USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 571 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 40 GLN : amide:sc= -2.33 K(o=-2.3,f=-0.48) USER MOD Set 1.2: A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.0428 (180deg=-0.4) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.184 (180deg=-0.248) USER MOD Single : A 2 SER OG : rot 6:sc= 1.35 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -123:sc= 1.29 (180deg=-0.105) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 17 GLN : amide:sc= -1.66 K(o=-1.7,f=-4!) USER MOD Single : A 18 ASN : amide:sc=-0.00881 K(o=-0.0088,f=-1.1!) USER MOD Single : A 19 MET CE :methyl -156:sc= -0.167 (180deg=-0.752) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0525) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.58 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0241 X(o=-0.024,f=-0.48) USER MOD Single : A 49 HIS : no HE2:sc= 0.989 K(o=0.99,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.54 X(o=-1.5,f=-2!) USER MOD Single : A 61 LYS NZ :NH3+ -125:sc= -1.69 (180deg=-3.92!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.790 -3.740 9.982 1.00 71.35 N ATOM 2 CA MET A 1 -8.917 -3.146 8.928 1.00 42.24 C ATOM 3 C MET A 1 -9.515 -3.302 7.517 1.00 72.13 C ATOM 4 O MET A 1 -9.026 -2.696 6.563 1.00 52.32 O ATOM 5 CB MET A 1 -7.516 -3.784 8.977 1.00 31.32 C ATOM 6 CG MET A 1 -7.515 -5.309 8.877 1.00 62.31 C ATOM 7 SD MET A 1 -8.145 -5.922 7.298 1.00 2.35 S ATOM 8 CE MET A 1 -6.893 -5.319 6.166 1.00 61.32 C ATOM 0 H1 MET A 1 -9.309 -3.687 10.902 1.00 71.35 H new ATOM 0 H2 MET A 1 -10.685 -3.213 10.029 1.00 71.35 H new ATOM 0 H3 MET A 1 -9.985 -4.735 9.751 1.00 71.35 H new ATOM 0 HA MET A 1 -8.843 -2.079 9.136 1.00 42.24 H new ATOM 0 HB2 MET A 1 -6.916 -3.378 8.163 1.00 31.32 H new ATOM 0 HB3 MET A 1 -7.029 -3.492 9.908 1.00 31.32 H new ATOM 0 HG2 MET A 1 -6.499 -5.675 9.021 1.00 62.31 H new ATOM 0 HG3 MET A 1 -8.120 -5.720 9.686 1.00 62.31 H new ATOM 0 HE1 MET A 1 -6.922 -5.904 5.247 1.00 61.32 H new ATOM 0 HE2 MET A 1 -7.085 -4.271 5.936 1.00 61.32 H new ATOM 0 HE3 MET A 1 -5.910 -5.415 6.626 1.00 61.32 H new ATOM 20 N SER A 2 -10.569 -4.103 7.383 1.00 10.23 N ATOM 21 CA SER A 2 -11.147 -4.404 6.066 1.00 64.25 C ATOM 22 C SER A 2 -12.071 -3.280 5.575 1.00 72.14 C ATOM 23 O SER A 2 -13.279 -3.298 5.813 1.00 71.15 O ATOM 24 CB SER A 2 -11.911 -5.737 6.105 1.00 40.00 C ATOM 25 OG SER A 2 -11.055 -6.810 6.477 1.00 22.21 O ATOM 0 H SER A 2 -11.042 -4.556 8.164 1.00 10.23 H new ATOM 0 HA SER A 2 -10.320 -4.485 5.360 1.00 64.25 H new ATOM 0 HB2 SER A 2 -12.737 -5.665 6.813 1.00 40.00 H new ATOM 0 HB3 SER A 2 -12.346 -5.938 5.126 1.00 40.00 H new ATOM 0 HG SER A 2 -10.173 -6.457 6.716 1.00 22.21 H new ATOM 31 N GLU A 3 -11.482 -2.291 4.911 1.00 3.51 N ATOM 32 CA GLU A 3 -12.240 -1.198 4.291 1.00 51.41 C ATOM 33 C GLU A 3 -12.261 -1.363 2.760 1.00 53.24 C ATOM 34 O GLU A 3 -11.309 -1.881 2.175 1.00 55.13 O ATOM 35 CB GLU A 3 -11.624 0.158 4.686 1.00 31.10 C ATOM 36 CG GLU A 3 -12.362 1.378 4.132 1.00 14.45 C ATOM 37 CD GLU A 3 -13.816 1.454 4.583 1.00 20.45 C ATOM 38 OE1 GLU A 3 -14.086 2.015 5.667 1.00 34.11 O ATOM 39 OE2 GLU A 3 -14.697 0.949 3.853 1.00 54.15 O ATOM 0 H GLU A 3 -10.472 -2.220 4.785 1.00 3.51 H new ATOM 0 HA GLU A 3 -13.269 -1.230 4.650 1.00 51.41 H new ATOM 0 HB2 GLU A 3 -11.599 0.228 5.773 1.00 31.10 H new ATOM 0 HB3 GLU A 3 -10.591 0.187 4.341 1.00 31.10 H new ATOM 0 HG2 GLU A 3 -11.843 2.283 4.447 1.00 14.45 H new ATOM 0 HG3 GLU A 3 -12.327 1.353 3.043 1.00 14.45 H new ATOM 46 N SER A 4 -13.338 -0.909 2.118 1.00 72.24 N ATOM 47 CA SER A 4 -13.534 -1.102 0.665 1.00 33.34 C ATOM 48 C SER A 4 -12.321 -0.640 -0.162 1.00 44.42 C ATOM 49 O SER A 4 -12.003 -1.227 -1.199 1.00 60.00 O ATOM 50 CB SER A 4 -14.790 -0.356 0.189 1.00 42.23 C ATOM 51 OG SER A 4 -15.057 -0.607 -1.186 1.00 11.24 O ATOM 0 H SER A 4 -14.095 -0.402 2.576 1.00 72.24 H new ATOM 0 HA SER A 4 -13.655 -2.174 0.507 1.00 33.34 H new ATOM 0 HB2 SER A 4 -15.646 -0.664 0.789 1.00 42.23 H new ATOM 0 HB3 SER A 4 -14.660 0.715 0.346 1.00 42.23 H new ATOM 0 HG SER A 4 -15.863 -0.119 -1.457 1.00 11.24 H new ATOM 57 N ILE A 5 -11.648 0.418 0.293 1.00 44.41 N ATOM 58 CA ILE A 5 -10.470 0.947 -0.408 1.00 71.41 C ATOM 59 C ILE A 5 -9.258 -0.004 -0.311 1.00 3.33 C ATOM 60 O ILE A 5 -8.436 -0.069 -1.227 1.00 2.42 O ATOM 61 CB ILE A 5 -10.070 2.345 0.134 1.00 60.30 C ATOM 62 CG1 ILE A 5 -8.978 2.982 -0.746 1.00 53.14 C ATOM 63 CG2 ILE A 5 -9.607 2.255 1.588 1.00 2.25 C ATOM 64 CD1 ILE A 5 -9.416 3.244 -2.175 1.00 54.24 C ATOM 0 H ILE A 5 -11.895 0.927 1.142 1.00 44.41 H new ATOM 0 HA ILE A 5 -10.754 1.036 -1.456 1.00 71.41 H new ATOM 0 HB ILE A 5 -10.952 2.984 0.098 1.00 60.30 H new ATOM 0 HG12 ILE A 5 -8.664 3.923 -0.294 1.00 53.14 H new ATOM 0 HG13 ILE A 5 -8.107 2.327 -0.758 1.00 53.14 H new ATOM 0 HG21 ILE A 5 -9.332 3.248 1.944 1.00 2.25 H new ATOM 0 HG22 ILE A 5 -10.415 1.859 2.203 1.00 2.25 H new ATOM 0 HG23 ILE A 5 -8.743 1.594 1.654 1.00 2.25 H new ATOM 0 HD11 ILE A 5 -8.593 3.693 -2.731 1.00 54.24 H new ATOM 0 HD12 ILE A 5 -9.702 2.304 -2.646 1.00 54.24 H new ATOM 0 HD13 ILE A 5 -10.268 3.924 -2.176 1.00 54.24 H new ATOM 76 N VAL A 6 -9.163 -0.751 0.792 1.00 12.21 N ATOM 77 CA VAL A 6 -8.033 -1.663 1.022 1.00 52.43 C ATOM 78 C VAL A 6 -7.900 -2.693 -0.112 1.00 52.21 C ATOM 79 O VAL A 6 -6.790 -3.044 -0.523 1.00 23.44 O ATOM 80 CB VAL A 6 -8.164 -2.397 2.384 1.00 44.10 C ATOM 81 CG1 VAL A 6 -6.999 -3.365 2.605 1.00 3.22 C ATOM 82 CG2 VAL A 6 -8.252 -1.388 3.532 1.00 1.14 C ATOM 0 H VAL A 6 -9.854 -0.744 1.542 1.00 12.21 H new ATOM 0 HA VAL A 6 -7.132 -1.049 1.042 1.00 52.43 H new ATOM 0 HB VAL A 6 -9.085 -2.980 2.364 1.00 44.10 H new ATOM 0 HG11 VAL A 6 -7.118 -3.864 3.567 1.00 3.22 H new ATOM 0 HG12 VAL A 6 -6.988 -4.109 1.809 1.00 3.22 H new ATOM 0 HG13 VAL A 6 -6.060 -2.812 2.597 1.00 3.22 H new ATOM 0 HG21 VAL A 6 -8.343 -1.921 4.479 1.00 1.14 H new ATOM 0 HG22 VAL A 6 -7.351 -0.774 3.547 1.00 1.14 H new ATOM 0 HG23 VAL A 6 -9.124 -0.750 3.389 1.00 1.14 H new ATOM 92 N THR A 7 -9.039 -3.158 -0.627 1.00 70.23 N ATOM 93 CA THR A 7 -9.055 -4.069 -1.779 1.00 62.14 C ATOM 94 C THR A 7 -8.271 -3.479 -2.961 1.00 42.14 C ATOM 95 O THR A 7 -7.425 -4.150 -3.562 1.00 71.42 O ATOM 96 CB THR A 7 -10.504 -4.376 -2.234 1.00 65.01 C ATOM 97 OG1 THR A 7 -11.273 -4.879 -1.128 1.00 50.14 O ATOM 98 CG2 THR A 7 -10.523 -5.393 -3.373 1.00 34.42 C ATOM 0 H THR A 7 -9.963 -2.921 -0.267 1.00 70.23 H new ATOM 0 HA THR A 7 -8.579 -4.996 -1.459 1.00 62.14 H new ATOM 0 HB THR A 7 -10.945 -3.447 -2.594 1.00 65.01 H new ATOM 0 HG1 THR A 7 -12.188 -5.068 -1.425 1.00 50.14 H new ATOM 0 HG21 THR A 7 -11.554 -5.588 -3.670 1.00 34.42 H new ATOM 0 HG22 THR A 7 -9.969 -4.997 -4.224 1.00 34.42 H new ATOM 0 HG23 THR A 7 -10.060 -6.322 -3.039 1.00 34.42 H new ATOM 106 N LYS A 8 -8.539 -2.207 -3.282 1.00 20.22 N ATOM 107 CA LYS A 8 -7.810 -1.523 -4.354 1.00 32.31 C ATOM 108 C LYS A 8 -6.335 -1.339 -3.977 1.00 12.43 C ATOM 109 O LYS A 8 -5.455 -1.509 -4.816 1.00 15.13 O ATOM 110 CB LYS A 8 -8.431 -0.156 -4.689 1.00 74.33 C ATOM 111 CG LYS A 8 -7.743 0.532 -5.872 1.00 30.34 C ATOM 112 CD LYS A 8 -8.292 1.930 -6.157 1.00 52.13 C ATOM 113 CE LYS A 8 -7.617 2.540 -7.385 1.00 71.45 C ATOM 114 NZ LYS A 8 -8.097 3.918 -7.673 1.00 54.52 N ATOM 0 H LYS A 8 -9.247 -1.637 -2.820 1.00 20.22 H new ATOM 0 HA LYS A 8 -7.881 -2.155 -5.239 1.00 32.31 H new ATOM 0 HB2 LYS A 8 -9.489 -0.288 -4.916 1.00 74.33 H new ATOM 0 HB3 LYS A 8 -8.371 0.490 -3.813 1.00 74.33 H new ATOM 0 HG2 LYS A 8 -6.674 0.602 -5.672 1.00 30.34 H new ATOM 0 HG3 LYS A 8 -7.861 -0.086 -6.762 1.00 30.34 H new ATOM 0 HD2 LYS A 8 -9.369 1.877 -6.318 1.00 52.13 H new ATOM 0 HD3 LYS A 8 -8.130 2.572 -5.291 1.00 52.13 H new ATOM 0 HE2 LYS A 8 -6.538 2.559 -7.231 1.00 71.45 H new ATOM 0 HE3 LYS A 8 -7.804 1.905 -8.251 1.00 71.45 H new ATOM 0 HZ1 LYS A 8 -8.476 3.958 -8.641 1.00 54.52 H new ATOM 0 HZ2 LYS A 8 -8.845 4.173 -6.997 1.00 54.52 H new ATOM 0 HZ3 LYS A 8 -7.306 4.587 -7.583 1.00 54.52 H new ATOM 128 N ILE A 9 -6.069 -0.996 -2.713 1.00 4.53 N ATOM 129 CA ILE A 9 -4.690 -0.818 -2.229 1.00 44.22 C ATOM 130 C ILE A 9 -3.828 -2.055 -2.530 1.00 64.54 C ATOM 131 O ILE A 9 -2.712 -1.938 -3.045 1.00 55.15 O ATOM 132 CB ILE A 9 -4.659 -0.520 -0.706 1.00 62.43 C ATOM 133 CG1 ILE A 9 -5.354 0.823 -0.409 1.00 32.42 C ATOM 134 CG2 ILE A 9 -3.224 -0.518 -0.176 1.00 0.13 C ATOM 135 CD1 ILE A 9 -5.386 1.190 1.061 1.00 45.31 C ATOM 0 H ILE A 9 -6.786 -0.836 -2.005 1.00 4.53 H new ATOM 0 HA ILE A 9 -4.275 0.038 -2.762 1.00 44.22 H new ATOM 0 HB ILE A 9 -5.203 -1.312 -0.192 1.00 62.43 H new ATOM 0 HG12 ILE A 9 -4.844 1.614 -0.959 1.00 32.42 H new ATOM 0 HG13 ILE A 9 -6.376 0.782 -0.785 1.00 32.42 H new ATOM 0 HG21 ILE A 9 -3.231 -0.307 0.893 1.00 0.13 H new ATOM 0 HG22 ILE A 9 -2.771 -1.494 -0.350 1.00 0.13 H new ATOM 0 HG23 ILE A 9 -2.646 0.248 -0.693 1.00 0.13 H new ATOM 0 HD11 ILE A 9 -5.891 2.148 1.186 1.00 45.31 H new ATOM 0 HD12 ILE A 9 -5.923 0.421 1.616 1.00 45.31 H new ATOM 0 HD13 ILE A 9 -4.367 1.266 1.439 1.00 45.31 H new ATOM 147 N ILE A 10 -4.355 -3.240 -2.221 1.00 72.33 N ATOM 148 CA ILE A 10 -3.665 -4.499 -2.534 1.00 42.12 C ATOM 149 C ILE A 10 -3.412 -4.626 -4.048 1.00 64.01 C ATOM 150 O ILE A 10 -2.320 -5.007 -4.479 1.00 11.31 O ATOM 151 CB ILE A 10 -4.475 -5.727 -2.039 1.00 24.35 C ATOM 152 CG1 ILE A 10 -4.718 -5.628 -0.522 1.00 32.35 C ATOM 153 CG2 ILE A 10 -3.749 -7.030 -2.385 1.00 75.04 C ATOM 154 CD1 ILE A 10 -5.549 -6.765 0.043 1.00 23.20 C ATOM 0 H ILE A 10 -5.255 -3.358 -1.755 1.00 72.33 H new ATOM 0 HA ILE A 10 -2.708 -4.480 -2.012 1.00 42.12 H new ATOM 0 HB ILE A 10 -5.440 -5.732 -2.546 1.00 24.35 H new ATOM 0 HG12 ILE A 10 -3.756 -5.605 -0.011 1.00 32.35 H new ATOM 0 HG13 ILE A 10 -5.217 -4.684 -0.305 1.00 32.35 H new ATOM 0 HG21 ILE A 10 -4.334 -7.878 -2.029 1.00 75.04 H new ATOM 0 HG22 ILE A 10 -3.626 -7.102 -3.466 1.00 75.04 H new ATOM 0 HG23 ILE A 10 -2.769 -7.039 -1.907 1.00 75.04 H new ATOM 0 HD11 ILE A 10 -5.676 -6.624 1.116 1.00 23.20 H new ATOM 0 HD12 ILE A 10 -6.526 -6.776 -0.440 1.00 23.20 H new ATOM 0 HD13 ILE A 10 -5.042 -7.712 -0.141 1.00 23.20 H new ATOM 166 N SER A 11 -4.424 -4.290 -4.849 1.00 11.14 N ATOM 167 CA SER A 11 -4.293 -4.292 -6.316 1.00 54.05 C ATOM 168 C SER A 11 -3.215 -3.303 -6.794 1.00 70.35 C ATOM 169 O SER A 11 -2.448 -3.605 -7.709 1.00 75.11 O ATOM 170 CB SER A 11 -5.637 -3.958 -6.977 1.00 61.32 C ATOM 171 OG SER A 11 -5.506 -3.856 -8.388 1.00 45.43 O ATOM 0 H SER A 11 -5.346 -4.012 -4.512 1.00 11.14 H new ATOM 0 HA SER A 11 -3.985 -5.295 -6.612 1.00 54.05 H new ATOM 0 HB2 SER A 11 -6.367 -4.729 -6.732 1.00 61.32 H new ATOM 0 HB3 SER A 11 -6.019 -3.019 -6.576 1.00 61.32 H new ATOM 0 HG SER A 11 -6.377 -3.644 -8.783 1.00 45.43 H new ATOM 177 N ILE A 12 -3.155 -2.130 -6.165 1.00 72.54 N ATOM 178 CA ILE A 12 -2.136 -1.122 -6.488 1.00 41.51 C ATOM 179 C ILE A 12 -0.727 -1.667 -6.216 1.00 21.21 C ATOM 180 O ILE A 12 0.188 -1.482 -7.021 1.00 15.12 O ATOM 181 CB ILE A 12 -2.346 0.183 -5.670 1.00 61.25 C ATOM 182 CG1 ILE A 12 -3.717 0.806 -5.990 1.00 51.55 C ATOM 183 CG2 ILE A 12 -1.223 1.187 -5.945 1.00 34.32 C ATOM 184 CD1 ILE A 12 -4.050 2.025 -5.151 1.00 32.10 C ATOM 0 H ILE A 12 -3.800 -1.850 -5.426 1.00 72.54 H new ATOM 0 HA ILE A 12 -2.239 -0.891 -7.548 1.00 41.51 H new ATOM 0 HB ILE A 12 -2.320 -0.073 -4.611 1.00 61.25 H new ATOM 0 HG12 ILE A 12 -3.741 1.085 -7.043 1.00 51.55 H new ATOM 0 HG13 ILE A 12 -4.491 0.053 -5.842 1.00 51.55 H new ATOM 0 HG21 ILE A 12 -1.393 2.092 -5.361 1.00 34.32 H new ATOM 0 HG22 ILE A 12 -0.266 0.748 -5.664 1.00 34.32 H new ATOM 0 HG23 ILE A 12 -1.210 1.437 -7.006 1.00 34.32 H new ATOM 0 HD11 ILE A 12 -5.031 2.406 -5.436 1.00 32.10 H new ATOM 0 HD12 ILE A 12 -4.060 1.749 -4.097 1.00 32.10 H new ATOM 0 HD13 ILE A 12 -3.299 2.797 -5.317 1.00 32.10 H new ATOM 196 N VAL A 13 -0.563 -2.345 -5.081 1.00 32.35 N ATOM 197 CA VAL A 13 0.714 -2.981 -4.736 1.00 52.33 C ATOM 198 C VAL A 13 1.125 -4.010 -5.805 1.00 35.10 C ATOM 199 O VAL A 13 2.262 -4.014 -6.276 1.00 64.14 O ATOM 200 CB VAL A 13 0.651 -3.674 -3.347 1.00 51.53 C ATOM 201 CG1 VAL A 13 1.975 -4.360 -3.008 1.00 44.31 C ATOM 202 CG2 VAL A 13 0.273 -2.669 -2.261 1.00 71.42 C ATOM 0 H VAL A 13 -1.296 -2.470 -4.383 1.00 32.35 H new ATOM 0 HA VAL A 13 1.462 -2.189 -4.695 1.00 52.33 H new ATOM 0 HB VAL A 13 -0.121 -4.442 -3.392 1.00 51.53 H new ATOM 0 HG11 VAL A 13 1.899 -4.835 -2.030 1.00 44.31 H new ATOM 0 HG12 VAL A 13 2.197 -5.115 -3.762 1.00 44.31 H new ATOM 0 HG13 VAL A 13 2.774 -3.619 -2.990 1.00 44.31 H new ATOM 0 HG21 VAL A 13 0.234 -3.174 -1.296 1.00 71.42 H new ATOM 0 HG22 VAL A 13 1.018 -1.874 -2.225 1.00 71.42 H new ATOM 0 HG23 VAL A 13 -0.704 -2.240 -2.486 1.00 71.42 H new ATOM 212 N GLN A 14 0.182 -4.867 -6.193 1.00 15.13 N ATOM 213 CA GLN A 14 0.416 -5.868 -7.243 1.00 41.41 C ATOM 214 C GLN A 14 0.781 -5.198 -8.583 1.00 33.25 C ATOM 215 O GLN A 14 1.748 -5.583 -9.245 1.00 23.05 O ATOM 216 CB GLN A 14 -0.833 -6.747 -7.405 1.00 34.51 C ATOM 217 CG GLN A 14 -0.701 -7.834 -8.467 1.00 51.34 C ATOM 218 CD GLN A 14 -1.915 -8.745 -8.538 1.00 33.41 C ATOM 219 OE1 GLN A 14 -3.038 -8.343 -8.248 1.00 14.54 O ATOM 220 NE2 GLN A 14 -1.698 -9.983 -8.921 1.00 74.13 N ATOM 0 H GLN A 14 -0.757 -4.891 -5.796 1.00 15.13 H new ATOM 0 HA GLN A 14 1.259 -6.491 -6.945 1.00 41.41 H new ATOM 0 HB2 GLN A 14 -1.060 -7.216 -6.448 1.00 34.51 H new ATOM 0 HB3 GLN A 14 -1.681 -6.110 -7.657 1.00 34.51 H new ATOM 0 HG2 GLN A 14 -0.547 -7.367 -9.440 1.00 51.34 H new ATOM 0 HG3 GLN A 14 0.185 -8.434 -8.257 1.00 51.34 H new ATOM 0 HE21 GLN A 14 -0.753 -10.286 -9.155 1.00 74.13 H new ATOM 0 HE22 GLN A 14 -2.475 -10.641 -8.984 1.00 74.13 H new ATOM 229 N GLU A 15 0.007 -4.183 -8.961 1.00 62.13 N ATOM 230 CA GLU A 15 0.236 -3.434 -10.204 1.00 34.14 C ATOM 231 C GLU A 15 1.648 -2.817 -10.226 1.00 45.15 C ATOM 232 O GLU A 15 2.426 -3.025 -11.167 1.00 73.03 O ATOM 233 CB GLU A 15 -0.853 -2.351 -10.346 1.00 0.15 C ATOM 234 CG GLU A 15 -0.832 -1.574 -11.665 1.00 15.11 C ATOM 235 CD GLU A 15 -0.063 -0.259 -11.590 1.00 42.42 C ATOM 236 OE1 GLU A 15 -0.671 0.771 -11.225 1.00 41.33 O ATOM 237 OE2 GLU A 15 1.144 -0.244 -11.902 1.00 52.35 O ATOM 0 H GLU A 15 -0.793 -3.854 -8.421 1.00 62.13 H new ATOM 0 HA GLU A 15 0.174 -4.114 -11.053 1.00 34.14 H new ATOM 0 HB2 GLU A 15 -1.829 -2.824 -10.237 1.00 0.15 H new ATOM 0 HB3 GLU A 15 -0.748 -1.643 -9.524 1.00 0.15 H new ATOM 0 HG2 GLU A 15 -0.388 -2.201 -12.439 1.00 15.11 H new ATOM 0 HG3 GLU A 15 -1.858 -1.368 -11.971 1.00 15.11 H new ATOM 244 N ARG A 16 1.989 -2.084 -9.169 1.00 72.14 N ATOM 245 CA ARG A 16 3.315 -1.465 -9.057 1.00 14.34 C ATOM 246 C ARG A 16 4.435 -2.520 -9.028 1.00 63.45 C ATOM 247 O ARG A 16 5.513 -2.310 -9.583 1.00 22.41 O ATOM 248 CB ARG A 16 3.379 -0.563 -7.823 1.00 33.30 C ATOM 249 CG ARG A 16 2.458 0.651 -7.915 1.00 0.31 C ATOM 250 CD ARG A 16 2.866 1.605 -9.043 1.00 32.13 C ATOM 251 NE ARG A 16 1.744 1.935 -9.921 1.00 71.31 N ATOM 252 CZ ARG A 16 1.384 3.146 -10.244 1.00 11.42 C ATOM 253 NH1 ARG A 16 1.982 4.180 -9.739 1.00 41.21 N ATOM 254 NH2 ARG A 16 0.403 3.316 -11.066 1.00 51.44 N ATOM 0 H ARG A 16 1.371 -1.902 -8.378 1.00 72.14 H new ATOM 0 HA ARG A 16 3.474 -0.852 -9.944 1.00 14.34 H new ATOM 0 HB2 ARG A 16 3.114 -1.146 -6.941 1.00 33.30 H new ATOM 0 HB3 ARG A 16 4.405 -0.222 -7.683 1.00 33.30 H new ATOM 0 HG2 ARG A 16 1.434 0.316 -8.078 1.00 0.31 H new ATOM 0 HG3 ARG A 16 2.471 1.187 -6.966 1.00 0.31 H new ATOM 0 HD2 ARG A 16 3.270 2.521 -8.613 1.00 32.13 H new ATOM 0 HD3 ARG A 16 3.663 1.150 -9.631 1.00 32.13 H new ATOM 0 HE ARG A 16 1.204 1.162 -10.309 1.00 71.31 H new ATOM 0 HH11 ARG A 16 2.748 4.054 -9.077 1.00 41.21 H new ATOM 0 HH12 ARG A 16 1.687 5.120 -10.004 1.00 41.21 H new ATOM 0 HH21 ARG A 16 -0.082 2.508 -11.456 1.00 51.44 H new ATOM 0 HH22 ARG A 16 0.113 4.259 -11.326 1.00 51.44 H new ATOM 268 N GLN A 17 4.168 -3.665 -8.400 1.00 34.12 N ATOM 269 CA GLN A 17 5.112 -4.786 -8.435 1.00 60.42 C ATOM 270 C GLN A 17 5.310 -5.302 -9.866 1.00 73.31 C ATOM 271 O GLN A 17 6.339 -5.892 -10.178 1.00 34.24 O ATOM 272 CB GLN A 17 4.643 -5.940 -7.536 1.00 2.34 C ATOM 273 CG GLN A 17 5.051 -5.803 -6.073 1.00 74.31 C ATOM 274 CD GLN A 17 4.668 -7.026 -5.256 1.00 72.04 C ATOM 275 OE1 GLN A 17 3.665 -7.671 -5.523 1.00 21.34 O ATOM 276 NE2 GLN A 17 5.484 -7.378 -4.280 1.00 2.44 N ATOM 0 H GLN A 17 3.317 -3.842 -7.866 1.00 34.12 H new ATOM 0 HA GLN A 17 6.064 -4.411 -8.059 1.00 60.42 H new ATOM 0 HB2 GLN A 17 3.557 -6.011 -7.593 1.00 2.34 H new ATOM 0 HB3 GLN A 17 5.044 -6.875 -7.927 1.00 2.34 H new ATOM 0 HG2 GLN A 17 6.128 -5.649 -6.010 1.00 74.31 H new ATOM 0 HG3 GLN A 17 4.577 -4.919 -5.646 1.00 74.31 H new ATOM 0 HE21 GLN A 17 6.313 -6.818 -4.082 1.00 2.44 H new ATOM 0 HE22 GLN A 17 5.285 -8.210 -3.724 1.00 2.44 H new ATOM 285 N ASN A 18 4.321 -5.090 -10.728 1.00 74.14 N ATOM 286 CA ASN A 18 4.416 -5.526 -12.124 1.00 73.34 C ATOM 287 C ASN A 18 5.151 -4.507 -13.012 1.00 2.42 C ATOM 288 O ASN A 18 5.627 -4.861 -14.092 1.00 63.33 O ATOM 289 CB ASN A 18 3.023 -5.827 -12.684 1.00 1.42 C ATOM 290 CG ASN A 18 2.403 -7.053 -12.033 1.00 62.21 C ATOM 291 OD1 ASN A 18 3.109 -7.948 -11.573 1.00 32.23 O ATOM 292 ND2 ASN A 18 1.090 -7.115 -12.009 1.00 11.20 N ATOM 0 H ASN A 18 3.447 -4.622 -10.490 1.00 74.14 H new ATOM 0 HA ASN A 18 5.011 -6.439 -12.136 1.00 73.34 H new ATOM 0 HB2 ASN A 18 2.374 -4.965 -12.526 1.00 1.42 H new ATOM 0 HB3 ASN A 18 3.090 -5.983 -13.761 1.00 1.42 H new ATOM 0 HD21 ASN A 18 0.625 -7.925 -11.599 1.00 11.20 H new ATOM 0 HD22 ASN A 18 0.536 -6.353 -12.400 1.00 11.20 H new ATOM 299 N MET A 19 5.226 -3.243 -12.587 1.00 35.22 N ATOM 300 CA MET A 19 6.044 -2.252 -13.314 1.00 2.22 C ATOM 301 C MET A 19 7.500 -2.213 -12.805 1.00 74.21 C ATOM 302 O MET A 19 8.434 -2.062 -13.596 1.00 22.35 O ATOM 303 CB MET A 19 5.432 -0.843 -13.245 1.00 42.41 C ATOM 304 CG MET A 19 5.346 -0.257 -11.844 1.00 32.25 C ATOM 305 SD MET A 19 5.082 1.528 -11.858 1.00 32.40 S ATOM 306 CE MET A 19 6.648 2.096 -12.524 1.00 43.14 C ATOM 0 H MET A 19 4.745 -2.881 -11.764 1.00 35.22 H new ATOM 0 HA MET A 19 6.054 -2.576 -14.355 1.00 2.22 H new ATOM 0 HB2 MET A 19 6.024 -0.173 -13.869 1.00 42.41 H new ATOM 0 HB3 MET A 19 4.430 -0.875 -13.673 1.00 42.41 H new ATOM 0 HG2 MET A 19 4.532 -0.737 -11.302 1.00 32.25 H new ATOM 0 HG3 MET A 19 6.265 -0.481 -11.303 1.00 32.25 H new ATOM 0 HE1 MET A 19 6.824 3.126 -12.212 1.00 43.14 H new ATOM 0 HE2 MET A 19 7.453 1.462 -12.152 1.00 43.14 H new ATOM 0 HE3 MET A 19 6.620 2.046 -13.612 1.00 43.14 H new ATOM 316 N ASP A 20 7.694 -2.338 -11.488 1.00 1.43 N ATOM 317 CA ASP A 20 9.039 -2.317 -10.891 1.00 14.54 C ATOM 318 C ASP A 20 9.652 -3.728 -10.807 1.00 52.11 C ATOM 319 O ASP A 20 10.843 -3.912 -11.072 1.00 61.32 O ATOM 320 CB ASP A 20 8.995 -1.679 -9.497 1.00 15.11 C ATOM 321 CG ASP A 20 8.711 -0.186 -9.550 1.00 54.45 C ATOM 322 OD1 ASP A 20 9.649 0.592 -9.844 1.00 41.34 O ATOM 323 OD2 ASP A 20 7.561 0.223 -9.295 1.00 13.13 O ATOM 0 H ASP A 20 6.938 -2.455 -10.813 1.00 1.43 H new ATOM 0 HA ASP A 20 9.675 -1.717 -11.542 1.00 14.54 H new ATOM 0 HB2 ASP A 20 8.227 -2.171 -8.900 1.00 15.11 H new ATOM 0 HB3 ASP A 20 9.947 -1.847 -8.994 1.00 15.11 H new ATOM 328 N ASP A 21 8.829 -4.711 -10.427 1.00 64.31 N ATOM 329 CA ASP A 21 9.240 -6.126 -10.345 1.00 34.21 C ATOM 330 C ASP A 21 10.345 -6.367 -9.300 1.00 3.32 C ATOM 331 O ASP A 21 10.084 -6.914 -8.228 1.00 20.23 O ATOM 332 CB ASP A 21 9.680 -6.647 -11.720 1.00 13.51 C ATOM 333 CG ASP A 21 8.565 -6.575 -12.750 1.00 33.31 C ATOM 334 OD1 ASP A 21 7.657 -7.438 -12.713 1.00 24.23 O ATOM 335 OD2 ASP A 21 8.598 -5.667 -13.607 1.00 11.22 O ATOM 0 H ASP A 21 7.856 -4.553 -10.166 1.00 64.31 H new ATOM 0 HA ASP A 21 8.364 -6.685 -10.016 1.00 34.21 H new ATOM 0 HB2 ASP A 21 10.533 -6.065 -12.070 1.00 13.51 H new ATOM 0 HB3 ASP A 21 10.016 -7.679 -11.624 1.00 13.51 H new ATOM 340 N GLY A 22 11.575 -5.969 -9.619 1.00 52.31 N ATOM 341 CA GLY A 22 12.698 -6.179 -8.705 1.00 23.32 C ATOM 342 C GLY A 22 12.604 -5.351 -7.424 1.00 24.51 C ATOM 343 O GLY A 22 13.116 -5.752 -6.375 1.00 63.32 O ATOM 0 H GLY A 22 11.819 -5.504 -10.494 1.00 52.31 H new ATOM 0 HA2 GLY A 22 12.750 -7.236 -8.442 1.00 23.32 H new ATOM 0 HA3 GLY A 22 13.626 -5.933 -9.220 1.00 23.32 H new ATOM 347 N ALA A 23 11.949 -4.196 -7.511 1.00 1.41 N ATOM 348 CA ALA A 23 11.795 -3.297 -6.361 1.00 20.23 C ATOM 349 C ALA A 23 10.370 -3.344 -5.788 1.00 11.50 C ATOM 350 O ALA A 23 9.401 -3.534 -6.524 1.00 74.14 O ATOM 351 CB ALA A 23 12.148 -1.873 -6.766 1.00 25.32 C ATOM 0 H ALA A 23 11.513 -3.856 -8.368 1.00 1.41 H new ATOM 0 HA ALA A 23 12.476 -3.635 -5.580 1.00 20.23 H new ATOM 0 HB1 ALA A 23 12.031 -1.211 -5.908 1.00 25.32 H new ATOM 0 HB2 ALA A 23 13.181 -1.839 -7.113 1.00 25.32 H new ATOM 0 HB3 ALA A 23 11.485 -1.548 -7.568 1.00 25.32 H new ATOM 357 N PRO A 24 10.222 -3.172 -4.458 1.00 31.53 N ATOM 358 CA PRO A 24 8.904 -3.120 -3.812 1.00 40.44 C ATOM 359 C PRO A 24 8.156 -1.806 -4.103 1.00 24.12 C ATOM 360 O PRO A 24 8.716 -0.862 -4.666 1.00 1.30 O ATOM 361 CB PRO A 24 9.219 -3.250 -2.306 1.00 64.33 C ATOM 362 CG PRO A 24 10.685 -3.554 -2.215 1.00 21.25 C ATOM 363 CD PRO A 24 11.306 -3.024 -3.478 1.00 34.52 C ATOM 0 HA PRO A 24 8.245 -3.905 -4.183 1.00 40.44 H new ATOM 0 HB2 PRO A 24 8.978 -2.329 -1.776 1.00 64.33 H new ATOM 0 HB3 PRO A 24 8.627 -4.044 -1.851 1.00 64.33 H new ATOM 0 HG2 PRO A 24 11.126 -3.082 -1.337 1.00 21.25 H new ATOM 0 HG3 PRO A 24 10.854 -4.626 -2.119 1.00 21.25 H new ATOM 0 HD2 PRO A 24 11.616 -1.985 -3.371 1.00 34.52 H new ATOM 0 HD3 PRO A 24 12.191 -3.593 -3.764 1.00 34.52 H new ATOM 371 N VAL A 25 6.895 -1.746 -3.690 1.00 43.42 N ATOM 372 CA VAL A 25 6.033 -0.596 -3.974 1.00 3.34 C ATOM 373 C VAL A 25 6.302 0.567 -3.010 1.00 21.14 C ATOM 374 O VAL A 25 6.694 0.361 -1.861 1.00 1.10 O ATOM 375 CB VAL A 25 4.543 -1.002 -3.896 1.00 54.00 C ATOM 376 CG1 VAL A 25 3.628 0.151 -4.305 1.00 71.11 C ATOM 377 CG2 VAL A 25 4.295 -2.235 -4.760 1.00 21.52 C ATOM 0 H VAL A 25 6.441 -2.485 -3.153 1.00 43.42 H new ATOM 0 HA VAL A 25 6.265 -0.261 -4.985 1.00 3.34 H new ATOM 0 HB VAL A 25 4.306 -1.247 -2.861 1.00 54.00 H new ATOM 0 HG11 VAL A 25 2.588 -0.169 -4.239 1.00 71.11 H new ATOM 0 HG12 VAL A 25 3.790 0.998 -3.639 1.00 71.11 H new ATOM 0 HG13 VAL A 25 3.852 0.447 -5.330 1.00 71.11 H new ATOM 0 HG21 VAL A 25 3.243 -2.516 -4.700 1.00 21.52 H new ATOM 0 HG22 VAL A 25 4.553 -2.012 -5.795 1.00 21.52 H new ATOM 0 HG23 VAL A 25 4.911 -3.060 -4.402 1.00 21.52 H new ATOM 387 N LYS A 26 6.090 1.790 -3.487 1.00 34.24 N ATOM 388 CA LYS A 26 6.357 2.995 -2.702 1.00 50.23 C ATOM 389 C LYS A 26 5.054 3.550 -2.101 1.00 51.44 C ATOM 390 O LYS A 26 3.989 3.469 -2.718 1.00 53.03 O ATOM 391 CB LYS A 26 7.039 4.062 -3.580 1.00 4.12 C ATOM 392 CG LYS A 26 8.338 3.602 -4.258 1.00 53.41 C ATOM 393 CD LYS A 26 8.084 2.602 -5.389 1.00 20.22 C ATOM 394 CE LYS A 26 9.377 2.128 -6.040 1.00 5.34 C ATOM 395 NZ LYS A 26 10.085 3.227 -6.748 1.00 23.32 N ATOM 0 H LYS A 26 5.730 1.975 -4.423 1.00 34.24 H new ATOM 0 HA LYS A 26 7.028 2.733 -1.884 1.00 50.23 H new ATOM 0 HB2 LYS A 26 6.337 4.382 -4.350 1.00 4.12 H new ATOM 0 HB3 LYS A 26 7.256 4.935 -2.964 1.00 4.12 H new ATOM 0 HG2 LYS A 26 8.864 4.470 -4.656 1.00 53.41 H new ATOM 0 HG3 LYS A 26 8.991 3.146 -3.514 1.00 53.41 H new ATOM 0 HD2 LYS A 26 7.541 1.742 -4.996 1.00 20.22 H new ATOM 0 HD3 LYS A 26 7.447 3.064 -6.144 1.00 20.22 H new ATOM 0 HE2 LYS A 26 10.033 1.708 -5.278 1.00 5.34 H new ATOM 0 HE3 LYS A 26 9.154 1.328 -6.746 1.00 5.34 H new ATOM 0 HZ1 LYS A 26 10.903 2.840 -7.260 1.00 23.32 H new ATOM 0 HZ2 LYS A 26 9.436 3.679 -7.424 1.00 23.32 H new ATOM 0 HZ3 LYS A 26 10.411 3.932 -6.056 1.00 23.32 H new ATOM 409 N THR A 27 5.147 4.126 -0.901 1.00 22.43 N ATOM 410 CA THR A 27 3.970 4.629 -0.170 1.00 22.43 C ATOM 411 C THR A 27 3.134 5.622 -1.005 1.00 32.33 C ATOM 412 O THR A 27 1.902 5.648 -0.902 1.00 51.10 O ATOM 413 CB THR A 27 4.386 5.306 1.164 1.00 45.12 C ATOM 414 OG1 THR A 27 5.095 4.366 1.993 1.00 54.04 O ATOM 415 CG2 THR A 27 3.179 5.838 1.933 1.00 34.01 C ATOM 0 H THR A 27 6.030 4.259 -0.407 1.00 22.43 H new ATOM 0 HA THR A 27 3.350 3.757 0.040 1.00 22.43 H new ATOM 0 HB THR A 27 5.030 6.149 0.913 1.00 45.12 H new ATOM 0 HG1 THR A 27 5.355 4.801 2.832 1.00 54.04 H new ATOM 0 HG21 THR A 27 3.514 6.304 2.860 1.00 34.01 H new ATOM 0 HG22 THR A 27 2.656 6.576 1.324 1.00 34.01 H new ATOM 0 HG23 THR A 27 2.503 5.015 2.165 1.00 34.01 H new ATOM 423 N ARG A 28 3.800 6.426 -1.837 1.00 24.34 N ATOM 424 CA ARG A 28 3.105 7.409 -2.684 1.00 63.23 C ATOM 425 C ARG A 28 2.148 6.747 -3.686 1.00 72.30 C ATOM 426 O ARG A 28 1.030 7.220 -3.883 1.00 14.14 O ATOM 427 CB ARG A 28 4.108 8.290 -3.446 1.00 5.14 C ATOM 428 CG ARG A 28 4.849 9.296 -2.572 1.00 45.30 C ATOM 429 CD ARG A 28 3.889 10.228 -1.830 1.00 51.33 C ATOM 430 NE ARG A 28 2.908 10.854 -2.724 1.00 64.32 N ATOM 431 CZ ARG A 28 2.544 12.109 -2.665 1.00 54.25 C ATOM 432 NH1 ARG A 28 3.042 12.908 -1.776 1.00 24.00 N ATOM 433 NH2 ARG A 28 1.661 12.559 -3.494 1.00 65.45 N ATOM 0 H ARG A 28 4.814 6.419 -1.945 1.00 24.34 H new ATOM 0 HA ARG A 28 2.514 8.028 -2.009 1.00 63.23 H new ATOM 0 HB2 ARG A 28 4.838 7.647 -3.938 1.00 5.14 H new ATOM 0 HB3 ARG A 28 3.577 8.829 -4.231 1.00 5.14 H new ATOM 0 HG2 ARG A 28 5.467 8.763 -1.850 1.00 45.30 H new ATOM 0 HG3 ARG A 28 5.522 9.888 -3.192 1.00 45.30 H new ATOM 0 HD2 ARG A 28 3.364 9.664 -1.059 1.00 51.33 H new ATOM 0 HD3 ARG A 28 4.461 11.005 -1.323 1.00 51.33 H new ATOM 0 HE ARG A 28 2.480 10.269 -3.442 1.00 64.32 H new ATOM 0 HH11 ARG A 28 3.730 12.562 -1.107 1.00 24.00 H new ATOM 0 HH12 ARG A 28 2.747 13.884 -1.745 1.00 24.00 H new ATOM 0 HH21 ARG A 28 1.251 11.936 -4.190 1.00 65.45 H new ATOM 0 HH22 ARG A 28 1.374 13.537 -3.452 1.00 65.45 H new ATOM 447 N ASP A 29 2.584 5.654 -4.315 1.00 42.43 N ATOM 448 CA ASP A 29 1.777 4.981 -5.341 1.00 11.41 C ATOM 449 C ASP A 29 0.370 4.627 -4.832 1.00 42.45 C ATOM 450 O ASP A 29 -0.620 4.821 -5.537 1.00 44.02 O ATOM 451 CB ASP A 29 2.487 3.720 -5.835 1.00 72.50 C ATOM 452 CG ASP A 29 3.791 4.037 -6.542 1.00 25.20 C ATOM 453 OD1 ASP A 29 3.741 4.575 -7.666 1.00 62.32 O ATOM 454 OD2 ASP A 29 4.867 3.746 -5.982 1.00 62.44 O ATOM 0 H ASP A 29 3.487 5.216 -4.135 1.00 42.43 H new ATOM 0 HA ASP A 29 1.661 5.680 -6.169 1.00 11.41 H new ATOM 0 HB2 ASP A 29 2.685 3.061 -4.989 1.00 72.50 H new ATOM 0 HB3 ASP A 29 1.830 3.177 -6.514 1.00 72.50 H new ATOM 459 N ILE A 30 0.283 4.119 -3.603 1.00 1.23 N ATOM 460 CA ILE A 30 -1.014 3.784 -3.004 1.00 55.04 C ATOM 461 C ILE A 30 -1.862 5.049 -2.779 1.00 32.25 C ATOM 462 O ILE A 30 -3.024 5.112 -3.179 1.00 35.51 O ATOM 463 CB ILE A 30 -0.862 3.023 -1.653 1.00 62.24 C ATOM 464 CG1 ILE A 30 -0.226 1.630 -1.856 1.00 75.24 C ATOM 465 CG2 ILE A 30 -2.218 2.893 -0.951 1.00 50.44 C ATOM 466 CD1 ILE A 30 1.249 1.651 -2.211 1.00 53.43 C ATOM 0 H ILE A 30 1.087 3.931 -3.004 1.00 1.23 H new ATOM 0 HA ILE A 30 -1.518 3.127 -3.712 1.00 55.04 H new ATOM 0 HB ILE A 30 -0.194 3.607 -1.020 1.00 62.24 H new ATOM 0 HG12 ILE A 30 -0.358 1.049 -0.943 1.00 75.24 H new ATOM 0 HG13 ILE A 30 -0.768 1.110 -2.646 1.00 75.24 H new ATOM 0 HG21 ILE A 30 -2.091 2.359 -0.010 1.00 50.44 H new ATOM 0 HG22 ILE A 30 -2.622 3.886 -0.753 1.00 50.44 H new ATOM 0 HG23 ILE A 30 -2.907 2.342 -1.591 1.00 50.44 H new ATOM 0 HD11 ILE A 30 1.608 0.629 -2.334 1.00 53.43 H new ATOM 0 HD12 ILE A 30 1.391 2.200 -3.142 1.00 53.43 H new ATOM 0 HD13 ILE A 30 1.808 2.139 -1.413 1.00 53.43 H new ATOM 478 N ALA A 31 -1.262 6.058 -2.148 1.00 21.25 N ATOM 479 CA ALA A 31 -1.958 7.312 -1.838 1.00 23.00 C ATOM 480 C ALA A 31 -2.503 7.997 -3.101 1.00 51.14 C ATOM 481 O ALA A 31 -3.707 8.232 -3.227 1.00 64.12 O ATOM 482 CB ALA A 31 -1.017 8.252 -1.091 1.00 74.44 C ATOM 0 H ALA A 31 -0.290 6.033 -1.839 1.00 21.25 H new ATOM 0 HA ALA A 31 -2.813 7.071 -1.207 1.00 23.00 H new ATOM 0 HB1 ALA A 31 -1.538 9.182 -0.863 1.00 74.44 H new ATOM 0 HB2 ALA A 31 -0.693 7.781 -0.163 1.00 74.44 H new ATOM 0 HB3 ALA A 31 -0.148 8.466 -1.713 1.00 74.44 H new ATOM 488 N ASP A 32 -1.604 8.306 -4.030 1.00 24.42 N ATOM 489 CA ASP A 32 -1.956 8.996 -5.275 1.00 3.53 C ATOM 490 C ASP A 32 -2.976 8.211 -6.126 1.00 34.23 C ATOM 491 O ASP A 32 -3.915 8.796 -6.675 1.00 45.14 O ATOM 492 CB ASP A 32 -0.680 9.263 -6.084 1.00 32.34 C ATOM 493 CG ASP A 32 0.234 10.269 -5.402 1.00 2.20 C ATOM 494 OD1 ASP A 32 0.589 10.062 -4.227 1.00 4.41 O ATOM 495 OD2 ASP A 32 0.591 11.289 -6.032 1.00 43.13 O ATOM 0 H ASP A 32 -0.611 8.087 -3.945 1.00 24.42 H new ATOM 0 HA ASP A 32 -2.436 9.937 -5.007 1.00 3.53 H new ATOM 0 HB2 ASP A 32 -0.142 8.326 -6.230 1.00 32.34 H new ATOM 0 HB3 ASP A 32 -0.950 9.633 -7.073 1.00 32.34 H new ATOM 500 N ALA A 33 -2.795 6.893 -6.235 1.00 71.30 N ATOM 501 CA ALA A 33 -3.684 6.054 -7.056 1.00 15.14 C ATOM 502 C ALA A 33 -5.049 5.811 -6.381 1.00 14.12 C ATOM 503 O ALA A 33 -6.079 5.712 -7.054 1.00 70.34 O ATOM 504 CB ALA A 33 -3.007 4.724 -7.375 1.00 63.02 C ATOM 0 H ALA A 33 -2.046 6.381 -5.769 1.00 71.30 H new ATOM 0 HA ALA A 33 -3.875 6.595 -7.983 1.00 15.14 H new ATOM 0 HB1 ALA A 33 -3.674 4.113 -7.982 1.00 63.02 H new ATOM 0 HB2 ALA A 33 -2.083 4.908 -7.924 1.00 63.02 H new ATOM 0 HB3 ALA A 33 -2.779 4.200 -6.447 1.00 63.02 H new ATOM 510 N ALA A 34 -5.057 5.708 -5.054 1.00 30.40 N ATOM 511 CA ALA A 34 -6.302 5.490 -4.305 1.00 64.24 C ATOM 512 C ALA A 34 -7.033 6.809 -3.999 1.00 61.12 C ATOM 513 O ALA A 34 -8.236 6.815 -3.744 1.00 22.14 O ATOM 514 CB ALA A 34 -6.014 4.732 -3.012 1.00 31.11 C ATOM 0 H ALA A 34 -4.221 5.771 -4.473 1.00 30.40 H new ATOM 0 HA ALA A 34 -6.961 4.892 -4.935 1.00 64.24 H new ATOM 0 HB1 ALA A 34 -6.945 4.577 -2.466 1.00 31.11 H new ATOM 0 HB2 ALA A 34 -5.567 3.767 -3.248 1.00 31.11 H new ATOM 0 HB3 ALA A 34 -5.325 5.311 -2.397 1.00 31.11 H new ATOM 520 N GLY A 35 -6.299 7.922 -4.031 1.00 45.42 N ATOM 521 CA GLY A 35 -6.885 9.226 -3.724 1.00 61.23 C ATOM 522 C GLY A 35 -6.913 9.525 -2.227 1.00 74.44 C ATOM 523 O GLY A 35 -7.691 10.363 -1.764 1.00 70.20 O ATOM 0 H GLY A 35 -5.306 7.947 -4.264 1.00 45.42 H new ATOM 0 HA2 GLY A 35 -6.317 10.004 -4.235 1.00 61.23 H new ATOM 0 HA3 GLY A 35 -7.901 9.264 -4.116 1.00 61.23 H new ATOM 527 N LEU A 36 -6.046 8.854 -1.471 1.00 64.54 N ATOM 528 CA LEU A 36 -6.001 9.003 -0.009 1.00 12.11 C ATOM 529 C LEU A 36 -4.844 9.919 0.432 1.00 74.32 C ATOM 530 O LEU A 36 -4.019 10.332 -0.381 1.00 12.33 O ATOM 531 CB LEU A 36 -5.845 7.627 0.654 1.00 72.53 C ATOM 532 CG LEU A 36 -6.910 6.584 0.283 1.00 71.13 C ATOM 533 CD1 LEU A 36 -6.629 5.256 0.984 1.00 55.53 C ATOM 534 CD2 LEU A 36 -8.311 7.089 0.627 1.00 4.24 C ATOM 0 H LEU A 36 -5.360 8.198 -1.845 1.00 64.54 H new ATOM 0 HA LEU A 36 -6.938 9.462 0.306 1.00 12.11 H new ATOM 0 HB2 LEU A 36 -4.865 7.227 0.393 1.00 72.53 H new ATOM 0 HB3 LEU A 36 -5.856 7.762 1.736 1.00 72.53 H new ATOM 0 HG LEU A 36 -6.864 6.421 -0.794 1.00 71.13 H new ATOM 0 HD11 LEU A 36 -7.394 4.530 0.709 1.00 55.53 H new ATOM 0 HD12 LEU A 36 -5.650 4.884 0.681 1.00 55.53 H new ATOM 0 HD13 LEU A 36 -6.642 5.405 2.064 1.00 55.53 H new ATOM 0 HD21 LEU A 36 -9.047 6.333 0.355 1.00 4.24 H new ATOM 0 HD22 LEU A 36 -8.374 7.288 1.697 1.00 4.24 H new ATOM 0 HD23 LEU A 36 -8.513 8.007 0.075 1.00 4.24 H new ATOM 546 N SER A 37 -4.791 10.223 1.730 1.00 75.13 N ATOM 547 CA SER A 37 -3.705 11.039 2.302 1.00 4.31 C ATOM 548 C SER A 37 -2.628 10.153 2.941 1.00 45.23 C ATOM 549 O SER A 37 -2.934 9.086 3.478 1.00 14.13 O ATOM 550 CB SER A 37 -4.260 12.011 3.349 1.00 25.41 C ATOM 551 OG SER A 37 -3.227 12.796 3.927 1.00 73.34 O ATOM 0 H SER A 37 -5.487 9.918 2.411 1.00 75.13 H new ATOM 0 HA SER A 37 -3.252 11.607 1.489 1.00 4.31 H new ATOM 0 HB2 SER A 37 -4.999 12.664 2.885 1.00 25.41 H new ATOM 0 HB3 SER A 37 -4.774 11.452 4.130 1.00 25.41 H new ATOM 0 HG SER A 37 -3.612 13.407 4.589 1.00 73.34 H new ATOM 557 N ILE A 38 -1.377 10.614 2.901 1.00 74.21 N ATOM 558 CA ILE A 38 -0.226 9.829 3.381 1.00 21.30 C ATOM 559 C ILE A 38 -0.438 9.262 4.799 1.00 1.13 C ATOM 560 O ILE A 38 -0.219 8.073 5.036 1.00 54.15 O ATOM 561 CB ILE A 38 1.076 10.675 3.356 1.00 32.30 C ATOM 562 CG1 ILE A 38 1.376 11.162 1.925 1.00 44.31 C ATOM 563 CG2 ILE A 38 2.261 9.881 3.914 1.00 23.22 C ATOM 564 CD1 ILE A 38 1.538 10.043 0.915 1.00 24.34 C ATOM 0 H ILE A 38 -1.128 11.535 2.539 1.00 74.21 H new ATOM 0 HA ILE A 38 -0.131 8.987 2.695 1.00 21.30 H new ATOM 0 HB ILE A 38 0.925 11.545 3.995 1.00 32.30 H new ATOM 0 HG12 ILE A 38 0.569 11.818 1.599 1.00 44.31 H new ATOM 0 HG13 ILE A 38 2.287 11.760 1.939 1.00 44.31 H new ATOM 0 HG21 ILE A 38 3.159 10.498 3.884 1.00 23.22 H new ATOM 0 HG22 ILE A 38 2.053 9.593 4.944 1.00 23.22 H new ATOM 0 HG23 ILE A 38 2.416 8.986 3.311 1.00 23.22 H new ATOM 0 HD11 ILE A 38 1.747 10.467 -0.067 1.00 24.34 H new ATOM 0 HD12 ILE A 38 2.364 9.399 1.215 1.00 24.34 H new ATOM 0 HD13 ILE A 38 0.619 9.458 0.870 1.00 24.34 H new ATOM 576 N TYR A 39 -0.861 10.117 5.733 1.00 13.44 N ATOM 577 CA TYR A 39 -1.127 9.692 7.116 1.00 22.43 C ATOM 578 C TYR A 39 -2.056 8.467 7.171 1.00 4.33 C ATOM 579 O TYR A 39 -1.748 7.475 7.826 1.00 34.40 O ATOM 580 CB TYR A 39 -1.735 10.854 7.918 1.00 43.02 C ATOM 581 CG TYR A 39 -2.251 10.455 9.294 1.00 35.34 C ATOM 582 CD1 TYR A 39 -1.383 10.010 10.289 1.00 12.04 C ATOM 583 CD2 TYR A 39 -3.608 10.526 9.596 1.00 4.45 C ATOM 584 CE1 TYR A 39 -1.853 9.650 11.538 1.00 71.23 C ATOM 585 CE2 TYR A 39 -4.084 10.169 10.842 1.00 54.05 C ATOM 586 CZ TYR A 39 -3.203 9.731 11.809 1.00 11.24 C ATOM 587 OH TYR A 39 -3.677 9.378 13.052 1.00 52.23 O ATOM 0 H TYR A 39 -1.028 11.108 5.560 1.00 13.44 H new ATOM 0 HA TYR A 39 -0.175 9.403 7.561 1.00 22.43 H new ATOM 0 HB2 TYR A 39 -0.982 11.633 8.036 1.00 43.02 H new ATOM 0 HB3 TYR A 39 -2.555 11.287 7.345 1.00 43.02 H new ATOM 0 HD1 TYR A 39 -0.325 9.945 10.081 1.00 12.04 H new ATOM 0 HD2 TYR A 39 -4.302 10.867 8.842 1.00 4.45 H new ATOM 0 HE1 TYR A 39 -1.167 9.307 12.298 1.00 71.23 H new ATOM 0 HE2 TYR A 39 -5.140 10.232 11.058 1.00 54.05 H new ATOM 0 HH TYR A 39 -4.650 9.494 13.076 1.00 52.23 H new ATOM 597 N GLN A 40 -3.184 8.535 6.472 1.00 32.22 N ATOM 598 CA GLN A 40 -4.155 7.434 6.476 1.00 11.33 C ATOM 599 C GLN A 40 -3.604 6.197 5.742 1.00 73.44 C ATOM 600 O GLN A 40 -3.796 5.062 6.184 1.00 11.20 O ATOM 601 CB GLN A 40 -5.472 7.884 5.831 1.00 74.21 C ATOM 602 CG GLN A 40 -6.576 6.838 5.922 1.00 22.43 C ATOM 603 CD GLN A 40 -7.866 7.271 5.249 1.00 72.25 C ATOM 604 OE1 GLN A 40 -8.729 7.879 5.869 1.00 32.14 O ATOM 605 NE2 GLN A 40 -8.016 6.947 3.982 1.00 63.43 N ATOM 0 H GLN A 40 -3.452 9.334 5.897 1.00 32.22 H new ATOM 0 HA GLN A 40 -4.340 7.157 7.514 1.00 11.33 H new ATOM 0 HB2 GLN A 40 -5.810 8.801 6.313 1.00 74.21 H new ATOM 0 HB3 GLN A 40 -5.292 8.122 4.783 1.00 74.21 H new ATOM 0 HG2 GLN A 40 -6.228 5.911 5.465 1.00 22.43 H new ATOM 0 HG3 GLN A 40 -6.776 6.621 6.971 1.00 22.43 H new ATOM 0 HE21 GLN A 40 -7.277 6.440 3.494 1.00 63.43 H new ATOM 0 HE22 GLN A 40 -8.871 7.203 3.488 1.00 63.43 H new ATOM 614 N VAL A 41 -2.917 6.428 4.626 1.00 44.53 N ATOM 615 CA VAL A 41 -2.347 5.343 3.820 1.00 74.12 C ATOM 616 C VAL A 41 -1.332 4.512 4.616 1.00 52.22 C ATOM 617 O VAL A 41 -1.431 3.284 4.675 1.00 34.53 O ATOM 618 CB VAL A 41 -1.670 5.893 2.539 1.00 51.35 C ATOM 619 CG1 VAL A 41 -0.941 4.786 1.780 1.00 34.15 C ATOM 620 CG2 VAL A 41 -2.703 6.565 1.644 1.00 22.24 C ATOM 0 H VAL A 41 -2.739 7.361 4.255 1.00 44.53 H new ATOM 0 HA VAL A 41 -3.177 4.696 3.537 1.00 74.12 H new ATOM 0 HB VAL A 41 -0.929 6.634 2.839 1.00 51.35 H new ATOM 0 HG11 VAL A 41 -0.476 5.203 0.886 1.00 34.15 H new ATOM 0 HG12 VAL A 41 -0.173 4.351 2.420 1.00 34.15 H new ATOM 0 HG13 VAL A 41 -1.653 4.013 1.492 1.00 34.15 H new ATOM 0 HG21 VAL A 41 -2.214 6.947 0.748 1.00 22.24 H new ATOM 0 HG22 VAL A 41 -3.466 5.840 1.360 1.00 22.24 H new ATOM 0 HG23 VAL A 41 -3.169 7.390 2.183 1.00 22.24 H new ATOM 630 N ARG A 42 -0.363 5.186 5.236 1.00 75.04 N ATOM 631 CA ARG A 42 0.678 4.497 6.007 1.00 20.33 C ATOM 632 C ARG A 42 0.066 3.628 7.120 1.00 23.00 C ATOM 633 O ARG A 42 0.561 2.539 7.401 1.00 34.04 O ATOM 634 CB ARG A 42 1.683 5.504 6.592 1.00 51.43 C ATOM 635 CG ARG A 42 1.094 6.444 7.640 1.00 31.14 C ATOM 636 CD ARG A 42 2.123 7.442 8.161 1.00 35.35 C ATOM 637 NE ARG A 42 3.338 6.785 8.639 1.00 5.51 N ATOM 638 CZ ARG A 42 3.439 6.159 9.778 1.00 74.22 C ATOM 639 NH1 ARG A 42 2.433 6.088 10.589 1.00 12.21 N ATOM 640 NH2 ARG A 42 4.557 5.604 10.101 1.00 22.22 N ATOM 0 H ARG A 42 -0.275 6.202 5.221 1.00 75.04 H new ATOM 0 HA ARG A 42 1.214 3.837 5.325 1.00 20.33 H new ATOM 0 HB2 ARG A 42 2.512 4.954 7.039 1.00 51.43 H new ATOM 0 HB3 ARG A 42 2.097 6.100 5.779 1.00 51.43 H new ATOM 0 HG2 ARG A 42 0.252 6.985 7.208 1.00 31.14 H new ATOM 0 HG3 ARG A 42 0.704 5.859 8.473 1.00 31.14 H new ATOM 0 HD2 ARG A 42 2.380 8.144 7.367 1.00 35.35 H new ATOM 0 HD3 ARG A 42 1.684 8.024 8.971 1.00 35.35 H new ATOM 0 HE ARG A 42 4.163 6.819 8.040 1.00 5.51 H new ATOM 0 HH11 ARG A 42 1.546 6.525 10.340 1.00 12.21 H new ATOM 0 HH12 ARG A 42 2.527 5.595 11.477 1.00 12.21 H new ATOM 0 HH21 ARG A 42 5.354 5.657 9.467 1.00 22.22 H new ATOM 0 HH22 ARG A 42 4.644 5.112 10.990 1.00 22.22 H new ATOM 654 N LEU A 43 -1.026 4.103 7.729 1.00 1.43 N ATOM 655 CA LEU A 43 -1.729 3.335 8.764 1.00 61.35 C ATOM 656 C LEU A 43 -2.233 1.995 8.206 1.00 74.43 C ATOM 657 O LEU A 43 -2.025 0.941 8.813 1.00 63.02 O ATOM 658 CB LEU A 43 -2.906 4.140 9.332 1.00 3.23 C ATOM 659 CG LEU A 43 -2.533 5.462 10.025 1.00 11.14 C ATOM 660 CD1 LEU A 43 -3.785 6.187 10.515 1.00 74.23 C ATOM 661 CD2 LEU A 43 -1.561 5.217 11.176 1.00 34.52 C ATOM 0 H LEU A 43 -1.441 5.012 7.525 1.00 1.43 H new ATOM 0 HA LEU A 43 -1.020 3.133 9.567 1.00 61.35 H new ATOM 0 HB2 LEU A 43 -3.599 4.359 8.520 1.00 3.23 H new ATOM 0 HB3 LEU A 43 -3.440 3.514 10.047 1.00 3.23 H new ATOM 0 HG LEU A 43 -2.035 6.100 9.294 1.00 11.14 H new ATOM 0 HD11 LEU A 43 -3.499 7.119 11.002 1.00 74.23 H new ATOM 0 HD12 LEU A 43 -4.434 6.405 9.667 1.00 74.23 H new ATOM 0 HD13 LEU A 43 -4.317 5.555 11.226 1.00 74.23 H new ATOM 0 HD21 LEU A 43 -1.312 6.166 11.650 1.00 34.52 H new ATOM 0 HD22 LEU A 43 -2.024 4.556 11.909 1.00 34.52 H new ATOM 0 HD23 LEU A 43 -0.652 4.754 10.792 1.00 34.52 H new ATOM 673 N TYR A 44 -2.893 2.042 7.044 1.00 70.52 N ATOM 674 CA TYR A 44 -3.354 0.819 6.369 1.00 34.34 C ATOM 675 C TYR A 44 -2.179 -0.130 6.091 1.00 62.21 C ATOM 676 O TYR A 44 -2.244 -1.322 6.384 1.00 34.12 O ATOM 677 CB TYR A 44 -4.055 1.146 5.038 1.00 31.43 C ATOM 678 CG TYR A 44 -5.350 1.933 5.170 1.00 50.12 C ATOM 679 CD1 TYR A 44 -6.326 1.566 6.092 1.00 21.24 C ATOM 680 CD2 TYR A 44 -5.598 3.035 4.358 1.00 54.40 C ATOM 681 CE1 TYR A 44 -7.508 2.277 6.200 1.00 51.02 C ATOM 682 CE2 TYR A 44 -6.775 3.746 4.460 1.00 73.54 C ATOM 683 CZ TYR A 44 -7.727 3.367 5.381 1.00 14.02 C ATOM 684 OH TYR A 44 -8.901 4.080 5.484 1.00 40.23 O ATOM 0 H TYR A 44 -3.120 2.906 6.552 1.00 70.52 H new ATOM 0 HA TYR A 44 -4.064 0.333 7.038 1.00 34.34 H new ATOM 0 HB2 TYR A 44 -3.366 1.712 4.411 1.00 31.43 H new ATOM 0 HB3 TYR A 44 -4.266 0.212 4.517 1.00 31.43 H new ATOM 0 HD1 TYR A 44 -6.158 0.713 6.733 1.00 21.24 H new ATOM 0 HD2 TYR A 44 -4.856 3.339 3.635 1.00 54.40 H new ATOM 0 HE1 TYR A 44 -8.256 1.981 6.921 1.00 51.02 H new ATOM 0 HE2 TYR A 44 -6.950 4.598 3.820 1.00 73.54 H new ATOM 0 HH TYR A 44 -9.232 4.034 6.405 1.00 40.23 H new ATOM 694 N LEU A 45 -1.104 0.424 5.532 1.00 45.51 N ATOM 695 CA LEU A 45 0.083 -0.357 5.161 1.00 30.12 C ATOM 696 C LEU A 45 0.723 -1.036 6.384 1.00 74.43 C ATOM 697 O LEU A 45 1.102 -2.212 6.327 1.00 2.31 O ATOM 698 CB LEU A 45 1.095 0.553 4.456 1.00 3.34 C ATOM 699 CG LEU A 45 0.564 1.256 3.191 1.00 62.14 C ATOM 700 CD1 LEU A 45 1.594 2.232 2.635 1.00 70.22 C ATOM 701 CD2 LEU A 45 0.162 0.234 2.127 1.00 1.11 C ATOM 0 H LEU A 45 -1.028 1.419 5.323 1.00 45.51 H new ATOM 0 HA LEU A 45 -0.227 -1.150 4.480 1.00 30.12 H new ATOM 0 HB2 LEU A 45 1.432 1.312 5.162 1.00 3.34 H new ATOM 0 HB3 LEU A 45 1.968 -0.040 4.185 1.00 3.34 H new ATOM 0 HG LEU A 45 -0.323 1.823 3.472 1.00 62.14 H new ATOM 0 HD11 LEU A 45 1.194 2.714 1.743 1.00 70.22 H new ATOM 0 HD12 LEU A 45 1.821 2.989 3.386 1.00 70.22 H new ATOM 0 HD13 LEU A 45 2.505 1.692 2.378 1.00 70.22 H new ATOM 0 HD21 LEU A 45 -0.209 0.755 1.244 1.00 1.11 H new ATOM 0 HD22 LEU A 45 1.029 -0.368 1.855 1.00 1.11 H new ATOM 0 HD23 LEU A 45 -0.620 -0.414 2.522 1.00 1.11 H new ATOM 713 N GLU A 46 0.840 -0.294 7.486 1.00 33.02 N ATOM 714 CA GLU A 46 1.342 -0.854 8.746 1.00 43.32 C ATOM 715 C GLU A 46 0.479 -2.040 9.207 1.00 34.31 C ATOM 716 O GLU A 46 0.988 -3.131 9.474 1.00 12.20 O ATOM 717 CB GLU A 46 1.363 0.220 9.846 1.00 11.22 C ATOM 718 CG GLU A 46 2.355 1.354 9.596 1.00 34.41 C ATOM 719 CD GLU A 46 2.384 2.361 10.736 1.00 62.11 C ATOM 720 OE1 GLU A 46 1.593 3.326 10.710 1.00 40.02 O ATOM 721 OE2 GLU A 46 3.188 2.183 11.677 1.00 54.51 O ATOM 0 H GLU A 46 0.595 0.695 7.534 1.00 33.02 H new ATOM 0 HA GLU A 46 2.358 -1.207 8.567 1.00 43.32 H new ATOM 0 HB2 GLU A 46 0.363 0.642 9.945 1.00 11.22 H new ATOM 0 HB3 GLU A 46 1.604 -0.255 10.797 1.00 11.22 H new ATOM 0 HG2 GLU A 46 3.352 0.937 9.458 1.00 34.41 H new ATOM 0 HG3 GLU A 46 2.092 1.865 8.670 1.00 34.41 H new ATOM 728 N GLN A 47 -0.833 -1.818 9.277 1.00 55.22 N ATOM 729 CA GLN A 47 -1.778 -2.865 9.689 1.00 3.45 C ATOM 730 C GLN A 47 -1.704 -4.085 8.755 1.00 11.22 C ATOM 731 O GLN A 47 -1.754 -5.227 9.209 1.00 42.23 O ATOM 732 CB GLN A 47 -3.209 -2.307 9.719 1.00 41.03 C ATOM 733 CG GLN A 47 -3.399 -1.142 10.692 1.00 63.24 C ATOM 734 CD GLN A 47 -3.163 -1.523 12.146 1.00 31.54 C ATOM 735 OE1 GLN A 47 -3.377 -2.661 12.552 1.00 2.21 O ATOM 736 NE2 GLN A 47 -2.716 -0.574 12.945 1.00 11.34 N ATOM 0 H GLN A 47 -1.270 -0.923 9.054 1.00 55.22 H new ATOM 0 HA GLN A 47 -1.501 -3.191 10.691 1.00 3.45 H new ATOM 0 HB2 GLN A 47 -3.482 -1.978 8.716 1.00 41.03 H new ATOM 0 HB3 GLN A 47 -3.896 -3.109 9.989 1.00 41.03 H new ATOM 0 HG2 GLN A 47 -2.717 -0.337 10.420 1.00 63.24 H new ATOM 0 HG3 GLN A 47 -4.411 -0.752 10.586 1.00 63.24 H new ATOM 0 HE21 GLN A 47 -2.547 0.363 12.579 1.00 11.34 H new ATOM 0 HE22 GLN A 47 -2.539 -0.777 13.929 1.00 11.34 H new ATOM 745 N LEU A 48 -1.573 -3.836 7.450 1.00 42.43 N ATOM 746 CA LEU A 48 -1.415 -4.917 6.466 1.00 23.20 C ATOM 747 C LEU A 48 -0.161 -5.758 6.751 1.00 65.04 C ATOM 748 O LEU A 48 -0.181 -6.980 6.619 1.00 13.03 O ATOM 749 CB LEU A 48 -1.360 -4.348 5.038 1.00 60.53 C ATOM 750 CG LEU A 48 -2.685 -3.778 4.502 1.00 71.12 C ATOM 751 CD1 LEU A 48 -2.487 -3.127 3.134 1.00 2.13 C ATOM 752 CD2 LEU A 48 -3.750 -4.870 4.426 1.00 51.44 C ATOM 0 H LEU A 48 -1.573 -2.899 7.048 1.00 42.43 H new ATOM 0 HA LEU A 48 -2.285 -5.569 6.552 1.00 23.20 H new ATOM 0 HB2 LEU A 48 -0.607 -3.561 5.008 1.00 60.53 H new ATOM 0 HB3 LEU A 48 -1.024 -5.136 4.364 1.00 60.53 H new ATOM 0 HG LEU A 48 -3.026 -3.011 5.197 1.00 71.12 H new ATOM 0 HD11 LEU A 48 -3.439 -2.732 2.778 1.00 2.13 H new ATOM 0 HD12 LEU A 48 -1.766 -2.314 3.219 1.00 2.13 H new ATOM 0 HD13 LEU A 48 -2.115 -3.870 2.428 1.00 2.13 H new ATOM 0 HD21 LEU A 48 -4.679 -4.446 4.045 1.00 51.44 H new ATOM 0 HD22 LEU A 48 -3.412 -5.662 3.758 1.00 51.44 H new ATOM 0 HD23 LEU A 48 -3.920 -5.282 5.421 1.00 51.44 H new ATOM 764 N HIS A 49 0.933 -5.108 7.137 1.00 50.10 N ATOM 765 CA HIS A 49 2.146 -5.829 7.541 1.00 63.13 C ATOM 766 C HIS A 49 1.918 -6.608 8.848 1.00 11.34 C ATOM 767 O HIS A 49 2.375 -7.741 8.997 1.00 14.22 O ATOM 768 CB HIS A 49 3.329 -4.863 7.705 1.00 23.05 C ATOM 769 CG HIS A 49 4.537 -5.497 8.335 1.00 53.33 C ATOM 770 ND1 HIS A 49 5.263 -6.503 7.733 1.00 53.11 N ATOM 771 CD2 HIS A 49 5.127 -5.288 9.538 1.00 15.10 C ATOM 772 CE1 HIS A 49 6.238 -6.883 8.532 1.00 4.42 C ATOM 773 NE2 HIS A 49 6.180 -6.163 9.634 1.00 30.12 N ATOM 0 H HIS A 49 1.009 -4.092 7.180 1.00 50.10 H new ATOM 0 HA HIS A 49 2.383 -6.541 6.751 1.00 63.13 H new ATOM 0 HB2 HIS A 49 3.604 -4.468 6.727 1.00 23.05 H new ATOM 0 HB3 HIS A 49 3.014 -4.015 8.314 1.00 23.05 H new ATOM 0 HD1 HIS A 49 5.074 -6.893 6.810 1.00 53.11 H new ATOM 0 HD2 HIS A 49 4.824 -4.567 10.283 1.00 15.10 H new ATOM 0 HE1 HIS A 49 6.963 -7.655 8.320 1.00 4.42 H new ATOM 782 N ASP A 50 1.202 -5.988 9.780 1.00 54.54 N ATOM 783 CA ASP A 50 0.945 -6.582 11.094 1.00 53.01 C ATOM 784 C ASP A 50 0.067 -7.847 10.999 1.00 43.13 C ATOM 785 O ASP A 50 0.344 -8.853 11.653 1.00 31.05 O ATOM 786 CB ASP A 50 0.289 -5.536 12.005 1.00 44.44 C ATOM 787 CG ASP A 50 0.094 -6.042 13.423 1.00 13.12 C ATOM 788 OD1 ASP A 50 1.108 -6.311 14.104 1.00 32.02 O ATOM 789 OD2 ASP A 50 -1.068 -6.160 13.866 1.00 25.14 O ATOM 0 H ASP A 50 0.785 -5.066 9.651 1.00 54.54 H new ATOM 0 HA ASP A 50 1.900 -6.893 11.518 1.00 53.01 H new ATOM 0 HB2 ASP A 50 0.906 -4.638 12.025 1.00 44.44 H new ATOM 0 HB3 ASP A 50 -0.677 -5.250 11.588 1.00 44.44 H new ATOM 794 N VAL A 51 -0.984 -7.793 10.181 1.00 5.11 N ATOM 795 CA VAL A 51 -1.897 -8.937 10.012 1.00 21.23 C ATOM 796 C VAL A 51 -1.314 -10.024 9.086 1.00 23.23 C ATOM 797 O VAL A 51 -1.844 -11.134 9.013 1.00 13.13 O ATOM 798 CB VAL A 51 -3.279 -8.489 9.467 1.00 12.44 C ATOM 799 CG1 VAL A 51 -3.953 -7.515 10.433 1.00 65.33 C ATOM 800 CG2 VAL A 51 -3.143 -7.877 8.074 1.00 1.15 C ATOM 0 H VAL A 51 -1.229 -6.974 9.624 1.00 5.11 H new ATOM 0 HA VAL A 51 -2.024 -9.365 11.006 1.00 21.23 H new ATOM 0 HB VAL A 51 -3.913 -9.371 9.383 1.00 12.44 H new ATOM 0 HG11 VAL A 51 -4.920 -7.214 10.031 1.00 65.33 H new ATOM 0 HG12 VAL A 51 -4.097 -8.001 11.398 1.00 65.33 H new ATOM 0 HG13 VAL A 51 -3.323 -6.634 10.560 1.00 65.33 H new ATOM 0 HG21 VAL A 51 -4.125 -7.571 7.714 1.00 1.15 H new ATOM 0 HG22 VAL A 51 -2.487 -7.008 8.121 1.00 1.15 H new ATOM 0 HG23 VAL A 51 -2.720 -8.615 7.392 1.00 1.15 H new ATOM 810 N GLY A 52 -0.227 -9.704 8.381 1.00 51.25 N ATOM 811 CA GLY A 52 0.430 -10.687 7.516 1.00 20.43 C ATOM 812 C GLY A 52 0.016 -10.588 6.048 1.00 53.33 C ATOM 813 O GLY A 52 -0.388 -11.582 5.438 1.00 33.25 O ATOM 0 H GLY A 52 0.213 -8.784 8.391 1.00 51.25 H new ATOM 0 HA2 GLY A 52 1.510 -10.558 7.589 1.00 20.43 H new ATOM 0 HA3 GLY A 52 0.203 -11.689 7.882 1.00 20.43 H new ATOM 817 N VAL A 53 0.117 -9.390 5.478 1.00 43.23 N ATOM 818 CA VAL A 53 -0.194 -9.162 4.058 1.00 23.34 C ATOM 819 C VAL A 53 0.996 -8.526 3.320 1.00 44.35 C ATOM 820 O VAL A 53 1.345 -8.933 2.210 1.00 1.44 O ATOM 821 CB VAL A 53 -1.442 -8.252 3.888 1.00 11.32 C ATOM 822 CG1 VAL A 53 -1.730 -7.978 2.410 1.00 14.02 C ATOM 823 CG2 VAL A 53 -2.664 -8.868 4.570 1.00 54.20 C ATOM 0 H VAL A 53 0.414 -8.552 5.978 1.00 43.23 H new ATOM 0 HA VAL A 53 -0.405 -10.139 3.623 1.00 23.34 H new ATOM 0 HB VAL A 53 -1.225 -7.299 4.371 1.00 11.32 H new ATOM 0 HG11 VAL A 53 -2.609 -7.339 2.323 1.00 14.02 H new ATOM 0 HG12 VAL A 53 -0.872 -7.479 1.959 1.00 14.02 H new ATOM 0 HG13 VAL A 53 -1.914 -8.920 1.894 1.00 14.02 H new ATOM 0 HG21 VAL A 53 -3.524 -8.212 4.437 1.00 54.20 H new ATOM 0 HG22 VAL A 53 -2.877 -9.840 4.126 1.00 54.20 H new ATOM 0 HG23 VAL A 53 -2.463 -8.991 5.634 1.00 54.20 H new ATOM 833 N LEU A 54 1.616 -7.522 3.943 1.00 44.24 N ATOM 834 CA LEU A 54 2.748 -6.812 3.330 1.00 71.33 C ATOM 835 C LEU A 54 4.080 -7.109 4.035 1.00 54.34 C ATOM 836 O LEU A 54 4.146 -7.231 5.263 1.00 52.01 O ATOM 837 CB LEU A 54 2.496 -5.295 3.337 1.00 41.33 C ATOM 838 CG LEU A 54 1.314 -4.810 2.482 1.00 12.45 C ATOM 839 CD1 LEU A 54 1.182 -3.292 2.566 1.00 35.12 C ATOM 840 CD2 LEU A 54 1.468 -5.254 1.030 1.00 72.31 C ATOM 0 H LEU A 54 1.357 -7.181 4.869 1.00 44.24 H new ATOM 0 HA LEU A 54 2.826 -7.173 2.305 1.00 71.33 H new ATOM 0 HB2 LEU A 54 2.330 -4.978 4.367 1.00 41.33 H new ATOM 0 HB3 LEU A 54 3.400 -4.794 2.991 1.00 41.33 H new ATOM 0 HG LEU A 54 0.404 -5.261 2.877 1.00 12.45 H new ATOM 0 HD11 LEU A 54 0.340 -2.966 1.955 1.00 35.12 H new ATOM 0 HD12 LEU A 54 1.014 -2.998 3.602 1.00 35.12 H new ATOM 0 HD13 LEU A 54 2.098 -2.826 2.201 1.00 35.12 H new ATOM 0 HD21 LEU A 54 0.618 -4.897 0.448 1.00 72.31 H new ATOM 0 HD22 LEU A 54 2.389 -4.840 0.619 1.00 72.31 H new ATOM 0 HD23 LEU A 54 1.507 -6.342 0.985 1.00 72.31 H new ATOM 852 N GLU A 55 5.136 -7.209 3.237 1.00 20.14 N ATOM 853 CA GLU A 55 6.507 -7.334 3.733 1.00 14.12 C ATOM 854 C GLU A 55 7.122 -5.933 3.864 1.00 3.21 C ATOM 855 O GLU A 55 7.222 -5.196 2.877 1.00 5.52 O ATOM 856 CB GLU A 55 7.337 -8.196 2.763 1.00 61.21 C ATOM 857 CG GLU A 55 8.769 -8.469 3.224 1.00 10.54 C ATOM 858 CD GLU A 55 9.571 -9.293 2.220 1.00 11.43 C ATOM 859 OE1 GLU A 55 9.289 -10.501 2.074 1.00 53.33 O ATOM 860 OE2 GLU A 55 10.489 -8.736 1.575 1.00 53.15 O ATOM 0 H GLU A 55 5.068 -7.206 2.219 1.00 20.14 H new ATOM 0 HA GLU A 55 6.504 -7.818 4.709 1.00 14.12 H new ATOM 0 HB2 GLU A 55 6.828 -9.149 2.617 1.00 61.21 H new ATOM 0 HB3 GLU A 55 7.369 -7.700 1.793 1.00 61.21 H new ATOM 0 HG2 GLU A 55 9.277 -7.520 3.395 1.00 10.54 H new ATOM 0 HG3 GLU A 55 8.744 -8.994 4.179 1.00 10.54 H new ATOM 867 N LYS A 56 7.518 -5.561 5.079 1.00 2.31 N ATOM 868 CA LYS A 56 7.983 -4.199 5.355 1.00 21.15 C ATOM 869 C LYS A 56 9.479 -4.054 5.026 1.00 12.53 C ATOM 870 O LYS A 56 10.345 -4.385 5.837 1.00 45.43 O ATOM 871 CB LYS A 56 7.691 -3.841 6.825 1.00 11.22 C ATOM 872 CG LYS A 56 7.687 -2.339 7.135 1.00 33.45 C ATOM 873 CD LYS A 56 9.069 -1.806 7.509 1.00 10.22 C ATOM 874 CE LYS A 56 9.023 -0.313 7.817 1.00 14.31 C ATOM 875 NZ LYS A 56 10.267 0.170 8.475 1.00 73.11 N ATOM 0 H LYS A 56 7.527 -6.181 5.889 1.00 2.31 H new ATOM 0 HA LYS A 56 7.444 -3.500 4.715 1.00 21.15 H new ATOM 0 HB2 LYS A 56 6.721 -4.256 7.099 1.00 11.22 H new ATOM 0 HB3 LYS A 56 8.436 -4.326 7.457 1.00 11.22 H new ATOM 0 HG2 LYS A 56 7.316 -1.795 6.267 1.00 33.45 H new ATOM 0 HG3 LYS A 56 6.994 -2.144 7.953 1.00 33.45 H new ATOM 0 HD2 LYS A 56 9.447 -2.347 8.377 1.00 10.22 H new ATOM 0 HD3 LYS A 56 9.765 -1.989 6.691 1.00 10.22 H new ATOM 0 HE2 LYS A 56 8.866 0.241 6.892 1.00 14.31 H new ATOM 0 HE3 LYS A 56 8.170 -0.104 8.462 1.00 14.31 H new ATOM 0 HZ1 LYS A 56 10.187 1.190 8.664 1.00 73.11 H new ATOM 0 HZ2 LYS A 56 10.405 -0.338 9.372 1.00 73.11 H new ATOM 0 HZ3 LYS A 56 11.080 -0.003 7.850 1.00 73.11 H new ATOM 889 N VAL A 57 9.764 -3.582 3.816 1.00 50.32 N ATOM 890 CA VAL A 57 11.141 -3.463 3.324 1.00 61.43 C ATOM 891 C VAL A 57 11.735 -2.067 3.590 1.00 52.34 C ATOM 892 O VAL A 57 11.022 -1.062 3.608 1.00 61.20 O ATOM 893 CB VAL A 57 11.201 -3.763 1.802 1.00 33.31 C ATOM 894 CG1 VAL A 57 12.635 -3.701 1.278 1.00 11.11 C ATOM 895 CG2 VAL A 57 10.571 -5.122 1.494 1.00 63.23 C ATOM 0 H VAL A 57 9.056 -3.272 3.150 1.00 50.32 H new ATOM 0 HA VAL A 57 11.736 -4.194 3.871 1.00 61.43 H new ATOM 0 HB VAL A 57 10.627 -2.992 1.289 1.00 33.31 H new ATOM 0 HG11 VAL A 57 12.642 -3.916 0.209 1.00 11.11 H new ATOM 0 HG12 VAL A 57 13.043 -2.705 1.450 1.00 11.11 H new ATOM 0 HG13 VAL A 57 13.245 -4.438 1.800 1.00 11.11 H new ATOM 0 HG21 VAL A 57 10.623 -5.313 0.422 1.00 63.23 H new ATOM 0 HG22 VAL A 57 11.112 -5.903 2.028 1.00 63.23 H new ATOM 0 HG23 VAL A 57 9.528 -5.120 1.812 1.00 63.23 H new ATOM 905 N ASN A 58 13.049 -2.014 3.802 1.00 0.10 N ATOM 906 CA ASN A 58 13.757 -0.745 3.992 1.00 24.11 C ATOM 907 C ASN A 58 15.051 -0.717 3.157 1.00 33.55 C ATOM 908 O ASN A 58 16.058 -1.308 3.543 1.00 62.42 O ATOM 909 CB ASN A 58 14.083 -0.534 5.480 1.00 3.42 C ATOM 910 CG ASN A 58 14.586 0.870 5.789 1.00 34.33 C ATOM 911 OD1 ASN A 58 15.449 1.060 6.639 1.00 70.54 O ATOM 912 ND2 ASN A 58 14.022 1.868 5.136 1.00 65.00 N ATOM 0 H ASN A 58 13.649 -2.838 3.847 1.00 0.10 H new ATOM 0 HA ASN A 58 13.109 0.064 3.655 1.00 24.11 H new ATOM 0 HB2 ASN A 58 13.190 -0.732 6.073 1.00 3.42 H new ATOM 0 HB3 ASN A 58 14.837 -1.259 5.787 1.00 3.42 H new ATOM 0 HD21 ASN A 58 14.301 2.829 5.333 1.00 65.00 H new ATOM 0 HD22 ASN A 58 13.307 1.679 4.434 1.00 65.00 H new ATOM 919 N ALA A 59 15.011 -0.051 2.003 1.00 12.52 N ATOM 920 CA ALA A 59 16.193 0.062 1.135 1.00 2.21 C ATOM 921 C ALA A 59 17.276 0.953 1.771 1.00 60.52 C ATOM 922 O ALA A 59 17.224 2.185 1.682 1.00 2.24 O ATOM 923 CB ALA A 59 15.797 0.597 -0.239 1.00 41.54 C ATOM 0 H ALA A 59 14.179 0.418 1.645 1.00 12.52 H new ATOM 0 HA ALA A 59 16.614 -0.936 1.014 1.00 2.21 H new ATOM 0 HB1 ALA A 59 16.683 0.674 -0.869 1.00 41.54 H new ATOM 0 HB2 ALA A 59 15.081 -0.083 -0.702 1.00 41.54 H new ATOM 0 HB3 ALA A 59 15.343 1.582 -0.129 1.00 41.54 H new ATOM 929 N GLY A 60 18.247 0.323 2.424 1.00 4.30 N ATOM 930 CA GLY A 60 19.308 1.058 3.097 1.00 55.12 C ATOM 931 C GLY A 60 18.892 1.566 4.475 1.00 13.43 C ATOM 932 O GLY A 60 19.027 0.858 5.473 1.00 52.13 O ATOM 0 H GLY A 60 18.320 -0.692 2.501 1.00 4.30 H new ATOM 0 HA2 GLY A 60 20.181 0.414 3.200 1.00 55.12 H new ATOM 0 HA3 GLY A 60 19.607 1.904 2.478 1.00 55.12 H new ATOM 936 N LYS A 61 18.380 2.796 4.528 1.00 3.22 N ATOM 937 CA LYS A 61 17.928 3.400 5.790 1.00 73.31 C ATOM 938 C LYS A 61 17.277 4.773 5.554 1.00 42.41 C ATOM 939 O LYS A 61 16.311 5.138 6.229 1.00 45.32 O ATOM 940 CB LYS A 61 19.109 3.546 6.769 1.00 70.14 C ATOM 941 CG LYS A 61 18.706 3.996 8.170 1.00 75.12 C ATOM 942 CD LYS A 61 17.807 2.977 8.883 1.00 52.35 C ATOM 943 CE LYS A 61 18.539 1.676 9.222 1.00 52.11 C ATOM 944 NZ LYS A 61 18.719 0.782 8.043 1.00 11.02 N ATOM 0 H LYS A 61 18.266 3.398 3.712 1.00 3.22 H new ATOM 0 HA LYS A 61 17.180 2.736 6.223 1.00 73.31 H new ATOM 0 HB2 LYS A 61 19.627 2.590 6.841 1.00 70.14 H new ATOM 0 HB3 LYS A 61 19.820 4.263 6.359 1.00 70.14 H new ATOM 0 HG2 LYS A 61 19.603 4.162 8.766 1.00 75.12 H new ATOM 0 HG3 LYS A 61 18.185 4.951 8.105 1.00 75.12 H new ATOM 0 HD2 LYS A 61 17.419 3.420 9.800 1.00 52.35 H new ATOM 0 HD3 LYS A 61 16.948 2.751 8.251 1.00 52.35 H new ATOM 0 HE2 LYS A 61 19.516 1.915 9.642 1.00 52.11 H new ATOM 0 HE3 LYS A 61 17.982 1.143 9.993 1.00 52.11 H new ATOM 0 HZ1 LYS A 61 18.321 -0.155 8.254 1.00 11.02 H new ATOM 0 HZ2 LYS A 61 18.229 1.189 7.221 1.00 11.02 H new ATOM 0 HZ3 LYS A 61 19.733 0.688 7.830 1.00 11.02 H new ATOM 958 N GLY A 62 17.818 5.530 4.597 1.00 15.45 N ATOM 959 CA GLY A 62 17.291 6.859 4.286 1.00 33.23 C ATOM 960 C GLY A 62 15.840 6.848 3.806 1.00 0.04 C ATOM 961 O GLY A 62 15.105 7.816 4.013 1.00 65.13 O ATOM 0 H GLY A 62 18.616 5.247 4.028 1.00 15.45 H new ATOM 0 HA2 GLY A 62 17.366 7.487 5.174 1.00 33.23 H new ATOM 0 HA3 GLY A 62 17.915 7.317 3.518 1.00 33.23 H new ATOM 965 N VAL A 63 15.426 5.760 3.160 1.00 35.25 N ATOM 966 CA VAL A 63 14.051 5.641 2.655 1.00 73.42 C ATOM 967 C VAL A 63 13.050 5.342 3.791 1.00 20.05 C ATOM 968 O VAL A 63 13.336 4.557 4.697 1.00 54.32 O ATOM 969 CB VAL A 63 13.936 4.539 1.571 1.00 33.11 C ATOM 970 CG1 VAL A 63 14.813 4.874 0.366 1.00 45.12 C ATOM 971 CG2 VAL A 63 14.296 3.168 2.138 1.00 51.31 C ATOM 0 H VAL A 63 16.016 4.949 2.972 1.00 35.25 H new ATOM 0 HA VAL A 63 13.802 6.604 2.210 1.00 73.42 H new ATOM 0 HB VAL A 63 12.898 4.501 1.240 1.00 33.11 H new ATOM 0 HG11 VAL A 63 14.718 4.088 -0.383 1.00 45.12 H new ATOM 0 HG12 VAL A 63 14.495 5.824 -0.063 1.00 45.12 H new ATOM 0 HG13 VAL A 63 15.853 4.949 0.683 1.00 45.12 H new ATOM 0 HG21 VAL A 63 14.206 2.415 1.355 1.00 51.31 H new ATOM 0 HG22 VAL A 63 15.321 3.185 2.509 1.00 51.31 H new ATOM 0 HG23 VAL A 63 13.618 2.923 2.956 1.00 51.31 H new ATOM 981 N PRO A 64 11.849 5.959 3.746 1.00 25.14 N ATOM 982 CA PRO A 64 10.825 5.785 4.796 1.00 53.14 C ATOM 983 C PRO A 64 10.280 4.345 4.881 1.00 2.30 C ATOM 984 O PRO A 64 9.985 3.848 5.971 1.00 50.31 O ATOM 985 CB PRO A 64 9.716 6.765 4.378 1.00 35.41 C ATOM 986 CG PRO A 64 9.909 6.959 2.910 1.00 11.14 C ATOM 987 CD PRO A 64 11.393 6.876 2.680 1.00 73.03 C ATOM 0 HA PRO A 64 11.233 5.976 5.789 1.00 53.14 H new ATOM 0 HB2 PRO A 64 8.728 6.360 4.597 1.00 35.41 H new ATOM 0 HB3 PRO A 64 9.800 7.709 4.916 1.00 35.41 H new ATOM 0 HG2 PRO A 64 9.381 6.193 2.341 1.00 11.14 H new ATOM 0 HG3 PRO A 64 9.516 7.923 2.588 1.00 11.14 H new ATOM 0 HD2 PRO A 64 11.626 6.488 1.688 1.00 73.03 H new ATOM 0 HD3 PRO A 64 11.868 7.854 2.759 1.00 73.03 H new ATOM 995 N GLY A 65 10.146 3.685 3.731 1.00 2.15 N ATOM 996 CA GLY A 65 9.661 2.307 3.709 1.00 4.41 C ATOM 997 C GLY A 65 9.275 1.824 2.312 1.00 40.12 C ATOM 998 O GLY A 65 8.959 2.626 1.433 1.00 52.45 O ATOM 0 H GLY A 65 10.363 4.076 2.814 1.00 2.15 H new ATOM 0 HA2 GLY A 65 10.433 1.651 4.112 1.00 4.41 H new ATOM 0 HA3 GLY A 65 8.796 2.223 4.367 1.00 4.41 H new ATOM 1002 N LEU A 66 9.308 0.507 2.116 1.00 61.04 N ATOM 1003 CA LEU A 66 8.916 -0.121 0.848 1.00 24.52 C ATOM 1004 C LEU A 66 7.988 -1.318 1.113 1.00 72.22 C ATOM 1005 O LEU A 66 8.214 -2.095 2.042 1.00 31.21 O ATOM 1006 CB LEU A 66 10.162 -0.577 0.072 1.00 3.02 C ATOM 1007 CG LEU A 66 11.058 0.553 -0.467 1.00 44.04 C ATOM 1008 CD1 LEU A 66 12.315 -0.020 -1.114 1.00 10.55 C ATOM 1009 CD2 LEU A 66 10.289 1.418 -1.463 1.00 21.32 C ATOM 0 H LEU A 66 9.607 -0.158 2.830 1.00 61.04 H new ATOM 0 HA LEU A 66 8.379 0.612 0.246 1.00 24.52 H new ATOM 0 HB2 LEU A 66 10.762 -1.213 0.723 1.00 3.02 H new ATOM 0 HB3 LEU A 66 9.840 -1.194 -0.767 1.00 3.02 H new ATOM 0 HG LEU A 66 11.360 1.180 0.372 1.00 44.04 H new ATOM 0 HD11 LEU A 66 12.935 0.794 -1.489 1.00 10.55 H new ATOM 0 HD12 LEU A 66 12.876 -0.593 -0.375 1.00 10.55 H new ATOM 0 HD13 LEU A 66 12.034 -0.672 -1.941 1.00 10.55 H new ATOM 0 HD21 LEU A 66 10.938 2.211 -1.833 1.00 21.32 H new ATOM 0 HD22 LEU A 66 9.956 0.802 -2.298 1.00 21.32 H new ATOM 0 HD23 LEU A 66 9.423 1.859 -0.969 1.00 21.32 H new ATOM 1021 N TRP A 67 6.949 -1.469 0.294 1.00 51.41 N ATOM 1022 CA TRP A 67 5.892 -2.456 0.560 1.00 32.25 C ATOM 1023 C TRP A 67 5.826 -3.552 -0.519 1.00 32.40 C ATOM 1024 O TRP A 67 5.672 -3.276 -1.709 1.00 1.15 O ATOM 1025 CB TRP A 67 4.547 -1.732 0.680 1.00 23.01 C ATOM 1026 CG TRP A 67 4.602 -0.584 1.652 1.00 13.24 C ATOM 1027 CD1 TRP A 67 4.716 0.743 1.349 1.00 34.41 C ATOM 1028 CD2 TRP A 67 4.579 -0.666 3.083 1.00 51.14 C ATOM 1029 NE1 TRP A 67 4.756 1.489 2.500 1.00 75.33 N ATOM 1030 CE2 TRP A 67 4.678 0.648 3.578 1.00 11.01 C ATOM 1031 CE3 TRP A 67 4.485 -1.723 3.993 1.00 4.44 C ATOM 1032 CZ2 TRP A 67 4.679 0.933 4.942 1.00 40.41 C ATOM 1033 CZ3 TRP A 67 4.487 -1.440 5.346 1.00 11.32 C ATOM 1034 CH2 TRP A 67 4.588 -0.123 5.810 1.00 60.45 C ATOM 0 H TRP A 67 6.812 -0.925 -0.558 1.00 51.41 H new ATOM 0 HA TRP A 67 6.128 -2.960 1.497 1.00 32.25 H new ATOM 0 HB2 TRP A 67 4.247 -1.361 -0.300 1.00 23.01 H new ATOM 0 HB3 TRP A 67 3.783 -2.440 1.000 1.00 23.01 H new ATOM 0 HD1 TRP A 67 4.767 1.147 0.349 1.00 34.41 H new ATOM 0 HE1 TRP A 67 4.832 2.505 2.545 1.00 75.33 H new ATOM 0 HE3 TRP A 67 4.412 -2.743 3.645 1.00 4.44 H new ATOM 0 HZ2 TRP A 67 4.749 1.949 5.302 1.00 40.41 H new ATOM 0 HZ3 TRP A 67 4.409 -2.249 6.057 1.00 11.32 H new ATOM 0 HH2 TRP A 67 4.594 0.064 6.874 1.00 60.45 H new ATOM 1045 N ARG A 68 5.949 -4.804 -0.081 1.00 63.13 N ATOM 1046 CA ARG A 68 5.911 -5.973 -0.973 1.00 21.21 C ATOM 1047 C ARG A 68 4.891 -7.014 -0.468 1.00 14.05 C ATOM 1048 O ARG A 68 5.087 -7.604 0.587 1.00 44.55 O ATOM 1049 CB ARG A 68 7.319 -6.596 -1.039 1.00 13.20 C ATOM 1050 CG ARG A 68 7.352 -8.037 -1.542 1.00 44.40 C ATOM 1051 CD ARG A 68 8.760 -8.629 -1.487 1.00 54.44 C ATOM 1052 NE ARG A 68 8.741 -10.081 -1.652 1.00 5.00 N ATOM 1053 CZ ARG A 68 9.713 -10.785 -2.160 1.00 30.02 C ATOM 1054 NH1 ARG A 68 10.804 -10.219 -2.570 1.00 73.43 N ATOM 1055 NH2 ARG A 68 9.593 -12.067 -2.239 1.00 1.43 N ATOM 0 H ARG A 68 6.078 -5.042 0.902 1.00 63.13 H new ATOM 0 HA ARG A 68 5.600 -5.655 -1.968 1.00 21.21 H new ATOM 0 HB2 ARG A 68 7.943 -5.983 -1.689 1.00 13.20 H new ATOM 0 HB3 ARG A 68 7.765 -6.561 -0.045 1.00 13.20 H new ATOM 0 HG2 ARG A 68 6.678 -8.647 -0.940 1.00 44.40 H new ATOM 0 HG3 ARG A 68 6.984 -8.072 -2.567 1.00 44.40 H new ATOM 0 HD2 ARG A 68 9.374 -8.182 -2.269 1.00 54.44 H new ATOM 0 HD3 ARG A 68 9.224 -8.377 -0.534 1.00 54.44 H new ATOM 0 HE ARG A 68 7.905 -10.580 -1.347 1.00 5.00 H new ATOM 0 HH11 ARG A 68 10.912 -9.207 -2.498 1.00 73.43 H new ATOM 0 HH12 ARG A 68 11.555 -10.785 -2.965 1.00 73.43 H new ATOM 0 HH21 ARG A 68 8.743 -12.521 -1.905 1.00 1.43 H new ATOM 0 HH22 ARG A 68 10.348 -12.626 -2.635 1.00 1.43 H new ATOM 1069 N LEU A 69 3.807 -7.240 -1.211 1.00 45.22 N ATOM 1070 CA LEU A 69 2.772 -8.192 -0.767 1.00 73.13 C ATOM 1071 C LEU A 69 3.318 -9.629 -0.670 1.00 32.13 C ATOM 1072 O LEU A 69 4.240 -10.007 -1.396 1.00 2.34 O ATOM 1073 CB LEU A 69 1.524 -8.120 -1.677 1.00 65.45 C ATOM 1074 CG LEU A 69 1.744 -8.312 -3.194 1.00 23.32 C ATOM 1075 CD1 LEU A 69 2.020 -9.773 -3.554 1.00 74.31 C ATOM 1076 CD2 LEU A 69 0.539 -7.791 -3.976 1.00 43.23 C ATOM 0 H LEU A 69 3.619 -6.790 -2.107 1.00 45.22 H new ATOM 0 HA LEU A 69 2.469 -7.899 0.238 1.00 73.13 H new ATOM 0 HB2 LEU A 69 0.816 -8.877 -1.340 1.00 65.45 H new ATOM 0 HB3 LEU A 69 1.050 -7.150 -1.524 1.00 65.45 H new ATOM 0 HG LEU A 69 2.627 -7.736 -3.470 1.00 23.32 H new ATOM 0 HD11 LEU A 69 2.168 -9.861 -4.630 1.00 74.31 H new ATOM 0 HD12 LEU A 69 2.917 -10.112 -3.035 1.00 74.31 H new ATOM 0 HD13 LEU A 69 1.172 -10.388 -3.253 1.00 74.31 H new ATOM 0 HD21 LEU A 69 0.709 -7.933 -5.043 1.00 43.23 H new ATOM 0 HD22 LEU A 69 -0.354 -8.338 -3.675 1.00 43.23 H new ATOM 0 HD23 LEU A 69 0.402 -6.730 -3.769 1.00 43.23 H new ATOM 1088 N LEU A 70 2.753 -10.412 0.245 1.00 2.01 N ATOM 1089 CA LEU A 70 3.185 -11.800 0.454 1.00 73.34 C ATOM 1090 C LEU A 70 2.499 -12.759 -0.533 1.00 11.32 C ATOM 1091 O LEU A 70 1.454 -12.439 -1.105 1.00 50.32 O ATOM 1092 CB LEU A 70 2.894 -12.230 1.900 1.00 45.14 C ATOM 1093 CG LEU A 70 3.592 -11.395 2.991 1.00 21.04 C ATOM 1094 CD1 LEU A 70 3.218 -11.900 4.384 1.00 52.31 C ATOM 1095 CD2 LEU A 70 5.109 -11.408 2.796 1.00 3.44 C ATOM 0 H LEU A 70 1.994 -10.113 0.857 1.00 2.01 H new ATOM 0 HA LEU A 70 4.259 -11.848 0.273 1.00 73.34 H new ATOM 0 HB2 LEU A 70 1.817 -12.185 2.065 1.00 45.14 H new ATOM 0 HB3 LEU A 70 3.191 -13.272 2.018 1.00 45.14 H new ATOM 0 HG LEU A 70 3.248 -10.365 2.902 1.00 21.04 H new ATOM 0 HD11 LEU A 70 3.723 -11.295 5.138 1.00 52.31 H new ATOM 0 HD12 LEU A 70 2.139 -11.825 4.521 1.00 52.31 H new ATOM 0 HD13 LEU A 70 3.525 -12.941 4.488 1.00 52.31 H new ATOM 0 HD21 LEU A 70 5.581 -10.812 3.577 1.00 3.44 H new ATOM 0 HD22 LEU A 70 5.474 -12.434 2.851 1.00 3.44 H new ATOM 0 HD23 LEU A 70 5.354 -10.987 1.821 1.00 3.44 H new ATOM 1107 N GLU A 71 3.095 -13.937 -0.716 1.00 70.44 N ATOM 1108 CA GLU A 71 2.573 -14.955 -1.642 1.00 31.44 C ATOM 1109 C GLU A 71 1.166 -15.461 -1.234 1.00 33.22 C ATOM 1110 O GLU A 71 0.193 -15.173 -1.968 1.00 37.63 O ATOM 1111 CB GLU A 71 3.576 -16.120 -1.753 1.00 45.50 C ATOM 1112 CG GLU A 71 3.966 -16.745 -0.413 1.00 30.43 C ATOM 1113 CD GLU A 71 5.202 -17.626 -0.515 1.00 21.30 C ATOM 1114 OE1 GLU A 71 5.089 -18.777 -0.978 1.00 22.02 O ATOM 1115 OE2 GLU A 71 6.301 -17.155 -0.140 1.00 4.31 O ATOM 0 H GLU A 71 3.948 -14.216 -0.232 1.00 70.44 H new ATOM 0 HA GLU A 71 2.457 -14.489 -2.620 1.00 31.44 H new ATOM 0 HB2 GLU A 71 3.147 -16.893 -2.390 1.00 45.50 H new ATOM 0 HB3 GLU A 71 4.478 -15.762 -2.249 1.00 45.50 H new ATOM 0 HG2 GLU A 71 4.148 -15.953 0.314 1.00 30.43 H new ATOM 0 HG3 GLU A 71 3.132 -17.338 -0.037 1.00 30.43 H new TER 1122 GLU A 71