0 HB2 GLU A 53 -22.524 -3.570 9.106 1.00 5.05 H new ATOM 0 HB3 GLU A 53 -21.799 -2.324 10.103 1.00 5.05 H new ATOM 0 HG2 GLU A 53 -23.046 -2.860 11.918 1.00 63.31 H new ATOM 0 HG3 GLU A 53 -24.507 -3.094 10.979 1.00 63.31 H new ATOM 791 N VAL A 54 -24.579 -2.560 7.036 1.00 22.21 N ATOM 792 CA VAL A 54 -25.618 -3.182 6.224 1.00 62.55 C ATOM 793 C VAL A 54 -25.430 -4.693 6.153 1.00 25.30 C ATOM 794 O VAL A 54 -24.307 -5.194 6.207 1.00 72.42 O ATOM 795 CB VAL A 54 -25.630 -2.610 4.793 1.00 34.21 C ATOM 796 CG1 VAL A 54 -24.490 -3.196 3.974 1.00 11.11 C ATOM 797 CG2 VAL A 54 -26.970 -2.876 4.124 1.00 22.21 C ATOM 0 H VAL A 54 -23.737 -2.303 6.520 1.00 22.21 H new ATOM 0 HA VAL A 54 -26.570 -2.959 6.705 1.00 62.55 H new ATOM 0 HB VAL A 54 -25.487 -1.531 4.851 1.00 34.21 H new ATOM 0 HG11 VAL A 54 -24.515 -2.780 2.967 1.00 11.11 H new ATOM 0 HG12 VAL A 54 -23.539 -2.949 4.445 1.00 11.11 H new ATOM 0 HG13 VAL A 54 -24.599 -4.279 3.922 1.00 11.11 H new ATOM 0 HG21 VAL A 54 -26.961 -2.465 3.114 1.00 22.21 H new ATOM 0 HG22 VAL A 54 -27.146 -3.951 4.077 1.00 22.21 H new ATOM 0 HG23 VAL A 54 -27.765 -2.403 4.701 1.00 22.21 H new ATOM 807 N LYS A 55 -26.539 -5.416 6.032 1.00 32.13 N ATOM 808 CA LYS A 55 -26.497 -6.872 5.953 1.00 11.44 C ATOM 809 C LYS A 55 -27.794 -7.421 5.367 1.00 24.20 C ATOM 810 O LYS A 55 -28.758 -6.682 5.165 1.00 53.12 O ATOM 811 CB LYS A 55 -26.256 -7.473 7.339 1.00 13.34 C ATOM 812 CG LYS A 55 -27.392 -7.222 8.316 1.00 34.42 C ATOM 813 CD LYS A 55 -26.978 -7.534 9.744 1.00 72.33 C ATOM 814 CE LYS A 55 -27.038 -9.028 10.028 1.00 54.12 C ATOM 815 NZ LYS A 55 -25.882 -9.752 9.431 1.00 75.44 N1+ ATOM 0 H LYS A 55 -27.477 -5.018 5.987 1.00 32.13 H new ATOM 0 HA LYS A 55 -25.674 -7.152 5.296 1.00 11.44 H new ATOM 0 HB2 LYS A 55 -26.105 -8.548 7.239 1.00 13.34 H new ATOM 0 HB3 LYS A 55 -25.336 -7.059 7.751 1.00 13.34 H new ATOM 0 HG2 LYS A 55 -27.709 -6.181 8.247 1.00 34.42 H new ATOM 0 HG3 LYS A 55 -28.250 -7.836 8.043 1.00 34.42 H new ATOM 0 HD2 LYS A 55 -25.966 -7.170 9.918 1.00 72.33 H new ATOM 0 HD3 LYS A 55 -27.631 -7.004 10.437 1.00 72.33 H new ATOM 0 HE2 LYS A 55 -27.053 -9.193 11.105 1.00 54.12 H new ATOM 0 HE3 LYS A 55 -27.967 -9.436 9.630 1.00 54.12 H new ATOM 0 HZ1 LYS A 55 -25.517 -10.446 10.114 1.00 75.44 H new ATOM 0 HZ2 LYS A 55 -26.189 -10.244 8.568 1.00 75.44 H new ATOM 0 HZ3 LYS A 55 -25.131 -9.072 9.194 1.00 75.44 H new ATOM 829 N ASP A 56 -27.813 -8.722 5.097 1.00 1.11 N ATOM 830 CA ASP A 56 -28.993 -9.370 4.538 1.00 50.12 C ATOM 831 C ASP A 56 -30.222 -9.099 5.400 1.00 51.21 C ATOM 832 O ASP A 56 -30.170 -9.205 6.624 1.00 22.43 O ATOM 833 CB ASP A 56 -28.763 -10.878 4.416 1.00 24.03 C ATOM 834 CG ASP A 56 -29.076 -11.618 5.701 1.00 74.11 C ATOM 835 OD1 ASP A 56 -28.443 -11.308 6.733 1.00 70.55 O ATOM 836 OD2 ASP A 56 -29.953 -12.505 5.675 1.00 42.54 O1- ATOM 0 H ASP A 56 -27.024 -9.348 5.256 1.00 1.11 H new ATOM 0 HA ASP A 56 -29.169 -8.955 3.546 1.00 50.12 H new ATOM 0 HB2 ASP A 56 -29.384 -11.273 3.612 1.00 24.03 H new ATOM 0 HB3 ASP A 56 -27.726 -11.063 4.137 1.00 24.03 H new ATOM 841 N GLY A 57 -31.328 -8.749 4.751 1.00 23.23 N ATOM 842 CA GLY A 57 -32.555 -8.467 5.474 1.00 2.42 C ATOM 843 C GLY A 57 -32.673 -7.008 5.867 1.00 30.44 C ATOM 844 O GLY A 57 -33.680 -6.593 6.441 1.00 50.43 O ATOM 0 H GLY A 57 -31.397 -8.656 3.738 1.00 23.23 H new ATOM 0 HA2 GLY A 57 -33.409 -8.744 4.856 1.00 2.42 H new ATOM 0 HA3 GLY A 57 -32.596 -9.086 6.370 1.00 2.42 H new ATOM 848 N ASP A 58 -31.643 -6.228 5.559 1.00 1.23 N ATOM 849 CA ASP A 58 -31.636 -4.806 5.884 1.00 24.33 C ATOM 850 C ASP A 58 -32.063 -3.972 4.681 1.00 44.22 C ATOM 851 O ASP A 58 -31.251 -3.659 3.810 1.00 4.32 O ATOM 852 CB ASP A 58 -30.245 -4.376 6.352 1.00 74.23 C ATOM 853 CG ASP A 58 -30.302 -3.374 7.489 1.00 42.34 C ATOM 854 OD1 ASP A 58 -31.387 -2.803 7.725 1.00 52.45 O ATOM 855 OD2 ASP A 58 -29.260 -3.164 8.146 1.00 60.24 O1- ATOM 0 H ASP A 58 -30.802 -6.556 5.085 1.00 1.23 H new ATOM 0 HA ASP A 58 -32.350 -4.638 6.690 1.00 24.33 H new ATOM 0 HB2 ASP A 58 -29.685 -5.254 6.673 1.00 74.23 H new ATOM 0 HB3 ASP A 58 -29.701 -3.940 5.514 1.00 74.23 H new ATOM 860 N LEU A 59 -33.343 -3.614 4.640 1.00 1.10 N ATOM 861 CA LEU A 59 -33.879 -2.816 3.542 1.00 32.31 C ATOM 862 C LEU A 59 -33.295 -1.407 3.559 1.00 22.24 C ATOM 863 O LEU A 59 -33.162 -0.767 2.514 1.00 63.34 O ATOM 864 CB LEU A 59 -35.404 -2.750 3.632 1.00 63.13 C ATOM 865 CG LEU A 59 -36.113 -4.059 3.980 1.00 21.11 C ATOM 866 CD1 LEU A 59 -37.014 -3.872 5.191 1.00 3.32 C ATOM 867 CD2 LEU A 59 -36.916 -4.564 2.790 1.00 13.30 C ATOM 0 H LEU A 59 -34.028 -3.864 5.354 1.00 1.10 H new ATOM 0 HA LEU A 59 -33.597 -3.295 2.604 1.00 32.31 H new ATOM 0 HB2 LEU A 59 -35.672 -2.005 4.381 1.00 63.13 H new ATOM 0 HB3 LEU A 59 -35.789 -2.394 2.676 1.00 63.13 H new ATOM 0 HG LEU A 59 -35.357 -4.805 4.226 1.00 21.11 H new ATOM 0 HD11 LEU A 59 -37.510 -4.814 5.424 1.00 3.32 H new ATOM 0 HD12 LEU A 59 -36.415 -3.557 6.045 1.00 3.32 H new ATOM 0 HD13 LEU A 59 -37.763 -3.111 4.973 1.00 3.32 H new ATOM 0 HD21 LEU A 59 -37.414 -5.496 3.056 1.00 13.30 H new ATOM 0 HD22 LEU A 59 -37.663 -3.820 2.513 1.00 13.30 H new ATOM 0 HD23 LEU A 59 -36.247 -4.738 1.947 1.00 13.30 H new ATOM 879 N LEU A 60 -32.946 -0.930 4.748 1.00 4.23 N ATOM 880 CA LEU A 60 -32.374 0.403 4.901 1.00 33.23 C ATOM 881 C LEU A 60 -33.365 1.475 4.456 1.00 4.21 C ATOM 882 O LEU A 60 -32.989 2.623 4.218 1.00 64.02 O ATOM 883 CB LEU A 60 -31.082 0.520 4.091 1.00 0.12 C ATOM 884 CG LEU A 60 -30.043 -0.577 4.324 1.00 74.51 C ATOM 885 CD1 LEU A 60 -28.778 -0.291 3.530 1.00 63.21 C ATOM 886 CD2 LEU A 60 -29.727 -0.707 5.807 1.00 1.41 C ATOM 0 H LEU A 60 -33.049 -1.447 5.621 1.00 4.23 H new ATOM 0 HA LEU A 60 -32.150 0.557 5.957 1.00 33.23 H new ATOM 0 HB2 LEU A 60 -31.340 0.529 3.032 1.00 0.12 H new ATOM 0 HB3 LEU A 60 -30.622 1.482 4.315 1.00 0.12 H new ATOM 0 HG LEU A 60 -30.458 -1.523 3.978 1.00 74.51 H new ATOM 0 HD11 LEU A 60 -28.050 -1.082 3.708 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -29.017 -0.250 2.467 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -28.359 0.665 3.845 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -28.986 -1.493 5.954 1.00 1.41 H new ATOM 0 HD22 LEU A 60 -29.332 0.238 6.179 1.00 1.41 H new ATOM 0 HD23 LEU A 60 -30.636 -0.960 6.352 1.00 1.41 H new ATOM 898 N VAL A 61 -34.634 1.093 4.349 1.00 0.20 N ATOM 899 CA VAL A 61 -35.680 2.022 3.936 1.00 71.21 C ATOM 900 C VAL A 61 -37.063 1.407 4.117 1.00 70.32 C ATOM 901 O VAL A 61 -37.254 0.209 3.908 1.00 31.11 O ATOM 902 CB VAL A 61 -35.505 2.446 2.466 1.00 31.34 C ATOM 903 CG1 VAL A 61 -35.972 1.340 1.532 1.00 4.22 C ATOM 904 CG2 VAL A 61 -36.259 3.739 2.192 1.00 2.31 C ATOM 0 H VAL A 61 -34.963 0.147 4.543 1.00 0.20 H new ATOM 0 HA VAL A 61 -35.592 2.903 4.572 1.00 71.21 H new ATOM 0 HB VAL A 61 -34.446 2.623 2.280 1.00 31.34 H new ATOM 0 HG11 VAL A 61 -35.841 1.658 0.498 1.00 4.22 H new ATOM 0 HG12 VAL A 61 -35.385 0.439 1.712 1.00 4.22 H new ATOM 0 HG13 VAL A 61 -37.025 1.129 1.716 1.00 4.22 H new ATOM 0 HG21 VAL A 61 -36.125 4.024 1.149 1.00 2.31 H new ATOM 0 HG22 VAL A 61 -37.320 3.591 2.394 1.00 2.31 H new ATOM 0 HG23 VAL A 61 -35.873 4.529 2.837 1.00 2.31 H new ATOM 914 N GLY A 62 -38.028 2.235 4.507 1.00 71.04 N ATOM 915 CA GLY A 62 -39.382 1.755 4.707 1.00 31.12 C ATOM 916 C GLY A 62 -40.329 2.218 3.618 1.00 34.53 C ATOM 917 O GLY A 62 -40.795 3.356 3.633 1.00 41.31 O ATOM 0 H GLY A 62 -37.895 3.230 4.688 1.00 71.04 H new ATOM 0 HA2 GLY A 62 -39.377 0.666 4.740 1.00 31.12 H new ATOM 0 HA3 GLY A 62 -39.748 2.102 5.674 1.00 31.12 H new ATOM 921 N LYS A 63 -40.613 1.332 2.668 1.00 64.14 N ATOM 922 CA LYS A 63 -41.510 1.655 1.565 1.00 33.22 C ATOM 923 C LYS A 63 -42.590 0.589 1.413 1.00 20.52 C ATOM 924 O LYS A 63 -42.291 -0.586 1.196 1.00 13.53 O ATOM 925 CB LYS A 63 -40.721 1.787 0.261 1.00 74.02 C ATOM 926 CG LYS A 63 -41.341 2.758 -0.729 1.00 20.40 C ATOM 927 CD LYS A 63 -40.285 3.409 -1.608 1.00 71.32 C ATOM 928 CE LYS A 63 -39.815 2.465 -2.704 1.00 42.40 C ATOM 929 NZ LYS A 63 -38.603 1.701 -2.296 1.00 61.51 N1+ ATOM 0 H LYS A 63 -40.235 0.385 2.640 1.00 64.14 H new ATOM 0 HA LYS A 63 -41.992 2.607 1.788 1.00 33.22 H new ATOM 0 HB2 LYS A 63 -39.707 2.114 0.491 1.00 74.02 H new ATOM 0 HB3 LYS A 63 -40.641 0.806 -0.207 1.00 74.02 H new ATOM 0 HG2 LYS A 63 -42.062 2.231 -1.354 1.00 20.40 H new ATOM 0 HG3 LYS A 63 -41.891 3.528 -0.189 1.00 20.40 H new ATOM 0 HD2 LYS A 63 -40.691 4.316 -2.056 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -39.435 3.710 -0.996 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -40.616 1.769 -2.952 1.00 42.40 H new ATOM 0 HE3 LYS A 63 -39.598 3.036 -3.607 1.00 42.40 H new ATOM 0 HZ1 LYS A 63 -37.934 1.660 -3.092 1.00 61.51 H new ATOM 0 HZ2 LYS A 63 -38.151 2.174 -1.488 1.00 61.51 H new ATOM 0 HZ3 LYS A 63 -38.877 0.735 -2.024 1.00 61.51 H new ATOM 943 N VAL A 64 -43.847 1.006 1.525 1.00 71.05 N ATOM 944 CA VAL A 64 -44.972 0.086 1.397 1.00 72.21 C ATOM 945 C VAL A 64 -46.247 0.828 1.014 1.00 72.14 C ATOM 946 O VAL A 64 -46.579 1.860 1.598 1.00 61.31 O ATOM 947 CB VAL A 64 -45.216 -0.688 2.706 1.00 41.14 C ATOM 948 CG1 VAL A 64 -44.311 -1.909 2.781 1.00 41.34 C ATOM 949 CG2 VAL A 64 -45.003 0.219 3.909 1.00 71.41 C ATOM 0 H VAL A 64 -44.112 1.974 1.704 1.00 71.05 H new ATOM 0 HA VAL A 64 -44.715 -0.621 0.608 1.00 72.21 H new ATOM 0 HB VAL A 64 -46.251 -1.031 2.718 1.00 41.14 H new ATOM 0 HG11 VAL A 64 -44.497 -2.443 3.713 1.00 41.34 H new ATOM 0 HG12 VAL A 64 -44.518 -2.567 1.937 1.00 41.34 H new ATOM 0 HG13 VAL A 64 -43.269 -1.592 2.747 1.00 41.34 H new ATOM 0 HG21 VAL A 64 -45.180 -0.344 4.825 1.00 71.41 H new ATOM 0 HG22 VAL A 64 -43.980 0.594 3.905 1.00 71.41 H new ATOM 0 HG23 VAL A 64 -45.697 1.058 3.859 1.00 71.41 H new ATOM 959 N THR A 65 -46.961 0.296 0.026 1.00 75.31 N ATOM 960 CA THR A 65 -48.200 0.908 -0.437 1.00 21.11 C ATOM 961 C THR A 65 -49.403 0.035 -0.099 1.00 50.33 C ATOM 962 O THR A 65 -49.286 -1.172 0.113 1.00 22.30 O ATOM 963 CB THR A 65 -48.171 1.154 -1.957 1.00 51.22 C ATOM 964 OG1 THR A 65 -47.210 0.292 -2.576 1.00 52.43 O ATOM 965 CG2 THR A 65 -47.829 2.604 -2.263 1.00 65.41 C ATOM 0 H THR A 65 -46.702 -0.558 -0.469 1.00 75.31 H new ATOM 0 HA THR A 65 -48.292 1.865 0.077 1.00 21.11 H new ATOM 0 HB THR A 65 -49.162 0.938 -2.356 1.00 51.22 H new ATOM 0 HG1 THR A 65 -47.200 0.454 -3.542 1.00 52.43 H new ATOM 0 HG21 THR A 65 -47.814 2.754 -3.342 1.00 65.41 H new ATOM 0 HG22 THR A 65 -48.579 3.257 -1.816 1.00 65.41 H new ATOM 0 HG23 THR A 65 -46.849 2.842 -1.850 1.00 65.41 H new ATOM 973 N PRO A 66 -50.590 0.658 -0.045 1.00 71.34 N ATOM 974 CA PRO A 66 -51.839 -0.044 0.267 1.00 72.00 C ATOM 975 C PRO A 66 -52.272 -0.983 -0.855 1.00 31.14 C ATOM 976 O PRO A 66 -51.853 -0.831 -2.003 1.00 4.01 O ATOM 977 CB PRO A 66 -52.851 1.092 0.433 1.00 54.11 C ATOM 978 CG PRO A 66 -52.301 2.214 -0.377 1.00 72.32 C ATOM 979 CD PRO A 66 -50.805 2.095 -0.286 1.00 51.54 C ATOM 0 HA PRO A 66 -51.741 -0.679 1.147 1.00 72.00 H new ATOM 0 HB2 PRO A 66 -53.839 0.796 0.080 1.00 54.11 H new ATOM 0 HB3 PRO A 66 -52.959 1.376 1.480 1.00 54.11 H new ATOM 0 HG2 PRO A 66 -52.636 2.149 -1.412 1.00 72.32 H new ATOM 0 HG3 PRO A 66 -52.640 3.176 0.007 1.00 72.32 H new ATOM 0 HD2 PRO A 66 -50.319 2.425 -1.204 1.00 51.54 H new ATOM 0 HD3 PRO A 66 -50.402 2.703 0.524 1.00 51.54 H new ATOM 987 N LYS A 67 -53.114 -1.952 -0.516 1.00 13.34 N ATOM 988 CA LYS A 67 -53.605 -2.916 -1.493 1.00 22.03 C ATOM 989 C LYS A 67 -55.129 -2.995 -1.461 1.00 61.40 C ATOM 990 O LYS A 67 -55.774 -2.375 -0.617 1.00 45.12 O ATOM 991 CB LYS A 67 -53.006 -4.298 -1.224 1.00 13.12 C ATOM 992 CG LYS A 67 -51.610 -4.477 -1.796 1.00 24.12 C ATOM 993 CD LYS A 67 -51.219 -5.944 -1.859 1.00 43.33 C ATOM 994 CE LYS A 67 -51.877 -6.648 -3.036 1.00 51.24 C ATOM 995 NZ LYS A 67 -51.026 -6.604 -4.256 1.00 22.33 N1+ ATOM 0 H LYS A 67 -53.471 -2.091 0.429 1.00 13.34 H new ATOM 0 HA LYS A 67 -53.297 -2.581 -2.483 1.00 22.03 H new ATOM 0 HB2 LYS A 67 -52.973 -4.467 -0.148 1.00 13.12 H new ATOM 0 HB3 LYS A 67 -53.663 -5.058 -1.646 1.00 13.12 H new ATOM 0 HG2 LYS A 67 -51.567 -4.044 -2.796 1.00 24.12 H new ATOM 0 HG3 LYS A 67 -50.892 -3.934 -1.182 1.00 24.12 H new ATOM 0 HD2 LYS A 67 -50.136 -6.029 -1.943 1.00 43.33 H new ATOM 0 HD3 LYS A 67 -51.507 -6.438 -0.931 1.00 43.33 H new ATOM 0 HE2 LYS A 67 -52.079 -7.686 -2.771 1.00 51.24 H new ATOM 0 HE3 LYS A 67 -52.839 -6.180 -3.247 1.00 51.24 H new ATOM 0 HZ1 LYS A 67 -51.510 -7.094 -5.035 1.00 22.33 H new ATOM 0 HZ2 LYS A 67 -50.854 -5.614 -4.524 1.00 22.33 H new ATOM 0 HZ3 LYS A 67 -50.118 -7.073 -4.063 1.00 22.33 H new ATOM 1009 N GLY A 68 -55.697 -3.764 -2.385 1.00 41.33 N ATOM 1010 CA GLY A 68 -57.139 -3.912 -2.443 1.00 62.55 C ATOM 1011 C GLY A 68 -57.590 -5.328 -2.145 1.00 22.32 C ATOM 1012 O GLY A 68 -56.772 -6.197 -1.844 1.00 24.52 O ATOM 0 H GLY A 68 -55.184 -4.287 -3.094 1.00 41.33 H new ATOM 0 HA2 GLY A 68 -57.600 -3.230 -1.729 1.00 62.55 H new ATOM 0 HA3 GLY A 68 -57.491 -3.623 -3.433 1.00 62.55 H new ATOM 1355 N VAL A 90 -51.651 -5.066 2.329 1.00 14.00 N ATOM 1356 CA VAL A 90 -50.638 -4.090 1.946 1.00 43.15 C ATOM 1357 C VAL A 90 -49.577 -4.720 1.052 1.00 34.22 C ATOM 1358 O VAL A 90 -49.431 -5.942 1.010 1.00 14.45 O ATOM 1359 CB VAL A 90 -49.952 -3.479 3.183 1.00 61.31 C ATOM 1360 CG1 VAL A 90 -48.952 -4.458 3.779 1.00 61.42 C ATOM 1361 CG2 VAL A 90 -49.275 -2.166 2.822 1.00 63.51 C ATOM 0 HA VAL A 90 -51.151 -3.301 1.396 1.00 43.15 H new ATOM 0 HB VAL A 90 -50.714 -3.274 3.935 1.00 61.31 H new ATOM 0 HG11 VAL A 90 -48.478 -4.008 4.651 1.00 61.42 H new ATOM 0 HG12 VAL A 90 -49.469 -5.370 4.077 1.00 61.42 H new ATOM 0 HG13 VAL A 90 -48.191 -4.698 3.036 1.00 61.42 H new ATOM 0 HG21 VAL A 90 -48.796 -1.748 3.707 1.00 63.51 H new ATOM 0 HG22 VAL A 90 -48.524 -2.343 2.052 1.00 63.51 H new ATOM 0 HG23 VAL A 90 -50.020 -1.464 2.447 1.00 63.51 H new ATOM 1371 N ARG A 91 -48.838 -3.878 0.335 1.00 25.45 N ATOM 1372 CA ARG A 91 -47.791 -4.353 -0.561 1.00 3.45 C ATOM 1373 C ARG A 91 -46.409 -4.009 -0.013 1.00 15.52 C ATOM 1374 O ARG A 91 -46.239 -3.008 0.685 1.00 10.53 O ATOM 1375 CB ARG A 91 -47.966 -3.743 -1.953 1.00 35.24 C ATOM 1376 CG ARG A 91 -47.189 -4.471 -3.039 1.00 1.41 C ATOM 1377 CD ARG A 91 -47.457 -3.872 -4.411 1.00 62.05 C ATOM 1378 NE ARG A 91 -46.357 -4.118 -5.339 1.00 32.31 N ATOM 1379 CZ ARG A 91 -46.361 -3.717 -6.606 1.00 62.40 C ATOM 1380 NH1 ARG A 91 -47.403 -3.057 -7.092 1.00 60.23 N1+ ATOM 1381 NH2 ARG A 91 -45.322 -3.978 -7.389 1.00 63.42 N ATOM 0 H ARG A 91 -48.946 -2.864 0.358 1.00 25.45 H new ATOM 0 HA ARG A 91 -47.874 -5.437 -0.634 1.00 3.45 H new ATOM 0 HB2 ARG A 91 -49.025 -3.746 -2.211 1.00 35.24 H new ATOM 0 HB3 ARG A 91 -47.647 -2.701 -1.927 1.00 35.24 H new ATOM 0 HG2 ARG A 91 -46.122 -4.421 -2.821 1.00 1.41 H new ATOM 0 HG3 ARG A 91 -47.465 -5.526 -3.041 1.00 1.41 H new ATOM 0 HD2 ARG A 91 -48.376 -4.294 -4.818 1.00 62.05 H new ATOM 0 HD3 ARG A 91 -47.616 -2.798 -4.313 1.00 62.05 H new ATOM 0 HE ARG A 91 -45.541 -4.625 -4.996 1.00 32.31 H new ATOM 0 HH11 ARG A 91 -48.204 -2.856 -6.493 1.00 60.23 H new ATOM 0 HH12 ARG A 91 -47.404 -2.750 -8.065 1.00 60.23 H new ATOM 0 HH21 ARG A 91 -44.519 -4.487 -7.019 1.00 63.42 H new ATOM 0 HH22 ARG A 91 -45.326 -3.670 -8.361 1.00 63.42 H new ATOM 1395 N ASP A 92 -45.427 -4.843 -0.333 1.00 43.34 N ATOM 1396 CA ASP A 92 -44.060 -4.627 0.127 1.00 22.20 C ATOM 1397 C ASP A 92 -43.179 -4.116 -1.009 1.00 4.24 C ATOM 1398 O ASP A 92 -42.673 -4.895 -1.817 1.00 43.15 O ATOM 1399 CB ASP A 92 -43.479 -5.923 0.695 1.00 42.30 C ATOM 1400 CG ASP A 92 -43.858 -7.138 -0.129 1.00 10.14 C ATOM 1401 OD1 ASP A 92 -45.007 -7.608 -0.002 1.00 24.00 O ATOM 1402 OD2 ASP A 92 -43.004 -7.618 -0.904 1.00 53.42 O1- ATOM 0 H ASP A 92 -45.551 -5.675 -0.909 1.00 43.34 H new ATOM 0 HA ASP A 92 -44.083 -3.873 0.914 1.00 22.20 H new ATOM 0 HB2 ASP A 92 -42.393 -5.842 0.739 1.00 42.30 H new ATOM 0 HB3 ASP A 92 -43.830 -6.057 1.718 1.00 42.30 H new ATOM 1407 N THR A 93 -43.001 -2.799 -1.066 1.00 3.24 N ATOM 1408 CA THR A 93 -42.183 -2.183 -2.104 1.00 15.11 C ATOM 1409 C THR A 93 -40.903 -1.596 -1.520 1.00 15.23 C ATOM 1410 O THR A 93 -40.389 -0.592 -2.012 1.00 31.43 O ATOM 1411 CB THR A 93 -42.955 -1.072 -2.840 1.00 51.14 C ATOM 1412 OG1 THR A 93 -43.049 0.092 -2.010 1.00 20.55 O ATOM 1413 CG2 THR A 93 -44.351 -1.542 -3.222 1.00 32.22 C ATOM 0 H THR A 93 -43.412 -2.139 -0.406 1.00 3.24 H new ATOM 0 HA THR A 93 -41.927 -2.970 -2.814 1.00 15.11 H new ATOM 0 HB THR A 93 -42.410 -0.826 -3.751 1.00 51.14 H new ATOM 0 HG1 THR A 93 -43.540 0.794 -2.486 1.00 20.55 H new ATOM 0 HG21 THR A 93 -44.876 -0.740 -3.740 1.00 32.22 H new ATOM 0 HG22 THR A 93 -44.276 -2.410 -3.878 1.00 32.22 H new ATOM 0 HG23 THR A 93 -44.902 -1.814 -2.322 1.00 32.22 H new ATOM 1421 N SER A 94 -40.393 -2.231 -0.469 1.00 41.23 N ATOM 1422 CA SER A 94 -39.174 -1.769 0.185 1.00 71.52 C ATOM 1423 C SER A 94 -37.958 -2.005 -0.707 1.00 43.33 C ATOM 1424 O SER A 94 -38.044 -2.693 -1.725 1.00 3.02 O ATOM 1425 CB SER A 94 -38.985 -2.484 1.523 1.00 20.52 C ATOM 1426 OG SER A 94 -40.139 -2.357 2.337 1.00 2.23 O ATOM 0 H SER A 94 -40.805 -3.066 -0.053 1.00 41.23 H new ATOM 0 HA SER A 94 -39.270 -0.698 0.365 1.00 71.52 H new ATOM 0 HB2 SER A 94 -38.774 -3.539 1.348 1.00 20.52 H new ATOM 0 HB3 SER A 94 -38.122 -2.068 2.043 1.00 20.52 H new ATOM 0 HG SER A 94 -40.759 -1.717 1.928 1.00 2.23 H new ATOM 1432 N LEU A 95 -36.826 -1.429 -0.317 1.00 11.13 N ATOM 1433 CA LEU A 95 -35.591 -1.576 -1.078 1.00 34.44 C ATOM 1434 C LEU A 95 -34.947 -2.934 -0.816 1.00 62.22 C ATOM 1435 O LEU A 95 -35.078 -3.493 0.272 1.00 61.44 O ATOM 1436 CB LEU A 95 -34.612 -0.456 -0.720 1.00 53.31 C ATOM 1437 CG LEU A 95 -33.210 -0.574 -1.318 1.00 14.14 C ATOM 1438 CD1 LEU A 95 -32.674 0.798 -1.697 1.00 71.33 C ATOM 1439 CD2 LEU A 95 -32.270 -1.264 -0.342 1.00 61.44 C ATOM 0 H LEU A 95 -36.738 -0.856 0.522 1.00 11.13 H new ATOM 0 HA LEU A 95 -35.837 -1.511 -2.138 1.00 34.44 H new ATOM 0 HB2 LEU A 95 -35.043 0.492 -1.040 1.00 53.31 H new ATOM 0 HB3 LEU A 95 -34.520 -0.414 0.365 1.00 53.31 H new ATOM 0 HG LEU A 95 -33.272 -1.180 -2.222 1.00 14.14 H new ATOM 0 HD11 LEU A 95 -31.675 0.694 -2.121 1.00 71.33 H new ATOM 0 HD12 LEU A 95 -33.335 1.256 -2.433 1.00 71.33 H new ATOM 0 HD13 LEU A 95 -32.627 1.428 -0.809 1.00 71.33 H new ATOM 0 HD21 LEU A 95 -31.277 -1.339 -0.785 1.00 61.44 H new ATOM 0 HD22 LEU A 95 -32.214 -0.685 0.580 1.00 61.44 H new ATOM 0 HD23 LEU A 95 -32.645 -2.263 -0.120 1.00 61.44 H new ATOM 1451 N ARG A 96 -34.250 -3.455 -1.820 1.00 22.20 N ATOM 1452 CA ARG A 96 -33.584 -4.746 -1.698 1.00 2.41 C ATOM 1453 C ARG A 96 -32.108 -4.567 -1.356 1.00 14.45 C ATOM 1454 O ARG A 96 -31.465 -3.621 -1.812 1.00 63.30 O ATOM 1455 CB ARG A 96 -33.725 -5.543 -2.996 1.00 44.25 C ATOM 1456 CG ARG A 96 -35.141 -6.030 -3.261 1.00 63.41 C ATOM 1457 CD ARG A 96 -35.154 -7.479 -3.722 1.00 52.41 C ATOM 1458 NE ARG A 96 -36.458 -8.106 -3.523 1.00 50.34 N ATOM 1459 CZ ARG A 96 -36.865 -8.599 -2.359 1.00 2.41 C ATOM 1460 NH1 ARG A 96 -36.074 -8.539 -1.296 1.00 13.23 N1+ ATOM 1461 NH2 ARG A 96 -38.066 -9.154 -2.256 1.00 2.33 N ATOM 0 H ARG A 96 -34.132 -3.003 -2.727 1.00 22.20 H new ATOM 0 HA ARG A 96 -34.062 -5.297 -0.888 1.00 2.41 H new ATOM 0 HB2 ARG A 96 -33.401 -4.922 -3.831 1.00 44.25 H new ATOM 0 HB3 ARG A 96 -33.055 -6.402 -2.960 1.00 44.25 H new ATOM 0 HG2 ARG A 96 -35.737 -5.930 -2.354 1.00 63.41 H new ATOM 0 HG3 ARG A 96 -35.607 -5.401 -4.020 1.00 63.41 H new ATOM 0 HD2 ARG A 96 -34.887 -7.526 -4.778 1.00 52.41 H new ATOM 0 HD3 ARG A 96 -34.395 -8.040 -3.176 1.00 52.41 H new ATOM 0 HE ARG A 96 -37.090 -8.169 -4.321 1.00 50.34 H new ATOM 0 HH11 ARG A 96 -35.150 -8.113 -1.371 1.00 13.23 H new ATOM 0 HH12 ARG A 96 -36.390 -8.919 -0.403 1.00 13.23 H new ATOM 0 HH21 ARG A 96 -38.677 -9.202 -3.071 1.00 2.33 H new ATOM 0 HH22 ARG A 96 -38.378 -9.532 -1.362 1.00 2.33 H new ATOM 1475 N VAL A 97 -31.576 -5.482 -0.552 1.00 32.32 N ATOM 1476 CA VAL A 97 -30.175 -5.425 -0.150 1.00 32.11 C ATOM 1477 C VAL A 97 -29.558 -6.818 -0.109 1.00 2.42 C ATOM 1478 O VAL A 97 -30.097 -7.745 0.496 1.00 4.01 O ATOM 1479 CB VAL A 97 -30.014 -4.764 1.231 1.00 24.41 C ATOM 1480 CG1 VAL A 97 -28.632 -5.045 1.800 1.00 40.42 C ATOM 1481 CG2 VAL A 97 -30.266 -3.266 1.137 1.00 52.15 C ATOM 0 H VAL A 97 -32.094 -6.272 -0.166 1.00 32.32 H new ATOM 0 HA VAL A 97 -29.656 -4.823 -0.896 1.00 32.11 H new ATOM 0 HB VAL A 97 -30.753 -5.192 1.908 1.00 24.41 H new ATOM 0 HG11 VAL A 97 -28.537 -4.570 2.776 1.00 40.42 H new ATOM 0 HG12 VAL A 97 -28.494 -6.121 1.905 1.00 40.42 H new ATOM 0 HG13 VAL A 97 -27.873 -4.646 1.127 1.00 40.42 H new ATOM 0 HG21 VAL A 97 -30.148 -2.815 2.122 1.00 52.15 H new ATOM 0 HG22 VAL A 97 -29.552 -2.820 0.445 1.00 52.15 H new ATOM 0 HG23 VAL A 97 -31.279 -3.089 0.776 1.00 52.15 H new ATOM 1491 N PRO A 98 -28.401 -6.973 -0.769 1.00 12.13 N ATOM 1492 CA PRO A 98 -27.684 -8.250 -0.822 1.00 3.14 C ATOM 1493 C PRO A 98 -27.082 -8.634 0.526 1.00 31.21 C ATOM 1494 O PRO A 98 -27.022 -7.817 1.446 1.00 54.31 O ATOM 1495 CB PRO A 98 -26.579 -7.995 -1.849 1.00 5.32 C ATOM 1496 CG PRO A 98 -26.360 -6.522 -1.812 1.00 31.15 C ATOM 1497 CD PRO A 98 -27.701 -5.912 -1.512 1.00 23.22 C ATOM 0 HA PRO A 98 -28.344 -9.077 -1.083 1.00 3.14 H new ATOM 0 HB2 PRO A 98 -25.668 -8.537 -1.594 1.00 5.32 H new ATOM 0 HB3 PRO A 98 -26.879 -8.326 -2.843 1.00 5.32 H new ATOM 0 HG2 PRO A 98 -25.630 -6.255 -1.048 1.00 31.15 H new ATOM 0 HG3 PRO A 98 -25.971 -6.161 -2.764 1.00 31.15 H new ATOM 0 HD2 PRO A 98 -27.605 -5.003 -0.919 1.00 23.22 H new ATOM 0 HD3 PRO A 98 -28.233 -5.643 -2.424 1.00 23.22 H new ATOM 1505 N HIS A 99 -26.634 -9.881 0.636 1.00 2.03 N ATOM 1506 CA HIS A 99 -26.034 -10.371 1.872 1.00 40.20 C ATOM 1507 C HIS A 99 -24.731 -9.636 2.173 1.00 23.32 C ATOM 1508 O HIS A 99 -23.806 -9.636 1.363 1.00 3.54 O ATOM 1509 CB HIS A 99 -25.774 -11.875 1.776 1.00 10.22 C ATOM 1510 CG HIS A 99 -25.011 -12.426 2.940 1.00 63.35 C ATOM 1511 ND1 HIS A 99 -23.646 -12.621 2.921 1.00 22.30 N ATOM 1512 CD2 HIS A 99 -25.429 -12.824 4.165 1.00 12.11 C ATOM 1513 CE1 HIS A 99 -23.258 -13.116 4.084 1.00 51.45 C ATOM 1514 NE2 HIS A 99 -24.322 -13.248 4.855 1.00 54.33 N ATOM 0 H HIS A 99 -26.675 -10.570 -0.115 1.00 2.03 H new ATOM 0 HA HIS A 99 -26.734 -10.182 2.686 1.00 40.20 H new ATOM 0 HB2 HIS A 99 -26.728 -12.396 1.698 1.00 10.22 H new ATOM 0 HB3 HIS A 99 -25.222 -12.082 0.859 1.00 10.22 H new ATOM 0 HD2 HIS A 99 -26.445 -12.810 4.531 1.00 12.11 H new ATOM 0 HE1 HIS A 99 -22.244 -13.369 4.357 1.00 51.45 H new ATOM 0 HE2 HIS A 99 -24.321 -13.607 5.810 1.00 54.33 H new ATOM 1522 N GLY A 100 -24.669 -9.007 3.343 1.00 52.11 N ATOM 1523 CA GLY A 100 -23.477 -8.276 3.730 1.00 34.40 C ATOM 1524 C GLY A 100 -23.451 -6.870 3.164 1.00 32.53 C ATOM 1525 O GLY A 100 -23.231 -5.904 3.894 1.00 13.43 O ATOM 0 H GLY A 100 -25.423 -8.991 4.029 1.00 52.11 H new ATOM 0 HA2 GLY A 100 -23.421 -8.228 4.817 1.00 34.40 H new ATOM 0 HA3 GLY A 100 -22.595 -8.818 3.389 1.00 34.40 H new ATOM 1529 N GLY A 101 -23.675 -6.754 1.859 1.00 3.44 N ATOM 1530 CA GLY A 101 -23.670 -5.452 1.219 1.00 63.32 C ATOM 1531 C GLY A 101 -22.294 -5.057 0.718 1.00 13.11 C ATOM 1532 O GLY A 101 -22.166 -4.399 -0.314 1.00 41.12 O ATOM 0 H GLY A 101 -23.860 -7.538 1.234 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -24.369 -5.459 0.383 1.00 63.32 H new ATOM 0 HA3 GLY A 101 -24.025 -4.702 1.926 1.00 63.32 H new ATOM 1536 N GLY A 102 -21.262 -5.459 1.453 1.00 35.30 N ATOM 1537 CA GLY A 102 -19.902 -5.132 1.062 1.00 42.33 C ATOM 1538 C GLY A 102 -19.322 -3.994 1.878 1.00 11.11 C ATOM 1539 O GLY A 102 -18.146 -4.014 2.237 1.00 65.03 O ATOM 0 H GLY A 102 -21.342 -6.005 2.311 1.00 35.30 H new ATOM 0 HA2 GLY A 102 -19.272 -6.014 1.176 1.00 42.33 H new ATOM 0 HA3 GLY A 102 -19.886 -4.863 0.006 1.00 42.33 H new ATOM 1543 N GLY A 103 -20.151 -2.995 2.171 1.00 42.51 N ATOM 1544 CA GLY A 103 -19.695 -1.856 2.947 1.00 70.24 C ATOM 1545 C GLY A 103 -20.661 -1.485 4.054 1.00 14.31 C ATOM 1546 O GLY A 103 -21.485 -2.301 4.469 1.00 75.45 O ATOM 0 H GLY A 103 -21.129 -2.955 1.885 1.00 42.51 H new ATOM 0 HA2 GLY A 103 -18.721 -2.082 3.380 1.00 70.24 H new ATOM 0 HA3 GLY A 103 -19.559 -1.000 2.285 1.00 70.24 H new ATOM 1550 N ILE A 104 -20.560 -0.250 4.535 1.00 10.42 N ATOM 1551 CA ILE A 104 -21.432 0.227 5.602 1.00 73.30 C ATOM 1552 C ILE A 104 -22.042 1.580 5.249 1.00 61.32 C ATOM 1553 O ILE A 104 -21.428 2.384 4.547 1.00 74.25 O ATOM 1554 CB ILE A 104 -20.673 0.350 6.937 1.00 31.42 C ATOM 1555 CG1 ILE A 104 -20.163 -1.019 7.387 1.00 73.31 C ATOM 1556 CG2 ILE A 104 -21.571 0.964 8.001 1.00 75.13 C ATOM 1557 CD1 ILE A 104 -19.270 -0.960 8.606 1.00 42.35 C ATOM 0 H ILE A 104 -19.884 0.438 4.203 1.00 10.42 H new ATOM 0 HA ILE A 104 -22.228 -0.510 5.713 1.00 73.30 H new ATOM 0 HB ILE A 104 -19.814 1.005 6.791 1.00 31.42 H new ATOM 0 HG12 ILE A 104 -21.016 -1.663 7.602 1.00 73.31 H new ATOM 0 HG13 ILE A 104 -19.614 -1.481 6.566 1.00 73.31 H new ATOM 0 HG21 ILE A 104 -21.021 1.045 8.939 1.00 75.13 H new ATOM 0 HG22 ILE A 104 -21.889 1.956 7.680 1.00 75.13 H new ATOM 0 HG23 ILE A 104 -22.447 0.332 8.147 1.00 75.13 H new ATOM 0 HD11 ILE A 104 -18.946 -1.967 8.868 1.00 42.35 H new ATOM 0 HD12 ILE A 104 -18.398 -0.343 8.389 1.00 42.35 H new ATOM 0 HD13 ILE A 104 -19.822 -0.528 9.441 1.00 42.35 H new ATOM 1569 N ILE A 105 -23.251 1.823 5.742 1.00 72.41 N ATOM 1570 CA ILE A 105 -23.943 3.080 5.481 1.00 11.13 C ATOM 1571 C ILE A 105 -23.188 4.258 6.086 1.00 43.31 C ATOM 1572 O ILE A 105 -23.276 4.516 7.288 1.00 71.54 O ATOM 1573 CB ILE A 105 -25.377 3.060 6.043 1.00 21.24 C ATOM 1574 CG1 ILE A 105 -26.114 1.804 5.573 1.00 33.43 C ATOM 1575 CG2 ILE A 105 -26.129 4.313 5.618 1.00 13.51 C ATOM 1576 CD1 ILE A 105 -26.318 1.747 4.075 1.00 11.11 C ATOM 0 H ILE A 105 -23.772 1.167 6.324 1.00 72.41 H new ATOM 0 HA ILE A 105 -23.988 3.198 4.398 1.00 11.13 H new ATOM 0 HB ILE A 105 -25.326 3.042 7.132 1.00 21.24 H new ATOM 0 HG12 ILE A 105 -25.553 0.924 5.889 1.00 33.43 H new ATOM 0 HG13 ILE A 105 -27.085 1.757 6.066 1.00 33.43 H new ATOM 0 HG21 ILE A 105 -27.141 4.285 6.022 1.00 13.51 H new ATOM 0 HG22 ILE A 105 -25.611 5.194 5.997 1.00 13.51 H new ATOM 0 HG23 ILE A 105 -26.174 4.359 4.530 1.00 13.51 H new ATOM 0 HD11 ILE A 105 -26.847 0.830 3.814 1.00 11.11 H new ATOM 0 HD12 ILE A 105 -26.905 2.608 3.755 1.00 11.11 H new ATOM 0 HD13 ILE A 105 -25.350 1.762 3.575 1.00 11.11 H new ATOM 1588 N HIS A 106 -22.445 4.973 5.246 1.00 44.11 N ATOM 1589 CA HIS A 106 -21.677 6.127 5.698 1.00 34.34 C ATOM 1590 C HIS A 106 -22.344 7.429 5.264 1.00 52.02 C ATOM 1591 O HIS A 106 -22.136 8.478 5.874 1.00 2.51 O ATOM 1592 CB HIS A 106 -20.251 6.064 5.148 1.00 22.33 C ATOM 1593 CG HIS A 106 -19.276 6.904 5.915 1.00 1.11 C ATOM 1594 ND1 HIS A 106 -19.291 7.009 7.289 1.00 2.12 N ATOM 1595 CD2 HIS A 106 -18.250 7.678 5.490 1.00 44.21 C ATOM 1596 CE1 HIS A 106 -18.318 7.815 7.677 1.00 70.15 C ATOM 1597 NE2 HIS A 106 -17.672 8.234 6.604 1.00 4.01 N ATOM 0 H HIS A 106 -22.359 4.773 4.249 1.00 44.11 H new ATOM 0 HA HIS A 106 -21.641 6.103 6.787 1.00 34.34 H new ATOM 0 HB2 HIS A 106 -19.912 5.028 5.158 1.00 22.33 H new ATOM 0 HB3 HIS A 106 -20.257 6.388 4.107 1.00 22.33 H new ATOM 0 HD2 HIS A 106 -17.943 7.830 4.466 1.00 44.21 H new ATOM 0 HE1 HIS A 106 -18.090 8.085 8.698 1.00 70.15 H new ATOM 0 HE2 HIS A 106 -16.873 8.868 6.603 1.00 4.01 H new ATOM 1605 N ASP A 107 -23.146 7.352 4.208 1.00 2.53 N ATOM 1606 CA ASP A 107 -23.845 8.524 3.693 1.00 2.33 C ATOM 1607 C ASP A 107 -25.239 8.153 3.199 1.00 53.53 C ATOM 1608 O ASP A 107 -25.451 7.063 2.666 1.00 42.21 O ATOM 1609 CB ASP A 107 -23.043 9.166 2.560 1.00 13.01 C ATOM 1610 CG ASP A 107 -22.010 10.152 3.068 1.00 51.05 C ATOM 1611 OD1 ASP A 107 -20.947 9.704 3.545 1.00 40.31 O ATOM 1612 OD2 ASP A 107 -22.266 11.373 2.989 1.00 71.12 O1- ATOM 0 H ASP A 107 -23.328 6.491 3.692 1.00 2.53 H new ATOM 0 HA ASP A 107 -23.947 9.241 4.507 1.00 2.33 H new ATOM 0 HB2 ASP A 107 -22.544 8.386 1.985 1.00 13.01 H new ATOM 0 HB3 ASP A 107 -23.725 9.677 1.880 1.00 13.01 H new ATOM 1617 N VAL A 108 -26.190 9.064 3.380 1.00 40.23 N ATOM 1618 CA VAL A 108 -27.564 8.832 2.952 1.00 11.03 C ATOM 1619 C VAL A 108 -28.252 10.141 2.578 1.00 62.13 C ATOM 1620 O VAL A 108 -28.292 11.082 3.371 1.00 23.34 O ATOM 1621 CB VAL A 108 -28.383 8.131 4.052 1.00 20.20 C ATOM 1622 CG1 VAL A 108 -29.821 7.930 3.601 1.00 12.41 C ATOM 1623 CG2 VAL A 108 -27.742 6.803 4.427 1.00 33.40 C ATOM 0 H VAL A 108 -26.033 9.970 3.821 1.00 40.23 H new ATOM 0 HA VAL A 108 -27.518 8.186 2.075 1.00 11.03 H new ATOM 0 HB VAL A 108 -28.391 8.768 4.937 1.00 20.20 H new ATOM 0 HG11 VAL A 108 -30.384 7.433 4.391 1.00 12.41 H new ATOM 0 HG12 VAL A 108 -30.274 8.898 3.386 1.00 12.41 H new ATOM 0 HG13 VAL A 108 -29.838 7.314 2.702 1.00 12.41 H new ATOM 0 HG21 VAL A 108 -28.333 6.321 5.205 1.00 33.40 H new ATOM 0 HG22 VAL A 108 -27.702 6.158 3.549 1.00 33.40 H new ATOM 0 HG23 VAL A 108 -26.731 6.978 4.795 1.00 33.40 H new ATOM 1633 N LYS A 109 -28.792 10.192 1.366 1.00 73.05 N ATOM 1634 CA LYS A 109 -29.481 11.385 0.885 1.00 64.22 C ATOM 1635 C LYS A 109 -30.990 11.162 0.845 1.00 55.52 C ATOM 1636 O LYS A 109 -31.459 10.090 0.462 1.00 53.24 O ATOM 1637 CB LYS A 109 -28.974 11.765 -0.507 1.00 5.12 C ATOM 1638 CG LYS A 109 -27.776 12.698 -0.484 1.00 4.01 C ATOM 1639 CD LYS A 109 -28.203 14.156 -0.491 1.00 43.23 C ATOM 1640 CE LYS A 109 -28.441 14.675 0.919 1.00 25.43 C ATOM 1641 NZ LYS A 109 -28.193 16.140 1.020 1.00 11.23 N1+ ATOM 0 H LYS A 109 -28.766 9.422 0.698 1.00 73.05 H new ATOM 0 HA LYS A 109 -29.270 12.200 1.577 1.00 64.22 H new ATOM 0 HB2 LYS A 109 -28.706 10.857 -1.047 1.00 5.12 H new ATOM 0 HB3 LYS A 109 -29.783 12.240 -1.062 1.00 5.12 H new ATOM 0 HG2 LYS A 109 -27.175 12.498 0.403 1.00 4.01 H new ATOM 0 HG3 LYS A 109 -27.143 12.499 -1.349 1.00 4.01 H new ATOM 0 HD2 LYS A 109 -27.435 14.758 -0.977 1.00 43.23 H new ATOM 0 HD3 LYS A 109 -29.114 14.266 -1.079 1.00 43.23 H new ATOM 0 HE2 LYS A 109 -29.467 14.459 1.217 1.00 25.43 H new ATOM 0 HE3 LYS A 109 -27.789 14.147 1.615 1.00 25.43 H new ATOM 0 HZ1 LYS A 109 -28.366 16.455 1.996 1.00 11.23 H new ATOM 0 HZ2 LYS A 109 -27.207 16.344 0.760 1.00 11.23 H new ATOM 0 HZ3 LYS A 109 -28.833 16.646 0.375 1.00 11.23 H new ATOM 1655 N VAL A 110 -31.745 12.182 1.240 1.00 33.40 N ATOM 1656 CA VAL A 110 -33.200 12.098 1.247 1.00 62.24 C ATOM 1657 C VAL A 110 -33.829 13.444 0.903 1.00 62.33 C ATOM 1658 O VAL A 110 -33.581 14.447 1.572 1.00 72.31 O ATOM 1659 CB VAL A 110 -33.730 11.632 2.616 1.00 4.52 C ATOM 1660 CG1 VAL A 110 -33.217 12.539 3.724 1.00 44.34 C ATOM 1661 CG2 VAL A 110 -35.250 11.589 2.612 1.00 54.34 C ATOM 0 H VAL A 110 -31.373 13.076 1.559 1.00 33.40 H new ATOM 0 HA VAL A 110 -33.478 11.365 0.490 1.00 62.24 H new ATOM 0 HB VAL A 110 -33.361 10.624 2.805 1.00 4.52 H new ATOM 0 HG11 VAL A 110 -33.602 12.194 4.684 1.00 44.34 H new ATOM 0 HG12 VAL A 110 -32.127 12.514 3.740 1.00 44.34 H new ATOM 0 HG13 VAL A 110 -33.554 13.560 3.544 1.00 44.34 H new ATOM 0 HG21 VAL A 110 -35.607 11.258 3.587 1.00 54.34 H new ATOM 0 HG22 VAL A 110 -35.642 12.584 2.401 1.00 54.34 H new ATOM 0 HG23 VAL A 110 -35.592 10.894 1.845 1.00 54.34 H new ATOM 1671 N PHE A 111 -34.646 13.458 -0.146 1.00 31.14 N ATOM 1672 CA PHE A 111 -35.311 14.681 -0.580 1.00 61.30 C ATOM 1673 C PHE A 111 -36.815 14.601 -0.329 1.00 14.04 C ATOM 1674 O PHE A 111 -37.455 13.600 -0.646 1.00 54.20 O ATOM 1675 CB PHE A 111 -35.044 14.933 -2.065 1.00 25.34 C ATOM 1676 CG PHE A 111 -33.611 14.720 -2.461 1.00 21.54 C ATOM 1677 CD1 PHE A 111 -32.592 15.405 -1.817 1.00 61.01 C ATOM 1678 CD2 PHE A 111 -33.282 13.835 -3.474 1.00 34.24 C ATOM 1679 CE1 PHE A 111 -31.272 15.211 -2.180 1.00 62.23 C ATOM 1680 CE2 PHE A 111 -31.964 13.637 -3.841 1.00 44.30 C ATOM 1681 CZ PHE A 111 -30.957 14.326 -3.191 1.00 45.00 C ATOM 0 H PHE A 111 -34.863 12.637 -0.711 1.00 31.14 H new ATOM 0 HA PHE A 111 -34.906 15.510 0.001 1.00 61.30 H new ATOM 0 HB2 PHE A 111 -35.678 14.273 -2.657 1.00 25.34 H new ATOM 0 HB3 PHE A 111 -35.332 15.955 -2.309 1.00 25.34 H new ATOM 0 HD1 PHE A 111 -32.832 16.097 -1.024 1.00 61.01 H new ATOM 0 HD2 PHE A 111 -34.065 13.293 -3.984 1.00 34.24 H new ATOM 0 HE1 PHE A 111 -30.487 15.752 -1.672 1.00 62.23 H new ATOM 0 HE2 PHE A 111 -31.721 12.945 -4.634 1.00 44.30 H new ATOM 0 HZ PHE A 111 -29.926 14.172 -3.474 1.00 45.00 H new ATOM 1691 N ASN A 112 -37.370 15.664 0.243 1.00 50.25 N ATOM 1692 CA ASN A 112 -38.798 15.715 0.538 1.00 72.43 C ATOM 1693 C ASN A 112 -39.494 16.767 -0.320 1.00 13.34 C ATOM 1694 O ASN A 112 -39.028 17.900 -0.430 1.00 60.11 O ATOM 1695 CB ASN A 112 -39.023 16.019 2.021 1.00 64.11 C ATOM 1696 CG ASN A 112 -40.430 16.507 2.304 1.00 42.02 C ATOM 1697 OD1 ASN A 112 -40.625 17.539 2.946 1.00 74.51 O ATOM 1698 ND2 ASN A 112 -41.421 15.764 1.824 1.00 45.40 N ATOM 0 H ASN A 112 -36.854 16.502 0.512 1.00 50.25 H new ATOM 0 HA ASN A 112 -39.227 14.740 0.305 1.00 72.43 H new ATOM 0 HB2 ASN A 112 -38.828 15.121 2.607 1.00 64.11 H new ATOM 0 HB3 ASN A 112 -38.307 16.774 2.347 1.00 64.11 H new ATOM 0 HD21 ASN A 112 -42.390 16.042 1.982 1.00 45.40 H new ATOM 0 HD22 ASN A 112 -41.213 14.916 1.297 1.00 45.40 H new ATOM 1705 N ARG A 113 -40.612 16.382 -0.926 1.00 20.34 N ATOM 1706 CA ARG A 113 -41.373 17.291 -1.775 1.00 53.42 C ATOM 1707 C ARG A 113 -41.841 18.510 -0.985 1.00 54.43 C ATOM 1708 O ARG A 113 -41.835 19.630 -1.493 1.00 33.44 O ATOM 1709 CB ARG A 113 -42.578 16.570 -2.381 1.00 52.52 C ATOM 1710 CG ARG A 113 -43.555 16.038 -1.344 1.00 1.01 C ATOM 1711 CD ARG A 113 -44.684 15.254 -1.993 1.00 10.22 C ATOM 1712 NE ARG A 113 -45.557 16.110 -2.792 1.00 43.12 N ATOM 1713 CZ ARG A 113 -46.401 15.648 -3.708 1.00 21.52 C ATOM 1714 NH1 ARG A 113 -46.485 14.345 -3.939 1.00 31.21 N1+ ATOM 1715 NH2 ARG A 113 -47.162 16.490 -4.395 1.00 54.41 N ATOM 0 H ARG A 113 -41.011 15.447 -0.845 1.00 20.34 H new ATOM 0 HA ARG A 113 -40.719 17.629 -2.579 1.00 53.42 H new ATOM 0 HB2 ARG A 113 -43.104 17.255 -3.046 1.00 52.52 H new ATOM 0 HB3 ARG A 113 -42.224 15.741 -2.993 1.00 52.52 H new ATOM 0 HG2 ARG A 113 -43.025 15.398 -0.638 1.00 1.01 H new ATOM 0 HG3 ARG A 113 -43.969 16.869 -0.773 1.00 1.01 H new ATOM 0 HD2 ARG A 113 -44.265 14.472 -2.626 1.00 10.22 H new ATOM 0 HD3 ARG A 113 -45.271 14.758 -1.220 1.00 10.22 H new ATOM 0 HE ARG A 113 -45.516 17.118 -2.638 1.00 43.12 H new ATOM 0 HH11 ARG A 113 -45.901 13.695 -3.413 1.00 31.21 H new ATOM 0 HH12 ARG A 113 -47.134 13.993 -4.643 1.00 31.21 H new ATOM 0 HH21 ARG A 113 -47.099 17.493 -4.220 1.00 54.41 H new ATOM 0 HH22 ARG A 113 -47.810 16.134 -5.098 1.00 54.41 H new ATOM 1729 N GLU A 114 -42.246 18.281 0.261 1.00 1.14 N ATOM 1730 CA GLU A 114 -42.719 19.360 1.119 1.00 4.11 C ATOM 1731 C GLU A 114 -41.583 20.317 1.465 1.00 41.23 C ATOM 1732 O GLU A 114 -41.814 21.483 1.787 1.00 33.03 O ATOM 1733 CB GLU A 114 -43.330 18.791 2.403 1.00 54.33 C ATOM 1734 CG GLU A 114 -44.836 18.607 2.330 1.00 44.41 C ATOM 1735 CD GLU A 114 -45.588 19.923 2.370 1.00 52.21 C ATOM 1736 OE1 GLU A 114 -44.967 20.951 2.714 1.00 71.42 O ATOM 1737 OE2 GLU A 114 -46.796 19.926 2.057 1.00 73.01 O1- ATOM 0 H GLU A 114 -42.256 17.359 0.697 1.00 1.14 H new ATOM 0 HA GLU A 114 -43.485 19.913 0.575 1.00 4.11 H new ATOM 0 HB2 GLU A 114 -42.865 17.830 2.622 1.00 54.33 H new ATOM 0 HB3 GLU A 114 -43.093 19.456 3.234 1.00 54.33 H new ATOM 0 HG2 GLU A 114 -45.089 18.076 1.412 1.00 44.41 H new ATOM 0 HG3 GLU A 114 -45.162 17.981 3.161 1.00 44.41 H new ATOM 1744 N ASP A 115 -40.354 19.816 1.398 1.00 61.31 N ATOM 1745 CA ASP A 115 -39.180 20.626 1.704 1.00 32.24 C ATOM 1746 C ASP A 115 -38.894 21.615 0.577 1.00 43.43 C ATOM 1747 O ASP A 115 -38.098 22.540 0.737 1.00 43.12 O ATOM 1748 CB ASP A 115 -37.962 19.730 1.933 1.00 53.53 C ATOM 1749 CG ASP A 115 -36.809 20.474 2.579 1.00 13.43 C ATOM 1750 OD1 ASP A 115 -37.016 21.625 3.016 1.00 74.43 O ATOM 1751 OD2 ASP A 115 -35.700 19.905 2.647 1.00 32.32 O1- ATOM 0 H ASP A 115 -40.145 18.853 1.135 1.00 61.31 H new ATOM 0 HA ASP A 115 -39.384 21.189 2.615 1.00 32.24 H new ATOM 0 HB2 ASP A 115 -38.247 18.889 2.565 1.00 53.53 H new ATOM 0 HB3 ASP A 115 -37.635 19.316 0.979 1.00 53.53 H new ATOM 1756 N GLY A 116 -39.549 21.413 -0.561 1.00 54.51 N ATOM 1757 CA GLY A 116 -39.351 22.294 -1.698 1.00 23.20 C ATOM 1758 C GLY A 116 -38.566 21.633 -2.814 1.00 2.22 C ATOM 1759 O GLY A 116 -37.965 22.313 -3.647 1.00 55.14 O ATOM 0 H GLY A 116 -40.214 20.655 -0.717 1.00 54.51 H new ATOM 0 HA2 GLY A 116 -40.321 22.613 -2.080 1.00 23.20 H new ATOM 0 HA3 GLY A 116 -38.826 23.192 -1.371 1.00 23.20 H new ATOM 1763 N ASP A 117 -38.568 20.305 -2.830 1.00 71.14 N ATOM 1764 CA ASP A 117 -37.850 19.551 -3.852 1.00 22.33 C ATOM 1765 C ASP A 117 -38.814 18.991 -4.892 1.00 23.13 C ATOM 1766 O ASP A 117 -39.654 18.147 -4.582 1.00 55.15 O ATOM 1767 CB ASP A 117 -37.053 18.413 -3.211 1.00 15.40 C ATOM 1768 CG ASP A 117 -35.782 18.901 -2.545 1.00 11.35 C ATOM 1769 OD1 ASP A 117 -34.950 19.524 -3.237 1.00 73.13 O ATOM 1770 OD2 ASP A 117 -35.619 18.658 -1.331 1.00 42.23 O1- ATOM 0 H ASP A 117 -39.059 19.728 -2.147 1.00 71.14 H new ATOM 0 HA ASP A 117 -37.160 20.231 -4.352 1.00 22.33 H new ATOM 0 HB2 ASP A 117 -37.676 17.908 -2.473 1.00 15.40 H new ATOM 0 HB3 ASP A 117 -36.801 17.676 -3.973 1.00 15.40 H new ATOM 1775 N GLU A 118 -38.688 19.468 -6.126 1.00 12.24 N ATOM 1776 CA GLU A 118 -39.550 19.016 -7.212 1.00 23.12 C ATOM 1777 C GLU A 118 -39.237 17.570 -7.589 1.00 62.43 C ATOM 1778 O GLU A 118 -38.100 17.114 -7.456 1.00 43.24 O ATOM 1779 CB GLU A 118 -39.386 19.919 -8.435 1.00 34.24 C ATOM 1780 CG GLU A 118 -40.573 19.885 -9.382 1.00 62.21 C ATOM 1781 CD GLU A 118 -40.432 20.864 -10.531 1.00 42.54 C ATOM 1782 OE1 GLU A 118 -40.567 22.082 -10.294 1.00 52.30 O ATOM 1783 OE2 GLU A 118 -40.187 20.411 -11.669 1.00 0.43 O1- ATOM 0 H GLU A 118 -37.997 20.167 -6.399 1.00 12.24 H new ATOM 0 HA GLU A 118 -40.582 19.069 -6.867 1.00 23.12 H new ATOM 0 HB2 GLU A 118 -39.229 20.944 -8.100 1.00 34.24 H new ATOM 0 HB3 GLU A 118 -38.490 19.620 -8.979 1.00 34.24 H new ATOM 0 HG2 GLU A 118 -40.686 18.877 -9.781 1.00 62.21 H new ATOM 0 HG3 GLU A 118 -41.483 20.112 -8.826 1.00 62.21 H new ATOM 1790 N LEU A 119 -40.253 16.855 -8.059 1.00 53.45 N ATOM 1791 CA LEU A 119 -40.088 15.460 -8.455 1.00 44.14 C ATOM 1792 C LEU A 119 -40.930 15.140 -9.686 1.00 13.41 C ATOM 1793 O LEU A 119 -41.886 15.844 -10.014 1.00 3.34 O ATOM 1794 CB LEU A 119 -40.476 14.533 -7.302 1.00 54.15 C ATOM 1795 CG LEU A 119 -39.369 14.211 -6.297 1.00 4.14 C ATOM 1796 CD1 LEU A 119 -39.246 15.321 -5.265 1.00 75.22 C ATOM 1797 CD2 LEU A 119 -39.635 12.876 -5.619 1.00 64.10 C ATOM 0 H LEU A 119 -41.199 17.217 -8.175 1.00 53.45 H new ATOM 0 HA LEU A 119 -39.039 15.300 -8.704 1.00 44.14 H new ATOM 0 HB2 LEU A 119 -41.308 14.986 -6.763 1.00 54.15 H new ATOM 0 HB3 LEU A 119 -40.841 13.596 -7.723 1.00 54.15 H new ATOM 0 HG LEU A 119 -38.425 14.139 -6.837 1.00 4.14 H new ATOM 0 HD11 LEU A 119 -38.454 15.075 -4.558 1.00 75.22 H new ATOM 0 HD12 LEU A 119 -39.007 16.259 -5.766 1.00 75.22 H new ATOM 0 HD13 LEU A 119 -40.190 15.426 -4.730 1.00 75.22 H new ATOM 0 HD21 LEU A 119 -38.837 12.664 -4.908 1.00 64.10 H new ATOM 0 HD22 LEU A 119 -40.589 12.919 -5.093 1.00 64.10 H new ATOM 0 HD23 LEU A 119 -39.670 12.087 -6.370 1.00 64.10 H new ATOM 1809 N PRO A 120 -40.571 14.053 -10.384 1.00 20.10 N ATOM 1810 CA PRO A 120 -41.281 13.613 -11.587 1.00 0.40 C ATOM 1811 C PRO A 120 -42.672 13.072 -11.274 1.00 11.03 C ATOM 1812 O PRO A 120 -43.022 12.824 -10.120 1.00 42.43 O ATOM 1813 CB PRO A 120 -40.388 12.501 -12.142 1.00 45.01 C ATOM 1814 CG PRO A 120 -39.645 11.986 -10.958 1.00 75.10 C ATOM 1815 CD PRO A 120 -39.441 13.168 -10.051 1.00 64.30 C ATOM 0 HA PRO A 120 -41.445 14.434 -12.285 1.00 0.40 H new ATOM 0 HB2 PRO A 120 -40.980 11.715 -12.611 1.00 45.01 H new ATOM 0 HB3 PRO A 120 -39.706 12.883 -12.902 1.00 45.01 H new ATOM 0 HG2 PRO A 120 -40.209 11.201 -10.455 1.00 75.10 H new ATOM 0 HG3 PRO A 120 -38.690 11.552 -11.255 1.00 75.10 H new ATOM 0 HD2 PRO A 120 -39.455 12.876 -9.001 1.00 64.30 H new ATOM 0 HD3 PRO A 120 -38.483 13.654 -10.234 1.00 64.30 H new ATOM 1823 N PRO A 121 -43.485 12.884 -12.323 1.00 13.45 N ATOM 1824 CA PRO A 121 -44.851 12.368 -12.185 1.00 63.41 C ATOM 1825 C PRO A 121 -44.877 10.900 -11.776 1.00 74.12 C ATOM 1826 O PRO A 121 -44.370 10.037 -12.491 1.00 70.11 O ATOM 1827 CB PRO A 121 -45.440 12.543 -13.587 1.00 51.31 C ATOM 1828 CG PRO A 121 -44.262 12.529 -14.498 1.00 10.41 C ATOM 1829 CD PRO A 121 -43.135 13.159 -13.727 1.00 53.13 C ATOM 0 HA PRO A 121 -45.407 12.890 -11.406 1.00 63.41 H new ATOM 0 HB2 PRO A 121 -46.136 11.739 -13.827 1.00 51.31 H new ATOM 0 HB3 PRO A 121 -45.993 13.478 -13.670 1.00 51.31 H new ATOM 0 HG2 PRO A 121 -44.010 11.511 -14.795 1.00 10.41 H new ATOM 0 HG3 PRO A 121 -44.469 13.086 -15.412 1.00 10.41 H new ATOM 0 HD2 PRO A 121 -42.173 12.723 -13.994 1.00 53.13 H new ATOM 0 HD3 PRO A 121 -43.064 14.229 -13.921 1.00 53.13 H new ATOM 1837 N GLY A 122 -45.473 10.623 -10.620 1.00 43.21 N ATOM 1838 CA GLY A 122 -45.555 9.257 -10.136 1.00 45.50 C ATOM 1839 C GLY A 122 -44.762 9.044 -8.863 1.00 61.31 C ATOM 1840 O GLY A 122 -44.993 8.081 -8.131 1.00 64.21 O ATOM 0 H GLY A 122 -45.900 11.320 -10.010 1.00 43.21 H new ATOM 0 HA2 GLY A 122 -46.599 9.000 -9.957 1.00 45.50 H new ATOM 0 HA3 GLY A 122 -45.188 8.579 -10.907 1.00 45.50 H new ATOM 1844 N VAL A 123 -43.820 9.945 -8.596 1.00 20.12 N ATOM 1845 CA VAL A 123 -42.989 9.852 -7.402 1.00 30.11 C ATOM 1846 C VAL A 123 -43.451 10.836 -6.332 1.00 42.43 C ATOM 1847 O VAL A 123 -43.901 11.938 -6.642 1.00 35.02 O ATOM 1848 CB VAL A 123 -41.508 10.120 -7.727 1.00 72.33 C ATOM 1849 CG1 VAL A 123 -40.649 9.947 -6.484 1.00 14.23 C ATOM 1850 CG2 VAL A 123 -41.033 9.204 -8.846 1.00 34.10 C ATOM 0 H VAL A 123 -43.614 10.747 -9.191 1.00 20.12 H new ATOM 0 HA VAL A 123 -43.091 8.835 -7.023 1.00 30.11 H new ATOM 0 HB VAL A 123 -41.410 11.151 -8.067 1.00 72.33 H new ATOM 0 HG11 VAL A 123 -39.606 10.140 -6.733 1.00 14.23 H new ATOM 0 HG12 VAL A 123 -40.975 10.649 -5.716 1.00 14.23 H new ATOM 0 HG13 VAL A 123 -40.750 8.928 -6.111 1.00 14.23 H new ATOM 0 HG21 VAL A 123 -39.984 9.407 -9.062 1.00 34.10 H new ATOM 0 HG22 VAL A 123 -41.145 8.165 -8.538 1.00 34.10 H new ATOM 0 HG23 VAL A 123 -41.629 9.383 -9.741 1.00 34.10 H new ATOM 1860 N ASN A 124 -43.335 10.428 -5.073 1.00 33.12 N ATOM 1861 CA ASN A 124 -43.740 11.275 -3.956 1.00 53.53 C ATOM 1862 C ASN A 124 -42.545 11.621 -3.074 1.00 53.12 C ATOM 1863 O ASN A 124 -42.551 12.633 -2.374 1.00 73.13 O ATOM 1864 CB ASN A 124 -44.817 10.575 -3.124 1.00 43.21 C ATOM 1865 CG ASN A 124 -46.052 10.243 -3.938 1.00 42.43 C ATOM 1866 OD1 ASN A 124 -46.357 10.910 -4.927 1.00 73.31 O ATOM 1867 ND2 ASN A 124 -46.770 9.204 -3.527 1.00 3.04 N ATOM 0 H ASN A 124 -42.965 9.518 -4.800 1.00 33.12 H new ATOM 0 HA ASN A 124 -44.148 12.200 -4.363 1.00 53.53 H new ATOM 0 HB2 ASN A 124 -44.407 9.658 -2.701 1.00 43.21 H new ATOM 0 HB3 ASN A 124 -45.098 11.214 -2.287 1.00 43.21 H new ATOM 0 HD21 ASN A 124 -47.610 8.931 -4.037 1.00 3.04 H new ATOM 0 HD22 ASN A 124 -46.481 8.679 -2.702 1.00 3.04 H new ATOM 1874 N GLN A 125 -41.521 10.774 -3.115 1.00 42.31 N ATOM 1875 CA GLN A 125 -40.319 10.991 -2.319 1.00 61.22 C ATOM 1876 C GLN A 125 -39.092 10.414 -3.018 1.00 32.52 C ATOM 1877 O GLN A 125 -39.213 9.657 -3.982 1.00 3.53 O ATOM 1878 CB GLN A 125 -40.477 10.358 -0.936 1.00 74.32 C ATOM 1879 CG GLN A 125 -41.460 11.093 -0.039 1.00 12.52 C ATOM 1880 CD GLN A 125 -42.888 10.623 -0.232 1.00 12.21 C ATOM 1881 OE1 GLN A 125 -43.797 11.428 -0.438 1.00 35.21 O ATOM 1882 NE2 GLN A 125 -43.095 9.313 -0.163 1.00 13.11 N ATOM 0 H GLN A 125 -41.500 9.932 -3.690 1.00 42.31 H new ATOM 0 HA GLN A 125 -40.178 12.066 -2.205 1.00 61.22 H new ATOM 0 HB2 GLN A 125 -40.807 9.326 -1.054 1.00 74.32 H new ATOM 0 HB3 GLN A 125 -39.504 10.328 -0.446 1.00 74.32 H new ATOM 0 HG2 GLN A 125 -41.172 10.951 1.003 1.00 12.52 H new ATOM 0 HG3 GLN A 125 -41.403 12.162 -0.242 1.00 12.52 H new ATOM 0 HE21 GLN A 125 -42.313 8.681 0.009 1.00 13.11 H new ATOM 0 HE22 GLN A 125 -44.036 8.938 -0.283 1.00 13.11 H new ATOM 1891 N LEU A 126 -37.913 10.775 -2.527 1.00 13.13 N ATOM 1892 CA LEU A 126 -36.663 10.294 -3.103 1.00 42.24 C ATOM 1893 C LEU A 126 -35.600 10.108 -2.025 1.00 22.01 C ATOM 1894 O LEU A 126 -35.322 11.021 -1.248 1.00 4.43 O ATOM 1895 CB LEU A 126 -36.159 11.272 -4.167 1.00 14.10 C ATOM 1896 CG LEU A 126 -35.231 10.685 -5.231 1.00 62.41 C ATOM 1897 CD1 LEU A 126 -33.921 10.231 -4.606 1.00 34.22 C ATOM 1898 CD2 LEU A 126 -35.908 9.530 -5.953 1.00 54.24 C ATOM 0 H LEU A 126 -37.796 11.400 -1.730 1.00 13.13 H new ATOM 0 HA LEU A 126 -36.856 9.327 -3.567 1.00 42.24 H new ATOM 0 HB2 LEU A 126 -37.022 11.710 -4.668 1.00 14.10 H new ATOM 0 HB3 LEU A 126 -35.635 12.086 -3.665 1.00 14.10 H new ATOM 0 HG LEU A 126 -35.011 11.464 -5.961 1.00 62.41 H new ATOM 0 HD11 LEU A 126 -33.274 9.816 -5.379 1.00 34.22 H new ATOM 0 HD12 LEU A 126 -33.427 11.082 -4.137 1.00 34.22 H new ATOM 0 HD13 LEU A 126 -34.122 9.469 -3.853 1.00 34.22 H new ATOM 0 HD21 LEU A 126 -35.232 9.125 -6.706 1.00 54.24 H new ATOM 0 HD22 LEU A 126 -36.160 8.750 -5.235 1.00 54.24 H new ATOM 0 HD23 LEU A 126 -36.818 9.886 -6.436 1.00 54.24 H new ATOM 1910 N VAL A 127 -35.009 8.918 -1.983 1.00 20.53 N ATOM 1911 CA VAL A 127 -33.974 8.613 -1.002 1.00 45.13 C ATOM 1912 C VAL A 127 -32.940 7.649 -1.575 1.00 1.10 C ATOM 1913 O VAL A 127 -33.280 6.556 -2.028 1.00 14.25 O ATOM 1914 CB VAL A 127 -34.577 8.001 0.276 1.00 20.41 C ATOM 1915 CG1 VAL A 127 -35.401 6.767 -0.059 1.00 10.03 C ATOM 1916 CG2 VAL A 127 -33.479 7.663 1.274 1.00 54.52 C ATOM 0 H VAL A 127 -35.229 8.150 -2.617 1.00 20.53 H new ATOM 0 HA VAL A 127 -33.487 9.556 -0.751 1.00 45.13 H new ATOM 0 HB VAL A 127 -35.239 8.737 0.733 1.00 20.41 H new ATOM 0 HG11 VAL A 127 -35.819 6.349 0.857 1.00 10.03 H new ATOM 0 HG12 VAL A 127 -36.211 7.043 -0.734 1.00 10.03 H new ATOM 0 HG13 VAL A 127 -34.765 6.024 -0.540 1.00 10.03 H new ATOM 0 HG21 VAL A 127 -33.923 7.232 2.171 1.00 54.52 H new ATOM 0 HG22 VAL A 127 -32.791 6.945 0.828 1.00 54.52 H new ATOM 0 HG23 VAL A 127 -32.936 8.570 1.538 1.00 54.52 H new ATOM 1926 N ARG A 128 -31.678 8.062 -1.551 1.00 4.20 N ATOM 1927 CA ARG A 128 -30.594 7.237 -2.069 1.00 61.44 C ATOM 1928 C ARG A 128 -29.625 6.851 -0.956 1.00 20.05 C ATOM 1929 O ARG A 128 -29.198 7.697 -0.168 1.00 44.24 O ATOM 1930 CB ARG A 128 -29.845 7.977 -3.179 1.00 53.24 C ATOM 1931 CG ARG A 128 -30.746 8.470 -4.299 1.00 2.30 C ATOM 1932 CD ARG A 128 -30.063 9.541 -5.134 1.00 44.25 C ATOM 1933 NE ARG A 128 -29.111 8.971 -6.083 1.00 42.20 N ATOM 1934 CZ ARG A 128 -28.317 9.702 -6.858 1.00 12.20 C ATOM 1935 NH1 ARG A 128 -28.360 11.026 -6.794 1.00 23.30 N1+ ATOM 1936 NH2 ARG A 128 -27.477 9.109 -7.697 1.00 64.11 N ATOM 0 H ARG A 128 -31.381 8.964 -1.178 1.00 4.20 H new ATOM 0 HA ARG A 128 -31.030 6.326 -2.480 1.00 61.44 H new ATOM 0 HB2 ARG A 128 -29.320 8.828 -2.746 1.00 53.24 H new ATOM 0 HB3 ARG A 128 -29.088 7.315 -3.598 1.00 53.24 H new ATOM 0 HG2 ARG A 128 -31.025 7.632 -4.938 1.00 2.30 H new ATOM 0 HG3 ARG A 128 -31.668 8.870 -3.876 1.00 2.30 H new ATOM 0 HD2 ARG A 128 -30.816 10.113 -5.676 1.00 44.25 H new ATOM 0 HD3 ARG A 128 -29.545 10.238 -4.476 1.00 44.25 H new ATOM 0 HE ARG A 128 -29.052 7.955 -6.155 1.00 42.20 H new ATOM 0 HH11 ARG A 128 -29.003 11.485 -6.149 1.00 23.30 H new ATOM 0 HH12 ARG A 128 -27.750 11.585 -7.390 1.00 23.30 H new ATOM 0 HH21 ARG A 128 -27.440 8.091 -7.747 1.00 64.11 H new ATOM 0 HH22 ARG A 128 -26.868 9.671 -8.291 1.00 64.11 H new ATOM 1950 N VAL A 129 -29.280 5.569 -0.895 1.00 61.44 N ATOM 1951 CA VAL A 129 -28.360 5.071 0.120 1.00 71.52 C ATOM 1952 C VAL A 129 -26.961 4.880 -0.451 1.00 13.23 C ATOM 1953 O VAL A 129 -26.798 4.423 -1.584 1.00 34.03 O ATOM 1954 CB VAL A 129 -28.848 3.736 0.713 1.00 44.32 C ATOM 1955 CG1 VAL A 129 -27.716 3.031 1.444 1.00 3.32 C ATOM 1956 CG2 VAL A 129 -30.032 3.965 1.640 1.00 62.34 C ATOM 0 H VAL A 129 -29.624 4.856 -1.538 1.00 61.44 H new ATOM 0 HA VAL A 129 -28.326 5.821 0.911 1.00 71.52 H new ATOM 0 HB VAL A 129 -29.176 3.094 -0.105 1.00 44.32 H new ATOM 0 HG11 VAL A 129 -28.080 2.090 1.856 1.00 3.32 H new ATOM 0 HG12 VAL A 129 -26.902 2.832 0.747 1.00 3.32 H new ATOM 0 HG13 VAL A 129 -27.354 3.666 2.253 1.00 3.32 H new ATOM 0 HG21 VAL A 129 -30.363 3.011 2.050 1.00 62.34 H new ATOM 0 HG22 VAL A 129 -29.734 4.626 2.454 1.00 62.34 H new ATOM 0 HG23 VAL A 129 -30.848 4.423 1.081 1.00 62.34 H new ATOM 1966 N TYR A 130 -25.952 5.230 0.339 1.00 2.33 N ATOM 1967 CA TYR A 130 -24.564 5.099 -0.090 1.00 2.11 C ATOM 1968 C TYR A 130 -23.803 4.138 0.818 1.00 50.21 C ATOM 1969 O TYR A 130 -23.951 4.171 2.040 1.00 35.14 O ATOM 1970 CB TYR A 130 -23.877 6.466 -0.093 1.00 54.22 C ATOM 1971 CG TYR A 130 -24.433 7.420 -1.127 1.00 50.10 C ATOM 1972 CD1 TYR A 130 -25.706 7.960 -0.989 1.00 41.25 C ATOM 1973 CD2 TYR A 130 -23.687 7.781 -2.240 1.00 64.34 C ATOM 1974 CE1 TYR A 130 -26.219 8.830 -1.930 1.00 42.45 C ATOM 1975 CE2 TYR A 130 -24.190 8.652 -3.186 1.00 13.34 C ATOM 1976 CZ TYR A 130 -25.457 9.174 -3.027 1.00 23.14 C ATOM 1977 OH TYR A 130 -25.963 10.042 -3.968 1.00 43.15 O ATOM 0 H TYR A 130 -26.069 5.607 1.280 1.00 2.33 H new ATOM 0 HA TYR A 130 -24.560 4.696 -1.103 1.00 2.11 H new ATOM 0 HB2 TYR A 130 -23.976 6.916 0.895 1.00 54.22 H new ATOM 0 HB3 TYR A 130 -22.811 6.327 -0.274 1.00 54.22 H new ATOM 0 HD1 TYR A 130 -26.305 7.694 -0.130 1.00 41.25 H new ATOM 0 HD2 TYR A 130 -22.695 7.373 -2.369 1.00 64.34 H new ATOM 0 HE1 TYR A 130 -27.211 9.239 -1.808 1.00 42.45 H new ATOM 0 HE2 TYR A 130 -23.595 8.923 -4.046 1.00 13.34 H new ATOM 0 HH TYR A 130 -25.299 10.180 -4.676 1.00 43.15 H new ATOM 1987 N ILE A 131 -22.986 3.284 0.211 1.00 62.14 N ATOM 1988 CA ILE A 131 -22.199 2.314 0.964 1.00 14.52 C ATOM 1989 C ILE A 131 -20.745 2.311 0.504 1.00 32.22 C ATOM 1990 O ILE A 131 -20.424 1.806 -0.572 1.00 50.11 O ATOM 1991 CB ILE A 131 -22.773 0.892 0.822 1.00 53.44 C ATOM 1992 CG1 ILE A 131 -23.998 0.721 1.724 1.00 75.34 C ATOM 1993 CG2 ILE A 131 -21.711 -0.144 1.159 1.00 74.22 C ATOM 1994 CD1 ILE A 131 -25.295 0.579 0.959 1.00 41.20 C ATOM 0 H ILE A 131 -22.851 3.244 -0.799 1.00 62.14 H new ATOM 0 HA ILE A 131 -22.246 2.613 2.011 1.00 14.52 H new ATOM 0 HB ILE A 131 -23.083 0.742 -0.212 1.00 53.44 H new ATOM 0 HG12 ILE A 131 -23.857 -0.159 2.352 1.00 75.34 H new ATOM 0 HG13 ILE A 131 -24.071 1.580 2.391 1.00 75.34 H new ATOM 0 HG21 ILE A 131 -22.132 -1.144 1.054 1.00 74.22 H new ATOM 0 HG22 ILE A 131 -20.866 -0.033 0.480 1.00 74.22 H new ATOM 0 HG23 ILE A 131 -21.373 0.002 2.185 1.00 74.22 H new ATOM 0 HD11 ILE A 131 -26.121 0.462 1.661 1.00 41.20 H new ATOM 0 HD12 ILE A 131 -25.459 1.469 0.352 1.00 41.20 H new ATOM 0 HD13 ILE A 131 -25.242 -0.297 0.312 1.00 41.20 H new ATOM 2006 N VAL A 132 -19.868 2.876 1.327 1.00 41.23 N ATOM 2007 CA VAL A 132 -18.448 2.936 1.008 1.00 34.34 C ATOM 2008 C VAL A 132 -17.750 1.626 1.355 1.00 0.01 C ATOM 2009 O VAL A 132 -18.101 0.966 2.333 1.00 51.31 O ATOM 2010 CB VAL A 132 -17.752 4.089 1.756 1.00 61.21 C ATOM 2011 CG1 VAL A 132 -18.364 5.425 1.366 1.00 1.22 C ATOM 2012 CG2 VAL A 132 -17.834 3.874 3.260 1.00 73.24 C ATOM 0 H VAL A 132 -20.117 3.299 2.221 1.00 41.23 H new ATOM 0 HA VAL A 132 -18.373 3.111 -0.065 1.00 34.34 H new ATOM 0 HB VAL A 132 -16.700 4.102 1.471 1.00 61.21 H new ATOM 0 HG11 VAL A 132 -17.860 6.227 1.904 1.00 1.22 H new ATOM 0 HG12 VAL A 132 -18.248 5.579 0.293 1.00 1.22 H new ATOM 0 HG13 VAL A 132 -19.424 5.428 1.620 1.00 1.22 H new ATOM 0 HG21 VAL A 132 -17.337 4.698 3.773 1.00 73.24 H new ATOM 0 HG22 VAL A 132 -18.880 3.834 3.565 1.00 73.24 H new ATOM 0 HG23 VAL A 132 -17.344 2.936 3.521 1.00 73.24 H new ATOM 2022 N GLN A 133 -16.761 1.256 0.547 1.00 42.41 N ATOM 2023 CA GLN A 133 -16.015 0.024 0.770 1.00 12.41 C ATOM 2024 C GLN A 133 -14.718 0.301 1.524 1.00 54.20 C ATOM 2025 O GLN A 133 -13.855 1.038 1.047 1.00 2.20 O ATOM 2026 CB GLN A 133 -15.707 -0.659 -0.565 1.00 71.20 C ATOM 2027 CG GLN A 133 -16.828 -1.558 -1.061 1.00 14.21 C ATOM 2028 CD GLN A 133 -18.184 -0.881 -1.013 1.00 65.31 C ATOM 2029 OE1 GLN A 133 -18.749 -0.676 0.062 1.00 73.53 O ATOM 2030 NE2 GLN A 133 -18.712 -0.531 -2.180 1.00 12.32 N ATOM 0 H GLN A 133 -16.459 1.791 -0.267 1.00 42.41 H new ATOM 0 HA GLN A 133 -16.631 -0.640 1.377 1.00 12.41 H new ATOM 0 HB2 GLN A 133 -15.505 0.105 -1.316 1.00 71.20 H new ATOM 0 HB3 GLN A 133 -14.798 -1.251 -0.460 1.00 71.20 H new ATOM 0 HG2 GLN A 133 -16.616 -1.866 -2.085 1.00 14.21 H new ATOM 0 HG3 GLN A 133 -16.857 -2.464 -0.456 1.00 14.21 H new ATOM 0 HE21 GLN A 133 -18.207 -0.721 -3.046 1.00 12.32 H new ATOM 0 HE22 GLN A 133 -19.622 -0.072 -2.211 1.00 12.32 H new