USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 652 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 Single : A 7 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 120:sc= -0.869 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.248 (180deg=-0.354) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc=-0.00808 X(o=-0.0081,f=0) USER MOD Single : A 27 ASN : amide:sc= -7.39! C(o=-7.4!,f=-14!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.5) USER MOD Single : A 47 GLN : amide:sc= -7.81! C(o=-7.8!,f=-11!) USER MOD Single : A 48 TYR OH : rot 60:sc= -3.78! USER MOD Single : A 50 MET CE :methyl -108:sc= -0.374 (180deg=-1.16) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 61 HIS : no HD1:sc= -5.65! C(o=-5.7!,f=-5.9!) USER MOD Single : A 65 TYR OH : rot -165:sc= -1.25 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -163:sc= 0.257 USER MOD Single : A 77 MET CE :methyl -134:sc= -5.2 (180deg=-7.79!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.9 K(o=-0.9,f=-1.6) USER MOD Single : A 87 TYR OH : rot 121:sc= 0.0241 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.00261 K(o=0.0026,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -12.424 6.250 5.395 1.00 0.00 N ATOM 95 CA GLN A 7 -11.593 5.673 4.352 1.00 0.00 C ATOM 96 C GLN A 7 -11.029 6.775 3.452 1.00 0.00 C ATOM 97 O GLN A 7 -11.773 7.425 2.720 1.00 0.00 O ATOM 98 CB GLN A 7 -12.376 4.645 3.533 1.00 0.00 C ATOM 99 CG GLN A 7 -13.489 5.317 2.728 1.00 0.00 C ATOM 100 CD GLN A 7 -14.626 4.335 2.437 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.791 3.324 3.099 1.00 0.00 O ATOM 102 NE2 GLN A 7 -15.398 4.689 1.413 1.00 0.00 N ATOM 0 HA GLN A 7 -10.759 5.154 4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.699 4.121 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.805 3.896 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.876 6.173 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.085 5.699 1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.203 5.550 0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.185 4.100 1.140 1.00 0.00 H new ATOM 111 N PHE A 8 -9.718 6.951 3.537 1.00 0.00 N ATOM 112 CA PHE A 8 -9.046 7.963 2.741 1.00 0.00 C ATOM 113 C PHE A 8 -8.986 7.551 1.268 1.00 0.00 C ATOM 114 O PHE A 8 -9.054 6.366 0.948 1.00 0.00 O ATOM 115 CB PHE A 8 -7.620 8.085 3.282 1.00 0.00 C ATOM 116 CG PHE A 8 -6.659 7.021 2.748 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.102 5.754 2.525 1.00 0.00 C ATOM 118 CD2 PHE A 8 -5.362 7.342 2.496 1.00 0.00 C ATOM 119 CE1 PHE A 8 -6.210 4.767 2.029 1.00 0.00 C ATOM 120 CE2 PHE A 8 -4.470 6.354 2.000 1.00 0.00 C ATOM 121 CZ PHE A 8 -4.913 5.088 1.777 1.00 0.00 C ATOM 0 H PHE A 8 -9.104 6.409 4.145 1.00 0.00 H new ATOM 0 HA PHE A 8 -9.588 8.907 2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.230 9.071 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.648 8.021 4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.132 5.499 2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.010 8.348 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.562 3.761 1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.440 6.608 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.235 4.337 1.400 1.00 0.00 H new ATOM 131 N ILE A 9 -8.860 8.554 0.411 1.00 0.00 N ATOM 132 CA ILE A 9 -8.790 8.311 -1.020 1.00 0.00 C ATOM 133 C ILE A 9 -7.342 8.011 -1.412 1.00 0.00 C ATOM 134 O ILE A 9 -6.416 8.656 -0.922 1.00 0.00 O ATOM 135 CB ILE A 9 -9.407 9.479 -1.792 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.827 9.770 -1.303 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.361 9.224 -3.300 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.839 8.831 -1.964 1.00 0.00 C ATOM 0 H ILE A 9 -8.805 9.536 0.680 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.381 7.435 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.811 10.370 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.873 9.655 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.087 10.805 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.806 10.069 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.325 9.104 -3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.919 8.317 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.840 9.060 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.808 8.965 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.591 7.798 -1.720 1.00 0.00 H new ATOM 150 N PHE A 10 -7.192 7.032 -2.292 1.00 0.00 N ATOM 151 CA PHE A 10 -5.872 6.639 -2.755 1.00 0.00 C ATOM 152 C PHE A 10 -5.958 5.898 -4.091 1.00 0.00 C ATOM 153 O PHE A 10 -6.923 5.178 -4.345 1.00 0.00 O ATOM 154 CB PHE A 10 -5.290 5.696 -1.700 1.00 0.00 C ATOM 155 CG PHE A 10 -3.778 5.490 -1.817 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.954 6.562 -1.962 1.00 0.00 C ATOM 157 CD2 PHE A 10 -3.258 4.233 -1.774 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.551 6.370 -2.070 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.856 4.042 -1.882 1.00 0.00 C ATOM 160 CZ PHE A 10 -1.032 5.114 -2.028 1.00 0.00 C ATOM 0 H PHE A 10 -7.962 6.500 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.250 7.523 -2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.517 6.091 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.786 4.728 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.367 7.560 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.912 3.381 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.897 7.221 -2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.443 3.045 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.035 4.968 -2.111 1.00 0.00 H new ATOM 170 N LYS A 11 -4.937 6.101 -4.911 1.00 0.00 N ATOM 171 CA LYS A 11 -4.885 5.461 -6.214 1.00 0.00 C ATOM 172 C LYS A 11 -3.494 4.862 -6.429 1.00 0.00 C ATOM 173 O LYS A 11 -2.502 5.588 -6.474 1.00 0.00 O ATOM 174 CB LYS A 11 -5.308 6.442 -7.310 1.00 0.00 C ATOM 175 CG LYS A 11 -6.745 6.920 -7.093 1.00 0.00 C ATOM 176 CD LYS A 11 -7.714 6.180 -8.019 1.00 0.00 C ATOM 177 CE LYS A 11 -8.892 5.603 -7.231 1.00 0.00 C ATOM 178 NZ LYS A 11 -9.874 4.982 -8.148 1.00 0.00 N ATOM 0 H LYS A 11 -4.139 6.700 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.598 4.638 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.633 7.298 -7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.224 5.962 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.033 6.758 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.807 7.992 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.083 6.862 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.188 5.376 -8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.532 4.861 -6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.373 6.393 -6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.667 4.595 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.230 5.699 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.415 4.215 -8.680 1.00 0.00 H new ATOM 192 N VAL A 12 -3.465 3.544 -6.556 1.00 0.00 N ATOM 193 CA VAL A 12 -2.211 2.839 -6.765 1.00 0.00 C ATOM 194 C VAL A 12 -2.360 1.882 -7.949 1.00 0.00 C ATOM 195 O VAL A 12 -3.336 1.138 -8.031 1.00 0.00 O ATOM 196 CB VAL A 12 -1.787 2.133 -5.475 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.192 0.658 -5.499 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.283 2.285 -5.237 1.00 0.00 C ATOM 0 H VAL A 12 -4.290 2.945 -6.518 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.415 3.541 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.308 2.610 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.879 0.180 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.274 0.580 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.711 0.162 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.007 1.775 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.264 1.846 -6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.033 3.343 -5.155 1.00 0.00 H new ATOM 208 N THR A 13 -1.378 1.933 -8.837 1.00 0.00 N ATOM 209 CA THR A 13 -1.388 1.079 -10.013 1.00 0.00 C ATOM 210 C THR A 13 -1.414 -0.394 -9.602 1.00 0.00 C ATOM 211 O THR A 13 -1.220 -0.720 -8.432 1.00 0.00 O ATOM 212 CB THR A 13 -0.180 1.449 -10.875 1.00 0.00 C ATOM 213 OG1 THR A 13 0.837 1.768 -9.929 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.389 2.751 -11.650 1.00 0.00 C ATOM 0 H THR A 13 -0.570 2.552 -8.766 1.00 0.00 H new ATOM 0 HA THR A 13 -2.289 1.233 -10.607 1.00 0.00 H new ATOM 0 HB THR A 13 0.027 0.640 -11.575 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.600 1.165 -10.053 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.498 2.967 -12.245 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.251 2.648 -12.309 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.563 3.568 -10.949 1.00 0.00 H new ATOM 222 N ASP A 14 -1.655 -1.246 -10.588 1.00 0.00 N ATOM 223 CA ASP A 14 -1.709 -2.677 -10.344 1.00 0.00 C ATOM 224 C ASP A 14 -0.308 -3.183 -9.993 1.00 0.00 C ATOM 225 O ASP A 14 -0.163 -4.182 -9.289 1.00 0.00 O ATOM 226 CB ASP A 14 -2.186 -3.431 -11.588 1.00 0.00 C ATOM 227 CG ASP A 14 -3.652 -3.868 -11.556 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.034 -4.499 -10.547 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.357 -3.562 -12.542 1.00 0.00 O ATOM 0 H ASP A 14 -1.815 -0.972 -11.557 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.407 -2.853 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.030 -2.797 -12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.562 -4.315 -11.721 1.00 0.00 H new ATOM 234 N LYS A 15 0.688 -2.472 -10.500 1.00 0.00 N ATOM 235 CA LYS A 15 2.072 -2.836 -10.249 1.00 0.00 C ATOM 236 C LYS A 15 2.377 -2.666 -8.759 1.00 0.00 C ATOM 237 O LYS A 15 2.975 -3.545 -8.140 1.00 0.00 O ATOM 238 CB LYS A 15 3.009 -2.044 -11.163 1.00 0.00 C ATOM 239 CG LYS A 15 4.053 -2.960 -11.803 1.00 0.00 C ATOM 240 CD LYS A 15 5.158 -2.144 -12.479 1.00 0.00 C ATOM 241 CE LYS A 15 5.896 -2.982 -13.525 1.00 0.00 C ATOM 242 NZ LYS A 15 5.411 -2.658 -14.885 1.00 0.00 N ATOM 0 H LYS A 15 0.564 -1.645 -11.084 1.00 0.00 H new ATOM 0 HA LYS A 15 2.240 -3.885 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.430 -1.547 -11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.508 -1.263 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.488 -3.608 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.573 -3.607 -12.537 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.726 -1.262 -12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.864 -1.789 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.968 -2.794 -13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.746 -4.042 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.922 -3.236 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.393 -2.860 -14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.577 -1.650 -15.082 1.00 0.00 H new ATOM 256 N ALA A 16 1.953 -1.529 -8.227 1.00 0.00 N ATOM 257 CA ALA A 16 2.173 -1.233 -6.822 1.00 0.00 C ATOM 258 C ALA A 16 1.501 -2.309 -5.966 1.00 0.00 C ATOM 259 O ALA A 16 2.126 -2.875 -5.071 1.00 0.00 O ATOM 260 CB ALA A 16 1.652 0.171 -6.508 1.00 0.00 C ATOM 0 H ALA A 16 1.458 -0.802 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 16 3.238 -1.245 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.817 0.393 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.182 0.901 -7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.585 0.221 -6.726 1.00 0.00 H new ATOM 266 N VAL A 17 0.236 -2.558 -6.272 1.00 0.00 N ATOM 267 CA VAL A 17 -0.527 -3.556 -5.542 1.00 0.00 C ATOM 268 C VAL A 17 0.142 -4.923 -5.705 1.00 0.00 C ATOM 269 O VAL A 17 0.288 -5.666 -4.736 1.00 0.00 O ATOM 270 CB VAL A 17 -1.984 -3.544 -6.008 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.534 -4.967 -6.127 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.851 -2.698 -5.075 1.00 0.00 C ATOM 0 H VAL A 17 -0.279 -2.086 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.538 -3.325 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.015 -3.089 -6.998 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.571 -4.930 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.941 -5.527 -6.850 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.482 -5.459 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.882 -2.706 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.810 -3.110 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.480 -1.673 -5.063 1.00 0.00 H new ATOM 282 N GLU A 18 0.529 -5.213 -6.938 1.00 0.00 N ATOM 283 CA GLU A 18 1.179 -6.477 -7.241 1.00 0.00 C ATOM 284 C GLU A 18 2.456 -6.629 -6.412 1.00 0.00 C ATOM 285 O GLU A 18 2.739 -7.708 -5.894 1.00 0.00 O ATOM 286 CB GLU A 18 1.478 -6.596 -8.736 1.00 0.00 C ATOM 287 CG GLU A 18 0.432 -7.466 -9.437 1.00 0.00 C ATOM 288 CD GLU A 18 1.039 -8.190 -10.641 1.00 0.00 C ATOM 289 OE1 GLU A 18 1.901 -9.064 -10.402 1.00 0.00 O ATOM 290 OE2 GLU A 18 0.627 -7.854 -11.772 1.00 0.00 O ATOM 0 H GLU A 18 0.405 -4.594 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 18 0.498 -7.286 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.493 -5.604 -9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.469 -7.026 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.030 -8.196 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.402 -6.846 -9.764 1.00 0.00 H new ATOM 297 N GLU A 19 3.193 -5.533 -6.314 1.00 0.00 N ATOM 298 CA GLU A 19 4.434 -5.531 -5.557 1.00 0.00 C ATOM 299 C GLU A 19 4.191 -6.050 -4.139 1.00 0.00 C ATOM 300 O GLU A 19 5.094 -6.606 -3.514 1.00 0.00 O ATOM 301 CB GLU A 19 5.058 -4.134 -5.531 1.00 0.00 C ATOM 302 CG GLU A 19 6.386 -4.141 -4.772 1.00 0.00 C ATOM 303 CD GLU A 19 7.566 -4.289 -5.734 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.302 -4.324 -6.956 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.706 -4.364 -5.227 1.00 0.00 O ATOM 0 H GLU A 19 2.955 -4.640 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 19 5.140 -6.199 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.220 -3.785 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.369 -3.433 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.489 -3.217 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.394 -4.960 -4.053 1.00 0.00 H new ATOM 312 N ILE A 20 2.968 -5.849 -3.671 1.00 0.00 N ATOM 313 CA ILE A 20 2.595 -6.290 -2.337 1.00 0.00 C ATOM 314 C ILE A 20 2.295 -7.790 -2.366 1.00 0.00 C ATOM 315 O ILE A 20 2.607 -8.508 -1.417 1.00 0.00 O ATOM 316 CB ILE A 20 1.443 -5.442 -1.795 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.513 -4.012 -2.335 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.409 -5.477 -0.266 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.957 -3.505 -2.358 1.00 0.00 C ATOM 0 H ILE A 20 2.222 -5.387 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 20 3.422 -6.144 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 20 0.506 -5.873 -2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.096 -3.979 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.903 -3.355 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.581 -4.866 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.275 -6.505 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.347 -5.085 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.979 -2.487 -2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.363 -3.517 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.559 -4.150 -2.998 1.00 0.00 H new ATOM 331 N LYS A 21 1.691 -8.219 -3.465 1.00 0.00 N ATOM 332 CA LYS A 21 1.345 -9.620 -3.629 1.00 0.00 C ATOM 333 C LYS A 21 2.625 -10.442 -3.795 1.00 0.00 C ATOM 334 O LYS A 21 2.844 -11.409 -3.067 1.00 0.00 O ATOM 335 CB LYS A 21 0.349 -9.795 -4.778 1.00 0.00 C ATOM 336 CG LYS A 21 -1.051 -9.337 -4.365 1.00 0.00 C ATOM 337 CD LYS A 21 -1.552 -8.216 -5.276 1.00 0.00 C ATOM 338 CE LYS A 21 -1.980 -8.766 -6.638 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.447 -8.662 -6.802 1.00 0.00 N ATOM 0 H LYS A 21 1.433 -7.621 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 21 0.839 -9.994 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.682 -9.222 -5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.318 -10.842 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.740 -10.180 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.034 -8.990 -3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.393 -7.708 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.766 -7.473 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.479 -8.214 -7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.671 -9.807 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.740 -9.189 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.919 -9.062 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.715 -7.662 -6.906 1.00 0.00 H new ATOM 353 N LYS A 22 3.437 -10.026 -4.756 1.00 0.00 N ATOM 354 CA LYS A 22 4.689 -10.711 -5.026 1.00 0.00 C ATOM 355 C LYS A 22 5.521 -10.769 -3.743 1.00 0.00 C ATOM 356 O LYS A 22 6.191 -11.766 -3.478 1.00 0.00 O ATOM 357 CB LYS A 22 5.416 -10.055 -6.201 1.00 0.00 C ATOM 358 CG LYS A 22 5.478 -8.536 -6.028 1.00 0.00 C ATOM 359 CD LYS A 22 6.896 -8.014 -6.265 1.00 0.00 C ATOM 360 CE LYS A 22 7.914 -8.796 -5.433 1.00 0.00 C ATOM 361 NZ LYS A 22 9.045 -7.925 -5.043 1.00 0.00 N ATOM 0 H LYS A 22 3.252 -9.223 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 22 4.502 -11.740 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.426 -10.457 -6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.904 -10.298 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.790 -8.059 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.151 -8.267 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.146 -8.096 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.946 -6.956 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.432 -9.197 -4.541 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.283 -9.647 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.726 -8.472 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.515 -7.563 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.690 -7.127 -4.478 1.00 0.00 H new ATOM 375 N VAL A 23 5.451 -9.688 -2.981 1.00 0.00 N ATOM 376 CA VAL A 23 6.189 -9.603 -1.732 1.00 0.00 C ATOM 377 C VAL A 23 5.607 -10.605 -0.732 1.00 0.00 C ATOM 378 O VAL A 23 6.301 -11.517 -0.287 1.00 0.00 O ATOM 379 CB VAL A 23 6.176 -8.164 -1.213 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.528 -8.115 0.275 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.119 -7.278 -2.030 1.00 0.00 C ATOM 0 H VAL A 23 4.894 -8.863 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 23 7.235 -9.868 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 23 5.165 -7.774 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.512 -7.081 0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.800 -8.697 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.523 -8.532 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.091 -6.260 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.135 -7.666 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.804 -7.276 -3.073 1.00 0.00 H new ATOM 391 N ALA A 24 4.339 -10.400 -0.408 1.00 0.00 N ATOM 392 CA ALA A 24 3.656 -11.274 0.531 1.00 0.00 C ATOM 393 C ALA A 24 3.816 -12.726 0.078 1.00 0.00 C ATOM 394 O ALA A 24 4.213 -13.585 0.865 1.00 0.00 O ATOM 395 CB ALA A 24 2.188 -10.856 0.642 1.00 0.00 C ATOM 0 H ALA A 24 3.767 -9.642 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 24 4.096 -11.188 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.675 -11.511 1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.129 -9.826 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.713 -10.932 -0.336 1.00 0.00 H new ATOM 401 N GLN A 25 3.499 -12.957 -1.187 1.00 0.00 N ATOM 402 CA GLN A 25 3.603 -14.291 -1.754 1.00 0.00 C ATOM 403 C GLN A 25 4.956 -14.913 -1.402 1.00 0.00 C ATOM 404 O GLN A 25 5.041 -16.110 -1.132 1.00 0.00 O ATOM 405 CB GLN A 25 3.390 -14.262 -3.269 1.00 0.00 C ATOM 406 CG GLN A 25 1.910 -14.438 -3.618 1.00 0.00 C ATOM 407 CD GLN A 25 1.726 -14.686 -5.116 1.00 0.00 C ATOM 408 OE1 GLN A 25 2.124 -13.896 -5.956 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.103 -15.825 -5.403 1.00 0.00 N ATOM 0 H GLN A 25 3.170 -12.242 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 25 2.817 -14.910 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.753 -13.317 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.974 -15.054 -3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.497 -15.274 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.355 -13.548 -3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.796 -16.442 -4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.933 -16.082 -6.375 1.00 0.00 H new ATOM 418 N GLU A 26 5.980 -14.072 -1.418 1.00 0.00 N ATOM 419 CA GLU A 26 7.325 -14.525 -1.105 1.00 0.00 C ATOM 420 C GLU A 26 7.512 -14.622 0.411 1.00 0.00 C ATOM 421 O GLU A 26 8.385 -15.346 0.887 1.00 0.00 O ATOM 422 CB GLU A 26 8.373 -13.602 -1.729 1.00 0.00 C ATOM 423 CG GLU A 26 9.555 -14.405 -2.275 1.00 0.00 C ATOM 424 CD GLU A 26 10.692 -14.471 -1.254 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.264 -13.396 -0.971 1.00 0.00 O ATOM 426 OE2 GLU A 26 10.964 -15.595 -0.779 1.00 0.00 O ATOM 0 H GLU A 26 5.905 -13.080 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 26 7.463 -15.518 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.920 -13.023 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.726 -12.890 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.228 -15.414 -2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.915 -13.948 -3.197 1.00 0.00 H new ATOM 433 N ASN A 27 6.679 -13.881 1.127 1.00 0.00 N ATOM 434 CA ASN A 27 6.742 -13.874 2.578 1.00 0.00 C ATOM 435 C ASN A 27 5.718 -14.865 3.134 1.00 0.00 C ATOM 436 O ASN A 27 5.605 -15.032 4.347 1.00 0.00 O ATOM 437 CB ASN A 27 6.411 -12.489 3.137 1.00 0.00 C ATOM 438 CG ASN A 27 6.925 -11.386 2.210 1.00 0.00 C ATOM 439 OD1 ASN A 27 6.316 -10.341 2.049 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.076 -11.675 1.611 1.00 0.00 N ATOM 0 H ASN A 27 5.957 -13.281 0.729 1.00 0.00 H new ATOM 0 HA ASN A 27 7.755 -14.149 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.332 -12.391 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.857 -12.376 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.501 -11.003 0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.534 -12.569 1.790 1.00 0.00 H new ATOM 447 N ASN A 28 4.998 -15.498 2.219 1.00 0.00 N ATOM 448 CA ASN A 28 3.987 -16.469 2.602 1.00 0.00 C ATOM 449 C ASN A 28 2.919 -15.778 3.453 1.00 0.00 C ATOM 450 O ASN A 28 2.278 -16.414 4.287 1.00 0.00 O ATOM 451 CB ASN A 28 4.596 -17.599 3.434 1.00 0.00 C ATOM 452 CG ASN A 28 3.994 -18.951 3.046 1.00 0.00 C ATOM 453 OD1 ASN A 28 3.109 -19.477 3.701 1.00 0.00 O ATOM 454 ND2 ASN A 28 4.521 -19.483 1.947 1.00 0.00 N ATOM 0 H ASN A 28 5.095 -15.357 1.213 1.00 0.00 H new ATOM 0 HA ASN A 28 3.556 -16.884 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.676 -17.622 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.422 -17.410 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.186 -20.384 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.260 -18.990 1.445 1.00 0.00 H new ATOM 461 N ILE A 29 2.762 -14.485 3.211 1.00 0.00 N ATOM 462 CA ILE A 29 1.783 -13.700 3.945 1.00 0.00 C ATOM 463 C ILE A 29 0.536 -13.510 3.079 1.00 0.00 C ATOM 464 O ILE A 29 0.636 -13.376 1.861 1.00 0.00 O ATOM 465 CB ILE A 29 2.402 -12.387 4.429 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.636 -12.649 5.295 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.365 -11.527 5.154 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.301 -11.336 5.712 1.00 0.00 C ATOM 0 H ILE A 29 3.296 -13.961 2.517 1.00 0.00 H new ATOM 0 HA ILE A 29 1.469 -14.228 4.846 1.00 0.00 H new ATOM 0 HB ILE A 29 2.735 -11.824 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.349 -13.213 6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.348 -13.263 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.831 -10.600 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.544 -11.297 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.980 -12.071 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.175 -11.550 6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.608 -10.785 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.594 -10.736 6.284 1.00 0.00 H new ATOM 480 N GLU A 30 -0.611 -13.505 3.743 1.00 0.00 N ATOM 481 CA GLU A 30 -1.876 -13.334 3.049 1.00 0.00 C ATOM 482 C GLU A 30 -2.533 -12.015 3.461 1.00 0.00 C ATOM 483 O GLU A 30 -3.653 -11.719 3.047 1.00 0.00 O ATOM 484 CB GLU A 30 -2.810 -14.517 3.312 1.00 0.00 C ATOM 485 CG GLU A 30 -3.190 -15.215 2.005 1.00 0.00 C ATOM 486 CD GLU A 30 -3.591 -16.671 2.257 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.665 -17.489 2.444 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.813 -16.931 2.257 1.00 0.00 O ATOM 0 H GLU A 30 -0.690 -13.617 4.754 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.679 -13.300 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.324 -15.228 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.711 -14.169 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.015 -14.684 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.349 -15.180 1.312 1.00 0.00 H new ATOM 495 N ASN A 31 -1.809 -11.258 4.272 1.00 0.00 N ATOM 496 CA ASN A 31 -2.307 -9.977 4.745 1.00 0.00 C ATOM 497 C ASN A 31 -1.139 -8.998 4.877 1.00 0.00 C ATOM 498 O ASN A 31 -0.762 -8.621 5.986 1.00 0.00 O ATOM 499 CB ASN A 31 -2.965 -10.116 6.119 1.00 0.00 C ATOM 500 CG ASN A 31 -4.059 -9.063 6.312 1.00 0.00 C ATOM 501 OD1 ASN A 31 -3.940 -7.923 5.895 1.00 0.00 O ATOM 502 ND2 ASN A 31 -5.128 -9.508 6.966 1.00 0.00 N ATOM 0 H ASN A 31 -0.881 -11.507 4.614 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.043 -9.615 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.393 -11.113 6.222 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.212 -10.010 6.899 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.913 -8.882 7.146 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.163 -10.475 7.288 1.00 0.00 H new ATOM 509 N PRO A 32 -0.585 -8.602 3.700 1.00 0.00 N ATOM 510 CA PRO A 32 0.532 -7.674 3.673 1.00 0.00 C ATOM 511 C PRO A 32 0.067 -6.247 3.973 1.00 0.00 C ATOM 512 O PRO A 32 -0.834 -5.733 3.312 1.00 0.00 O ATOM 513 CB PRO A 32 1.135 -7.823 2.286 1.00 0.00 C ATOM 514 CG PRO A 32 0.062 -8.480 1.434 1.00 0.00 C ATOM 515 CD PRO A 32 -1.005 -9.027 2.368 1.00 0.00 C ATOM 0 HA PRO A 32 1.275 -7.889 4.441 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.419 -6.853 1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.038 -8.433 2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.371 -7.758 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.490 -9.282 0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.990 -8.632 2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.071 -10.113 2.301 1.00 0.00 H new ATOM 523 N ILE A 33 0.703 -5.649 4.969 1.00 0.00 N ATOM 524 CA ILE A 33 0.365 -4.292 5.364 1.00 0.00 C ATOM 525 C ILE A 33 1.462 -3.338 4.886 1.00 0.00 C ATOM 526 O ILE A 33 2.475 -3.163 5.560 1.00 0.00 O ATOM 527 CB ILE A 33 0.103 -4.222 6.870 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.234 -4.874 7.225 1.00 0.00 C ATOM 529 CG2 ILE A 33 0.189 -2.780 7.375 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.024 -6.275 7.805 1.00 0.00 C ATOM 0 H ILE A 33 1.450 -6.079 5.514 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.563 -3.976 4.887 1.00 0.00 H new ATOM 0 HB ILE A 33 0.883 -4.789 7.379 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.765 -4.253 7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.861 -4.935 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.001 -2.758 8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.184 -2.383 7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.555 -2.170 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.990 -6.716 8.049 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.514 -6.900 7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.417 -6.208 8.708 1.00 0.00 H new ATOM 542 N LEU A 34 1.222 -2.747 3.724 1.00 0.00 N ATOM 543 CA LEU A 34 2.176 -1.815 3.148 1.00 0.00 C ATOM 544 C LEU A 34 1.839 -0.396 3.608 1.00 0.00 C ATOM 545 O LEU A 34 0.792 0.144 3.252 1.00 0.00 O ATOM 546 CB LEU A 34 2.227 -1.973 1.627 1.00 0.00 C ATOM 547 CG LEU A 34 3.063 -3.141 1.101 1.00 0.00 C ATOM 548 CD1 LEU A 34 4.494 -2.696 0.793 1.00 0.00 C ATOM 549 CD2 LEU A 34 3.027 -4.322 2.073 1.00 0.00 C ATOM 0 H LEU A 34 0.381 -2.896 3.166 1.00 0.00 H new ATOM 0 HA LEU A 34 3.183 -2.034 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.207 -2.088 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.618 -1.050 1.199 1.00 0.00 H new ATOM 0 HG LEU A 34 2.623 -3.481 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.067 -3.545 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.476 -1.911 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.960 -2.314 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.629 -5.139 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.428 -4.012 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.998 -4.658 2.199 1.00 0.00 H new ATOM 561 N ARG A 35 2.745 0.169 4.391 1.00 0.00 N ATOM 562 CA ARG A 35 2.557 1.516 4.904 1.00 0.00 C ATOM 563 C ARG A 35 3.360 2.518 4.072 1.00 0.00 C ATOM 564 O ARG A 35 4.539 2.299 3.799 1.00 0.00 O ATOM 565 CB ARG A 35 2.992 1.614 6.367 1.00 0.00 C ATOM 566 CG ARG A 35 2.895 3.055 6.873 1.00 0.00 C ATOM 567 CD ARG A 35 4.178 3.470 7.597 1.00 0.00 C ATOM 568 NE ARG A 35 4.282 2.757 8.889 1.00 0.00 N ATOM 569 CZ ARG A 35 5.439 2.503 9.516 1.00 0.00 C ATOM 570 NH1 ARG A 35 6.597 2.903 8.973 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.438 1.850 10.686 1.00 0.00 N ATOM 0 H ARG A 35 3.612 -0.281 4.683 1.00 0.00 H new ATOM 0 HA ARG A 35 1.495 1.751 4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.365 0.967 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.017 1.257 6.470 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.713 3.727 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.045 3.150 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.045 3.244 6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.179 4.547 7.765 1.00 0.00 H new ATOM 0 HE ARG A 35 3.419 2.439 9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.598 3.401 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.478 2.710 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.557 1.546 11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.319 1.657 11.163 1.00 0.00 H new ATOM 585 N ILE A 36 2.690 3.596 3.692 1.00 0.00 N ATOM 586 CA ILE A 36 3.326 4.632 2.897 1.00 0.00 C ATOM 587 C ILE A 36 3.989 5.649 3.829 1.00 0.00 C ATOM 588 O ILE A 36 3.311 6.312 4.612 1.00 0.00 O ATOM 589 CB ILE A 36 2.322 5.252 1.923 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.971 4.274 0.800 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.838 6.587 1.381 1.00 0.00 C ATOM 592 CD1 ILE A 36 3.235 3.743 0.120 1.00 0.00 C ATOM 0 H ILE A 36 1.712 3.774 3.920 1.00 0.00 H new ATOM 0 HA ILE A 36 4.115 4.207 2.277 1.00 0.00 H new ATOM 0 HB ILE A 36 1.401 5.460 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.395 3.442 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.339 4.771 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.106 7.007 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.996 7.279 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.780 6.427 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.957 3.050 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.797 4.575 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.853 3.225 0.854 1.00 0.00 H new ATOM 604 N ARG A 37 5.305 5.740 3.712 1.00 0.00 N ATOM 605 CA ARG A 37 6.067 6.665 4.534 1.00 0.00 C ATOM 606 C ARG A 37 6.945 7.557 3.654 1.00 0.00 C ATOM 607 O ARG A 37 7.878 7.077 3.012 1.00 0.00 O ATOM 608 CB ARG A 37 6.952 5.915 5.532 1.00 0.00 C ATOM 609 CG ARG A 37 7.252 6.780 6.757 1.00 0.00 C ATOM 610 CD ARG A 37 7.434 5.917 8.007 1.00 0.00 C ATOM 611 NE ARG A 37 8.293 6.619 8.986 1.00 0.00 N ATOM 612 CZ ARG A 37 8.374 6.294 10.284 1.00 0.00 C ATOM 613 NH1 ARG A 37 7.647 5.277 10.766 1.00 0.00 N ATOM 614 NH2 ARG A 37 9.180 6.987 11.099 1.00 0.00 N ATOM 0 H ARG A 37 5.863 5.189 3.061 1.00 0.00 H new ATOM 0 HA ARG A 37 5.357 7.280 5.087 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.456 4.996 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.886 5.625 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.154 7.366 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.438 7.488 6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.464 5.699 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.883 4.961 7.737 1.00 0.00 H new ATOM 0 HE ARG A 37 8.859 7.399 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.032 4.750 10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.708 5.029 11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.732 7.762 10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.242 6.740 12.087 1.00 0.00 H new ATOM 628 N VAL A 38 6.616 8.840 3.653 1.00 0.00 N ATOM 629 CA VAL A 38 7.363 9.804 2.863 1.00 0.00 C ATOM 630 C VAL A 38 8.862 9.568 3.062 1.00 0.00 C ATOM 631 O VAL A 38 9.326 9.424 4.192 1.00 0.00 O ATOM 632 CB VAL A 38 6.928 11.226 3.224 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.687 12.260 2.389 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.416 11.394 3.063 1.00 0.00 C ATOM 0 H VAL A 38 5.842 9.235 4.187 1.00 0.00 H new ATOM 0 HA VAL A 38 7.152 9.674 1.802 1.00 0.00 H new ATOM 0 HB VAL A 38 7.174 11.396 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.359 13.262 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.757 12.164 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.486 12.091 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.133 12.413 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.136 11.195 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.900 10.694 3.720 1.00 0.00 H new ATOM 644 N VAL A 39 9.577 9.536 1.947 1.00 0.00 N ATOM 645 CA VAL A 39 11.013 9.320 1.985 1.00 0.00 C ATOM 646 C VAL A 39 11.715 10.461 1.245 1.00 0.00 C ATOM 647 O VAL A 39 12.084 10.316 0.081 1.00 0.00 O ATOM 648 CB VAL A 39 11.350 7.941 1.416 1.00 0.00 C ATOM 649 CG1 VAL A 39 12.863 7.763 1.270 1.00 0.00 C ATOM 650 CG2 VAL A 39 10.748 6.830 2.278 1.00 0.00 C ATOM 0 H VAL A 39 9.188 9.656 1.012 1.00 0.00 H new ATOM 0 HA VAL A 39 11.374 9.329 3.013 1.00 0.00 H new ATOM 0 HB VAL A 39 10.907 7.871 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.075 6.774 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.256 8.524 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.337 7.863 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.003 5.860 1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.148 6.897 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.664 6.940 2.308 1.00 0.00 H new ATOM 660 N PRO A 40 11.885 11.599 1.971 1.00 0.00 N ATOM 661 CA PRO A 40 12.536 12.763 1.396 1.00 0.00 C ATOM 662 C PRO A 40 14.049 12.555 1.304 1.00 0.00 C ATOM 663 O PRO A 40 14.802 13.079 2.124 1.00 0.00 O ATOM 664 CB PRO A 40 12.149 13.919 2.303 1.00 0.00 C ATOM 665 CG PRO A 40 11.683 13.288 3.606 1.00 0.00 C ATOM 666 CD PRO A 40 11.461 11.806 3.353 1.00 0.00 C ATOM 0 HA PRO A 40 12.222 12.957 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.996 14.584 2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.357 14.519 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.427 13.434 4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.762 13.759 3.950 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.044 11.195 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.415 11.533 3.492 1.00 0.00 H new ATOM 737 N GLN A 47 8.976 10.708 -3.117 1.00 0.00 N ATOM 738 CA GLN A 47 8.218 9.468 -3.095 1.00 0.00 C ATOM 739 C GLN A 47 8.574 8.651 -1.851 1.00 0.00 C ATOM 740 O GLN A 47 9.590 8.905 -1.207 1.00 0.00 O ATOM 741 CB GLN A 47 8.457 8.657 -4.370 1.00 0.00 C ATOM 742 CG GLN A 47 9.950 8.409 -4.591 1.00 0.00 C ATOM 743 CD GLN A 47 10.550 7.608 -3.433 1.00 0.00 C ATOM 744 OE1 GLN A 47 9.979 6.645 -2.948 1.00 0.00 O ATOM 745 NE2 GLN A 47 11.731 8.058 -3.018 1.00 0.00 N ATOM 0 HA GLN A 47 7.157 9.714 -3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.933 7.704 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.043 9.189 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.098 7.869 -5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.470 9.362 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.154 8.870 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 47 12.213 7.591 -2.250 1.00 0.00 H new ATOM 754 N TYR A 48 7.716 7.687 -1.550 1.00 0.00 N ATOM 755 CA TYR A 48 7.927 6.832 -0.395 1.00 0.00 C ATOM 756 C TYR A 48 8.080 5.369 -0.816 1.00 0.00 C ATOM 757 O TYR A 48 7.428 4.918 -1.757 1.00 0.00 O ATOM 758 CB TYR A 48 6.671 6.972 0.469 1.00 0.00 C ATOM 759 CG TYR A 48 5.402 7.288 -0.326 1.00 0.00 C ATOM 760 CD1 TYR A 48 4.861 6.338 -1.168 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.799 8.523 -0.199 1.00 0.00 C ATOM 762 CE1 TYR A 48 3.667 6.636 -1.916 1.00 0.00 C ATOM 763 CE2 TYR A 48 3.604 8.820 -0.947 1.00 0.00 C ATOM 764 CZ TYR A 48 3.097 7.862 -1.768 1.00 0.00 C ATOM 765 OH TYR A 48 1.969 8.143 -2.474 1.00 0.00 O ATOM 0 H TYR A 48 6.873 7.479 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 48 8.834 7.121 0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.519 6.046 1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.833 7.761 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.333 5.371 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.223 9.266 0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.234 5.902 -2.580 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.122 9.782 -0.858 1.00 0.00 H new ATOM 0 HH TYR A 48 1.264 7.508 -2.230 1.00 0.00 H new ATOM 775 N ALA A 49 8.947 4.668 -0.100 1.00 0.00 N ATOM 776 CA ALA A 49 9.194 3.265 -0.388 1.00 0.00 C ATOM 777 C ALA A 49 8.144 2.410 0.324 1.00 0.00 C ATOM 778 O ALA A 49 7.523 2.856 1.288 1.00 0.00 O ATOM 779 CB ALA A 49 10.621 2.902 0.029 1.00 0.00 C ATOM 0 H ALA A 49 9.487 5.045 0.679 1.00 0.00 H new ATOM 0 HA ALA A 49 9.107 3.072 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.807 1.850 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.330 3.517 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.744 3.081 1.097 1.00 0.00 H new ATOM 785 N MET A 50 7.977 1.195 -0.179 1.00 0.00 N ATOM 786 CA MET A 50 7.012 0.274 0.397 1.00 0.00 C ATOM 787 C MET A 50 7.710 -0.790 1.247 1.00 0.00 C ATOM 788 O MET A 50 8.903 -1.037 1.082 1.00 0.00 O ATOM 789 CB MET A 50 6.223 -0.406 -0.724 1.00 0.00 C ATOM 790 CG MET A 50 4.862 0.265 -0.921 1.00 0.00 C ATOM 791 SD MET A 50 4.171 -0.207 -2.498 1.00 0.00 S ATOM 792 CE MET A 50 2.514 0.430 -2.313 1.00 0.00 C ATOM 0 H MET A 50 8.493 0.828 -0.978 1.00 0.00 H new ATOM 0 HA MET A 50 6.336 0.840 1.038 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.792 -0.362 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.082 -1.460 -0.486 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.185 -0.024 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.971 1.348 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.818 -0.399 -2.185 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.469 1.080 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.242 0.999 -3.202 1.00 0.00 H new ATOM 802 N GLY A 51 6.936 -1.391 2.139 1.00 0.00 N ATOM 803 CA GLY A 51 7.464 -2.422 3.015 1.00 0.00 C ATOM 804 C GLY A 51 6.391 -2.920 3.985 1.00 0.00 C ATOM 805 O GLY A 51 5.636 -2.126 4.542 1.00 0.00 O ATOM 0 H GLY A 51 5.947 -1.183 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.835 -3.256 2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.312 -2.029 3.576 1.00 0.00 H new ATOM 809 N PHE A 52 6.358 -4.234 4.157 1.00 0.00 N ATOM 810 CA PHE A 52 5.390 -4.848 5.049 1.00 0.00 C ATOM 811 C PHE A 52 5.851 -4.756 6.505 1.00 0.00 C ATOM 812 O PHE A 52 6.993 -5.086 6.820 1.00 0.00 O ATOM 813 CB PHE A 52 5.287 -6.321 4.652 1.00 0.00 C ATOM 814 CG PHE A 52 6.625 -7.062 4.655 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.069 -7.660 5.793 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.372 -7.122 3.519 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.312 -8.348 5.795 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.615 -7.809 3.522 1.00 0.00 C ATOM 819 CZ PHE A 52 9.058 -8.407 4.660 1.00 0.00 C ATOM 0 H PHE A 52 6.987 -4.890 3.693 1.00 0.00 H new ATOM 0 HA PHE A 52 4.431 -4.336 4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.603 -6.824 5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.848 -6.388 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.477 -7.612 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.020 -6.647 2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.664 -8.824 6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.208 -7.856 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.003 -8.929 4.662 1.00 0.00 H new ATOM 829 N ASP A 53 4.939 -4.305 7.354 1.00 0.00 N ATOM 830 CA ASP A 53 5.238 -4.165 8.769 1.00 0.00 C ATOM 831 C ASP A 53 4.637 -5.347 9.532 1.00 0.00 C ATOM 832 O ASP A 53 3.941 -6.177 8.949 1.00 0.00 O ATOM 833 CB ASP A 53 4.632 -2.879 9.336 1.00 0.00 C ATOM 834 CG ASP A 53 5.513 -2.138 10.343 1.00 0.00 C ATOM 835 OD1 ASP A 53 6.627 -1.742 9.938 1.00 0.00 O ATOM 836 OD2 ASP A 53 5.052 -1.984 11.494 1.00 0.00 O ATOM 0 H ASP A 53 3.993 -4.032 7.089 1.00 0.00 H new ATOM 0 HA ASP A 53 6.322 -4.134 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.407 -2.206 8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.684 -3.123 9.816 1.00 0.00 H new ATOM 841 N ASP A 54 4.929 -5.386 10.824 1.00 0.00 N ATOM 842 CA ASP A 54 4.426 -6.453 11.673 1.00 0.00 C ATOM 843 C ASP A 54 2.898 -6.476 11.604 1.00 0.00 C ATOM 844 O ASP A 54 2.293 -7.542 11.496 1.00 0.00 O ATOM 845 CB ASP A 54 4.831 -6.233 13.132 1.00 0.00 C ATOM 846 CG ASP A 54 5.921 -7.174 13.649 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.313 -8.070 12.871 1.00 0.00 O ATOM 848 OD2 ASP A 54 6.337 -6.976 14.811 1.00 0.00 O ATOM 0 H ASP A 54 5.507 -4.696 11.303 1.00 0.00 H new ATOM 0 HA ASP A 54 4.849 -7.393 11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.175 -5.205 13.247 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.947 -6.346 13.760 1.00 0.00 H new ATOM 853 N THR A 55 2.316 -5.287 11.670 1.00 0.00 N ATOM 854 CA THR A 55 0.870 -5.157 11.617 1.00 0.00 C ATOM 855 C THR A 55 0.475 -3.709 11.323 1.00 0.00 C ATOM 856 O THR A 55 1.338 -2.850 11.144 1.00 0.00 O ATOM 857 CB THR A 55 0.299 -5.687 12.934 1.00 0.00 C ATOM 858 OG1 THR A 55 -1.104 -5.767 12.697 1.00 0.00 O ATOM 859 CG2 THR A 55 0.428 -4.678 14.076 1.00 0.00 C ATOM 0 H THR A 55 2.820 -4.405 11.760 1.00 0.00 H new ATOM 0 HA THR A 55 0.450 -5.747 10.803 1.00 0.00 H new ATOM 0 HB THR A 55 0.811 -6.610 13.206 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.553 -6.104 13.500 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.008 -5.104 14.987 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.480 -4.443 14.237 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.112 -3.767 13.819 1.00 0.00 H new ATOM 867 N VAL A 56 -0.830 -3.482 11.282 1.00 0.00 N ATOM 868 CA VAL A 56 -1.350 -2.152 11.012 1.00 0.00 C ATOM 869 C VAL A 56 -1.265 -1.308 12.285 1.00 0.00 C ATOM 870 O VAL A 56 -1.235 -1.847 13.391 1.00 0.00 O ATOM 871 CB VAL A 56 -2.771 -2.249 10.453 1.00 0.00 C ATOM 872 CG1 VAL A 56 -3.806 -2.207 11.578 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.032 -1.146 9.425 1.00 0.00 C ATOM 0 H VAL A 56 -1.543 -4.196 11.431 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.749 -1.654 10.251 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.867 -3.209 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.808 -2.278 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.640 -3.043 12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.709 -1.270 12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.049 -1.238 9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.908 -0.172 9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.325 -1.242 8.601 1.00 0.00 H new ATOM 883 N GLU A 57 -1.228 0.002 12.088 1.00 0.00 N ATOM 884 CA GLU A 57 -1.147 0.925 13.206 1.00 0.00 C ATOM 885 C GLU A 57 -2.535 1.154 13.807 1.00 0.00 C ATOM 886 O GLU A 57 -3.539 0.730 13.238 1.00 0.00 O ATOM 887 CB GLU A 57 -0.509 2.249 12.779 1.00 0.00 C ATOM 888 CG GLU A 57 0.684 2.009 11.852 1.00 0.00 C ATOM 889 CD GLU A 57 1.324 3.332 11.428 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.635 4.093 10.714 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.488 3.553 11.827 1.00 0.00 O ATOM 0 H GLU A 57 -1.253 0.446 11.170 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.510 0.483 13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.250 2.867 12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.184 2.801 13.661 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.424 1.389 12.359 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.358 1.459 10.969 1.00 0.00 H new ATOM 898 N GLU A 58 -2.547 1.825 14.950 1.00 0.00 N ATOM 899 CA GLU A 58 -3.795 2.115 15.635 1.00 0.00 C ATOM 900 C GLU A 58 -4.418 3.398 15.081 1.00 0.00 C ATOM 901 O GLU A 58 -5.232 4.035 15.747 1.00 0.00 O ATOM 902 CB GLU A 58 -3.581 2.217 17.146 1.00 0.00 C ATOM 903 CG GLU A 58 -4.520 1.272 17.898 1.00 0.00 C ATOM 904 CD GLU A 58 -3.748 0.098 18.502 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.994 -0.540 17.736 1.00 0.00 O ATOM 906 OE2 GLU A 58 -3.928 -0.136 19.717 1.00 0.00 O ATOM 0 H GLU A 58 -1.712 2.176 15.419 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.486 1.291 15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.546 1.975 17.387 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.753 3.243 17.473 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.035 1.818 18.688 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.285 0.897 17.218 1.00 0.00 H new ATOM 913 N GLY A 59 -4.011 3.740 13.867 1.00 0.00 N ATOM 914 CA GLY A 59 -4.519 4.936 13.216 1.00 0.00 C ATOM 915 C GLY A 59 -3.949 5.075 11.803 1.00 0.00 C ATOM 916 O GLY A 59 -3.367 6.104 11.463 1.00 0.00 O ATOM 0 H GLY A 59 -3.335 3.210 13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.607 4.895 13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.257 5.815 13.806 1.00 0.00 H new ATOM 920 N ASP A 60 -4.136 4.024 11.018 1.00 0.00 N ATOM 921 CA ASP A 60 -3.648 4.016 9.649 1.00 0.00 C ATOM 922 C ASP A 60 -4.827 3.829 8.693 1.00 0.00 C ATOM 923 O ASP A 60 -5.761 3.086 8.991 1.00 0.00 O ATOM 924 CB ASP A 60 -2.666 2.865 9.421 1.00 0.00 C ATOM 925 CG ASP A 60 -1.397 3.240 8.654 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.511 4.100 7.754 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.341 2.658 8.984 1.00 0.00 O ATOM 0 H ASP A 60 -4.619 3.172 11.304 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.141 4.963 9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.379 2.455 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.179 2.071 8.878 1.00 0.00 H new ATOM 932 N HIS A 61 -4.745 4.515 7.562 1.00 0.00 N ATOM 933 CA HIS A 61 -5.794 4.433 6.560 1.00 0.00 C ATOM 934 C HIS A 61 -5.858 3.011 5.999 1.00 0.00 C ATOM 935 O HIS A 61 -5.182 2.694 5.021 1.00 0.00 O ATOM 936 CB HIS A 61 -5.591 5.490 5.473 1.00 0.00 C ATOM 937 CG HIS A 61 -5.915 6.897 5.917 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.136 7.248 6.465 1.00 0.00 N ATOM 939 CD2 HIS A 61 -5.165 8.036 5.888 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.112 8.541 6.749 1.00 0.00 C ATOM 941 NE2 HIS A 61 -5.889 9.028 6.390 1.00 0.00 N ATOM 0 H HIS A 61 -3.969 5.130 7.318 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.758 4.649 7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.555 5.456 5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.214 5.238 4.615 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.153 8.117 5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.918 9.110 7.188 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.582 9.995 6.491 1.00 0.00 H new ATOM 949 N VAL A 62 -6.677 2.192 6.642 1.00 0.00 N ATOM 950 CA VAL A 62 -6.839 0.811 6.220 1.00 0.00 C ATOM 951 C VAL A 62 -7.701 0.766 4.957 1.00 0.00 C ATOM 952 O VAL A 62 -8.895 1.061 5.005 1.00 0.00 O ATOM 953 CB VAL A 62 -7.413 -0.023 7.366 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.921 -0.220 7.199 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.694 -1.369 7.479 1.00 0.00 C ATOM 0 H VAL A 62 -7.236 2.458 7.453 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.873 0.372 5.970 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.247 0.524 8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.304 -0.816 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.416 0.751 7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.119 -0.735 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.122 -1.942 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.814 -1.925 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.634 -1.200 7.667 1.00 0.00 H new ATOM 965 N PHE A 63 -7.064 0.395 3.856 1.00 0.00 N ATOM 966 CA PHE A 63 -7.758 0.307 2.583 1.00 0.00 C ATOM 967 C PHE A 63 -7.744 -1.126 2.047 1.00 0.00 C ATOM 968 O PHE A 63 -6.696 -1.770 2.016 1.00 0.00 O ATOM 969 CB PHE A 63 -7.010 1.213 1.602 1.00 0.00 C ATOM 970 CG PHE A 63 -7.919 2.143 0.797 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.964 2.766 1.404 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.682 2.347 -0.527 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.808 3.630 0.657 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.526 3.210 -1.275 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.571 3.834 -0.667 1.00 0.00 C ATOM 0 H PHE A 63 -6.074 0.152 3.820 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.798 0.610 2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.290 1.816 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.440 0.591 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.152 2.604 2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.852 1.853 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.638 4.125 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.338 3.371 -2.326 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.212 4.491 -1.235 1.00 0.00 H new ATOM 985 N GLU A 64 -8.918 -1.583 1.640 1.00 0.00 N ATOM 986 CA GLU A 64 -9.054 -2.929 1.107 1.00 0.00 C ATOM 987 C GLU A 64 -8.648 -2.959 -0.367 1.00 0.00 C ATOM 988 O GLU A 64 -9.136 -2.161 -1.166 1.00 0.00 O ATOM 989 CB GLU A 64 -10.479 -3.451 1.294 1.00 0.00 C ATOM 990 CG GLU A 64 -10.865 -3.475 2.775 1.00 0.00 C ATOM 991 CD GLU A 64 -12.353 -3.786 2.949 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.803 -4.775 2.331 1.00 0.00 O ATOM 993 OE2 GLU A 64 -13.007 -3.027 3.697 1.00 0.00 O ATOM 0 H GLU A 64 -9.785 -1.046 1.668 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.386 -3.588 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.176 -2.820 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.560 -4.455 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.270 -4.224 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.636 -2.511 3.230 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.758 -3.889 -0.684 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.281 -4.034 -2.049 1.00 0.00 C ATOM 1002 C TYR A 65 -7.520 -5.454 -2.565 1.00 0.00 C ATOM 1003 O TYR A 65 -8.286 -6.213 -1.973 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.775 -3.768 -2.000 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.374 -2.370 -2.473 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.271 -2.102 -3.823 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.116 -1.376 -1.551 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.894 -0.786 -4.269 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.739 -0.060 -1.997 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.646 0.170 -3.334 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.289 1.413 -3.755 1.00 0.00 O ATOM 0 H TYR A 65 -7.355 -4.549 -0.019 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.805 -3.347 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.425 -3.909 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.265 -4.509 -2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.473 -2.879 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.197 -1.585 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.810 -0.563 -5.322 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.535 0.727 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.916 1.919 -3.003 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.849 -5.771 -3.663 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.979 -7.087 -4.266 1.00 0.00 C ATOM 1023 C ASP A 66 -6.391 -8.136 -3.320 1.00 0.00 C ATOM 1024 O ASP A 66 -5.324 -8.689 -3.586 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.216 -7.164 -5.590 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.777 -8.165 -6.602 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -7.650 -8.960 -6.190 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.320 -8.114 -7.764 1.00 0.00 O ATOM 0 H ASP A 66 -6.214 -5.139 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.038 -7.272 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.209 -6.174 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.179 -7.425 -5.380 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.112 -8.379 -2.236 1.00 0.00 N ATOM 1034 CA GLY A 67 -6.675 -9.353 -1.249 1.00 0.00 C ATOM 1035 C GLY A 67 -5.415 -8.872 -0.526 1.00 0.00 C ATOM 1036 O GLY A 67 -4.513 -9.662 -0.251 1.00 0.00 O ATOM 0 H GLY A 67 -7.996 -7.919 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.471 -9.525 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.477 -10.307 -1.737 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.393 -7.579 -0.238 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.259 -6.984 0.448 1.00 0.00 C ATOM 1042 C VAL A 68 -4.740 -5.797 1.285 1.00 0.00 C ATOM 1043 O VAL A 68 -5.804 -5.239 1.023 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.177 -6.602 -0.564 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -1.974 -5.964 0.134 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.749 -7.815 -1.393 1.00 0.00 C ATOM 0 H VAL A 68 -6.143 -6.927 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.807 -7.702 1.132 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.601 -5.863 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.220 -5.702 -0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.294 -5.064 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.551 -6.671 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.979 -7.516 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.353 -8.586 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.610 -8.208 -1.934 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.933 -5.447 2.276 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.263 -4.337 3.153 1.00 0.00 C ATOM 1058 C LYS A 69 -3.215 -3.235 2.990 1.00 0.00 C ATOM 1059 O LYS A 69 -2.068 -3.397 3.405 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.425 -4.823 4.595 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.689 -4.241 5.231 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.633 -4.346 6.757 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.998 -4.735 7.329 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.876 -5.931 8.192 1.00 0.00 N ATOM 0 H LYS A 69 -3.051 -5.913 2.491 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.225 -3.906 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.473 -5.912 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.552 -4.533 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.800 -3.197 4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.565 -4.771 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.888 -5.087 7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.316 -3.393 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.408 -3.905 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.696 -4.935 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.811 -6.182 8.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.505 -6.726 7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.226 -5.727 8.978 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.645 -2.137 2.385 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.758 -1.008 2.162 1.00 0.00 C ATOM 1080 C VAL A 70 -3.056 0.080 3.195 1.00 0.00 C ATOM 1081 O VAL A 70 -4.199 0.243 3.620 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.890 -0.516 0.720 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -1.945 0.656 0.452 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.647 -1.655 -0.273 1.00 0.00 C ATOM 0 H VAL A 70 -4.597 -2.005 2.042 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.718 -1.307 2.295 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.911 -0.162 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.059 0.987 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.186 1.479 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.916 0.339 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.747 -1.278 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.643 -2.054 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.378 -2.446 -0.106 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.007 0.798 3.570 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.142 1.867 4.545 1.00 0.00 C ATOM 1096 C VAL A 71 -1.188 3.006 4.182 1.00 0.00 C ATOM 1097 O VAL A 71 -0.208 2.796 3.468 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.910 1.320 5.956 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.889 0.188 6.272 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.463 0.860 6.134 1.00 0.00 C ATOM 0 H VAL A 71 -1.060 0.660 3.216 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.154 2.273 4.529 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.093 2.128 6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.703 -0.183 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.911 0.562 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.752 -0.622 5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.325 0.476 7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.240 0.073 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.209 1.702 5.971 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.508 4.188 4.689 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.691 5.361 4.426 1.00 0.00 C ATOM 1112 C ILE A 72 -0.694 6.265 5.660 1.00 0.00 C ATOM 1113 O ILE A 72 -1.724 6.429 6.312 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.157 6.062 3.148 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.218 5.082 1.976 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.276 7.274 2.837 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -1.338 5.826 0.644 1.00 0.00 C ATOM 0 H ILE A 72 -2.321 4.359 5.280 1.00 0.00 H new ATOM 0 HA ILE A 72 0.344 5.073 4.244 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.169 6.432 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.322 4.461 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.069 4.413 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.628 7.755 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.327 7.983 3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.755 6.949 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.379 5.105 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.247 6.427 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.473 6.476 0.511 1.00 0.00 H new ATOM 1129 N ASP A 73 0.471 6.829 5.944 1.00 0.00 N ATOM 1130 CA ASP A 73 0.616 7.713 7.088 1.00 0.00 C ATOM 1131 C ASP A 73 -0.312 8.917 6.917 1.00 0.00 C ATOM 1132 O ASP A 73 -0.670 9.276 5.796 1.00 0.00 O ATOM 1133 CB ASP A 73 2.050 8.233 7.204 1.00 0.00 C ATOM 1134 CG ASP A 73 2.753 7.903 8.522 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.362 6.886 9.135 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.666 8.675 8.887 1.00 0.00 O ATOM 0 H ASP A 73 1.323 6.691 5.401 1.00 0.00 H new ATOM 0 HA ASP A 73 0.364 7.148 7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.637 7.821 6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.039 9.315 7.076 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.684 9.525 8.076 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.563 10.682 8.065 1.00 0.00 C ATOM 1143 C PRO A 74 -0.814 11.935 7.608 1.00 0.00 C ATOM 1144 O PRO A 74 -1.431 12.914 7.189 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.088 10.790 9.487 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.132 9.979 10.347 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.279 9.128 9.421 1.00 0.00 C ATOM 0 HA PRO A 74 -2.386 10.579 7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.121 11.829 9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.104 10.401 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.504 10.639 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.686 9.348 11.043 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.784 9.308 9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.451 8.065 9.589 1.00 0.00 H new ATOM 1155 N PHE A 75 0.506 11.865 7.704 1.00 0.00 N ATOM 1156 CA PHE A 75 1.346 12.982 7.305 1.00 0.00 C ATOM 1157 C PHE A 75 1.678 12.913 5.813 1.00 0.00 C ATOM 1158 O PHE A 75 1.894 13.942 5.174 1.00 0.00 O ATOM 1159 CB PHE A 75 2.643 12.876 8.110 1.00 0.00 C ATOM 1160 CG PHE A 75 2.443 12.956 9.625 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.136 14.145 10.209 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.573 11.837 10.387 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.951 14.218 11.615 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.389 11.911 11.793 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.081 13.100 12.377 1.00 0.00 C ATOM 0 H PHE A 75 1.014 11.052 8.052 1.00 0.00 H new ATOM 0 HA PHE A 75 0.828 13.923 7.491 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.133 11.933 7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.317 13.674 7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.033 15.033 9.604 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.816 10.893 9.923 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.707 15.162 12.079 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.494 11.023 12.399 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.940 13.156 13.446 1.00 0.00 H new ATOM 1175 N SER A 76 1.708 11.691 5.302 1.00 0.00 N ATOM 1176 CA SER A 76 2.010 11.475 3.897 1.00 0.00 C ATOM 1177 C SER A 76 0.720 11.498 3.075 1.00 0.00 C ATOM 1178 O SER A 76 0.758 11.668 1.858 1.00 0.00 O ATOM 1179 CB SER A 76 2.748 10.151 3.690 1.00 0.00 C ATOM 1180 OG SER A 76 1.964 9.033 4.100 1.00 0.00 O ATOM 0 H SER A 76 1.528 10.840 5.835 1.00 0.00 H new ATOM 0 HA SER A 76 2.662 12.280 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.011 10.043 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.682 10.165 4.252 1.00 0.00 H new ATOM 0 HG SER A 76 2.544 8.252 4.217 1.00 0.00 H new ATOM 1186 N MET A 77 -0.393 11.324 3.773 1.00 0.00 N ATOM 1187 CA MET A 77 -1.692 11.322 3.123 1.00 0.00 C ATOM 1188 C MET A 77 -1.910 12.613 2.331 1.00 0.00 C ATOM 1189 O MET A 77 -2.323 12.572 1.173 1.00 0.00 O ATOM 1190 CB MET A 77 -2.791 11.178 4.178 1.00 0.00 C ATOM 1191 CG MET A 77 -3.870 10.197 3.716 1.00 0.00 C ATOM 1192 SD MET A 77 -4.962 10.995 2.551 1.00 0.00 S ATOM 1193 CE MET A 77 -4.629 10.019 1.094 1.00 0.00 C ATOM 0 H MET A 77 -0.421 11.183 4.783 1.00 0.00 H new ATOM 0 HA MET A 77 -1.730 10.482 2.430 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.357 10.831 5.116 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.240 12.151 4.376 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.407 9.325 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.439 9.839 4.574 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.486 10.679 0.239 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.727 9.428 1.251 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.470 9.353 0.902 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.615 13.757 3.004 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.775 15.057 2.375 1.00 0.00 C ATOM 1205 C PRO A 78 -0.654 15.320 1.368 1.00 0.00 C ATOM 1206 O PRO A 78 -0.578 16.402 0.787 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.785 16.051 3.525 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.168 15.325 4.710 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.124 13.843 4.376 1.00 0.00 C ATOM 0 HA PRO A 78 -2.693 15.133 1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.213 16.944 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.801 16.376 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.165 15.702 4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.757 15.496 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.111 13.448 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.749 13.265 5.057 1.00 0.00 H new ATOM 1217 N TYR A 79 0.188 14.313 1.191 1.00 0.00 N ATOM 1218 CA TYR A 79 1.301 14.422 0.264 1.00 0.00 C ATOM 1219 C TYR A 79 1.026 13.632 -1.018 1.00 0.00 C ATOM 1220 O TYR A 79 1.843 13.631 -1.938 1.00 0.00 O ATOM 1221 CB TYR A 79 2.507 13.808 0.978 1.00 0.00 C ATOM 1222 CG TYR A 79 3.700 14.757 1.112 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.732 15.684 2.135 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.742 14.687 0.211 1.00 0.00 C ATOM 1225 CE1 TYR A 79 4.855 16.577 2.261 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.865 15.580 0.338 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.866 16.481 1.356 1.00 0.00 C ATOM 1228 OH TYR A 79 6.926 17.324 1.475 1.00 0.00 O ATOM 0 H TYR A 79 0.122 13.417 1.674 1.00 0.00 H new ATOM 0 HA TYR A 79 1.466 15.462 -0.016 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.201 13.483 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.823 12.917 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.916 15.739 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.716 13.963 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.894 17.307 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.688 15.535 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 79 7.572 17.141 0.761 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.126 12.978 -1.036 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.518 12.186 -2.189 1.00 0.00 C ATOM 1240 C VAL A 80 -2.032 11.967 -2.161 1.00 0.00 C ATOM 1241 O VAL A 80 -2.513 10.886 -2.497 1.00 0.00 O ATOM 1242 CB VAL A 80 0.274 10.878 -2.220 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.736 11.131 -2.594 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.170 10.142 -0.882 1.00 0.00 C ATOM 0 H VAL A 80 -0.800 12.980 -0.271 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.283 12.715 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.163 10.240 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.277 10.185 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.785 11.592 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.190 11.797 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.742 9.215 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.569 10.773 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.875 9.913 -0.673 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.742 13.011 -1.756 1.00 0.00 N ATOM 1255 CA ASN A 81 -4.191 12.946 -1.680 1.00 0.00 C ATOM 1256 C ASN A 81 -4.735 12.275 -2.942 1.00 0.00 C ATOM 1257 O ASN A 81 -4.638 12.829 -4.036 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.801 14.347 -1.590 1.00 0.00 C ATOM 1259 CG ASN A 81 -4.468 15.171 -2.835 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -3.334 15.552 -3.074 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -5.517 15.424 -3.612 1.00 0.00 N ATOM 0 H ASN A 81 -2.340 13.906 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.456 12.378 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.883 14.270 -1.479 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.425 14.855 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.399 15.967 -4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.440 15.075 -3.353 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.296 11.090 -2.749 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.855 10.336 -3.858 1.00 0.00 C ATOM 1270 C GLY A 82 -4.944 10.410 -5.086 1.00 0.00 C ATOM 1271 O GLY A 82 -5.411 10.293 -6.217 1.00 0.00 O ATOM 0 H GLY A 82 -5.375 10.633 -1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.990 9.295 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.841 10.727 -4.108 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.660 10.603 -4.819 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.680 10.693 -5.888 1.00 0.00 C ATOM 1277 C ALA A 83 -2.400 9.293 -6.437 1.00 0.00 C ATOM 1278 O ALA A 83 -2.864 8.299 -5.879 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.416 11.378 -5.364 1.00 0.00 C ATOM 0 H ALA A 83 -3.276 10.699 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.062 11.298 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.680 11.446 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.664 12.380 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.002 10.797 -4.540 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.642 9.258 -7.523 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.295 7.996 -8.154 1.00 0.00 C ATOM 1287 C GLU A 84 0.134 7.593 -7.783 1.00 0.00 C ATOM 1288 O GLU A 84 1.059 8.394 -7.901 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.465 8.077 -9.672 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.553 6.679 -10.289 1.00 0.00 C ATOM 1291 CD GLU A 84 -1.953 6.755 -11.764 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -1.036 6.945 -12.591 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -3.167 6.621 -12.030 1.00 0.00 O ATOM 0 H GLU A 84 -1.258 10.084 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.976 7.228 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.366 8.641 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.625 8.618 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.591 6.175 -10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.281 6.081 -9.741 1.00 0.00 H new ATOM 1300 N LEU A 85 0.268 6.351 -7.341 1.00 0.00 N ATOM 1301 CA LEU A 85 1.568 5.832 -6.952 1.00 0.00 C ATOM 1302 C LEU A 85 1.947 4.673 -7.876 1.00 0.00 C ATOM 1303 O LEU A 85 1.407 3.575 -7.755 1.00 0.00 O ATOM 1304 CB LEU A 85 1.575 5.462 -5.468 1.00 0.00 C ATOM 1305 CG LEU A 85 2.451 4.270 -5.077 1.00 0.00 C ATOM 1306 CD1 LEU A 85 3.912 4.513 -5.463 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.298 3.940 -3.591 1.00 0.00 C ATOM 0 H LEU A 85 -0.502 5.689 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 85 2.334 6.598 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.904 6.331 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.550 5.250 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 85 2.111 3.399 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.513 3.651 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.984 4.661 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.281 5.401 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.931 3.089 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.596 4.802 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.258 3.693 -3.378 1.00 0.00 H new ATOM 1319 N ASP A 86 2.874 4.957 -8.780 1.00 0.00 N ATOM 1320 CA ASP A 86 3.332 3.952 -9.724 1.00 0.00 C ATOM 1321 C ASP A 86 4.666 3.377 -9.244 1.00 0.00 C ATOM 1322 O ASP A 86 5.720 3.967 -9.476 1.00 0.00 O ATOM 1323 CB ASP A 86 3.551 4.560 -11.111 1.00 0.00 C ATOM 1324 CG ASP A 86 3.057 3.702 -12.278 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.490 2.531 -12.344 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.259 4.236 -13.078 1.00 0.00 O ATOM 0 H ASP A 86 3.320 5.869 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 86 2.570 3.175 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.048 5.526 -11.151 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.616 4.749 -11.244 1.00 0.00 H new ATOM 1331 N TYR A 87 4.576 2.232 -8.583 1.00 0.00 N ATOM 1332 CA TYR A 87 5.763 1.571 -8.068 1.00 0.00 C ATOM 1333 C TYR A 87 6.402 0.681 -9.136 1.00 0.00 C ATOM 1334 O TYR A 87 5.880 -0.387 -9.453 1.00 0.00 O ATOM 1335 CB TYR A 87 5.287 0.693 -6.909 1.00 0.00 C ATOM 1336 CG TYR A 87 6.418 0.151 -6.033 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.206 -0.886 -6.487 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.651 0.701 -4.788 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.271 -1.396 -5.663 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.716 0.191 -3.964 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.473 -0.832 -4.442 1.00 0.00 C ATOM 1342 OH TYR A 87 9.479 -1.314 -3.664 1.00 0.00 O ATOM 0 H TYR A 87 3.700 1.746 -8.392 1.00 0.00 H new ATOM 0 HA TYR A 87 6.507 2.305 -7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.604 1.270 -6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.719 -0.146 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 87 7.024 -1.316 -7.461 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.035 1.513 -4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.895 -2.208 -6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.909 0.612 -2.988 1.00 0.00 H new ATOM 0 HH TYR A 87 10.114 -0.594 -3.467 1.00 0.00 H new ATOM 1352 N VAL A 88 7.522 1.154 -9.663 1.00 0.00 N ATOM 1353 CA VAL A 88 8.237 0.415 -10.689 1.00 0.00 C ATOM 1354 C VAL A 88 8.832 -0.854 -10.076 1.00 0.00 C ATOM 1355 O VAL A 88 9.180 -0.874 -8.896 1.00 0.00 O ATOM 1356 CB VAL A 88 9.289 1.313 -11.343 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.135 0.526 -12.345 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.637 2.526 -12.009 1.00 0.00 C ATOM 0 H VAL A 88 7.952 2.040 -9.398 1.00 0.00 H new ATOM 0 HA VAL A 88 7.556 0.105 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 88 9.952 1.678 -10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.875 1.188 -12.795 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.643 -0.290 -11.831 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.491 0.118 -13.124 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.407 3.148 -12.466 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.940 2.189 -12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.099 3.107 -11.260 1.00 0.00 H new ATOM 1447 N GLY A 95 11.433 0.827 -8.544 1.00 0.00 N ATOM 1448 CA GLY A 95 11.588 2.271 -8.484 1.00 0.00 C ATOM 1449 C GLY A 95 10.301 2.941 -7.997 1.00 0.00 C ATOM 1450 O GLY A 95 9.230 2.719 -8.560 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.410 2.525 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.851 2.653 -9.470 1.00 0.00 H new ATOM 1454 N PHE A 96 10.449 3.747 -6.957 1.00 0.00 N ATOM 1455 CA PHE A 96 9.313 4.451 -6.388 1.00 0.00 C ATOM 1456 C PHE A 96 8.985 5.708 -7.196 1.00 0.00 C ATOM 1457 O PHE A 96 9.803 6.623 -7.287 1.00 0.00 O ATOM 1458 CB PHE A 96 9.706 4.861 -4.967 1.00 0.00 C ATOM 1459 CG PHE A 96 10.633 3.866 -4.266 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.110 2.805 -3.597 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.981 4.044 -4.313 1.00 0.00 C ATOM 1462 CE1 PHE A 96 10.971 1.881 -2.946 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.842 3.121 -3.663 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.318 2.059 -2.993 1.00 0.00 C ATOM 0 H PHE A 96 11.339 3.928 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 96 8.434 3.806 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.195 5.834 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.801 4.981 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.040 2.664 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 96 12.396 4.887 -4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.556 1.038 -2.414 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.912 3.262 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 96 12.973 1.357 -2.498 1.00 0.00 H new ATOM 1474 N THR A 97 7.788 5.713 -7.764 1.00 0.00 N ATOM 1475 CA THR A 97 7.342 6.842 -8.562 1.00 0.00 C ATOM 1476 C THR A 97 5.909 7.226 -8.190 1.00 0.00 C ATOM 1477 O THR A 97 5.002 6.399 -8.265 1.00 0.00 O ATOM 1478 CB THR A 97 7.509 6.473 -10.038 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.914 6.556 -10.260 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.920 7.529 -10.975 1.00 0.00 C ATOM 0 H THR A 97 7.113 4.952 -7.687 1.00 0.00 H new ATOM 0 HA THR A 97 7.944 7.729 -8.363 1.00 0.00 H new ATOM 0 HB THR A 97 7.031 5.512 -10.228 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.112 6.330 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.065 7.219 -12.010 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.854 7.639 -10.775 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.421 8.483 -10.809 1.00 0.00 H new ATOM 1488 N ILE A 98 5.750 8.481 -7.796 1.00 0.00 N ATOM 1489 CA ILE A 98 4.443 8.985 -7.411 1.00 0.00 C ATOM 1490 C ILE A 98 4.095 10.199 -8.275 1.00 0.00 C ATOM 1491 O ILE A 98 4.852 11.167 -8.325 1.00 0.00 O ATOM 1492 CB ILE A 98 4.397 9.266 -5.908 1.00 0.00 C ATOM 1493 CG1 ILE A 98 3.015 8.951 -5.332 1.00 0.00 C ATOM 1494 CG2 ILE A 98 4.831 10.701 -5.605 1.00 0.00 C ATOM 1495 CD1 ILE A 98 1.990 10.002 -5.763 1.00 0.00 C ATOM 0 H ILE A 98 6.505 9.164 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 98 3.676 8.232 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 98 5.109 8.604 -5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 98 2.693 7.965 -5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.070 8.916 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.789 10.874 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.851 10.855 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.163 11.398 -6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.016 9.755 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.303 10.983 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.920 10.018 -6.851 1.00 0.00 H new ATOM 1507 N ARG A 99 2.948 10.108 -8.932 1.00 0.00 N ATOM 1508 CA ARG A 99 2.490 11.188 -9.790 1.00 0.00 C ATOM 1509 C ARG A 99 1.207 11.804 -9.230 1.00 0.00 C ATOM 1510 O ARG A 99 0.146 11.182 -9.270 1.00 0.00 O ATOM 1511 CB ARG A 99 2.229 10.687 -11.212 1.00 0.00 C ATOM 1512 CG ARG A 99 3.407 11.010 -12.133 1.00 0.00 C ATOM 1513 CD ARG A 99 3.120 12.254 -12.976 1.00 0.00 C ATOM 1514 NE ARG A 99 4.218 12.476 -13.943 1.00 0.00 N ATOM 1515 CZ ARG A 99 5.404 13.010 -13.622 1.00 0.00 C ATOM 1516 NH1 ARG A 99 5.653 13.381 -12.358 1.00 0.00 N ATOM 1517 NH2 ARG A 99 6.343 13.174 -14.565 1.00 0.00 N ATOM 0 H ARG A 99 2.322 9.304 -8.888 1.00 0.00 H new ATOM 0 HA ARG A 99 3.275 11.943 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.060 9.610 -11.197 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.321 11.147 -11.602 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.306 11.170 -11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.605 10.161 -12.787 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.176 12.133 -13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.013 13.125 -12.329 1.00 0.00 H new ATOM 0 HE ARG A 99 4.062 12.206 -14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.939 13.257 -11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.556 13.787 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.154 12.892 -15.527 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.246 13.581 -14.320 1.00 0.00 H new ATOM 1531 N ASN A 100 1.346 13.019 -8.720 1.00 0.00 N ATOM 1532 CA ASN A 100 0.210 13.726 -8.152 1.00 0.00 C ATOM 1533 C ASN A 100 -0.151 14.909 -9.053 1.00 0.00 C ATOM 1534 O ASN A 100 0.728 15.643 -9.502 1.00 0.00 O ATOM 1535 CB ASN A 100 0.542 14.275 -6.763 1.00 0.00 C ATOM 1536 CG ASN A 100 1.774 15.181 -6.811 1.00 0.00 C ATOM 1537 OD1 ASN A 100 2.891 14.742 -7.026 1.00 0.00 O ATOM 1538 ND2 ASN A 100 1.508 16.467 -6.598 1.00 0.00 N ATOM 0 H ASN A 100 2.227 13.532 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.620 13.024 -8.074 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.310 14.834 -6.376 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.720 13.449 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.263 17.153 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.549 16.767 -6.424 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.480 15.061 -9.297 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.968 16.141 -10.137 1.00 0.00 C ATOM 1547 C PRO A 101 -1.917 17.478 -9.394 1.00 0.00 C ATOM 1548 O PRO A 101 -2.734 17.734 -8.511 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.380 15.731 -10.525 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.797 14.670 -9.519 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.549 14.210 -8.783 1.00 0.00 C ATOM 0 HA PRO A 101 -1.354 16.294 -11.025 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.057 16.585 -10.495 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.407 15.338 -11.541 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.527 15.075 -8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.273 13.830 -10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.661 14.323 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.343 13.157 -8.973 1.00 0.00 H new