USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 21 ASN : amide:sc= 0.928 K(o=2.6,f=1.1) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.65 K(o=2.6,f=1.1) USER MOD Single : A 1 LYS N :NH3+ -173:sc= 0 (180deg=-0.072) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.102 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 7:sc= 1.29 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 153:sc= 1.22 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.01) USER MOD Single : A 33 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.3) USER MOD Single : A 34 THR OG1 : rot 84:sc= 0.929 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0513 (180deg=-0.282) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 77:sc= 0.201 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0285) USER MOD Single : A 56 ASN : amide:sc= -0.0516 X(o=-0.052,f=-0.12) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.99 X(o=-2,f=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.22) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.683 K(o=0.68,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.157 6.941 -0.835 1.00 0.00 N ATOM 2 CA LYS A 1 -12.645 5.576 -0.797 1.00 0.00 C ATOM 3 C LYS A 1 -12.736 4.994 0.620 1.00 0.00 C ATOM 4 O LYS A 1 -12.044 5.445 1.532 1.00 0.00 O ATOM 5 CB LYS A 1 -11.200 5.529 -1.315 1.00 0.00 C ATOM 6 CG LYS A 1 -11.061 5.958 -2.782 1.00 0.00 C ATOM 7 CD LYS A 1 -11.953 5.111 -3.700 1.00 0.00 C ATOM 8 CE LYS A 1 -11.497 5.222 -5.158 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.374 4.450 -6.058 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.195 7.270 -1.821 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.112 6.965 -0.424 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.529 7.563 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.264 4.962 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.579 6.176 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.815 4.515 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.328 7.010 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -10.021 5.862 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.922 4.068 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.988 5.440 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.494 6.269 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.472 4.861 -5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.038 4.546 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.357 3.447 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.347 4.811 -5.989 1.00 0.00 H new ATOM 23 N SER A 2 -13.594 3.986 0.806 1.00 0.00 N ATOM 24 CA SER A 2 -13.858 3.394 2.105 1.00 0.00 C ATOM 25 C SER A 2 -12.726 2.430 2.504 1.00 0.00 C ATOM 26 O SER A 2 -12.069 1.854 1.632 1.00 0.00 O ATOM 27 CB SER A 2 -15.219 2.686 2.044 1.00 0.00 C ATOM 28 OG SER A 2 -15.838 2.796 0.765 1.00 0.00 O ATOM 0 H SER A 2 -14.126 3.560 0.047 1.00 0.00 H new ATOM 0 HA SER A 2 -13.893 4.167 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.087 1.632 2.290 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.879 3.110 2.801 1.00 0.00 H new ATOM 0 HG SER A 2 -16.699 2.328 0.777 1.00 0.00 H new ATOM 34 N PRO A 3 -12.506 2.204 3.811 1.00 0.00 N ATOM 35 CA PRO A 3 -11.473 1.303 4.293 1.00 0.00 C ATOM 36 C PRO A 3 -11.600 -0.088 3.678 1.00 0.00 C ATOM 37 O PRO A 3 -10.591 -0.670 3.296 1.00 0.00 O ATOM 38 CB PRO A 3 -11.607 1.270 5.814 1.00 0.00 C ATOM 39 CG PRO A 3 -13.046 1.718 6.059 1.00 0.00 C ATOM 40 CD PRO A 3 -13.291 2.711 4.922 1.00 0.00 C ATOM 0 HA PRO A 3 -10.484 1.654 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.425 0.271 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.892 1.938 6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.742 0.880 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.163 2.186 7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.349 2.766 4.666 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.978 3.717 5.201 1.00 0.00 H new ATOM 48 N GLU A 4 -12.813 -0.630 3.547 1.00 0.00 N ATOM 49 CA GLU A 4 -13.016 -1.934 2.971 1.00 0.00 C ATOM 50 C GLU A 4 -12.611 -1.984 1.494 1.00 0.00 C ATOM 51 O GLU A 4 -12.171 -3.026 1.004 1.00 0.00 O ATOM 52 CB GLU A 4 -14.494 -2.245 3.133 1.00 0.00 C ATOM 53 CG GLU A 4 -15.017 -2.062 4.566 1.00 0.00 C ATOM 54 CD GLU A 4 -16.077 -0.989 4.592 1.00 0.00 C ATOM 55 OE1 GLU A 4 -15.713 0.195 4.421 1.00 0.00 O ATOM 56 OE2 GLU A 4 -17.269 -1.362 4.702 1.00 0.00 O ATOM 0 H GLU A 4 -13.673 -0.167 3.841 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.390 -2.671 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.066 -1.602 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.675 -3.273 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.429 -3.001 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.196 -1.791 5.230 1.00 0.00 H new ATOM 63 N GLU A 5 -12.766 -0.871 0.771 1.00 0.00 N ATOM 64 CA GLU A 5 -12.307 -0.781 -0.605 1.00 0.00 C ATOM 65 C GLU A 5 -10.787 -0.901 -0.591 1.00 0.00 C ATOM 66 O GLU A 5 -10.208 -1.663 -1.360 1.00 0.00 O ATOM 67 CB GLU A 5 -12.748 0.543 -1.242 1.00 0.00 C ATOM 68 CG GLU A 5 -14.254 0.785 -1.093 1.00 0.00 C ATOM 69 CD GLU A 5 -15.078 -0.192 -1.905 1.00 0.00 C ATOM 70 OE1 GLU A 5 -14.949 -0.182 -3.146 1.00 0.00 O ATOM 71 OE2 GLU A 5 -15.910 -0.927 -1.310 1.00 0.00 O ATOM 0 H GLU A 5 -13.208 -0.022 1.123 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.743 -1.581 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.202 1.366 -0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.485 0.540 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.530 0.703 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.489 1.802 -1.406 1.00 0.00 H new ATOM 78 N LEU A 6 -10.149 -0.163 0.320 1.00 0.00 N ATOM 79 CA LEU A 6 -8.702 -0.166 0.462 1.00 0.00 C ATOM 80 C LEU A 6 -8.210 -1.549 0.907 1.00 0.00 C ATOM 81 O LEU A 6 -7.161 -1.996 0.457 1.00 0.00 O ATOM 82 CB LEU A 6 -8.253 0.980 1.378 1.00 0.00 C ATOM 83 CG LEU A 6 -8.494 2.357 0.723 1.00 0.00 C ATOM 84 CD1 LEU A 6 -8.536 3.456 1.786 1.00 0.00 C ATOM 85 CD2 LEU A 6 -7.406 2.698 -0.302 1.00 0.00 C ATOM 0 H LEU A 6 -10.627 0.452 0.978 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.234 0.021 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.795 0.926 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.194 0.867 1.611 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.453 2.301 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.707 4.420 1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.344 3.252 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.587 3.480 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.612 3.675 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.435 2.720 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.397 1.943 -1.088 1.00 0.00 H new ATOM 97 N LYS A 7 -8.970 -2.265 1.740 1.00 0.00 N ATOM 98 CA LYS A 7 -8.749 -3.664 2.054 1.00 0.00 C ATOM 99 C LYS A 7 -8.774 -4.520 0.790 1.00 0.00 C ATOM 100 O LYS A 7 -7.852 -5.302 0.561 1.00 0.00 O ATOM 101 CB LYS A 7 -9.808 -4.100 3.074 1.00 0.00 C ATOM 102 CG LYS A 7 -9.367 -5.347 3.840 1.00 0.00 C ATOM 103 CD LYS A 7 -10.233 -5.583 5.081 1.00 0.00 C ATOM 104 CE LYS A 7 -11.532 -6.360 4.799 1.00 0.00 C ATOM 105 NZ LYS A 7 -12.101 -6.943 6.032 1.00 0.00 N ATOM 0 H LYS A 7 -9.776 -1.869 2.224 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.760 -3.801 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.995 -3.287 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.748 -4.300 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.425 -6.216 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.324 -5.241 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.648 -6.129 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.487 -4.620 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.263 -5.693 4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.332 -7.154 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.975 -7.458 5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.414 -7.599 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.316 -6.183 6.708 1.00 0.00 H new ATOM 119 N GLY A 8 -9.807 -4.352 -0.041 1.00 0.00 N ATOM 120 CA GLY A 8 -9.924 -5.088 -1.290 1.00 0.00 C ATOM 121 C GLY A 8 -8.697 -4.844 -2.164 1.00 0.00 C ATOM 122 O GLY A 8 -8.023 -5.782 -2.584 1.00 0.00 O ATOM 0 H GLY A 8 -10.576 -3.706 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.027 -6.153 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.824 -4.778 -1.820 1.00 0.00 H new ATOM 126 N ILE A 9 -8.390 -3.569 -2.401 1.00 0.00 N ATOM 127 CA ILE A 9 -7.243 -3.113 -3.171 1.00 0.00 C ATOM 128 C ILE A 9 -5.949 -3.726 -2.618 1.00 0.00 C ATOM 129 O ILE A 9 -5.168 -4.302 -3.375 1.00 0.00 O ATOM 130 CB ILE A 9 -7.231 -1.574 -3.158 1.00 0.00 C ATOM 131 CG1 ILE A 9 -8.432 -0.989 -3.930 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.908 -0.992 -3.660 1.00 0.00 C ATOM 133 CD1 ILE A 9 -8.225 -0.901 -5.446 1.00 0.00 C ATOM 0 H ILE A 9 -8.958 -2.799 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.315 -3.444 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.329 -1.274 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.311 -1.602 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.645 0.009 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.955 0.097 -3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.093 -1.338 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.732 -1.319 -4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.116 -0.479 -5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.368 -0.263 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.044 -1.898 -5.847 1.00 0.00 H new ATOM 145 N PHE A 10 -5.708 -3.605 -1.308 1.00 0.00 N ATOM 146 CA PHE A 10 -4.566 -4.224 -0.659 1.00 0.00 C ATOM 147 C PHE A 10 -4.523 -5.719 -0.989 1.00 0.00 C ATOM 148 O PHE A 10 -3.511 -6.171 -1.508 1.00 0.00 O ATOM 149 CB PHE A 10 -4.597 -3.977 0.856 1.00 0.00 C ATOM 150 CG PHE A 10 -3.470 -4.675 1.598 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.593 -6.061 1.861 1.00 0.00 C ATOM 152 CD2 PHE A 10 -2.210 -4.071 1.716 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.457 -6.866 1.858 1.00 0.00 C ATOM 154 CE2 PHE A 10 -1.075 -4.873 1.970 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.183 -6.266 1.911 1.00 0.00 C ATOM 0 H PHE A 10 -6.305 -3.073 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.652 -3.768 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.538 -2.905 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.552 -4.319 1.254 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.563 -6.491 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.108 -3.001 1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.551 -7.941 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.128 -4.412 2.209 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.294 -6.879 1.906 1.00 0.00 H new ATOM 165 N GLU A 11 -5.582 -6.491 -0.710 1.00 0.00 N ATOM 166 CA GLU A 11 -5.559 -7.936 -0.931 1.00 0.00 C ATOM 167 C GLU A 11 -5.258 -8.244 -2.401 1.00 0.00 C ATOM 168 O GLU A 11 -4.432 -9.110 -2.701 1.00 0.00 O ATOM 169 CB GLU A 11 -6.872 -8.591 -0.470 1.00 0.00 C ATOM 170 CG GLU A 11 -6.698 -10.111 -0.309 1.00 0.00 C ATOM 171 CD GLU A 11 -8.007 -10.840 -0.103 1.00 0.00 C ATOM 172 OE1 GLU A 11 -8.673 -11.148 -1.111 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.442 -11.039 1.054 1.00 0.00 O ATOM 0 H GLU A 11 -6.461 -6.137 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.760 -8.365 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.188 -8.154 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.660 -8.385 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.203 -10.510 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.042 -10.308 0.539 1.00 0.00 H new ATOM 180 N LYS A 12 -5.921 -7.523 -3.310 1.00 0.00 N ATOM 181 CA LYS A 12 -5.769 -7.639 -4.736 1.00 0.00 C ATOM 182 C LYS A 12 -4.303 -7.471 -5.141 1.00 0.00 C ATOM 183 O LYS A 12 -3.744 -8.374 -5.770 1.00 0.00 O ATOM 184 CB LYS A 12 -6.662 -6.583 -5.392 1.00 0.00 C ATOM 185 CG LYS A 12 -8.115 -7.044 -5.560 1.00 0.00 C ATOM 186 CD LYS A 12 -9.026 -5.921 -6.084 1.00 0.00 C ATOM 187 CE LYS A 12 -8.421 -5.204 -7.304 1.00 0.00 C ATOM 188 NZ LYS A 12 -9.410 -4.386 -8.033 1.00 0.00 N ATOM 0 H LYS A 12 -6.605 -6.815 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.072 -8.631 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.643 -5.675 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.253 -6.326 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.149 -7.888 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.494 -7.399 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.996 -6.338 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.201 -5.196 -5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.600 -4.567 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.998 -5.945 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.950 -3.926 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.182 -4.995 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.796 -3.660 -7.397 1.00 0.00 H new ATOM 202 N TYR A 13 -3.672 -6.330 -4.832 1.00 0.00 N ATOM 203 CA TYR A 13 -2.286 -6.137 -5.233 1.00 0.00 C ATOM 204 C TYR A 13 -1.334 -7.037 -4.445 1.00 0.00 C ATOM 205 O TYR A 13 -0.399 -7.558 -5.041 1.00 0.00 O ATOM 206 CB TYR A 13 -1.888 -4.659 -5.195 1.00 0.00 C ATOM 207 CG TYR A 13 -2.377 -3.907 -6.420 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.701 -3.443 -6.469 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.488 -3.589 -7.465 1.00 0.00 C ATOM 210 CE1 TYR A 13 -4.158 -2.724 -7.585 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.961 -2.922 -8.608 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.291 -2.478 -8.662 1.00 0.00 C ATOM 213 OH TYR A 13 -3.745 -1.892 -9.804 1.00 0.00 O ATOM 0 H TYR A 13 -4.090 -5.552 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.197 -6.448 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.298 -4.196 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.803 -4.577 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.371 -3.640 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.445 -3.857 -7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.175 -2.361 -7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.301 -2.751 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.672 -1.602 -9.677 1.00 0.00 H new ATOM 223 N ALA A 14 -1.572 -7.284 -3.151 1.00 0.00 N ATOM 224 CA ALA A 14 -0.753 -8.197 -2.359 1.00 0.00 C ATOM 225 C ALA A 14 -0.592 -9.582 -2.988 1.00 0.00 C ATOM 226 O ALA A 14 0.373 -10.276 -2.657 1.00 0.00 O ATOM 227 CB ALA A 14 -1.332 -8.316 -0.954 1.00 0.00 C ATOM 0 H ALA A 14 -2.336 -6.856 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 14 0.248 -7.768 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.719 -8.998 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.341 -7.335 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.350 -8.701 -1.011 1.00 0.00 H new ATOM 233 N ALA A 15 -1.517 -9.980 -3.871 1.00 0.00 N ATOM 234 CA ALA A 15 -1.417 -11.217 -4.630 1.00 0.00 C ATOM 235 C ALA A 15 -0.282 -11.197 -5.661 1.00 0.00 C ATOM 236 O ALA A 15 0.288 -12.252 -5.933 1.00 0.00 O ATOM 237 CB ALA A 15 -2.742 -11.505 -5.338 1.00 0.00 C ATOM 0 H ALA A 15 -2.360 -9.443 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.189 -12.006 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.658 -12.433 -5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.536 -11.602 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.977 -10.686 -6.017 1.00 0.00 H new ATOM 243 N LYS A 16 -0.021 -10.058 -6.315 1.00 0.00 N ATOM 244 CA LYS A 16 0.775 -10.008 -7.541 1.00 0.00 C ATOM 245 C LYS A 16 2.151 -10.668 -7.404 1.00 0.00 C ATOM 246 O LYS A 16 2.423 -11.662 -8.085 1.00 0.00 O ATOM 247 CB LYS A 16 0.893 -8.563 -8.054 1.00 0.00 C ATOM 248 CG LYS A 16 0.554 -8.435 -9.547 1.00 0.00 C ATOM 249 CD LYS A 16 -0.917 -8.709 -9.909 1.00 0.00 C ATOM 250 CE LYS A 16 -1.900 -7.879 -9.070 1.00 0.00 C ATOM 251 NZ LYS A 16 -3.148 -7.598 -9.813 1.00 0.00 N ATOM 0 H LYS A 16 -0.358 -9.146 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 16 0.238 -10.600 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.226 -7.922 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.908 -8.203 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.812 -7.429 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.184 -9.125 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.073 -8.491 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.130 -9.769 -9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.136 -8.414 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.429 -6.940 -8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.788 -7.036 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.925 -7.066 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.610 -8.494 -10.068 1.00 0.00 H new ATOM 265 N GLU A 17 3.011 -10.126 -6.542 1.00 0.00 N ATOM 266 CA GLU A 17 4.299 -10.748 -6.276 1.00 0.00 C ATOM 267 C GLU A 17 4.104 -11.896 -5.289 1.00 0.00 C ATOM 268 O GLU A 17 3.328 -11.758 -4.339 1.00 0.00 O ATOM 269 CB GLU A 17 5.326 -9.772 -5.710 1.00 0.00 C ATOM 270 CG GLU A 17 5.820 -8.707 -6.695 1.00 0.00 C ATOM 271 CD GLU A 17 7.277 -8.349 -6.441 1.00 0.00 C ATOM 272 OE1 GLU A 17 7.741 -8.486 -5.281 1.00 0.00 O ATOM 273 OE2 GLU A 17 7.942 -7.964 -7.434 1.00 0.00 O ATOM 0 H GLU A 17 2.838 -9.266 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 17 4.687 -11.108 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.891 -9.271 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.185 -10.339 -5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.706 -9.072 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.203 -7.813 -6.606 1.00 0.00 H new ATOM 280 N GLY A 18 4.847 -12.979 -5.540 1.00 0.00 N ATOM 281 CA GLY A 18 4.715 -14.331 -5.006 1.00 0.00 C ATOM 282 C GLY A 18 3.695 -14.485 -3.888 1.00 0.00 C ATOM 283 O GLY A 18 2.594 -14.996 -4.106 1.00 0.00 O ATOM 0 H GLY A 18 5.633 -12.920 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.443 -15.002 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.688 -14.656 -4.637 1.00 0.00 H new ATOM 287 N ASP A 19 4.094 -14.063 -2.683 1.00 0.00 N ATOM 288 CA ASP A 19 3.300 -14.194 -1.466 1.00 0.00 C ATOM 289 C ASP A 19 1.879 -13.606 -1.645 1.00 0.00 C ATOM 290 O ASP A 19 1.750 -12.577 -2.315 1.00 0.00 O ATOM 291 CB ASP A 19 4.059 -13.519 -0.315 1.00 0.00 C ATOM 292 CG ASP A 19 3.231 -12.420 0.318 1.00 0.00 C ATOM 293 OD1 ASP A 19 3.113 -11.352 -0.327 1.00 0.00 O ATOM 294 OD2 ASP A 19 2.567 -12.710 1.338 1.00 0.00 O ATOM 0 H ASP A 19 4.996 -13.613 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 19 3.160 -15.250 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.318 -14.263 0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.995 -13.104 -0.688 1.00 0.00 H new ATOM 299 N PRO A 20 0.844 -14.174 -1.004 1.00 0.00 N ATOM 300 CA PRO A 20 -0.523 -13.697 -1.114 1.00 0.00 C ATOM 301 C PRO A 20 -0.846 -12.542 -0.151 1.00 0.00 C ATOM 302 O PRO A 20 -1.872 -11.890 -0.335 1.00 0.00 O ATOM 303 CB PRO A 20 -1.371 -14.923 -0.770 1.00 0.00 C ATOM 304 CG PRO A 20 -0.516 -15.644 0.273 1.00 0.00 C ATOM 305 CD PRO A 20 0.905 -15.408 -0.234 1.00 0.00 C ATOM 0 HA PRO A 20 -0.713 -13.291 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.345 -14.642 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.554 -15.547 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.663 -15.232 1.271 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.755 -16.706 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.607 -15.319 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.244 -16.240 -0.852 1.00 0.00 H new ATOM 313 N ASN A 21 -0.068 -12.339 0.917 1.00 0.00 N ATOM 314 CA ASN A 21 -0.487 -11.644 2.115 1.00 0.00 C ATOM 315 C ASN A 21 0.199 -10.295 2.271 1.00 0.00 C ATOM 316 O ASN A 21 -0.401 -9.349 2.780 1.00 0.00 O ATOM 317 CB ASN A 21 -0.127 -12.546 3.302 1.00 0.00 C ATOM 318 CG ASN A 21 -0.435 -11.890 4.628 1.00 0.00 C ATOM 319 OD1 ASN A 21 -1.592 -11.708 4.991 1.00 0.00 O ATOM 320 ND2 ASN A 21 0.582 -11.503 5.371 1.00 0.00 N ATOM 0 H ASN A 21 0.897 -12.667 0.962 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.557 -11.445 2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.678 -13.483 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.933 -12.795 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.414 -11.043 6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.537 -11.664 5.051 1.00 0.00 H new ATOM 327 N GLN A 22 1.452 -10.187 1.849 1.00 0.00 N ATOM 328 CA GLN A 22 2.219 -8.958 1.881 1.00 0.00 C ATOM 329 C GLN A 22 2.227 -8.241 0.531 1.00 0.00 C ATOM 330 O GLN A 22 2.046 -8.833 -0.534 1.00 0.00 O ATOM 331 CB GLN A 22 3.670 -9.198 2.290 1.00 0.00 C ATOM 332 CG GLN A 22 3.934 -9.694 3.715 1.00 0.00 C ATOM 333 CD GLN A 22 4.055 -11.203 3.727 1.00 0.00 C ATOM 334 OE1 GLN A 22 3.225 -11.920 4.292 1.00 0.00 O ATOM 335 NE2 GLN A 22 5.082 -11.699 3.056 1.00 0.00 N ATOM 0 H GLN A 22 1.973 -10.976 1.465 1.00 0.00 H new ATOM 0 HA GLN A 22 1.722 -8.333 2.623 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.098 -9.923 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.216 -8.265 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.849 -9.245 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.123 -9.381 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.746 -11.071 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.209 -12.709 2.992 1.00 0.00 H new ATOM 344 N LEU A 23 2.495 -6.938 0.591 1.00 0.00 N ATOM 345 CA LEU A 23 2.887 -6.072 -0.503 1.00 0.00 C ATOM 346 C LEU A 23 4.405 -5.893 -0.487 1.00 0.00 C ATOM 347 O LEU A 23 4.903 -5.109 0.314 1.00 0.00 O ATOM 348 CB LEU A 23 2.249 -4.694 -0.295 1.00 0.00 C ATOM 349 CG LEU A 23 0.833 -4.559 -0.862 1.00 0.00 C ATOM 350 CD1 LEU A 23 0.296 -3.169 -0.509 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.765 -4.704 -2.386 1.00 0.00 C ATOM 0 H LEU A 23 2.438 -6.429 1.473 1.00 0.00 H new ATOM 0 HA LEU A 23 2.566 -6.511 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.222 -4.478 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.885 -3.939 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 23 0.244 -5.365 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.713 -3.057 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.274 -3.052 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.944 -2.408 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.268 -4.597 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.377 -3.932 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.138 -5.686 -2.675 1.00 0.00 H new ATOM 363 N SER A 24 5.171 -6.550 -1.354 1.00 0.00 N ATOM 364 CA SER A 24 6.590 -6.226 -1.485 1.00 0.00 C ATOM 365 C SER A 24 6.759 -4.766 -1.901 1.00 0.00 C ATOM 366 O SER A 24 5.846 -4.153 -2.445 1.00 0.00 O ATOM 367 CB SER A 24 7.325 -7.167 -2.452 1.00 0.00 C ATOM 368 OG SER A 24 6.483 -8.163 -2.990 1.00 0.00 O ATOM 0 H SER A 24 4.842 -7.297 -1.966 1.00 0.00 H new ATOM 0 HA SER A 24 7.050 -6.372 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.754 -6.582 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.155 -7.642 -1.929 1.00 0.00 H new ATOM 0 HG SER A 24 6.824 -8.442 -3.865 1.00 0.00 H new ATOM 374 N LYS A 25 7.950 -4.214 -1.688 1.00 0.00 N ATOM 375 CA LYS A 25 8.363 -2.919 -2.214 1.00 0.00 C ATOM 376 C LYS A 25 7.936 -2.769 -3.685 1.00 0.00 C ATOM 377 O LYS A 25 7.085 -1.944 -4.024 1.00 0.00 O ATOM 378 CB LYS A 25 9.872 -2.833 -1.948 1.00 0.00 C ATOM 379 CG LYS A 25 10.618 -1.627 -2.526 1.00 0.00 C ATOM 380 CD LYS A 25 12.136 -1.814 -2.371 1.00 0.00 C ATOM 381 CE LYS A 25 12.551 -2.319 -0.977 1.00 0.00 C ATOM 382 NZ LYS A 25 14.010 -2.281 -0.778 1.00 0.00 N ATOM 0 H LYS A 25 8.673 -4.668 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 25 7.877 -2.073 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.025 -2.839 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.336 -3.737 -2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.365 -1.505 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.303 -0.717 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.486 -2.520 -3.124 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.634 -0.864 -2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.067 -1.710 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.195 -3.340 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.240 -2.630 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.473 -2.883 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.349 -1.303 -0.879 1.00 0.00 H new ATOM 396 N GLU A 26 8.458 -3.631 -4.559 1.00 0.00 N ATOM 397 CA GLU A 26 8.111 -3.656 -5.966 1.00 0.00 C ATOM 398 C GLU A 26 6.692 -4.207 -6.239 1.00 0.00 C ATOM 399 O GLU A 26 6.326 -4.368 -7.403 1.00 0.00 O ATOM 400 CB GLU A 26 9.197 -4.474 -6.661 1.00 0.00 C ATOM 401 CG GLU A 26 10.517 -3.703 -6.845 1.00 0.00 C ATOM 402 CD GLU A 26 10.570 -2.717 -8.013 1.00 0.00 C ATOM 403 OE1 GLU A 26 9.631 -2.644 -8.849 1.00 0.00 O ATOM 404 OE2 GLU A 26 11.605 -2.027 -8.121 1.00 0.00 O ATOM 0 H GLU A 26 9.144 -4.339 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 26 8.073 -2.640 -6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.389 -5.377 -6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.832 -4.794 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.724 -3.155 -5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.321 -4.428 -6.972 1.00 0.00 H new ATOM 411 N GLU A 27 5.880 -4.483 -5.211 1.00 0.00 N ATOM 412 CA GLU A 27 4.462 -4.805 -5.327 1.00 0.00 C ATOM 413 C GLU A 27 3.659 -3.523 -5.058 1.00 0.00 C ATOM 414 O GLU A 27 2.751 -3.175 -5.812 1.00 0.00 O ATOM 415 CB GLU A 27 4.137 -5.934 -4.334 1.00 0.00 C ATOM 416 CG GLU A 27 2.975 -6.853 -4.741 1.00 0.00 C ATOM 417 CD GLU A 27 2.892 -8.088 -3.850 1.00 0.00 C ATOM 418 OE1 GLU A 27 3.559 -8.193 -2.807 1.00 0.00 O ATOM 419 OE2 GLU A 27 2.231 -9.081 -4.216 1.00 0.00 O ATOM 0 H GLU A 27 6.208 -4.487 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 27 4.198 -5.160 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.030 -6.544 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.905 -5.489 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.037 -6.300 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.101 -7.161 -5.779 1.00 0.00 H new ATOM 426 N LEU A 28 4.030 -2.767 -4.014 1.00 0.00 N ATOM 427 CA LEU A 28 3.482 -1.446 -3.756 1.00 0.00 C ATOM 428 C LEU A 28 3.677 -0.547 -4.983 1.00 0.00 C ATOM 429 O LEU A 28 2.789 0.229 -5.323 1.00 0.00 O ATOM 430 CB LEU A 28 4.152 -0.876 -2.496 1.00 0.00 C ATOM 431 CG LEU A 28 3.538 0.437 -1.979 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.062 0.313 -1.588 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.311 0.932 -0.752 1.00 0.00 C ATOM 0 H LEU A 28 4.723 -3.065 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 28 2.408 -1.501 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.099 -1.623 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.208 -0.709 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 28 3.607 1.141 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.697 1.277 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.481 0.002 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.956 -0.429 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.869 1.862 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.263 0.180 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.352 1.107 -1.024 1.00 0.00 H new ATOM 445 N LYS A 29 4.810 -0.707 -5.677 1.00 0.00 N ATOM 446 CA LYS A 29 5.146 -0.043 -6.938 1.00 0.00 C ATOM 447 C LYS A 29 3.927 0.101 -7.856 1.00 0.00 C ATOM 448 O LYS A 29 3.461 1.211 -8.135 1.00 0.00 O ATOM 449 CB LYS A 29 6.238 -0.894 -7.613 1.00 0.00 C ATOM 450 CG LYS A 29 6.643 -0.521 -9.049 1.00 0.00 C ATOM 451 CD LYS A 29 7.379 0.817 -9.123 1.00 0.00 C ATOM 452 CE LYS A 29 8.803 0.766 -8.558 1.00 0.00 C ATOM 453 NZ LYS A 29 9.763 0.031 -9.402 1.00 0.00 N ATOM 0 H LYS A 29 5.550 -1.332 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 29 5.497 0.970 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.131 -0.851 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.902 -1.931 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.280 -1.305 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.751 -0.476 -9.674 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.421 1.142 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.807 1.567 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.164 1.785 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.774 0.302 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.714 0.100 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.481 -0.968 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.772 0.443 -10.357 1.00 0.00 H new ATOM 467 N LEU A 30 3.437 -1.041 -8.346 1.00 0.00 N ATOM 468 CA LEU A 30 2.348 -1.085 -9.302 1.00 0.00 C ATOM 469 C LEU A 30 1.096 -0.453 -8.698 1.00 0.00 C ATOM 470 O LEU A 30 0.394 0.301 -9.373 1.00 0.00 O ATOM 471 CB LEU A 30 2.064 -2.515 -9.805 1.00 0.00 C ATOM 472 CG LEU A 30 2.917 -3.689 -9.295 1.00 0.00 C ATOM 473 CD1 LEU A 30 2.210 -5.008 -9.623 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.299 -3.711 -9.961 1.00 0.00 C ATOM 0 H LEU A 30 3.792 -1.961 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 30 2.651 -0.507 -10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.024 -2.742 -9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.148 -2.500 -10.892 1.00 0.00 H new ATOM 0 HG LEU A 30 3.044 -3.566 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.812 -5.843 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.234 -5.028 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.080 -5.093 -10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.875 -4.553 -9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.181 -3.813 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.824 -2.782 -9.740 1.00 0.00 H new ATOM 486 N LEU A 31 0.829 -0.768 -7.429 1.00 0.00 N ATOM 487 CA LEU A 31 -0.306 -0.260 -6.669 1.00 0.00 C ATOM 488 C LEU A 31 -0.364 1.263 -6.739 1.00 0.00 C ATOM 489 O LEU A 31 -1.348 1.840 -7.200 1.00 0.00 O ATOM 490 CB LEU A 31 -0.184 -0.725 -5.209 1.00 0.00 C ATOM 491 CG LEU A 31 -1.530 -1.058 -4.556 1.00 0.00 C ATOM 492 CD1 LEU A 31 -1.336 -1.345 -3.068 1.00 0.00 C ATOM 493 CD2 LEU A 31 -2.572 0.038 -4.712 1.00 0.00 C ATOM 0 H LEU A 31 1.417 -1.403 -6.889 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.228 -0.650 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.457 -1.606 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.309 0.055 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.905 -1.938 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.299 -1.580 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.661 -2.192 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.910 -0.468 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.498 -0.268 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.206 0.956 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.760 0.213 -5.771 1.00 0.00 H new ATOM 505 N LEU A 32 0.707 1.908 -6.271 1.00 0.00 N ATOM 506 CA LEU A 32 0.796 3.358 -6.184 1.00 0.00 C ATOM 507 C LEU A 32 0.500 3.964 -7.545 1.00 0.00 C ATOM 508 O LEU A 32 -0.359 4.832 -7.688 1.00 0.00 O ATOM 509 CB LEU A 32 2.205 3.799 -5.755 1.00 0.00 C ATOM 510 CG LEU A 32 2.580 3.408 -4.323 1.00 0.00 C ATOM 511 CD1 LEU A 32 4.081 3.660 -4.123 1.00 0.00 C ATOM 512 CD2 LEU A 32 1.784 4.190 -3.273 1.00 0.00 C ATOM 0 H LEU A 32 1.544 1.428 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 32 0.073 3.698 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.933 3.365 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.280 4.882 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 32 2.338 2.354 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.364 3.386 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.649 3.058 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.298 4.715 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.089 3.874 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.976 5.256 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.719 3.997 -3.405 1.00 0.00 H new ATOM 524 N GLN A 33 1.251 3.502 -8.540 1.00 0.00 N ATOM 525 CA GLN A 33 1.253 4.065 -9.865 1.00 0.00 C ATOM 526 C GLN A 33 -0.108 3.885 -10.534 1.00 0.00 C ATOM 527 O GLN A 33 -0.649 4.820 -11.124 1.00 0.00 O ATOM 528 CB GLN A 33 2.383 3.362 -10.607 1.00 0.00 C ATOM 529 CG GLN A 33 3.719 3.992 -10.189 1.00 0.00 C ATOM 530 CD GLN A 33 4.947 3.193 -10.603 1.00 0.00 C ATOM 531 OE1 GLN A 33 6.005 3.373 -10.011 1.00 0.00 O ATOM 532 NE2 GLN A 33 4.834 2.315 -11.595 1.00 0.00 N ATOM 0 H GLN A 33 1.884 2.709 -8.435 1.00 0.00 H new ATOM 0 HA GLN A 33 1.421 5.142 -9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.380 2.297 -10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.243 3.456 -11.684 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.787 4.990 -10.621 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.727 4.112 -9.106 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.938 2.190 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.643 1.766 -11.885 1.00 0.00 H new ATOM 541 N THR A 34 -0.656 2.674 -10.451 1.00 0.00 N ATOM 542 CA THR A 34 -1.913 2.350 -11.092 1.00 0.00 C ATOM 543 C THR A 34 -3.082 3.036 -10.380 1.00 0.00 C ATOM 544 O THR A 34 -3.915 3.635 -11.054 1.00 0.00 O ATOM 545 CB THR A 34 -2.058 0.827 -11.200 1.00 0.00 C ATOM 546 OG1 THR A 34 -0.893 0.300 -11.815 1.00 0.00 O ATOM 547 CG2 THR A 34 -3.260 0.439 -12.056 1.00 0.00 C ATOM 0 H THR A 34 -0.237 1.898 -9.938 1.00 0.00 H new ATOM 0 HA THR A 34 -1.925 2.740 -12.110 1.00 0.00 H new ATOM 0 HB THR A 34 -2.197 0.428 -10.195 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.193 0.180 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.332 -0.647 -12.111 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.170 0.841 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.138 0.846 -13.060 1.00 0.00 H new ATOM 555 N GLU A 35 -3.165 2.963 -9.047 1.00 0.00 N ATOM 556 CA GLU A 35 -4.361 3.383 -8.320 1.00 0.00 C ATOM 557 C GLU A 35 -4.262 4.803 -7.739 1.00 0.00 C ATOM 558 O GLU A 35 -5.281 5.505 -7.714 1.00 0.00 O ATOM 559 CB GLU A 35 -4.703 2.356 -7.229 1.00 0.00 C ATOM 560 CG GLU A 35 -4.821 0.913 -7.738 1.00 0.00 C ATOM 561 CD GLU A 35 -5.913 0.711 -8.768 1.00 0.00 C ATOM 562 OE1 GLU A 35 -6.845 1.550 -8.824 1.00 0.00 O ATOM 563 OE2 GLU A 35 -5.803 -0.277 -9.523 1.00 0.00 O ATOM 0 H GLU A 35 -2.414 2.615 -8.451 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.173 3.422 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.936 2.395 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.644 2.642 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.867 0.612 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.009 0.254 -6.890 1.00 0.00 H new ATOM 570 N PHE A 36 -3.076 5.229 -7.278 1.00 0.00 N ATOM 571 CA PHE A 36 -2.866 6.463 -6.509 1.00 0.00 C ATOM 572 C PHE A 36 -2.001 7.522 -7.229 1.00 0.00 C ATOM 573 O PHE A 36 -1.269 8.241 -6.547 1.00 0.00 O ATOM 574 CB PHE A 36 -2.186 6.106 -5.167 1.00 0.00 C ATOM 575 CG PHE A 36 -2.980 5.236 -4.210 1.00 0.00 C ATOM 576 CD1 PHE A 36 -3.101 3.856 -4.437 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.556 5.795 -3.054 1.00 0.00 C ATOM 578 CE1 PHE A 36 -3.967 3.085 -3.642 1.00 0.00 C ATOM 579 CE2 PHE A 36 -4.360 5.011 -2.213 1.00 0.00 C ATOM 580 CZ PHE A 36 -4.576 3.656 -2.515 1.00 0.00 C ATOM 0 H PHE A 36 -2.213 4.709 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.852 6.907 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.246 5.600 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.936 7.035 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.528 3.386 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.378 6.833 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.163 2.054 -3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.812 5.448 -1.335 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.210 3.055 -1.880 1.00 0.00 H new ATOM 590 N PRO A 37 -2.054 7.703 -8.560 1.00 0.00 N ATOM 591 CA PRO A 37 -1.117 8.575 -9.252 1.00 0.00 C ATOM 592 C PRO A 37 -1.249 10.033 -8.811 1.00 0.00 C ATOM 593 O PRO A 37 -0.234 10.717 -8.654 1.00 0.00 O ATOM 594 CB PRO A 37 -1.413 8.401 -10.744 1.00 0.00 C ATOM 595 CG PRO A 37 -2.885 7.991 -10.763 1.00 0.00 C ATOM 596 CD PRO A 37 -3.022 7.158 -9.491 1.00 0.00 C ATOM 0 HA PRO A 37 -0.087 8.307 -9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.245 9.325 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.777 7.639 -11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.546 8.858 -10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.132 7.413 -11.653 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.033 7.222 -9.088 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.824 6.105 -9.689 1.00 0.00 H new ATOM 604 N SER A 38 -2.489 10.507 -8.619 1.00 0.00 N ATOM 605 CA SER A 38 -2.764 11.871 -8.198 1.00 0.00 C ATOM 606 C SER A 38 -2.586 12.039 -6.692 1.00 0.00 C ATOM 607 O SER A 38 -2.102 13.072 -6.243 1.00 0.00 O ATOM 608 CB SER A 38 -4.165 12.292 -8.653 1.00 0.00 C ATOM 609 OG SER A 38 -5.186 11.414 -8.208 1.00 0.00 O ATOM 0 H SER A 38 -3.328 9.944 -8.755 1.00 0.00 H new ATOM 0 HA SER A 38 -2.039 12.530 -8.675 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.373 13.296 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.187 12.341 -9.742 1.00 0.00 H new ATOM 0 HG SER A 38 -6.055 11.735 -8.527 1.00 0.00 H new ATOM 615 N LEU A 39 -2.963 11.033 -5.899 1.00 0.00 N ATOM 616 CA LEU A 39 -2.873 11.066 -4.458 1.00 0.00 C ATOM 617 C LEU A 39 -1.431 11.320 -4.005 1.00 0.00 C ATOM 618 O LEU A 39 -1.213 11.960 -2.975 1.00 0.00 O ATOM 619 CB LEU A 39 -3.475 9.755 -3.939 1.00 0.00 C ATOM 620 CG LEU A 39 -5.013 9.812 -3.883 1.00 0.00 C ATOM 621 CD1 LEU A 39 -5.608 8.417 -3.670 1.00 0.00 C ATOM 622 CD2 LEU A 39 -5.526 10.722 -2.756 1.00 0.00 C ATOM 0 H LEU A 39 -3.346 10.159 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.439 11.896 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.165 8.933 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.083 9.544 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.330 10.220 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.695 8.487 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.313 7.766 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.240 8.004 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.616 10.727 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.169 10.349 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.158 11.736 -2.911 1.00 0.00 H new ATOM 634 N LEU A 40 -0.440 10.896 -4.798 1.00 0.00 N ATOM 635 CA LEU A 40 0.945 11.337 -4.635 1.00 0.00 C ATOM 636 C LEU A 40 1.123 12.815 -5.021 1.00 0.00 C ATOM 637 O LEU A 40 1.904 13.157 -5.912 1.00 0.00 O ATOM 638 CB LEU A 40 1.889 10.450 -5.458 1.00 0.00 C ATOM 639 CG LEU A 40 1.838 8.960 -5.094 1.00 0.00 C ATOM 640 CD1 LEU A 40 2.882 8.239 -5.943 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.120 8.709 -3.609 1.00 0.00 C ATOM 0 H LEU A 40 -0.577 10.240 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 40 1.199 11.241 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.644 10.562 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.910 10.808 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 40 0.833 8.587 -5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.871 7.175 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.652 8.379 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.870 8.648 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.072 7.639 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.114 9.081 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.376 9.228 -3.005 1.00 0.00 H new ATOM 653 N LYS A 41 0.470 13.725 -4.296 1.00 0.00 N ATOM 654 CA LYS A 41 0.677 15.168 -4.404 1.00 0.00 C ATOM 655 C LYS A 41 1.959 15.552 -3.656 1.00 0.00 C ATOM 656 O LYS A 41 1.946 16.344 -2.711 1.00 0.00 O ATOM 657 CB LYS A 41 -0.576 15.900 -3.897 1.00 0.00 C ATOM 658 CG LYS A 41 -1.649 15.939 -4.992 1.00 0.00 C ATOM 659 CD LYS A 41 -2.972 15.400 -4.459 1.00 0.00 C ATOM 660 CE LYS A 41 -3.711 16.366 -3.531 1.00 0.00 C ATOM 661 NZ LYS A 41 -4.049 17.629 -4.206 1.00 0.00 N ATOM 0 H LYS A 41 -0.233 13.472 -3.602 1.00 0.00 H new ATOM 0 HA LYS A 41 0.817 15.471 -5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.967 15.396 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.316 16.915 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.781 16.962 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.326 15.346 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.619 15.156 -5.302 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.784 14.470 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.624 15.893 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.092 16.576 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.756 18.145 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.192 18.211 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.438 17.425 -5.149 1.00 0.00 H new ATOM 675 N GLY A 42 3.080 15.000 -4.119 1.00 0.00 N ATOM 676 CA GLY A 42 4.410 15.179 -3.567 1.00 0.00 C ATOM 677 C GLY A 42 5.360 14.279 -4.353 1.00 0.00 C ATOM 678 O GLY A 42 4.927 13.642 -5.319 1.00 0.00 O ATOM 0 H GLY A 42 3.078 14.385 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.719 16.221 -3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.424 14.919 -2.509 1.00 0.00 H new ATOM 682 N GLY A 43 6.637 14.239 -3.955 1.00 0.00 N ATOM 683 CA GLY A 43 7.624 13.341 -4.528 1.00 0.00 C ATOM 684 C GLY A 43 7.710 12.133 -3.617 1.00 0.00 C ATOM 685 O GLY A 43 6.762 11.350 -3.564 1.00 0.00 O ATOM 0 H GLY A 43 7.009 14.838 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.335 13.043 -5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.593 13.834 -4.607 1.00 0.00 H new ATOM 689 N SER A 44 8.785 12.056 -2.823 1.00 0.00 N ATOM 690 CA SER A 44 8.969 11.081 -1.762 1.00 0.00 C ATOM 691 C SER A 44 8.561 9.687 -2.237 1.00 0.00 C ATOM 692 O SER A 44 7.534 9.142 -1.832 1.00 0.00 O ATOM 693 CB SER A 44 8.248 11.599 -0.516 1.00 0.00 C ATOM 694 OG SER A 44 8.734 12.900 -0.230 1.00 0.00 O ATOM 0 H SER A 44 9.573 12.697 -2.912 1.00 0.00 H new ATOM 0 HA SER A 44 10.017 10.963 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.171 11.624 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.424 10.933 0.329 1.00 0.00 H new ATOM 0 HG SER A 44 8.282 13.250 0.566 1.00 0.00 H new ATOM 700 N THR A 45 9.366 9.169 -3.164 1.00 0.00 N ATOM 701 CA THR A 45 9.099 8.010 -3.992 1.00 0.00 C ATOM 702 C THR A 45 9.011 6.713 -3.179 1.00 0.00 C ATOM 703 O THR A 45 9.085 6.711 -1.949 1.00 0.00 O ATOM 704 CB THR A 45 10.164 7.953 -5.113 1.00 0.00 C ATOM 705 OG1 THR A 45 11.118 8.996 -4.977 1.00 0.00 O ATOM 706 CG2 THR A 45 9.514 8.103 -6.491 1.00 0.00 C ATOM 0 H THR A 45 10.278 9.579 -3.364 1.00 0.00 H new ATOM 0 HA THR A 45 8.114 8.110 -4.448 1.00 0.00 H new ATOM 0 HB THR A 45 10.656 6.984 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.749 8.771 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.283 8.060 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.799 7.295 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.997 9.061 -6.547 1.00 0.00 H new ATOM 714 N LEU A 46 8.826 5.599 -3.897 1.00 0.00 N ATOM 715 CA LEU A 46 8.480 4.301 -3.348 1.00 0.00 C ATOM 716 C LEU A 46 9.288 3.982 -2.101 1.00 0.00 C ATOM 717 O LEU A 46 8.701 3.751 -1.056 1.00 0.00 O ATOM 718 CB LEU A 46 8.688 3.227 -4.418 1.00 0.00 C ATOM 719 CG LEU A 46 8.560 1.794 -3.875 1.00 0.00 C ATOM 720 CD1 LEU A 46 7.200 1.518 -3.225 1.00 0.00 C ATOM 721 CD2 LEU A 46 8.748 0.844 -5.051 1.00 0.00 C ATOM 0 H LEU A 46 8.919 5.586 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 46 7.432 4.321 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.959 3.372 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.675 3.353 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 46 9.313 1.652 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.172 0.491 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.050 2.202 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.409 1.664 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.664 -0.186 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.982 1.038 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.733 0.999 -5.490 1.00 0.00 H new ATOM 733 N ASP A 47 10.618 3.962 -2.218 1.00 0.00 N ATOM 734 CA ASP A 47 11.521 3.544 -1.170 1.00 0.00 C ATOM 735 C ASP A 47 11.224 4.389 0.063 1.00 0.00 C ATOM 736 O ASP A 47 10.820 3.842 1.076 1.00 0.00 O ATOM 737 CB ASP A 47 12.998 3.704 -1.571 1.00 0.00 C ATOM 738 CG ASP A 47 13.442 3.035 -2.865 1.00 0.00 C ATOM 739 OD1 ASP A 47 13.544 1.790 -2.919 1.00 0.00 O ATOM 740 OD2 ASP A 47 13.830 3.803 -3.783 1.00 0.00 O ATOM 0 H ASP A 47 11.099 4.246 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 47 11.364 2.484 -0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.214 4.770 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.613 3.314 -0.760 1.00 0.00 H new ATOM 745 N GLU A 48 11.363 5.712 -0.071 1.00 0.00 N ATOM 746 CA GLU A 48 11.155 6.725 0.960 1.00 0.00 C ATOM 747 C GLU A 48 9.803 6.582 1.665 1.00 0.00 C ATOM 748 O GLU A 48 9.678 6.888 2.855 1.00 0.00 O ATOM 749 CB GLU A 48 11.252 8.111 0.302 1.00 0.00 C ATOM 750 CG GLU A 48 12.656 8.411 -0.248 1.00 0.00 C ATOM 751 CD GLU A 48 12.736 9.795 -0.869 1.00 0.00 C ATOM 752 OE1 GLU A 48 12.595 10.779 -0.084 1.00 0.00 O ATOM 753 OE2 GLU A 48 12.909 9.887 -2.096 1.00 0.00 O ATOM 0 H GLU A 48 11.642 6.127 -0.960 1.00 0.00 H new ATOM 0 HA GLU A 48 11.922 6.595 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.527 8.175 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.981 8.874 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.386 8.331 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.922 7.662 -0.994 1.00 0.00 H new ATOM 760 N LEU A 49 8.777 6.187 0.910 1.00 0.00 N ATOM 761 CA LEU A 49 7.423 6.043 1.420 1.00 0.00 C ATOM 762 C LEU A 49 7.224 4.714 2.151 1.00 0.00 C ATOM 763 O LEU A 49 6.823 4.669 3.321 1.00 0.00 O ATOM 764 CB LEU A 49 6.475 6.235 0.224 1.00 0.00 C ATOM 765 CG LEU A 49 5.016 5.870 0.505 1.00 0.00 C ATOM 766 CD1 LEU A 49 4.370 6.896 1.440 1.00 0.00 C ATOM 767 CD2 LEU A 49 4.236 5.827 -0.813 1.00 0.00 C ATOM 0 H LEU A 49 8.868 5.958 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 49 7.207 6.795 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.521 7.276 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.834 5.630 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 49 4.991 4.892 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.333 6.617 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.914 6.921 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.402 7.882 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.197 5.567 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.279 6.804 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.676 5.079 -1.472 1.00 0.00 H new ATOM 779 N PHE A 50 7.479 3.632 1.420 1.00 0.00 N ATOM 780 CA PHE A 50 7.481 2.258 1.854 1.00 0.00 C ATOM 781 C PHE A 50 8.289 2.120 3.136 1.00 0.00 C ATOM 782 O PHE A 50 7.879 1.394 4.030 1.00 0.00 O ATOM 783 CB PHE A 50 8.100 1.430 0.720 1.00 0.00 C ATOM 784 CG PHE A 50 8.513 0.033 1.095 1.00 0.00 C ATOM 785 CD1 PHE A 50 9.776 -0.145 1.689 1.00 0.00 C ATOM 786 CD2 PHE A 50 7.682 -1.074 0.826 1.00 0.00 C ATOM 787 CE1 PHE A 50 10.240 -1.452 1.958 1.00 0.00 C ATOM 788 CE2 PHE A 50 8.139 -2.371 1.116 1.00 0.00 C ATOM 789 CZ PHE A 50 9.433 -2.563 1.636 1.00 0.00 C ATOM 0 H PHE A 50 7.707 3.712 0.429 1.00 0.00 H new ATOM 0 HA PHE A 50 6.471 1.908 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.382 1.372 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.974 1.960 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.386 0.711 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.701 -0.926 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.210 -1.600 2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.497 -3.221 0.940 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.809 -3.564 1.789 1.00 0.00 H new ATOM 799 N GLU A 51 9.460 2.751 3.225 1.00 0.00 N ATOM 800 CA GLU A 51 10.356 2.446 4.348 1.00 0.00 C ATOM 801 C GLU A 51 9.810 2.896 5.699 1.00 0.00 C ATOM 802 O GLU A 51 10.031 2.222 6.715 1.00 0.00 O ATOM 803 CB GLU A 51 11.780 2.964 4.108 1.00 0.00 C ATOM 804 CG GLU A 51 11.838 4.458 3.731 1.00 0.00 C ATOM 805 CD GLU A 51 12.174 5.438 4.860 1.00 0.00 C ATOM 806 OE1 GLU A 51 12.196 5.069 6.053 1.00 0.00 O ATOM 807 OE2 GLU A 51 12.562 6.580 4.528 1.00 0.00 O ATOM 0 H GLU A 51 9.804 3.449 2.565 1.00 0.00 H new ATOM 0 HA GLU A 51 10.408 1.358 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.373 2.802 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.241 2.379 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.579 4.581 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.873 4.741 3.310 1.00 0.00 H new ATOM 814 N GLU A 52 9.053 3.997 5.724 1.00 0.00 N ATOM 815 CA GLU A 52 8.287 4.313 6.911 1.00 0.00 C ATOM 816 C GLU A 52 7.268 3.194 7.129 1.00 0.00 C ATOM 817 O GLU A 52 7.123 2.674 8.234 1.00 0.00 O ATOM 818 CB GLU A 52 7.635 5.684 6.730 1.00 0.00 C ATOM 819 CG GLU A 52 6.525 5.901 7.772 1.00 0.00 C ATOM 820 CD GLU A 52 6.279 7.368 8.044 1.00 0.00 C ATOM 821 OE1 GLU A 52 7.171 8.003 8.653 1.00 0.00 O ATOM 822 OE2 GLU A 52 5.180 7.876 7.721 1.00 0.00 O ATOM 0 H GLU A 52 8.961 4.661 4.955 1.00 0.00 H new ATOM 0 HA GLU A 52 8.916 4.373 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.388 6.466 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.219 5.764 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.603 5.438 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.798 5.401 8.701 1.00 0.00 H new ATOM 829 N LEU A 53 6.552 2.841 6.063 1.00 0.00 N ATOM 830 CA LEU A 53 5.485 1.858 6.074 1.00 0.00 C ATOM 831 C LEU A 53 5.902 0.474 6.604 1.00 0.00 C ATOM 832 O LEU A 53 5.253 -0.004 7.536 1.00 0.00 O ATOM 833 CB LEU A 53 4.835 1.794 4.684 1.00 0.00 C ATOM 834 CG LEU A 53 3.638 2.744 4.567 1.00 0.00 C ATOM 835 CD1 LEU A 53 3.404 3.103 3.099 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.394 2.070 5.148 1.00 0.00 C ATOM 0 H LEU A 53 6.708 3.248 5.141 1.00 0.00 H new ATOM 0 HA LEU A 53 4.742 2.193 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.575 2.048 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.509 0.774 4.482 1.00 0.00 H new ATOM 0 HG LEU A 53 3.843 3.658 5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.552 3.778 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.292 3.591 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.201 2.196 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.542 2.745 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.186 1.153 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.566 1.831 6.197 1.00 0.00 H new ATOM 848 N ASP A 54 6.934 -0.174 6.039 1.00 0.00 N ATOM 849 CA ASP A 54 7.310 -1.543 6.388 1.00 0.00 C ATOM 850 C ASP A 54 8.014 -1.495 7.745 1.00 0.00 C ATOM 851 O ASP A 54 9.231 -1.302 7.782 1.00 0.00 O ATOM 852 CB ASP A 54 8.222 -2.144 5.292 1.00 0.00 C ATOM 853 CG ASP A 54 8.591 -3.599 5.601 1.00 0.00 C ATOM 854 OD1 ASP A 54 7.799 -4.267 6.303 1.00 0.00 O ATOM 855 OD2 ASP A 54 9.661 -4.067 5.151 1.00 0.00 O ATOM 0 H ASP A 54 7.530 0.244 5.325 1.00 0.00 H new ATOM 0 HA ASP A 54 6.432 -2.185 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.716 -2.093 4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.131 -1.548 5.206 1.00 0.00 H new ATOM 860 N LYS A 55 7.252 -1.586 8.849 1.00 0.00 N ATOM 861 CA LYS A 55 7.596 -0.965 10.131 1.00 0.00 C ATOM 862 C LYS A 55 9.071 -1.110 10.464 1.00 0.00 C ATOM 863 O LYS A 55 9.794 -0.112 10.545 1.00 0.00 O ATOM 864 CB LYS A 55 6.730 -1.531 11.273 1.00 0.00 C ATOM 865 CG LYS A 55 5.388 -0.796 11.327 1.00 0.00 C ATOM 866 CD LYS A 55 4.636 -0.893 12.662 1.00 0.00 C ATOM 867 CE LYS A 55 5.407 -0.369 13.887 1.00 0.00 C ATOM 868 NZ LYS A 55 6.087 0.924 13.649 1.00 0.00 N ATOM 0 H LYS A 55 6.371 -2.100 8.872 1.00 0.00 H new ATOM 0 HA LYS A 55 7.387 0.100 10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.564 -2.597 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.252 -1.423 12.224 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.560 0.257 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.746 -1.189 10.539 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.702 -0.338 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.372 -1.936 12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.715 -0.258 14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.148 -1.111 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.515 1.260 14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.830 0.799 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.395 1.623 13.312 1.00 0.00 H new ATOM 882 N ASN A 56 9.477 -2.363 10.626 1.00 0.00 N ATOM 883 CA ASN A 56 10.853 -2.799 10.479 1.00 0.00 C ATOM 884 C ASN A 56 10.783 -4.249 10.049 1.00 0.00 C ATOM 885 O ASN A 56 11.124 -5.155 10.809 1.00 0.00 O ATOM 886 CB ASN A 56 11.688 -2.619 11.751 1.00 0.00 C ATOM 887 CG ASN A 56 13.132 -3.039 11.489 1.00 0.00 C ATOM 888 OD1 ASN A 56 13.579 -4.124 11.871 1.00 0.00 O ATOM 889 ND2 ASN A 56 13.875 -2.191 10.786 1.00 0.00 N ATOM 0 H ASN A 56 8.839 -3.121 10.869 1.00 0.00 H new ATOM 0 HA ASN A 56 11.366 -2.183 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.656 -1.578 12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.268 -3.216 12.560 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.838 -2.431 10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.482 -1.300 10.482 1.00 0.00 H new ATOM 896 N GLY A 57 10.276 -4.457 8.838 1.00 0.00 N ATOM 897 CA GLY A 57 10.428 -5.728 8.172 1.00 0.00 C ATOM 898 C GLY A 57 11.809 -5.701 7.537 1.00 0.00 C ATOM 899 O GLY A 57 12.768 -6.188 8.147 1.00 0.00 O ATOM 0 H GLY A 57 9.759 -3.758 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.339 -6.553 8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.654 -5.869 7.418 1.00 0.00 H new ATOM 903 N ASP A 58 11.863 -5.079 6.354 1.00 0.00 N ATOM 904 CA ASP A 58 12.962 -4.878 5.407 1.00 0.00 C ATOM 905 C ASP A 58 12.597 -5.484 4.047 1.00 0.00 C ATOM 906 O ASP A 58 13.475 -5.704 3.208 1.00 0.00 O ATOM 907 CB ASP A 58 14.337 -5.384 5.887 1.00 0.00 C ATOM 908 CG ASP A 58 14.600 -6.867 5.615 1.00 0.00 C ATOM 909 OD1 ASP A 58 13.639 -7.681 5.698 1.00 0.00 O ATOM 910 OD2 ASP A 58 15.781 -7.199 5.325 1.00 0.00 O ATOM 0 H ASP A 58 11.015 -4.644 5.990 1.00 0.00 H new ATOM 0 HA ASP A 58 13.083 -3.798 5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.116 -4.795 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.422 -5.204 6.959 1.00 0.00 H new ATOM 915 N GLY A 59 11.317 -5.788 3.827 1.00 0.00 N ATOM 916 CA GLY A 59 10.901 -6.748 2.826 1.00 0.00 C ATOM 917 C GLY A 59 9.573 -6.330 2.234 1.00 0.00 C ATOM 918 O GLY A 59 9.545 -5.867 1.091 1.00 0.00 O ATOM 0 H GLY A 59 10.544 -5.369 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.654 -6.817 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.815 -7.738 3.273 1.00 0.00 H new ATOM 922 N GLU A 60 8.472 -6.521 2.974 1.00 0.00 N ATOM 923 CA GLU A 60 7.155 -6.327 2.412 1.00 0.00 C ATOM 924 C GLU A 60 6.191 -5.711 3.445 1.00 0.00 C ATOM 925 O GLU A 60 6.212 -6.064 4.627 1.00 0.00 O ATOM 926 CB GLU A 60 6.630 -7.683 1.902 1.00 0.00 C ATOM 927 CG GLU A 60 7.482 -8.514 0.913 1.00 0.00 C ATOM 928 CD GLU A 60 7.735 -9.982 1.263 1.00 0.00 C ATOM 929 OE1 GLU A 60 7.365 -10.449 2.370 1.00 0.00 O ATOM 930 OE2 GLU A 60 8.319 -10.656 0.374 1.00 0.00 O ATOM 0 H GLU A 60 8.480 -6.807 3.953 1.00 0.00 H new ATOM 0 HA GLU A 60 7.217 -5.625 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.443 -8.308 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.666 -7.501 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.996 -8.479 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.449 -8.022 0.805 1.00 0.00 H new ATOM 937 N VAL A 61 5.329 -4.808 2.977 1.00 0.00 N ATOM 938 CA VAL A 61 4.224 -4.200 3.706 1.00 0.00 C ATOM 939 C VAL A 61 3.125 -5.258 3.832 1.00 0.00 C ATOM 940 O VAL A 61 3.190 -6.301 3.200 1.00 0.00 O ATOM 941 CB VAL A 61 3.765 -2.933 2.941 1.00 0.00 C ATOM 942 CG1 VAL A 61 2.547 -2.234 3.559 1.00 0.00 C ATOM 943 CG2 VAL A 61 4.909 -1.913 2.928 1.00 0.00 C ATOM 0 H VAL A 61 5.391 -4.463 2.019 1.00 0.00 H new ATOM 0 HA VAL A 61 4.505 -3.880 4.709 1.00 0.00 H new ATOM 0 HB VAL A 61 3.486 -3.274 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.290 -1.357 2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.702 -2.922 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.783 -1.925 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.593 -1.019 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.172 -1.648 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.777 -2.346 2.432 1.00 0.00 H new ATOM 953 N SER A 62 2.078 -5.016 4.603 1.00 0.00 N ATOM 954 CA SER A 62 0.920 -5.880 4.730 1.00 0.00 C ATOM 955 C SER A 62 -0.206 -4.982 5.227 1.00 0.00 C ATOM 956 O SER A 62 0.107 -3.934 5.797 1.00 0.00 O ATOM 957 CB SER A 62 1.226 -7.050 5.673 1.00 0.00 C ATOM 958 OG SER A 62 1.996 -6.601 6.769 1.00 0.00 O ATOM 0 H SER A 62 2.011 -4.178 5.180 1.00 0.00 H new ATOM 0 HA SER A 62 0.634 -6.346 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.296 -7.493 6.029 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.765 -7.830 5.135 1.00 0.00 H new ATOM 0 HG SER A 62 2.185 -7.354 7.367 1.00 0.00 H new ATOM 964 N PHE A 63 -1.474 -5.368 5.028 1.00 0.00 N ATOM 965 CA PHE A 63 -2.626 -4.533 5.368 1.00 0.00 C ATOM 966 C PHE A 63 -2.439 -3.860 6.729 1.00 0.00 C ATOM 967 O PHE A 63 -2.627 -2.651 6.860 1.00 0.00 O ATOM 968 CB PHE A 63 -3.924 -5.332 5.294 1.00 0.00 C ATOM 969 CG PHE A 63 -5.167 -4.543 5.657 1.00 0.00 C ATOM 970 CD1 PHE A 63 -5.812 -3.783 4.665 1.00 0.00 C ATOM 971 CD2 PHE A 63 -5.602 -4.455 6.993 1.00 0.00 C ATOM 972 CE1 PHE A 63 -6.961 -3.035 4.985 1.00 0.00 C ATOM 973 CE2 PHE A 63 -6.708 -3.652 7.323 1.00 0.00 C ATOM 974 CZ PHE A 63 -7.438 -3.011 6.305 1.00 0.00 C ATOM 0 H PHE A 63 -1.726 -6.271 4.626 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.698 -3.737 4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.039 -5.723 4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.846 -6.191 5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.425 -3.773 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.085 -5.005 7.766 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.475 -2.480 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.997 -3.527 8.356 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.362 -2.502 6.538 1.00 0.00 H new ATOM 984 N GLU A 64 -2.001 -4.654 7.710 1.00 0.00 N ATOM 985 CA GLU A 64 -1.713 -4.216 9.064 1.00 0.00 C ATOM 986 C GLU A 64 -0.928 -2.905 9.128 1.00 0.00 C ATOM 987 O GLU A 64 -1.286 -2.009 9.898 1.00 0.00 O ATOM 988 CB GLU A 64 -0.918 -5.302 9.806 1.00 0.00 C ATOM 989 CG GLU A 64 -1.016 -5.066 11.324 1.00 0.00 C ATOM 990 CD GLU A 64 -2.441 -5.174 11.852 1.00 0.00 C ATOM 991 OE1 GLU A 64 -3.191 -6.017 11.295 1.00 0.00 O ATOM 992 OE2 GLU A 64 -2.782 -4.461 12.829 1.00 0.00 O ATOM 0 H GLU A 64 -1.834 -5.651 7.571 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.679 -4.041 9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.308 -6.288 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.125 -5.282 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.387 -5.791 11.840 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.621 -4.077 11.559 1.00 0.00 H new ATOM 999 N GLU A 65 0.182 -2.834 8.388 1.00 0.00 N ATOM 1000 CA GLU A 65 1.050 -1.669 8.380 1.00 0.00 C ATOM 1001 C GLU A 65 0.494 -0.660 7.376 1.00 0.00 C ATOM 1002 O GLU A 65 0.541 0.544 7.613 1.00 0.00 O ATOM 1003 CB GLU A 65 2.532 -2.014 8.098 1.00 0.00 C ATOM 1004 CG GLU A 65 2.872 -3.495 7.845 1.00 0.00 C ATOM 1005 CD GLU A 65 4.363 -3.806 8.002 1.00 0.00 C ATOM 1006 OE1 GLU A 65 4.964 -3.308 8.980 1.00 0.00 O ATOM 1007 OE2 GLU A 65 4.911 -4.615 7.211 1.00 0.00 O ATOM 0 H GLU A 65 0.499 -3.588 7.779 1.00 0.00 H new ATOM 0 HA GLU A 65 1.054 -1.232 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.853 -1.440 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.126 -1.670 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.303 -4.115 8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.554 -3.767 6.838 1.00 0.00 H new ATOM 1014 N PHE A 66 -0.068 -1.153 6.268 1.00 0.00 N ATOM 1015 CA PHE A 66 -0.702 -0.329 5.242 1.00 0.00 C ATOM 1016 C PHE A 66 -1.750 0.627 5.820 1.00 0.00 C ATOM 1017 O PHE A 66 -1.947 1.713 5.277 1.00 0.00 O ATOM 1018 CB PHE A 66 -1.308 -1.238 4.169 1.00 0.00 C ATOM 1019 CG PHE A 66 -1.836 -0.533 2.941 1.00 0.00 C ATOM 1020 CD1 PHE A 66 -1.000 -0.309 1.828 1.00 0.00 C ATOM 1021 CD2 PHE A 66 -3.183 -0.137 2.891 1.00 0.00 C ATOM 1022 CE1 PHE A 66 -1.514 0.324 0.686 1.00 0.00 C ATOM 1023 CE2 PHE A 66 -3.663 0.590 1.790 1.00 0.00 C ATOM 1024 CZ PHE A 66 -2.837 0.805 0.676 1.00 0.00 C ATOM 0 H PHE A 66 -0.094 -2.151 6.058 1.00 0.00 H new ATOM 0 HA PHE A 66 0.064 0.304 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.550 -1.957 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.122 -1.808 4.618 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.033 -0.624 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.850 -0.392 3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.892 0.443 -0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.669 0.984 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.214 1.337 -0.185 1.00 0.00 H new ATOM 1034 N GLN A 67 -2.399 0.288 6.938 1.00 0.00 N ATOM 1035 CA GLN A 67 -3.308 1.232 7.581 1.00 0.00 C ATOM 1036 C GLN A 67 -2.647 2.564 7.945 1.00 0.00 C ATOM 1037 O GLN A 67 -3.322 3.592 7.981 1.00 0.00 O ATOM 1038 CB GLN A 67 -4.111 0.618 8.734 1.00 0.00 C ATOM 1039 CG GLN A 67 -4.789 -0.701 8.366 1.00 0.00 C ATOM 1040 CD GLN A 67 -5.495 -0.617 7.023 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -6.592 -0.078 6.920 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -4.857 -1.136 5.983 1.00 0.00 N ATOM 0 H GLN A 67 -2.313 -0.614 7.406 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.046 1.478 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.446 0.452 9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.870 1.330 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.044 -1.496 8.336 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.509 -0.968 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.946 -1.576 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.278 -1.095 5.055 1.00 0.00 H new ATOM 1051 N VAL A 68 -1.325 2.585 8.141 1.00 0.00 N ATOM 1052 CA VAL A 68 -0.596 3.841 8.261 1.00 0.00 C ATOM 1053 C VAL A 68 -0.803 4.703 7.007 1.00 0.00 C ATOM 1054 O VAL A 68 -0.971 5.914 7.118 1.00 0.00 O ATOM 1055 CB VAL A 68 0.890 3.591 8.580 1.00 0.00 C ATOM 1056 CG1 VAL A 68 1.684 4.903 8.668 1.00 0.00 C ATOM 1057 CG2 VAL A 68 1.035 2.852 9.920 1.00 0.00 C ATOM 0 H VAL A 68 -0.745 1.749 8.219 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.997 4.405 9.103 1.00 0.00 H new ATOM 0 HB VAL A 68 1.289 2.987 7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.727 4.682 8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.623 5.430 7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.266 5.529 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.091 2.683 10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.598 3.454 10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.519 1.894 9.865 1.00 0.00 H new ATOM 1067 N LEU A 69 -0.831 4.120 5.807 1.00 0.00 N ATOM 1068 CA LEU A 69 -1.178 4.905 4.630 1.00 0.00 C ATOM 1069 C LEU A 69 -2.674 5.250 4.645 1.00 0.00 C ATOM 1070 O LEU A 69 -3.028 6.389 4.358 1.00 0.00 O ATOM 1071 CB LEU A 69 -0.801 4.165 3.345 1.00 0.00 C ATOM 1072 CG LEU A 69 -0.972 5.092 2.128 1.00 0.00 C ATOM 1073 CD1 LEU A 69 0.377 5.367 1.466 1.00 0.00 C ATOM 1074 CD2 LEU A 69 -1.972 4.490 1.139 1.00 0.00 C ATOM 0 H LEU A 69 -0.624 3.137 5.630 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.608 5.834 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.231 3.819 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.428 3.281 3.229 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.371 6.048 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.234 6.024 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.043 5.846 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.818 4.427 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.083 5.156 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.609 3.520 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.938 4.364 1.629 1.00 0.00 H new ATOM 1086 N VAL A 70 -3.563 4.312 4.994 1.00 0.00 N ATOM 1087 CA VAL A 70 -5.001 4.614 5.124 1.00 0.00 C ATOM 1088 C VAL A 70 -5.260 5.818 6.060 1.00 0.00 C ATOM 1089 O VAL A 70 -6.205 6.591 5.864 1.00 0.00 O ATOM 1090 CB VAL A 70 -5.798 3.360 5.530 1.00 0.00 C ATOM 1091 CG1 VAL A 70 -7.303 3.644 5.601 1.00 0.00 C ATOM 1092 CG2 VAL A 70 -5.570 2.226 4.516 1.00 0.00 C ATOM 0 H VAL A 70 -3.318 3.342 5.191 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.366 4.916 4.142 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.442 3.065 6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.831 2.736 5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.492 4.424 6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.657 3.974 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.140 1.348 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.898 2.550 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.510 1.976 4.482 1.00 0.00 H new ATOM 1102 N LYS A 71 -4.401 5.994 7.066 1.00 0.00 N ATOM 1103 CA LYS A 71 -4.325 7.175 7.917 1.00 0.00 C ATOM 1104 C LYS A 71 -3.807 8.402 7.142 1.00 0.00 C ATOM 1105 O LYS A 71 -4.295 9.513 7.369 1.00 0.00 O ATOM 1106 CB LYS A 71 -3.455 6.813 9.134 1.00 0.00 C ATOM 1107 CG LYS A 71 -2.914 7.969 9.989 1.00 0.00 C ATOM 1108 CD LYS A 71 -1.800 7.407 10.889 1.00 0.00 C ATOM 1109 CE LYS A 71 -1.154 8.498 11.753 1.00 0.00 C ATOM 1110 NZ LYS A 71 -0.024 7.971 12.547 1.00 0.00 N ATOM 0 H LYS A 71 -3.712 5.285 7.317 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.317 7.466 8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.039 6.160 9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.605 6.231 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.526 8.765 9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.711 8.403 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.212 6.631 11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.037 6.936 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.803 9.308 11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.902 8.922 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.387 8.737 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.364 7.215 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.701 7.589 11.907 1.00 0.00 H new ATOM 1124 N LYS A 72 -2.806 8.257 6.260 1.00 0.00 N ATOM 1125 CA LYS A 72 -2.194 9.365 5.580 1.00 0.00 C ATOM 1126 C LYS A 72 -2.916 9.796 4.293 1.00 0.00 C ATOM 1127 O LYS A 72 -2.708 10.916 3.828 1.00 0.00 O ATOM 1128 CB LYS A 72 -0.724 9.079 5.332 1.00 0.00 C ATOM 1129 CG LYS A 72 0.089 9.010 6.634 1.00 0.00 C ATOM 1130 CD LYS A 72 1.565 9.349 6.413 1.00 0.00 C ATOM 1131 CE LYS A 72 2.325 8.317 5.563 1.00 0.00 C ATOM 1132 NZ LYS A 72 3.786 8.566 5.534 1.00 0.00 N ATOM 0 H LYS A 72 -2.409 7.352 6.010 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.286 10.223 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.626 8.135 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.309 9.855 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.336 9.701 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.007 8.009 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.635 10.324 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.056 9.438 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.138 7.318 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.937 8.334 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.240 7.895 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.966 9.538 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.179 8.439 6.489 1.00 0.00 H new ATOM 1146 N ILE A 73 -3.775 8.970 3.689 1.00 0.00 N ATOM 1147 CA ILE A 73 -4.434 9.404 2.458 1.00 0.00 C ATOM 1148 C ILE A 73 -5.269 10.653 2.743 1.00 0.00 C ATOM 1149 O ILE A 73 -5.241 11.607 1.963 1.00 0.00 O ATOM 1150 CB ILE A 73 -5.274 8.296 1.807 1.00 0.00 C ATOM 1151 CG1 ILE A 73 -6.230 7.626 2.801 1.00 0.00 C ATOM 1152 CG2 ILE A 73 -4.349 7.257 1.161 1.00 0.00 C ATOM 1153 CD1 ILE A 73 -7.413 6.974 2.092 1.00 0.00 C ATOM 0 H ILE A 73 -4.022 8.036 4.016 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.660 9.647 1.730 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.895 8.759 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.690 6.873 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.595 8.368 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.949 6.472 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.736 7.739 0.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.704 6.820 1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.068 6.510 2.829 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.968 7.732 1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.049 6.214 1.400 1.00 0.00 H new ATOM 1165 N SER A 74 -5.908 10.704 3.913 1.00 0.00 N ATOM 1166 CA SER A 74 -6.692 11.833 4.399 1.00 0.00 C ATOM 1167 C SER A 74 -5.802 12.926 5.010 1.00 0.00 C ATOM 1168 O SER A 74 -6.252 13.642 5.904 1.00 0.00 O ATOM 1169 CB SER A 74 -7.683 11.300 5.444 1.00 0.00 C ATOM 1170 OG SER A 74 -8.259 10.090 4.988 1.00 0.00 O ATOM 0 H SER A 74 -5.891 9.926 4.572 1.00 0.00 H new ATOM 0 HA SER A 74 -7.221 12.293 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.171 11.135 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.464 12.038 5.627 1.00 0.00 H new ATOM 0 HG SER A 74 -8.889 9.754 5.659 1.00 0.00 H new ATOM 1176 N GLN A 75 -4.536 13.012 4.584 1.00 0.00 N ATOM 1177 CA GLN A 75 -3.481 13.728 5.293 1.00 0.00 C ATOM 1178 C GLN A 75 -2.629 14.522 4.305 1.00 0.00 C ATOM 1179 O GLN A 75 -3.002 15.640 3.930 1.00 0.00 O ATOM 1180 CB GLN A 75 -2.660 12.678 6.058 1.00 0.00 C ATOM 1181 CG GLN A 75 -2.254 13.056 7.479 1.00 0.00 C ATOM 1182 CD GLN A 75 -3.485 13.212 8.373 1.00 0.00 C ATOM 1183 OE1 GLN A 75 -3.723 14.289 8.918 1.00 0.00 O ATOM 1184 NE2 GLN A 75 -4.291 12.165 8.556 1.00 0.00 N ATOM 0 H GLN A 75 -4.215 12.576 3.720 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.890 14.453 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.236 11.754 6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.756 12.465 5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.596 12.290 7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.689 13.988 7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.085 11.277 8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.114 12.253 9.152 1.00 0.00 H new TER 1193 GLN A 75 HETATM 1194 CA CA A 76 2.734 -10.382 -2.351 1.00 0.00 CA HETATM 1195 CA CA A 77 6.675 -6.088 6.908 1.00 0.00 CA