USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=6 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 37 TYR OH : rot 15:sc= 1.09 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 1.21 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0729 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= -0.0601 (180deg=-0.142) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.887 K(o=-0.89,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.942 K(o=-0.94,f=-1.8) USER MOD Single : A 52 TYR OH : rot -29:sc= 0.86 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.991 -0.573 -0.462 1.00 0.00 N ATOM 34 CA ALA A 3 4.761 -1.319 -0.583 1.00 0.00 C ATOM 35 C ALA A 3 4.641 -1.757 -2.028 1.00 0.00 C ATOM 36 O ALA A 3 5.161 -1.135 -2.947 1.00 0.00 O ATOM 37 CB ALA A 3 3.642 -0.348 -0.214 1.00 0.00 C ATOM 0 HA ALA A 3 4.720 -2.200 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.681 -0.856 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.789 0.006 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.656 0.501 -0.898 1.00 0.00 H new ATOM 43 N ILE A 4 3.908 -2.878 -2.141 1.00 0.00 N ATOM 44 CA ILE A 4 3.749 -3.488 -3.437 1.00 0.00 C ATOM 45 C ILE A 4 2.387 -4.170 -3.479 1.00 0.00 C ATOM 46 O ILE A 4 2.084 -5.054 -2.684 1.00 0.00 O ATOM 47 CB ILE A 4 4.846 -4.575 -3.536 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.279 -3.989 -3.516 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.657 -5.499 -4.756 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.388 -5.031 -3.704 1.00 0.00 C ATOM 0 H ILE A 4 3.438 -3.353 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 4 3.824 -2.761 -4.245 1.00 0.00 H new ATOM 0 HB ILE A 4 4.728 -5.181 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.364 -3.239 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.436 -3.475 -2.568 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.454 -6.242 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.693 -6.003 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.690 -4.906 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.359 -4.537 -3.677 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.334 -5.769 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.260 -5.529 -4.665 1.00 0.00 H new ATOM 62 N ALA A 5 1.589 -3.705 -4.455 1.00 0.00 N ATOM 63 CA ALA A 5 0.300 -4.342 -4.637 1.00 0.00 C ATOM 64 C ALA A 5 0.535 -5.777 -5.184 1.00 0.00 C ATOM 65 O ALA A 5 1.278 -5.975 -6.138 1.00 0.00 O ATOM 66 CB ALA A 5 -0.464 -3.532 -5.670 1.00 0.00 C ATOM 0 H ALA A 5 1.805 -2.936 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.255 -4.393 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.443 -3.982 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.590 -2.511 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.092 -3.521 -6.607 1.00 0.00 H new ATOM 72 N LYS A 6 -0.173 -6.739 -4.586 1.00 0.00 N ATOM 73 CA LYS A 6 -0.118 -8.154 -4.951 1.00 0.00 C ATOM 74 C LYS A 6 -1.216 -8.548 -5.949 1.00 0.00 C ATOM 75 O LYS A 6 -1.116 -9.555 -6.633 1.00 0.00 O ATOM 76 CB LYS A 6 -0.376 -8.973 -3.686 1.00 0.00 C ATOM 77 CG LYS A 6 0.701 -8.773 -2.627 1.00 0.00 C ATOM 78 CD LYS A 6 1.299 -10.099 -2.140 1.00 0.00 C ATOM 79 CE LYS A 6 0.459 -10.791 -1.063 1.00 0.00 C ATOM 80 NZ LYS A 6 1.274 -11.733 -0.302 1.00 0.00 N ATOM 0 H LYS A 6 -0.815 -6.549 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 6 0.857 -8.339 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.345 -8.696 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.431 -10.030 -3.947 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.495 -8.148 -3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.277 -8.236 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.410 -10.772 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.299 -9.914 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.033 -10.045 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.376 -11.316 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.687 -12.192 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.660 -12.455 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.056 -11.224 0.157 1.00 0.00 H new ATOM 94 N TYR A 7 -2.280 -7.717 -5.949 1.00 0.00 N ATOM 95 CA TYR A 7 -3.424 -7.970 -6.834 1.00 0.00 C ATOM 96 C TYR A 7 -3.941 -6.627 -7.350 1.00 0.00 C ATOM 97 O TYR A 7 -3.523 -5.562 -6.910 1.00 0.00 O ATOM 98 CB TYR A 7 -4.564 -8.678 -6.065 1.00 0.00 C ATOM 99 CG TYR A 7 -4.201 -10.078 -5.664 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.487 -10.329 -4.497 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.555 -11.141 -6.490 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.065 -11.626 -4.203 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.186 -12.445 -6.186 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.430 -12.704 -5.032 1.00 0.00 C ATOM 105 OH TYR A 7 -3.030 -14.003 -4.730 1.00 0.00 O ATOM 0 H TYR A 7 -2.366 -6.888 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.105 -8.610 -7.657 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.811 -8.100 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.458 -8.702 -6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.259 -9.520 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.128 -10.948 -7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.453 -11.805 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.480 -13.257 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.374 -14.618 -5.411 1.00 0.00 H new ATOM 115 N ASP A 8 -4.860 -6.749 -8.335 1.00 0.00 N ATOM 116 CA ASP A 8 -5.462 -5.547 -8.914 1.00 0.00 C ATOM 117 C ASP A 8 -6.427 -4.959 -7.885 1.00 0.00 C ATOM 118 O ASP A 8 -6.915 -5.689 -7.047 1.00 0.00 O ATOM 119 CB ASP A 8 -6.209 -5.877 -10.212 1.00 0.00 C ATOM 120 CG ASP A 8 -5.232 -6.380 -11.282 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.432 -5.576 -11.761 1.00 0.00 O ATOM 122 OD2 ASP A 8 -5.284 -7.563 -11.622 1.00 0.00 O ATOM 0 H ASP A 8 -5.185 -7.633 -8.727 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.681 -4.827 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.968 -6.635 -10.019 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.729 -4.990 -10.574 1.00 0.00 H new ATOM 127 N PHE A 9 -6.598 -3.626 -7.890 1.00 0.00 N ATOM 128 CA PHE A 9 -7.589 -3.058 -6.955 1.00 0.00 C ATOM 129 C PHE A 9 -8.253 -1.845 -7.596 1.00 0.00 C ATOM 130 O PHE A 9 -7.616 -0.991 -8.199 1.00 0.00 O ATOM 131 CB PHE A 9 -6.995 -2.721 -5.577 1.00 0.00 C ATOM 132 CG PHE A 9 -8.047 -2.507 -4.512 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.805 -3.606 -4.130 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.344 -1.262 -3.938 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.854 -3.480 -3.241 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.404 -1.133 -3.030 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.159 -2.257 -2.681 1.00 0.00 C ATOM 0 H PHE A 9 -6.104 -2.960 -8.484 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.343 -3.822 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.332 -3.529 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.384 -1.822 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.569 -4.579 -4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.752 -0.397 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.442 -4.348 -2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.637 -0.169 -2.602 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.974 -2.168 -1.979 1.00 0.00 H new ATOM 147 N LYS A 10 -9.591 -1.864 -7.431 1.00 0.00 N ATOM 148 CA LYS A 10 -10.456 -0.830 -7.968 1.00 0.00 C ATOM 149 C LYS A 10 -11.277 -0.176 -6.813 1.00 0.00 C ATOM 150 O LYS A 10 -12.293 -0.726 -6.394 1.00 0.00 O ATOM 151 CB LYS A 10 -11.373 -1.498 -9.005 1.00 0.00 C ATOM 152 CG LYS A 10 -12.111 -0.458 -9.854 1.00 0.00 C ATOM 153 CD LYS A 10 -11.372 -0.111 -11.170 1.00 0.00 C ATOM 154 CE LYS A 10 -11.957 -0.795 -12.418 1.00 0.00 C ATOM 155 NZ LYS A 10 -13.122 -0.086 -12.949 1.00 0.00 N ATOM 0 H LYS A 10 -10.086 -2.597 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.881 -0.035 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.781 -2.144 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.097 -2.134 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.107 -0.832 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.244 0.452 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.398 0.969 -11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.324 -0.394 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.189 -0.855 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.240 -1.818 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.479 -0.585 -13.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.867 -0.050 -12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.849 0.882 -13.212 1.00 0.00 H new ATOM 169 N ALA A 11 -10.822 1.030 -6.373 1.00 0.00 N ATOM 170 CA ALA A 11 -11.479 1.767 -5.277 1.00 0.00 C ATOM 171 C ALA A 11 -13.005 1.874 -5.453 1.00 0.00 C ATOM 172 O ALA A 11 -13.538 1.850 -6.559 1.00 0.00 O ATOM 173 CB ALA A 11 -10.909 3.171 -5.111 1.00 0.00 C ATOM 0 H ALA A 11 -10.007 1.503 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.274 1.180 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.422 3.678 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.844 3.107 -4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.053 3.734 -6.033 1.00 0.00 H new ATOM 179 N THR A 12 -13.642 1.989 -4.265 1.00 0.00 N ATOM 180 CA THR A 12 -15.094 2.052 -4.193 1.00 0.00 C ATOM 181 C THR A 12 -15.611 3.358 -3.579 1.00 0.00 C ATOM 182 O THR A 12 -16.799 3.661 -3.651 1.00 0.00 O ATOM 183 CB THR A 12 -15.590 0.879 -3.290 1.00 0.00 C ATOM 184 OG1 THR A 12 -15.623 1.069 -1.844 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.877 -0.443 -3.697 1.00 0.00 C ATOM 0 H THR A 12 -13.169 2.038 -3.363 1.00 0.00 H new ATOM 0 HA THR A 12 -15.471 1.989 -5.214 1.00 0.00 H new ATOM 0 HB THR A 12 -16.658 0.834 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.956 0.253 -1.414 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.229 -1.256 -3.062 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.102 -0.672 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.800 -0.328 -3.576 1.00 0.00 H new ATOM 193 N ALA A 13 -14.661 4.117 -2.982 1.00 0.00 N ATOM 194 CA ALA A 13 -15.061 5.366 -2.333 1.00 0.00 C ATOM 195 C ALA A 13 -13.905 6.374 -2.366 1.00 0.00 C ATOM 196 O ALA A 13 -12.746 6.059 -2.590 1.00 0.00 O ATOM 197 CB ALA A 13 -15.542 5.105 -0.890 1.00 0.00 C ATOM 0 H ALA A 13 -13.666 3.895 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.899 5.794 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.834 6.048 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.397 4.429 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.735 4.653 -0.314 1.00 0.00 H new ATOM 203 N ASP A 14 -14.357 7.610 -2.108 1.00 0.00 N ATOM 204 CA ASP A 14 -13.574 8.835 -2.086 1.00 0.00 C ATOM 205 C ASP A 14 -12.266 8.772 -1.255 1.00 0.00 C ATOM 206 O ASP A 14 -11.272 9.399 -1.600 1.00 0.00 O ATOM 207 CB ASP A 14 -14.543 9.874 -1.500 1.00 0.00 C ATOM 208 CG ASP A 14 -13.963 11.301 -1.468 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.415 11.739 -2.478 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.069 11.960 -0.434 1.00 0.00 O ATOM 0 H ASP A 14 -15.340 7.782 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.212 9.065 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.461 9.876 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.814 9.577 -0.487 1.00 0.00 H new ATOM 215 N ASP A 15 -12.303 7.950 -0.184 1.00 0.00 N ATOM 216 CA ASP A 15 -11.132 7.883 0.693 1.00 0.00 C ATOM 217 C ASP A 15 -10.093 6.801 0.315 1.00 0.00 C ATOM 218 O ASP A 15 -8.998 6.758 0.855 1.00 0.00 O ATOM 219 CB ASP A 15 -11.710 7.608 2.090 1.00 0.00 C ATOM 220 CG ASP A 15 -12.445 6.256 2.288 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.435 5.410 1.394 1.00 0.00 O ATOM 222 OD2 ASP A 15 -13.031 6.069 3.352 1.00 0.00 O ATOM 0 H ASP A 15 -13.089 7.356 0.079 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.569 8.813 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.895 7.661 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.405 8.412 2.335 1.00 0.00 H new ATOM 227 N GLU A 16 -10.470 6.028 -0.714 1.00 0.00 N ATOM 228 CA GLU A 16 -9.659 4.935 -1.237 1.00 0.00 C ATOM 229 C GLU A 16 -9.138 5.357 -2.621 1.00 0.00 C ATOM 230 O GLU A 16 -9.712 6.183 -3.310 1.00 0.00 O ATOM 231 CB GLU A 16 -10.538 3.674 -1.406 1.00 0.00 C ATOM 232 CG GLU A 16 -10.608 2.797 -0.142 1.00 0.00 C ATOM 233 CD GLU A 16 -11.686 1.691 -0.254 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.725 0.997 -1.273 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.468 1.530 0.685 1.00 0.00 O ATOM 0 H GLU A 16 -11.355 6.150 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.836 4.717 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.547 3.979 -1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.148 3.077 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.635 2.337 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.824 3.425 0.722 1.00 0.00 H new ATOM 242 N LEU A 17 -8.033 4.659 -2.972 1.00 0.00 N ATOM 243 CA LEU A 17 -7.418 4.908 -4.283 1.00 0.00 C ATOM 244 C LEU A 17 -7.122 3.533 -4.948 1.00 0.00 C ATOM 245 O LEU A 17 -6.892 2.522 -4.302 1.00 0.00 O ATOM 246 CB LEU A 17 -6.182 5.829 -4.163 1.00 0.00 C ATOM 247 CG LEU A 17 -4.826 5.142 -3.886 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.034 5.063 -5.185 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.948 5.890 -2.887 1.00 0.00 C ATOM 0 H LEU A 17 -7.573 3.955 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.101 5.456 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.092 6.399 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.369 6.546 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.067 4.164 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.075 4.579 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.595 4.484 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.864 6.069 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.014 5.346 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.732 6.888 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.470 5.971 -1.933 1.00 0.00 H new ATOM 261 N SER A 18 -7.133 3.598 -6.300 1.00 0.00 N ATOM 262 CA SER A 18 -6.920 2.422 -7.150 1.00 0.00 C ATOM 263 C SER A 18 -5.425 2.097 -7.351 1.00 0.00 C ATOM 264 O SER A 18 -4.524 2.876 -7.078 1.00 0.00 O ATOM 265 CB SER A 18 -7.508 2.746 -8.560 1.00 0.00 C ATOM 266 OG SER A 18 -9.002 2.601 -8.450 1.00 0.00 O ATOM 0 H SER A 18 -7.289 4.462 -6.820 1.00 0.00 H new ATOM 0 HA SER A 18 -7.397 1.570 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.239 3.756 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.108 2.066 -9.312 1.00 0.00 H new ATOM 0 HG SER A 18 -9.414 2.798 -9.317 1.00 0.00 H new ATOM 272 N PHE A 19 -5.261 0.864 -7.870 1.00 0.00 N ATOM 273 CA PHE A 19 -3.955 0.388 -8.308 1.00 0.00 C ATOM 274 C PHE A 19 -4.181 -0.833 -9.193 1.00 0.00 C ATOM 275 O PHE A 19 -5.296 -1.190 -9.549 1.00 0.00 O ATOM 276 CB PHE A 19 -2.989 0.076 -7.145 1.00 0.00 C ATOM 277 CG PHE A 19 -3.519 -0.804 -6.028 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.154 -0.240 -4.925 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.341 -2.188 -6.037 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.586 -1.022 -3.863 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.757 -2.967 -4.965 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.376 -2.391 -3.871 1.00 0.00 C ATOM 0 H PHE A 19 -6.018 0.191 -7.991 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.462 1.184 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.101 -0.401 -7.560 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.668 1.022 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.314 0.828 -4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.874 -2.660 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.089 -0.561 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.595 -4.035 -4.986 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.691 -2.999 -3.036 1.00 0.00 H new ATOM 292 N LYS A 20 -3.036 -1.408 -9.565 1.00 0.00 N ATOM 293 CA LYS A 20 -3.024 -2.588 -10.401 1.00 0.00 C ATOM 294 C LYS A 20 -1.933 -3.467 -9.820 1.00 0.00 C ATOM 295 O LYS A 20 -0.944 -2.967 -9.298 1.00 0.00 O ATOM 296 CB LYS A 20 -2.753 -2.251 -11.884 1.00 0.00 C ATOM 297 CG LYS A 20 -3.591 -1.085 -12.446 1.00 0.00 C ATOM 298 CD LYS A 20 -2.862 0.265 -12.314 1.00 0.00 C ATOM 299 CE LYS A 20 -3.666 1.492 -12.761 1.00 0.00 C ATOM 300 NZ LYS A 20 -5.085 1.422 -12.426 1.00 0.00 N ATOM 0 H LYS A 20 -2.112 -1.069 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.994 -3.085 -10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.696 -2.009 -12.000 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.944 -3.140 -12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.817 -1.274 -13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.544 -1.036 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.571 0.402 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.943 0.221 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.237 2.383 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.562 1.609 -13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.540 2.330 -12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.535 0.664 -12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.193 1.222 -11.411 1.00 0.00 H new ATOM 314 N ARG A 21 -2.168 -4.783 -9.932 1.00 0.00 N ATOM 315 CA ARG A 21 -1.208 -5.769 -9.435 1.00 0.00 C ATOM 316 C ARG A 21 0.249 -5.455 -9.867 1.00 0.00 C ATOM 317 O ARG A 21 0.663 -5.748 -10.982 1.00 0.00 O ATOM 318 CB ARG A 21 -1.632 -7.146 -9.973 1.00 0.00 C ATOM 319 CG ARG A 21 -0.658 -8.273 -9.584 1.00 0.00 C ATOM 320 CD ARG A 21 0.205 -8.755 -10.764 1.00 0.00 C ATOM 321 NE ARG A 21 1.589 -8.953 -10.345 1.00 0.00 N ATOM 322 CZ ARG A 21 2.492 -9.585 -11.124 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.137 -10.152 -12.271 1.00 0.00 N ATOM 324 NH2 ARG A 21 3.760 -9.635 -10.743 1.00 0.00 N ATOM 0 H ARG A 21 -3.005 -5.182 -10.357 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.216 -5.747 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.626 -7.387 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.707 -7.098 -11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.006 -7.923 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.225 -9.115 -9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.198 -9.688 -11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.166 -8.024 -11.572 1.00 0.00 H new ATOM 0 HE ARG A 21 1.883 -8.602 -9.434 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.165 -10.115 -12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.836 -10.624 -12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.047 -9.198 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.449 -10.111 -11.326 1.00 0.00 H new ATOM 338 N GLY A 22 0.998 -4.871 -8.904 1.00 0.00 N ATOM 339 CA GLY A 22 2.395 -4.543 -9.131 1.00 0.00 C ATOM 340 C GLY A 22 2.799 -3.112 -8.776 1.00 0.00 C ATOM 341 O GLY A 22 3.988 -2.880 -8.592 1.00 0.00 O ATOM 0 H GLY A 22 0.649 -4.626 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.011 -5.231 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.625 -4.717 -10.182 1.00 0.00 H new ATOM 345 N ASP A 23 1.822 -2.163 -8.666 1.00 0.00 N ATOM 346 CA ASP A 23 2.214 -0.781 -8.378 1.00 0.00 C ATOM 347 C ASP A 23 3.220 -0.630 -7.220 1.00 0.00 C ATOM 348 O ASP A 23 3.207 -1.358 -6.234 1.00 0.00 O ATOM 349 CB ASP A 23 1.007 0.148 -8.134 1.00 0.00 C ATOM 350 CG ASP A 23 0.277 0.603 -9.426 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.872 0.587 -10.504 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.885 0.989 -9.335 1.00 0.00 O ATOM 0 H ASP A 23 0.821 -2.329 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 23 2.723 -0.470 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.293 -0.365 -7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.347 1.031 -7.593 1.00 0.00 H new ATOM 357 N ILE A 24 4.016 0.446 -7.393 1.00 0.00 N ATOM 358 CA ILE A 24 5.033 0.841 -6.425 1.00 0.00 C ATOM 359 C ILE A 24 4.335 1.932 -5.594 1.00 0.00 C ATOM 360 O ILE A 24 4.067 3.024 -6.082 1.00 0.00 O ATOM 361 CB ILE A 24 6.302 1.369 -7.143 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.670 0.568 -8.416 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.507 1.477 -6.196 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.625 -0.966 -8.301 1.00 0.00 C ATOM 0 H ILE A 24 3.964 1.057 -8.208 1.00 0.00 H new ATOM 0 HA ILE A 24 5.385 0.017 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 24 6.042 2.375 -7.472 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.994 0.870 -9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.675 0.858 -8.722 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.370 1.851 -6.747 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.270 2.163 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.737 0.494 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.902 -1.411 -9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.324 -1.294 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.617 -1.281 -8.033 1.00 0.00 H new ATOM 376 N LEU A 25 4.098 1.581 -4.312 1.00 0.00 N ATOM 377 CA LEU A 25 3.361 2.423 -3.379 1.00 0.00 C ATOM 378 C LEU A 25 4.272 3.029 -2.313 1.00 0.00 C ATOM 379 O LEU A 25 5.239 2.423 -1.862 1.00 0.00 O ATOM 380 CB LEU A 25 2.410 1.445 -2.669 1.00 0.00 C ATOM 381 CG LEU A 25 1.083 1.222 -3.392 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.181 1.153 -4.908 1.00 0.00 C ATOM 383 CD2 LEU A 25 0.359 -0.025 -2.886 1.00 0.00 C ATOM 0 H LEU A 25 4.418 0.702 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 25 2.874 3.246 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.914 0.485 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.205 1.819 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 25 0.509 2.117 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.189 0.993 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.591 2.089 -5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.834 0.328 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.580 -0.146 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.987 -0.901 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.153 0.081 -1.821 1.00 0.00 H new ATOM 395 N LYS A 26 3.861 4.264 -1.941 1.00 0.00 N ATOM 396 CA LYS A 26 4.569 5.026 -0.923 1.00 0.00 C ATOM 397 C LYS A 26 3.754 4.944 0.362 1.00 0.00 C ATOM 398 O LYS A 26 2.699 5.540 0.437 1.00 0.00 O ATOM 399 CB LYS A 26 4.779 6.468 -1.410 1.00 0.00 C ATOM 400 CG LYS A 26 6.180 6.968 -1.044 1.00 0.00 C ATOM 401 CD LYS A 26 6.266 8.491 -0.948 1.00 0.00 C ATOM 402 CE LYS A 26 7.141 8.939 0.223 1.00 0.00 C ATOM 403 NZ LYS A 26 8.562 8.876 -0.097 1.00 0.00 N ATOM 0 H LYS A 26 3.048 4.738 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 26 5.562 4.621 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.642 6.515 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.028 7.120 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.477 6.532 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.892 6.616 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.671 8.891 -1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.264 8.905 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.878 9.959 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.937 8.309 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.117 9.188 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.821 7.898 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.763 9.497 -0.907 1.00 0.00 H new ATOM 417 N VAL A 27 4.280 4.261 1.403 1.00 0.00 N ATOM 418 CA VAL A 27 3.382 4.149 2.559 1.00 0.00 C ATOM 419 C VAL A 27 3.541 5.355 3.497 1.00 0.00 C ATOM 420 O VAL A 27 4.430 5.407 4.337 1.00 0.00 O ATOM 421 CB VAL A 27 3.663 2.815 3.305 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.588 2.503 4.334 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.778 1.658 2.317 1.00 0.00 C ATOM 0 H VAL A 27 5.202 3.830 1.468 1.00 0.00 H new ATOM 0 HA VAL A 27 2.350 4.146 2.210 1.00 0.00 H new ATOM 0 HB VAL A 27 4.610 2.938 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.823 1.562 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.547 3.304 5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.622 2.418 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.975 0.734 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.846 1.560 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.596 1.852 1.623 1.00 0.00 H new ATOM 433 N LEU A 28 2.574 6.292 3.324 1.00 0.00 N ATOM 434 CA LEU A 28 2.531 7.482 4.177 1.00 0.00 C ATOM 435 C LEU A 28 1.570 7.144 5.328 1.00 0.00 C ATOM 436 O LEU A 28 0.382 7.416 5.255 1.00 0.00 O ATOM 437 CB LEU A 28 1.994 8.686 3.366 1.00 0.00 C ATOM 438 CG LEU A 28 3.080 9.481 2.613 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.795 10.486 3.528 1.00 0.00 C ATOM 440 CD2 LEU A 28 4.094 8.576 1.906 1.00 0.00 C ATOM 0 H LEU A 28 1.838 6.241 2.619 1.00 0.00 H new ATOM 0 HA LEU A 28 3.519 7.749 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.260 8.325 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.471 9.361 4.044 1.00 0.00 H new ATOM 0 HG LEU A 28 2.555 10.042 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.552 11.024 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.069 11.195 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.272 9.953 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.834 9.190 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.593 7.945 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.577 7.948 1.180 1.00 0.00 H new ATOM 536 N ASN A 35 -6.205 -3.379 8.731 1.00 0.00 N ATOM 537 CA ASN A 35 -6.658 -3.921 7.474 1.00 0.00 C ATOM 538 C ASN A 35 -6.456 -2.980 6.285 1.00 0.00 C ATOM 539 O ASN A 35 -6.699 -3.402 5.169 1.00 0.00 O ATOM 540 CB ASN A 35 -8.130 -4.279 7.642 1.00 0.00 C ATOM 541 CG ASN A 35 -8.304 -5.697 8.213 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.418 -6.540 8.147 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.513 -5.908 8.744 1.00 0.00 N ATOM 0 HA ASN A 35 -6.056 -4.798 7.237 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.608 -3.558 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.635 -4.209 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.748 -6.822 9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.200 -5.155 8.763 1.00 0.00 H new ATOM 550 N TRP A 36 -6.173 -1.689 6.554 1.00 0.00 N ATOM 551 CA TRP A 36 -5.962 -0.682 5.519 1.00 0.00 C ATOM 552 C TRP A 36 -4.700 0.137 5.884 1.00 0.00 C ATOM 553 O TRP A 36 -4.252 0.141 7.022 1.00 0.00 O ATOM 554 CB TRP A 36 -7.223 0.209 5.356 1.00 0.00 C ATOM 555 CG TRP A 36 -8.435 -0.624 4.951 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.199 -1.417 5.820 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.995 -0.818 3.629 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.140 -2.076 5.116 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.050 -1.747 3.775 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.706 -0.316 2.387 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.772 -2.148 2.694 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.451 -0.709 1.273 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.488 -1.630 1.425 1.00 0.00 C ATOM 0 H TRP A 36 -6.086 -1.324 7.503 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.799 -1.157 4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.430 0.726 6.293 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.036 0.975 4.603 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.055 -1.488 6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.820 -2.724 5.514 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.896 0.389 2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.567 -2.869 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.225 -0.302 0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.068 -1.941 0.569 1.00 0.00 H new ATOM 574 N TYR A 37 -4.101 0.720 4.830 1.00 0.00 N ATOM 575 CA TYR A 37 -2.924 1.593 4.957 1.00 0.00 C ATOM 576 C TYR A 37 -3.127 2.815 4.061 1.00 0.00 C ATOM 577 O TYR A 37 -3.821 2.748 3.058 1.00 0.00 O ATOM 578 CB TYR A 37 -1.627 0.945 4.431 1.00 0.00 C ATOM 579 CG TYR A 37 -1.187 -0.256 5.210 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.153 -0.214 6.595 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.801 -1.419 4.556 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.776 -1.325 7.329 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.404 -2.542 5.271 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.385 -2.498 6.678 1.00 0.00 C ATOM 585 OH TYR A 37 0.030 -3.584 7.444 1.00 0.00 O ATOM 0 H TYR A 37 -4.420 0.598 3.869 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.828 1.818 6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.773 0.657 3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.829 1.688 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.424 0.697 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.810 -1.451 3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.784 -1.285 8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.112 -3.442 4.751 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.235 -3.447 8.377 1.00 0.00 H new ATOM 595 N LYS A 38 -2.462 3.913 4.469 1.00 0.00 N ATOM 596 CA LYS A 38 -2.512 5.145 3.699 1.00 0.00 C ATOM 597 C LYS A 38 -1.199 5.213 2.895 1.00 0.00 C ATOM 598 O LYS A 38 -0.114 5.157 3.460 1.00 0.00 O ATOM 599 CB LYS A 38 -2.702 6.337 4.631 1.00 0.00 C ATOM 600 CG LYS A 38 -2.775 7.640 3.829 1.00 0.00 C ATOM 601 CD LYS A 38 -3.705 8.660 4.472 1.00 0.00 C ATOM 602 CE LYS A 38 -5.184 8.245 4.419 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.078 9.354 4.092 1.00 0.00 N ATOM 0 H LYS A 38 -1.895 3.961 5.316 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.358 5.169 3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.615 6.209 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.876 6.386 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.776 8.067 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.120 7.423 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.412 8.806 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.585 9.620 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.308 7.456 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.472 7.825 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.060 9.013 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.985 10.099 4.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.825 9.740 3.160 1.00 0.00 H new ATOM 617 N ALA A 39 -1.353 5.326 1.557 1.00 0.00 N ATOM 618 CA ALA A 39 -0.179 5.359 0.683 1.00 0.00 C ATOM 619 C ALA A 39 -0.366 6.333 -0.475 1.00 0.00 C ATOM 620 O ALA A 39 -1.447 6.880 -0.646 1.00 0.00 O ATOM 621 CB ALA A 39 0.113 3.942 0.179 1.00 0.00 C ATOM 0 H ALA A 39 -2.251 5.393 1.079 1.00 0.00 H new ATOM 0 HA ALA A 39 0.676 5.719 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.987 3.960 -0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.307 3.287 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.747 3.569 -0.378 1.00 0.00 H new ATOM 627 N GLU A 40 0.740 6.524 -1.255 1.00 0.00 N ATOM 628 CA GLU A 40 0.660 7.439 -2.387 1.00 0.00 C ATOM 629 C GLU A 40 0.985 6.713 -3.712 1.00 0.00 C ATOM 630 O GLU A 40 1.951 5.957 -3.845 1.00 0.00 O ATOM 631 CB GLU A 40 1.587 8.638 -2.134 1.00 0.00 C ATOM 632 CG GLU A 40 1.280 9.830 -3.059 1.00 0.00 C ATOM 633 CD GLU A 40 2.281 10.987 -2.892 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.871 11.123 -1.819 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.457 11.742 -3.847 1.00 0.00 O ATOM 0 H GLU A 40 1.644 6.073 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.360 7.811 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.490 8.955 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.622 8.329 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.291 9.492 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.273 10.194 -2.853 1.00 0.00 H new ATOM 642 N LEU A 41 0.118 7.082 -4.668 1.00 0.00 N ATOM 643 CA LEU A 41 0.108 6.637 -6.065 1.00 0.00 C ATOM 644 C LEU A 41 -0.662 7.551 -6.986 1.00 0.00 C ATOM 645 O LEU A 41 -1.736 8.074 -6.683 1.00 0.00 O ATOM 646 CB LEU A 41 -0.657 5.315 -6.313 1.00 0.00 C ATOM 647 CG LEU A 41 0.048 3.997 -6.214 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.056 2.929 -6.221 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.933 3.842 -7.464 1.00 0.00 C ATOM 0 H LEU A 41 -0.638 7.738 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 41 1.179 6.578 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.489 5.288 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.087 5.375 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 41 0.669 3.912 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.605 1.939 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.720 3.086 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.627 3.003 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.461 2.889 -7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.309 3.871 -8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.657 4.656 -7.501 1.00 0.00 H new ATOM 661 N ASN A 42 -0.022 7.625 -8.169 1.00 0.00 N ATOM 662 CA ASN A 42 -0.625 8.282 -9.314 1.00 0.00 C ATOM 663 C ASN A 42 -1.032 9.759 -9.100 1.00 0.00 C ATOM 664 O ASN A 42 -1.918 10.272 -9.774 1.00 0.00 O ATOM 665 CB ASN A 42 -1.774 7.307 -9.707 1.00 0.00 C ATOM 666 CG ASN A 42 -1.795 6.981 -11.199 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.229 7.755 -12.040 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.279 5.764 -11.443 1.00 0.00 N ATOM 0 H ASN A 42 0.905 7.237 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 42 0.082 8.432 -10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.668 6.382 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.730 7.747 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.225 5.415 -12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.941 5.189 -10.671 1.00 0.00 H new ATOM 675 N GLY A 43 -0.340 10.401 -8.125 1.00 0.00 N ATOM 676 CA GLY A 43 -0.584 11.808 -7.794 1.00 0.00 C ATOM 677 C GLY A 43 -1.723 12.021 -6.780 1.00 0.00 C ATOM 678 O GLY A 43 -2.232 13.122 -6.617 1.00 0.00 O ATOM 0 H GLY A 43 0.387 9.959 -7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.332 12.241 -7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.819 12.351 -8.709 1.00 0.00 H new ATOM 682 N LYS A 44 -2.098 10.896 -6.135 1.00 0.00 N ATOM 683 CA LYS A 44 -3.154 10.818 -5.141 1.00 0.00 C ATOM 684 C LYS A 44 -2.647 9.996 -3.950 1.00 0.00 C ATOM 685 O LYS A 44 -1.638 9.309 -4.016 1.00 0.00 O ATOM 686 CB LYS A 44 -4.350 10.081 -5.763 1.00 0.00 C ATOM 687 CG LYS A 44 -5.047 10.860 -6.888 1.00 0.00 C ATOM 688 CD LYS A 44 -5.692 9.912 -7.904 1.00 0.00 C ATOM 689 CE LYS A 44 -6.796 9.027 -7.301 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.078 9.220 -7.967 1.00 0.00 N ATOM 0 H LYS A 44 -1.651 9.996 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.444 11.817 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.009 9.123 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.077 9.864 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.809 11.514 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.323 11.500 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.113 10.499 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.920 9.274 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.503 7.980 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.902 9.252 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.793 8.605 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.372 10.213 -7.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.985 8.980 -8.975 1.00 0.00 H new ATOM 704 N ASP A 45 -3.458 10.086 -2.884 1.00 0.00 N ATOM 705 CA ASP A 45 -3.196 9.375 -1.641 1.00 0.00 C ATOM 706 C ASP A 45 -4.550 8.833 -1.112 1.00 0.00 C ATOM 707 O ASP A 45 -5.587 9.479 -1.213 1.00 0.00 O ATOM 708 CB ASP A 45 -2.510 10.306 -0.623 1.00 0.00 C ATOM 709 CG ASP A 45 -3.402 11.487 -0.182 1.00 0.00 C ATOM 710 OD1 ASP A 45 -4.137 11.340 0.797 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.348 12.538 -0.817 1.00 0.00 O ATOM 0 H ASP A 45 -4.306 10.652 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.514 8.541 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.225 9.727 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.591 10.696 -1.059 1.00 0.00 H new ATOM 716 N GLY A 46 -4.480 7.606 -0.558 1.00 0.00 N ATOM 717 CA GLY A 46 -5.719 6.996 -0.061 1.00 0.00 C ATOM 718 C GLY A 46 -5.488 5.633 0.585 1.00 0.00 C ATOM 719 O GLY A 46 -4.382 5.106 0.606 1.00 0.00 O ATOM 0 H GLY A 46 -3.632 7.050 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.182 7.664 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.422 6.887 -0.887 1.00 0.00 H new ATOM 723 N PHE A 47 -6.622 5.091 1.082 1.00 0.00 N ATOM 724 CA PHE A 47 -6.609 3.789 1.736 1.00 0.00 C ATOM 725 C PHE A 47 -6.552 2.643 0.703 1.00 0.00 C ATOM 726 O PHE A 47 -7.146 2.689 -0.369 1.00 0.00 O ATOM 727 CB PHE A 47 -7.881 3.639 2.590 1.00 0.00 C ATOM 728 CG PHE A 47 -7.930 4.654 3.703 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.034 4.603 4.768 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.880 5.668 3.675 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.083 5.562 5.775 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.921 6.633 4.668 1.00 0.00 C ATOM 733 CZ PHE A 47 -8.028 6.577 5.723 1.00 0.00 C ATOM 0 H PHE A 47 -7.538 5.537 1.038 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.720 3.729 2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.760 3.752 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.919 2.635 3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.297 3.815 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.596 5.704 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.385 5.516 6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.650 7.429 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.066 7.322 6.504 1.00 0.00 H new ATOM 743 N ILE A 48 -5.789 1.617 1.140 1.00 0.00 N ATOM 744 CA ILE A 48 -5.583 0.388 0.375 1.00 0.00 C ATOM 745 C ILE A 48 -5.573 -0.769 1.394 1.00 0.00 C ATOM 746 O ILE A 48 -5.020 -0.608 2.469 1.00 0.00 O ATOM 747 CB ILE A 48 -4.279 0.484 -0.440 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.058 0.860 0.430 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.451 1.488 -1.591 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.730 0.735 -0.319 1.00 0.00 C ATOM 0 H ILE A 48 -5.302 1.627 2.036 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.375 0.218 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.079 -0.507 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.173 1.884 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.034 0.218 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.524 1.549 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.258 1.158 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.692 2.470 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.911 1.012 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.595 -0.294 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.737 1.398 -1.184 1.00 0.00 H new ATOM 762 N PRO A 49 -6.133 -1.963 1.047 1.00 0.00 N ATOM 763 CA PRO A 49 -6.194 -3.058 2.021 1.00 0.00 C ATOM 764 C PRO A 49 -4.892 -3.861 2.249 1.00 0.00 C ATOM 765 O PRO A 49 -4.135 -4.105 1.318 1.00 0.00 O ATOM 766 CB PRO A 49 -7.297 -3.977 1.500 1.00 0.00 C ATOM 767 CG PRO A 49 -7.579 -3.567 0.052 1.00 0.00 C ATOM 768 CD PRO A 49 -6.723 -2.345 -0.252 1.00 0.00 C ATOM 0 HA PRO A 49 -6.379 -2.628 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.985 -5.020 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.196 -3.883 2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.340 -4.382 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.636 -3.338 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.950 -2.576 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.323 -1.535 -0.667 1.00 0.00 H new ATOM 776 N LYS A 50 -4.774 -4.402 3.497 1.00 0.00 N ATOM 777 CA LYS A 50 -3.576 -5.188 3.799 1.00 0.00 C ATOM 778 C LYS A 50 -3.522 -6.492 2.985 1.00 0.00 C ATOM 779 O LYS A 50 -2.477 -6.794 2.433 1.00 0.00 O ATOM 780 CB LYS A 50 -3.677 -5.676 5.268 1.00 0.00 C ATOM 781 CG LYS A 50 -2.757 -4.909 6.194 1.00 0.00 C ATOM 782 CD LYS A 50 -2.460 -5.637 7.515 1.00 0.00 C ATOM 783 CE LYS A 50 -1.262 -6.601 7.447 1.00 0.00 C ATOM 784 NZ LYS A 50 -0.170 -6.187 8.322 1.00 0.00 N ATOM 0 H LYS A 50 -5.452 -4.310 4.253 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.716 -4.554 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.706 -5.571 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.432 -6.737 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.817 -4.714 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.205 -3.941 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.272 -4.895 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.346 -6.196 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.588 -7.603 7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.901 -6.657 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.614 -6.865 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.160 -5.242 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.505 -6.158 9.306 1.00 0.00 H new ATOM 798 N ASN A 51 -4.658 -7.217 2.884 1.00 0.00 N ATOM 799 CA ASN A 51 -4.563 -8.483 2.115 1.00 0.00 C ATOM 800 C ASN A 51 -4.278 -8.332 0.592 1.00 0.00 C ATOM 801 O ASN A 51 -3.888 -9.308 -0.035 1.00 0.00 O ATOM 802 CB ASN A 51 -5.671 -9.506 2.442 1.00 0.00 C ATOM 803 CG ASN A 51 -7.129 -9.027 2.387 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.803 -8.949 3.405 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.595 -8.745 1.167 1.00 0.00 N ATOM 0 H ASN A 51 -5.568 -6.983 3.280 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.642 -8.924 2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.568 -10.343 1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.484 -9.893 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.563 -8.446 1.047 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.983 -8.829 0.355 1.00 0.00 H new ATOM 812 N TYR A 52 -4.363 -7.088 0.056 1.00 0.00 N ATOM 813 CA TYR A 52 -4.057 -6.867 -1.366 1.00 0.00 C ATOM 814 C TYR A 52 -2.582 -6.449 -1.554 1.00 0.00 C ATOM 815 O TYR A 52 -2.145 -6.434 -2.691 1.00 0.00 O ATOM 816 CB TYR A 52 -4.979 -5.788 -1.963 1.00 0.00 C ATOM 817 CG TYR A 52 -6.246 -6.396 -2.501 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.157 -7.039 -1.672 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.530 -6.334 -3.857 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.319 -7.620 -2.176 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.668 -6.938 -4.378 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.608 -7.563 -3.547 1.00 0.00 C ATOM 823 OH TYR A 52 -9.789 -8.146 -4.029 1.00 0.00 O ATOM 0 H TYR A 52 -4.633 -6.252 0.574 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.227 -7.808 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.222 -5.050 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.457 -5.261 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.960 -7.090 -0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.857 -5.808 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.003 -8.118 -1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.832 -6.926 -5.445 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.045 -8.893 -3.449 1.00 0.00 H new ATOM 833 N ILE A 53 -1.838 -6.127 -0.459 1.00 0.00 N ATOM 834 CA ILE A 53 -0.410 -5.735 -0.581 1.00 0.00 C ATOM 835 C ILE A 53 0.448 -6.560 0.415 1.00 0.00 C ATOM 836 O ILE A 53 -0.037 -7.259 1.294 1.00 0.00 O ATOM 837 CB ILE A 53 -0.168 -4.185 -0.453 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.101 -3.742 0.332 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.392 -3.436 0.059 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.206 -2.270 0.611 1.00 0.00 C ATOM 0 H ILE A 53 -2.196 -6.131 0.496 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.089 -5.974 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 53 0.025 -3.901 -1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.125 -4.277 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.982 -4.051 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.165 -2.372 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.225 -3.587 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.663 -3.813 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.125 -2.069 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.220 -1.721 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.350 -1.950 1.205 1.00 0.00 H new ATOM 852 N GLU A 54 1.765 -6.393 0.178 1.00 0.00 N ATOM 853 CA GLU A 54 2.859 -6.961 0.948 1.00 0.00 C ATOM 854 C GLU A 54 3.884 -5.819 1.149 1.00 0.00 C ATOM 855 O GLU A 54 4.194 -5.075 0.229 1.00 0.00 O ATOM 856 CB GLU A 54 3.437 -8.132 0.141 1.00 0.00 C ATOM 857 CG GLU A 54 4.719 -8.748 0.723 1.00 0.00 C ATOM 858 CD GLU A 54 4.997 -10.101 0.042 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.636 -10.114 -1.011 1.00 0.00 O ATOM 860 OE2 GLU A 54 4.556 -11.125 0.563 1.00 0.00 O ATOM 0 H GLU A 54 2.098 -5.825 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 54 2.558 -7.346 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.679 -8.911 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.644 -7.789 -0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.561 -8.073 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.612 -8.886 1.799 1.00 0.00 H new ATOM 867 N MET A 55 4.348 -5.694 2.414 1.00 0.00 N ATOM 868 CA MET A 55 5.323 -4.655 2.778 1.00 0.00 C ATOM 869 C MET A 55 6.750 -5.151 2.481 1.00 0.00 C ATOM 870 O MET A 55 7.005 -6.346 2.384 1.00 0.00 O ATOM 871 CB MET A 55 5.209 -4.255 4.258 1.00 0.00 C ATOM 872 CG MET A 55 3.862 -3.622 4.633 1.00 0.00 C ATOM 873 SD MET A 55 3.959 -2.812 6.241 1.00 0.00 S ATOM 874 CE MET A 55 4.320 -1.135 5.687 1.00 0.00 C ATOM 0 H MET A 55 4.063 -6.295 3.187 1.00 0.00 H new ATOM 0 HA MET A 55 5.105 -3.772 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.368 -5.139 4.876 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.008 -3.552 4.496 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.572 -2.897 3.873 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.088 -4.389 4.654 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.417 -0.479 6.552 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.253 -1.131 5.123 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.509 -0.780 5.051 1.00 0.00 H new ATOM 943 N PRO B 2 -9.072 -12.177 -6.788 1.00 0.00 N ATOM 944 CA PRO B 2 -8.272 -11.820 -5.641 1.00 0.00 C ATOM 945 C PRO B 2 -9.033 -12.010 -4.316 1.00 0.00 C ATOM 946 O PRO B 2 -10.245 -12.192 -4.293 1.00 0.00 O ATOM 947 CB PRO B 2 -7.859 -10.366 -5.838 1.00 0.00 C ATOM 948 CG PRO B 2 -8.386 -9.927 -7.199 1.00 0.00 C ATOM 949 CD PRO B 2 -9.283 -11.053 -7.713 1.00 0.00 C ATOM 0 HA PRO B 2 -7.402 -12.473 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.269 -9.739 -5.046 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.775 -10.265 -5.795 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.946 -8.996 -7.114 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.564 -9.743 -7.890 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.329 -10.747 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -9.019 -11.330 -8.734 1.00 0.00 H new ATOM 957 N PRO B 3 -8.240 -11.983 -3.212 1.00 0.00 N ATOM 958 CA PRO B 3 -8.781 -12.115 -1.860 1.00 0.00 C ATOM 959 C PRO B 3 -9.973 -11.192 -1.518 1.00 0.00 C ATOM 960 O PRO B 3 -10.137 -10.124 -2.088 1.00 0.00 O ATOM 961 CB PRO B 3 -7.603 -11.657 -0.978 1.00 0.00 C ATOM 962 CG PRO B 3 -6.319 -11.807 -1.804 1.00 0.00 C ATOM 963 CD PRO B 3 -6.768 -11.964 -3.256 1.00 0.00 C ATOM 0 HA PRO B 3 -9.155 -13.130 -1.725 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.739 -10.622 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.547 -12.259 -0.071 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.676 -10.935 -1.687 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.744 -12.674 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.404 -11.141 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.376 -12.884 -3.691 1.00 0.00 H new ATOM 971 N PRO B 4 -10.786 -11.629 -0.512 1.00 0.00 N ATOM 972 CA PRO B 4 -11.909 -10.816 -0.035 1.00 0.00 C ATOM 973 C PRO B 4 -11.312 -9.623 0.712 1.00 0.00 C ATOM 974 O PRO B 4 -10.492 -9.779 1.608 1.00 0.00 O ATOM 975 CB PRO B 4 -12.667 -11.718 0.944 1.00 0.00 C ATOM 976 CG PRO B 4 -11.680 -12.825 1.339 1.00 0.00 C ATOM 977 CD PRO B 4 -10.633 -12.891 0.218 1.00 0.00 C ATOM 0 HA PRO B 4 -12.564 -10.457 -0.829 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -12.996 -11.157 1.819 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.560 -12.137 0.479 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.210 -12.603 2.297 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.192 -13.781 1.449 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.626 -12.994 0.623 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.804 -13.748 -0.433 1.00 0.00 H new ATOM 985 N VAL B 5 -11.778 -8.435 0.300 1.00 0.00 N ATOM 986 CA VAL B 5 -11.238 -7.225 0.894 1.00 0.00 C ATOM 987 C VAL B 5 -11.797 -7.090 2.322 1.00 0.00 C ATOM 988 O VAL B 5 -12.904 -7.541 2.598 1.00 0.00 O ATOM 989 CB VAL B 5 -11.547 -6.031 0.005 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.790 -4.783 0.417 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.208 -6.242 -1.458 1.00 0.00 C ATOM 0 H VAL B 5 -12.496 -8.297 -0.411 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.152 -7.271 0.971 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.623 -5.913 0.131 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.049 -3.963 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -11.058 -4.516 1.439 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.718 -4.972 0.360 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.459 -5.344 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.142 -6.448 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -11.779 -7.086 -1.846 1.00 0.00 H new ATOM 1001 N PRO B 6 -10.967 -6.535 3.243 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.409 -6.347 4.612 1.00 0.00 C ATOM 1003 C PRO B 6 -12.568 -5.367 4.775 1.00 0.00 C ATOM 1004 O PRO B 6 -12.774 -4.479 3.959 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.201 -5.719 5.316 1.00 0.00 C ATOM 1006 CG PRO B 6 -8.983 -5.928 4.431 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.549 -6.231 3.053 1.00 0.00 C ATOM 0 HA PRO B 6 -11.755 -7.304 5.004 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.370 -4.656 5.488 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.047 -6.179 6.292 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.351 -5.040 4.412 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.367 -6.750 4.795 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.421 -5.379 2.385 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.029 -7.074 2.597 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.281 -5.516 5.923 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.367 -4.592 6.233 1.00 0.00 C ATOM 1017 C PRO B 7 -13.762 -3.192 6.482 1.00 0.00 C ATOM 1018 O PRO B 7 -12.987 -3.005 7.412 1.00 0.00 O ATOM 1019 CB PRO B 7 -14.981 -5.144 7.533 1.00 0.00 C ATOM 1020 CG PRO B 7 -13.995 -6.186 8.086 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.075 -6.564 6.928 1.00 0.00 C ATOM 0 HA PRO B 7 -15.107 -4.506 5.437 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.141 -4.343 8.255 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -15.953 -5.597 7.339 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -13.423 -5.776 8.919 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -14.525 -7.061 8.463 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.034 -6.605 7.248 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.325 -7.547 6.530 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.175 -2.231 5.624 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.653 -0.870 5.779 1.00 0.00 C ATOM 1031 C ARG B 8 -14.521 -0.187 6.836 1.00 0.00 C ATOM 1032 O ARG B 8 -15.671 0.165 6.605 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.595 -0.056 4.468 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.858 -0.839 3.175 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.325 -0.760 2.727 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.606 0.623 2.352 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.727 1.303 2.671 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.785 0.709 3.209 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -16.770 2.606 2.436 1.00 0.00 N ATOM 0 H ARG B 8 -14.834 -2.368 4.858 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.609 -0.923 6.089 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -14.323 0.752 4.534 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.611 0.407 4.395 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.218 -0.451 2.383 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.583 -1.883 3.324 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.503 -1.428 1.884 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.987 -1.079 3.532 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.899 1.114 1.805 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.768 -0.294 3.394 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.616 1.255 3.437 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -15.965 3.076 2.021 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.608 3.139 2.670 1.00 0.00 H new