USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 49 HIS : no HE2:sc= -3.87 K(o=-5.2,f=-3.6!) USER MOD Set 1.2: A 50 ASN : amide:sc= -1.34 K(o=-5.2,f=-4.5!) USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= -0.518 (180deg=-0.627) USER MOD Single : A 18 TYR OH : rot 93:sc= 0.172 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 36:sc= 0.249 USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= -2.77! (180deg=-2.83!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 41 SER OG : rot -21:sc= 0.456 USER MOD Single : A 58 HIS : no HD1:sc= -1.62! C(o=-1.6!,f=-6.6!) USER MOD Single : A 59 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.22) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.615 11.593 1.141 1.00 0.00 N ATOM 82 CA PRO A 9 -0.366 10.177 0.854 1.00 0.00 C ATOM 83 C PRO A 9 -0.818 9.781 -0.547 1.00 0.00 C ATOM 84 O PRO A 9 -1.370 10.598 -1.285 1.00 0.00 O ATOM 85 CB PRO A 9 -1.202 9.449 1.911 1.00 0.00 C ATOM 86 CG PRO A 9 -2.286 10.408 2.262 1.00 0.00 C ATOM 87 CD PRO A 9 -1.683 11.780 2.137 1.00 0.00 C ATOM 0 HA PRO A 9 0.696 9.935 0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.609 8.517 1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.601 9.193 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.139 10.294 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.649 10.232 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.418 12.513 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.287 12.133 3.089 1.00 0.00 H new ATOM 95 N ILE A 10 -0.580 8.524 -0.908 1.00 0.00 N ATOM 96 CA ILE A 10 -0.964 8.021 -2.221 1.00 0.00 C ATOM 97 C ILE A 10 -1.992 6.901 -2.101 1.00 0.00 C ATOM 98 O ILE A 10 -1.744 5.886 -1.451 1.00 0.00 O ATOM 99 CB ILE A 10 0.256 7.502 -3.003 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.373 8.548 -3.003 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.141 7.144 -4.428 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.712 8.003 -3.449 1.00 0.00 C ATOM 0 H ILE A 10 -0.123 7.836 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.404 8.858 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 10 0.627 6.602 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.089 9.371 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.474 8.960 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.732 6.779 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.906 6.368 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.534 8.029 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.456 8.800 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.019 7.199 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.628 7.617 -4.465 1.00 0.00 H new ATOM 114 N GLU A 11 -3.145 7.093 -2.733 1.00 0.00 N ATOM 115 CA GLU A 11 -4.210 6.097 -2.698 1.00 0.00 C ATOM 116 C GLU A 11 -3.904 4.940 -3.644 1.00 0.00 C ATOM 117 O GLU A 11 -3.941 5.095 -4.864 1.00 0.00 O ATOM 118 CB GLU A 11 -5.548 6.736 -3.072 1.00 0.00 C ATOM 119 CG GLU A 11 -6.266 7.379 -1.897 1.00 0.00 C ATOM 120 CD GLU A 11 -7.180 8.512 -2.321 1.00 0.00 C ATOM 121 OE1 GLU A 11 -6.692 9.453 -2.982 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.383 8.458 -1.991 1.00 0.00 O ATOM 0 H GLU A 11 -3.366 7.928 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.274 5.706 -1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.378 7.491 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.194 5.975 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.851 6.622 -1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.529 7.757 -1.189 1.00 0.00 H new ATOM 129 N ALA A 12 -3.602 3.779 -3.072 1.00 0.00 N ATOM 130 CA ALA A 12 -3.291 2.595 -3.863 1.00 0.00 C ATOM 131 C ALA A 12 -4.395 1.550 -3.745 1.00 0.00 C ATOM 132 O ALA A 12 -5.119 1.509 -2.749 1.00 0.00 O ATOM 133 CB ALA A 12 -1.957 2.006 -3.429 1.00 0.00 C ATOM 0 H ALA A 12 -3.566 3.633 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.221 2.895 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.737 1.122 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.169 2.746 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.007 1.727 -2.376 1.00 0.00 H new ATOM 139 N ILE A 13 -4.520 0.710 -4.766 1.00 0.00 N ATOM 140 CA ILE A 13 -5.537 -0.335 -4.776 1.00 0.00 C ATOM 141 C ILE A 13 -4.901 -1.721 -4.794 1.00 0.00 C ATOM 142 O ILE A 13 -4.038 -2.008 -5.623 1.00 0.00 O ATOM 143 CB ILE A 13 -6.474 -0.196 -5.990 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.135 1.184 -5.997 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.528 -1.294 -5.973 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.004 1.444 -4.787 1.00 0.00 C ATOM 0 H ILE A 13 -3.930 0.732 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.120 -0.218 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.883 -0.299 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.360 1.949 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.741 1.283 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.183 -1.183 -6.837 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.040 -2.268 -6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.117 -1.219 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.440 2.440 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.801 0.702 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.398 1.378 -3.883 1.00 0.00 H new ATOM 158 N ALA A 14 -5.335 -2.577 -3.875 1.00 0.00 N ATOM 159 CA ALA A 14 -4.811 -3.934 -3.787 1.00 0.00 C ATOM 160 C ALA A 14 -4.902 -4.645 -5.133 1.00 0.00 C ATOM 161 O ALA A 14 -5.985 -4.782 -5.703 1.00 0.00 O ATOM 162 CB ALA A 14 -5.559 -4.721 -2.721 1.00 0.00 C ATOM 0 H ALA A 14 -6.048 -2.355 -3.181 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.759 -3.874 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.157 -5.733 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.439 -4.230 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.618 -4.765 -2.977 1.00 0.00 H new ATOM 168 N LYS A 15 -3.759 -5.097 -5.637 1.00 0.00 N ATOM 169 CA LYS A 15 -3.708 -5.795 -6.916 1.00 0.00 C ATOM 170 C LYS A 15 -4.237 -7.219 -6.779 1.00 0.00 C ATOM 171 O LYS A 15 -4.897 -7.736 -7.681 1.00 0.00 O ATOM 172 CB LYS A 15 -2.274 -5.821 -7.450 1.00 0.00 C ATOM 173 CG LYS A 15 -2.189 -5.784 -8.966 1.00 0.00 C ATOM 174 CD LYS A 15 -0.805 -5.369 -9.436 1.00 0.00 C ATOM 175 CE LYS A 15 0.105 -6.573 -9.624 1.00 0.00 C ATOM 176 NZ LYS A 15 0.023 -7.120 -11.006 1.00 0.00 N ATOM 0 H LYS A 15 -2.854 -4.992 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.341 -5.257 -7.621 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.728 -4.970 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.777 -6.721 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.432 -6.767 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.931 -5.087 -9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.887 -4.824 -10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.362 -4.687 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.134 -6.288 -9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.168 -7.349 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.550 -8.015 -11.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.973 -7.290 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.435 -6.438 -11.674 1.00 0.00 H new ATOM 190 N PHE A 16 -3.944 -7.849 -5.646 1.00 0.00 N ATOM 191 CA PHE A 16 -4.391 -9.213 -5.392 1.00 0.00 C ATOM 192 C PHE A 16 -4.344 -9.532 -3.900 1.00 0.00 C ATOM 193 O PHE A 16 -3.420 -9.124 -3.196 1.00 0.00 O ATOM 194 CB PHE A 16 -3.524 -10.209 -6.165 1.00 0.00 C ATOM 195 CG PHE A 16 -3.430 -9.907 -7.634 1.00 0.00 C ATOM 196 CD1 PHE A 16 -4.503 -10.151 -8.475 1.00 0.00 C ATOM 197 CD2 PHE A 16 -2.268 -9.379 -8.172 1.00 0.00 C ATOM 198 CE1 PHE A 16 -4.418 -9.875 -9.826 1.00 0.00 C ATOM 199 CE2 PHE A 16 -2.177 -9.101 -9.523 1.00 0.00 C ATOM 200 CZ PHE A 16 -3.254 -9.348 -10.351 1.00 0.00 C ATOM 0 H PHE A 16 -3.399 -7.436 -4.889 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.423 -9.300 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.521 -10.214 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.931 -11.212 -6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.416 -10.562 -8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.423 -9.182 -7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.261 -10.071 -10.472 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.265 -8.691 -9.930 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.187 -9.130 -11.407 1.00 0.00 H new ATOM 210 N ASP A 17 -5.347 -10.263 -3.426 1.00 0.00 N ATOM 211 CA ASP A 17 -5.421 -10.637 -2.019 1.00 0.00 C ATOM 212 C ASP A 17 -4.030 -10.903 -1.453 1.00 0.00 C ATOM 213 O ASP A 17 -3.220 -11.597 -2.069 1.00 0.00 O ATOM 214 CB ASP A 17 -6.301 -11.876 -1.844 1.00 0.00 C ATOM 215 CG ASP A 17 -5.864 -12.737 -0.675 1.00 0.00 C ATOM 216 OD1 ASP A 17 -4.763 -13.321 -0.749 1.00 0.00 O ATOM 217 OD2 ASP A 17 -6.623 -12.827 0.312 1.00 0.00 O ATOM 0 H ASP A 17 -6.120 -10.608 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.864 -9.805 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.335 -11.565 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.274 -12.469 -2.758 1.00 0.00 H new ATOM 222 N TYR A 18 -3.758 -10.346 -0.278 1.00 0.00 N ATOM 223 CA TYR A 18 -2.463 -10.520 0.369 1.00 0.00 C ATOM 224 C TYR A 18 -2.625 -10.687 1.877 1.00 0.00 C ATOM 225 O TYR A 18 -3.554 -10.146 2.477 1.00 0.00 O ATOM 226 CB TYR A 18 -1.556 -9.324 0.072 1.00 0.00 C ATOM 227 CG TYR A 18 -0.208 -9.403 0.752 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.846 -10.098 0.170 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.012 -8.783 1.976 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.079 -10.173 0.788 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.243 -8.852 2.600 1.00 0.00 C ATOM 232 CZ TYR A 18 2.273 -9.548 2.002 1.00 0.00 C ATOM 233 OH TYR A 18 3.499 -9.620 2.622 1.00 0.00 O ATOM 0 H TYR A 18 -4.417 -9.770 0.246 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.004 -11.424 -0.031 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.406 -9.251 -1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.059 -8.410 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.698 -10.587 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.793 -8.238 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.887 -10.718 0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.398 -8.364 3.551 1.00 0.00 H new ATOM 0 HH TYR A 18 4.038 -8.840 2.373 1.00 0.00 H new ATOM 243 N VAL A 19 -1.713 -11.440 2.483 1.00 0.00 N ATOM 244 CA VAL A 19 -1.753 -11.678 3.921 1.00 0.00 C ATOM 245 C VAL A 19 -0.403 -11.381 4.565 1.00 0.00 C ATOM 246 O VAL A 19 0.559 -12.126 4.387 1.00 0.00 O ATOM 247 CB VAL A 19 -2.151 -13.132 4.239 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.259 -14.107 3.484 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.085 -13.387 5.737 1.00 0.00 C ATOM 0 H VAL A 19 -0.938 -11.895 2.001 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.505 -11.005 4.332 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.179 -13.289 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.555 -15.129 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.362 -13.939 2.412 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.221 -13.952 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.369 -14.419 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.069 -13.213 6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.769 -12.712 6.251 1.00 0.00 H new ATOM 259 N GLY A 20 -0.340 -10.284 5.314 1.00 0.00 N ATOM 260 CA GLY A 20 0.896 -9.907 5.974 1.00 0.00 C ATOM 261 C GLY A 20 1.662 -11.104 6.500 1.00 0.00 C ATOM 262 O GLY A 20 1.271 -11.710 7.498 1.00 0.00 O ATOM 0 H GLY A 20 -1.123 -9.650 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.525 -9.357 5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.672 -9.232 6.800 1.00 0.00 H new ATOM 266 N ARG A 21 2.755 -11.448 5.827 1.00 0.00 N ATOM 267 CA ARG A 21 3.576 -12.584 6.231 1.00 0.00 C ATOM 268 C ARG A 21 4.023 -12.441 7.683 1.00 0.00 C ATOM 269 O ARG A 21 4.249 -13.435 8.375 1.00 0.00 O ATOM 270 CB ARG A 21 4.798 -12.707 5.319 1.00 0.00 C ATOM 271 CG ARG A 21 4.450 -13.025 3.874 1.00 0.00 C ATOM 272 CD ARG A 21 5.623 -13.661 3.145 1.00 0.00 C ATOM 273 NE ARG A 21 6.554 -12.661 2.630 1.00 0.00 N ATOM 274 CZ ARG A 21 7.465 -12.916 1.697 1.00 0.00 C ATOM 275 NH1 ARG A 21 7.566 -14.133 1.180 1.00 0.00 N ATOM 276 NH2 ARG A 21 8.276 -11.953 1.278 1.00 0.00 N ATOM 0 H ARG A 21 3.093 -10.957 4.999 1.00 0.00 H new ATOM 0 HA ARG A 21 2.973 -13.487 6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.360 -11.774 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.453 -13.488 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.594 -13.699 3.845 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.154 -12.110 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.150 -14.332 3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.251 -14.269 2.320 1.00 0.00 H new ATOM 0 HE ARG A 21 6.502 -11.715 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.944 -14.876 1.498 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.266 -14.326 0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.201 -11.015 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.975 -12.150 0.562 1.00 0.00 H new ATOM 290 N THR A 22 4.151 -11.199 8.139 1.00 0.00 N ATOM 291 CA THR A 22 4.573 -10.927 9.507 1.00 0.00 C ATOM 292 C THR A 22 3.854 -9.707 10.071 1.00 0.00 C ATOM 293 O THR A 22 3.323 -8.886 9.323 1.00 0.00 O ATOM 294 CB THR A 22 6.094 -10.696 9.590 1.00 0.00 C ATOM 295 OG1 THR A 22 6.462 -9.566 8.792 1.00 0.00 O ATOM 296 CG2 THR A 22 6.854 -11.926 9.118 1.00 0.00 C ATOM 0 H THR A 22 3.968 -10.365 7.580 1.00 0.00 H new ATOM 0 HA THR A 22 4.313 -11.805 10.099 1.00 0.00 H new ATOM 0 HB THR A 22 6.354 -10.505 10.631 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.430 -9.425 8.851 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.926 -11.740 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.594 -12.778 9.746 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.588 -12.143 8.084 1.00 0.00 H new ATOM 304 N ALA A 23 3.841 -9.593 11.395 1.00 0.00 N ATOM 305 CA ALA A 23 3.189 -8.471 12.060 1.00 0.00 C ATOM 306 C ALA A 23 3.505 -7.157 11.354 1.00 0.00 C ATOM 307 O ALA A 23 2.675 -6.248 11.314 1.00 0.00 O ATOM 308 CB ALA A 23 3.613 -8.404 13.519 1.00 0.00 C ATOM 0 H ALA A 23 4.275 -10.264 12.029 1.00 0.00 H new ATOM 0 HA ALA A 23 2.111 -8.628 12.014 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.119 -7.562 14.003 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.331 -9.329 14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.694 -8.273 13.578 1.00 0.00 H new ATOM 314 N ARG A 24 4.708 -7.063 10.798 1.00 0.00 N ATOM 315 CA ARG A 24 5.134 -5.858 10.096 1.00 0.00 C ATOM 316 C ARG A 24 4.250 -5.598 8.879 1.00 0.00 C ATOM 317 O ARG A 24 3.718 -4.502 8.710 1.00 0.00 O ATOM 318 CB ARG A 24 6.595 -5.985 9.661 1.00 0.00 C ATOM 319 CG ARG A 24 7.584 -5.470 10.693 1.00 0.00 C ATOM 320 CD ARG A 24 7.860 -3.986 10.508 1.00 0.00 C ATOM 321 NE ARG A 24 8.287 -3.349 11.751 1.00 0.00 N ATOM 322 CZ ARG A 24 7.443 -2.888 12.667 1.00 0.00 C ATOM 323 NH1 ARG A 24 6.134 -2.993 12.481 1.00 0.00 N ATOM 324 NH2 ARG A 24 7.908 -2.321 13.773 1.00 0.00 N ATOM 0 H ARG A 24 5.405 -7.807 10.820 1.00 0.00 H new ATOM 0 HA ARG A 24 5.038 -5.015 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.813 -7.032 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.737 -5.437 8.729 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.191 -5.646 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.517 -6.027 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.631 -3.853 9.749 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.961 -3.493 10.139 1.00 0.00 H new ATOM 0 HE ARG A 24 9.287 -3.253 11.925 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.773 -3.429 11.632 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.489 -2.638 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.914 -2.239 13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.259 -1.967 14.476 1.00 0.00 H new ATOM 338 N GLU A 25 4.101 -6.614 8.034 1.00 0.00 N ATOM 339 CA GLU A 25 3.283 -6.494 6.833 1.00 0.00 C ATOM 340 C GLU A 25 1.807 -6.346 7.192 1.00 0.00 C ATOM 341 O GLU A 25 1.432 -6.409 8.363 1.00 0.00 O ATOM 342 CB GLU A 25 3.480 -7.714 5.931 1.00 0.00 C ATOM 343 CG GLU A 25 4.938 -8.090 5.726 1.00 0.00 C ATOM 344 CD GLU A 25 5.859 -6.885 5.737 1.00 0.00 C ATOM 345 OE1 GLU A 25 6.246 -6.446 6.840 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.191 -6.382 4.644 1.00 0.00 O ATOM 0 H GLU A 25 4.536 -7.528 8.159 1.00 0.00 H new ATOM 0 HA GLU A 25 3.600 -5.600 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.952 -8.564 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.025 -7.515 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.244 -8.783 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.044 -8.615 4.777 1.00 0.00 H new ATOM 353 N LEU A 26 0.975 -6.149 6.175 1.00 0.00 N ATOM 354 CA LEU A 26 -0.461 -5.991 6.382 1.00 0.00 C ATOM 355 C LEU A 26 -1.249 -6.899 5.443 1.00 0.00 C ATOM 356 O LEU A 26 -0.933 -7.008 4.258 1.00 0.00 O ATOM 357 CB LEU A 26 -0.870 -4.534 6.164 1.00 0.00 C ATOM 358 CG LEU A 26 -0.017 -3.483 6.875 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.321 -2.094 6.335 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.248 -3.536 8.378 1.00 0.00 C ATOM 0 H LEU A 26 1.269 -6.095 5.200 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.689 -6.276 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.848 -4.328 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.903 -4.415 6.490 1.00 0.00 H new ATOM 0 HG LEU A 26 1.033 -3.703 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.295 -1.359 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.103 -2.063 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.374 -1.863 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.367 -2.781 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.299 -3.342 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.022 -4.523 8.753 1.00 0.00 H new ATOM 372 N SER A 27 -2.277 -7.548 5.981 1.00 0.00 N ATOM 373 CA SER A 27 -3.110 -8.448 5.191 1.00 0.00 C ATOM 374 C SER A 27 -4.320 -7.711 4.625 1.00 0.00 C ATOM 375 O SER A 27 -5.079 -7.081 5.363 1.00 0.00 O ATOM 376 CB SER A 27 -3.572 -9.630 6.045 1.00 0.00 C ATOM 377 OG SER A 27 -4.428 -9.201 7.090 1.00 0.00 O ATOM 0 H SER A 27 -2.553 -7.468 6.960 1.00 0.00 H new ATOM 0 HA SER A 27 -2.512 -8.821 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.093 -10.354 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.705 -10.139 6.467 1.00 0.00 H new ATOM 0 HG SER A 27 -4.991 -8.465 6.770 1.00 0.00 H new ATOM 383 N PHE A 28 -4.494 -7.795 3.310 1.00 0.00 N ATOM 384 CA PHE A 28 -5.611 -7.136 2.643 1.00 0.00 C ATOM 385 C PHE A 28 -6.194 -8.026 1.550 1.00 0.00 C ATOM 386 O PHE A 28 -5.671 -9.105 1.267 1.00 0.00 O ATOM 387 CB PHE A 28 -5.160 -5.802 2.044 1.00 0.00 C ATOM 388 CG PHE A 28 -3.879 -5.897 1.267 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.881 -6.339 -0.047 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.672 -5.545 1.849 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.704 -6.427 -0.765 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.492 -5.630 1.135 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.507 -6.073 -0.173 1.00 0.00 C ATOM 0 H PHE A 28 -3.876 -8.313 2.685 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.386 -6.949 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.945 -5.423 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.036 -5.076 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.814 -6.618 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.653 -5.200 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.720 -6.772 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.558 -5.350 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.585 -6.143 -0.732 1.00 0.00 H new ATOM 403 N LYS A 29 -7.280 -7.567 0.937 1.00 0.00 N ATOM 404 CA LYS A 29 -7.935 -8.320 -0.126 1.00 0.00 C ATOM 405 C LYS A 29 -7.976 -7.511 -1.419 1.00 0.00 C ATOM 406 O LYS A 29 -8.093 -6.286 -1.394 1.00 0.00 O ATOM 407 CB LYS A 29 -9.356 -8.703 0.293 1.00 0.00 C ATOM 408 CG LYS A 29 -9.405 -9.786 1.357 1.00 0.00 C ATOM 409 CD LYS A 29 -9.433 -9.193 2.756 1.00 0.00 C ATOM 410 CE LYS A 29 -10.846 -8.817 3.174 1.00 0.00 C ATOM 411 NZ LYS A 29 -11.651 -8.321 2.023 1.00 0.00 N ATOM 0 H LYS A 29 -7.725 -6.676 1.158 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.358 -9.228 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.868 -7.816 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.906 -9.043 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.289 -10.406 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.537 -10.438 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.022 -9.911 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.795 -8.310 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.338 -9.685 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.804 -8.049 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.618 -8.107 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.214 -7.459 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.684 -9.051 1.283 1.00 0.00 H new ATOM 425 N LYS A 30 -7.879 -8.205 -2.548 1.00 0.00 N ATOM 426 CA LYS A 30 -7.908 -7.553 -3.852 1.00 0.00 C ATOM 427 C LYS A 30 -9.024 -6.515 -3.917 1.00 0.00 C ATOM 428 O LYS A 30 -10.191 -6.829 -3.687 1.00 0.00 O ATOM 429 CB LYS A 30 -8.097 -8.591 -4.960 1.00 0.00 C ATOM 430 CG LYS A 30 -8.124 -7.992 -6.356 1.00 0.00 C ATOM 431 CD LYS A 30 -7.908 -9.053 -7.422 1.00 0.00 C ATOM 432 CE LYS A 30 -8.202 -8.514 -8.813 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.628 -8.712 -9.195 1.00 0.00 N ATOM 0 H LYS A 30 -7.780 -9.219 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.955 -7.045 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.291 -9.322 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.029 -9.130 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.081 -7.497 -6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.351 -7.228 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.879 -9.409 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.551 -9.910 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.961 -7.452 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.559 -9.012 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.788 -8.331 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.852 -9.727 -9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.241 -8.216 -8.517 1.00 0.00 H new ATOM 447 N GLY A 31 -8.657 -5.277 -4.233 1.00 0.00 N ATOM 448 CA GLY A 31 -9.639 -4.212 -4.324 1.00 0.00 C ATOM 449 C GLY A 31 -9.647 -3.324 -3.095 1.00 0.00 C ATOM 450 O GLY A 31 -9.973 -2.141 -3.179 1.00 0.00 O ATOM 0 H GLY A 31 -7.697 -4.992 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.432 -3.605 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.629 -4.646 -4.461 1.00 0.00 H new ATOM 454 N ALA A 32 -9.288 -3.897 -1.951 1.00 0.00 N ATOM 455 CA ALA A 32 -9.255 -3.149 -0.700 1.00 0.00 C ATOM 456 C ALA A 32 -8.428 -1.875 -0.844 1.00 0.00 C ATOM 457 O ALA A 32 -7.294 -1.911 -1.320 1.00 0.00 O ATOM 458 CB ALA A 32 -8.700 -4.017 0.419 1.00 0.00 C ATOM 0 H ALA A 32 -9.016 -4.876 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.276 -2.862 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.681 -3.446 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.333 -4.895 0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.688 -4.333 0.167 1.00 0.00 H new ATOM 464 N SER A 33 -9.005 -0.751 -0.430 1.00 0.00 N ATOM 465 CA SER A 33 -8.322 0.534 -0.517 1.00 0.00 C ATOM 466 C SER A 33 -7.217 0.635 0.530 1.00 0.00 C ATOM 467 O SER A 33 -7.421 0.305 1.699 1.00 0.00 O ATOM 468 CB SER A 33 -9.321 1.679 -0.333 1.00 0.00 C ATOM 469 OG SER A 33 -8.660 2.932 -0.305 1.00 0.00 O ATOM 0 H SER A 33 -9.943 -0.705 -0.032 1.00 0.00 H new ATOM 0 HA SER A 33 -7.869 0.611 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.048 1.666 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.876 1.536 0.594 1.00 0.00 H new ATOM 0 HG SER A 33 -9.320 3.647 -0.188 1.00 0.00 H new ATOM 475 N LEU A 34 -6.046 1.093 0.102 1.00 0.00 N ATOM 476 CA LEU A 34 -4.907 1.238 1.002 1.00 0.00 C ATOM 477 C LEU A 34 -4.243 2.600 0.824 1.00 0.00 C ATOM 478 O LEU A 34 -4.089 3.087 -0.297 1.00 0.00 O ATOM 479 CB LEU A 34 -3.888 0.125 0.750 1.00 0.00 C ATOM 480 CG LEU A 34 -4.461 -1.283 0.581 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.543 -2.131 -0.286 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.674 -1.939 1.937 1.00 0.00 C ATOM 0 H LEU A 34 -5.860 1.370 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.272 1.163 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.321 0.375 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.182 0.111 1.580 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.427 -1.204 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.966 -3.130 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.442 -1.670 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.562 -2.202 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.082 -2.940 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.721 -2.006 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.371 -1.342 2.525 1.00 0.00 H new ATOM 494 N LEU A 35 -3.848 3.209 1.937 1.00 0.00 N ATOM 495 CA LEU A 35 -3.198 4.515 1.905 1.00 0.00 C ATOM 496 C LEU A 35 -1.687 4.374 2.057 1.00 0.00 C ATOM 497 O LEU A 35 -1.202 3.773 3.017 1.00 0.00 O ATOM 498 CB LEU A 35 -3.753 5.410 3.014 1.00 0.00 C ATOM 499 CG LEU A 35 -3.766 6.911 2.721 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.724 7.224 1.582 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.145 7.695 3.969 1.00 0.00 C ATOM 0 H LEU A 35 -3.966 2.820 2.872 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.406 4.974 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.773 5.094 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.167 5.241 3.917 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.763 7.211 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.720 8.297 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.409 6.691 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.731 6.909 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.149 8.761 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.137 7.391 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.420 7.495 4.758 1.00 0.00 H new ATOM 513 N LEU A 36 -0.947 4.934 1.107 1.00 0.00 N ATOM 514 CA LEU A 36 0.511 4.873 1.136 1.00 0.00 C ATOM 515 C LEU A 36 1.098 6.164 1.698 1.00 0.00 C ATOM 516 O LEU A 36 0.620 7.258 1.397 1.00 0.00 O ATOM 517 CB LEU A 36 1.059 4.619 -0.269 1.00 0.00 C ATOM 518 CG LEU A 36 0.513 3.386 -0.990 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.194 3.210 -2.338 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.696 2.143 -0.132 1.00 0.00 C ATOM 0 H LEU A 36 -1.332 5.436 0.307 1.00 0.00 H new ATOM 0 HA LEU A 36 0.803 4.049 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.851 5.496 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.143 4.526 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.553 3.532 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.792 2.328 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.012 4.090 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.267 3.086 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.302 1.275 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.757 1.994 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.161 2.269 0.809 1.00 0.00 H new ATOM 532 N TYR A 37 2.138 6.028 2.514 1.00 0.00 N ATOM 533 CA TYR A 37 2.791 7.183 3.118 1.00 0.00 C ATOM 534 C TYR A 37 4.210 7.349 2.582 1.00 0.00 C ATOM 535 O TYR A 37 4.623 8.451 2.222 1.00 0.00 O ATOM 536 CB TYR A 37 2.822 7.039 4.640 1.00 0.00 C ATOM 537 CG TYR A 37 1.450 7.016 5.275 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.509 7.995 4.978 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.094 6.017 6.172 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.746 7.978 5.555 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.158 5.991 6.753 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.075 6.974 6.442 1.00 0.00 C ATOM 543 OH TYR A 37 -2.323 6.953 7.020 1.00 0.00 O ATOM 0 H TYR A 37 2.546 5.130 2.772 1.00 0.00 H new ATOM 0 HA TYR A 37 2.217 8.072 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.348 6.120 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.395 7.864 5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.763 8.783 4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.810 5.247 6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.465 8.746 5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.418 5.206 7.447 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.393 6.180 7.619 1.00 0.00 H new ATOM 553 N GLN A 38 4.949 6.246 2.533 1.00 0.00 N ATOM 554 CA GLN A 38 6.322 6.268 2.041 1.00 0.00 C ATOM 555 C GLN A 38 6.745 4.889 1.546 1.00 0.00 C ATOM 556 O GLN A 38 6.177 3.873 1.948 1.00 0.00 O ATOM 557 CB GLN A 38 7.272 6.742 3.142 1.00 0.00 C ATOM 558 CG GLN A 38 7.419 8.253 3.210 1.00 0.00 C ATOM 559 CD GLN A 38 8.682 8.685 3.928 1.00 0.00 C ATOM 560 OE1 GLN A 38 8.625 9.351 4.963 1.00 0.00 O ATOM 561 NE2 GLN A 38 9.832 8.308 3.382 1.00 0.00 N ATOM 0 H GLN A 38 4.621 5.326 2.828 1.00 0.00 H new ATOM 0 HA GLN A 38 6.371 6.964 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.911 6.377 4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.254 6.297 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.424 8.660 2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.553 8.676 3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.833 7.757 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.715 8.570 3.821 1.00 0.00 H new ATOM 570 N ARG A 39 7.745 4.861 0.671 1.00 0.00 N ATOM 571 CA ARG A 39 8.243 3.607 0.120 1.00 0.00 C ATOM 572 C ARG A 39 9.336 3.018 1.008 1.00 0.00 C ATOM 573 O ARG A 39 10.435 3.564 1.101 1.00 0.00 O ATOM 574 CB ARG A 39 8.784 3.825 -1.294 1.00 0.00 C ATOM 575 CG ARG A 39 9.299 2.556 -1.952 1.00 0.00 C ATOM 576 CD ARG A 39 8.200 1.843 -2.725 1.00 0.00 C ATOM 577 NE ARG A 39 8.741 0.941 -3.738 1.00 0.00 N ATOM 578 CZ ARG A 39 9.104 1.334 -4.954 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.986 2.607 -5.305 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.588 0.454 -5.821 1.00 0.00 N ATOM 0 H ARG A 39 8.226 5.693 0.329 1.00 0.00 H new ATOM 0 HA ARG A 39 7.412 2.903 0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.995 4.251 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.590 4.557 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.119 2.802 -2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.702 1.888 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.577 1.278 -2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.556 2.581 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 39 8.846 -0.045 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.616 3.287 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.265 2.906 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.682 -0.526 -5.554 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.866 0.758 -6.754 1.00 0.00 H new ATOM 594 N ALA A 40 9.025 1.902 1.659 1.00 0.00 N ATOM 595 CA ALA A 40 9.980 1.240 2.539 1.00 0.00 C ATOM 596 C ALA A 40 11.109 0.599 1.739 1.00 0.00 C ATOM 597 O ALA A 40 12.275 0.669 2.128 1.00 0.00 O ATOM 598 CB ALA A 40 9.275 0.194 3.391 1.00 0.00 C ATOM 0 H ALA A 40 8.119 1.437 1.594 1.00 0.00 H new ATOM 0 HA ALA A 40 10.416 1.994 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.000 -0.293 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.507 0.675 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.812 -0.551 2.744 1.00 0.00 H new ATOM 604 N SER A 41 10.756 -0.025 0.620 1.00 0.00 N ATOM 605 CA SER A 41 11.740 -0.681 -0.232 1.00 0.00 C ATOM 606 C SER A 41 11.216 -0.823 -1.658 1.00 0.00 C ATOM 607 O SER A 41 10.057 -0.516 -1.938 1.00 0.00 O ATOM 608 CB SER A 41 12.096 -2.059 0.331 1.00 0.00 C ATOM 609 OG SER A 41 12.447 -1.974 1.701 1.00 0.00 O ATOM 0 H SER A 41 9.796 -0.090 0.282 1.00 0.00 H new ATOM 0 HA SER A 41 12.636 -0.061 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.249 -2.735 0.210 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.925 -2.483 -0.235 1.00 0.00 H new ATOM 0 HG SER A 41 12.718 -1.056 1.913 1.00 0.00 H new ATOM 615 N ASP A 42 12.078 -1.288 -2.555 1.00 0.00 N ATOM 616 CA ASP A 42 11.704 -1.472 -3.952 1.00 0.00 C ATOM 617 C ASP A 42 10.610 -2.527 -4.088 1.00 0.00 C ATOM 618 O ASP A 42 9.992 -2.662 -5.144 1.00 0.00 O ATOM 619 CB ASP A 42 12.924 -1.876 -4.781 1.00 0.00 C ATOM 620 CG ASP A 42 14.074 -0.899 -4.632 1.00 0.00 C ATOM 621 OD1 ASP A 42 13.901 0.282 -5.000 1.00 0.00 O ATOM 622 OD2 ASP A 42 15.148 -1.315 -4.149 1.00 0.00 O ATOM 0 H ASP A 42 13.041 -1.545 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 42 11.318 -0.524 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.253 -2.870 -4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.640 -1.942 -5.831 1.00 0.00 H new ATOM 627 N ASP A 43 10.377 -3.272 -3.013 1.00 0.00 N ATOM 628 CA ASP A 43 9.358 -4.315 -3.011 1.00 0.00 C ATOM 629 C ASP A 43 8.499 -4.233 -1.753 1.00 0.00 C ATOM 630 O ASP A 43 7.871 -5.214 -1.355 1.00 0.00 O ATOM 631 CB ASP A 43 10.010 -5.695 -3.110 1.00 0.00 C ATOM 632 CG ASP A 43 9.105 -6.717 -3.768 1.00 0.00 C ATOM 633 OD1 ASP A 43 8.133 -7.154 -3.117 1.00 0.00 O ATOM 634 OD2 ASP A 43 9.368 -7.081 -4.934 1.00 0.00 O ATOM 0 H ASP A 43 10.880 -3.173 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 43 8.715 -4.163 -3.878 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.937 -5.616 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.277 -6.040 -2.111 1.00 0.00 H new ATOM 639 N TRP A 44 8.479 -3.060 -1.132 1.00 0.00 N ATOM 640 CA TRP A 44 7.698 -2.851 0.082 1.00 0.00 C ATOM 641 C TRP A 44 7.221 -1.406 0.181 1.00 0.00 C ATOM 642 O TRP A 44 7.814 -0.505 -0.412 1.00 0.00 O ATOM 643 CB TRP A 44 8.528 -3.212 1.315 1.00 0.00 C ATOM 644 CG TRP A 44 8.776 -4.684 1.454 1.00 0.00 C ATOM 645 CD1 TRP A 44 9.978 -5.325 1.360 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.797 -5.697 1.710 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.806 -6.676 1.542 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.477 -6.930 1.760 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.414 -5.683 1.905 1.00 0.00 C ATOM 650 CZ2 TRP A 44 7.819 -8.134 1.994 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.761 -6.879 2.137 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.464 -8.091 2.181 1.00 0.00 C ATOM 0 H TRP A 44 8.994 -2.239 -1.449 1.00 0.00 H new ATOM 0 HA TRP A 44 6.824 -3.500 0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.485 -2.693 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.016 -2.851 2.207 1.00 0.00 H new ATOM 0 HD1 TRP A 44 10.925 -4.841 1.170 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.547 -7.376 1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.864 -4.754 1.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.359 -9.069 2.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.691 -6.880 2.287 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.926 -9.009 2.366 1.00 0.00 H new ATOM 663 N TRP A 45 6.147 -1.193 0.933 1.00 0.00 N ATOM 664 CA TRP A 45 5.591 0.144 1.108 1.00 0.00 C ATOM 665 C TRP A 45 5.171 0.373 2.556 1.00 0.00 C ATOM 666 O TRP A 45 4.948 -0.578 3.304 1.00 0.00 O ATOM 667 CB TRP A 45 4.393 0.346 0.179 1.00 0.00 C ATOM 668 CG TRP A 45 4.782 0.694 -1.226 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.172 -0.172 -2.207 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.822 2.003 -1.804 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.451 0.519 -3.361 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.244 1.855 -3.140 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.541 3.285 -1.325 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.391 2.941 -3.999 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.688 4.362 -2.178 1.00 0.00 C ATOM 676 CH2 TRP A 45 5.109 4.185 -3.503 1.00 0.00 C ATOM 0 H TRP A 45 5.644 -1.928 1.431 1.00 0.00 H new ATOM 0 HA TRP A 45 6.365 0.869 0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.794 -0.565 0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.761 1.138 0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.250 -1.243 -2.092 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.762 0.105 -4.240 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.215 3.432 -0.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.716 2.806 -5.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.475 5.357 -1.817 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.213 5.047 -4.145 1.00 0.00 H new ATOM 687 N GLU A 46 5.066 1.640 2.944 1.00 0.00 N ATOM 688 CA GLU A 46 4.674 1.992 4.304 1.00 0.00 C ATOM 689 C GLU A 46 3.362 2.772 4.307 1.00 0.00 C ATOM 690 O GLU A 46 3.345 3.979 4.070 1.00 0.00 O ATOM 691 CB GLU A 46 5.772 2.817 4.978 1.00 0.00 C ATOM 692 CG GLU A 46 7.103 2.091 5.078 1.00 0.00 C ATOM 693 CD GLU A 46 7.912 2.521 6.287 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.219 3.726 6.397 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.238 1.652 7.123 1.00 0.00 O ATOM 0 H GLU A 46 5.247 2.439 2.337 1.00 0.00 H new ATOM 0 HA GLU A 46 4.529 1.068 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.914 3.743 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.443 3.095 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.924 1.017 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.682 2.276 4.173 1.00 0.00 H new ATOM 702 N GLY A 47 2.265 2.072 4.577 1.00 0.00 N ATOM 703 CA GLY A 47 0.964 2.714 4.605 1.00 0.00 C ATOM 704 C GLY A 47 0.126 2.274 5.789 1.00 0.00 C ATOM 705 O GLY A 47 0.659 1.820 6.801 1.00 0.00 O ATOM 0 H GLY A 47 2.254 1.072 4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.097 3.795 4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.430 2.487 3.682 1.00 0.00 H new ATOM 709 N ARG A 48 -1.190 2.410 5.664 1.00 0.00 N ATOM 710 CA ARG A 48 -2.104 2.026 6.733 1.00 0.00 C ATOM 711 C ARG A 48 -3.240 1.162 6.194 1.00 0.00 C ATOM 712 O ARG A 48 -3.705 1.360 5.071 1.00 0.00 O ATOM 713 CB ARG A 48 -2.674 3.269 7.417 1.00 0.00 C ATOM 714 CG ARG A 48 -3.803 2.966 8.389 1.00 0.00 C ATOM 715 CD ARG A 48 -4.760 4.142 8.514 1.00 0.00 C ATOM 716 NE ARG A 48 -5.705 4.199 7.403 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.801 4.950 7.408 1.00 0.00 C ATOM 718 NH1 ARG A 48 -7.088 5.703 8.461 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.612 4.949 6.358 1.00 0.00 N ATOM 0 H ARG A 48 -1.647 2.784 4.832 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.543 1.443 7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.873 3.779 7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.037 3.958 6.655 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.349 2.085 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.388 2.728 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.309 4.065 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.190 5.070 8.553 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.513 3.631 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.467 5.707 9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.930 6.279 8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.394 4.371 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.453 5.526 6.363 1.00 0.00 H new ATOM 733 N HIS A 49 -3.683 0.204 7.002 1.00 0.00 N ATOM 734 CA HIS A 49 -4.765 -0.690 6.606 1.00 0.00 C ATOM 735 C HIS A 49 -5.777 -0.853 7.736 1.00 0.00 C ATOM 736 O HIS A 49 -5.498 -1.503 8.743 1.00 0.00 O ATOM 737 CB HIS A 49 -4.207 -2.056 6.206 1.00 0.00 C ATOM 738 CG HIS A 49 -5.265 -3.076 5.921 1.00 0.00 C ATOM 739 ND1 HIS A 49 -6.011 -3.684 6.909 1.00 0.00 N ATOM 740 CD2 HIS A 49 -5.704 -3.594 4.750 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.860 -4.532 6.359 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.694 -4.497 5.049 1.00 0.00 N ATOM 0 H HIS A 49 -3.309 0.027 7.935 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.272 -0.247 5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.580 -1.938 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.565 -2.425 7.006 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -5.921 -3.506 7.909 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.343 -3.343 3.764 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.570 -5.149 6.890 1.00 0.00 H new ATOM 751 N ASN A 50 -6.952 -0.256 7.563 1.00 0.00 N ATOM 752 CA ASN A 50 -8.005 -0.334 8.569 1.00 0.00 C ATOM 753 C ASN A 50 -7.518 0.212 9.908 1.00 0.00 C ATOM 754 O ASN A 50 -7.975 -0.216 10.968 1.00 0.00 O ATOM 755 CB ASN A 50 -8.474 -1.781 8.736 1.00 0.00 C ATOM 756 CG ASN A 50 -9.431 -2.207 7.639 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.143 -1.383 7.066 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.453 -3.502 7.344 1.00 0.00 N ATOM 0 H ASN A 50 -7.199 0.287 6.736 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.843 0.275 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.608 -2.443 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.962 -1.893 9.704 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.078 -3.849 6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.845 -4.150 7.845 1.00 0.00 H new ATOM 765 N GLY A 51 -6.588 1.161 9.852 1.00 0.00 N ATOM 766 CA GLY A 51 -6.055 1.750 11.067 1.00 0.00 C ATOM 767 C GLY A 51 -4.755 1.104 11.503 1.00 0.00 C ATOM 768 O GLY A 51 -4.069 1.611 12.390 1.00 0.00 O ATOM 0 H GLY A 51 -6.194 1.532 8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.892 2.816 10.909 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.790 1.655 11.866 1.00 0.00 H new ATOM 772 N ILE A 52 -4.417 -0.020 10.879 1.00 0.00 N ATOM 773 CA ILE A 52 -3.191 -0.736 11.209 1.00 0.00 C ATOM 774 C ILE A 52 -2.063 -0.364 10.252 1.00 0.00 C ATOM 775 O ILE A 52 -2.128 -0.654 9.057 1.00 0.00 O ATOM 776 CB ILE A 52 -3.402 -2.261 11.168 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.508 -2.671 12.142 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.104 -2.984 11.497 1.00 0.00 C ATOM 779 CD1 ILE A 52 -5.892 -2.640 11.532 1.00 0.00 C ATOM 0 H ILE A 52 -4.974 -0.454 10.143 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.916 -0.442 12.222 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.708 -2.544 10.161 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.304 -3.677 12.509 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.485 -2.006 13.006 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.269 -4.061 11.464 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.341 -2.711 10.768 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.771 -2.698 12.495 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.626 -2.942 12.279 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.117 -1.629 11.191 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.932 -3.326 10.686 1.00 0.00 H new ATOM 791 N ASP A 53 -1.029 0.277 10.786 1.00 0.00 N ATOM 792 CA ASP A 53 0.116 0.686 9.980 1.00 0.00 C ATOM 793 C ASP A 53 1.137 -0.442 9.876 1.00 0.00 C ATOM 794 O ASP A 53 1.512 -1.049 10.879 1.00 0.00 O ATOM 795 CB ASP A 53 0.771 1.930 10.582 1.00 0.00 C ATOM 796 CG ASP A 53 1.678 1.599 11.751 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.156 1.192 12.810 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.910 1.748 11.607 1.00 0.00 O ATOM 0 H ASP A 53 -0.960 0.525 11.773 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.241 0.922 8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.348 2.442 9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.004 2.622 10.912 1.00 0.00 H new ATOM 803 N GLY A 54 1.584 -0.719 8.655 1.00 0.00 N ATOM 804 CA GLY A 54 2.557 -1.774 8.442 1.00 0.00 C ATOM 805 C GLY A 54 3.201 -1.701 7.071 1.00 0.00 C ATOM 806 O GLY A 54 3.251 -0.635 6.456 1.00 0.00 O ATOM 0 H GLY A 54 1.289 -0.231 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.331 -1.710 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.070 -2.742 8.560 1.00 0.00 H new ATOM 810 N LEU A 55 3.695 -2.837 6.591 1.00 0.00 N ATOM 811 CA LEU A 55 4.341 -2.898 5.284 1.00 0.00 C ATOM 812 C LEU A 55 3.357 -3.357 4.212 1.00 0.00 C ATOM 813 O LEU A 55 2.376 -4.039 4.507 1.00 0.00 O ATOM 814 CB LEU A 55 5.541 -3.844 5.330 1.00 0.00 C ATOM 815 CG LEU A 55 6.876 -3.217 5.734 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.968 -4.274 5.790 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.256 -2.104 4.769 1.00 0.00 C ATOM 0 H LEU A 55 3.661 -3.728 7.087 1.00 0.00 H new ATOM 0 HA LEU A 55 4.686 -1.896 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.316 -4.651 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.659 -4.297 4.346 1.00 0.00 H new ATOM 0 HG LEU A 55 6.766 -2.786 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.910 -3.809 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.700 -5.036 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.078 -4.736 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.209 -1.669 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.347 -2.511 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.485 -1.333 4.781 1.00 0.00 H new ATOM 829 N ILE A 56 3.629 -2.981 2.967 1.00 0.00 N ATOM 830 CA ILE A 56 2.771 -3.357 1.851 1.00 0.00 C ATOM 831 C ILE A 56 3.596 -3.729 0.624 1.00 0.00 C ATOM 832 O ILE A 56 4.487 -2.995 0.197 1.00 0.00 O ATOM 833 CB ILE A 56 1.802 -2.219 1.478 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.796 -1.985 2.607 1.00 0.00 C ATOM 835 CG2 ILE A 56 1.080 -2.543 0.178 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.164 -0.612 2.578 1.00 0.00 C ATOM 0 H ILE A 56 4.437 -2.416 2.706 1.00 0.00 H new ATOM 0 HA ILE A 56 2.194 -4.224 2.174 1.00 0.00 H new ATOM 0 HB ILE A 56 2.378 -1.305 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.011 -2.739 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.298 -2.125 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.399 -1.730 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.809 -2.665 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.514 -3.467 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.538 -0.517 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.940 0.148 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.367 -0.476 1.636 1.00 0.00 H new ATOM 848 N PRO A 57 3.292 -4.898 0.040 1.00 0.00 N ATOM 849 CA PRO A 57 3.993 -5.395 -1.149 1.00 0.00 C ATOM 850 C PRO A 57 3.671 -4.576 -2.395 1.00 0.00 C ATOM 851 O PRO A 57 2.544 -4.114 -2.573 1.00 0.00 O ATOM 852 CB PRO A 57 3.468 -6.825 -1.298 1.00 0.00 C ATOM 853 CG PRO A 57 2.133 -6.810 -0.637 1.00 0.00 C ATOM 854 CD PRO A 57 2.242 -5.825 0.494 1.00 0.00 C ATOM 0 HA PRO A 57 5.076 -5.334 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.387 -7.110 -2.347 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.136 -7.543 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.353 -6.514 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.869 -7.801 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.298 -5.308 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.515 -6.315 1.429 1.00 0.00 H new ATOM 862 N HIS A 58 4.669 -4.401 -3.256 1.00 0.00 N ATOM 863 CA HIS A 58 4.491 -3.639 -4.487 1.00 0.00 C ATOM 864 C HIS A 58 4.036 -4.546 -5.626 1.00 0.00 C ATOM 865 O HIS A 58 3.808 -4.085 -6.744 1.00 0.00 O ATOM 866 CB HIS A 58 5.794 -2.937 -4.869 1.00 0.00 C ATOM 867 CG HIS A 58 5.681 -2.094 -6.102 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.509 -0.726 -6.066 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.718 -2.432 -7.412 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.443 -0.260 -7.300 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.568 -1.275 -8.136 1.00 0.00 N ATOM 0 H HIS A 58 5.608 -4.776 -3.124 1.00 0.00 H new ATOM 0 HA HIS A 58 3.720 -2.889 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.116 -2.309 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.570 -3.687 -5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.842 -3.427 -7.813 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.310 0.775 -7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.555 -1.210 -9.154 1.00 0.00 H new ATOM 879 N GLN A 59 3.906 -5.836 -5.334 1.00 0.00 N ATOM 880 CA GLN A 59 3.479 -6.807 -6.335 1.00 0.00 C ATOM 881 C GLN A 59 1.987 -7.097 -6.210 1.00 0.00 C ATOM 882 O GLN A 59 1.382 -7.686 -7.106 1.00 0.00 O ATOM 883 CB GLN A 59 4.277 -8.104 -6.190 1.00 0.00 C ATOM 884 CG GLN A 59 5.725 -7.981 -6.635 1.00 0.00 C ATOM 885 CD GLN A 59 5.856 -7.589 -8.094 1.00 0.00 C ATOM 886 OE1 GLN A 59 5.258 -8.211 -8.972 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.641 -6.551 -8.360 1.00 0.00 N ATOM 0 H GLN A 59 4.090 -6.233 -4.413 1.00 0.00 H new ATOM 0 HA GLN A 59 3.666 -6.382 -7.321 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.252 -8.422 -5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.792 -8.886 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.229 -7.239 -6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.234 -8.931 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.118 -6.064 -7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.767 -6.241 -9.323 1.00 0.00 H new ATOM 896 N TYR A 60 1.400 -6.679 -5.095 1.00 0.00 N ATOM 897 CA TYR A 60 -0.022 -6.896 -4.852 1.00 0.00 C ATOM 898 C TYR A 60 -0.751 -5.569 -4.661 1.00 0.00 C ATOM 899 O TYR A 60 -1.724 -5.485 -3.911 1.00 0.00 O ATOM 900 CB TYR A 60 -0.221 -7.782 -3.621 1.00 0.00 C ATOM 901 CG TYR A 60 0.353 -9.172 -3.776 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.725 -9.372 -3.871 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.476 -10.285 -3.827 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.253 -10.640 -4.014 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.043 -11.558 -3.968 1.00 0.00 C ATOM 906 CZ TYR A 60 1.409 -11.730 -4.061 1.00 0.00 C ATOM 907 OH TYR A 60 1.931 -12.995 -4.202 1.00 0.00 O ATOM 0 H TYR A 60 1.886 -6.188 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.441 -7.398 -5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.242 -7.301 -2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.287 -7.860 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.389 -8.521 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.546 -10.153 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.322 -10.778 -4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.616 -12.413 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 60 1.202 -13.650 -4.216 1.00 0.00 H new ATOM 917 N ILE A 61 -0.273 -4.536 -5.346 1.00 0.00 N ATOM 918 CA ILE A 61 -0.880 -3.213 -5.254 1.00 0.00 C ATOM 919 C ILE A 61 -0.487 -2.344 -6.444 1.00 0.00 C ATOM 920 O ILE A 61 0.565 -2.543 -7.051 1.00 0.00 O ATOM 921 CB ILE A 61 -0.473 -2.496 -3.953 1.00 0.00 C ATOM 922 CG1 ILE A 61 1.034 -2.228 -3.942 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.877 -3.325 -2.743 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.414 -0.892 -4.541 1.00 0.00 C ATOM 0 H ILE A 61 0.532 -4.589 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.960 -3.361 -5.255 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.994 -1.540 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.395 -2.272 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.540 -3.021 -4.492 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.583 -2.805 -1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.957 -3.470 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.381 -4.295 -2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.496 -0.769 -4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.083 -0.851 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.937 -0.091 -3.976 1.00 0.00 H new ATOM 936 N VAL A 62 -1.339 -1.379 -6.772 1.00 0.00 N ATOM 937 CA VAL A 62 -1.081 -0.476 -7.887 1.00 0.00 C ATOM 938 C VAL A 62 -1.026 0.974 -7.420 1.00 0.00 C ATOM 939 O VAL A 62 -2.059 1.598 -7.177 1.00 0.00 O ATOM 940 CB VAL A 62 -2.158 -0.612 -8.980 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.884 0.354 -10.123 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.225 -2.045 -9.487 1.00 0.00 C ATOM 0 H VAL A 62 -2.215 -1.202 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.114 -0.756 -8.304 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.125 -0.359 -8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.655 0.244 -10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.891 1.376 -9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.909 0.135 -10.559 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.991 -2.123 -10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.259 -2.329 -9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.473 -2.712 -8.661 1.00 0.00 H new ATOM 952 N VAL A 63 0.186 1.505 -7.297 1.00 0.00 N ATOM 953 CA VAL A 63 0.377 2.883 -6.861 1.00 0.00 C ATOM 954 C VAL A 63 -0.351 3.856 -7.782 1.00 0.00 C ATOM 955 O VAL A 63 0.186 4.274 -8.807 1.00 0.00 O ATOM 956 CB VAL A 63 1.870 3.256 -6.815 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.044 4.721 -6.444 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.613 2.358 -5.837 1.00 0.00 C ATOM 0 H VAL A 63 1.051 1.001 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.039 2.958 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 63 2.295 3.105 -7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.106 4.966 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.547 5.346 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.604 4.903 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.667 2.635 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.188 2.475 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.517 1.319 -6.152 1.00 0.00 H new