USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 29 SER OG : rot 132:sc= 0.731 USER MOD Set 1.2: A 66 TYR OH : rot 30:sc= -0.606 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.583 K(o=0.97,f=-3.6!) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0.0232 USER MOD Set 2.3: A 21 SER OG : rot 98:sc= 0.368 USER MOD Single : A 15 GLN : amide:sc= -0.0594 X(o=-0.059,f=-0.14) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.0251 (180deg=-0.517) USER MOD Single : A 34 MET CE :methyl -139:sc= -8.52! (180deg=-9.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 118:sc= -2.79! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000237) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.482 K(o=0.48,f=-5.3!) USER MOD Single : A 70 THR OG1 : rot -84:sc= 0.421 USER MOD Single : A 78 THR OG1 : rot 74:sc= 0.446 USER MOD Single : A 79 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.045) USER MOD Single : A 80 TYR OH : rot 158:sc= 0.367 USER MOD Single : A 81 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.21) USER MOD Single : A 84 SER OG : rot 146:sc= 1.17 USER MOD Single : A 87 THR OG1 : rot -45:sc= 1.18 USER MOD Single : A 92 LYS NZ :NH3+ -142:sc= -1.35 (180deg=-3.48!) USER MOD Single : A 93 ASN : amide:sc= 0.294 K(o=0.29,f=-2.5!) USER MOD Single : A 97 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.912) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0.343 (180deg=0.0809) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 108 THR OG1 : rot 180:sc=0.000689 USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.542 USER MOD Single : A 112 SER OG : rot 80:sc= -0.594 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 52:sc= -1.72! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -3.861 -3.143 -10.577 1.00 0.00 N ATOM 2 CA VAL A 14 -5.051 -2.452 -10.054 1.00 0.00 C ATOM 3 C VAL A 14 -5.171 -0.979 -10.496 1.00 0.00 C ATOM 4 O VAL A 14 -6.230 -0.574 -10.971 1.00 0.00 O ATOM 5 CB VAL A 14 -5.197 -2.628 -8.532 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.575 -1.568 -7.614 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.679 -2.913 -8.267 1.00 0.00 C ATOM 0 HA VAL A 14 -5.902 -2.949 -10.519 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.565 -3.466 -8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.763 -1.833 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.500 -1.521 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.020 -0.596 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.838 -3.047 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.280 -2.075 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.975 -3.820 -8.794 1.00 0.00 H new ATOM 17 N GLN A 15 -4.093 -0.221 -10.269 1.00 0.00 N ATOM 18 CA GLN A 15 -4.019 1.246 -10.424 1.00 0.00 C ATOM 19 C GLN A 15 -4.887 2.052 -9.438 1.00 0.00 C ATOM 20 O GLN A 15 -4.461 3.098 -8.956 1.00 0.00 O ATOM 21 CB GLN A 15 -4.186 1.721 -11.877 1.00 0.00 C ATOM 22 CG GLN A 15 -2.987 1.275 -12.706 1.00 0.00 C ATOM 23 CD GLN A 15 -3.178 -0.126 -13.312 1.00 0.00 C ATOM 24 OE1 GLN A 15 -2.756 -1.158 -12.803 1.00 0.00 O ATOM 25 NE2 GLN A 15 -3.768 -0.127 -14.476 1.00 0.00 N ATOM 0 H GLN A 15 -3.209 -0.624 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.992 1.476 -10.139 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.104 1.313 -12.300 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.277 2.807 -11.906 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.816 1.994 -13.507 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.095 1.278 -12.080 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.109 0.747 -14.875 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.888 -1.002 -14.986 1.00 0.00 H new ATOM 34 N ASP A 16 -6.054 1.496 -9.171 1.00 0.00 N ATOM 35 CA ASP A 16 -7.031 1.912 -8.150 1.00 0.00 C ATOM 36 C ASP A 16 -7.795 0.711 -7.568 1.00 0.00 C ATOM 37 O ASP A 16 -8.746 0.181 -8.150 1.00 0.00 O ATOM 38 CB ASP A 16 -8.019 2.949 -8.690 1.00 0.00 C ATOM 39 CG ASP A 16 -9.006 3.472 -7.635 1.00 0.00 C ATOM 40 OD1 ASP A 16 -10.149 3.804 -8.032 1.00 0.00 O ATOM 41 OD2 ASP A 16 -8.622 3.520 -6.447 1.00 0.00 O ATOM 0 H ASP A 16 -6.379 0.682 -9.693 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.456 2.375 -7.349 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.460 3.790 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.581 2.508 -9.513 1.00 0.00 H new ATOM 47 N VAL A 17 -7.347 0.319 -6.395 1.00 0.00 N ATOM 48 CA VAL A 17 -7.993 -0.747 -5.600 1.00 0.00 C ATOM 49 C VAL A 17 -9.145 -0.246 -4.704 1.00 0.00 C ATOM 50 O VAL A 17 -9.298 -0.586 -3.534 1.00 0.00 O ATOM 51 CB VAL A 17 -6.907 -1.597 -4.897 1.00 0.00 C ATOM 52 CG1 VAL A 17 -6.203 -0.952 -3.711 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.427 -2.989 -4.551 1.00 0.00 C ATOM 0 H VAL A 17 -6.523 0.721 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.524 -1.420 -6.273 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.119 -1.679 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.466 -1.645 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.703 -0.040 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.936 -0.709 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.640 -3.560 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.284 -2.902 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.730 -3.502 -5.464 1.00 0.00 H new ATOM 63 N ASN A 18 -10.090 0.416 -5.371 1.00 0.00 N ATOM 64 CA ASN A 18 -11.276 1.001 -4.730 1.00 0.00 C ATOM 65 C ASN A 18 -12.274 -0.094 -4.312 1.00 0.00 C ATOM 66 O ASN A 18 -12.088 -1.260 -4.657 1.00 0.00 O ATOM 67 CB ASN A 18 -11.876 2.000 -5.736 1.00 0.00 C ATOM 68 CG ASN A 18 -12.302 1.312 -7.031 1.00 0.00 C ATOM 69 OD1 ASN A 18 -11.627 0.519 -7.680 1.00 0.00 O ATOM 70 ND2 ASN A 18 -13.433 1.702 -7.517 1.00 0.00 N ATOM 0 H ASN A 18 -10.057 0.565 -6.380 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.016 1.520 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.737 2.495 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.143 2.775 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.747 1.351 -8.422 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -14.012 2.361 -6.996 1.00 0.00 H new ATOM 77 N ASP A 19 -13.460 0.327 -3.870 1.00 0.00 N ATOM 78 CA ASP A 19 -14.481 -0.568 -3.277 1.00 0.00 C ATOM 79 C ASP A 19 -14.815 -1.870 -4.031 1.00 0.00 C ATOM 80 O ASP A 19 -14.888 -2.929 -3.420 1.00 0.00 O ATOM 81 CB ASP A 19 -15.750 0.208 -2.905 1.00 0.00 C ATOM 82 CG ASP A 19 -16.433 0.899 -4.088 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.790 1.817 -4.652 1.00 0.00 O ATOM 84 OD2 ASP A 19 -17.555 0.475 -4.435 1.00 0.00 O ATOM 0 H ASP A 19 -13.751 1.304 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.987 -0.937 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.459 -0.478 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.497 0.959 -2.157 1.00 0.00 H new ATOM 90 N SER A 20 -14.922 -1.793 -5.353 1.00 0.00 N ATOM 91 CA SER A 20 -15.187 -2.965 -6.211 1.00 0.00 C ATOM 92 C SER A 20 -13.996 -3.932 -6.274 1.00 0.00 C ATOM 93 O SER A 20 -14.106 -5.112 -5.966 1.00 0.00 O ATOM 94 CB SER A 20 -15.557 -2.461 -7.608 1.00 0.00 C ATOM 95 OG SER A 20 -14.601 -1.482 -8.047 1.00 0.00 O ATOM 0 H SER A 20 -14.829 -0.919 -5.870 1.00 0.00 H new ATOM 0 HA SER A 20 -16.011 -3.535 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.584 -3.295 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.556 -2.025 -7.593 1.00 0.00 H new ATOM 0 HG SER A 20 -14.844 -1.166 -8.942 1.00 0.00 H new ATOM 101 N SER A 21 -12.819 -3.363 -6.559 1.00 0.00 N ATOM 102 CA SER A 21 -11.547 -4.097 -6.633 1.00 0.00 C ATOM 103 C SER A 21 -11.053 -4.600 -5.273 1.00 0.00 C ATOM 104 O SER A 21 -10.425 -5.651 -5.231 1.00 0.00 O ATOM 105 CB SER A 21 -10.406 -3.258 -7.181 1.00 0.00 C ATOM 106 OG SER A 21 -10.919 -2.365 -8.191 1.00 0.00 O ATOM 0 H SER A 21 -12.720 -2.365 -6.748 1.00 0.00 H new ATOM 0 HA SER A 21 -11.787 -4.928 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.939 -2.688 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.636 -3.902 -7.605 1.00 0.00 H new ATOM 0 HG SER A 21 -11.078 -1.482 -7.797 1.00 0.00 H new ATOM 112 N TRP A 22 -11.320 -3.851 -4.206 1.00 0.00 N ATOM 113 CA TRP A 22 -10.848 -4.158 -2.847 1.00 0.00 C ATOM 114 C TRP A 22 -11.062 -5.630 -2.484 1.00 0.00 C ATOM 115 O TRP A 22 -10.104 -6.353 -2.227 1.00 0.00 O ATOM 116 CB TRP A 22 -11.541 -3.204 -1.879 1.00 0.00 C ATOM 117 CG TRP A 22 -10.931 -3.322 -0.483 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.463 -3.971 0.543 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.716 -2.803 -0.071 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.658 -3.888 1.601 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.562 -3.222 1.261 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.721 -2.013 -0.695 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.397 -2.895 1.985 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.561 -1.685 0.022 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.395 -2.124 1.352 1.00 0.00 C ATOM 0 H TRP A 22 -11.879 -2.999 -4.256 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.770 -4.008 -2.785 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.446 -2.179 -2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.607 -3.430 -1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.410 -4.491 0.524 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.853 -4.275 2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.853 -1.667 -1.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.272 -3.228 3.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.790 -1.092 -0.447 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.495 -1.869 1.892 1.00 0.00 H new ATOM 136 N LYS A 23 -12.267 -6.108 -2.749 1.00 0.00 N ATOM 137 CA LYS A 23 -12.583 -7.530 -2.554 1.00 0.00 C ATOM 138 C LYS A 23 -11.757 -8.480 -3.420 1.00 0.00 C ATOM 139 O LYS A 23 -10.805 -9.067 -2.926 1.00 0.00 O ATOM 140 CB LYS A 23 -14.074 -7.790 -2.712 1.00 0.00 C ATOM 141 CG LYS A 23 -14.707 -7.110 -1.517 1.00 0.00 C ATOM 142 CD LYS A 23 -16.212 -7.338 -1.576 1.00 0.00 C ATOM 143 CE LYS A 23 -16.886 -6.537 -0.462 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.514 -7.195 0.788 1.00 0.00 N ATOM 0 H LYS A 23 -13.043 -5.545 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.296 -7.754 -1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.451 -7.379 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.292 -8.858 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.298 -7.513 -0.591 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.484 -6.043 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.601 -7.031 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.436 -8.399 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.553 -5.499 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.968 -6.525 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.205 -6.954 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.502 -8.225 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.569 -6.875 1.081 1.00 0.00 H new ATOM 158 N GLU A 24 -12.003 -8.430 -4.726 1.00 0.00 N ATOM 159 CA GLU A 24 -11.317 -9.289 -5.705 1.00 0.00 C ATOM 160 C GLU A 24 -9.780 -9.198 -5.784 1.00 0.00 C ATOM 161 O GLU A 24 -9.199 -10.071 -6.415 1.00 0.00 O ATOM 162 CB GLU A 24 -11.906 -9.089 -7.112 1.00 0.00 C ATOM 163 CG GLU A 24 -11.757 -7.638 -7.558 1.00 0.00 C ATOM 164 CD GLU A 24 -12.113 -7.447 -9.029 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.300 -7.676 -9.367 1.00 0.00 O ATOM 166 OE2 GLU A 24 -11.174 -7.137 -9.789 1.00 0.00 O ATOM 0 H GLU A 24 -12.683 -7.794 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.509 -10.289 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.401 -9.746 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.959 -9.369 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.398 -7.004 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.731 -7.311 -7.389 1.00 0.00 H new ATOM 174 N PHE A 25 -9.187 -8.078 -5.357 1.00 0.00 N ATOM 175 CA PHE A 25 -7.718 -7.956 -5.373 1.00 0.00 C ATOM 176 C PHE A 25 -6.959 -7.882 -4.054 1.00 0.00 C ATOM 177 O PHE A 25 -5.776 -8.217 -4.008 1.00 0.00 O ATOM 178 CB PHE A 25 -7.277 -6.798 -6.266 1.00 0.00 C ATOM 179 CG PHE A 25 -7.277 -7.228 -7.734 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.198 -8.003 -8.213 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.153 -6.557 -8.615 1.00 0.00 C ATOM 182 CE1 PHE A 25 -5.959 -8.072 -9.606 1.00 0.00 C ATOM 183 CE2 PHE A 25 -7.908 -6.627 -10.001 1.00 0.00 C ATOM 184 CZ PHE A 25 -6.811 -7.362 -10.485 1.00 0.00 C ATOM 0 H PHE A 25 -9.683 -7.260 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.435 -8.932 -5.767 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.947 -5.949 -6.129 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.279 -6.467 -5.977 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.562 -8.538 -7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.996 -6.000 -8.233 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.138 -8.658 -9.993 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.563 -6.116 -10.692 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.615 -7.385 -11.547 1.00 0.00 H new ATOM 194 N VAL A 26 -7.662 -7.552 -2.977 1.00 0.00 N ATOM 195 CA VAL A 26 -7.053 -7.435 -1.629 1.00 0.00 C ATOM 196 C VAL A 26 -7.607 -8.525 -0.691 1.00 0.00 C ATOM 197 O VAL A 26 -6.859 -9.135 0.073 1.00 0.00 O ATOM 198 CB VAL A 26 -7.203 -6.027 -1.029 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.615 -5.913 0.389 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.455 -4.995 -1.878 1.00 0.00 C ATOM 0 H VAL A 26 -8.663 -7.357 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.981 -7.595 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.277 -5.841 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.751 -4.897 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.126 -6.612 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.551 -6.150 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.574 -4.006 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.396 -5.252 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.862 -4.992 -2.889 1.00 0.00 H new ATOM 210 N LEU A 27 -8.918 -8.723 -0.746 1.00 0.00 N ATOM 211 CA LEU A 27 -9.547 -9.744 0.124 1.00 0.00 C ATOM 212 C LEU A 27 -9.575 -11.132 -0.534 1.00 0.00 C ATOM 213 O LEU A 27 -9.896 -12.125 0.114 1.00 0.00 O ATOM 214 CB LEU A 27 -10.948 -9.317 0.588 1.00 0.00 C ATOM 215 CG LEU A 27 -11.087 -7.835 0.972 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.498 -7.629 1.522 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.068 -7.302 1.974 1.00 0.00 C ATOM 0 H LEU A 27 -9.559 -8.217 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.918 -9.823 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.660 -9.538 -0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.230 -9.926 1.447 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.892 -7.266 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.629 -6.585 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.229 -7.893 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.644 -8.263 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.265 -6.248 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.146 -7.863 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.063 -7.414 1.566 1.00 0.00 H new ATOM 229 N GLU A 28 -9.370 -11.164 -1.851 1.00 0.00 N ATOM 230 CA GLU A 28 -9.260 -12.387 -2.651 1.00 0.00 C ATOM 231 C GLU A 28 -8.028 -12.232 -3.533 1.00 0.00 C ATOM 232 O GLU A 28 -8.029 -11.468 -4.485 1.00 0.00 O ATOM 233 CB GLU A 28 -10.493 -12.583 -3.552 1.00 0.00 C ATOM 234 CG GLU A 28 -11.745 -13.008 -2.798 1.00 0.00 C ATOM 235 CD GLU A 28 -12.829 -11.919 -2.809 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.671 -11.956 -3.731 1.00 0.00 O ATOM 237 OE2 GLU A 28 -12.849 -11.121 -1.843 1.00 0.00 O ATOM 0 H GLU A 28 -9.273 -10.315 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.188 -13.251 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.697 -11.651 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.263 -13.334 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.144 -13.919 -3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.483 -13.246 -1.767 1.00 0.00 H new ATOM 245 N SER A 29 -6.915 -12.729 -3.019 1.00 0.00 N ATOM 246 CA SER A 29 -5.633 -12.567 -3.743 1.00 0.00 C ATOM 247 C SER A 29 -4.665 -13.733 -3.470 1.00 0.00 C ATOM 248 O SER A 29 -5.052 -14.796 -3.009 1.00 0.00 O ATOM 249 CB SER A 29 -5.090 -11.184 -3.342 1.00 0.00 C ATOM 250 OG SER A 29 -3.970 -10.782 -4.151 1.00 0.00 O ATOM 0 H SER A 29 -6.855 -13.234 -2.135 1.00 0.00 H new ATOM 0 HA SER A 29 -5.768 -12.604 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.885 -10.444 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.790 -11.204 -2.294 1.00 0.00 H new ATOM 0 HG SER A 29 -4.105 -9.863 -4.464 1.00 0.00 H new ATOM 256 N GLU A 30 -3.384 -13.385 -3.591 1.00 0.00 N ATOM 257 CA GLU A 30 -2.176 -14.199 -3.405 1.00 0.00 C ATOM 258 C GLU A 30 -1.981 -14.666 -1.947 1.00 0.00 C ATOM 259 O GLU A 30 -1.082 -15.440 -1.626 1.00 0.00 O ATOM 260 CB GLU A 30 -1.048 -13.256 -3.811 1.00 0.00 C ATOM 261 CG GLU A 30 0.343 -13.890 -3.852 1.00 0.00 C ATOM 262 CD GLU A 30 0.462 -14.866 -5.023 1.00 0.00 C ATOM 263 OE1 GLU A 30 0.126 -16.061 -4.836 1.00 0.00 O ATOM 264 OE2 GLU A 30 0.866 -14.383 -6.102 1.00 0.00 O ATOM 0 H GLU A 30 -3.138 -12.429 -3.848 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.222 -15.119 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.273 -12.847 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.028 -12.417 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.100 -13.111 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.537 -14.413 -2.916 1.00 0.00 H new ATOM 272 N VAL A 31 -2.882 -14.142 -1.122 1.00 0.00 N ATOM 273 CA VAL A 31 -3.026 -14.283 0.328 1.00 0.00 C ATOM 274 C VAL A 31 -2.265 -13.178 1.088 1.00 0.00 C ATOM 275 O VAL A 31 -2.963 -12.220 1.426 1.00 0.00 O ATOM 276 CB VAL A 31 -3.038 -15.749 0.815 1.00 0.00 C ATOM 277 CG1 VAL A 31 -3.361 -15.849 2.304 1.00 0.00 C ATOM 278 CG2 VAL A 31 -4.128 -16.546 0.072 1.00 0.00 C ATOM 0 H VAL A 31 -3.615 -13.538 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.042 -14.046 0.645 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.043 -16.149 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.360 -16.896 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.610 -15.305 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.344 -15.418 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.127 -17.578 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.102 -16.097 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.926 -16.527 -0.999 1.00 0.00 H new ATOM 288 N PRO A 32 -0.930 -13.132 1.232 1.00 0.00 N ATOM 289 CA PRO A 32 -0.282 -11.934 1.818 1.00 0.00 C ATOM 290 C PRO A 32 -0.378 -10.802 0.783 1.00 0.00 C ATOM 291 O PRO A 32 -0.058 -10.950 -0.393 1.00 0.00 O ATOM 292 CB PRO A 32 1.168 -12.319 2.092 1.00 0.00 C ATOM 293 CG PRO A 32 1.209 -13.838 1.966 1.00 0.00 C ATOM 294 CD PRO A 32 0.089 -14.164 0.979 1.00 0.00 C ATOM 0 HA PRO A 32 -0.751 -11.597 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.843 -11.846 1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.480 -11.998 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.176 -14.181 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.044 -14.322 2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.444 -14.129 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.309 -15.165 1.145 1.00 0.00 H new ATOM 302 N VAL A 33 -1.107 -9.768 1.205 1.00 0.00 N ATOM 303 CA VAL A 33 -1.403 -8.602 0.359 1.00 0.00 C ATOM 304 C VAL A 33 -0.858 -7.345 1.032 1.00 0.00 C ATOM 305 O VAL A 33 -1.014 -7.162 2.239 1.00 0.00 O ATOM 306 CB VAL A 33 -2.934 -8.490 0.138 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.312 -7.279 -0.708 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.496 -9.722 -0.554 1.00 0.00 C ATOM 0 H VAL A 33 -1.510 -9.711 2.140 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.925 -8.717 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.360 -8.388 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.394 -7.246 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.976 -6.369 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.836 -7.355 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.571 -9.604 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.018 -9.843 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.302 -10.603 0.058 1.00 0.00 H new ATOM 318 N MET A 34 -0.354 -6.471 0.162 1.00 0.00 N ATOM 319 CA MET A 34 0.170 -5.159 0.562 1.00 0.00 C ATOM 320 C MET A 34 -0.541 -4.071 -0.250 1.00 0.00 C ATOM 321 O MET A 34 -0.712 -4.164 -1.467 1.00 0.00 O ATOM 322 CB MET A 34 1.663 -5.129 0.292 1.00 0.00 C ATOM 323 CG MET A 34 2.309 -3.901 0.927 1.00 0.00 C ATOM 324 SD MET A 34 4.137 -3.945 0.837 1.00 0.00 S ATOM 325 CE MET A 34 4.433 -5.457 1.732 1.00 0.00 C ATOM 0 H MET A 34 -0.296 -6.649 -0.841 1.00 0.00 H new ATOM 0 HA MET A 34 -0.006 -4.982 1.623 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.126 -6.033 0.687 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.842 -5.123 -0.783 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.945 -3.003 0.427 1.00 0.00 H new ATOM 0 HG3 MET A 34 2.001 -3.831 1.970 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.294 -5.329 2.388 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.555 -5.704 2.329 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.632 -6.264 1.027 1.00 0.00 H new ATOM 335 N VAL A 35 -0.917 -3.018 0.452 1.00 0.00 N ATOM 336 CA VAL A 35 -1.648 -1.902 -0.189 1.00 0.00 C ATOM 337 C VAL A 35 -1.130 -0.525 0.244 1.00 0.00 C ATOM 338 O VAL A 35 -0.979 -0.250 1.429 1.00 0.00 O ATOM 339 CB VAL A 35 -3.163 -2.121 0.012 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.569 -2.212 1.480 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.984 -1.031 -0.680 1.00 0.00 C ATOM 0 H VAL A 35 -0.740 -2.897 1.449 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.458 -1.905 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.380 -3.085 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.646 -2.366 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.051 -3.048 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.301 -1.287 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.046 -1.217 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.719 -0.058 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.773 -1.041 -1.749 1.00 0.00 H new ATOM 351 N ASP A 36 -0.887 0.299 -0.764 1.00 0.00 N ATOM 352 CA ASP A 36 -0.462 1.698 -0.619 1.00 0.00 C ATOM 353 C ASP A 36 -1.678 2.621 -0.785 1.00 0.00 C ATOM 354 O ASP A 36 -2.468 2.511 -1.717 1.00 0.00 O ATOM 355 CB ASP A 36 0.610 1.980 -1.682 1.00 0.00 C ATOM 356 CG ASP A 36 1.218 3.379 -1.583 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.939 4.182 -2.506 1.00 0.00 O ATOM 358 OD2 ASP A 36 1.947 3.614 -0.597 1.00 0.00 O ATOM 0 H ASP A 36 -0.981 0.011 -1.738 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.041 1.882 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.405 1.240 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.171 1.853 -2.671 1.00 0.00 H new ATOM 364 N PHE A 37 -1.814 3.504 0.192 1.00 0.00 N ATOM 365 CA PHE A 37 -2.885 4.513 0.217 1.00 0.00 C ATOM 366 C PHE A 37 -2.373 5.903 -0.123 1.00 0.00 C ATOM 367 O PHE A 37 -1.495 6.436 0.560 1.00 0.00 O ATOM 368 CB PHE A 37 -3.549 4.586 1.595 1.00 0.00 C ATOM 369 CG PHE A 37 -4.468 3.402 1.875 1.00 0.00 C ATOM 370 CD1 PHE A 37 -3.943 2.145 2.257 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.855 3.621 1.799 1.00 0.00 C ATOM 372 CE1 PHE A 37 -4.833 1.081 2.541 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.747 2.564 2.099 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.226 1.304 2.444 1.00 0.00 C ATOM 0 H PHE A 37 -1.188 3.549 0.996 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.606 4.197 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.777 4.629 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.123 5.510 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.876 1.999 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.237 4.590 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.453 0.112 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.815 2.723 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.906 0.488 2.639 1.00 0.00 H new ATOM 384 N TRP A 38 -2.979 6.467 -1.149 1.00 0.00 N ATOM 385 CA TRP A 38 -2.644 7.835 -1.585 1.00 0.00 C ATOM 386 C TRP A 38 -3.881 8.732 -1.620 1.00 0.00 C ATOM 387 O TRP A 38 -5.000 8.278 -1.871 1.00 0.00 O ATOM 388 CB TRP A 38 -1.888 7.820 -2.920 1.00 0.00 C ATOM 389 CG TRP A 38 -2.782 7.755 -4.150 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.393 6.661 -4.596 1.00 0.00 C ATOM 391 CD2 TRP A 38 -3.280 8.835 -4.876 1.00 0.00 C ATOM 392 NE1 TRP A 38 -4.234 6.973 -5.581 1.00 0.00 N ATOM 393 CE2 TRP A 38 -4.225 8.287 -5.772 1.00 0.00 C ATOM 394 CE3 TRP A 38 -3.074 10.234 -4.826 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.987 9.126 -6.601 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.813 11.056 -5.679 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.765 10.517 -6.566 1.00 0.00 C ATOM 0 H TRP A 38 -3.705 6.013 -1.703 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.971 8.269 -0.846 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.269 8.715 -2.983 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -1.213 6.964 -2.931 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.231 5.664 -4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.798 6.305 -6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.357 10.659 -4.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.736 8.709 -7.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.652 12.124 -5.658 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.325 11.170 -7.219 1.00 0.00 H new ATOM 408 N ALA A 39 -3.618 10.035 -1.562 1.00 0.00 N ATOM 409 CA ALA A 39 -4.688 11.041 -1.472 1.00 0.00 C ATOM 410 C ALA A 39 -4.361 12.267 -2.320 1.00 0.00 C ATOM 411 O ALA A 39 -3.239 12.762 -2.220 1.00 0.00 O ATOM 412 CB ALA A 39 -4.879 11.453 -0.020 1.00 0.00 C ATOM 0 H ALA A 39 -2.676 10.425 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.609 10.600 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.672 12.198 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.152 10.580 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.951 11.876 0.363 1.00 0.00 H new ATOM 418 N PRO A 40 -5.329 12.777 -3.084 1.00 0.00 N ATOM 419 CA PRO A 40 -5.167 13.981 -3.932 1.00 0.00 C ATOM 420 C PRO A 40 -4.756 15.220 -3.139 1.00 0.00 C ATOM 421 O PRO A 40 -3.972 16.033 -3.621 1.00 0.00 O ATOM 422 CB PRO A 40 -6.515 14.183 -4.600 1.00 0.00 C ATOM 423 CG PRO A 40 -7.153 12.795 -4.592 1.00 0.00 C ATOM 424 CD PRO A 40 -6.661 12.173 -3.300 1.00 0.00 C ATOM 0 HA PRO A 40 -4.362 13.836 -4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.125 14.904 -4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.403 14.563 -5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.241 12.856 -4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.846 12.210 -5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.335 12.392 -2.472 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.597 11.088 -3.381 1.00 0.00 H new ATOM 557 N ALA A 49 5.387 5.701 -4.278 1.00 0.00 N ATOM 558 CA ALA A 49 5.278 4.315 -3.757 1.00 0.00 C ATOM 559 C ALA A 49 6.662 3.659 -3.586 1.00 0.00 C ATOM 560 O ALA A 49 6.747 2.442 -3.649 1.00 0.00 O ATOM 561 CB ALA A 49 4.301 3.578 -4.672 1.00 0.00 C ATOM 0 HA ALA A 49 4.877 4.284 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.187 2.550 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.333 4.078 -4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.686 3.580 -5.692 1.00 0.00 H new ATOM 567 N PRO A 50 7.646 4.399 -3.047 1.00 0.00 N ATOM 568 CA PRO A 50 9.055 3.977 -3.132 1.00 0.00 C ATOM 569 C PRO A 50 9.310 2.647 -2.424 1.00 0.00 C ATOM 570 O PRO A 50 9.463 1.617 -3.080 1.00 0.00 O ATOM 571 CB PRO A 50 9.872 5.097 -2.507 1.00 0.00 C ATOM 572 CG PRO A 50 8.885 6.113 -1.928 1.00 0.00 C ATOM 573 CD PRO A 50 7.503 5.456 -2.022 1.00 0.00 C ATOM 0 HA PRO A 50 9.336 3.807 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.524 4.707 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.514 5.567 -3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.134 6.354 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.912 7.047 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.200 5.036 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.741 6.181 -2.307 1.00 0.00 H new ATOM 581 N VAL A 51 9.110 2.667 -1.101 1.00 0.00 N ATOM 582 CA VAL A 51 9.275 1.482 -0.228 1.00 0.00 C ATOM 583 C VAL A 51 8.400 0.319 -0.723 1.00 0.00 C ATOM 584 O VAL A 51 8.935 -0.737 -0.989 1.00 0.00 O ATOM 585 CB VAL A 51 8.991 1.824 1.243 1.00 0.00 C ATOM 586 CG1 VAL A 51 9.396 0.652 2.143 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.778 3.044 1.732 1.00 0.00 C ATOM 0 H VAL A 51 8.827 3.507 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 51 10.316 1.162 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 51 7.923 2.036 1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.191 0.904 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.825 -0.234 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.460 0.451 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.537 3.238 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.846 2.850 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.512 3.914 1.131 1.00 0.00 H new ATOM 597 N ILE A 52 7.157 0.589 -1.092 1.00 0.00 N ATOM 598 CA ILE A 52 6.190 -0.401 -1.613 1.00 0.00 C ATOM 599 C ILE A 52 6.657 -1.061 -2.917 1.00 0.00 C ATOM 600 O ILE A 52 6.750 -2.285 -3.001 1.00 0.00 O ATOM 601 CB ILE A 52 4.825 0.330 -1.702 1.00 0.00 C ATOM 602 CG1 ILE A 52 4.160 0.476 -0.331 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.792 -0.366 -2.600 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.915 1.335 0.692 1.00 0.00 C ATOM 0 H ILE A 52 6.768 1.531 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 52 6.096 -1.257 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 52 5.090 1.296 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.168 0.904 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.020 -0.519 0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.867 0.211 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.182 -0.437 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.593 -1.367 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.352 1.368 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.898 0.901 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.032 2.346 0.302 1.00 0.00 H new ATOM 616 N ASP A 53 7.148 -0.220 -3.823 1.00 0.00 N ATOM 617 CA ASP A 53 7.683 -0.692 -5.112 1.00 0.00 C ATOM 618 C ASP A 53 8.925 -1.580 -4.972 1.00 0.00 C ATOM 619 O ASP A 53 9.133 -2.545 -5.711 1.00 0.00 O ATOM 620 CB ASP A 53 7.956 0.524 -5.996 1.00 0.00 C ATOM 621 CG ASP A 53 6.714 1.057 -6.712 1.00 0.00 C ATOM 622 OD1 ASP A 53 6.926 1.668 -7.773 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.627 1.175 -6.109 1.00 0.00 O ATOM 0 H ASP A 53 7.190 0.791 -3.696 1.00 0.00 H new ATOM 0 HA ASP A 53 6.935 -1.334 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.380 1.319 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.708 0.260 -6.740 1.00 0.00 H new ATOM 629 N GLU A 54 9.653 -1.268 -3.914 1.00 0.00 N ATOM 630 CA GLU A 54 10.826 -2.039 -3.476 1.00 0.00 C ATOM 631 C GLU A 54 10.454 -3.315 -2.722 1.00 0.00 C ATOM 632 O GLU A 54 10.951 -4.387 -3.053 1.00 0.00 O ATOM 633 CB GLU A 54 11.663 -1.153 -2.555 1.00 0.00 C ATOM 634 CG GLU A 54 12.299 0.019 -3.316 1.00 0.00 C ATOM 635 CD GLU A 54 13.089 0.897 -2.343 1.00 0.00 C ATOM 636 OE1 GLU A 54 14.284 0.606 -2.164 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.455 1.798 -1.741 1.00 0.00 O ATOM 0 H GLU A 54 9.452 -0.463 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 54 11.377 -2.340 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.035 -0.767 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.446 -1.751 -2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.958 -0.358 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.525 0.609 -3.807 1.00 0.00 H new ATOM 645 N LEU A 55 9.453 -3.227 -1.841 1.00 0.00 N ATOM 646 CA LEU A 55 8.893 -4.377 -1.111 1.00 0.00 C ATOM 647 C LEU A 55 8.302 -5.434 -2.054 1.00 0.00 C ATOM 648 O LEU A 55 8.393 -6.636 -1.787 1.00 0.00 O ATOM 649 CB LEU A 55 7.838 -3.947 -0.089 1.00 0.00 C ATOM 650 CG LEU A 55 8.376 -3.073 1.067 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.244 -2.660 1.991 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.469 -3.808 1.858 1.00 0.00 C ATOM 0 H LEU A 55 9.000 -2.343 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 55 9.730 -4.827 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.053 -3.396 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.376 -4.839 0.333 1.00 0.00 H new ATOM 0 HG LEU A 55 8.819 -2.178 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.640 -2.045 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.506 -2.088 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.773 -3.549 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.828 -3.168 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.059 -4.726 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.297 -4.052 1.193 1.00 0.00 H new ATOM 664 N ALA A 56 7.954 -4.971 -3.254 1.00 0.00 N ATOM 665 CA ALA A 56 7.501 -5.814 -4.380 1.00 0.00 C ATOM 666 C ALA A 56 8.622 -6.741 -4.877 1.00 0.00 C ATOM 667 O ALA A 56 8.435 -7.945 -4.988 1.00 0.00 O ATOM 668 CB ALA A 56 7.059 -4.898 -5.523 1.00 0.00 C ATOM 0 H ALA A 56 7.977 -3.978 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 56 6.676 -6.439 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.721 -5.503 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.243 -4.260 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.898 -4.277 -5.837 1.00 0.00 H new ATOM 674 N LYS A 57 9.792 -6.160 -5.168 1.00 0.00 N ATOM 675 CA LYS A 57 10.963 -6.956 -5.569 1.00 0.00 C ATOM 676 C LYS A 57 11.666 -7.694 -4.414 1.00 0.00 C ATOM 677 O LYS A 57 12.337 -8.702 -4.649 1.00 0.00 O ATOM 678 CB LYS A 57 11.951 -6.144 -6.406 1.00 0.00 C ATOM 679 CG LYS A 57 12.474 -4.958 -5.626 1.00 0.00 C ATOM 680 CD LYS A 57 13.694 -4.410 -6.323 1.00 0.00 C ATOM 681 CE LYS A 57 14.021 -3.276 -5.393 1.00 0.00 C ATOM 682 NZ LYS A 57 15.292 -2.667 -5.747 1.00 0.00 N ATOM 0 H LYS A 57 9.955 -5.154 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 57 10.555 -7.745 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.783 -6.779 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.463 -5.798 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.706 -4.188 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.725 -5.258 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.500 -5.140 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.481 -4.072 -7.337 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.230 -2.527 -5.434 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.061 -3.642 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.497 -1.886 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.047 -3.379 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.242 -2.299 -6.718 1.00 0.00 H new ATOM 696 N GLU A 58 11.445 -7.202 -3.197 1.00 0.00 N ATOM 697 CA GLU A 58 11.890 -7.853 -1.951 1.00 0.00 C ATOM 698 C GLU A 58 11.122 -9.146 -1.626 1.00 0.00 C ATOM 699 O GLU A 58 11.709 -10.144 -1.180 1.00 0.00 O ATOM 700 CB GLU A 58 11.698 -6.846 -0.818 1.00 0.00 C ATOM 701 CG GLU A 58 12.950 -6.029 -0.576 1.00 0.00 C ATOM 702 CD GLU A 58 12.634 -4.808 0.289 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.408 -3.737 -0.308 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.593 -4.973 1.527 1.00 0.00 O ATOM 0 H GLU A 58 10.945 -6.327 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 58 12.933 -8.146 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.870 -6.180 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.426 -7.374 0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.704 -6.645 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.372 -5.708 -1.529 1.00 0.00 H new ATOM 712 N TYR A 59 9.825 -9.082 -1.868 1.00 0.00 N ATOM 713 CA TYR A 59 8.901 -10.220 -1.667 1.00 0.00 C ATOM 714 C TYR A 59 8.081 -10.572 -2.909 1.00 0.00 C ATOM 715 O TYR A 59 6.854 -10.571 -2.960 1.00 0.00 O ATOM 716 CB TYR A 59 7.872 -9.965 -0.589 1.00 0.00 C ATOM 717 CG TYR A 59 8.496 -9.605 0.714 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.279 -10.555 1.379 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.500 -8.222 0.942 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.147 -10.082 2.361 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.384 -7.734 1.899 1.00 0.00 C ATOM 722 CZ TYR A 59 10.151 -8.705 2.573 1.00 0.00 C ATOM 723 OH TYR A 59 11.167 -8.297 3.282 1.00 0.00 O ATOM 0 H TYR A 59 9.365 -8.239 -2.213 1.00 0.00 H new ATOM 0 HA TYR A 59 9.579 -11.030 -1.398 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.209 -9.160 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.255 -10.855 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.214 -11.607 1.142 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.843 -7.561 0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.782 -10.747 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.476 -6.679 2.112 1.00 0.00 H new ATOM 0 HH TYR A 59 11.713 -7.683 2.748 1.00 0.00 H new ATOM 733 N SER A 60 8.872 -10.878 -3.921 1.00 0.00 N ATOM 734 CA SER A 60 8.383 -11.424 -5.196 1.00 0.00 C ATOM 735 C SER A 60 7.640 -12.726 -4.986 1.00 0.00 C ATOM 736 O SER A 60 8.191 -13.682 -4.433 1.00 0.00 O ATOM 737 CB SER A 60 9.573 -11.815 -6.044 1.00 0.00 C ATOM 738 OG SER A 60 10.068 -10.555 -6.440 1.00 0.00 O ATOM 0 H SER A 60 9.884 -10.757 -3.891 1.00 0.00 H new ATOM 0 HA SER A 60 7.745 -10.665 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.310 -12.385 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.284 -12.428 -6.898 1.00 0.00 H new ATOM 0 HG SER A 60 10.859 -10.677 -7.006 1.00 0.00 H new ATOM 744 N GLY A 61 6.344 -12.616 -5.204 1.00 0.00 N ATOM 745 CA GLY A 61 5.418 -13.753 -5.054 1.00 0.00 C ATOM 746 C GLY A 61 4.718 -13.715 -3.693 1.00 0.00 C ATOM 747 O GLY A 61 3.514 -13.935 -3.618 1.00 0.00 O ATOM 0 H GLY A 61 5.892 -11.747 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.674 -13.728 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.966 -14.689 -5.159 1.00 0.00 H new ATOM 751 N LYS A 62 5.457 -13.285 -2.669 1.00 0.00 N ATOM 752 CA LYS A 62 4.918 -13.167 -1.290 1.00 0.00 C ATOM 753 C LYS A 62 3.689 -12.277 -1.189 1.00 0.00 C ATOM 754 O LYS A 62 2.677 -12.692 -0.646 1.00 0.00 O ATOM 755 CB LYS A 62 5.865 -12.578 -0.241 1.00 0.00 C ATOM 756 CG LYS A 62 6.734 -13.617 0.437 1.00 0.00 C ATOM 757 CD LYS A 62 7.803 -14.068 -0.537 1.00 0.00 C ATOM 758 CE LYS A 62 9.039 -14.600 0.171 1.00 0.00 C ATOM 759 NZ LYS A 62 10.064 -14.565 -0.872 1.00 0.00 N ATOM 0 H LYS A 62 6.435 -13.009 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 62 4.714 -14.217 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.505 -11.835 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.278 -12.057 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.192 -13.199 1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.129 -14.467 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.396 -14.843 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.085 -13.232 -1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.312 -13.980 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.883 -15.611 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.960 -14.931 -0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.763 -15.154 -1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.199 -13.585 -1.194 1.00 0.00 H new ATOM 773 N ILE A 63 3.863 -11.029 -1.600 1.00 0.00 N ATOM 774 CA ILE A 63 2.803 -10.032 -1.467 1.00 0.00 C ATOM 775 C ILE A 63 2.384 -9.426 -2.798 1.00 0.00 C ATOM 776 O ILE A 63 3.183 -9.155 -3.689 1.00 0.00 O ATOM 777 CB ILE A 63 3.102 -8.931 -0.415 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.471 -8.276 -0.562 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.990 -9.475 1.002 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.504 -7.157 -1.614 1.00 0.00 C ATOM 0 H ILE A 63 4.722 -10.681 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 63 1.952 -10.596 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 63 2.346 -8.168 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.775 -7.867 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.203 -9.038 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.205 -8.679 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.980 -9.849 1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.705 -10.287 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.508 -6.736 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.231 -7.565 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.797 -6.376 -1.336 1.00 0.00 H new ATOM 792 N ALA A 64 1.069 -9.339 -2.899 1.00 0.00 N ATOM 793 CA ALA A 64 0.393 -8.672 -4.014 1.00 0.00 C ATOM 794 C ALA A 64 0.220 -7.193 -3.656 1.00 0.00 C ATOM 795 O ALA A 64 -0.377 -6.847 -2.637 1.00 0.00 O ATOM 796 CB ALA A 64 -0.954 -9.370 -4.214 1.00 0.00 C ATOM 0 H ALA A 64 0.429 -9.730 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 64 0.963 -8.730 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.489 -8.899 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.788 -10.423 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.546 -9.286 -3.303 1.00 0.00 H new ATOM 802 N VAL A 65 1.009 -6.381 -4.340 1.00 0.00 N ATOM 803 CA VAL A 65 1.077 -4.914 -4.133 1.00 0.00 C ATOM 804 C VAL A 65 0.048 -4.116 -4.948 1.00 0.00 C ATOM 805 O VAL A 65 -0.037 -4.203 -6.170 1.00 0.00 O ATOM 806 CB VAL A 65 2.495 -4.362 -4.345 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.162 -4.127 -2.990 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.402 -5.159 -5.281 1.00 0.00 C ATOM 0 H VAL A 65 1.638 -6.713 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 65 0.809 -4.771 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 65 2.356 -3.421 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.168 -3.735 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.576 -3.409 -2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.218 -5.069 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.374 -4.670 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.530 -6.169 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.950 -5.208 -6.272 1.00 0.00 H new ATOM 818 N TYR A 66 -0.708 -3.330 -4.194 1.00 0.00 N ATOM 819 CA TYR A 66 -1.787 -2.474 -4.728 1.00 0.00 C ATOM 820 C TYR A 66 -1.687 -1.021 -4.259 1.00 0.00 C ATOM 821 O TYR A 66 -0.986 -0.708 -3.297 1.00 0.00 O ATOM 822 CB TYR A 66 -3.141 -2.990 -4.255 1.00 0.00 C ATOM 823 CG TYR A 66 -3.448 -4.394 -4.766 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.562 -4.619 -6.155 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.300 -5.444 -3.847 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.508 -5.931 -6.652 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.231 -6.757 -4.343 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.346 -6.982 -5.732 1.00 0.00 C ATOM 829 OH TYR A 66 -3.387 -8.261 -6.168 1.00 0.00 O ATOM 0 H TYR A 66 -0.597 -3.260 -3.182 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.684 -2.509 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.164 -2.991 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.922 -2.307 -4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.690 -3.787 -6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.241 -5.248 -2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.589 -6.127 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.091 -7.587 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.061 -8.303 -7.091 1.00 0.00 H new ATOM 839 N LYS A 67 -2.510 -0.204 -4.911 1.00 0.00 N ATOM 840 CA LYS A 67 -2.698 1.219 -4.580 1.00 0.00 C ATOM 841 C LYS A 67 -4.098 1.717 -4.921 1.00 0.00 C ATOM 842 O LYS A 67 -4.733 1.245 -5.871 1.00 0.00 O ATOM 843 CB LYS A 67 -1.680 2.161 -5.251 1.00 0.00 C ATOM 844 CG LYS A 67 -1.558 2.000 -6.769 1.00 0.00 C ATOM 845 CD LYS A 67 -0.574 0.884 -7.158 1.00 0.00 C ATOM 846 CE LYS A 67 0.853 1.223 -6.716 1.00 0.00 C ATOM 847 NZ LYS A 67 1.736 0.132 -7.147 1.00 0.00 N ATOM 0 H LYS A 67 -3.079 -0.511 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.540 1.253 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.960 3.191 -5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.701 1.993 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.539 1.779 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.228 2.942 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.886 -0.055 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.597 0.735 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.173 2.168 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.898 1.344 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.713 0.341 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.427 -0.759 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.694 0.040 -8.182 1.00 0.00 H new ATOM 861 N LEU A 68 -4.645 2.474 -3.976 1.00 0.00 N ATOM 862 CA LEU A 68 -5.937 3.147 -4.206 1.00 0.00 C ATOM 863 C LEU A 68 -5.991 4.652 -3.954 1.00 0.00 C ATOM 864 O LEU A 68 -5.437 5.197 -2.999 1.00 0.00 O ATOM 865 CB LEU A 68 -7.130 2.475 -3.509 1.00 0.00 C ATOM 866 CG LEU A 68 -7.112 2.702 -1.999 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.533 2.848 -1.455 1.00 0.00 C ATOM 868 CD2 LEU A 68 -6.344 1.599 -1.278 1.00 0.00 C ATOM 0 H LEU A 68 -4.231 2.641 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.026 3.019 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.059 2.866 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.114 1.405 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.585 3.636 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.495 3.009 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.020 3.699 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.099 1.941 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.351 1.792 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.816 0.637 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.315 1.578 -1.636 1.00 0.00 H new ATOM 880 N ASN A 69 -6.937 5.197 -4.701 1.00 0.00 N ATOM 881 CA ASN A 69 -7.361 6.613 -4.679 1.00 0.00 C ATOM 882 C ASN A 69 -8.335 6.736 -3.520 1.00 0.00 C ATOM 883 O ASN A 69 -9.509 6.399 -3.631 1.00 0.00 O ATOM 884 CB ASN A 69 -8.071 6.935 -5.996 1.00 0.00 C ATOM 885 CG ASN A 69 -7.314 6.573 -7.283 1.00 0.00 C ATOM 886 OD1 ASN A 69 -6.273 5.926 -7.328 1.00 0.00 O ATOM 887 ND2 ASN A 69 -7.907 6.900 -8.405 1.00 0.00 N ATOM 0 H ASN A 69 -7.465 4.647 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.521 7.297 -4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.029 6.415 -6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.288 8.003 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.502 6.617 -9.297 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.773 7.438 -8.386 1.00 0.00 H new ATOM 894 N THR A 70 -7.805 7.176 -2.385 1.00 0.00 N ATOM 895 CA THR A 70 -8.630 7.287 -1.154 1.00 0.00 C ATOM 896 C THR A 70 -9.935 8.061 -1.323 1.00 0.00 C ATOM 897 O THR A 70 -11.000 7.587 -0.934 1.00 0.00 O ATOM 898 CB THR A 70 -7.820 7.921 -0.046 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.356 9.193 -0.494 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.698 6.991 0.435 1.00 0.00 C ATOM 0 H THR A 70 -6.831 7.460 -2.275 1.00 0.00 H new ATOM 0 HA THR A 70 -8.914 6.264 -0.906 1.00 0.00 H new ATOM 0 HB THR A 70 -8.444 8.081 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.535 9.076 -1.016 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.137 7.480 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.130 6.064 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.029 6.768 -0.396 1.00 0.00 H new ATOM 908 N ASP A 71 -9.866 9.159 -2.079 1.00 0.00 N ATOM 909 CA ASP A 71 -11.043 9.985 -2.433 1.00 0.00 C ATOM 910 C ASP A 71 -12.089 9.260 -3.287 1.00 0.00 C ATOM 911 O ASP A 71 -13.276 9.574 -3.229 1.00 0.00 O ATOM 912 CB ASP A 71 -10.681 11.318 -3.112 1.00 0.00 C ATOM 913 CG ASP A 71 -10.300 12.364 -2.062 1.00 0.00 C ATOM 914 OD1 ASP A 71 -9.124 12.323 -1.649 1.00 0.00 O ATOM 915 OD2 ASP A 71 -11.184 13.058 -1.528 1.00 0.00 O ATOM 0 H ASP A 71 -8.991 9.510 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.488 10.196 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.852 11.168 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.526 11.675 -3.701 1.00 0.00 H new ATOM 921 N GLU A 72 -11.629 8.251 -4.023 1.00 0.00 N ATOM 922 CA GLU A 72 -12.522 7.410 -4.847 1.00 0.00 C ATOM 923 C GLU A 72 -13.147 6.248 -4.040 1.00 0.00 C ATOM 924 O GLU A 72 -14.124 5.639 -4.473 1.00 0.00 O ATOM 925 CB GLU A 72 -11.756 6.887 -6.049 1.00 0.00 C ATOM 926 CG GLU A 72 -12.717 6.662 -7.224 1.00 0.00 C ATOM 927 CD GLU A 72 -12.022 6.032 -8.432 1.00 0.00 C ATOM 928 OE1 GLU A 72 -12.598 5.051 -8.946 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.946 6.555 -8.817 1.00 0.00 O ATOM 0 H GLU A 72 -10.645 7.988 -4.072 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.352 8.030 -5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.980 7.597 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.255 5.953 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.536 6.018 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.157 7.615 -7.518 1.00 0.00 H new ATOM 937 N ALA A 73 -12.491 5.881 -2.941 1.00 0.00 N ATOM 938 CA ALA A 73 -12.977 4.850 -2.006 1.00 0.00 C ATOM 939 C ALA A 73 -12.977 5.363 -0.544 1.00 0.00 C ATOM 940 O ALA A 73 -12.236 4.878 0.309 1.00 0.00 O ATOM 941 CB ALA A 73 -12.152 3.577 -2.182 1.00 0.00 C ATOM 0 H ALA A 73 -11.598 6.290 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.016 4.615 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.510 2.813 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.253 3.217 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.104 3.791 -1.975 1.00 0.00 H new ATOM 947 N PRO A 74 -13.958 6.225 -0.219 1.00 0.00 N ATOM 948 CA PRO A 74 -14.113 6.820 1.127 1.00 0.00 C ATOM 949 C PRO A 74 -14.332 5.779 2.248 1.00 0.00 C ATOM 950 O PRO A 74 -13.568 5.752 3.207 1.00 0.00 O ATOM 951 CB PRO A 74 -15.314 7.766 1.047 1.00 0.00 C ATOM 952 CG PRO A 74 -15.799 7.775 -0.401 1.00 0.00 C ATOM 953 CD PRO A 74 -14.998 6.711 -1.154 1.00 0.00 C ATOM 0 HA PRO A 74 -13.190 7.335 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.109 7.433 1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -15.032 8.770 1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.866 7.559 -0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.651 8.757 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.644 5.894 -1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.546 7.130 -2.053 1.00 0.00 H new ATOM 961 N GLY A 75 -15.072 4.751 1.859 1.00 0.00 N ATOM 962 CA GLY A 75 -15.484 3.580 2.659 1.00 0.00 C ATOM 963 C GLY A 75 -14.309 2.723 3.166 1.00 0.00 C ATOM 964 O GLY A 75 -14.302 2.298 4.315 1.00 0.00 O ATOM 0 H GLY A 75 -15.433 4.699 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.065 3.924 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.143 2.955 2.056 1.00 0.00 H new ATOM 968 N ILE A 76 -13.290 2.534 2.325 1.00 0.00 N ATOM 969 CA ILE A 76 -12.081 1.785 2.698 1.00 0.00 C ATOM 970 C ILE A 76 -11.307 2.523 3.808 1.00 0.00 C ATOM 971 O ILE A 76 -11.139 1.998 4.904 1.00 0.00 O ATOM 972 CB ILE A 76 -11.274 1.543 1.411 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.068 0.729 0.377 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.889 0.921 1.668 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.591 -0.636 0.852 1.00 0.00 C ATOM 0 H ILE A 76 -13.276 2.893 1.370 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.320 0.814 3.131 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.093 2.532 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.918 1.327 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.434 0.569 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.373 0.777 0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.303 1.587 2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.009 -0.041 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.135 -1.120 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.751 -1.264 1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.258 -0.494 1.702 1.00 0.00 H new ATOM 987 N ALA A 77 -11.096 3.816 3.577 1.00 0.00 N ATOM 988 CA ALA A 77 -10.415 4.687 4.558 1.00 0.00 C ATOM 989 C ALA A 77 -11.183 4.818 5.879 1.00 0.00 C ATOM 990 O ALA A 77 -10.557 4.899 6.939 1.00 0.00 O ATOM 991 CB ALA A 77 -10.141 6.054 3.935 1.00 0.00 C ATOM 0 H ALA A 77 -11.383 4.293 2.722 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.467 4.213 4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.639 6.692 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.505 5.933 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.084 6.514 3.639 1.00 0.00 H new ATOM 997 N THR A 78 -12.514 4.725 5.813 1.00 0.00 N ATOM 998 CA THR A 78 -13.393 4.623 6.997 1.00 0.00 C ATOM 999 C THR A 78 -13.091 3.339 7.770 1.00 0.00 C ATOM 1000 O THR A 78 -12.663 3.360 8.928 1.00 0.00 O ATOM 1001 CB THR A 78 -14.812 4.486 6.464 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.119 5.575 5.594 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.916 4.333 7.505 1.00 0.00 C ATOM 0 H THR A 78 -13.024 4.718 4.930 1.00 0.00 H new ATOM 0 HA THR A 78 -13.252 5.488 7.645 1.00 0.00 H new ATOM 0 HB THR A 78 -14.804 3.536 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.648 5.456 4.743 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.880 4.244 7.003 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.733 3.438 8.100 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.925 5.207 8.157 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.271 2.229 7.041 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.191 0.850 7.526 1.00 0.00 C ATOM 1013 C GLN A 79 -11.836 0.529 8.172 1.00 0.00 C ATOM 1014 O GLN A 79 -11.786 -0.186 9.175 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.369 -0.107 6.342 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.684 -1.551 6.743 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.022 -1.682 7.481 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.100 -1.703 6.891 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.967 -1.704 8.793 1.00 0.00 N ATOM 0 H GLN A 79 -13.488 2.275 6.045 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.973 0.731 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.172 0.265 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.459 -0.099 5.743 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.704 -2.176 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.884 -1.930 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.063 -1.686 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.828 -1.739 9.339 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.788 1.085 7.581 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.401 0.861 8.039 1.00 0.00 C ATOM 1030 C TYR A 80 -8.820 2.015 8.856 1.00 0.00 C ATOM 1031 O TYR A 80 -7.669 1.952 9.285 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.513 0.559 6.829 1.00 0.00 C ATOM 1033 CG TYR A 80 -8.990 -0.712 6.109 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.039 -1.949 6.789 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.682 -0.504 4.895 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -9.854 -2.979 6.276 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.496 -1.525 4.385 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.573 -2.743 5.080 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.223 -3.775 4.483 1.00 0.00 O ATOM 0 H TYR A 80 -10.862 1.703 6.773 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.427 0.009 8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.531 1.402 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.480 0.434 7.152 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.461 -2.104 7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.585 0.432 4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.928 -3.928 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.055 -1.377 3.473 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.929 -3.424 3.901 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.694 2.977 9.169 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.347 4.173 9.939 1.00 0.00 C ATOM 1051 C ASN A 81 -8.057 4.875 9.525 1.00 0.00 C ATOM 1052 O ASN A 81 -7.131 5.110 10.307 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.256 3.699 11.363 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.370 4.335 12.035 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -10.378 5.485 12.057 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -9.952 4.948 12.895 1.00 0.00 N ATOM 0 H ASN A 81 -10.675 2.945 8.890 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.107 4.936 9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.325 2.613 11.424 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.306 3.984 11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.987 5.967 12.859 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.542 4.480 13.703 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.015 5.212 8.248 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.802 5.836 7.681 1.00 0.00 C ATOM 1065 C ILE A 82 -7.073 7.269 7.223 1.00 0.00 C ATOM 1066 O ILE A 82 -8.106 7.585 6.624 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.113 4.938 6.637 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.735 4.984 5.247 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -5.941 3.475 7.064 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.050 6.108 4.460 1.00 0.00 C ATOM 0 H ILE A 82 -8.779 5.074 7.587 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.063 5.927 8.477 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.123 5.391 6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.605 4.028 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.808 5.165 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.447 2.919 6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.334 3.429 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.919 3.036 7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.477 6.163 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.204 7.057 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.982 5.903 4.388 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.226 8.115 7.782 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.132 9.530 7.374 1.00 0.00 C ATOM 1084 C ARG A 83 -4.702 9.888 6.958 1.00 0.00 C ATOM 1085 O ARG A 83 -4.478 10.752 6.108 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.531 10.462 8.528 1.00 0.00 C ATOM 1087 CG ARG A 83 -7.803 10.050 9.275 1.00 0.00 C ATOM 1088 CD ARG A 83 -7.490 9.593 10.704 1.00 0.00 C ATOM 1089 NE ARG A 83 -6.769 8.308 10.718 1.00 0.00 N ATOM 1090 CZ ARG A 83 -5.453 8.128 10.823 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -4.557 9.104 10.870 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -4.959 6.908 10.723 1.00 0.00 N ATOM 0 H ARG A 83 -5.582 7.855 8.529 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.811 9.662 6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.707 10.509 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.668 11.469 8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.498 10.889 9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.299 9.244 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.891 10.352 11.206 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.418 9.496 11.267 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.339 7.466 10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.860 10.077 10.825 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.565 8.882 10.951 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.583 6.116 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.953 6.757 10.802 1.00 0.00 H new ATOM 1106 N SER A 84 -3.724 9.189 7.548 1.00 0.00 N ATOM 1107 CA SER A 84 -2.303 9.519 7.373 1.00 0.00 C ATOM 1108 C SER A 84 -1.622 8.834 6.188 1.00 0.00 C ATOM 1109 O SER A 84 -0.976 7.785 6.269 1.00 0.00 O ATOM 1110 CB SER A 84 -1.511 9.331 8.666 1.00 0.00 C ATOM 1111 OG SER A 84 -1.684 7.998 9.147 1.00 0.00 O ATOM 0 H SER A 84 -3.892 8.386 8.154 1.00 0.00 H new ATOM 0 HA SER A 84 -2.299 10.579 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.454 9.529 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.848 10.045 9.417 1.00 0.00 H new ATOM 0 HG SER A 84 -0.857 7.696 9.577 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.864 9.491 5.067 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.301 9.175 3.753 1.00 0.00 C ATOM 1119 C ILE A 85 0.174 9.659 3.715 1.00 0.00 C ATOM 1120 O ILE A 85 0.409 10.840 3.979 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.227 9.813 2.693 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.396 8.871 2.392 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.560 10.149 1.359 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -4.682 9.194 3.144 1.00 0.00 C ATOM 0 H ILE A 85 -2.487 10.298 5.040 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.262 8.107 3.540 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.544 10.755 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.600 8.897 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.095 7.852 2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.295 10.591 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.748 10.857 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.161 9.238 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.455 8.476 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.500 9.138 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.012 10.200 2.884 1.00 0.00 H new ATOM 1136 N PRO A 86 1.098 8.799 3.239 1.00 0.00 N ATOM 1137 CA PRO A 86 0.848 7.428 2.756 1.00 0.00 C ATOM 1138 C PRO A 86 0.722 6.374 3.862 1.00 0.00 C ATOM 1139 O PRO A 86 1.591 6.181 4.707 1.00 0.00 O ATOM 1140 CB PRO A 86 2.031 7.069 1.855 1.00 0.00 C ATOM 1141 CG PRO A 86 2.833 8.366 1.702 1.00 0.00 C ATOM 1142 CD PRO A 86 2.454 9.227 2.902 1.00 0.00 C ATOM 0 HA PRO A 86 -0.113 7.420 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.639 6.281 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.690 6.701 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.904 8.165 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.590 8.869 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.139 9.071 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.487 10.288 2.656 1.00 0.00 H new ATOM 1150 N THR A 87 -0.390 5.649 3.791 1.00 0.00 N ATOM 1151 CA THR A 87 -0.645 4.527 4.710 1.00 0.00 C ATOM 1152 C THR A 87 -0.425 3.247 3.911 1.00 0.00 C ATOM 1153 O THR A 87 -0.801 3.143 2.742 1.00 0.00 O ATOM 1154 CB THR A 87 -2.088 4.528 5.224 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.556 5.876 5.293 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.155 3.856 6.599 1.00 0.00 C ATOM 0 H THR A 87 -1.132 5.812 3.111 1.00 0.00 H new ATOM 0 HA THR A 87 0.017 4.608 5.572 1.00 0.00 H new ATOM 0 HB THR A 87 -2.725 3.965 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.868 6.440 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.185 3.861 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.804 2.827 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.524 4.401 7.301 1.00 0.00 H new ATOM 1164 N VAL A 88 0.232 2.316 4.566 1.00 0.00 N ATOM 1165 CA VAL A 88 0.471 0.979 3.990 1.00 0.00 C ATOM 1166 C VAL A 88 -0.014 -0.108 4.950 1.00 0.00 C ATOM 1167 O VAL A 88 0.220 -0.047 6.160 1.00 0.00 O ATOM 1168 CB VAL A 88 1.921 0.867 3.470 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.977 1.109 4.542 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.160 -0.448 2.738 1.00 0.00 C ATOM 0 H VAL A 88 0.618 2.445 5.501 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.132 0.818 3.096 1.00 0.00 H new ATOM 0 HB VAL A 88 2.035 1.678 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.970 1.014 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.856 2.112 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.861 0.375 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.192 -0.487 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.975 -1.281 3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.485 -0.518 1.885 1.00 0.00 H new ATOM 1180 N LEU A 89 -0.926 -0.917 4.427 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.603 -2.001 5.164 1.00 0.00 C ATOM 1182 C LEU A 89 -1.168 -3.402 4.712 1.00 0.00 C ATOM 1183 O LEU A 89 -1.004 -3.661 3.519 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.122 -1.875 4.976 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.841 -1.113 6.092 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.360 0.326 6.280 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.331 -1.082 5.752 1.00 0.00 C ATOM 0 H LEU A 89 -1.230 -0.844 3.456 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.321 -1.891 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.317 -1.374 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.550 -2.875 4.902 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.627 -1.635 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.920 0.794 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.298 0.325 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.518 0.886 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.871 -0.544 6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.476 -0.578 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.710 -2.102 5.686 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.136 -4.297 5.699 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.619 -5.671 5.543 1.00 0.00 C ATOM 1201 C PHE A 90 -1.649 -6.683 6.061 1.00 0.00 C ATOM 1202 O PHE A 90 -2.091 -6.680 7.225 1.00 0.00 O ATOM 1203 CB PHE A 90 0.708 -5.866 6.283 1.00 0.00 C ATOM 1204 CG PHE A 90 1.769 -4.819 5.985 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.710 -3.569 6.643 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.715 -5.070 4.964 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.574 -2.532 6.243 1.00 0.00 C ATOM 1208 CE2 PHE A 90 3.598 -4.038 4.586 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.499 -2.780 5.213 1.00 0.00 C ATOM 0 H PHE A 90 -1.470 -4.094 6.641 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.441 -5.836 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.512 -5.868 7.355 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.107 -6.848 6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.007 -3.411 7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.760 -6.036 4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.527 -1.563 6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.343 -4.210 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.153 -1.982 4.893 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.059 -7.454 5.077 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.136 -8.458 5.107 1.00 0.00 C ATOM 1221 C PHE A 91 -2.602 -9.858 4.825 1.00 0.00 C ATOM 1222 O PHE A 91 -1.649 -10.052 4.076 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.081 -8.145 3.945 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.858 -6.860 4.150 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.345 -5.637 3.676 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.184 -6.971 4.632 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.177 -4.502 3.679 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.017 -5.837 4.635 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.496 -4.613 4.155 1.00 0.00 C ATOM 0 H PHE A 91 -1.623 -7.402 4.157 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.608 -8.426 6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.504 -8.072 3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.781 -8.971 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.329 -5.571 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.554 -7.919 4.995 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.806 -3.554 3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.033 -5.900 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.129 -3.738 4.154 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.402 -10.785 5.319 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.313 -12.199 4.914 1.00 0.00 C ATOM 1241 C LYS A 92 -4.697 -12.696 4.488 1.00 0.00 C ATOM 1242 O LYS A 92 -5.495 -13.220 5.265 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.668 -13.069 5.979 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.104 -14.262 5.218 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.120 -15.036 6.077 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.572 -16.241 5.327 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.695 -15.765 4.772 1.00 0.00 N ATOM 0 H LYS A 92 -4.130 -10.594 6.007 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.648 -12.276 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.882 -12.530 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.396 -13.385 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.917 -14.918 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.608 -13.918 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.299 -14.383 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.612 -15.366 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.422 -17.091 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.254 -16.567 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.829 -16.164 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.680 -14.727 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.478 -16.065 5.387 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.006 -12.159 3.315 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.244 -12.368 2.534 1.00 0.00 C ATOM 1263 C ASN A 93 -7.481 -11.911 3.318 1.00 0.00 C ATOM 1264 O ASN A 93 -8.171 -12.681 3.970 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.326 -13.836 2.086 1.00 0.00 C ATOM 1266 CG ASN A 93 -7.390 -14.078 1.020 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -7.188 -13.889 -0.175 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -8.566 -14.418 1.480 1.00 0.00 N ATOM 0 H ASN A 93 -4.364 -11.522 2.843 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.217 -11.749 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.355 -14.146 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.539 -14.463 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.351 -14.534 0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.699 -14.567 2.480 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.686 -10.603 3.211 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.753 -9.862 3.909 1.00 0.00 C ATOM 1277 C GLY A 94 -8.570 -9.632 5.415 1.00 0.00 C ATOM 1278 O GLY A 94 -9.202 -8.745 5.985 1.00 0.00 O ATOM 0 H GLY A 94 -7.105 -10.005 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.861 -8.890 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.691 -10.397 3.759 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.507 -10.213 5.951 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.267 -10.260 7.394 1.00 0.00 C ATOM 1284 C GLU A 95 -6.120 -9.311 7.716 1.00 0.00 C ATOM 1285 O GLU A 95 -4.950 -9.615 7.462 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.848 -11.680 7.798 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.025 -12.647 7.723 1.00 0.00 C ATOM 1288 CD GLU A 95 -7.626 -14.040 8.203 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -8.046 -14.388 9.329 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -7.062 -14.804 7.389 1.00 0.00 O ATOM 0 H GLU A 95 -6.781 -10.669 5.399 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.172 -9.976 7.931 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.048 -12.026 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.448 -11.669 8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.847 -12.271 8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.388 -12.703 6.697 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.532 -8.106 8.075 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.561 -7.050 8.370 1.00 0.00 C ATOM 1300 C ARG A 96 -4.926 -7.245 9.740 1.00 0.00 C ATOM 1301 O ARG A 96 -5.561 -7.191 10.798 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.205 -5.673 8.289 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.060 -4.676 8.120 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.420 -3.297 8.663 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.432 -3.356 10.128 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.441 -2.312 10.933 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -5.726 -1.078 10.557 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -5.362 -2.533 12.216 1.00 0.00 N ATOM 0 H ARG A 96 -7.510 -7.832 8.170 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.778 -7.115 7.615 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.898 -5.616 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.779 -5.458 9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.175 -5.049 8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.803 -4.594 7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.698 -2.556 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.396 -2.987 8.289 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.434 -4.280 10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.960 -0.883 9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.712 -0.321 11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.296 -3.489 12.566 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.366 -1.750 12.870 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.617 -7.402 9.631 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.727 -7.754 10.750 1.00 0.00 C ATOM 1324 C LYS A 97 -1.858 -6.567 11.176 1.00 0.00 C ATOM 1325 O LYS A 97 -1.834 -6.190 12.346 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.863 -8.923 10.302 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.800 -10.109 10.238 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.172 -11.229 9.455 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.860 -12.505 9.930 1.00 0.00 C ATOM 1330 NZ LYS A 97 -2.134 -13.617 9.333 1.00 0.00 N ATOM 0 H LYS A 97 -3.122 -7.288 8.746 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.322 -8.029 11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.409 -8.727 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.049 -9.102 11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.036 -10.449 11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.740 -9.813 9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.313 -11.084 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.097 -11.275 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.844 -12.572 11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.906 -12.517 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.809 -14.339 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.580 -13.275 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.494 -14.033 10.039 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.233 -5.959 10.181 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.310 -4.827 10.363 1.00 0.00 C ATOM 1346 C GLU A 98 -0.688 -3.617 9.516 1.00 0.00 C ATOM 1347 O GLU A 98 -1.222 -3.747 8.420 1.00 0.00 O ATOM 1348 CB GLU A 98 1.105 -5.261 9.979 1.00 0.00 C ATOM 1349 CG GLU A 98 2.020 -5.438 11.186 1.00 0.00 C ATOM 1350 CD GLU A 98 1.510 -6.555 12.094 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.309 -6.222 13.283 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.253 -7.663 11.575 1.00 0.00 O ATOM 0 H GLU A 98 -1.348 -6.235 9.206 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.367 -4.535 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.054 -6.200 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.537 -4.519 9.307 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.031 -5.669 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.075 -4.505 11.746 1.00 0.00 H new ATOM 1360 N SER A 99 -0.403 -2.457 10.078 1.00 0.00 N ATOM 1361 CA SER A 99 -0.643 -1.158 9.415 1.00 0.00 C ATOM 1362 C SER A 99 0.361 -0.088 9.833 1.00 0.00 C ATOM 1363 O SER A 99 0.638 0.142 11.008 1.00 0.00 O ATOM 1364 CB SER A 99 -2.050 -0.642 9.693 1.00 0.00 C ATOM 1365 OG SER A 99 -2.321 -0.744 11.086 1.00 0.00 O ATOM 0 H SER A 99 0.003 -2.373 11.010 1.00 0.00 H new ATOM 0 HA SER A 99 -0.522 -1.348 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.141 0.394 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.780 -1.219 9.125 1.00 0.00 H new ATOM 0 HG SER A 99 -3.225 -0.411 11.269 1.00 0.00 H new ATOM 1371 N ILE A 100 1.025 0.432 8.810 1.00 0.00 N ATOM 1372 CA ILE A 100 2.011 1.504 8.965 1.00 0.00 C ATOM 1373 C ILE A 100 1.355 2.807 8.491 1.00 0.00 C ATOM 1374 O ILE A 100 1.170 3.075 7.307 1.00 0.00 O ATOM 1375 CB ILE A 100 3.297 1.165 8.195 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.888 -0.212 8.546 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.343 2.268 8.334 1.00 0.00 C ATOM 1378 CD1 ILE A 100 4.153 -0.445 10.043 1.00 0.00 C ATOM 0 H ILE A 100 0.898 0.125 7.846 1.00 0.00 H new ATOM 0 HA ILE A 100 2.311 1.621 10.006 1.00 0.00 H new ATOM 0 HB ILE A 100 3.000 1.103 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.207 -0.984 8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.825 -0.337 8.003 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.238 1.993 7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.942 3.202 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.597 2.398 9.386 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.568 -1.442 10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.861 0.300 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.218 -0.358 10.596 1.00 0.00 H new ATOM 1390 N ILE A 101 0.912 3.524 9.511 1.00 0.00 N ATOM 1391 CA ILE A 101 0.155 4.789 9.403 1.00 0.00 C ATOM 1392 C ILE A 101 1.004 6.052 9.255 1.00 0.00 C ATOM 1393 O ILE A 101 0.777 7.062 9.929 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.849 4.911 10.574 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -0.654 4.012 11.795 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.255 4.660 10.042 1.00 0.00 C ATOM 1397 CD1 ILE A 101 0.574 4.363 12.632 1.00 0.00 C ATOM 0 H ILE A 101 1.069 3.242 10.479 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.385 4.726 8.458 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.672 5.920 10.947 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.541 4.074 12.425 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.571 2.977 11.463 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.973 4.743 10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.491 5.397 9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.308 3.660 9.612 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.644 3.681 13.479 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.470 4.272 12.019 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.486 5.387 12.996 1.00 0.00 H new ATOM 1409 N GLY A 102 1.725 6.044 8.149 1.00 0.00 N ATOM 1410 CA GLY A 102 2.706 7.086 7.798 1.00 0.00 C ATOM 1411 C GLY A 102 3.818 6.478 6.935 1.00 0.00 C ATOM 1412 O GLY A 102 4.020 5.265 6.922 1.00 0.00 O ATOM 0 H GLY A 102 1.653 5.306 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.214 7.895 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.131 7.519 8.704 1.00 0.00 H new ATOM 1416 N ALA A 103 4.553 7.360 6.273 1.00 0.00 N ATOM 1417 CA ALA A 103 5.650 6.967 5.357 1.00 0.00 C ATOM 1418 C ALA A 103 6.968 6.768 6.117 1.00 0.00 C ATOM 1419 O ALA A 103 7.963 7.471 5.976 1.00 0.00 O ATOM 1420 CB ALA A 103 5.775 8.028 4.266 1.00 0.00 C ATOM 0 H ALA A 103 4.418 8.368 6.345 1.00 0.00 H new ATOM 0 HA ALA A 103 5.418 6.007 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.579 7.754 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.837 8.095 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.999 8.993 4.721 1.00 0.00 H new ATOM 1426 N VAL A 104 6.990 5.638 6.804 1.00 0.00 N ATOM 1427 CA VAL A 104 8.097 5.230 7.689 1.00 0.00 C ATOM 1428 C VAL A 104 9.118 4.442 6.832 1.00 0.00 C ATOM 1429 O VAL A 104 8.711 3.775 5.883 1.00 0.00 O ATOM 1430 CB VAL A 104 7.491 4.397 8.838 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.552 3.825 9.788 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.513 5.241 9.660 1.00 0.00 C ATOM 0 H VAL A 104 6.231 4.958 6.770 1.00 0.00 H new ATOM 0 HA VAL A 104 8.625 6.073 8.135 1.00 0.00 H new ATOM 0 HB VAL A 104 6.975 3.564 8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.064 3.249 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.228 3.177 9.230 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.119 4.642 10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.097 4.635 10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.038 6.097 10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.706 5.593 9.017 1.00 0.00 H new ATOM 1442 N PRO A 105 10.414 4.597 7.102 1.00 0.00 N ATOM 1443 CA PRO A 105 11.483 3.839 6.437 1.00 0.00 C ATOM 1444 C PRO A 105 11.286 2.319 6.430 1.00 0.00 C ATOM 1445 O PRO A 105 10.840 1.699 7.391 1.00 0.00 O ATOM 1446 CB PRO A 105 12.787 4.258 7.121 1.00 0.00 C ATOM 1447 CG PRO A 105 12.359 5.114 8.308 1.00 0.00 C ATOM 1448 CD PRO A 105 11.024 5.699 7.867 1.00 0.00 C ATOM 0 HA PRO A 105 11.488 4.079 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.357 3.388 7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.426 4.820 6.440 1.00 0.00 H new ATOM 0 HG2 PRO A 105 12.255 4.518 9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 105 13.088 5.896 8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 105 10.409 5.987 8.719 1.00 0.00 H new ATOM 0 HD3 PRO A 105 11.157 6.590 7.254 1.00 0.00 H new ATOM 1456 N LYS A 106 11.984 1.803 5.418 1.00 0.00 N ATOM 1457 CA LYS A 106 12.005 0.411 4.916 1.00 0.00 C ATOM 1458 C LYS A 106 11.789 -0.705 5.950 1.00 0.00 C ATOM 1459 O LYS A 106 10.748 -1.338 5.961 1.00 0.00 O ATOM 1460 CB LYS A 106 13.331 0.242 4.154 1.00 0.00 C ATOM 1461 CG LYS A 106 13.485 -1.119 3.470 1.00 0.00 C ATOM 1462 CD LYS A 106 12.503 -1.318 2.319 1.00 0.00 C ATOM 1463 CE LYS A 106 12.867 -0.468 1.097 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.100 -0.978 0.477 1.00 0.00 N ATOM 0 H LYS A 106 12.610 2.396 4.873 1.00 0.00 H new ATOM 0 HA LYS A 106 11.131 0.282 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.409 1.027 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.159 0.384 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.503 -1.218 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.339 -1.909 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.486 -2.370 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.498 -1.061 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.052 -0.488 0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.003 0.572 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.212 -0.560 -0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.917 -0.722 1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.044 -2.013 0.393 1.00 0.00 H new ATOM 1478 N SER A 107 12.673 -0.712 6.933 1.00 0.00 N ATOM 1479 CA SER A 107 12.767 -1.745 7.980 1.00 0.00 C ATOM 1480 C SER A 107 11.491 -2.106 8.730 1.00 0.00 C ATOM 1481 O SER A 107 11.122 -3.279 8.765 1.00 0.00 O ATOM 1482 CB SER A 107 13.873 -1.324 8.962 1.00 0.00 C ATOM 1483 OG SER A 107 13.720 0.062 9.268 1.00 0.00 O ATOM 0 H SER A 107 13.374 0.021 7.038 1.00 0.00 H new ATOM 0 HA SER A 107 12.996 -2.671 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.814 -1.919 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.854 -1.507 8.525 1.00 0.00 H new ATOM 0 HG SER A 107 14.421 0.338 9.895 1.00 0.00 H new ATOM 1489 N THR A 108 10.744 -1.105 9.172 1.00 0.00 N ATOM 1490 CA THR A 108 9.450 -1.307 9.843 1.00 0.00 C ATOM 1491 C THR A 108 8.399 -2.011 8.985 1.00 0.00 C ATOM 1492 O THR A 108 7.754 -2.969 9.395 1.00 0.00 O ATOM 1493 CB THR A 108 8.988 0.089 10.277 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.048 0.624 11.059 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.695 0.084 11.088 1.00 0.00 C ATOM 0 H THR A 108 11.011 -0.125 9.080 1.00 0.00 H new ATOM 0 HA THR A 108 9.576 -1.983 10.689 1.00 0.00 H new ATOM 0 HB THR A 108 8.766 0.685 9.392 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.807 1.523 11.365 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.431 1.106 11.359 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.893 -0.352 10.492 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.836 -0.506 11.993 1.00 0.00 H new ATOM 1503 N LEU A 109 8.297 -1.534 7.756 1.00 0.00 N ATOM 1504 CA LEU A 109 7.437 -2.096 6.707 1.00 0.00 C ATOM 1505 C LEU A 109 7.793 -3.542 6.390 1.00 0.00 C ATOM 1506 O LEU A 109 6.914 -4.407 6.395 1.00 0.00 O ATOM 1507 CB LEU A 109 7.584 -1.283 5.419 1.00 0.00 C ATOM 1508 CG LEU A 109 6.766 -0.006 5.524 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.495 1.115 6.262 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.447 0.479 4.107 1.00 0.00 C ATOM 0 H LEU A 109 8.824 -0.719 7.442 1.00 0.00 H new ATOM 0 HA LEU A 109 6.414 -2.056 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.633 -1.041 5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.249 -1.872 4.565 1.00 0.00 H new ATOM 0 HG LEU A 109 5.867 -0.241 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.858 1.998 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.730 0.790 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.418 1.357 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.860 1.396 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.376 0.674 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.878 -0.287 3.580 1.00 0.00 H new ATOM 1522 N THR A 110 9.093 -3.817 6.365 1.00 0.00 N ATOM 1523 CA THR A 110 9.620 -5.149 6.052 1.00 0.00 C ATOM 1524 C THR A 110 9.306 -6.162 7.153 1.00 0.00 C ATOM 1525 O THR A 110 8.643 -7.169 6.944 1.00 0.00 O ATOM 1526 CB THR A 110 11.106 -5.045 5.767 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.327 -3.925 4.915 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.520 -6.269 4.992 1.00 0.00 C ATOM 0 H THR A 110 9.816 -3.124 6.561 1.00 0.00 H new ATOM 0 HA THR A 110 9.123 -5.526 5.158 1.00 0.00 H new ATOM 0 HB THR A 110 11.661 -4.949 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.244 -3.098 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.587 -6.218 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.312 -7.161 5.583 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.961 -6.314 4.058 1.00 0.00 H new ATOM 1536 N ASP A 111 9.536 -5.650 8.357 1.00 0.00 N ATOM 1537 CA ASP A 111 9.201 -6.307 9.628 1.00 0.00 C ATOM 1538 C ASP A 111 7.726 -6.735 9.641 1.00 0.00 C ATOM 1539 O ASP A 111 7.417 -7.926 9.701 1.00 0.00 O ATOM 1540 CB ASP A 111 9.472 -5.223 10.673 1.00 0.00 C ATOM 1541 CG ASP A 111 9.486 -5.740 12.123 1.00 0.00 C ATOM 1542 OD1 ASP A 111 10.013 -5.002 12.990 1.00 0.00 O ATOM 1543 OD2 ASP A 111 8.889 -6.798 12.403 1.00 0.00 O ATOM 0 H ASP A 111 9.974 -4.738 8.486 1.00 0.00 H new ATOM 0 HA ASP A 111 9.776 -7.215 9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.432 -4.755 10.456 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.712 -4.447 10.582 1.00 0.00 H new ATOM 1549 N SER A 112 6.898 -5.755 9.245 1.00 0.00 N ATOM 1550 CA SER A 112 5.427 -5.862 9.133 1.00 0.00 C ATOM 1551 C SER A 112 4.865 -6.911 8.194 1.00 0.00 C ATOM 1552 O SER A 112 3.706 -7.276 8.369 1.00 0.00 O ATOM 1553 CB SER A 112 4.808 -4.510 8.759 1.00 0.00 C ATOM 1554 OG SER A 112 4.910 -3.615 9.872 1.00 0.00 O ATOM 0 H SER A 112 7.243 -4.831 8.984 1.00 0.00 H new ATOM 0 HA SER A 112 5.148 -6.195 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.320 -4.090 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.763 -4.641 8.479 1.00 0.00 H new ATOM 0 HG SER A 112 5.816 -3.243 9.911 1.00 0.00 H new ATOM 1560 N ILE A 113 5.616 -7.305 7.168 1.00 0.00 N ATOM 1561 CA ILE A 113 5.143 -8.443 6.344 1.00 0.00 C ATOM 1562 C ILE A 113 5.544 -9.796 6.926 1.00 0.00 C ATOM 1563 O ILE A 113 4.744 -10.689 7.203 1.00 0.00 O ATOM 1564 CB ILE A 113 5.533 -8.595 4.871 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.830 -7.946 4.411 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.315 -8.329 4.004 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.738 -6.445 4.232 1.00 0.00 C ATOM 0 H ILE A 113 6.505 -6.890 6.888 1.00 0.00 H new ATOM 0 HA ILE A 113 4.089 -8.168 6.375 1.00 0.00 H new ATOM 0 HB ILE A 113 5.836 -9.634 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.613 -8.168 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.134 -8.396 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.586 -8.436 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.530 -9.044 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.954 -7.317 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.702 -6.058 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.980 -6.214 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.465 -5.982 5.180 1.00 0.00 H new ATOM 1579 N GLU A 114 6.866 -9.861 7.119 1.00 0.00 N ATOM 1580 CA GLU A 114 7.638 -11.058 7.496 1.00 0.00 C ATOM 1581 C GLU A 114 7.125 -11.710 8.784 1.00 0.00 C ATOM 1582 O GLU A 114 7.084 -12.940 8.916 1.00 0.00 O ATOM 1583 CB GLU A 114 9.120 -10.655 7.551 1.00 0.00 C ATOM 1584 CG GLU A 114 9.501 -10.072 6.184 1.00 0.00 C ATOM 1585 CD GLU A 114 10.994 -9.732 6.149 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.361 -8.726 6.790 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.747 -10.541 5.563 1.00 0.00 O ATOM 0 H GLU A 114 7.460 -9.039 7.012 1.00 0.00 H new ATOM 0 HA GLU A 114 7.511 -11.840 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.287 -9.920 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.742 -11.519 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.266 -10.788 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.912 -9.176 5.986 1.00 0.00 H new ATOM 1595 N LYS A 115 6.592 -10.807 9.607 1.00 0.00 N ATOM 1596 CA LYS A 115 5.730 -10.979 10.786 1.00 0.00 C ATOM 1597 C LYS A 115 4.851 -12.239 10.721 1.00 0.00 C ATOM 1598 O LYS A 115 4.970 -13.153 11.526 1.00 0.00 O ATOM 1599 CB LYS A 115 4.860 -9.709 10.681 1.00 0.00 C ATOM 1600 CG LYS A 115 3.870 -9.522 11.830 1.00 0.00 C ATOM 1601 CD LYS A 115 4.549 -8.948 13.072 1.00 0.00 C ATOM 1602 CE LYS A 115 5.091 -7.543 12.803 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.761 -6.987 13.983 1.00 0.00 N ATOM 0 H LYS A 115 6.774 -9.816 9.447 1.00 0.00 H new ATOM 0 HA LYS A 115 6.289 -11.102 11.714 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.514 -8.838 10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.306 -9.740 9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.067 -8.856 11.514 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.412 -10.480 12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.837 -8.915 13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.364 -9.603 13.380 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.791 -7.576 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.272 -6.887 12.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.116 -6.034 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.086 -6.932 14.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.557 -7.600 14.251 1.00 0.00 H new ATOM 1617 N TYR A 116 3.994 -12.207 9.709 1.00 0.00 N ATOM 1618 CA TYR A 116 2.925 -13.182 9.448 1.00 0.00 C ATOM 1619 C TYR A 116 3.225 -14.183 8.306 1.00 0.00 C ATOM 1620 O TYR A 116 2.483 -15.152 8.132 1.00 0.00 O ATOM 1621 CB TYR A 116 1.621 -12.415 9.264 1.00 0.00 C ATOM 1622 CG TYR A 116 1.642 -11.426 8.098 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.482 -11.898 6.779 1.00 0.00 C ATOM 1624 CD2 TYR A 116 1.671 -10.052 8.421 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.357 -10.969 5.745 1.00 0.00 C ATOM 1626 CE2 TYR A 116 1.541 -9.121 7.379 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.373 -9.604 6.064 1.00 0.00 C ATOM 1628 OH TYR A 116 1.076 -8.728 5.081 1.00 0.00 O ATOM 0 H TYR A 116 4.021 -11.466 9.009 1.00 0.00 H new ATOM 0 HA TYR A 116 2.842 -13.841 10.312 1.00 0.00 H new ATOM 0 HB2 TYR A 116 0.811 -13.127 9.108 1.00 0.00 H new ATOM 0 HB3 TYR A 116 1.397 -11.873 10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.457 -12.958 6.573 1.00 0.00 H new ATOM 0 HD2 TYR A 116 1.790 -9.726 9.444 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.250 -11.295 4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 116 1.569 -8.060 7.579 1.00 0.00 H new ATOM 0 HH TYR A 116 0.229 -8.984 4.659 1.00 0.00 H new ATOM 1638 N LEU A 117 4.183 -13.835 7.448 1.00 0.00 N ATOM 1639 CA LEU A 117 4.795 -14.797 6.491 1.00 0.00 C ATOM 1640 C LEU A 117 5.399 -15.995 7.219 1.00 0.00 C ATOM 1641 O LEU A 117 5.590 -17.075 6.652 1.00 0.00 O ATOM 1642 CB LEU A 117 5.945 -14.119 5.725 1.00 0.00 C ATOM 1643 CG LEU A 117 5.590 -13.633 4.312 1.00 0.00 C ATOM 1644 CD1 LEU A 117 5.087 -14.779 3.433 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.573 -12.482 4.327 1.00 0.00 C ATOM 0 H LEU A 117 4.564 -12.891 7.385 1.00 0.00 H new ATOM 0 HA LEU A 117 4.003 -15.124 5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.296 -13.267 6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.776 -14.821 5.653 1.00 0.00 H new ATOM 0 HG LEU A 117 6.514 -13.248 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.846 -14.398 2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.862 -15.541 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.195 -15.216 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.356 -12.175 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.654 -12.815 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.987 -11.638 4.879 1.00 0.00 H new