USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 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 3 SER OG : rot -43:sc= 0.489 USER MOD Set 1.2: A 62 SER OG : rot 70:sc= 0.864 USER MOD Set 2.1: A 38 TYR OH : rot 80:sc= 1.04 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 136:sc= 1.59 (180deg=0.328) USER MOD Set 3.1: A 12 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.4) USER MOD Set 3.2: A 16 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00174) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0912 (180deg=-0.0539) USER MOD Single : A 2 ASN : amide:sc= -0.0979 K(o=-0.098,f=-3.6!) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.0432 (180deg=-0.156) USER MOD Single : A 9 LYS NZ :NH3+ 157:sc= -0.159 (180deg=-0.822) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -0.0151 (180deg=-0.222) USER MOD Single : A 14 THR OG1 : rot -92:sc= 1.08 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 30 GLN : amide:sc= -0.801 K(o=-0.8,f=-3.5!) USER MOD Single : A 35 HIS : no HE2:sc= -1.77 K(o=-1.8,f=-7.6!) USER MOD Single : A 44 GLN : amide:sc= -0.0992 X(o=-0.099,f=-0.26) USER MOD Single : A 47 TYR OH : rot 34:sc= -0.531! USER MOD Single : A 50 SER OG : rot 180:sc= 0.039 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= 0.725 (180deg=-1.76!) USER MOD Single : A 56 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.030 7.738 -6.102 1.00 0.00 N ATOM 2 CA MET A 1 14.690 7.995 -5.533 1.00 0.00 C ATOM 3 C MET A 1 14.177 6.763 -4.808 1.00 0.00 C ATOM 4 O MET A 1 14.718 5.669 -4.965 1.00 0.00 O ATOM 5 CB MET A 1 13.701 8.397 -6.630 1.00 0.00 C ATOM 6 CG MET A 1 14.034 9.717 -7.303 1.00 0.00 C ATOM 7 SD MET A 1 14.061 11.100 -6.149 1.00 0.00 S ATOM 8 CE MET A 1 14.433 12.449 -7.266 1.00 0.00 C ATOM 0 H1 MET A 1 16.707 8.429 -5.721 1.00 0.00 H new ATOM 0 H2 MET A 1 16.337 6.777 -5.848 1.00 0.00 H new ATOM 0 H3 MET A 1 15.990 7.826 -7.137 1.00 0.00 H new ATOM 0 HA MET A 1 14.778 8.817 -4.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.672 7.612 -7.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.702 8.462 -6.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.006 9.637 -7.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.301 9.916 -8.085 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.485 13.382 -6.705 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.391 12.265 -7.753 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.650 12.523 -8.021 1.00 0.00 H new ATOM 18 N ASN A 2 13.135 6.951 -4.015 1.00 0.00 N ATOM 19 CA ASN A 2 12.540 5.867 -3.250 1.00 0.00 C ATOM 20 C ASN A 2 11.178 5.515 -3.846 1.00 0.00 C ATOM 21 O ASN A 2 10.667 6.232 -4.706 1.00 0.00 O ATOM 22 CB ASN A 2 12.413 6.289 -1.775 1.00 0.00 C ATOM 23 CG ASN A 2 11.951 5.170 -0.856 1.00 0.00 C ATOM 24 OD1 ASN A 2 12.191 3.992 -1.117 1.00 0.00 O ATOM 25 ND2 ASN A 2 11.301 5.534 0.237 1.00 0.00 N ATOM 0 H ASN A 2 12.680 7.854 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 2 13.174 4.981 -3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 2 13.378 6.657 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.710 7.119 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 2 10.980 4.827 0.898 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.121 6.522 0.418 1.00 0.00 H new ATOM 32 N SER A 3 10.589 4.418 -3.392 1.00 0.00 N ATOM 33 CA SER A 3 9.314 3.952 -3.925 1.00 0.00 C ATOM 34 C SER A 3 8.141 4.711 -3.290 1.00 0.00 C ATOM 35 O SER A 3 6.993 4.270 -3.350 1.00 0.00 O ATOM 36 CB SER A 3 9.175 2.447 -3.678 1.00 0.00 C ATOM 37 OG SER A 3 8.067 1.908 -4.374 1.00 0.00 O ATOM 0 H SER A 3 10.975 3.831 -2.653 1.00 0.00 H new ATOM 0 HA SER A 3 9.292 4.144 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.086 1.940 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.061 2.261 -2.610 1.00 0.00 H new ATOM 0 HG SER A 3 7.298 2.509 -4.281 1.00 0.00 H new ATOM 43 N ASP A 4 8.432 5.880 -2.728 1.00 0.00 N ATOM 44 CA ASP A 4 7.429 6.686 -2.034 1.00 0.00 C ATOM 45 C ASP A 4 6.551 7.446 -3.025 1.00 0.00 C ATOM 46 O ASP A 4 5.669 8.211 -2.632 1.00 0.00 O ATOM 47 CB ASP A 4 8.110 7.676 -1.088 1.00 0.00 C ATOM 48 CG ASP A 4 8.941 8.703 -1.832 1.00 0.00 C ATOM 49 OD1 ASP A 4 9.968 8.320 -2.423 1.00 0.00 O ATOM 50 OD2 ASP A 4 8.571 9.898 -1.822 1.00 0.00 O ATOM 0 H ASP A 4 9.364 6.295 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 4 6.796 6.010 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.353 8.186 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.748 7.131 -0.392 1.00 0.00 H new ATOM 55 N VAL A 5 6.792 7.231 -4.312 1.00 0.00 N ATOM 56 CA VAL A 5 5.998 7.867 -5.358 1.00 0.00 C ATOM 57 C VAL A 5 4.604 7.248 -5.436 1.00 0.00 C ATOM 58 O VAL A 5 3.682 7.838 -5.994 1.00 0.00 O ATOM 59 CB VAL A 5 6.687 7.765 -6.737 1.00 0.00 C ATOM 60 CG1 VAL A 5 8.012 8.511 -6.728 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.898 6.310 -7.139 1.00 0.00 C ATOM 0 H VAL A 5 7.532 6.620 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 5 5.908 8.921 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 5 6.032 8.228 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.483 8.428 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.836 9.562 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.668 8.079 -5.972 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.385 6.269 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.526 5.815 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.934 5.804 -7.193 1.00 0.00 H new ATOM 71 N ILE A 6 4.462 6.065 -4.848 1.00 0.00 N ATOM 72 CA ILE A 6 3.192 5.344 -4.845 1.00 0.00 C ATOM 73 C ILE A 6 2.243 5.937 -3.802 1.00 0.00 C ATOM 74 O ILE A 6 1.026 5.776 -3.880 1.00 0.00 O ATOM 75 CB ILE A 6 3.418 3.842 -4.548 1.00 0.00 C ATOM 76 CG1 ILE A 6 4.442 3.253 -5.525 1.00 0.00 C ATOM 77 CG2 ILE A 6 2.110 3.065 -4.621 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.015 3.320 -6.978 1.00 0.00 C ATOM 0 H ILE A 6 5.217 5.581 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 6 2.744 5.445 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 6 3.807 3.754 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.387 3.784 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.627 2.212 -5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.299 2.013 -4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.409 3.463 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.684 3.162 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.792 2.884 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.087 2.764 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.859 4.360 -7.264 1.00 0.00 H new ATOM 90 N LYS A 7 2.815 6.652 -2.836 1.00 0.00 N ATOM 91 CA LYS A 7 2.041 7.233 -1.746 1.00 0.00 C ATOM 92 C LYS A 7 1.169 8.379 -2.260 1.00 0.00 C ATOM 93 O LYS A 7 0.145 8.718 -1.659 1.00 0.00 O ATOM 94 CB LYS A 7 2.979 7.743 -0.649 1.00 0.00 C ATOM 95 CG LYS A 7 2.298 7.966 0.693 1.00 0.00 C ATOM 96 CD LYS A 7 3.225 8.660 1.676 1.00 0.00 C ATOM 97 CE LYS A 7 2.679 8.615 3.093 1.00 0.00 C ATOM 98 NZ LYS A 7 1.261 9.054 3.171 1.00 0.00 N ATOM 0 H LYS A 7 3.816 6.842 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 7 1.393 6.461 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.791 7.028 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.429 8.680 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.400 8.567 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.980 7.008 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.206 8.185 1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.365 9.698 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.763 7.599 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.289 9.251 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.046 9.362 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.106 9.845 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.638 8.262 2.913 1.00 0.00 H new ATOM 112 N GLY A 8 1.583 8.970 -3.373 1.00 0.00 N ATOM 113 CA GLY A 8 0.847 10.075 -3.948 1.00 0.00 C ATOM 114 C GLY A 8 0.129 9.668 -5.215 1.00 0.00 C ATOM 115 O GLY A 8 0.671 8.900 -6.011 1.00 0.00 O ATOM 0 H GLY A 8 2.420 8.701 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.123 10.447 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.532 10.895 -4.165 1.00 0.00 H new ATOM 119 N LYS A 9 -1.095 10.174 -5.388 1.00 0.00 N ATOM 120 CA LYS A 9 -1.934 9.859 -6.552 1.00 0.00 C ATOM 121 C LYS A 9 -2.411 8.411 -6.495 1.00 0.00 C ATOM 122 O LYS A 9 -2.878 7.864 -7.492 1.00 0.00 O ATOM 123 CB LYS A 9 -1.187 10.118 -7.866 1.00 0.00 C ATOM 124 CG LYS A 9 -0.710 11.549 -8.019 1.00 0.00 C ATOM 125 CD LYS A 9 0.200 11.713 -9.223 1.00 0.00 C ATOM 126 CE LYS A 9 0.900 13.060 -9.201 1.00 0.00 C ATOM 127 NZ LYS A 9 1.705 13.237 -7.965 1.00 0.00 N ATOM 0 H LYS A 9 -1.534 10.814 -4.726 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.802 10.518 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.328 9.449 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.842 9.870 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.570 12.210 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.179 11.854 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.942 10.915 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.383 11.618 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.547 13.149 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.160 13.857 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.451 13.942 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.089 13.563 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.140 12.330 -7.701 1.00 0.00 H new ATOM 141 N TRP A 10 -2.313 7.818 -5.306 1.00 0.00 N ATOM 142 CA TRP A 10 -2.717 6.432 -5.067 1.00 0.00 C ATOM 143 C TRP A 10 -4.127 6.159 -5.591 1.00 0.00 C ATOM 144 O TRP A 10 -4.379 5.119 -6.205 1.00 0.00 O ATOM 145 CB TRP A 10 -2.637 6.138 -3.565 1.00 0.00 C ATOM 146 CG TRP A 10 -3.217 4.818 -3.159 1.00 0.00 C ATOM 147 CD1 TRP A 10 -4.445 4.604 -2.598 1.00 0.00 C ATOM 148 CD2 TRP A 10 -2.596 3.529 -3.268 1.00 0.00 C ATOM 149 NE1 TRP A 10 -4.622 3.266 -2.354 1.00 0.00 N ATOM 150 CE2 TRP A 10 -3.504 2.587 -2.754 1.00 0.00 C ATOM 151 CE3 TRP A 10 -1.363 3.077 -3.748 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -3.223 1.226 -2.705 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -1.083 1.724 -3.699 1.00 0.00 C ATOM 154 CH2 TRP A 10 -2.011 0.812 -3.180 1.00 0.00 C ATOM 0 H TRP A 10 -1.949 8.287 -4.477 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.038 5.773 -5.609 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.592 6.172 -3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.155 6.930 -3.024 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.169 5.375 -2.379 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.454 2.845 -1.941 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.642 3.773 -4.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.937 0.521 -2.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.133 1.364 -4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.763 -0.239 -3.155 1.00 0.00 H new ATOM 165 N LYS A 11 -5.033 7.106 -5.364 1.00 0.00 N ATOM 166 CA LYS A 11 -6.416 6.984 -5.818 1.00 0.00 C ATOM 167 C LYS A 11 -6.483 6.719 -7.318 1.00 0.00 C ATOM 168 O LYS A 11 -7.292 5.917 -7.778 1.00 0.00 O ATOM 169 CB LYS A 11 -7.198 8.257 -5.492 1.00 0.00 C ATOM 170 CG LYS A 11 -7.302 8.550 -4.007 1.00 0.00 C ATOM 171 CD LYS A 11 -8.138 7.508 -3.287 1.00 0.00 C ATOM 172 CE LYS A 11 -8.172 7.762 -1.789 1.00 0.00 C ATOM 173 NZ LYS A 11 -8.663 9.126 -1.462 1.00 0.00 N ATOM 0 H LYS A 11 -4.832 7.973 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.862 6.139 -5.294 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.720 9.102 -5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.202 8.171 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.303 8.580 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.744 9.536 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.154 7.518 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.730 6.516 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.814 7.022 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.172 7.629 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.863 9.188 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.937 9.826 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.533 9.319 -1.998 1.00 0.00 H new ATOM 187 N GLN A 12 -5.613 7.380 -8.068 1.00 0.00 N ATOM 188 CA GLN A 12 -5.605 7.265 -9.517 1.00 0.00 C ATOM 189 C GLN A 12 -4.746 6.074 -9.942 1.00 0.00 C ATOM 190 O GLN A 12 -5.063 5.376 -10.905 1.00 0.00 O ATOM 191 CB GLN A 12 -5.073 8.569 -10.129 1.00 0.00 C ATOM 192 CG GLN A 12 -5.494 8.813 -11.575 1.00 0.00 C ATOM 193 CD GLN A 12 -4.717 7.988 -12.582 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.550 7.661 -12.371 1.00 0.00 O ATOM 195 NE2 GLN A 12 -5.359 7.655 -13.688 1.00 0.00 N ATOM 0 H GLN A 12 -4.900 8.005 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.620 7.097 -9.877 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.414 9.406 -9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.984 8.560 -10.078 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.556 8.590 -11.678 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.366 9.870 -11.808 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.327 7.947 -13.823 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.887 7.106 -14.406 1.00 0.00 H new ATOM 204 N LEU A 13 -3.668 5.840 -9.197 1.00 0.00 N ATOM 205 CA LEU A 13 -2.724 4.766 -9.509 1.00 0.00 C ATOM 206 C LEU A 13 -3.390 3.395 -9.468 1.00 0.00 C ATOM 207 O LEU A 13 -2.942 2.472 -10.145 1.00 0.00 O ATOM 208 CB LEU A 13 -1.535 4.785 -8.542 1.00 0.00 C ATOM 209 CG LEU A 13 -0.650 6.032 -8.612 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.484 5.935 -7.606 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.099 6.225 -10.018 1.00 0.00 C ATOM 0 H LEU A 13 -3.424 6.382 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.368 4.944 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.914 4.686 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.916 3.910 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.262 6.899 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.104 6.830 -7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.072 5.849 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.091 5.057 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.527 7.117 -10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.496 5.356 -10.298 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.925 6.341 -10.720 1.00 0.00 H new ATOM 223 N THR A 14 -4.461 3.271 -8.683 1.00 0.00 N ATOM 224 CA THR A 14 -5.196 2.014 -8.554 1.00 0.00 C ATOM 225 C THR A 14 -5.552 1.425 -9.919 1.00 0.00 C ATOM 226 O THR A 14 -5.456 0.215 -10.127 1.00 0.00 O ATOM 227 CB THR A 14 -6.493 2.211 -7.746 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.281 3.255 -8.338 1.00 0.00 O ATOM 229 CG2 THR A 14 -6.188 2.551 -6.295 1.00 0.00 C ATOM 0 H THR A 14 -4.841 4.034 -8.123 1.00 0.00 H new ATOM 0 HA THR A 14 -4.538 1.321 -8.029 1.00 0.00 H new ATOM 0 HB THR A 14 -7.054 1.276 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.056 4.112 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.122 2.685 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.616 1.740 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.607 3.472 -6.252 1.00 0.00 H new ATOM 237 N GLY A 15 -5.939 2.293 -10.849 1.00 0.00 N ATOM 238 CA GLY A 15 -6.294 1.854 -12.185 1.00 0.00 C ATOM 239 C GLY A 15 -5.129 1.217 -12.916 1.00 0.00 C ATOM 240 O GLY A 15 -5.300 0.217 -13.612 1.00 0.00 O ATOM 0 H GLY A 15 -6.013 3.299 -10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.114 1.139 -12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.657 2.706 -12.759 1.00 0.00 H new ATOM 244 N LYS A 16 -3.940 1.784 -12.750 1.00 0.00 N ATOM 245 CA LYS A 16 -2.744 1.244 -13.386 1.00 0.00 C ATOM 246 C LYS A 16 -2.265 -0.007 -12.658 1.00 0.00 C ATOM 247 O LYS A 16 -1.670 -0.901 -13.261 1.00 0.00 O ATOM 248 CB LYS A 16 -1.629 2.290 -13.431 1.00 0.00 C ATOM 249 CG LYS A 16 -1.888 3.420 -14.416 1.00 0.00 C ATOM 250 CD LYS A 16 -0.674 4.325 -14.550 1.00 0.00 C ATOM 251 CE LYS A 16 -0.856 5.346 -15.666 1.00 0.00 C ATOM 252 NZ LYS A 16 -1.934 6.324 -15.369 1.00 0.00 N ATOM 0 H LYS A 16 -3.778 2.616 -12.182 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.002 0.973 -14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.499 2.712 -12.434 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.692 1.798 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.144 3.004 -15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.746 4.005 -14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.500 4.843 -13.607 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.211 3.721 -14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.081 5.879 -15.823 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.087 4.826 -16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.008 7.007 -16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.838 5.822 -15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.712 6.829 -14.487 1.00 0.00 H new ATOM 266 N ILE A 17 -2.526 -0.070 -11.361 1.00 0.00 N ATOM 267 CA ILE A 17 -2.219 -1.261 -10.582 1.00 0.00 C ATOM 268 C ILE A 17 -3.114 -2.416 -11.030 1.00 0.00 C ATOM 269 O ILE A 17 -2.660 -3.552 -11.198 1.00 0.00 O ATOM 270 CB ILE A 17 -2.404 -1.004 -9.071 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.523 0.165 -8.619 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.073 -2.252 -8.269 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.725 0.556 -7.171 1.00 0.00 C ATOM 0 H ILE A 17 -2.949 0.688 -10.826 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.175 -1.522 -10.754 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.448 -0.747 -8.892 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.477 -0.100 -8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.729 1.029 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.210 -2.049 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.734 -3.065 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.038 -2.539 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.068 1.390 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.762 0.853 -7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.491 -0.293 -6.529 1.00 0.00 H new ATOM 285 N LYS A 18 -4.390 -2.105 -11.244 1.00 0.00 N ATOM 286 CA LYS A 18 -5.344 -3.066 -11.784 1.00 0.00 C ATOM 287 C LYS A 18 -4.951 -3.444 -13.212 1.00 0.00 C ATOM 288 O LYS A 18 -5.067 -4.601 -13.611 1.00 0.00 O ATOM 289 CB LYS A 18 -6.763 -2.479 -11.746 1.00 0.00 C ATOM 290 CG LYS A 18 -7.827 -3.353 -12.398 1.00 0.00 C ATOM 291 CD LYS A 18 -7.903 -4.731 -11.758 1.00 0.00 C ATOM 292 CE LYS A 18 -8.946 -5.607 -12.438 1.00 0.00 C ATOM 293 NZ LYS A 18 -10.334 -5.214 -12.079 1.00 0.00 N ATOM 0 H LYS A 18 -4.788 -1.186 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.330 -3.968 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.042 -2.303 -10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.754 -1.508 -12.242 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.797 -2.863 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.608 -3.458 -13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.928 -5.214 -11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.146 -4.629 -10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.821 -5.544 -13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.782 -6.648 -12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.008 -5.838 -12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.464 -5.299 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.502 -4.230 -12.369 1.00 0.00 H new ATOM 307 N GLU A 19 -4.476 -2.458 -13.963 1.00 0.00 N ATOM 308 CA GLU A 19 -3.982 -2.673 -15.321 1.00 0.00 C ATOM 309 C GLU A 19 -2.856 -3.707 -15.333 1.00 0.00 C ATOM 310 O GLU A 19 -2.813 -4.583 -16.195 1.00 0.00 O ATOM 311 CB GLU A 19 -3.479 -1.349 -15.907 1.00 0.00 C ATOM 312 CG GLU A 19 -2.882 -1.470 -17.300 1.00 0.00 C ATOM 313 CD GLU A 19 -3.923 -1.731 -18.368 1.00 0.00 C ATOM 314 OE1 GLU A 19 -4.404 -2.876 -18.474 1.00 0.00 O ATOM 315 OE2 GLU A 19 -4.255 -0.788 -19.116 1.00 0.00 O ATOM 0 H GLU A 19 -4.422 -1.489 -13.651 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.803 -3.051 -15.930 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.307 -0.641 -15.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.728 -0.930 -15.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.345 -0.552 -17.540 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.151 -2.279 -17.307 1.00 0.00 H new ATOM 322 N ARG A 20 -1.950 -3.595 -14.369 1.00 0.00 N ATOM 323 CA ARG A 20 -0.817 -4.507 -14.269 1.00 0.00 C ATOM 324 C ARG A 20 -1.245 -5.903 -13.824 1.00 0.00 C ATOM 325 O ARG A 20 -1.210 -6.853 -14.606 1.00 0.00 O ATOM 326 CB ARG A 20 0.225 -3.962 -13.286 1.00 0.00 C ATOM 327 CG ARG A 20 1.133 -2.886 -13.862 1.00 0.00 C ATOM 328 CD ARG A 20 2.017 -3.435 -14.973 1.00 0.00 C ATOM 329 NE ARG A 20 2.690 -4.674 -14.578 1.00 0.00 N ATOM 330 CZ ARG A 20 4.012 -4.826 -14.487 1.00 0.00 C ATOM 331 NH1 ARG A 20 4.834 -3.803 -14.713 1.00 0.00 N ATOM 332 NH2 ARG A 20 4.503 -6.014 -14.161 1.00 0.00 N ATOM 0 H ARG A 20 -1.978 -2.879 -13.643 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.382 -4.584 -15.265 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.292 -3.556 -12.416 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.841 -4.789 -12.934 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.527 -2.067 -14.249 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.757 -2.473 -13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.411 -3.619 -15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.763 -2.688 -15.245 1.00 0.00 H new ATOM 0 HE ARG A 20 2.105 -5.480 -14.356 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.455 -2.889 -14.959 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.843 -3.934 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.872 -6.796 -13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.512 -6.146 -14.087 1.00 0.00 H new ATOM 346 N TRP A 21 -1.667 -6.016 -12.574 1.00 0.00 N ATOM 347 CA TRP A 21 -1.872 -7.320 -11.964 1.00 0.00 C ATOM 348 C TRP A 21 -3.249 -7.898 -12.259 1.00 0.00 C ATOM 349 O TRP A 21 -3.377 -9.077 -12.582 1.00 0.00 O ATOM 350 CB TRP A 21 -1.612 -7.231 -10.461 1.00 0.00 C ATOM 351 CG TRP A 21 -0.156 -7.065 -10.148 1.00 0.00 C ATOM 352 CD1 TRP A 21 0.791 -8.047 -10.156 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.528 -5.853 -9.791 1.00 0.00 C ATOM 354 NE1 TRP A 21 2.016 -7.524 -9.834 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.881 -6.182 -9.601 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.128 -4.525 -9.614 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.837 -5.234 -9.244 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.078 -3.584 -9.258 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.418 -3.943 -9.078 1.00 0.00 C ATOM 0 H TRP A 21 -1.873 -5.224 -11.965 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.158 -8.012 -12.410 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.169 -6.391 -10.047 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -1.986 -8.132 -9.975 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.603 -9.086 -10.383 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.888 -8.050 -9.777 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.904 -4.239 -9.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.872 -5.509 -9.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.780 -2.556 -9.117 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.136 -3.185 -8.802 1.00 0.00 H new ATOM 370 N GLY A 22 -4.268 -7.078 -12.144 1.00 0.00 N ATOM 371 CA GLY A 22 -5.617 -7.522 -12.460 1.00 0.00 C ATOM 372 C GLY A 22 -6.308 -8.219 -11.299 1.00 0.00 C ATOM 373 O GLY A 22 -7.480 -7.965 -11.031 1.00 0.00 O ATOM 0 H GLY A 22 -4.196 -6.108 -11.837 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.213 -6.662 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.578 -8.201 -13.312 1.00 0.00 H new ATOM 377 N ASP A 23 -5.588 -9.102 -10.612 1.00 0.00 N ATOM 378 CA ASP A 23 -6.155 -9.836 -9.477 1.00 0.00 C ATOM 379 C ASP A 23 -6.441 -8.902 -8.312 1.00 0.00 C ATOM 380 O ASP A 23 -7.265 -9.203 -7.450 1.00 0.00 O ATOM 381 CB ASP A 23 -5.209 -10.945 -9.008 1.00 0.00 C ATOM 382 CG ASP A 23 -5.030 -12.044 -10.032 1.00 0.00 C ATOM 383 OD1 ASP A 23 -4.175 -11.893 -10.931 1.00 0.00 O ATOM 384 OD2 ASP A 23 -5.734 -13.068 -9.934 1.00 0.00 O ATOM 0 H ASP A 23 -4.615 -9.328 -10.818 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.089 -10.283 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.237 -10.511 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.594 -11.376 -8.084 1.00 0.00 H new ATOM 389 N LEU A 24 -5.743 -7.778 -8.286 1.00 0.00 N ATOM 390 CA LEU A 24 -5.920 -6.794 -7.233 1.00 0.00 C ATOM 391 C LEU A 24 -7.215 -6.022 -7.414 1.00 0.00 C ATOM 392 O LEU A 24 -7.354 -5.224 -8.343 1.00 0.00 O ATOM 393 CB LEU A 24 -4.740 -5.826 -7.195 1.00 0.00 C ATOM 394 CG LEU A 24 -3.472 -6.383 -6.553 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.335 -5.386 -6.674 1.00 0.00 C ATOM 396 CD2 LEU A 24 -3.730 -6.726 -5.092 1.00 0.00 C ATOM 0 H LEU A 24 -5.046 -7.525 -8.986 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.969 -7.331 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.508 -5.518 -8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.041 -4.930 -6.652 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.185 -7.294 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.438 -5.799 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.139 -5.183 -7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.609 -4.459 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.818 -7.122 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.036 -5.828 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.520 -7.474 -5.028 1.00 0.00 H new ATOM 408 N THR A 25 -8.159 -6.289 -6.528 1.00 0.00 N ATOM 409 CA THR A 25 -9.422 -5.579 -6.497 1.00 0.00 C ATOM 410 C THR A 25 -9.181 -4.079 -6.328 1.00 0.00 C ATOM 411 O THR A 25 -8.448 -3.659 -5.432 1.00 0.00 O ATOM 412 CB THR A 25 -10.271 -6.098 -5.324 1.00 0.00 C ATOM 413 OG1 THR A 25 -9.747 -7.358 -4.884 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.727 -6.272 -5.725 1.00 0.00 C ATOM 0 H THR A 25 -8.069 -7.007 -5.809 1.00 0.00 H new ATOM 0 HA THR A 25 -9.948 -5.749 -7.436 1.00 0.00 H new ATOM 0 HB THR A 25 -10.226 -5.364 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.284 -7.692 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.298 -6.640 -4.872 1.00 0.00 H new ATOM 0 HG22 THR A 25 -12.133 -5.313 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.796 -6.988 -6.544 1.00 0.00 H new ATOM 422 N ASP A 26 -9.786 -3.268 -7.186 1.00 0.00 N ATOM 423 CA ASP A 26 -9.589 -1.822 -7.121 1.00 0.00 C ATOM 424 C ASP A 26 -10.234 -1.241 -5.864 1.00 0.00 C ATOM 425 O ASP A 26 -9.735 -0.263 -5.301 1.00 0.00 O ATOM 426 CB ASP A 26 -10.127 -1.133 -8.380 1.00 0.00 C ATOM 427 CG ASP A 26 -11.598 -1.390 -8.615 1.00 0.00 C ATOM 428 OD1 ASP A 26 -11.930 -2.419 -9.239 1.00 0.00 O ATOM 429 OD2 ASP A 26 -12.426 -0.568 -8.183 1.00 0.00 O ATOM 0 H ASP A 26 -10.411 -3.580 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.517 -1.633 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.961 -0.059 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.561 -1.478 -9.245 1.00 0.00 H new ATOM 434 N ASP A 27 -11.321 -1.861 -5.405 1.00 0.00 N ATOM 435 CA ASP A 27 -11.945 -1.468 -4.141 1.00 0.00 C ATOM 436 C ASP A 27 -11.052 -1.854 -2.968 1.00 0.00 C ATOM 437 O ASP A 27 -11.148 -1.282 -1.882 1.00 0.00 O ATOM 438 CB ASP A 27 -13.324 -2.115 -3.964 1.00 0.00 C ATOM 439 CG ASP A 27 -14.408 -1.443 -4.781 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.497 -0.198 -4.752 1.00 0.00 O ATOM 441 OD2 ASP A 27 -15.198 -2.157 -5.433 1.00 0.00 O ATOM 0 H ASP A 27 -11.785 -2.632 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.075 -0.386 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.264 -3.166 -4.247 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.600 -2.084 -2.910 1.00 0.00 H new ATOM 446 N ASP A 28 -10.182 -2.828 -3.203 1.00 0.00 N ATOM 447 CA ASP A 28 -9.263 -3.311 -2.180 1.00 0.00 C ATOM 448 C ASP A 28 -8.092 -2.350 -2.050 1.00 0.00 C ATOM 449 O ASP A 28 -7.644 -2.037 -0.950 1.00 0.00 O ATOM 450 CB ASP A 28 -8.745 -4.705 -2.549 1.00 0.00 C ATOM 451 CG ASP A 28 -8.362 -5.527 -1.345 1.00 0.00 C ATOM 452 OD1 ASP A 28 -9.238 -6.231 -0.796 1.00 0.00 O ATOM 453 OD2 ASP A 28 -7.191 -5.484 -0.947 1.00 0.00 O ATOM 0 H ASP A 28 -10.093 -3.303 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.793 -3.371 -1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.512 -5.234 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.879 -4.604 -3.204 1.00 0.00 H new ATOM 458 N LEU A 29 -7.613 -1.874 -3.194 1.00 0.00 N ATOM 459 CA LEU A 29 -6.476 -0.967 -3.232 1.00 0.00 C ATOM 460 C LEU A 29 -6.873 0.429 -2.767 1.00 0.00 C ATOM 461 O LEU A 29 -6.219 1.019 -1.905 1.00 0.00 O ATOM 462 CB LEU A 29 -5.925 -0.893 -4.656 1.00 0.00 C ATOM 463 CG LEU A 29 -5.488 -2.230 -5.252 1.00 0.00 C ATOM 464 CD1 LEU A 29 -5.197 -2.078 -6.735 1.00 0.00 C ATOM 465 CD2 LEU A 29 -4.267 -2.767 -4.520 1.00 0.00 C ATOM 0 H LEU A 29 -7.998 -2.104 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.710 -1.350 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.687 -0.457 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.073 -0.213 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.302 -2.945 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.887 -3.039 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.096 -1.737 -7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.399 -1.349 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.970 -3.720 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.447 -2.055 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.508 -2.911 -3.467 1.00 0.00 H new ATOM 477 N GLN A 30 -7.965 0.944 -3.315 1.00 0.00 N ATOM 478 CA GLN A 30 -8.423 2.278 -2.969 1.00 0.00 C ATOM 479 C GLN A 30 -9.172 2.237 -1.644 1.00 0.00 C ATOM 480 O GLN A 30 -10.389 2.058 -1.604 1.00 0.00 O ATOM 481 CB GLN A 30 -9.302 2.852 -4.083 1.00 0.00 C ATOM 482 CG GLN A 30 -9.758 4.277 -3.833 1.00 0.00 C ATOM 483 CD GLN A 30 -10.477 4.877 -5.027 1.00 0.00 C ATOM 484 OE1 GLN A 30 -10.446 6.087 -5.237 1.00 0.00 O ATOM 485 NE2 GLN A 30 -11.134 4.040 -5.813 1.00 0.00 N ATOM 0 H GLN A 30 -8.547 0.459 -3.998 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.560 2.934 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.750 2.817 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.179 2.216 -4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.420 4.296 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.893 4.893 -3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.136 3.041 -5.606 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.638 4.393 -6.626 1.00 0.00 H new ATOM 494 N ALA A 31 -8.422 2.368 -0.561 1.00 0.00 N ATOM 495 CA ALA A 31 -8.978 2.249 0.771 1.00 0.00 C ATOM 496 C ALA A 31 -8.140 3.015 1.788 1.00 0.00 C ATOM 497 O ALA A 31 -8.584 4.017 2.346 1.00 0.00 O ATOM 498 CB ALA A 31 -9.066 0.781 1.157 1.00 0.00 C ATOM 0 H ALA A 31 -7.420 2.558 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.978 2.684 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.485 0.693 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.707 0.256 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.069 0.340 1.140 1.00 0.00 H new ATOM 504 N ALA A 32 -6.918 2.552 2.004 1.00 0.00 N ATOM 505 CA ALA A 32 -6.062 3.112 3.044 1.00 0.00 C ATOM 506 C ALA A 32 -5.201 4.261 2.518 1.00 0.00 C ATOM 507 O ALA A 32 -5.571 4.936 1.554 1.00 0.00 O ATOM 508 CB ALA A 32 -5.198 2.013 3.639 1.00 0.00 C ATOM 0 H ALA A 32 -6.495 1.790 1.474 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.700 3.529 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.559 2.433 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.836 1.242 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.578 1.574 2.857 1.00 0.00 H new ATOM 514 N ASP A 33 -4.056 4.474 3.169 1.00 0.00 N ATOM 515 CA ASP A 33 -3.169 5.601 2.878 1.00 0.00 C ATOM 516 C ASP A 33 -2.700 5.608 1.426 1.00 0.00 C ATOM 517 O ASP A 33 -3.097 6.473 0.645 1.00 0.00 O ATOM 518 CB ASP A 33 -1.953 5.559 3.809 1.00 0.00 C ATOM 519 CG ASP A 33 -0.951 6.659 3.517 1.00 0.00 C ATOM 520 OD1 ASP A 33 -1.108 7.773 4.057 1.00 0.00 O ATOM 521 OD2 ASP A 33 0.009 6.411 2.760 1.00 0.00 O ATOM 0 H ASP A 33 -3.717 3.867 3.916 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.739 6.515 3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.289 5.645 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.461 4.591 3.713 1.00 0.00 H new ATOM 526 N GLY A 34 -1.851 4.655 1.071 1.00 0.00 N ATOM 527 CA GLY A 34 -1.318 4.618 -0.276 1.00 0.00 C ATOM 528 C GLY A 34 0.175 4.360 -0.310 1.00 0.00 C ATOM 529 O GLY A 34 0.708 3.947 -1.336 1.00 0.00 O ATOM 0 H GLY A 34 -1.523 3.911 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.829 3.840 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.530 5.565 -0.772 1.00 0.00 H new ATOM 533 N HIS A 35 0.851 4.621 0.810 1.00 0.00 N ATOM 534 CA HIS A 35 2.284 4.330 0.938 1.00 0.00 C ATOM 535 C HIS A 35 2.606 2.920 0.431 1.00 0.00 C ATOM 536 O HIS A 35 1.834 1.985 0.653 1.00 0.00 O ATOM 537 CB HIS A 35 2.750 4.501 2.394 1.00 0.00 C ATOM 538 CG HIS A 35 2.118 3.554 3.376 1.00 0.00 C ATOM 539 ND1 HIS A 35 2.851 2.774 4.241 1.00 0.00 N ATOM 540 CD2 HIS A 35 0.820 3.276 3.638 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.032 2.057 4.988 1.00 0.00 C ATOM 542 NE2 HIS A 35 0.794 2.344 4.644 1.00 0.00 N ATOM 0 H HIS A 35 0.431 5.033 1.643 1.00 0.00 H new ATOM 0 HA HIS A 35 2.826 5.045 0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.832 4.372 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.540 5.523 2.710 1.00 0.00 H new ATOM 0 HD1 HIS A 35 3.869 2.753 4.296 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.038 3.709 3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.328 1.354 5.752 1.00 0.00 H new ATOM 551 N ALA A 36 3.756 2.781 -0.225 1.00 0.00 N ATOM 552 CA ALA A 36 4.117 1.554 -0.943 1.00 0.00 C ATOM 553 C ALA A 36 4.039 0.308 -0.062 1.00 0.00 C ATOM 554 O ALA A 36 3.707 -0.774 -0.543 1.00 0.00 O ATOM 555 CB ALA A 36 5.511 1.687 -1.534 1.00 0.00 C ATOM 0 H ALA A 36 4.465 3.513 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 36 3.386 1.426 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.770 0.771 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.533 2.527 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.231 1.858 -0.734 1.00 0.00 H new ATOM 561 N GLU A 37 4.337 0.465 1.223 1.00 0.00 N ATOM 562 CA GLU A 37 4.279 -0.644 2.173 1.00 0.00 C ATOM 563 C GLU A 37 2.882 -1.268 2.205 1.00 0.00 C ATOM 564 O GLU A 37 2.729 -2.460 2.479 1.00 0.00 O ATOM 565 CB GLU A 37 4.661 -0.180 3.581 1.00 0.00 C ATOM 566 CG GLU A 37 5.983 0.570 3.656 1.00 0.00 C ATOM 567 CD GLU A 37 5.837 2.035 3.308 1.00 0.00 C ATOM 568 OE1 GLU A 37 5.506 2.830 4.212 1.00 0.00 O ATOM 569 OE2 GLU A 37 6.026 2.400 2.133 1.00 0.00 O ATOM 0 H GLU A 37 4.623 1.354 1.634 1.00 0.00 H new ATOM 0 HA GLU A 37 4.995 -1.395 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.870 0.463 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.712 -1.050 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.393 0.478 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.699 0.108 2.976 1.00 0.00 H new ATOM 576 N TYR A 38 1.870 -0.462 1.911 1.00 0.00 N ATOM 577 CA TYR A 38 0.495 -0.940 1.891 1.00 0.00 C ATOM 578 C TYR A 38 0.253 -1.772 0.638 1.00 0.00 C ATOM 579 O TYR A 38 -0.445 -2.786 0.678 1.00 0.00 O ATOM 580 CB TYR A 38 -0.482 0.237 1.943 1.00 0.00 C ATOM 581 CG TYR A 38 -1.934 -0.181 1.945 1.00 0.00 C ATOM 582 CD1 TYR A 38 -2.509 -0.725 3.084 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.726 -0.030 0.815 1.00 0.00 C ATOM 584 CE1 TYR A 38 -3.837 -1.107 3.097 1.00 0.00 C ATOM 585 CE2 TYR A 38 -4.054 -0.411 0.820 1.00 0.00 C ATOM 586 CZ TYR A 38 -4.603 -0.948 1.962 1.00 0.00 C ATOM 587 OH TYR A 38 -5.927 -1.317 1.973 1.00 0.00 O ATOM 0 H TYR A 38 1.976 0.526 1.683 1.00 0.00 H new ATOM 0 HA TYR A 38 0.328 -1.564 2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.281 0.826 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.301 0.887 1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.910 -0.852 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.297 0.392 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.272 -1.528 3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.658 -0.288 -0.067 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.459 -0.615 2.403 1.00 0.00 H new ATOM 597 N LEU A 39 0.843 -1.337 -0.471 1.00 0.00 N ATOM 598 CA LEU A 39 0.753 -2.074 -1.723 1.00 0.00 C ATOM 599 C LEU A 39 1.424 -3.432 -1.565 1.00 0.00 C ATOM 600 O LEU A 39 0.892 -4.454 -1.999 1.00 0.00 O ATOM 601 CB LEU A 39 1.408 -1.281 -2.859 1.00 0.00 C ATOM 602 CG LEU A 39 1.223 -1.872 -4.259 1.00 0.00 C ATOM 603 CD1 LEU A 39 -0.254 -2.000 -4.588 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.922 -1.010 -5.297 1.00 0.00 C ATOM 0 H LEU A 39 1.389 -0.477 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.297 -2.223 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.004 -0.269 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.476 -1.199 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 39 1.671 -2.866 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.369 -2.422 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.733 -2.655 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.721 -1.016 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.780 -1.445 -6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.501 -0.005 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.987 -0.961 -5.072 1.00 0.00 H new ATOM 616 N VAL A 40 2.583 -3.430 -0.913 1.00 0.00 N ATOM 617 CA VAL A 40 3.294 -4.663 -0.595 1.00 0.00 C ATOM 618 C VAL A 40 2.403 -5.598 0.220 1.00 0.00 C ATOM 619 O VAL A 40 2.292 -6.789 -0.080 1.00 0.00 O ATOM 620 CB VAL A 40 4.591 -4.370 0.198 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.276 -5.657 0.634 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.541 -3.520 -0.632 1.00 0.00 C ATOM 0 H VAL A 40 3.052 -2.582 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 40 3.559 -5.144 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 40 4.315 -3.816 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.183 -5.417 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.602 -6.230 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.534 -6.248 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.448 -3.323 -0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.798 -4.051 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.059 -2.575 -0.884 1.00 0.00 H new ATOM 632 N GLY A 41 1.747 -5.038 1.232 1.00 0.00 N ATOM 633 CA GLY A 41 0.870 -5.821 2.081 1.00 0.00 C ATOM 634 C GLY A 41 -0.276 -6.450 1.314 1.00 0.00 C ATOM 635 O GLY A 41 -0.574 -7.632 1.488 1.00 0.00 O ATOM 0 H GLY A 41 1.809 -4.050 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.449 -6.605 2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.468 -5.183 2.868 1.00 0.00 H new ATOM 639 N LYS A 42 -0.912 -5.669 0.447 1.00 0.00 N ATOM 640 CA LYS A 42 -2.035 -6.165 -0.336 1.00 0.00 C ATOM 641 C LYS A 42 -1.579 -7.182 -1.381 1.00 0.00 C ATOM 642 O LYS A 42 -2.325 -8.098 -1.730 1.00 0.00 O ATOM 643 CB LYS A 42 -2.803 -5.008 -0.986 1.00 0.00 C ATOM 644 CG LYS A 42 -3.705 -4.263 -0.009 1.00 0.00 C ATOM 645 CD LYS A 42 -4.699 -5.214 0.643 1.00 0.00 C ATOM 646 CE LYS A 42 -5.624 -4.519 1.630 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.670 -3.728 0.940 1.00 0.00 N ATOM 0 H LYS A 42 -0.669 -4.694 0.270 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.714 -6.678 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.091 -4.306 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.408 -5.397 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.098 -3.782 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.242 -3.472 -0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.297 -5.693 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.153 -6.004 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.095 -5.263 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.040 -3.864 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.588 -3.890 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.431 -2.717 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.726 -4.021 -0.056 1.00 0.00 H new ATOM 661 N LEU A 43 -0.351 -7.043 -1.866 1.00 0.00 N ATOM 662 CA LEU A 43 0.221 -8.046 -2.755 1.00 0.00 C ATOM 663 C LEU A 43 0.413 -9.358 -2.004 1.00 0.00 C ATOM 664 O LEU A 43 0.184 -10.439 -2.546 1.00 0.00 O ATOM 665 CB LEU A 43 1.557 -7.578 -3.337 1.00 0.00 C ATOM 666 CG LEU A 43 1.462 -6.446 -4.361 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.850 -5.976 -4.765 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.682 -6.902 -5.584 1.00 0.00 C ATOM 0 H LEU A 43 0.262 -6.254 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.473 -8.198 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.197 -7.252 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.049 -8.430 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 43 0.933 -5.610 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.763 -5.170 -5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.382 -5.614 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.401 -6.807 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.623 -6.085 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.187 -7.753 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.324 -7.195 -5.285 1.00 0.00 H new ATOM 680 N GLN A 44 0.808 -9.252 -0.741 1.00 0.00 N ATOM 681 CA GLN A 44 0.996 -10.425 0.104 1.00 0.00 C ATOM 682 C GLN A 44 -0.344 -10.991 0.569 1.00 0.00 C ATOM 683 O GLN A 44 -0.412 -12.115 1.061 1.00 0.00 O ATOM 684 CB GLN A 44 1.866 -10.092 1.317 1.00 0.00 C ATOM 685 CG GLN A 44 3.290 -9.703 0.960 1.00 0.00 C ATOM 686 CD GLN A 44 4.181 -9.598 2.180 1.00 0.00 C ATOM 687 OE1 GLN A 44 4.316 -8.533 2.784 1.00 0.00 O ATOM 688 NE2 GLN A 44 4.794 -10.708 2.555 1.00 0.00 N ATOM 0 H GLN A 44 1.005 -8.364 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 44 1.503 -11.180 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.404 -9.275 1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.891 -10.955 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.704 -10.441 0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.282 -8.748 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.656 -11.570 2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.405 -10.702 3.372 1.00 0.00 H new ATOM 697 N GLU A 45 -1.405 -10.215 0.423 1.00 0.00 N ATOM 698 CA GLU A 45 -2.733 -10.679 0.797 1.00 0.00 C ATOM 699 C GLU A 45 -3.432 -11.343 -0.388 1.00 0.00 C ATOM 700 O GLU A 45 -3.891 -12.479 -0.288 1.00 0.00 O ATOM 701 CB GLU A 45 -3.584 -9.523 1.324 1.00 0.00 C ATOM 702 CG GLU A 45 -4.961 -9.960 1.796 1.00 0.00 C ATOM 703 CD GLU A 45 -5.801 -8.814 2.318 1.00 0.00 C ATOM 704 OE1 GLU A 45 -6.517 -8.185 1.517 1.00 0.00 O ATOM 705 OE2 GLU A 45 -5.766 -8.549 3.540 1.00 0.00 O ATOM 0 H GLU A 45 -1.375 -9.266 0.050 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.616 -11.417 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.060 -9.041 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.696 -8.776 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.486 -10.441 0.970 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.849 -10.708 2.581 1.00 0.00 H new ATOM 712 N ARG A 46 -3.502 -10.634 -1.508 1.00 0.00 N ATOM 713 CA ARG A 46 -4.218 -11.125 -2.682 1.00 0.00 C ATOM 714 C ARG A 46 -3.434 -12.235 -3.378 1.00 0.00 C ATOM 715 O ARG A 46 -3.981 -13.292 -3.688 1.00 0.00 O ATOM 716 CB ARG A 46 -4.477 -9.980 -3.661 1.00 0.00 C ATOM 717 CG ARG A 46 -5.542 -10.289 -4.703 1.00 0.00 C ATOM 718 CD ARG A 46 -6.909 -10.458 -4.057 1.00 0.00 C ATOM 719 NE ARG A 46 -7.973 -10.678 -5.033 1.00 0.00 N ATOM 720 CZ ARG A 46 -9.269 -10.516 -4.761 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.656 -10.159 -3.540 1.00 0.00 N ATOM 722 NH2 ARG A 46 -10.180 -10.719 -5.705 1.00 0.00 N ATOM 0 H ARG A 46 -3.072 -9.717 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.171 -11.534 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.778 -9.096 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.546 -9.732 -4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.581 -9.484 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.276 -11.199 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.877 -11.300 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.140 -9.570 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.711 -10.972 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.961 -10.008 -2.809 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.648 -10.036 -3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.890 -11.000 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.170 -10.594 -5.494 1.00 0.00 H new ATOM 736 N TYR A 47 -2.155 -11.985 -3.623 1.00 0.00 N ATOM 737 CA TYR A 47 -1.298 -12.957 -4.296 1.00 0.00 C ATOM 738 C TYR A 47 -0.587 -13.846 -3.289 1.00 0.00 C ATOM 739 O TYR A 47 -0.337 -15.024 -3.551 1.00 0.00 O ATOM 740 CB TYR A 47 -0.261 -12.250 -5.167 1.00 0.00 C ATOM 741 CG TYR A 47 -0.805 -11.707 -6.466 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.883 -12.517 -7.589 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.228 -10.388 -6.576 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.366 -12.032 -8.786 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.713 -9.894 -7.772 1.00 0.00 C ATOM 746 CZ TYR A 47 -1.778 -10.722 -8.875 1.00 0.00 C ATOM 747 OH TYR A 47 -2.261 -10.240 -10.071 1.00 0.00 O ATOM 0 H TYR A 47 -1.686 -11.117 -3.366 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.936 -13.576 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.175 -11.429 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.546 -12.948 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.560 -13.546 -7.525 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.177 -9.739 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.421 -12.678 -9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.039 -8.867 -7.843 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.740 -10.954 -10.542 1.00 0.00 H new ATOM 757 N GLY A 48 -0.242 -13.270 -2.147 1.00 0.00 N ATOM 758 CA GLY A 48 0.435 -14.024 -1.113 1.00 0.00 C ATOM 759 C GLY A 48 1.908 -14.206 -1.408 1.00 0.00 C ATOM 760 O GLY A 48 2.467 -15.275 -1.167 1.00 0.00 O ATOM 0 H GLY A 48 -0.419 -12.292 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.318 -13.512 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.037 -15.001 -1.011 1.00 0.00 H new ATOM 764 N TRP A 49 2.539 -13.165 -1.933 1.00 0.00 N ATOM 765 CA TRP A 49 3.955 -13.234 -2.270 1.00 0.00 C ATOM 766 C TRP A 49 4.822 -12.968 -1.051 1.00 0.00 C ATOM 767 O TRP A 49 4.326 -12.622 0.024 1.00 0.00 O ATOM 768 CB TRP A 49 4.314 -12.212 -3.350 1.00 0.00 C ATOM 769 CG TRP A 49 3.738 -12.501 -4.698 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.487 -13.723 -5.251 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.368 -11.532 -5.679 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.970 -13.570 -6.514 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.889 -12.231 -6.801 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.391 -10.136 -5.713 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.440 -11.580 -7.946 1.00 0.00 C ATOM 776 CZ3 TRP A 49 2.945 -9.491 -6.848 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.473 -10.213 -7.949 1.00 0.00 C ATOM 0 H TRP A 49 2.097 -12.268 -2.134 1.00 0.00 H new ATOM 0 HA TRP A 49 4.143 -14.242 -2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.974 -11.228 -3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.399 -12.161 -3.437 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.668 -14.671 -4.767 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.692 -14.328 -7.137 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.752 -9.571 -4.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.079 -12.134 -8.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.961 -8.412 -6.887 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.127 -9.679 -8.821 1.00 0.00 H new ATOM 788 N SER A 50 6.119 -13.143 -1.237 1.00 0.00 N ATOM 789 CA SER A 50 7.093 -12.797 -0.224 1.00 0.00 C ATOM 790 C SER A 50 7.183 -11.273 -0.102 1.00 0.00 C ATOM 791 O SER A 50 6.862 -10.553 -1.052 1.00 0.00 O ATOM 792 CB SER A 50 8.444 -13.384 -0.619 1.00 0.00 C ATOM 793 OG SER A 50 8.269 -14.560 -1.396 1.00 0.00 O ATOM 0 H SER A 50 6.522 -13.527 -2.091 1.00 0.00 H new ATOM 0 HA SER A 50 6.795 -13.205 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.015 -12.648 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.022 -13.615 0.276 1.00 0.00 H new ATOM 0 HG SER A 50 9.145 -14.923 -1.642 1.00 0.00 H new ATOM 799 N LYS A 51 7.623 -10.790 1.052 1.00 0.00 N ATOM 800 CA LYS A 51 7.665 -9.357 1.320 1.00 0.00 C ATOM 801 C LYS A 51 8.586 -8.643 0.332 1.00 0.00 C ATOM 802 O LYS A 51 8.183 -7.679 -0.321 1.00 0.00 O ATOM 803 CB LYS A 51 8.111 -9.114 2.769 1.00 0.00 C ATOM 804 CG LYS A 51 8.133 -7.650 3.187 1.00 0.00 C ATOM 805 CD LYS A 51 9.486 -7.008 2.933 1.00 0.00 C ATOM 806 CE LYS A 51 9.527 -5.579 3.439 1.00 0.00 C ATOM 807 NZ LYS A 51 10.852 -4.950 3.197 1.00 0.00 N ATOM 0 H LYS A 51 7.957 -11.371 1.821 1.00 0.00 H new ATOM 0 HA LYS A 51 6.665 -8.944 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.444 -9.659 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.109 -9.532 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.364 -7.105 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.887 -7.571 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.265 -7.591 3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.702 -7.023 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.751 -4.995 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.306 -5.564 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.729 -3.928 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.467 -5.107 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.289 -5.374 2.354 1.00 0.00 H new ATOM 821 N GLU A 52 9.810 -9.140 0.205 1.00 0.00 N ATOM 822 CA GLU A 52 10.800 -8.524 -0.669 1.00 0.00 C ATOM 823 C GLU A 52 10.415 -8.722 -2.132 1.00 0.00 C ATOM 824 O GLU A 52 10.683 -7.869 -2.981 1.00 0.00 O ATOM 825 CB GLU A 52 12.183 -9.115 -0.393 1.00 0.00 C ATOM 826 CG GLU A 52 13.281 -8.549 -1.276 1.00 0.00 C ATOM 827 CD GLU A 52 14.645 -9.092 -0.920 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.954 -10.240 -1.305 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.416 -8.375 -0.253 1.00 0.00 O ATOM 0 H GLU A 52 10.141 -9.970 0.697 1.00 0.00 H new ATOM 0 HA GLU A 52 10.831 -7.454 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.442 -8.937 0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.140 -10.195 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.061 -8.781 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.291 -7.463 -1.187 1.00 0.00 H new ATOM 836 N ARG A 53 9.773 -9.849 -2.412 1.00 0.00 N ATOM 837 CA ARG A 53 9.303 -10.152 -3.758 1.00 0.00 C ATOM 838 C ARG A 53 8.313 -9.094 -4.220 1.00 0.00 C ATOM 839 O ARG A 53 8.409 -8.580 -5.335 1.00 0.00 O ATOM 840 CB ARG A 53 8.641 -11.528 -3.797 1.00 0.00 C ATOM 841 CG ARG A 53 8.219 -11.957 -5.191 1.00 0.00 C ATOM 842 CD ARG A 53 7.489 -13.286 -5.162 1.00 0.00 C ATOM 843 NE ARG A 53 8.274 -14.332 -4.510 1.00 0.00 N ATOM 844 CZ ARG A 53 8.129 -15.633 -4.754 1.00 0.00 C ATOM 845 NH1 ARG A 53 7.292 -16.046 -5.700 1.00 0.00 N ATOM 846 NH2 ARG A 53 8.840 -16.518 -4.068 1.00 0.00 N ATOM 0 H ARG A 53 9.565 -10.571 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 53 10.163 -10.155 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.332 -12.267 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.766 -11.520 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.574 -11.195 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.098 -12.036 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.540 -13.166 -4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.254 -13.592 -6.181 1.00 0.00 H new ATOM 0 HE ARG A 53 8.976 -14.048 -3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.759 -15.366 -6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.183 -17.043 -5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.497 -16.202 -3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.730 -17.515 -4.254 1.00 0.00 H new ATOM 860 N ALA A 54 7.368 -8.767 -3.345 1.00 0.00 N ATOM 861 CA ALA A 54 6.356 -7.767 -3.646 1.00 0.00 C ATOM 862 C ALA A 54 6.999 -6.406 -3.897 1.00 0.00 C ATOM 863 O ALA A 54 6.582 -5.673 -4.793 1.00 0.00 O ATOM 864 CB ALA A 54 5.344 -7.684 -2.515 1.00 0.00 C ATOM 0 H ALA A 54 7.284 -9.184 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 54 5.834 -8.066 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.592 -6.932 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.860 -8.652 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.853 -7.408 -1.591 1.00 0.00 H new ATOM 870 N GLU A 55 8.029 -6.089 -3.113 1.00 0.00 N ATOM 871 CA GLU A 55 8.764 -4.838 -3.271 1.00 0.00 C ATOM 872 C GLU A 55 9.353 -4.729 -4.674 1.00 0.00 C ATOM 873 O GLU A 55 9.236 -3.695 -5.331 1.00 0.00 O ATOM 874 CB GLU A 55 9.887 -4.745 -2.241 1.00 0.00 C ATOM 875 CG GLU A 55 9.401 -4.728 -0.803 1.00 0.00 C ATOM 876 CD GLU A 55 10.529 -4.536 0.185 1.00 0.00 C ATOM 877 OE1 GLU A 55 11.192 -5.528 0.542 1.00 0.00 O ATOM 878 OE2 GLU A 55 10.752 -3.392 0.625 1.00 0.00 O ATOM 0 H GLU A 55 8.373 -6.685 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 55 8.064 -4.017 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.562 -5.590 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.466 -3.841 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.672 -3.927 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.886 -5.664 -0.585 1.00 0.00 H new ATOM 885 N GLN A 56 9.981 -5.808 -5.125 1.00 0.00 N ATOM 886 CA GLN A 56 10.585 -5.847 -6.453 1.00 0.00 C ATOM 887 C GLN A 56 9.536 -5.644 -7.545 1.00 0.00 C ATOM 888 O GLN A 56 9.790 -4.963 -8.539 1.00 0.00 O ATOM 889 CB GLN A 56 11.324 -7.171 -6.678 1.00 0.00 C ATOM 890 CG GLN A 56 12.534 -7.364 -5.775 1.00 0.00 C ATOM 891 CD GLN A 56 13.554 -6.245 -5.906 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.664 -5.600 -6.951 1.00 0.00 O ATOM 893 NE2 GLN A 56 14.318 -6.015 -4.850 1.00 0.00 N ATOM 0 H GLN A 56 10.086 -6.670 -4.590 1.00 0.00 H new ATOM 0 HA GLN A 56 11.303 -5.029 -6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.629 -7.995 -6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.647 -7.223 -7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.202 -7.426 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.012 -8.314 -6.014 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.197 -6.570 -4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.027 -5.283 -4.884 1.00 0.00 H new ATOM 902 N GLU A 57 8.355 -6.222 -7.350 1.00 0.00 N ATOM 903 CA GLU A 57 7.272 -6.090 -8.321 1.00 0.00 C ATOM 904 C GLU A 57 6.788 -4.642 -8.397 1.00 0.00 C ATOM 905 O GLU A 57 6.542 -4.113 -9.482 1.00 0.00 O ATOM 906 CB GLU A 57 6.105 -7.018 -7.968 1.00 0.00 C ATOM 907 CG GLU A 57 6.499 -8.486 -7.867 1.00 0.00 C ATOM 908 CD GLU A 57 7.149 -9.013 -9.132 1.00 0.00 C ATOM 909 OE1 GLU A 57 8.389 -8.932 -9.251 1.00 0.00 O ATOM 910 OE2 GLU A 57 6.426 -9.525 -10.013 1.00 0.00 O ATOM 0 H GLU A 57 8.123 -6.785 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 57 7.661 -6.380 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.674 -6.700 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.326 -6.911 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.186 -8.615 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.612 -9.080 -7.646 1.00 0.00 H new ATOM 917 N VAL A 58 6.664 -4.002 -7.239 1.00 0.00 N ATOM 918 CA VAL A 58 6.282 -2.595 -7.176 1.00 0.00 C ATOM 919 C VAL A 58 7.362 -1.723 -7.812 1.00 0.00 C ATOM 920 O VAL A 58 7.073 -0.692 -8.419 1.00 0.00 O ATOM 921 CB VAL A 58 6.053 -2.137 -5.717 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.667 -0.665 -5.658 1.00 0.00 C ATOM 923 CG2 VAL A 58 4.989 -2.990 -5.047 1.00 0.00 C ATOM 0 H VAL A 58 6.823 -4.436 -6.330 1.00 0.00 H new ATOM 0 HA VAL A 58 5.348 -2.485 -7.727 1.00 0.00 H new ATOM 0 HB VAL A 58 6.991 -2.264 -5.177 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.512 -0.371 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.465 -0.062 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.747 -0.507 -6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.843 -2.651 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.051 -2.900 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.308 -4.032 -5.043 1.00 0.00 H new ATOM 933 N ARG A 59 8.605 -2.163 -7.682 1.00 0.00 N ATOM 934 CA ARG A 59 9.746 -1.429 -8.209 1.00 0.00 C ATOM 935 C ARG A 59 9.690 -1.337 -9.732 1.00 0.00 C ATOM 936 O ARG A 59 9.983 -0.287 -10.302 1.00 0.00 O ATOM 937 CB ARG A 59 11.043 -2.096 -7.748 1.00 0.00 C ATOM 938 CG ARG A 59 12.303 -1.347 -8.144 1.00 0.00 C ATOM 939 CD ARG A 59 13.408 -1.586 -7.131 1.00 0.00 C ATOM 940 NE ARG A 59 13.039 -1.065 -5.814 1.00 0.00 N ATOM 941 CZ ARG A 59 13.200 -1.729 -4.667 1.00 0.00 C ATOM 942 NH1 ARG A 59 13.732 -2.944 -4.668 1.00 0.00 N ATOM 943 NH2 ARG A 59 12.833 -1.174 -3.518 1.00 0.00 N ATOM 0 H ARG A 59 8.850 -3.034 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 59 9.714 -0.410 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.020 -2.198 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.087 -3.103 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.631 -1.673 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.091 -0.280 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.614 -2.654 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.326 -1.107 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 59 12.631 -0.131 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.020 -3.374 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.853 -3.448 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.427 -0.238 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.957 -1.683 -2.643 1.00 0.00 H new ATOM 957 N ASP A 60 9.297 -2.430 -10.386 1.00 0.00 N ATOM 958 CA ASP A 60 9.143 -2.442 -11.843 1.00 0.00 C ATOM 959 C ASP A 60 8.051 -1.462 -12.262 1.00 0.00 C ATOM 960 O ASP A 60 8.203 -0.707 -13.224 1.00 0.00 O ATOM 961 CB ASP A 60 8.798 -3.851 -12.336 1.00 0.00 C ATOM 962 CG ASP A 60 8.648 -3.926 -13.846 1.00 0.00 C ATOM 963 OD1 ASP A 60 9.682 -4.003 -14.546 1.00 0.00 O ATOM 964 OD2 ASP A 60 7.497 -3.922 -14.340 1.00 0.00 O ATOM 0 H ASP A 60 9.080 -3.317 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 60 10.088 -2.138 -12.293 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.578 -4.543 -12.018 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.870 -4.178 -11.867 1.00 0.00 H new ATOM 969 N PHE A 61 6.958 -1.474 -11.509 1.00 0.00 N ATOM 970 CA PHE A 61 5.839 -0.574 -11.749 1.00 0.00 C ATOM 971 C PHE A 61 6.261 0.882 -11.548 1.00 0.00 C ATOM 972 O PHE A 61 5.972 1.739 -12.380 1.00 0.00 O ATOM 973 CB PHE A 61 4.681 -0.934 -10.810 1.00 0.00 C ATOM 974 CG PHE A 61 3.476 -0.041 -10.933 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.678 -0.078 -12.067 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.138 0.828 -9.909 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.569 0.740 -12.177 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.028 1.647 -10.014 1.00 0.00 C ATOM 979 CZ PHE A 61 1.243 1.601 -11.148 1.00 0.00 C ATOM 0 H PHE A 61 6.823 -2.105 -10.719 1.00 0.00 H new ATOM 0 HA PHE A 61 5.510 -0.687 -12.782 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.377 -1.962 -11.007 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.040 -0.899 -9.781 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.926 -0.753 -12.873 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.748 0.867 -9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.958 0.706 -13.067 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.776 2.322 -9.209 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.375 2.238 -11.231 1.00 0.00 H new ATOM 989 N SER A 62 6.967 1.143 -10.454 1.00 0.00 N ATOM 990 CA SER A 62 7.390 2.497 -10.106 1.00 0.00 C ATOM 991 C SER A 62 8.439 3.027 -11.083 1.00 0.00 C ATOM 992 O SER A 62 8.528 4.233 -11.317 1.00 0.00 O ATOM 993 CB SER A 62 7.952 2.517 -8.686 1.00 0.00 C ATOM 994 OG SER A 62 7.012 1.999 -7.761 1.00 0.00 O ATOM 0 H SER A 62 7.261 0.429 -9.787 1.00 0.00 H new ATOM 0 HA SER A 62 6.516 3.145 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.869 1.929 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.215 3.538 -8.409 1.00 0.00 H new ATOM 0 HG SER A 62 6.918 1.033 -7.896 1.00 0.00 H new ATOM 1000 N ASP A 63 9.231 2.123 -11.647 1.00 0.00 N ATOM 1001 CA ASP A 63 10.294 2.502 -12.573 1.00 0.00 C ATOM 1002 C ASP A 63 9.727 3.172 -13.817 1.00 0.00 C ATOM 1003 O ASP A 63 10.200 4.229 -14.239 1.00 0.00 O ATOM 1004 CB ASP A 63 11.113 1.276 -12.984 1.00 0.00 C ATOM 1005 CG ASP A 63 12.162 1.608 -14.029 1.00 0.00 C ATOM 1006 OD1 ASP A 63 13.224 2.145 -13.658 1.00 0.00 O ATOM 1007 OD2 ASP A 63 11.926 1.335 -15.226 1.00 0.00 O ATOM 0 H ASP A 63 9.158 1.120 -11.479 1.00 0.00 H new ATOM 0 HA ASP A 63 10.941 3.212 -12.057 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.600 0.856 -12.104 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.444 0.509 -13.375 1.00 0.00 H new ATOM 1012 N ARG A 64 8.692 2.572 -14.381 1.00 0.00 N ATOM 1013 CA ARG A 64 8.122 3.058 -15.630 1.00 0.00 C ATOM 1014 C ARG A 64 7.055 4.123 -15.387 1.00 0.00 C ATOM 1015 O ARG A 64 6.275 4.451 -16.279 1.00 0.00 O ATOM 1016 CB ARG A 64 7.565 1.885 -16.435 1.00 0.00 C ATOM 1017 CG ARG A 64 8.651 0.913 -16.862 1.00 0.00 C ATOM 1018 CD ARG A 64 8.099 -0.249 -17.665 1.00 0.00 C ATOM 1019 NE ARG A 64 9.166 -1.141 -18.119 1.00 0.00 N ATOM 1020 CZ ARG A 64 8.983 -2.168 -18.948 1.00 0.00 C ATOM 1021 NH1 ARG A 64 7.765 -2.468 -19.378 1.00 0.00 N ATOM 1022 NH2 ARG A 64 10.018 -2.898 -19.341 1.00 0.00 N ATOM 0 H ARG A 64 8.229 1.749 -13.996 1.00 0.00 H new ATOM 0 HA ARG A 64 8.914 3.534 -16.208 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.822 1.357 -15.837 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.052 2.264 -17.319 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.396 1.442 -17.457 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.162 0.531 -15.978 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.389 -0.809 -17.056 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.550 0.131 -18.526 1.00 0.00 H new ATOM 0 HE ARG A 64 10.111 -0.965 -17.779 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.966 -1.912 -19.074 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.628 -3.255 -20.013 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.956 -2.674 -19.009 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.876 -3.684 -19.976 1.00 0.00 H new ATOM 1036 N LEU A 65 7.043 4.670 -14.180 1.00 0.00 N ATOM 1037 CA LEU A 65 6.188 5.803 -13.860 1.00 0.00 C ATOM 1038 C LEU A 65 6.982 7.094 -13.993 1.00 0.00 C ATOM 1039 O LEU A 65 7.582 7.535 -12.988 1.00 0.00 O ATOM 1040 CB LEU A 65 5.622 5.682 -12.441 1.00 0.00 C ATOM 1041 CG LEU A 65 4.645 4.526 -12.223 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.185 4.485 -10.775 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.449 4.650 -13.156 1.00 0.00 C ATOM 1044 OXT LEU A 65 7.039 7.646 -15.109 1.00 0.00 O ATOM 0 H LEU A 65 7.619 4.345 -13.403 1.00 0.00 H new ATOM 0 HA LEU A 65 5.352 5.813 -14.559 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.453 5.570 -11.745 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.118 6.615 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 65 5.162 3.594 -12.450 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.490 3.656 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.048 4.347 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.687 5.422 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.766 3.818 -12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.932 5.590 -12.962 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.791 4.631 -14.191 1.00 0.00 H new TER 1056 LEU A 65