USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 419 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 22 GLN : amide:sc= 0.908 K(o=2.8,f=1.1) USER MOD Set 1.2: A 26 TYR OH : rot 6:sc= 1.93 USER MOD Set 2.1: A 9 ASN : amide:sc= -0.48 K(o=0.021,f=-24!) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -153:sc= 0.501 (180deg=-2.44!) USER MOD Single : A 1 THR N :NH3+ -99:sc= 0.822 (180deg=0.0904) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.256 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0463 USER MOD Single : A 6 MET CE :methyl -136:sc= 0 (180deg=-0.164) USER MOD Single : A 13 GLN : amide:sc= -0.45 K(o=-0.45,f=-5.4!) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= -0.743! (180deg=-1.31!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 51:sc= 1.18 USER MOD Single : A 31 THR OG1 : rot 55:sc= 1.01 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 54:sc= -1.47! USER MOD Single : A 44 THR OG1 : rot 157:sc= 0.942 USER MOD Single : A 47 TYR OH : rot 30:sc= 0.549 USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 1.54 (180deg=-1.43!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.386 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 9.700 5.862 11.109 1.00 0.00 N ATOM 2 CA THR A 1 8.791 5.116 10.251 1.00 0.00 C ATOM 3 C THR A 1 9.381 4.958 8.839 1.00 0.00 C ATOM 4 O THR A 1 9.781 3.873 8.453 1.00 0.00 O ATOM 5 CB THR A 1 7.406 5.804 10.300 1.00 0.00 C ATOM 6 OG1 THR A 1 7.537 6.864 11.243 1.00 0.00 O ATOM 7 CG2 THR A 1 6.301 4.827 10.737 1.00 0.00 C ATOM 0 H1 THR A 1 10.242 5.200 11.700 1.00 0.00 H new ATOM 0 H2 THR A 1 10.354 6.417 10.522 1.00 0.00 H new ATOM 0 H3 THR A 1 9.154 6.503 11.719 1.00 0.00 H new ATOM 0 HA THR A 1 8.656 4.094 10.606 1.00 0.00 H new ATOM 0 HB THR A 1 7.116 6.166 9.314 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.685 7.343 11.318 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.343 5.347 10.759 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.248 3.999 10.031 1.00 0.00 H new ATOM 0 HG23 THR A 1 6.528 4.442 11.731 1.00 0.00 H new ATOM 17 N ALA A 2 9.439 6.105 8.123 1.00 0.00 N ATOM 18 CA ALA A 2 10.009 6.148 6.773 1.00 0.00 C ATOM 19 C ALA A 2 9.219 5.275 5.774 1.00 0.00 C ATOM 20 O ALA A 2 9.727 4.323 5.198 1.00 0.00 O ATOM 21 CB ALA A 2 11.504 5.787 6.787 1.00 0.00 C ATOM 0 H ALA A 2 9.098 7.004 8.463 1.00 0.00 H new ATOM 0 HA ALA A 2 9.920 7.176 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.898 5.828 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.044 6.497 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.632 4.780 7.185 1.00 0.00 H new ATOM 27 N LEU A 3 7.945 5.679 5.609 1.00 0.00 N ATOM 28 CA LEU A 3 7.030 4.990 4.702 1.00 0.00 C ATOM 29 C LEU A 3 6.697 5.951 3.545 1.00 0.00 C ATOM 30 O LEU A 3 5.630 6.554 3.494 1.00 0.00 O ATOM 31 CB LEU A 3 5.727 4.561 5.421 1.00 0.00 C ATOM 32 CG LEU A 3 5.805 3.260 6.243 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.916 2.008 5.370 1.00 0.00 C ATOM 34 CD2 LEU A 3 6.889 3.269 7.319 1.00 0.00 C ATOM 0 H LEU A 3 7.535 6.477 6.094 1.00 0.00 H new ATOM 0 HA LEU A 3 7.508 4.083 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.419 5.369 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.943 4.448 4.672 1.00 0.00 H new ATOM 0 HG LEU A 3 4.849 3.218 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.967 1.124 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.043 1.938 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.817 2.069 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.879 2.319 7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.864 3.413 6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.699 4.081 8.020 1.00 0.00 H new ATOM 46 N PHE A 4 7.687 6.046 2.632 1.00 0.00 N ATOM 47 CA PHE A 4 7.553 6.882 1.434 1.00 0.00 C ATOM 48 C PHE A 4 6.952 5.941 0.342 1.00 0.00 C ATOM 49 O PHE A 4 6.049 5.186 0.674 1.00 0.00 O ATOM 50 CB PHE A 4 8.929 7.572 1.178 1.00 0.00 C ATOM 51 CG PHE A 4 9.550 8.112 2.442 1.00 0.00 C ATOM 52 CD1 PHE A 4 8.909 9.113 3.167 1.00 0.00 C ATOM 53 CD2 PHE A 4 10.781 7.639 2.890 1.00 0.00 C ATOM 54 CE1 PHE A 4 9.489 9.640 4.313 1.00 0.00 C ATOM 55 CE2 PHE A 4 11.366 8.169 4.033 1.00 0.00 C ATOM 56 CZ PHE A 4 10.722 9.171 4.744 1.00 0.00 C ATOM 0 H PHE A 4 8.578 5.556 2.706 1.00 0.00 H new ATOM 0 HA PHE A 4 6.870 7.730 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.611 6.856 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.796 8.386 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.951 9.483 2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.284 6.854 2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.981 10.414 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.324 7.800 4.369 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.179 9.585 5.631 1.00 0.00 H new ATOM 66 N THR A 5 7.447 5.936 -0.921 1.00 0.00 N ATOM 67 CA THR A 5 6.892 5.047 -1.940 1.00 0.00 C ATOM 68 C THR A 5 7.863 3.893 -2.253 1.00 0.00 C ATOM 69 O THR A 5 7.487 2.759 -2.531 1.00 0.00 O ATOM 70 CB THR A 5 6.693 5.898 -3.189 1.00 0.00 C ATOM 71 OG1 THR A 5 7.948 6.532 -3.426 1.00 0.00 O ATOM 72 CG2 THR A 5 5.589 6.955 -2.983 1.00 0.00 C ATOM 0 H THR A 5 8.213 6.528 -1.242 1.00 0.00 H new ATOM 0 HA THR A 5 5.958 4.604 -1.594 1.00 0.00 H new ATOM 0 HB THR A 5 6.377 5.285 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.884 7.097 -4.224 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.474 7.543 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.647 6.457 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.864 7.612 -2.158 1.00 0.00 H new ATOM 80 N MET A 6 9.139 4.277 -2.148 1.00 0.00 N ATOM 81 CA MET A 6 10.299 3.408 -2.308 1.00 0.00 C ATOM 82 C MET A 6 10.440 2.893 -3.759 1.00 0.00 C ATOM 83 O MET A 6 11.305 3.335 -4.502 1.00 0.00 O ATOM 84 CB MET A 6 10.319 2.279 -1.251 1.00 0.00 C ATOM 85 CG MET A 6 9.815 2.690 0.146 1.00 0.00 C ATOM 86 SD MET A 6 10.106 1.385 1.354 1.00 0.00 S ATOM 87 CE MET A 6 9.315 2.153 2.780 1.00 0.00 C ATOM 0 H MET A 6 9.398 5.242 -1.941 1.00 0.00 H new ATOM 0 HA MET A 6 11.189 4.009 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 6 9.709 1.452 -1.613 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.339 1.906 -1.158 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.320 3.602 0.464 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.749 2.915 0.099 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.946 2.023 3.660 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.174 3.217 2.589 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.347 1.684 2.955 1.00 0.00 H new ATOM 97 N GLY A 7 9.555 1.937 -4.105 1.00 0.00 N ATOM 98 CA GLY A 7 9.562 1.335 -5.439 1.00 0.00 C ATOM 99 C GLY A 7 8.150 1.143 -6.018 1.00 0.00 C ATOM 100 O GLY A 7 7.995 0.733 -7.160 1.00 0.00 O ATOM 0 H GLY A 7 8.835 1.573 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.143 1.965 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.065 0.369 -5.393 1.00 0.00 H new ATOM 104 N GLY A 8 7.137 1.458 -5.181 1.00 0.00 N ATOM 105 CA GLY A 8 5.751 1.370 -5.632 1.00 0.00 C ATOM 106 C GLY A 8 5.403 2.638 -6.451 1.00 0.00 C ATOM 107 O GLY A 8 6.299 3.244 -7.026 1.00 0.00 O ATOM 0 H GLY A 8 7.258 1.767 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.610 0.478 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.082 1.280 -4.776 1.00 0.00 H new ATOM 111 N ASN A 9 4.103 3.035 -6.490 1.00 0.00 N ATOM 112 CA ASN A 9 3.713 4.236 -7.234 1.00 0.00 C ATOM 113 C ASN A 9 3.331 5.325 -6.197 1.00 0.00 C ATOM 114 O ASN A 9 4.151 5.672 -5.356 1.00 0.00 O ATOM 115 CB ASN A 9 2.758 3.882 -8.426 1.00 0.00 C ATOM 116 CG ASN A 9 1.251 3.558 -8.199 1.00 0.00 C ATOM 117 OD1 ASN A 9 0.470 4.444 -7.899 1.00 0.00 O ATOM 118 ND2 ASN A 9 0.773 2.350 -8.517 1.00 0.00 N ATOM 0 H ASN A 9 3.336 2.549 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 9 4.517 4.705 -7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.800 4.719 -9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 9 3.193 3.022 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.233 2.180 -8.506 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.414 1.598 -8.770 1.00 0.00 H new ATOM 125 N ALA A 10 2.094 5.843 -6.283 1.00 0.00 N ATOM 126 CA ALA A 10 1.551 6.870 -5.369 1.00 0.00 C ATOM 127 C ALA A 10 2.075 8.271 -5.694 1.00 0.00 C ATOM 128 O ALA A 10 1.792 9.228 -4.985 1.00 0.00 O ATOM 129 CB ALA A 10 1.818 6.538 -3.903 1.00 0.00 C ATOM 0 H ALA A 10 1.429 5.556 -7.002 1.00 0.00 H new ATOM 0 HA ALA A 10 0.473 6.866 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.400 7.321 -3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.352 5.584 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.893 6.471 -3.735 1.00 0.00 H new ATOM 135 N GLU A 11 2.857 8.343 -6.788 1.00 0.00 N ATOM 136 CA GLU A 11 3.374 9.590 -7.307 1.00 0.00 C ATOM 137 C GLU A 11 4.048 10.467 -6.219 1.00 0.00 C ATOM 138 O GLU A 11 3.969 11.688 -6.224 1.00 0.00 O ATOM 139 CB GLU A 11 2.241 10.256 -8.111 1.00 0.00 C ATOM 140 CG GLU A 11 1.788 9.425 -9.344 1.00 0.00 C ATOM 141 CD GLU A 11 0.911 8.179 -9.052 1.00 0.00 C ATOM 142 OE1 GLU A 11 -0.312 8.297 -9.006 1.00 0.00 O ATOM 143 OE2 GLU A 11 1.433 7.069 -8.915 1.00 0.00 O ATOM 0 H GLU A 11 3.140 7.525 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 11 4.207 9.419 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.385 10.415 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.573 11.239 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.235 10.083 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.678 9.098 -9.881 1.00 0.00 H new ATOM 150 N GLY A 12 4.748 9.742 -5.312 1.00 0.00 N ATOM 151 CA GLY A 12 5.539 10.371 -4.245 1.00 0.00 C ATOM 152 C GLY A 12 4.813 10.439 -2.886 1.00 0.00 C ATOM 153 O GLY A 12 5.418 10.813 -1.890 1.00 0.00 O ATOM 0 H GLY A 12 4.776 8.722 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.470 9.817 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.808 11.381 -4.553 1.00 0.00 H new ATOM 157 N GLN A 13 3.510 10.089 -2.864 1.00 0.00 N ATOM 158 CA GLN A 13 2.788 10.167 -1.589 1.00 0.00 C ATOM 159 C GLN A 13 3.289 9.073 -0.604 1.00 0.00 C ATOM 160 O GLN A 13 3.543 7.945 -1.007 1.00 0.00 O ATOM 161 CB GLN A 13 1.264 10.028 -1.792 1.00 0.00 C ATOM 162 CG GLN A 13 0.593 11.168 -2.590 1.00 0.00 C ATOM 163 CD GLN A 13 0.580 12.501 -1.812 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.198 12.649 -0.768 1.00 0.00 O ATOM 165 NE2 GLN A 13 -0.193 13.453 -2.354 1.00 0.00 N ATOM 0 H GLN A 13 2.967 9.769 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 13 2.989 11.150 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.068 9.086 -2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.789 9.965 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.120 11.306 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.430 10.883 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.686 13.273 -3.229 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.288 14.357 -1.892 1.00 0.00 H new ATOM 174 N PRO A 14 3.411 9.436 0.707 1.00 0.00 N ATOM 175 CA PRO A 14 3.765 8.480 1.757 1.00 0.00 C ATOM 176 C PRO A 14 2.566 7.573 2.078 1.00 0.00 C ATOM 177 O PRO A 14 1.426 7.947 1.832 1.00 0.00 O ATOM 178 CB PRO A 14 4.111 9.369 2.957 1.00 0.00 C ATOM 179 CG PRO A 14 3.277 10.640 2.754 1.00 0.00 C ATOM 180 CD PRO A 14 3.170 10.781 1.232 1.00 0.00 C ATOM 0 HA PRO A 14 4.584 7.818 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.862 8.878 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.177 9.595 2.988 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.294 10.549 3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.760 11.509 3.201 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.187 11.149 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.903 11.491 0.849 1.00 0.00 H new ATOM 188 N CYS A 15 2.881 6.375 2.616 1.00 0.00 N ATOM 189 CA CYS A 15 1.845 5.380 2.930 1.00 0.00 C ATOM 190 C CYS A 15 0.624 5.975 3.660 1.00 0.00 C ATOM 191 O CYS A 15 0.727 6.878 4.482 1.00 0.00 O ATOM 192 CB CYS A 15 2.398 4.320 3.888 1.00 0.00 C ATOM 193 SG CYS A 15 3.479 3.106 3.095 1.00 0.00 S ATOM 0 H CYS A 15 3.832 6.080 2.838 1.00 0.00 H new ATOM 0 HA CYS A 15 1.546 4.975 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.950 4.818 4.685 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.564 3.798 4.357 1.00 0.00 H new ATOM 198 N LYS A 16 -0.529 5.365 3.316 1.00 0.00 N ATOM 199 CA LYS A 16 -1.804 5.739 3.894 1.00 0.00 C ATOM 200 C LYS A 16 -2.250 4.605 4.807 1.00 0.00 C ATOM 201 O LYS A 16 -2.415 3.464 4.402 1.00 0.00 O ATOM 202 CB LYS A 16 -2.841 5.914 2.773 1.00 0.00 C ATOM 203 CG LYS A 16 -4.255 6.322 3.258 1.00 0.00 C ATOM 204 CD LYS A 16 -4.255 7.691 3.948 1.00 0.00 C ATOM 205 CE LYS A 16 -4.486 7.653 5.465 1.00 0.00 C ATOM 206 NZ LYS A 16 -5.655 6.872 5.896 1.00 0.00 N ATOM 0 H LYS A 16 -0.586 4.608 2.635 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.712 6.673 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.479 6.670 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.918 4.979 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.937 6.345 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.632 5.568 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.300 8.179 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.028 8.310 3.493 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.597 7.242 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.598 8.675 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.664 6.804 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.525 7.342 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.604 5.917 5.487 1.00 0.00 H new ATOM 220 N PHE A 17 -2.433 5.020 6.065 1.00 0.00 N ATOM 221 CA PHE A 17 -2.914 4.139 7.113 1.00 0.00 C ATOM 222 C PHE A 17 -4.080 4.902 7.778 1.00 0.00 C ATOM 223 O PHE A 17 -3.976 6.103 8.006 1.00 0.00 O ATOM 224 CB PHE A 17 -1.793 3.838 8.129 1.00 0.00 C ATOM 225 CG PHE A 17 -0.626 3.075 7.545 1.00 0.00 C ATOM 226 CD1 PHE A 17 -0.806 1.875 6.863 1.00 0.00 C ATOM 227 CD2 PHE A 17 0.671 3.545 7.711 1.00 0.00 C ATOM 228 CE1 PHE A 17 0.283 1.154 6.391 1.00 0.00 C ATOM 229 CE2 PHE A 17 1.760 2.827 7.244 1.00 0.00 C ATOM 230 CZ PHE A 17 1.574 1.618 6.592 1.00 0.00 C ATOM 0 H PHE A 17 -2.250 5.974 6.376 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.237 3.174 6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.429 4.778 8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.211 3.266 8.957 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.805 1.500 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.833 4.487 8.213 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.123 0.225 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.759 3.211 7.389 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.422 1.046 6.246 1.00 0.00 H new ATOM 240 N PRO A 18 -5.227 4.225 8.021 1.00 0.00 N ATOM 241 CA PRO A 18 -5.608 2.966 7.394 1.00 0.00 C ATOM 242 C PRO A 18 -5.890 3.238 5.903 1.00 0.00 C ATOM 243 O PRO A 18 -6.246 4.354 5.533 1.00 0.00 O ATOM 244 CB PRO A 18 -6.885 2.551 8.137 1.00 0.00 C ATOM 245 CG PRO A 18 -7.490 3.874 8.616 1.00 0.00 C ATOM 246 CD PRO A 18 -6.277 4.774 8.876 1.00 0.00 C ATOM 0 HA PRO A 18 -4.847 2.188 7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.570 2.014 7.481 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.661 1.890 8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.151 4.305 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.084 3.736 9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.492 5.813 8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.985 4.754 9.926 1.00 0.00 H new ATOM 254 N PHE A 19 -5.713 2.184 5.093 1.00 0.00 N ATOM 255 CA PHE A 19 -6.107 2.220 3.685 1.00 0.00 C ATOM 256 C PHE A 19 -7.141 1.097 3.532 1.00 0.00 C ATOM 257 O PHE A 19 -7.071 0.100 4.240 1.00 0.00 O ATOM 258 CB PHE A 19 -4.949 2.068 2.679 1.00 0.00 C ATOM 259 CG PHE A 19 -4.135 0.776 2.821 1.00 0.00 C ATOM 260 CD1 PHE A 19 -3.207 0.529 3.854 1.00 0.00 C ATOM 261 CD2 PHE A 19 -4.300 -0.210 1.839 1.00 0.00 C ATOM 262 CE1 PHE A 19 -2.422 -0.614 3.846 1.00 0.00 C ATOM 263 CE2 PHE A 19 -3.510 -1.382 1.846 1.00 0.00 C ATOM 264 CZ PHE A 19 -2.562 -1.558 2.841 1.00 0.00 C ATOM 0 H PHE A 19 -5.300 1.300 5.392 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.506 3.205 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.356 2.114 1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.276 2.918 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.107 1.239 4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.041 -0.072 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.695 -0.770 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.644 -2.134 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.930 -2.434 2.833 1.00 0.00 H new ATOM 274 N ARG A 20 -8.109 1.313 2.617 1.00 0.00 N ATOM 275 CA ARG A 20 -9.184 0.343 2.411 1.00 0.00 C ATOM 276 C ARG A 20 -8.930 -0.427 1.099 1.00 0.00 C ATOM 277 O ARG A 20 -8.783 0.178 0.044 1.00 0.00 O ATOM 278 CB ARG A 20 -10.513 1.116 2.351 1.00 0.00 C ATOM 279 CG ARG A 20 -11.759 0.319 2.768 1.00 0.00 C ATOM 280 CD ARG A 20 -12.162 -0.873 1.843 1.00 0.00 C ATOM 281 NE ARG A 20 -11.933 -0.665 0.388 1.00 0.00 N ATOM 282 CZ ARG A 20 -12.465 0.355 -0.315 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.172 1.318 0.257 1.00 0.00 N ATOM 284 NH2 ARG A 20 -12.253 0.399 -1.616 1.00 0.00 N ATOM 0 H ARG A 20 -8.162 2.140 2.022 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.223 -0.381 3.225 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.432 1.994 2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.658 1.478 1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.596 -0.069 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.602 1.008 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.607 -1.757 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.219 -1.089 1.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.340 -1.332 -0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.330 1.305 1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.558 2.073 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.698 -0.328 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.644 1.160 -2.171 1.00 0.00 H new ATOM 298 N PHE A 21 -8.884 -1.771 1.219 1.00 0.00 N ATOM 299 CA PHE A 21 -8.606 -2.651 0.077 1.00 0.00 C ATOM 300 C PHE A 21 -9.399 -3.979 0.240 1.00 0.00 C ATOM 301 O PHE A 21 -9.504 -4.552 1.318 1.00 0.00 O ATOM 302 CB PHE A 21 -7.087 -2.871 0.017 1.00 0.00 C ATOM 303 CG PHE A 21 -6.664 -3.993 -0.891 1.00 0.00 C ATOM 304 CD1 PHE A 21 -7.034 -4.022 -2.227 1.00 0.00 C ATOM 305 CD2 PHE A 21 -5.874 -5.017 -0.394 1.00 0.00 C ATOM 306 CE1 PHE A 21 -6.559 -5.015 -3.076 1.00 0.00 C ATOM 307 CE2 PHE A 21 -5.403 -6.019 -1.227 1.00 0.00 C ATOM 308 CZ PHE A 21 -5.731 -6.012 -2.576 1.00 0.00 C ATOM 0 H PHE A 21 -9.037 -2.265 2.098 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.929 -2.207 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.610 -1.949 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.720 -3.074 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.699 -3.264 -2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.622 -5.034 0.656 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.833 -5.011 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.781 -6.806 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.345 -6.777 -3.233 1.00 0.00 H new ATOM 318 N GLN A 22 -9.990 -4.430 -0.876 1.00 0.00 N ATOM 319 CA GLN A 22 -10.828 -5.632 -0.901 1.00 0.00 C ATOM 320 C GLN A 22 -12.038 -5.523 0.069 1.00 0.00 C ATOM 321 O GLN A 22 -12.629 -6.525 0.448 1.00 0.00 O ATOM 322 CB GLN A 22 -10.077 -6.970 -0.611 1.00 0.00 C ATOM 323 CG GLN A 22 -8.773 -7.249 -1.395 1.00 0.00 C ATOM 324 CD GLN A 22 -7.977 -8.453 -0.828 1.00 0.00 C ATOM 325 OE1 GLN A 22 -7.685 -9.388 -1.558 1.00 0.00 O ATOM 326 NE2 GLN A 22 -7.639 -8.441 0.473 1.00 0.00 N ATOM 0 H GLN A 22 -9.899 -3.972 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.171 -5.674 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.841 -6.998 0.453 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.767 -7.791 -0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.017 -7.440 -2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.143 -6.360 -1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.896 -7.647 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.126 -9.226 0.874 1.00 0.00 H new ATOM 335 N GLY A 23 -12.368 -4.273 0.463 1.00 0.00 N ATOM 336 CA GLY A 23 -13.490 -4.066 1.377 1.00 0.00 C ATOM 337 C GLY A 23 -13.101 -4.069 2.872 1.00 0.00 C ATOM 338 O GLY A 23 -13.967 -3.950 3.728 1.00 0.00 O ATOM 0 H GLY A 23 -11.886 -3.424 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.966 -3.115 1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.232 -4.846 1.205 1.00 0.00 H new ATOM 342 N THR A 24 -11.789 -4.190 3.160 1.00 0.00 N ATOM 343 CA THR A 24 -11.308 -4.194 4.547 1.00 0.00 C ATOM 344 C THR A 24 -10.342 -3.012 4.747 1.00 0.00 C ATOM 345 O THR A 24 -9.840 -2.463 3.777 1.00 0.00 O ATOM 346 CB THR A 24 -10.606 -5.547 4.790 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.297 -6.589 4.130 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.434 -5.895 6.275 1.00 0.00 C ATOM 0 H THR A 24 -11.056 -4.285 2.457 1.00 0.00 H new ATOM 0 HA THR A 24 -12.125 -4.079 5.259 1.00 0.00 H new ATOM 0 HB THR A 24 -9.603 -5.442 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.839 -7.440 4.292 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.933 -6.859 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.834 -5.126 6.762 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.413 -5.947 6.752 1.00 0.00 H new ATOM 356 N SER A 25 -10.102 -2.653 6.026 1.00 0.00 N ATOM 357 CA SER A 25 -9.168 -1.586 6.378 1.00 0.00 C ATOM 358 C SER A 25 -7.868 -2.226 6.899 1.00 0.00 C ATOM 359 O SER A 25 -7.901 -3.184 7.660 1.00 0.00 O ATOM 360 CB SER A 25 -9.813 -0.707 7.458 1.00 0.00 C ATOM 361 OG SER A 25 -11.222 -0.655 7.317 1.00 0.00 O ATOM 0 H SER A 25 -10.550 -3.095 6.829 1.00 0.00 H new ATOM 0 HA SER A 25 -8.935 -0.966 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.560 -1.097 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.404 0.301 7.399 1.00 0.00 H new ATOM 0 HG SER A 25 -11.601 -0.089 8.021 1.00 0.00 H new ATOM 367 N TYR A 26 -6.743 -1.660 6.428 1.00 0.00 N ATOM 368 CA TYR A 26 -5.404 -2.150 6.739 1.00 0.00 C ATOM 369 C TYR A 26 -4.616 -0.972 7.307 1.00 0.00 C ATOM 370 O TYR A 26 -4.585 0.095 6.707 1.00 0.00 O ATOM 371 CB TYR A 26 -4.684 -2.580 5.446 1.00 0.00 C ATOM 372 CG TYR A 26 -5.418 -3.603 4.629 1.00 0.00 C ATOM 373 CD1 TYR A 26 -6.573 -3.223 3.974 1.00 0.00 C ATOM 374 CD2 TYR A 26 -4.973 -4.916 4.482 1.00 0.00 C ATOM 375 CE1 TYR A 26 -7.291 -4.125 3.239 1.00 0.00 C ATOM 376 CE2 TYR A 26 -5.687 -5.821 3.698 1.00 0.00 C ATOM 377 CZ TYR A 26 -6.866 -5.430 3.084 1.00 0.00 C ATOM 378 OH TYR A 26 -7.602 -6.312 2.317 1.00 0.00 O ATOM 0 H TYR A 26 -6.746 -0.844 5.817 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.471 -2.991 7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.514 -1.697 4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.704 -2.979 5.708 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -6.913 -2.200 4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.069 -5.234 4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.211 -3.810 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.321 -6.829 3.569 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.338 -5.832 1.883 1.00 0.00 H new ATOM 388 N ASP A 27 -3.974 -1.229 8.458 1.00 0.00 N ATOM 389 CA ASP A 27 -3.159 -0.211 9.119 1.00 0.00 C ATOM 390 C ASP A 27 -1.704 -0.715 9.211 1.00 0.00 C ATOM 391 O ASP A 27 -0.975 -0.442 10.154 1.00 0.00 O ATOM 392 CB ASP A 27 -3.789 0.077 10.497 1.00 0.00 C ATOM 393 CG ASP A 27 -3.593 1.544 10.912 1.00 0.00 C ATOM 394 OD1 ASP A 27 -4.138 2.414 10.234 1.00 0.00 O ATOM 395 OD2 ASP A 27 -2.915 1.801 11.903 1.00 0.00 O ATOM 0 H ASP A 27 -4.006 -2.126 8.942 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.134 0.724 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.854 -0.154 10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.342 -0.577 11.246 1.00 0.00 H new ATOM 400 N SER A 28 -1.324 -1.508 8.182 1.00 0.00 N ATOM 401 CA SER A 28 0.018 -2.071 8.175 1.00 0.00 C ATOM 402 C SER A 28 0.297 -2.640 6.771 1.00 0.00 C ATOM 403 O SER A 28 -0.606 -2.816 5.960 1.00 0.00 O ATOM 404 CB SER A 28 0.104 -3.170 9.268 1.00 0.00 C ATOM 405 OG SER A 28 -0.900 -4.149 9.066 1.00 0.00 O ATOM 0 H SER A 28 -1.909 -1.756 7.384 1.00 0.00 H new ATOM 0 HA SER A 28 0.770 -1.314 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.088 -3.639 9.244 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.011 -2.720 10.254 1.00 0.00 H new ATOM 0 HG SER A 28 -0.832 -4.836 9.762 1.00 0.00 H new ATOM 411 N CYS A 29 1.598 -2.919 6.572 1.00 0.00 N ATOM 412 CA CYS A 29 2.158 -3.501 5.352 1.00 0.00 C ATOM 413 C CYS A 29 1.434 -4.819 4.912 1.00 0.00 C ATOM 414 O CYS A 29 1.466 -5.806 5.645 1.00 0.00 O ATOM 415 CB CYS A 29 3.601 -3.836 5.753 1.00 0.00 C ATOM 416 SG CYS A 29 4.554 -2.445 6.414 1.00 0.00 S ATOM 0 H CYS A 29 2.306 -2.737 7.283 1.00 0.00 H new ATOM 0 HA CYS A 29 2.059 -2.816 4.510 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.580 -4.630 6.500 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.122 -4.232 4.881 1.00 0.00 H new ATOM 421 N THR A 30 0.813 -4.827 3.701 1.00 0.00 N ATOM 422 CA THR A 30 0.089 -6.012 3.207 1.00 0.00 C ATOM 423 C THR A 30 0.838 -6.649 2.009 1.00 0.00 C ATOM 424 O THR A 30 1.562 -5.979 1.289 1.00 0.00 O ATOM 425 CB THR A 30 -1.353 -5.600 2.802 1.00 0.00 C ATOM 426 OG1 THR A 30 -2.166 -6.699 2.438 1.00 0.00 O ATOM 427 CG2 THR A 30 -1.409 -4.725 1.541 1.00 0.00 C ATOM 0 H THR A 30 0.804 -4.032 3.062 1.00 0.00 H new ATOM 0 HA THR A 30 0.037 -6.759 3.999 1.00 0.00 H new ATOM 0 HB THR A 30 -1.700 -5.083 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.115 -7.388 3.133 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.446 -4.475 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.843 -3.809 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.978 -5.269 0.701 1.00 0.00 H new ATOM 435 N THR A 31 0.595 -7.961 1.817 1.00 0.00 N ATOM 436 CA THR A 31 1.103 -8.706 0.654 1.00 0.00 C ATOM 437 C THR A 31 -0.082 -9.270 -0.142 1.00 0.00 C ATOM 438 O THR A 31 0.064 -10.092 -1.038 1.00 0.00 O ATOM 439 CB THR A 31 1.956 -9.907 1.125 1.00 0.00 C ATOM 440 OG1 THR A 31 1.586 -10.295 2.447 1.00 0.00 O ATOM 441 CG2 THR A 31 3.445 -9.565 1.062 1.00 0.00 C ATOM 0 H THR A 31 0.044 -8.529 2.461 1.00 0.00 H new ATOM 0 HA THR A 31 1.702 -8.030 0.044 1.00 0.00 H new ATOM 0 HB THR A 31 1.768 -10.746 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.623 -10.474 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.030 -10.422 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.718 -9.318 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.650 -8.711 1.708 1.00 0.00 H new ATOM 449 N GLU A 32 -1.274 -8.849 0.288 1.00 0.00 N ATOM 450 CA GLU A 32 -2.478 -9.469 -0.203 1.00 0.00 C ATOM 451 C GLU A 32 -2.694 -9.090 -1.686 1.00 0.00 C ATOM 452 O GLU A 32 -3.149 -8.006 -2.021 1.00 0.00 O ATOM 453 CB GLU A 32 -3.565 -9.106 0.822 1.00 0.00 C ATOM 454 CG GLU A 32 -3.385 -9.822 2.202 1.00 0.00 C ATOM 455 CD GLU A 32 -1.952 -9.861 2.820 1.00 0.00 C ATOM 456 OE1 GLU A 32 -1.176 -10.753 2.483 1.00 0.00 O ATOM 457 OE2 GLU A 32 -1.591 -8.994 3.618 1.00 0.00 O ATOM 0 H GLU A 32 -1.417 -8.096 0.961 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.465 -10.557 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.561 -8.027 0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.541 -9.365 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.046 -9.337 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.731 -10.850 2.094 1.00 0.00 H new ATOM 464 N GLY A 33 -2.297 -10.058 -2.544 1.00 0.00 N ATOM 465 CA GLY A 33 -2.372 -9.909 -3.997 1.00 0.00 C ATOM 466 C GLY A 33 -1.001 -10.112 -4.672 1.00 0.00 C ATOM 467 O GLY A 33 -0.920 -10.417 -5.854 1.00 0.00 O ATOM 0 H GLY A 33 -1.919 -10.956 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.084 -10.630 -4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.752 -8.917 -4.240 1.00 0.00 H new ATOM 471 N ARG A 34 0.063 -9.916 -3.870 1.00 0.00 N ATOM 472 CA ARG A 34 1.437 -10.057 -4.382 1.00 0.00 C ATOM 473 C ARG A 34 2.214 -11.040 -3.495 1.00 0.00 C ATOM 474 O ARG A 34 2.528 -10.772 -2.342 1.00 0.00 O ATOM 475 CB ARG A 34 2.143 -8.696 -4.334 1.00 0.00 C ATOM 476 CG ARG A 34 1.576 -7.746 -5.403 1.00 0.00 C ATOM 477 CD ARG A 34 2.340 -6.397 -5.447 1.00 0.00 C ATOM 478 NE ARG A 34 3.800 -6.559 -5.473 1.00 0.00 N ATOM 479 CZ ARG A 34 4.611 -6.073 -4.506 1.00 0.00 C ATOM 480 NH1 ARG A 34 4.171 -5.229 -3.583 1.00 0.00 N ATOM 481 NH2 ARG A 34 5.863 -6.479 -4.471 1.00 0.00 N ATOM 0 H ARG A 34 -0.000 -9.664 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 34 1.401 -10.424 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.020 -8.253 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.213 -8.831 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.631 -8.226 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.522 -7.559 -5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.027 -5.838 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.062 -5.801 -4.577 1.00 0.00 H new ATOM 0 HE ARG A 34 4.221 -7.060 -6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.196 -4.929 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.807 -4.880 -2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.202 -7.146 -5.164 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.494 -6.126 -3.751 1.00 0.00 H new ATOM 495 N THR A 35 2.550 -12.168 -4.137 1.00 0.00 N ATOM 496 CA THR A 35 3.323 -13.222 -3.493 1.00 0.00 C ATOM 497 C THR A 35 4.752 -13.214 -4.077 1.00 0.00 C ATOM 498 O THR A 35 5.387 -14.249 -4.226 1.00 0.00 O ATOM 499 CB THR A 35 2.601 -14.555 -3.776 1.00 0.00 C ATOM 500 OG1 THR A 35 1.201 -14.349 -3.794 1.00 0.00 O ATOM 501 CG2 THR A 35 2.966 -15.667 -2.781 1.00 0.00 C ATOM 0 H THR A 35 2.294 -12.367 -5.104 1.00 0.00 H new ATOM 0 HA THR A 35 3.401 -13.076 -2.416 1.00 0.00 H new ATOM 0 HB THR A 35 2.940 -14.897 -4.754 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.748 -15.199 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.424 -16.577 -3.037 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.038 -15.859 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.696 -15.356 -1.772 1.00 0.00 H new ATOM 509 N ASP A 36 5.212 -11.981 -4.388 1.00 0.00 N ATOM 510 CA ASP A 36 6.529 -11.771 -4.985 1.00 0.00 C ATOM 511 C ASP A 36 7.587 -11.389 -3.923 1.00 0.00 C ATOM 512 O ASP A 36 8.750 -11.746 -4.065 1.00 0.00 O ATOM 513 CB ASP A 36 6.418 -10.701 -6.094 1.00 0.00 C ATOM 514 CG ASP A 36 5.942 -9.318 -5.615 1.00 0.00 C ATOM 515 OD1 ASP A 36 5.601 -9.154 -4.446 1.00 0.00 O ATOM 516 OD2 ASP A 36 5.911 -8.382 -6.411 1.00 0.00 O ATOM 0 H ASP A 36 4.683 -11.123 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 36 6.869 -12.707 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.392 -10.589 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.730 -11.061 -6.859 1.00 0.00 H new ATOM 521 N GLY A 37 7.144 -10.700 -2.844 1.00 0.00 N ATOM 522 CA GLY A 37 8.062 -10.388 -1.754 1.00 0.00 C ATOM 523 C GLY A 37 8.062 -8.953 -1.206 1.00 0.00 C ATOM 524 O GLY A 37 8.751 -8.747 -0.216 1.00 0.00 O ATOM 0 H GLY A 37 6.189 -10.365 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.841 -11.062 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.073 -10.618 -2.091 1.00 0.00 H new ATOM 528 N TYR A 38 7.359 -7.951 -1.813 1.00 0.00 N ATOM 529 CA TYR A 38 7.517 -6.602 -1.226 1.00 0.00 C ATOM 530 C TYR A 38 6.176 -6.186 -0.635 1.00 0.00 C ATOM 531 O TYR A 38 5.232 -5.918 -1.367 1.00 0.00 O ATOM 532 CB TYR A 38 8.076 -5.572 -2.238 1.00 0.00 C ATOM 533 CG TYR A 38 9.103 -6.182 -3.161 1.00 0.00 C ATOM 534 CD1 TYR A 38 10.150 -6.940 -2.661 1.00 0.00 C ATOM 535 CD2 TYR A 38 9.028 -6.032 -4.538 1.00 0.00 C ATOM 536 CE1 TYR A 38 11.059 -7.558 -3.490 1.00 0.00 C ATOM 537 CE2 TYR A 38 9.937 -6.647 -5.371 1.00 0.00 C ATOM 538 CZ TYR A 38 10.959 -7.423 -4.863 1.00 0.00 C ATOM 539 OH TYR A 38 11.847 -8.039 -5.721 1.00 0.00 O ATOM 0 H TYR A 38 6.743 -8.038 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 38 8.265 -6.634 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.256 -5.163 -2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.525 -4.739 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.256 -7.049 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.244 -5.423 -4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.855 -8.152 -3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.848 -6.520 -6.440 1.00 0.00 H new ATOM 0 HH TYR A 38 11.610 -7.824 -6.647 1.00 0.00 H new ATOM 549 N ARG A 39 6.134 -6.173 0.713 1.00 0.00 N ATOM 550 CA ARG A 39 4.844 -5.790 1.351 1.00 0.00 C ATOM 551 C ARG A 39 4.582 -4.311 0.958 1.00 0.00 C ATOM 552 O ARG A 39 5.513 -3.515 0.949 1.00 0.00 O ATOM 553 CB ARG A 39 4.932 -5.968 2.890 1.00 0.00 C ATOM 554 CG ARG A 39 5.491 -7.290 3.457 1.00 0.00 C ATOM 555 CD ARG A 39 5.118 -7.493 4.953 1.00 0.00 C ATOM 556 NE ARG A 39 3.674 -7.500 5.186 1.00 0.00 N ATOM 557 CZ ARG A 39 2.860 -8.491 4.768 1.00 0.00 C ATOM 558 NH1 ARG A 39 3.355 -9.546 4.140 1.00 0.00 N ATOM 559 NH2 ARG A 39 1.554 -8.384 4.977 1.00 0.00 N ATOM 0 H ARG A 39 6.904 -6.401 1.342 1.00 0.00 H new ATOM 0 HA ARG A 39 4.023 -6.422 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.545 -5.156 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.929 -5.834 3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.106 -8.125 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.576 -7.299 3.351 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.541 -8.434 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.572 -6.699 5.546 1.00 0.00 H new ATOM 0 HE ARG A 39 3.261 -6.715 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.358 -9.614 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.733 -10.291 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.179 -7.561 5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.925 -9.125 4.667 1.00 0.00 H new ATOM 573 N TRP A 40 3.325 -3.990 0.582 1.00 0.00 N ATOM 574 CA TRP A 40 2.963 -2.658 0.119 1.00 0.00 C ATOM 575 C TRP A 40 1.887 -2.062 1.034 1.00 0.00 C ATOM 576 O TRP A 40 1.261 -2.761 1.820 1.00 0.00 O ATOM 577 CB TRP A 40 2.483 -2.733 -1.353 1.00 0.00 C ATOM 578 CG TRP A 40 1.281 -3.650 -1.517 1.00 0.00 C ATOM 579 CD1 TRP A 40 1.326 -5.042 -1.670 1.00 0.00 C ATOM 580 CD2 TRP A 40 -0.116 -3.281 -1.579 1.00 0.00 C ATOM 581 NE1 TRP A 40 0.067 -5.512 -1.833 1.00 0.00 N ATOM 582 CE2 TRP A 40 -0.846 -4.473 -1.786 1.00 0.00 C ATOM 583 CE3 TRP A 40 -0.787 -2.091 -1.464 1.00 0.00 C ATOM 584 CZ2 TRP A 40 -2.207 -4.447 -1.880 1.00 0.00 C ATOM 585 CZ3 TRP A 40 -2.184 -2.054 -1.553 1.00 0.00 C ATOM 586 CH2 TRP A 40 -2.892 -3.239 -1.764 1.00 0.00 C ATOM 0 H TRP A 40 2.548 -4.650 0.595 1.00 0.00 H new ATOM 0 HA TRP A 40 3.833 -2.003 0.159 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.225 -1.733 -1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.299 -3.089 -1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.222 -5.644 -1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.175 -6.493 -1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.235 -1.177 -1.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.754 -5.364 -2.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.710 -1.116 -1.459 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.969 -3.219 -1.837 1.00 0.00 H new ATOM 597 N CYS A 41 1.703 -0.739 0.877 1.00 0.00 N ATOM 598 CA CYS A 41 0.670 -0.002 1.582 1.00 0.00 C ATOM 599 C CYS A 41 -0.132 0.781 0.533 1.00 0.00 C ATOM 600 O CYS A 41 0.413 1.207 -0.480 1.00 0.00 O ATOM 601 CB CYS A 41 1.328 0.974 2.559 1.00 0.00 C ATOM 602 SG CYS A 41 2.302 2.234 1.680 1.00 0.00 S ATOM 0 H CYS A 41 2.271 -0.163 0.256 1.00 0.00 H new ATOM 0 HA CYS A 41 0.019 -0.675 2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.561 1.460 3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.974 0.425 3.245 1.00 0.00 H new ATOM 607 N GLY A 42 -1.434 0.970 0.821 1.00 0.00 N ATOM 608 CA GLY A 42 -2.236 1.811 -0.058 1.00 0.00 C ATOM 609 C GLY A 42 -1.814 3.265 0.192 1.00 0.00 C ATOM 610 O GLY A 42 -1.223 3.559 1.225 1.00 0.00 O ATOM 0 H GLY A 42 -1.926 0.569 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.076 1.539 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.298 1.678 0.147 1.00 0.00 H new ATOM 614 N THR A 43 -2.149 4.155 -0.763 1.00 0.00 N ATOM 615 CA THR A 43 -1.817 5.573 -0.566 1.00 0.00 C ATOM 616 C THR A 43 -3.044 6.476 -0.710 1.00 0.00 C ATOM 617 O THR A 43 -2.928 7.683 -0.873 1.00 0.00 O ATOM 618 CB THR A 43 -0.658 6.007 -1.486 1.00 0.00 C ATOM 619 OG1 THR A 43 -0.388 5.018 -2.452 1.00 0.00 O ATOM 620 CG2 THR A 43 0.617 6.236 -0.676 1.00 0.00 C ATOM 0 H THR A 43 -2.626 3.931 -1.636 1.00 0.00 H new ATOM 0 HA THR A 43 -1.473 5.689 0.462 1.00 0.00 H new ATOM 0 HB THR A 43 -0.963 6.932 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.213 4.796 -2.933 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.422 6.541 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.443 7.018 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.897 5.313 -0.169 1.00 0.00 H new ATOM 628 N THR A 44 -4.217 5.832 -0.626 1.00 0.00 N ATOM 629 CA THR A 44 -5.470 6.559 -0.678 1.00 0.00 C ATOM 630 C THR A 44 -6.381 5.835 0.308 1.00 0.00 C ATOM 631 O THR A 44 -6.113 4.700 0.692 1.00 0.00 O ATOM 632 CB THR A 44 -6.049 6.605 -2.106 1.00 0.00 C ATOM 633 OG1 THR A 44 -6.499 5.310 -2.474 1.00 0.00 O ATOM 634 CG2 THR A 44 -5.012 7.105 -3.126 1.00 0.00 C ATOM 0 H THR A 44 -4.313 4.822 -0.523 1.00 0.00 H new ATOM 0 HA THR A 44 -5.350 7.608 -0.408 1.00 0.00 H new ATOM 0 HB THR A 44 -6.883 7.307 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.179 5.387 -3.175 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.459 7.123 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.690 8.110 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.151 6.436 -3.127 1.00 0.00 H new ATOM 642 N GLU A 45 -7.442 6.555 0.718 1.00 0.00 N ATOM 643 CA GLU A 45 -8.366 5.962 1.681 1.00 0.00 C ATOM 644 C GLU A 45 -9.063 4.740 1.037 1.00 0.00 C ATOM 645 O GLU A 45 -9.297 3.719 1.670 1.00 0.00 O ATOM 646 CB GLU A 45 -9.379 6.997 2.252 1.00 0.00 C ATOM 647 CG GLU A 45 -9.582 6.769 3.753 1.00 0.00 C ATOM 648 CD GLU A 45 -8.347 7.129 4.612 1.00 0.00 C ATOM 649 OE1 GLU A 45 -7.415 7.759 4.122 1.00 0.00 O ATOM 650 OE2 GLU A 45 -8.280 6.772 5.785 1.00 0.00 O ATOM 0 H GLU A 45 -7.668 7.501 0.412 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.795 5.620 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.013 8.009 2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.333 6.908 1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.432 7.362 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.837 5.723 3.921 1.00 0.00 H new ATOM 657 N ASP A 46 -9.348 4.926 -0.272 1.00 0.00 N ATOM 658 CA ASP A 46 -9.987 3.894 -1.096 1.00 0.00 C ATOM 659 C ASP A 46 -8.958 3.412 -2.134 1.00 0.00 C ATOM 660 O ASP A 46 -8.757 4.008 -3.188 1.00 0.00 O ATOM 661 CB ASP A 46 -11.279 4.424 -1.768 1.00 0.00 C ATOM 662 CG ASP A 46 -12.118 3.259 -2.299 1.00 0.00 C ATOM 663 OD1 ASP A 46 -11.651 2.520 -3.161 1.00 0.00 O ATOM 664 OD2 ASP A 46 -13.223 3.036 -1.809 1.00 0.00 O ATOM 0 H ASP A 46 -9.141 5.789 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.296 3.056 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.860 5.002 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.022 5.098 -2.585 1.00 0.00 H new ATOM 669 N TYR A 47 -8.295 2.304 -1.745 1.00 0.00 N ATOM 670 CA TYR A 47 -7.245 1.781 -2.623 1.00 0.00 C ATOM 671 C TYR A 47 -7.839 1.127 -3.873 1.00 0.00 C ATOM 672 O TYR A 47 -7.291 1.250 -4.961 1.00 0.00 O ATOM 673 CB TYR A 47 -6.369 0.755 -1.880 1.00 0.00 C ATOM 674 CG TYR A 47 -5.353 0.159 -2.814 1.00 0.00 C ATOM 675 CD1 TYR A 47 -4.204 0.855 -3.143 1.00 0.00 C ATOM 676 CD2 TYR A 47 -5.566 -1.086 -3.392 1.00 0.00 C ATOM 677 CE1 TYR A 47 -3.284 0.306 -4.016 1.00 0.00 C ATOM 678 CE2 TYR A 47 -4.636 -1.645 -4.251 1.00 0.00 C ATOM 679 CZ TYR A 47 -3.484 -0.946 -4.566 1.00 0.00 C ATOM 680 OH TYR A 47 -2.537 -1.474 -5.415 1.00 0.00 O ATOM 0 H TYR A 47 -8.457 1.785 -0.882 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.629 2.627 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.864 1.237 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.996 -0.033 -1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.025 1.831 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.473 -1.627 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.395 0.864 -4.272 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.809 -2.624 -4.674 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.652 -1.132 -5.171 1.00 0.00 H new ATOM 690 N ASP A 48 -8.957 0.404 -3.669 1.00 0.00 N ATOM 691 CA ASP A 48 -9.532 -0.339 -4.789 1.00 0.00 C ATOM 692 C ASP A 48 -9.800 0.587 -5.999 1.00 0.00 C ATOM 693 O ASP A 48 -9.553 0.251 -7.156 1.00 0.00 O ATOM 694 CB ASP A 48 -10.825 -1.067 -4.358 1.00 0.00 C ATOM 695 CG ASP A 48 -10.557 -2.100 -3.248 1.00 0.00 C ATOM 696 OD1 ASP A 48 -9.933 -3.117 -3.524 1.00 0.00 O ATOM 697 OD2 ASP A 48 -10.975 -1.889 -2.108 1.00 0.00 O ATOM 0 H ASP A 48 -9.455 0.323 -2.782 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.804 -1.089 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.553 -0.336 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.266 -1.567 -5.221 1.00 0.00 H new ATOM 702 N ARG A 49 -10.306 1.783 -5.649 1.00 0.00 N ATOM 703 CA ARG A 49 -10.584 2.809 -6.639 1.00 0.00 C ATOM 704 C ARG A 49 -9.285 3.290 -7.332 1.00 0.00 C ATOM 705 O ARG A 49 -9.104 3.073 -8.526 1.00 0.00 O ATOM 706 CB ARG A 49 -11.383 3.930 -5.950 1.00 0.00 C ATOM 707 CG ARG A 49 -11.638 5.182 -6.806 1.00 0.00 C ATOM 708 CD ARG A 49 -10.689 6.350 -6.450 1.00 0.00 C ATOM 709 NE ARG A 49 -11.463 7.536 -6.099 1.00 0.00 N ATOM 710 CZ ARG A 49 -10.918 8.626 -5.510 1.00 0.00 C ATOM 711 NH1 ARG A 49 -9.623 8.674 -5.211 1.00 0.00 N ATOM 712 NH2 ARG A 49 -11.697 9.667 -5.226 1.00 0.00 N ATOM 0 H ARG A 49 -10.526 2.051 -4.690 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.193 2.413 -7.451 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.344 3.526 -5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.851 4.230 -5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.517 4.928 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.671 5.504 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.047 6.066 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.036 6.569 -7.295 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.461 7.544 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.020 7.880 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.233 9.505 -4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.691 9.637 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.300 10.495 -4.782 1.00 0.00 H new ATOM 726 N ASP A 50 -8.399 3.943 -6.561 1.00 0.00 N ATOM 727 CA ASP A 50 -7.199 4.527 -7.178 1.00 0.00 C ATOM 728 C ASP A 50 -6.186 3.513 -7.741 1.00 0.00 C ATOM 729 O ASP A 50 -5.692 3.642 -8.853 1.00 0.00 O ATOM 730 CB ASP A 50 -6.458 5.406 -6.158 1.00 0.00 C ATOM 731 CG ASP A 50 -7.369 6.552 -5.710 1.00 0.00 C ATOM 732 OD1 ASP A 50 -7.613 7.458 -6.498 1.00 0.00 O ATOM 733 OD2 ASP A 50 -7.857 6.543 -4.583 1.00 0.00 O ATOM 0 H ASP A 50 -8.484 4.076 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.581 5.098 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.159 4.808 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.546 5.805 -6.602 1.00 0.00 H new ATOM 738 N LYS A 51 -5.841 2.562 -6.860 1.00 0.00 N ATOM 739 CA LYS A 51 -4.777 1.586 -7.108 1.00 0.00 C ATOM 740 C LYS A 51 -3.406 2.263 -7.150 1.00 0.00 C ATOM 741 O LYS A 51 -2.550 2.013 -7.995 1.00 0.00 O ATOM 742 CB LYS A 51 -5.032 0.645 -8.285 1.00 0.00 C ATOM 743 CG LYS A 51 -6.306 -0.176 -7.899 1.00 0.00 C ATOM 744 CD LYS A 51 -6.946 -0.863 -9.084 1.00 0.00 C ATOM 745 CE LYS A 51 -7.644 0.059 -10.088 1.00 0.00 C ATOM 746 NZ LYS A 51 -8.727 0.827 -9.483 1.00 0.00 N ATOM 0 H LYS A 51 -6.295 2.451 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.781 0.913 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.191 1.205 -9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.179 -0.012 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.037 -0.924 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.034 0.490 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.178 -1.429 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.675 -1.584 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.912 0.744 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.041 -0.538 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.510 0.917 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.064 0.339 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.380 1.773 -9.226 1.00 0.00 H new ATOM 760 N LYS A 52 -3.259 3.126 -6.131 1.00 0.00 N ATOM 761 CA LYS A 52 -2.015 3.821 -5.911 1.00 0.00 C ATOM 762 C LYS A 52 -1.500 3.298 -4.573 1.00 0.00 C ATOM 763 O LYS A 52 -2.184 3.400 -3.556 1.00 0.00 O ATOM 764 CB LYS A 52 -2.222 5.343 -5.777 1.00 0.00 C ATOM 765 CG LYS A 52 -2.138 6.169 -7.072 1.00 0.00 C ATOM 766 CD LYS A 52 -2.849 5.615 -8.326 1.00 0.00 C ATOM 767 CE LYS A 52 -1.917 4.974 -9.364 1.00 0.00 C ATOM 768 NZ LYS A 52 -0.743 5.808 -9.642 1.00 0.00 N ATOM 0 H LYS A 52 -3.993 3.347 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.335 3.654 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.200 5.515 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.478 5.727 -5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.546 7.158 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.084 6.303 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.584 4.874 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.398 6.427 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.591 3.998 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.468 4.804 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.400 5.615 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.004 6.812 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.008 5.590 -8.956 1.00 0.00 H new ATOM 782 N TYR A 53 -0.286 2.726 -4.627 1.00 0.00 N ATOM 783 CA TYR A 53 0.357 2.159 -3.457 1.00 0.00 C ATOM 784 C TYR A 53 1.810 2.589 -3.487 1.00 0.00 C ATOM 785 O TYR A 53 2.311 3.108 -4.476 1.00 0.00 O ATOM 786 CB TYR A 53 0.321 0.611 -3.491 1.00 0.00 C ATOM 787 CG TYR A 53 0.992 0.056 -4.720 1.00 0.00 C ATOM 788 CD1 TYR A 53 0.276 -0.096 -5.896 1.00 0.00 C ATOM 789 CD2 TYR A 53 2.339 -0.288 -4.705 1.00 0.00 C ATOM 790 CE1 TYR A 53 0.879 -0.578 -7.046 1.00 0.00 C ATOM 791 CE2 TYR A 53 2.951 -0.756 -5.859 1.00 0.00 C ATOM 792 CZ TYR A 53 2.227 -0.905 -7.030 1.00 0.00 C ATOM 793 OH TYR A 53 2.867 -1.369 -8.161 1.00 0.00 O ATOM 0 H TYR A 53 0.264 2.650 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.162 2.502 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.813 0.218 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.714 0.272 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.772 0.166 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.910 -0.191 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.302 -0.699 -7.951 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.001 -1.006 -5.844 1.00 0.00 H new ATOM 0 HH TYR A 53 3.809 -1.544 -7.955 1.00 0.00 H new ATOM 803 N GLY A 54 2.432 2.249 -2.360 1.00 0.00 N ATOM 804 CA GLY A 54 3.858 2.413 -2.144 1.00 0.00 C ATOM 805 C GLY A 54 4.356 1.097 -1.546 1.00 0.00 C ATOM 806 O GLY A 54 3.547 0.223 -1.245 1.00 0.00 O ATOM 0 H GLY A 54 1.945 1.845 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.370 2.633 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.056 3.246 -1.469 1.00 0.00 H new ATOM 810 N PHE A 55 5.691 0.980 -1.368 1.00 0.00 N ATOM 811 CA PHE A 55 6.213 -0.233 -0.747 1.00 0.00 C ATOM 812 C PHE A 55 6.482 0.095 0.724 1.00 0.00 C ATOM 813 O PHE A 55 6.606 1.245 1.125 1.00 0.00 O ATOM 814 CB PHE A 55 7.465 -0.810 -1.435 1.00 0.00 C ATOM 815 CG PHE A 55 7.236 -1.379 -2.818 1.00 0.00 C ATOM 816 CD1 PHE A 55 5.999 -1.875 -3.237 1.00 0.00 C ATOM 817 CD2 PHE A 55 8.304 -1.439 -3.708 1.00 0.00 C ATOM 818 CE1 PHE A 55 5.842 -2.416 -4.505 1.00 0.00 C ATOM 819 CE2 PHE A 55 8.142 -1.971 -4.980 1.00 0.00 C ATOM 820 CZ PHE A 55 6.912 -2.463 -5.381 1.00 0.00 C ATOM 0 H PHE A 55 6.386 1.677 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 55 5.470 -1.024 -0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.217 -0.024 -1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.879 -1.594 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.154 -1.837 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.272 -1.067 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.880 -2.802 -4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 55 8.980 -2.001 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.788 -2.880 -6.369 1.00 0.00 H new ATOM 830 N CYS A 56 6.476 -1.006 1.483 1.00 0.00 N ATOM 831 CA CYS A 56 6.644 -0.962 2.948 1.00 0.00 C ATOM 832 C CYS A 56 8.092 -1.461 3.141 1.00 0.00 C ATOM 833 O CYS A 56 8.747 -1.775 2.155 1.00 0.00 O ATOM 834 CB CYS A 56 5.537 -1.859 3.588 1.00 0.00 C ATOM 835 SG CYS A 56 4.554 -1.076 4.899 1.00 0.00 S ATOM 0 H CYS A 56 6.356 -1.947 1.108 1.00 0.00 H new ATOM 0 HA CYS A 56 6.523 0.009 3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.861 -2.189 2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.010 -2.752 3.997 1.00 0.00 H new ATOM 840 N PRO A 57 8.606 -1.482 4.403 1.00 0.00 N ATOM 841 CA PRO A 57 10.032 -1.733 4.629 1.00 0.00 C ATOM 842 C PRO A 57 10.457 -3.205 4.389 1.00 0.00 C ATOM 843 O PRO A 57 10.431 -3.705 3.274 1.00 0.00 O ATOM 844 CB PRO A 57 10.261 -1.165 6.043 1.00 0.00 C ATOM 845 CG PRO A 57 8.912 -1.334 6.745 1.00 0.00 C ATOM 846 CD PRO A 57 7.878 -1.143 5.630 1.00 0.00 C ATOM 0 HA PRO A 57 10.686 -1.247 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.051 -1.705 6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.561 -0.118 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.824 -2.318 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.782 -0.598 7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.014 -1.792 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.506 -0.119 5.603 1.00 0.00 H new ATOM 854 N GLU A 58 10.893 -3.839 5.489 1.00 0.00 N ATOM 855 CA GLU A 58 11.393 -5.216 5.433 1.00 0.00 C ATOM 856 C GLU A 58 10.208 -6.206 5.531 1.00 0.00 C ATOM 857 O GLU A 58 9.339 -6.242 4.668 1.00 0.00 O ATOM 858 CB GLU A 58 12.513 -5.412 6.493 1.00 0.00 C ATOM 859 CG GLU A 58 13.390 -6.653 6.247 1.00 0.00 C ATOM 860 CD GLU A 58 14.246 -6.478 4.984 1.00 0.00 C ATOM 861 OE1 GLU A 58 15.311 -5.870 5.078 1.00 0.00 O ATOM 862 OE2 GLU A 58 13.835 -6.945 3.925 1.00 0.00 O ATOM 0 H GLU A 58 10.908 -3.422 6.420 1.00 0.00 H new ATOM 0 HA GLU A 58 11.866 -5.428 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.148 -4.526 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.057 -5.491 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.036 -6.823 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.758 -7.535 6.143 1.00 0.00 H new ATOM 869 N THR A 59 10.228 -6.993 6.631 1.00 0.00 N ATOM 870 CA THR A 59 9.188 -7.973 6.938 1.00 0.00 C ATOM 871 C THR A 59 8.843 -8.869 5.725 1.00 0.00 C ATOM 872 O THR A 59 7.691 -9.063 5.356 1.00 0.00 O ATOM 873 CB THR A 59 7.973 -7.284 7.609 1.00 0.00 C ATOM 874 OG1 THR A 59 7.815 -5.965 7.104 1.00 0.00 O ATOM 875 CG2 THR A 59 8.171 -7.200 9.132 1.00 0.00 C ATOM 0 H THR A 59 10.973 -6.958 7.326 1.00 0.00 H new ATOM 0 HA THR A 59 9.576 -8.677 7.675 1.00 0.00 H new ATOM 0 HB THR A 59 7.087 -7.879 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.043 -5.540 7.534 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.307 -6.713 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.277 -8.205 9.541 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.069 -6.623 9.351 1.00 0.00 H new ATOM 883 N ALA A 60 9.935 -9.414 5.163 1.00 0.00 N ATOM 884 CA ALA A 60 9.869 -10.318 4.028 1.00 0.00 C ATOM 885 C ALA A 60 10.989 -11.361 4.192 1.00 0.00 C ATOM 886 O ALA A 60 10.967 -12.366 3.483 1.00 0.00 O ATOM 887 CB ALA A 60 10.049 -9.518 2.732 1.00 0.00 C ATOM 888 OXT ALA A 60 11.866 -11.157 5.035 1.00 0.00 O ATOM 0 H ALA A 60 10.884 -9.233 5.491 1.00 0.00 H new ATOM 0 HA ALA A 60 8.904 -10.823 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.000 -10.193 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.257 -8.773 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.018 -9.018 2.744 1.00 0.00 H new TER 894 ALA A 60