USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 846 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 NoAdj-H: A 55 HIS HD1 : A 55 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 62 LYS NZ :NH3+ -123:sc= -1.33! (180deg=-4.32!) USER MOD Set 1.2: A 65 GLN : amide:sc= 1.05 K(o=-0.27,f=-4!) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.156 USER MOD Set 2.2: A 31 ASN : amide:sc= -0.472 X(o=-0.63,f=-0.33) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0338 (180deg=-0.0248) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 5 SER OG : rot 53:sc= 1.09 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 1.06 (180deg=0.198) USER MOD Single : A 15 TYR OH : rot 57:sc= 0.761 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0236 (180deg=-0.208) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0923 USER MOD Single : A 21 SER OG : rot -130:sc= -0.767 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0668 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 160:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 79:sc= 1.07 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.0275 X(o=-0.027,f=-0.011) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 170:sc= 0 (180deg=-0.0426) USER MOD Single : A 54 ASN : amide:sc= -6.38! C(o=-6.4!,f=-7.6!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc=-0.00603 (180deg=-0.161) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.163 K(o=0.16,f=-0.69) USER MOD Single : A 84 GLN : amide:sc= -4.15! C(o=-4.1!,f=-4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 12:sc= 0.408 USER MOD Single : A 92 SER OG : rot 180:sc= 0.172 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 46:sc= 0.565 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 45:sc= 1.03 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 49:sc= 0.898 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.131 24.226 6.385 1.00 0.00 N ATOM 2 CA GLY A 1 6.954 23.439 7.592 1.00 0.00 C ATOM 3 C GLY A 1 8.130 23.559 8.540 1.00 0.00 C ATOM 4 O GLY A 1 8.873 24.540 8.498 1.00 0.00 O ATOM 0 H1 GLY A 1 6.374 24.936 6.320 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.054 24.705 6.415 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.092 23.601 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.046 23.761 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.814 22.392 7.322 1.00 0.00 H new ATOM 8 N SER A 2 8.300 22.559 9.400 1.00 0.00 N ATOM 9 CA SER A 2 9.391 22.560 10.367 1.00 0.00 C ATOM 10 C SER A 2 10.699 22.990 9.710 1.00 0.00 C ATOM 11 O SER A 2 11.267 22.261 8.897 1.00 0.00 O ATOM 12 CB SER A 2 9.551 21.171 10.988 1.00 0.00 C ATOM 13 OG SER A 2 8.353 20.753 11.618 1.00 0.00 O ATOM 0 H SER A 2 7.696 21.738 9.446 1.00 0.00 H new ATOM 0 HA SER A 2 9.147 23.275 11.152 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.829 20.454 10.216 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.362 21.186 11.716 1.00 0.00 H new ATOM 0 HG SER A 2 8.481 19.862 12.005 1.00 0.00 H new ATOM 19 N SER A 3 11.172 24.179 10.070 1.00 0.00 N ATOM 20 CA SER A 3 12.411 24.709 9.513 1.00 0.00 C ATOM 21 C SER A 3 13.621 24.177 10.276 1.00 0.00 C ATOM 22 O SER A 3 14.556 24.918 10.573 1.00 0.00 O ATOM 23 CB SER A 3 12.400 26.238 9.554 1.00 0.00 C ATOM 24 OG SER A 3 12.552 26.714 10.880 1.00 0.00 O ATOM 0 H SER A 3 10.716 24.793 10.745 1.00 0.00 H new ATOM 0 HA SER A 3 12.484 24.381 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.205 26.627 8.930 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.464 26.609 9.136 1.00 0.00 H new ATOM 0 HG SER A 3 12.543 27.694 10.879 1.00 0.00 H new ATOM 30 N GLY A 4 13.593 22.885 10.590 1.00 0.00 N ATOM 31 CA GLY A 4 14.692 22.275 11.316 1.00 0.00 C ATOM 32 C GLY A 4 15.435 21.247 10.485 1.00 0.00 C ATOM 33 O GLY A 4 15.806 21.514 9.342 1.00 0.00 O ATOM 0 H GLY A 4 12.830 22.251 10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.388 23.051 11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.308 21.800 12.219 1.00 0.00 H new ATOM 37 N SER A 5 15.654 20.070 11.062 1.00 0.00 N ATOM 38 CA SER A 5 16.364 19.000 10.369 1.00 0.00 C ATOM 39 C SER A 5 15.477 17.767 10.222 1.00 0.00 C ATOM 40 O SER A 5 15.443 16.905 11.100 1.00 0.00 O ATOM 41 CB SER A 5 17.643 18.635 11.124 1.00 0.00 C ATOM 42 OG SER A 5 17.346 18.112 12.408 1.00 0.00 O ATOM 0 H SER A 5 15.351 19.833 12.006 1.00 0.00 H new ATOM 0 HA SER A 5 16.628 19.358 9.374 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.210 17.901 10.551 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.274 19.518 11.225 1.00 0.00 H new ATOM 0 HG SER A 5 16.703 17.378 12.321 1.00 0.00 H new ATOM 48 N SER A 6 14.760 17.692 9.105 1.00 0.00 N ATOM 49 CA SER A 6 13.870 16.567 8.843 1.00 0.00 C ATOM 50 C SER A 6 13.490 16.507 7.367 1.00 0.00 C ATOM 51 O SER A 6 13.111 17.514 6.770 1.00 0.00 O ATOM 52 CB SER A 6 12.608 16.677 9.702 1.00 0.00 C ATOM 53 OG SER A 6 12.027 15.403 9.920 1.00 0.00 O ATOM 0 H SER A 6 14.778 18.396 8.368 1.00 0.00 H new ATOM 0 HA SER A 6 14.399 15.650 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.855 17.136 10.659 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.886 17.330 9.212 1.00 0.00 H new ATOM 0 HG SER A 6 11.224 15.500 10.473 1.00 0.00 H new ATOM 59 N GLY A 7 13.596 15.317 6.783 1.00 0.00 N ATOM 60 CA GLY A 7 13.261 15.146 5.381 1.00 0.00 C ATOM 61 C GLY A 7 12.131 14.158 5.171 1.00 0.00 C ATOM 62 O GLY A 7 12.379 12.954 5.180 1.00 0.00 O ATOM 0 H GLY A 7 13.908 14.469 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.980 16.110 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.143 14.805 4.839 1.00 0.00 H new ATOM 66 N HIS A 8 10.924 14.675 4.990 1.00 0.00 N ATOM 67 CA HIS A 8 9.768 13.820 4.782 1.00 0.00 C ATOM 68 C HIS A 8 10.047 12.851 3.631 1.00 0.00 C ATOM 69 O HIS A 8 10.742 13.166 2.665 1.00 0.00 O ATOM 70 CB HIS A 8 8.507 14.657 4.560 1.00 0.00 C ATOM 71 CG HIS A 8 8.070 15.444 5.773 1.00 0.00 C ATOM 72 ND1 HIS A 8 8.663 16.638 6.144 1.00 0.00 N ATOM 73 CD2 HIS A 8 7.094 15.196 6.692 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.063 17.079 7.240 1.00 0.00 C ATOM 75 NE2 HIS A 8 7.091 16.184 7.579 1.00 0.00 N ATOM 0 H HIS A 8 10.722 15.675 4.983 1.00 0.00 H new ATOM 0 HA HIS A 8 9.586 13.224 5.676 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.683 15.348 3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.694 13.997 4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.435 14.341 6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.302 17.988 7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 8 6.466 16.261 8.381 1.00 0.00 H new ATOM 83 N LYS A 9 9.484 11.654 3.756 1.00 0.00 N ATOM 84 CA LYS A 9 9.653 10.619 2.743 1.00 0.00 C ATOM 85 C LYS A 9 8.622 10.774 1.629 1.00 0.00 C ATOM 86 O LYS A 9 7.471 11.145 1.863 1.00 0.00 O ATOM 87 CB LYS A 9 9.530 9.232 3.377 1.00 0.00 C ATOM 88 CG LYS A 9 10.835 8.710 3.954 1.00 0.00 C ATOM 89 CD LYS A 9 10.592 7.801 5.148 1.00 0.00 C ATOM 90 CE LYS A 9 11.819 7.716 6.042 1.00 0.00 C ATOM 91 NZ LYS A 9 12.856 6.809 5.477 1.00 0.00 N ATOM 0 H LYS A 9 8.906 11.377 4.550 1.00 0.00 H new ATOM 0 HA LYS A 9 10.648 10.727 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.781 9.268 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.167 8.529 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.381 8.164 3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.462 9.549 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.746 8.174 5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.325 6.804 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.241 8.712 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.525 7.360 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.795 7.102 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.667 5.833 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.831 6.858 4.438 1.00 0.00 H new ATOM 105 N PRO A 10 9.040 10.482 0.389 1.00 0.00 N ATOM 106 CA PRO A 10 8.168 10.579 -0.785 1.00 0.00 C ATOM 107 C PRO A 10 7.084 9.506 -0.792 1.00 0.00 C ATOM 108 O PRO A 10 5.969 9.741 -1.256 1.00 0.00 O ATOM 109 CB PRO A 10 9.128 10.378 -1.959 1.00 0.00 C ATOM 110 CG PRO A 10 10.258 9.589 -1.393 1.00 0.00 C ATOM 111 CD PRO A 10 10.398 10.034 0.037 1.00 0.00 C ATOM 0 HA PRO A 10 7.630 11.526 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.645 9.846 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.472 11.333 -2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.055 8.520 -1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.178 9.769 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.732 9.220 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.126 10.839 0.138 1.00 0.00 H new ATOM 119 N TRP A 11 7.420 8.330 -0.275 1.00 0.00 N ATOM 120 CA TRP A 11 6.475 7.221 -0.223 1.00 0.00 C ATOM 121 C TRP A 11 6.231 6.781 1.217 1.00 0.00 C ATOM 122 O TRP A 11 7.122 6.871 2.062 1.00 0.00 O ATOM 123 CB TRP A 11 6.994 6.042 -1.047 1.00 0.00 C ATOM 124 CG TRP A 11 7.084 6.337 -2.514 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.144 6.888 -3.176 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.073 6.098 -3.500 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.853 7.007 -4.513 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.589 6.528 -4.738 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.784 5.560 -3.458 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.859 6.437 -5.920 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.061 5.472 -4.631 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.599 5.907 -5.849 1.00 0.00 C ATOM 0 H TRP A 11 8.339 8.120 0.114 1.00 0.00 H new ATOM 0 HA TRP A 11 5.530 7.562 -0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.980 5.757 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.338 5.185 -0.895 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.074 7.186 -2.716 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.477 7.390 -5.223 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.361 5.219 -2.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.272 6.773 -6.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.063 5.060 -4.609 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.008 5.823 -6.749 1.00 0.00 H new ATOM 143 N ARG A 12 5.020 6.307 1.489 1.00 0.00 N ATOM 144 CA ARG A 12 4.659 5.855 2.828 1.00 0.00 C ATOM 145 C ARG A 12 4.184 4.405 2.802 1.00 0.00 C ATOM 146 O ARG A 12 3.670 3.928 1.791 1.00 0.00 O ATOM 147 CB ARG A 12 3.567 6.751 3.415 1.00 0.00 C ATOM 148 CG ARG A 12 2.225 6.613 2.715 1.00 0.00 C ATOM 149 CD ARG A 12 1.073 6.956 3.646 1.00 0.00 C ATOM 150 NE ARG A 12 1.070 8.368 4.017 1.00 0.00 N ATOM 151 CZ ARG A 12 0.482 8.840 5.110 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.148 8.017 5.936 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.523 10.139 5.379 1.00 0.00 N ATOM 0 H ARG A 12 4.272 6.226 0.800 1.00 0.00 H new ATOM 0 HA ARG A 12 5.547 5.917 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.442 6.513 4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.892 7.790 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.198 7.269 1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.107 5.593 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.129 6.707 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.140 6.345 4.546 1.00 0.00 H new ATOM 0 HE ARG A 12 1.546 9.029 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.182 7.018 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.599 8.383 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.007 10.776 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.071 10.500 6.219 1.00 0.00 H new ATOM 167 N ALA A 13 4.360 3.710 3.921 1.00 0.00 N ATOM 168 CA ALA A 13 3.949 2.316 4.028 1.00 0.00 C ATOM 169 C ALA A 13 3.170 2.070 5.316 1.00 0.00 C ATOM 170 O ALA A 13 3.665 2.336 6.410 1.00 0.00 O ATOM 171 CB ALA A 13 5.162 1.401 3.959 1.00 0.00 C ATOM 0 H ALA A 13 4.785 4.090 4.767 1.00 0.00 H new ATOM 0 HA ALA A 13 3.291 2.092 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.840 0.363 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.675 1.548 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.841 1.635 4.779 1.00 0.00 H new ATOM 177 N GLU A 14 1.949 1.563 5.176 1.00 0.00 N ATOM 178 CA GLU A 14 1.102 1.284 6.330 1.00 0.00 C ATOM 179 C GLU A 14 -0.160 0.536 5.910 1.00 0.00 C ATOM 180 O GLU A 14 -0.674 0.733 4.809 1.00 0.00 O ATOM 181 CB GLU A 14 0.725 2.585 7.040 1.00 0.00 C ATOM 182 CG GLU A 14 -0.004 3.576 6.149 1.00 0.00 C ATOM 183 CD GLU A 14 -0.125 4.950 6.779 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.854 5.402 7.409 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.198 5.573 6.642 1.00 0.00 O ATOM 0 H GLU A 14 1.525 1.337 4.276 1.00 0.00 H new ATOM 0 HA GLU A 14 1.665 0.653 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.096 2.351 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.630 3.054 7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.524 3.661 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.000 3.194 5.926 1.00 0.00 H new ATOM 192 N TYR A 15 -0.653 -0.323 6.795 1.00 0.00 N ATOM 193 CA TYR A 15 -1.853 -1.103 6.516 1.00 0.00 C ATOM 194 C TYR A 15 -3.109 -0.264 6.725 1.00 0.00 C ATOM 195 O TYR A 15 -3.277 0.375 7.764 1.00 0.00 O ATOM 196 CB TYR A 15 -1.900 -2.343 7.411 1.00 0.00 C ATOM 197 CG TYR A 15 -0.846 -3.374 7.074 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.074 -4.333 6.095 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.376 -3.389 7.734 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.114 -5.277 5.783 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.342 -4.328 7.428 1.00 0.00 C ATOM 202 CZ TYR A 15 1.092 -5.271 6.452 1.00 0.00 C ATOM 203 OH TYR A 15 2.050 -6.209 6.146 1.00 0.00 O ATOM 0 H TYR A 15 -0.240 -0.497 7.711 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.817 -1.417 5.473 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.777 -2.036 8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.885 -2.803 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.017 -4.341 5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.574 -2.654 8.500 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.307 -6.016 5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.288 -4.324 7.950 1.00 0.00 H new ATOM 0 HH TYR A 15 2.270 -6.153 5.193 1.00 0.00 H new ATOM 213 N ALA A 16 -3.990 -0.271 5.730 1.00 0.00 N ATOM 214 CA ALA A 16 -5.233 0.487 5.804 1.00 0.00 C ATOM 215 C ALA A 16 -6.028 0.118 7.051 1.00 0.00 C ATOM 216 O ALA A 16 -5.916 -0.996 7.564 1.00 0.00 O ATOM 217 CB ALA A 16 -6.069 0.254 4.554 1.00 0.00 C ATOM 0 H ALA A 16 -3.866 -0.793 4.863 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.981 1.546 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.994 0.826 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.508 0.575 3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.304 -0.807 4.466 1.00 0.00 H new ATOM 223 N LYS A 17 -6.830 1.059 7.537 1.00 0.00 N ATOM 224 CA LYS A 17 -7.645 0.833 8.725 1.00 0.00 C ATOM 225 C LYS A 17 -9.124 0.748 8.362 1.00 0.00 C ATOM 226 O LYS A 17 -9.956 0.385 9.192 1.00 0.00 O ATOM 227 CB LYS A 17 -7.422 1.954 9.742 1.00 0.00 C ATOM 228 CG LYS A 17 -6.038 1.941 10.368 1.00 0.00 C ATOM 229 CD LYS A 17 -5.037 2.715 9.526 1.00 0.00 C ATOM 230 CE LYS A 17 -3.711 2.883 10.250 1.00 0.00 C ATOM 231 NZ LYS A 17 -3.832 3.786 11.428 1.00 0.00 N ATOM 0 H LYS A 17 -6.933 1.987 7.126 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.343 -0.116 9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.581 2.915 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.169 1.871 10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.086 2.374 11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.699 0.911 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.874 2.194 8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.446 3.695 9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.349 1.908 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.969 3.284 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.884 4.078 11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.384 4.627 11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.312 3.284 12.202 1.00 0.00 H new ATOM 245 N SER A 18 -9.443 1.085 7.116 1.00 0.00 N ATOM 246 CA SER A 18 -10.822 1.049 6.644 1.00 0.00 C ATOM 247 C SER A 18 -10.875 0.837 5.134 1.00 0.00 C ATOM 248 O SER A 18 -9.874 1.006 4.438 1.00 0.00 O ATOM 249 CB SER A 18 -11.544 2.347 7.013 1.00 0.00 C ATOM 250 OG SER A 18 -11.518 2.564 8.413 1.00 0.00 O ATOM 0 H SER A 18 -8.765 1.386 6.416 1.00 0.00 H new ATOM 0 HA SER A 18 -11.323 0.211 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.073 3.187 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.577 2.303 6.668 1.00 0.00 H new ATOM 0 HG SER A 18 -11.984 3.400 8.623 1.00 0.00 H new ATOM 256 N SER A 19 -12.049 0.465 4.636 1.00 0.00 N ATOM 257 CA SER A 19 -12.233 0.225 3.209 1.00 0.00 C ATOM 258 C SER A 19 -12.901 1.421 2.539 1.00 0.00 C ATOM 259 O SER A 19 -13.669 1.266 1.589 1.00 0.00 O ATOM 260 CB SER A 19 -13.073 -1.034 2.986 1.00 0.00 C ATOM 261 OG SER A 19 -12.711 -2.057 3.898 1.00 0.00 O ATOM 0 H SER A 19 -12.888 0.323 5.199 1.00 0.00 H new ATOM 0 HA SER A 19 -11.250 0.081 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.130 -0.795 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.938 -1.389 1.964 1.00 0.00 H new ATOM 0 HG SER A 19 -13.263 -2.850 3.736 1.00 0.00 H new ATOM 267 N ARG A 20 -12.603 2.615 3.040 1.00 0.00 N ATOM 268 CA ARG A 20 -13.176 3.839 2.492 1.00 0.00 C ATOM 269 C ARG A 20 -12.320 4.373 1.347 1.00 0.00 C ATOM 270 O ARG A 20 -12.842 4.845 0.337 1.00 0.00 O ATOM 271 CB ARG A 20 -13.305 4.901 3.585 1.00 0.00 C ATOM 272 CG ARG A 20 -14.305 4.540 4.671 1.00 0.00 C ATOM 273 CD ARG A 20 -15.728 4.873 4.251 1.00 0.00 C ATOM 274 NE ARG A 20 -16.717 4.186 5.077 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.006 2.895 4.957 1.00 0.00 C ATOM 276 NH1 ARG A 20 -16.383 2.155 4.050 1.00 0.00 N ATOM 277 NH2 ARG A 20 -17.919 2.342 5.746 1.00 0.00 N ATOM 0 H ARG A 20 -11.968 2.761 3.825 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.167 3.605 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.328 5.061 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.602 5.845 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.231 3.476 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.059 5.078 5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.884 5.950 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.872 4.596 3.207 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.213 4.727 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.680 2.577 3.443 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.606 1.164 3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.399 2.908 6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.140 1.351 5.653 1.00 0.00 H new ATOM 291 N SER A 21 -11.004 4.296 1.512 1.00 0.00 N ATOM 292 CA SER A 21 -10.076 4.776 0.495 1.00 0.00 C ATOM 293 C SER A 21 -10.220 3.972 -0.794 1.00 0.00 C ATOM 294 O SER A 21 -10.779 2.876 -0.795 1.00 0.00 O ATOM 295 CB SER A 21 -8.636 4.690 1.005 1.00 0.00 C ATOM 296 OG SER A 21 -8.147 3.362 0.928 1.00 0.00 O ATOM 0 H SER A 21 -10.556 3.906 2.341 1.00 0.00 H new ATOM 0 HA SER A 21 -10.316 5.818 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.998 5.350 0.417 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.591 5.038 2.037 1.00 0.00 H new ATOM 0 HG SER A 21 -7.752 3.109 1.788 1.00 0.00 H new ATOM 302 N SER A 22 -9.711 4.526 -1.889 1.00 0.00 N ATOM 303 CA SER A 22 -9.785 3.864 -3.186 1.00 0.00 C ATOM 304 C SER A 22 -8.540 4.158 -4.019 1.00 0.00 C ATOM 305 O SER A 22 -8.110 5.306 -4.130 1.00 0.00 O ATOM 306 CB SER A 22 -11.036 4.315 -3.942 1.00 0.00 C ATOM 307 OG SER A 22 -12.132 4.483 -3.060 1.00 0.00 O ATOM 0 H SER A 22 -9.243 5.432 -1.904 1.00 0.00 H new ATOM 0 HA SER A 22 -9.840 2.789 -3.014 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.834 5.253 -4.459 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.289 3.579 -4.705 1.00 0.00 H new ATOM 0 HG SER A 22 -12.919 4.773 -3.567 1.00 0.00 H new ATOM 313 N CYS A 23 -7.966 3.111 -4.602 1.00 0.00 N ATOM 314 CA CYS A 23 -6.771 3.254 -5.424 1.00 0.00 C ATOM 315 C CYS A 23 -7.025 4.200 -6.594 1.00 0.00 C ATOM 316 O CYS A 23 -8.172 4.452 -6.966 1.00 0.00 O ATOM 317 CB CYS A 23 -6.320 1.889 -5.947 1.00 0.00 C ATOM 318 SG CYS A 23 -4.744 1.926 -6.861 1.00 0.00 S ATOM 0 H CYS A 23 -8.309 2.154 -4.520 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.982 3.677 -4.802 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.223 1.203 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.096 1.487 -6.598 1.00 0.00 H new ATOM 323 N LYS A 24 -5.948 4.722 -7.171 1.00 0.00 N ATOM 324 CA LYS A 24 -6.052 5.639 -8.300 1.00 0.00 C ATOM 325 C LYS A 24 -5.555 4.981 -9.583 1.00 0.00 C ATOM 326 O LYS A 24 -5.964 5.354 -10.683 1.00 0.00 O ATOM 327 CB LYS A 24 -5.250 6.913 -8.023 1.00 0.00 C ATOM 328 CG LYS A 24 -5.685 7.644 -6.765 1.00 0.00 C ATOM 329 CD LYS A 24 -6.773 8.663 -7.060 1.00 0.00 C ATOM 330 CE LYS A 24 -6.186 9.991 -7.513 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.247 10.988 -7.826 1.00 0.00 N ATOM 0 H LYS A 24 -4.992 4.525 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.103 5.899 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.194 6.656 -7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.346 7.585 -8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.049 6.924 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.826 8.146 -6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.436 8.275 -7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.379 8.818 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.536 10.386 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.565 9.832 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.807 11.879 -8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.853 10.623 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.824 11.159 -6.978 1.00 0.00 H new ATOM 345 N THR A 25 -4.671 4.000 -9.435 1.00 0.00 N ATOM 346 CA THR A 25 -4.118 3.290 -10.582 1.00 0.00 C ATOM 347 C THR A 25 -5.138 2.324 -11.175 1.00 0.00 C ATOM 348 O THR A 25 -5.113 2.036 -12.372 1.00 0.00 O ATOM 349 CB THR A 25 -2.848 2.506 -10.200 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.729 3.396 -10.121 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.562 1.411 -11.215 1.00 0.00 C ATOM 0 H THR A 25 -4.322 3.679 -8.532 1.00 0.00 H new ATOM 0 HA THR A 25 -3.860 4.044 -11.325 1.00 0.00 H new ATOM 0 HB THR A 25 -3.012 2.042 -9.227 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.020 2.984 -9.584 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.661 0.871 -10.924 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.404 0.719 -11.251 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.416 1.856 -12.199 1.00 0.00 H new ATOM 359 N CYS A 26 -6.035 1.827 -10.330 1.00 0.00 N ATOM 360 CA CYS A 26 -7.065 0.893 -10.770 1.00 0.00 C ATOM 361 C CYS A 26 -8.456 1.415 -10.423 1.00 0.00 C ATOM 362 O CYS A 26 -9.467 0.849 -10.842 1.00 0.00 O ATOM 363 CB CYS A 26 -6.848 -0.478 -10.127 1.00 0.00 C ATOM 364 SG CYS A 26 -7.057 -0.492 -8.317 1.00 0.00 S ATOM 0 H CYS A 26 -6.070 2.055 -9.337 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.992 0.794 -11.853 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.547 -1.189 -10.568 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.844 -0.826 -10.369 1.00 0.00 H new ATOM 369 N LYS A 27 -8.501 2.498 -9.654 1.00 0.00 N ATOM 370 CA LYS A 27 -9.767 3.099 -9.251 1.00 0.00 C ATOM 371 C LYS A 27 -10.628 2.095 -8.491 1.00 0.00 C ATOM 372 O LYS A 27 -11.844 2.042 -8.675 1.00 0.00 O ATOM 373 CB LYS A 27 -10.525 3.612 -10.477 1.00 0.00 C ATOM 374 CG LYS A 27 -9.781 4.691 -11.245 1.00 0.00 C ATOM 375 CD LYS A 27 -8.901 4.095 -12.332 1.00 0.00 C ATOM 376 CE LYS A 27 -9.706 3.755 -13.576 1.00 0.00 C ATOM 377 NZ LYS A 27 -8.837 3.274 -14.686 1.00 0.00 N ATOM 0 H LYS A 27 -7.675 2.978 -9.297 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.548 3.938 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.726 2.775 -11.146 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.491 4.005 -10.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.497 5.380 -11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.167 5.272 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.111 4.801 -12.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.414 3.195 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.443 2.989 -13.334 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.258 4.636 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.424 3.053 -15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.150 4.014 -14.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.329 2.418 -14.383 1.00 0.00 H new ATOM 391 N SER A 28 -9.990 1.302 -7.637 1.00 0.00 N ATOM 392 CA SER A 28 -10.698 0.298 -6.851 1.00 0.00 C ATOM 393 C SER A 28 -10.668 0.650 -5.366 1.00 0.00 C ATOM 394 O SER A 28 -10.029 1.620 -4.959 1.00 0.00 O ATOM 395 CB SER A 28 -10.079 -1.083 -7.072 1.00 0.00 C ATOM 396 OG SER A 28 -9.786 -1.298 -8.441 1.00 0.00 O ATOM 0 H SER A 28 -8.984 1.335 -7.471 1.00 0.00 H new ATOM 0 HA SER A 28 -11.737 0.280 -7.181 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.166 -1.174 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.765 -1.853 -6.719 1.00 0.00 H new ATOM 0 HG SER A 28 -8.952 -0.838 -8.673 1.00 0.00 H new ATOM 402 N VAL A 29 -11.365 -0.146 -4.562 1.00 0.00 N ATOM 403 CA VAL A 29 -11.419 0.079 -3.122 1.00 0.00 C ATOM 404 C VAL A 29 -10.284 -0.648 -2.410 1.00 0.00 C ATOM 405 O VAL A 29 -9.974 -1.796 -2.727 1.00 0.00 O ATOM 406 CB VAL A 29 -12.763 -0.386 -2.531 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.581 -0.859 -1.097 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.792 0.732 -2.606 1.00 0.00 C ATOM 0 H VAL A 29 -11.900 -0.953 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.314 1.153 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.129 -1.226 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.541 -1.184 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.878 -1.692 -1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.193 -0.041 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.736 0.387 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.435 1.593 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.943 1.018 -3.647 1.00 0.00 H new ATOM 418 N ILE A 30 -9.669 0.029 -1.446 1.00 0.00 N ATOM 419 CA ILE A 30 -8.569 -0.554 -0.687 1.00 0.00 C ATOM 420 C ILE A 30 -9.030 -0.994 0.699 1.00 0.00 C ATOM 421 O ILE A 30 -8.965 -0.227 1.658 1.00 0.00 O ATOM 422 CB ILE A 30 -7.401 0.439 -0.536 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.885 0.866 -1.911 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.282 -0.181 0.287 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.106 2.162 -1.888 1.00 0.00 C ATOM 0 H ILE A 30 -9.913 0.981 -1.172 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.226 -1.424 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.762 1.325 -0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.250 0.077 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.731 0.972 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.464 0.533 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.658 -0.439 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.921 -1.081 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.771 2.403 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.744 2.964 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.240 2.055 -1.234 1.00 0.00 H new ATOM 437 N ASN A 31 -9.494 -2.236 0.795 1.00 0.00 N ATOM 438 CA ASN A 31 -9.965 -2.780 2.064 1.00 0.00 C ATOM 439 C ASN A 31 -8.871 -2.707 3.125 1.00 0.00 C ATOM 440 O ASN A 31 -7.683 -2.802 2.817 1.00 0.00 O ATOM 441 CB ASN A 31 -10.421 -4.229 1.883 1.00 0.00 C ATOM 442 CG ASN A 31 -11.274 -4.416 0.643 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.864 -5.079 -0.311 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.466 -3.832 0.651 1.00 0.00 N ATOM 0 H ASN A 31 -9.554 -2.884 0.010 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.811 -2.180 2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.547 -4.877 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.987 -4.541 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.084 -3.923 -0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.764 -3.292 1.464 1.00 0.00 H new ATOM 451 N LYS A 32 -9.281 -2.540 4.378 1.00 0.00 N ATOM 452 CA LYS A 32 -8.339 -2.457 5.487 1.00 0.00 C ATOM 453 C LYS A 32 -7.563 -3.761 5.641 1.00 0.00 C ATOM 454 O LYS A 32 -7.970 -4.800 5.123 1.00 0.00 O ATOM 455 CB LYS A 32 -9.077 -2.134 6.788 1.00 0.00 C ATOM 456 CG LYS A 32 -9.708 -3.349 7.447 1.00 0.00 C ATOM 457 CD LYS A 32 -11.056 -3.012 8.062 1.00 0.00 C ATOM 458 CE LYS A 32 -10.914 -2.583 9.515 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.215 -2.149 10.095 1.00 0.00 N ATOM 0 H LYS A 32 -10.261 -2.459 4.651 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.631 -1.657 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.379 -1.673 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.854 -1.398 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.832 -4.141 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.041 -3.733 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.529 -2.213 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.713 -3.880 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.513 -3.411 10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.195 -1.766 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.076 -1.865 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.585 -1.343 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.894 -2.936 10.053 1.00 0.00 H new ATOM 473 N GLU A 33 -6.445 -3.699 6.357 1.00 0.00 N ATOM 474 CA GLU A 33 -5.613 -4.876 6.579 1.00 0.00 C ATOM 475 C GLU A 33 -4.866 -5.262 5.305 1.00 0.00 C ATOM 476 O GLU A 33 -4.493 -6.419 5.119 1.00 0.00 O ATOM 477 CB GLU A 33 -6.470 -6.050 7.056 1.00 0.00 C ATOM 478 CG GLU A 33 -7.561 -5.650 8.035 1.00 0.00 C ATOM 479 CD GLU A 33 -7.853 -6.731 9.058 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.837 -7.922 8.683 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.098 -6.385 10.232 1.00 0.00 O ATOM 0 H GLU A 33 -6.094 -2.846 6.793 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.881 -4.633 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.928 -6.529 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.825 -6.792 7.527 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.264 -4.737 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.473 -5.421 7.483 1.00 0.00 H new ATOM 488 N ASN A 34 -4.653 -4.283 4.432 1.00 0.00 N ATOM 489 CA ASN A 34 -3.952 -4.520 3.175 1.00 0.00 C ATOM 490 C ASN A 34 -2.741 -3.600 3.046 1.00 0.00 C ATOM 491 O ASN A 34 -2.770 -2.452 3.491 1.00 0.00 O ATOM 492 CB ASN A 34 -4.897 -4.306 1.992 1.00 0.00 C ATOM 493 CG ASN A 34 -5.663 -5.564 1.629 1.00 0.00 C ATOM 494 OD1 ASN A 34 -5.172 -6.678 1.814 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.872 -5.391 1.109 1.00 0.00 N ATOM 0 H ASN A 34 -4.955 -3.319 4.571 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.604 -5.553 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.603 -3.511 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.323 -3.971 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.434 -6.200 0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.239 -4.449 0.974 1.00 0.00 H new ATOM 502 N PHE A 35 -1.679 -4.111 2.433 1.00 0.00 N ATOM 503 CA PHE A 35 -0.458 -3.336 2.245 1.00 0.00 C ATOM 504 C PHE A 35 -0.583 -2.409 1.040 1.00 0.00 C ATOM 505 O PHE A 35 -0.523 -2.852 -0.107 1.00 0.00 O ATOM 506 CB PHE A 35 0.740 -4.270 2.063 1.00 0.00 C ATOM 507 CG PHE A 35 1.945 -3.591 1.475 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.150 -2.233 1.661 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.871 -4.310 0.738 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.258 -1.606 1.122 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.980 -3.688 0.197 1.00 0.00 C ATOM 512 CZ PHE A 35 4.173 -2.334 0.388 1.00 0.00 C ATOM 0 H PHE A 35 -1.639 -5.059 2.058 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.303 -2.726 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.008 -4.696 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.449 -5.100 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.437 -1.658 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.725 -5.369 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.408 -0.547 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.695 -4.260 -0.375 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.038 -1.846 -0.036 1.00 0.00 H new ATOM 522 N ARG A 36 -0.758 -1.119 1.309 1.00 0.00 N ATOM 523 CA ARG A 36 -0.893 -0.129 0.248 1.00 0.00 C ATOM 524 C ARG A 36 0.274 0.854 0.269 1.00 0.00 C ATOM 525 O ARG A 36 1.189 0.731 1.085 1.00 0.00 O ATOM 526 CB ARG A 36 -2.214 0.629 0.394 1.00 0.00 C ATOM 527 CG ARG A 36 -2.392 1.288 1.752 1.00 0.00 C ATOM 528 CD ARG A 36 -3.543 2.282 1.742 1.00 0.00 C ATOM 529 NE ARG A 36 -3.591 3.074 2.968 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.513 4.001 3.208 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.457 4.249 2.311 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.491 4.680 4.347 1.00 0.00 N ATOM 0 H ARG A 36 -0.810 -0.736 2.253 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.886 -0.654 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.272 1.393 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.040 -0.062 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.576 0.524 2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.471 1.799 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.441 2.947 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.484 1.746 1.619 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.879 2.907 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.477 3.728 1.434 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.163 4.961 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.766 4.491 5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.199 5.391 4.531 1.00 0.00 H new ATOM 546 N LEU A 37 0.237 1.829 -0.633 1.00 0.00 N ATOM 547 CA LEU A 37 1.292 2.833 -0.718 1.00 0.00 C ATOM 548 C LEU A 37 0.708 4.211 -1.011 1.00 0.00 C ATOM 549 O LEU A 37 -0.197 4.352 -1.833 1.00 0.00 O ATOM 550 CB LEU A 37 2.299 2.451 -1.804 1.00 0.00 C ATOM 551 CG LEU A 37 3.241 1.295 -1.469 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.124 0.962 -2.662 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.091 1.634 -0.253 1.00 0.00 C ATOM 0 H LEU A 37 -0.512 1.946 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 37 1.803 2.872 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.748 2.194 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.902 3.329 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 37 2.638 0.418 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.788 0.137 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.500 0.675 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.718 1.836 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.755 0.799 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.684 2.525 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.443 1.821 0.603 1.00 0.00 H new ATOM 565 N GLY A 38 1.235 5.227 -0.334 1.00 0.00 N ATOM 566 CA GLY A 38 0.756 6.582 -0.537 1.00 0.00 C ATOM 567 C GLY A 38 1.859 7.528 -0.971 1.00 0.00 C ATOM 568 O GLY A 38 2.704 7.919 -0.166 1.00 0.00 O ATOM 0 H GLY A 38 1.985 5.136 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.031 6.577 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.310 6.949 0.387 1.00 0.00 H new ATOM 572 N LYS A 39 1.852 7.897 -2.248 1.00 0.00 N ATOM 573 CA LYS A 39 2.858 8.802 -2.788 1.00 0.00 C ATOM 574 C LYS A 39 2.598 10.236 -2.338 1.00 0.00 C ATOM 575 O LYS A 39 1.655 10.881 -2.798 1.00 0.00 O ATOM 576 CB LYS A 39 2.870 8.731 -4.317 1.00 0.00 C ATOM 577 CG LYS A 39 3.984 9.541 -4.955 1.00 0.00 C ATOM 578 CD LYS A 39 4.101 9.254 -6.443 1.00 0.00 C ATOM 579 CE LYS A 39 5.479 9.615 -6.974 1.00 0.00 C ATOM 580 NZ LYS A 39 5.437 9.997 -8.413 1.00 0.00 N ATOM 0 H LYS A 39 1.160 7.582 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 39 3.831 8.491 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.968 7.690 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.912 9.085 -4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.796 10.604 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.929 9.311 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.904 8.198 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.342 9.819 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.888 10.440 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.152 8.768 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.396 10.236 -8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.071 9.201 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.815 10.821 -8.535 1.00 0.00 H new ATOM 594 N LEU A 40 3.440 10.731 -1.437 1.00 0.00 N ATOM 595 CA LEU A 40 3.302 12.090 -0.926 1.00 0.00 C ATOM 596 C LEU A 40 3.893 13.102 -1.903 1.00 0.00 C ATOM 597 O LEU A 40 5.093 13.088 -2.177 1.00 0.00 O ATOM 598 CB LEU A 40 3.990 12.216 0.435 1.00 0.00 C ATOM 599 CG LEU A 40 3.698 11.102 1.440 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.616 11.218 2.647 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.239 11.141 1.871 1.00 0.00 C ATOM 0 H LEU A 40 4.225 10.211 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 40 2.239 12.302 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.067 12.258 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.697 13.166 0.881 1.00 0.00 H new ATOM 0 HG LEU A 40 3.887 10.144 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.394 10.417 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.654 11.139 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.459 12.181 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.049 10.341 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.023 12.103 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.598 11.008 0.999 1.00 0.00 H new ATOM 613 N VAL A 41 3.042 13.981 -2.423 1.00 0.00 N ATOM 614 CA VAL A 41 3.480 15.002 -3.367 1.00 0.00 C ATOM 615 C VAL A 41 3.144 16.400 -2.858 1.00 0.00 C ATOM 616 O VAL A 41 2.089 16.617 -2.262 1.00 0.00 O ATOM 617 CB VAL A 41 2.834 14.802 -4.750 1.00 0.00 C ATOM 618 CG1 VAL A 41 3.281 13.484 -5.363 1.00 0.00 C ATOM 619 CG2 VAL A 41 1.317 14.863 -4.644 1.00 0.00 C ATOM 0 H VAL A 41 2.046 14.006 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 41 4.561 14.903 -3.462 1.00 0.00 H new ATOM 0 HB VAL A 41 3.162 15.609 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.814 13.360 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.365 13.485 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.985 12.661 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.877 14.720 -5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.967 14.078 -3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.018 15.835 -4.252 1.00 0.00 H new ATOM 629 N GLN A 42 4.047 17.344 -3.099 1.00 0.00 N ATOM 630 CA GLN A 42 3.846 18.722 -2.665 1.00 0.00 C ATOM 631 C GLN A 42 3.089 19.520 -3.721 1.00 0.00 C ATOM 632 O GLN A 42 3.549 19.662 -4.854 1.00 0.00 O ATOM 633 CB GLN A 42 5.192 19.388 -2.373 1.00 0.00 C ATOM 634 CG GLN A 42 5.971 18.720 -1.252 1.00 0.00 C ATOM 635 CD GLN A 42 6.982 19.648 -0.610 1.00 0.00 C ATOM 636 OE1 GLN A 42 8.160 19.648 -0.971 1.00 0.00 O ATOM 637 NE2 GLN A 42 6.528 20.447 0.348 1.00 0.00 N ATOM 0 H GLN A 42 4.925 17.181 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 42 3.251 18.706 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.797 19.379 -3.280 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.022 20.433 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.275 18.366 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.486 17.844 -1.645 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.544 20.414 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.163 21.094 0.816 1.00 0.00 H new ATOM 646 N SER A 43 1.925 20.039 -3.342 1.00 0.00 N ATOM 647 CA SER A 43 1.102 20.819 -4.258 1.00 0.00 C ATOM 648 C SER A 43 0.869 22.226 -3.715 1.00 0.00 C ATOM 649 O SER A 43 1.173 22.516 -2.557 1.00 0.00 O ATOM 650 CB SER A 43 -0.240 20.122 -4.492 1.00 0.00 C ATOM 651 OG SER A 43 -0.119 19.095 -5.460 1.00 0.00 O ATOM 0 H SER A 43 1.531 19.933 -2.407 1.00 0.00 H new ATOM 0 HA SER A 43 1.633 20.897 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.603 19.701 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.980 20.852 -4.822 1.00 0.00 H new ATOM 0 HG SER A 43 -0.989 18.664 -5.590 1.00 0.00 H new ATOM 657 N THR A 44 0.326 23.098 -4.559 1.00 0.00 N ATOM 658 CA THR A 44 0.053 24.474 -4.166 1.00 0.00 C ATOM 659 C THR A 44 -0.663 24.530 -2.822 1.00 0.00 C ATOM 660 O THR A 44 -0.294 25.345 -1.977 1.00 0.00 O ATOM 661 CB THR A 44 -0.802 25.201 -5.221 1.00 0.00 C ATOM 662 OG1 THR A 44 -0.167 25.126 -6.502 1.00 0.00 O ATOM 663 CG2 THR A 44 -1.013 26.658 -4.837 1.00 0.00 C ATOM 0 H THR A 44 0.067 22.875 -5.520 1.00 0.00 H new ATOM 0 HA THR A 44 1.017 24.976 -4.082 1.00 0.00 H new ATOM 0 HB THR A 44 -1.774 24.711 -5.269 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.717 25.589 -7.168 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.619 27.150 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.523 26.711 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.047 27.158 -4.763 1.00 0.00 H new ATOM 671 N HIS A 45 -1.659 23.673 -2.653 1.00 0.00 N ATOM 672 CA HIS A 45 -2.412 23.636 -1.411 1.00 0.00 C ATOM 673 C HIS A 45 -1.469 23.323 -0.248 1.00 0.00 C ATOM 674 O HIS A 45 -1.176 22.168 0.062 1.00 0.00 O ATOM 675 CB HIS A 45 -3.578 22.650 -1.512 1.00 0.00 C ATOM 676 CG HIS A 45 -4.562 22.744 -0.370 1.00 0.00 C ATOM 677 ND1 HIS A 45 -5.830 23.279 -0.516 1.00 0.00 N ATOM 678 CD2 HIS A 45 -4.451 22.365 0.936 1.00 0.00 C ATOM 679 CE1 HIS A 45 -6.446 23.220 0.656 1.00 0.00 C ATOM 680 NE2 HIS A 45 -5.589 22.654 1.554 1.00 0.00 N ATOM 0 H HIS A 45 -1.962 22.999 -3.356 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.855 24.614 -1.220 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.107 22.823 -2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.180 21.636 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.584 21.908 1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.450 23.560 0.864 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.790 22.481 2.539 1.00 0.00 H new ATOM 688 N PHE A 46 -0.997 24.386 0.394 1.00 0.00 N ATOM 689 CA PHE A 46 -0.086 24.253 1.525 1.00 0.00 C ATOM 690 C PHE A 46 -0.831 23.789 2.773 1.00 0.00 C ATOM 691 O PHE A 46 -2.038 23.995 2.901 1.00 0.00 O ATOM 692 CB PHE A 46 0.615 25.586 1.802 1.00 0.00 C ATOM 693 CG PHE A 46 1.785 25.465 2.736 1.00 0.00 C ATOM 694 CD1 PHE A 46 3.020 25.046 2.269 1.00 0.00 C ATOM 695 CD2 PHE A 46 1.649 25.772 4.080 1.00 0.00 C ATOM 696 CE1 PHE A 46 4.098 24.934 3.127 1.00 0.00 C ATOM 697 CE2 PHE A 46 2.724 25.661 4.942 1.00 0.00 C ATOM 698 CZ PHE A 46 3.950 25.243 4.465 1.00 0.00 C ATOM 0 H PHE A 46 -1.230 25.349 0.151 1.00 0.00 H new ATOM 0 HA PHE A 46 0.662 23.502 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.956 26.011 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.106 26.286 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.142 24.804 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.693 26.102 4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.056 24.605 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.605 25.901 5.988 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.792 25.158 5.136 1.00 0.00 H new ATOM 708 N ASP A 47 -0.103 23.161 3.690 1.00 0.00 N ATOM 709 CA ASP A 47 -0.694 22.667 4.928 1.00 0.00 C ATOM 710 C ASP A 47 -1.802 21.660 4.638 1.00 0.00 C ATOM 711 O ASP A 47 -2.841 21.657 5.296 1.00 0.00 O ATOM 712 CB ASP A 47 -1.248 23.830 5.753 1.00 0.00 C ATOM 713 CG ASP A 47 -0.207 24.434 6.674 1.00 0.00 C ATOM 714 OD1 ASP A 47 0.759 23.725 7.023 1.00 0.00 O ATOM 715 OD2 ASP A 47 -0.359 25.617 7.048 1.00 0.00 O ATOM 0 H ASP A 47 0.897 22.982 3.599 1.00 0.00 H new ATOM 0 HA ASP A 47 0.087 22.165 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.625 24.601 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.094 23.481 6.345 1.00 0.00 H new ATOM 720 N GLY A 48 -1.573 20.804 3.646 1.00 0.00 N ATOM 721 CA GLY A 48 -2.561 19.805 3.285 1.00 0.00 C ATOM 722 C GLY A 48 -2.115 18.943 2.120 1.00 0.00 C ATOM 723 O GLY A 48 -2.625 19.080 1.007 1.00 0.00 O ATOM 0 H GLY A 48 -0.721 20.785 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.762 19.169 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.497 20.301 3.029 1.00 0.00 H new ATOM 727 N ILE A 49 -1.160 18.055 2.374 1.00 0.00 N ATOM 728 CA ILE A 49 -0.646 17.169 1.338 1.00 0.00 C ATOM 729 C ILE A 49 -1.677 16.113 0.956 1.00 0.00 C ATOM 730 O ILE A 49 -2.415 15.615 1.806 1.00 0.00 O ATOM 731 CB ILE A 49 0.649 16.467 1.788 1.00 0.00 C ATOM 732 CG1 ILE A 49 1.737 17.499 2.089 1.00 0.00 C ATOM 733 CG2 ILE A 49 1.119 15.488 0.723 1.00 0.00 C ATOM 734 CD1 ILE A 49 2.802 16.996 3.038 1.00 0.00 C ATOM 0 H ILE A 49 -0.727 17.930 3.289 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.429 17.792 0.470 1.00 0.00 H new ATOM 0 HB ILE A 49 0.443 15.908 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.209 17.801 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.274 18.389 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.035 15.000 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.348 14.736 0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.311 16.025 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.540 17.781 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.343 16.721 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.292 16.123 2.606 1.00 0.00 H new ATOM 746 N MET A 50 -1.721 15.774 -0.329 1.00 0.00 N ATOM 747 CA MET A 50 -2.661 14.774 -0.823 1.00 0.00 C ATOM 748 C MET A 50 -1.964 13.435 -1.042 1.00 0.00 C ATOM 749 O MET A 50 -1.296 13.213 -2.052 1.00 0.00 O ATOM 750 CB MET A 50 -3.302 15.247 -2.129 1.00 0.00 C ATOM 751 CG MET A 50 -4.586 14.512 -2.477 1.00 0.00 C ATOM 752 SD MET A 50 -5.514 15.319 -3.796 1.00 0.00 S ATOM 753 CE MET A 50 -7.196 15.011 -3.263 1.00 0.00 C ATOM 0 H MET A 50 -1.117 16.177 -1.046 1.00 0.00 H new ATOM 0 HA MET A 50 -3.439 14.641 -0.072 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.512 16.314 -2.055 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.588 15.118 -2.942 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.346 13.492 -2.779 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.212 14.442 -1.588 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.891 15.451 -3.979 1.00 0.00 H new ATOM 0 HE2 MET A 50 -7.368 13.936 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.354 15.458 -2.282 1.00 0.00 H new ATOM 763 N PRO A 51 -2.121 12.520 -0.074 1.00 0.00 N ATOM 764 CA PRO A 51 -1.514 11.187 -0.138 1.00 0.00 C ATOM 765 C PRO A 51 -2.156 10.309 -1.207 1.00 0.00 C ATOM 766 O PRO A 51 -3.242 9.766 -1.008 1.00 0.00 O ATOM 767 CB PRO A 51 -1.776 10.610 1.255 1.00 0.00 C ATOM 768 CG PRO A 51 -2.984 11.333 1.744 1.00 0.00 C ATOM 769 CD PRO A 51 -2.903 12.716 1.158 1.00 0.00 C ATOM 0 HA PRO A 51 -0.458 11.233 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.949 9.535 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.924 10.770 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.896 10.828 1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.002 11.371 2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.892 13.121 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.413 13.412 1.838 1.00 0.00 H new ATOM 777 N MET A 52 -1.477 10.174 -2.342 1.00 0.00 N ATOM 778 CA MET A 52 -1.982 9.361 -3.442 1.00 0.00 C ATOM 779 C MET A 52 -2.030 7.887 -3.050 1.00 0.00 C ATOM 780 O MET A 52 -1.028 7.178 -3.141 1.00 0.00 O ATOM 781 CB MET A 52 -1.105 9.542 -4.682 1.00 0.00 C ATOM 782 CG MET A 52 -1.090 10.966 -5.213 1.00 0.00 C ATOM 783 SD MET A 52 -2.369 11.260 -6.450 1.00 0.00 S ATOM 784 CE MET A 52 -3.582 12.149 -5.477 1.00 0.00 C ATOM 0 H MET A 52 -0.576 10.617 -2.524 1.00 0.00 H new ATOM 0 HA MET A 52 -2.995 9.692 -3.671 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.085 9.241 -4.443 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.458 8.874 -5.467 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.226 11.660 -4.384 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.113 11.177 -5.649 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.350 12.555 -6.136 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.042 11.469 -4.760 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.094 12.964 -4.943 1.00 0.00 H new ATOM 794 N TRP A 53 -3.200 7.434 -2.615 1.00 0.00 N ATOM 795 CA TRP A 53 -3.378 6.044 -2.209 1.00 0.00 C ATOM 796 C TRP A 53 -3.376 5.119 -3.420 1.00 0.00 C ATOM 797 O TRP A 53 -4.096 5.350 -4.391 1.00 0.00 O ATOM 798 CB TRP A 53 -4.684 5.882 -1.430 1.00 0.00 C ATOM 799 CG TRP A 53 -4.664 6.554 -0.090 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.586 7.434 0.399 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.671 6.401 0.930 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.226 7.838 1.663 1.00 0.00 N ATOM 803 CE2 TRP A 53 -4.056 7.218 2.012 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.496 5.652 1.037 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.306 7.306 3.182 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.753 5.741 2.199 1.00 0.00 C ATOM 807 CH2 TRP A 53 -2.160 6.562 3.259 1.00 0.00 C ATOM 0 H TRP A 53 -4.039 8.008 -2.534 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.543 5.770 -1.565 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.504 6.290 -2.021 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.888 4.820 -1.293 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.468 7.764 -0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.746 8.493 2.246 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.174 5.015 0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.618 7.939 4.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.843 5.168 2.292 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.558 6.609 4.154 1.00 0.00 H new ATOM 818 N ASN A 54 -2.562 4.070 -3.357 1.00 0.00 N ATOM 819 CA ASN A 54 -2.467 3.109 -4.451 1.00 0.00 C ATOM 820 C ASN A 54 -1.956 1.762 -3.949 1.00 0.00 C ATOM 821 O ASN A 54 -0.941 1.724 -3.255 1.00 0.00 O ATOM 822 CB ASN A 54 -1.543 3.642 -5.547 1.00 0.00 C ATOM 823 CG ASN A 54 -1.816 5.097 -5.877 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.769 5.415 -6.589 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.979 5.989 -5.360 1.00 0.00 N ATOM 0 H ASN A 54 -1.959 3.864 -2.561 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.465 2.967 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.506 3.533 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.666 3.039 -6.447 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.113 6.983 -5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.202 5.681 -4.775 1.00 0.00 H new ATOM 832 N HIS A 55 -2.661 0.699 -4.307 1.00 0.00 N ATOM 833 CA HIS A 55 -2.267 -0.635 -3.887 1.00 0.00 C ATOM 834 C HIS A 55 -0.758 -0.808 -4.074 1.00 0.00 C ATOM 835 O HIS A 55 -0.177 -0.414 -5.084 1.00 0.00 O ATOM 836 CB HIS A 55 -3.081 -1.699 -4.626 1.00 0.00 C ATOM 837 CG HIS A 55 -4.566 -1.634 -4.356 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.469 -1.100 -5.258 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.294 -2.042 -3.277 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.683 -1.187 -4.735 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.573 -1.770 -3.507 1.00 0.00 N ATOM 0 H HIS A 55 -3.502 0.734 -4.883 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.484 -0.765 -2.827 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.912 -1.592 -5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.713 -2.685 -4.342 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.897 -2.507 -2.387 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.599 -0.854 -5.200 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.346 -1.965 -2.870 1.00 0.00 H new ATOM 849 N ALA A 56 -0.134 -1.410 -3.067 1.00 0.00 N ATOM 850 CA ALA A 56 1.304 -1.651 -3.095 1.00 0.00 C ATOM 851 C ALA A 56 1.705 -2.437 -4.338 1.00 0.00 C ATOM 852 O ALA A 56 2.879 -2.480 -4.706 1.00 0.00 O ATOM 853 CB ALA A 56 1.740 -2.388 -1.838 1.00 0.00 C ATOM 0 H ALA A 56 -0.601 -1.740 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 56 1.809 -0.685 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.816 -2.561 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.497 -1.787 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.220 -3.344 -1.778 1.00 0.00 H new ATOM 859 N SER A 57 0.723 -3.060 -4.982 1.00 0.00 N ATOM 860 CA SER A 57 0.975 -3.849 -6.182 1.00 0.00 C ATOM 861 C SER A 57 0.661 -3.043 -7.438 1.00 0.00 C ATOM 862 O SER A 57 1.125 -3.369 -8.531 1.00 0.00 O ATOM 863 CB SER A 57 0.137 -5.129 -6.161 1.00 0.00 C ATOM 864 OG SER A 57 0.201 -5.801 -7.407 1.00 0.00 O ATOM 0 H SER A 57 -0.255 -3.033 -4.693 1.00 0.00 H new ATOM 0 HA SER A 57 2.032 -4.115 -6.197 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.494 -5.788 -5.370 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.900 -4.885 -5.929 1.00 0.00 H new ATOM 0 HG SER A 57 -0.341 -6.616 -7.367 1.00 0.00 H new ATOM 870 N CYS A 58 -0.130 -1.988 -7.274 1.00 0.00 N ATOM 871 CA CYS A 58 -0.507 -1.133 -8.393 1.00 0.00 C ATOM 872 C CYS A 58 0.609 -0.147 -8.726 1.00 0.00 C ATOM 873 O CYS A 58 0.698 0.351 -9.849 1.00 0.00 O ATOM 874 CB CYS A 58 -1.795 -0.373 -8.070 1.00 0.00 C ATOM 875 SG CYS A 58 -3.311 -1.365 -8.255 1.00 0.00 S ATOM 0 H CYS A 58 -0.523 -1.705 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.676 -1.769 -9.262 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.739 -0.003 -7.046 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.863 0.499 -8.721 1.00 0.00 H new ATOM 880 N ILE A 59 1.459 0.129 -7.742 1.00 0.00 N ATOM 881 CA ILE A 59 2.570 1.054 -7.930 1.00 0.00 C ATOM 882 C ILE A 59 3.824 0.320 -8.391 1.00 0.00 C ATOM 883 O ILE A 59 4.523 0.771 -9.299 1.00 0.00 O ATOM 884 CB ILE A 59 2.886 1.825 -6.635 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.666 2.634 -6.187 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.086 2.737 -6.842 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.427 3.876 -7.015 1.00 0.00 C ATOM 0 H ILE A 59 1.399 -0.275 -6.807 1.00 0.00 H new ATOM 0 HA ILE A 59 2.264 1.763 -8.699 1.00 0.00 H new ATOM 0 HB ILE A 59 3.130 1.107 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.781 1.999 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.794 2.922 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.297 3.275 -5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.954 2.139 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.868 3.451 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.547 4.399 -6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.295 4.532 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.266 3.594 -8.056 1.00 0.00 H new ATOM 899 N LEU A 60 4.103 -0.815 -7.760 1.00 0.00 N ATOM 900 CA LEU A 60 5.274 -1.615 -8.105 1.00 0.00 C ATOM 901 C LEU A 60 5.233 -2.034 -9.571 1.00 0.00 C ATOM 902 O LEU A 60 6.269 -2.135 -10.229 1.00 0.00 O ATOM 903 CB LEU A 60 5.352 -2.854 -7.211 1.00 0.00 C ATOM 904 CG LEU A 60 5.626 -2.595 -5.729 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.482 -3.880 -4.928 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.013 -1.999 -5.540 1.00 0.00 C ATOM 0 H LEU A 60 3.535 -1.203 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 60 6.162 -1.003 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.412 -3.399 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.135 -3.507 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 60 4.891 -1.878 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.681 -3.677 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.469 -4.266 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.194 -4.619 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.191 -1.821 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.762 -2.692 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.081 -1.056 -6.082 1.00 0.00 H new ATOM 918 N LYS A 61 4.029 -2.274 -10.080 1.00 0.00 N ATOM 919 CA LYS A 61 3.852 -2.679 -11.469 1.00 0.00 C ATOM 920 C LYS A 61 4.323 -1.583 -12.419 1.00 0.00 C ATOM 921 O LYS A 61 4.679 -1.852 -13.567 1.00 0.00 O ATOM 922 CB LYS A 61 2.382 -3.008 -11.742 1.00 0.00 C ATOM 923 CG LYS A 61 1.491 -1.782 -11.836 1.00 0.00 C ATOM 924 CD LYS A 61 0.337 -2.004 -12.799 1.00 0.00 C ATOM 925 CE LYS A 61 -0.860 -2.631 -12.099 1.00 0.00 C ATOM 926 NZ LYS A 61 -2.081 -2.594 -12.950 1.00 0.00 N ATOM 0 H LYS A 61 3.161 -2.195 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 61 4.456 -3.570 -11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.311 -3.570 -12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.010 -3.657 -10.949 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.100 -1.539 -10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.081 -0.927 -12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.043 -1.053 -13.242 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.662 -2.649 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.629 -3.664 -11.840 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.052 -2.103 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.874 -3.030 -12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.316 -1.607 -13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.907 -3.119 -13.831 1.00 0.00 H new ATOM 940 N LYS A 62 4.323 -0.345 -11.934 1.00 0.00 N ATOM 941 CA LYS A 62 4.753 0.792 -12.739 1.00 0.00 C ATOM 942 C LYS A 62 6.262 0.990 -12.638 1.00 0.00 C ATOM 943 O LYS A 62 6.954 0.233 -11.957 1.00 0.00 O ATOM 944 CB LYS A 62 4.030 2.063 -12.289 1.00 0.00 C ATOM 945 CG LYS A 62 2.526 2.014 -12.497 1.00 0.00 C ATOM 946 CD LYS A 62 1.856 3.296 -12.031 1.00 0.00 C ATOM 947 CE LYS A 62 1.821 3.386 -10.513 1.00 0.00 C ATOM 948 NZ LYS A 62 1.408 4.739 -10.048 1.00 0.00 N ATOM 0 H LYS A 62 4.030 -0.104 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 62 4.500 0.586 -13.779 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.237 2.234 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.436 2.915 -12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.309 1.852 -13.553 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.110 1.166 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.391 4.155 -12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.840 3.340 -12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.130 2.640 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.807 3.149 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.145 5.133 -9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.276 5.363 -10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.514 4.667 -9.521 1.00 0.00 H new ATOM 962 N THR A 63 6.766 2.015 -13.319 1.00 0.00 N ATOM 963 CA THR A 63 8.193 2.313 -13.306 1.00 0.00 C ATOM 964 C THR A 63 8.457 3.712 -12.762 1.00 0.00 C ATOM 965 O THR A 63 7.545 4.532 -12.659 1.00 0.00 O ATOM 966 CB THR A 63 8.804 2.198 -14.716 1.00 0.00 C ATOM 967 OG1 THR A 63 8.444 0.944 -15.305 1.00 0.00 O ATOM 968 CG2 THR A 63 10.319 2.321 -14.660 1.00 0.00 C ATOM 0 H THR A 63 6.207 2.652 -13.886 1.00 0.00 H new ATOM 0 HA THR A 63 8.664 1.578 -12.653 1.00 0.00 H new ATOM 0 HB THR A 63 8.411 3.011 -15.326 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.835 0.879 -16.201 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.728 2.237 -15.667 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.590 3.289 -14.238 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.726 1.526 -14.035 1.00 0.00 H new ATOM 976 N LYS A 64 9.712 3.979 -12.415 1.00 0.00 N ATOM 977 CA LYS A 64 10.098 5.281 -11.883 1.00 0.00 C ATOM 978 C LYS A 64 9.129 5.734 -10.796 1.00 0.00 C ATOM 979 O LYS A 64 8.657 6.870 -10.808 1.00 0.00 O ATOM 980 CB LYS A 64 10.144 6.320 -13.006 1.00 0.00 C ATOM 981 CG LYS A 64 11.107 5.964 -14.125 1.00 0.00 C ATOM 982 CD LYS A 64 11.648 7.207 -14.812 1.00 0.00 C ATOM 983 CE LYS A 64 11.984 6.936 -16.270 1.00 0.00 C ATOM 984 NZ LYS A 64 10.808 7.147 -17.159 1.00 0.00 N ATOM 0 H LYS A 64 10.479 3.311 -12.493 1.00 0.00 H new ATOM 0 HA LYS A 64 11.091 5.186 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.144 6.437 -13.423 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.429 7.284 -12.586 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.935 5.381 -13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.600 5.335 -14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.911 8.008 -14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.540 7.553 -14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.798 7.590 -16.583 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.340 5.911 -16.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.078 6.952 -18.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.040 6.505 -16.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.483 8.132 -17.077 1.00 0.00 H new ATOM 998 N GLN A 65 8.837 4.838 -9.859 1.00 0.00 N ATOM 999 CA GLN A 65 7.925 5.147 -8.765 1.00 0.00 C ATOM 1000 C GLN A 65 8.692 5.403 -7.472 1.00 0.00 C ATOM 1001 O GLN A 65 8.482 6.416 -6.805 1.00 0.00 O ATOM 1002 CB GLN A 65 6.930 4.002 -8.563 1.00 0.00 C ATOM 1003 CG GLN A 65 6.129 3.666 -9.810 1.00 0.00 C ATOM 1004 CD GLN A 65 5.141 4.755 -10.180 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.379 5.230 -9.338 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.149 5.156 -11.446 1.00 0.00 N ATOM 0 H GLN A 65 9.219 3.892 -9.836 1.00 0.00 H new ATOM 0 HA GLN A 65 7.378 6.053 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.472 3.114 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.242 4.267 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.813 3.502 -10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.591 2.731 -9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.798 4.734 -12.110 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.506 5.886 -11.754 1.00 0.00 H new ATOM 1015 N ILE A 66 9.581 4.479 -7.124 1.00 0.00 N ATOM 1016 CA ILE A 66 10.380 4.606 -5.911 1.00 0.00 C ATOM 1017 C ILE A 66 11.870 4.511 -6.222 1.00 0.00 C ATOM 1018 O ILE A 66 12.283 3.776 -7.119 1.00 0.00 O ATOM 1019 CB ILE A 66 10.012 3.523 -4.879 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.507 3.539 -4.606 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.792 3.734 -3.590 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.030 2.362 -3.783 1.00 0.00 C ATOM 0 H ILE A 66 9.766 3.634 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 66 10.161 5.587 -5.490 1.00 0.00 H new ATOM 0 HB ILE A 66 10.278 2.548 -5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.250 4.463 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.973 3.548 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.521 2.961 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.861 3.678 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.554 4.714 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.954 2.439 -3.628 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.256 1.435 -4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.536 2.364 -2.818 1.00 0.00 H new ATOM 1034 N LYS A 67 12.673 5.258 -5.473 1.00 0.00 N ATOM 1035 CA LYS A 67 14.119 5.257 -5.665 1.00 0.00 C ATOM 1036 C LYS A 67 14.776 4.152 -4.844 1.00 0.00 C ATOM 1037 O LYS A 67 15.633 3.422 -5.342 1.00 0.00 O ATOM 1038 CB LYS A 67 14.706 6.616 -5.275 1.00 0.00 C ATOM 1039 CG LYS A 67 16.019 6.933 -5.971 1.00 0.00 C ATOM 1040 CD LYS A 67 15.795 7.381 -7.405 1.00 0.00 C ATOM 1041 CE LYS A 67 16.904 8.307 -7.880 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.816 9.650 -7.242 1.00 0.00 N ATOM 0 H LYS A 67 12.347 5.872 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 67 14.321 5.070 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.982 7.396 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.861 6.640 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.543 7.715 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.660 6.051 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.745 6.508 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.835 7.892 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.872 7.860 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.848 8.415 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.387 10.330 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.824 9.964 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.175 9.596 -6.268 1.00 0.00 H new ATOM 1056 N SER A 68 14.368 4.035 -3.584 1.00 0.00 N ATOM 1057 CA SER A 68 14.919 3.020 -2.694 1.00 0.00 C ATOM 1058 C SER A 68 14.053 2.862 -1.448 1.00 0.00 C ATOM 1059 O SER A 68 13.339 3.784 -1.053 1.00 0.00 O ATOM 1060 CB SER A 68 16.349 3.386 -2.292 1.00 0.00 C ATOM 1061 OG SER A 68 16.838 2.510 -1.291 1.00 0.00 O ATOM 0 H SER A 68 13.658 4.630 -3.157 1.00 0.00 H new ATOM 0 HA SER A 68 14.931 2.071 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.998 3.342 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.376 4.412 -1.926 1.00 0.00 H new ATOM 0 HG SER A 68 17.754 2.764 -1.053 1.00 0.00 H new ATOM 1067 N VAL A 69 14.122 1.686 -0.832 1.00 0.00 N ATOM 1068 CA VAL A 69 13.346 1.406 0.370 1.00 0.00 C ATOM 1069 C VAL A 69 13.504 2.520 1.398 1.00 0.00 C ATOM 1070 O VAL A 69 12.572 2.830 2.141 1.00 0.00 O ATOM 1071 CB VAL A 69 13.764 0.069 1.009 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.160 -1.100 0.247 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.281 -0.045 1.061 1.00 0.00 C ATOM 0 H VAL A 69 14.707 0.912 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 69 12.301 1.343 0.065 1.00 0.00 H new ATOM 0 HB VAL A 69 13.384 0.040 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.467 -2.036 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.073 -1.024 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.507 -1.079 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.559 -0.996 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.685 0.006 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.687 0.774 1.655 1.00 0.00 H new ATOM 1083 N ASP A 70 14.688 3.120 1.435 1.00 0.00 N ATOM 1084 CA ASP A 70 14.969 4.202 2.371 1.00 0.00 C ATOM 1085 C ASP A 70 13.987 5.354 2.181 1.00 0.00 C ATOM 1086 O ASP A 70 13.652 6.061 3.132 1.00 0.00 O ATOM 1087 CB ASP A 70 16.402 4.703 2.190 1.00 0.00 C ATOM 1088 CG ASP A 70 16.757 5.808 3.166 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.404 5.683 4.357 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.387 6.798 2.738 1.00 0.00 O ATOM 0 H ASP A 70 15.470 2.875 0.827 1.00 0.00 H new ATOM 0 HA ASP A 70 14.854 3.813 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.094 3.871 2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.530 5.067 1.171 1.00 0.00 H new ATOM 1095 N ASP A 71 13.529 5.536 0.948 1.00 0.00 N ATOM 1096 CA ASP A 71 12.585 6.602 0.632 1.00 0.00 C ATOM 1097 C ASP A 71 11.191 6.265 1.153 1.00 0.00 C ATOM 1098 O ASP A 71 10.366 7.153 1.369 1.00 0.00 O ATOM 1099 CB ASP A 71 12.535 6.838 -0.878 1.00 0.00 C ATOM 1100 CG ASP A 71 13.774 7.543 -1.395 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.885 7.203 -0.936 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.633 8.433 -2.258 1.00 0.00 O ATOM 0 H ASP A 71 13.796 4.959 0.150 1.00 0.00 H new ATOM 0 HA ASP A 71 12.927 7.513 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.425 5.881 -1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.654 7.432 -1.121 1.00 0.00 H new ATOM 1107 N VAL A 72 10.934 4.976 1.352 1.00 0.00 N ATOM 1108 CA VAL A 72 9.641 4.521 1.847 1.00 0.00 C ATOM 1109 C VAL A 72 9.586 4.573 3.369 1.00 0.00 C ATOM 1110 O VAL A 72 10.491 4.090 4.049 1.00 0.00 O ATOM 1111 CB VAL A 72 9.335 3.085 1.382 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.915 2.693 1.759 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.552 2.954 -0.118 1.00 0.00 C ATOM 0 H VAL A 72 11.605 4.228 1.178 1.00 0.00 H new ATOM 0 HA VAL A 72 8.890 5.196 1.436 1.00 0.00 H new ATOM 0 HB VAL A 72 10.021 2.404 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.717 1.675 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.798 2.746 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.211 3.376 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.331 1.933 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.892 3.644 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.589 3.190 -0.358 1.00 0.00 H new ATOM 1123 N GLU A 73 8.518 5.161 3.898 1.00 0.00 N ATOM 1124 CA GLU A 73 8.345 5.276 5.342 1.00 0.00 C ATOM 1125 C GLU A 73 7.548 4.096 5.890 1.00 0.00 C ATOM 1126 O GLU A 73 6.939 3.340 5.135 1.00 0.00 O ATOM 1127 CB GLU A 73 7.640 6.588 5.691 1.00 0.00 C ATOM 1128 CG GLU A 73 7.776 6.982 7.152 1.00 0.00 C ATOM 1129 CD GLU A 73 7.670 8.480 7.365 1.00 0.00 C ATOM 1130 OE1 GLU A 73 6.564 9.029 7.179 1.00 0.00 O ATOM 1131 OE2 GLU A 73 8.694 9.102 7.718 1.00 0.00 O ATOM 0 H GLU A 73 7.759 5.565 3.349 1.00 0.00 H new ATOM 0 HA GLU A 73 9.333 5.270 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.046 7.386 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.582 6.499 5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.002 6.481 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.736 6.632 7.531 1.00 0.00 H new ATOM 1138 N GLY A 74 7.559 3.945 7.211 1.00 0.00 N ATOM 1139 CA GLY A 74 6.835 2.855 7.839 1.00 0.00 C ATOM 1140 C GLY A 74 6.973 1.552 7.076 1.00 0.00 C ATOM 1141 O GLY A 74 6.111 0.677 7.169 1.00 0.00 O ATOM 0 H GLY A 74 8.056 4.558 7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.202 2.718 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.780 3.119 7.914 1.00 0.00 H new ATOM 1145 N ILE A 75 8.057 1.423 6.320 1.00 0.00 N ATOM 1146 CA ILE A 75 8.304 0.218 5.538 1.00 0.00 C ATOM 1147 C ILE A 75 8.758 -0.932 6.430 1.00 0.00 C ATOM 1148 O ILE A 75 8.595 -2.101 6.083 1.00 0.00 O ATOM 1149 CB ILE A 75 9.367 0.460 4.450 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.386 -0.704 3.457 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.738 0.647 5.082 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.130 -0.394 2.177 1.00 0.00 C ATOM 0 H ILE A 75 8.779 2.138 6.232 1.00 0.00 H new ATOM 0 HA ILE A 75 7.361 -0.046 5.060 1.00 0.00 H new ATOM 0 HB ILE A 75 9.111 1.371 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.845 -1.570 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.360 -0.980 3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.479 0.817 4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.715 1.505 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.004 -0.247 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.103 -1.264 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.658 0.452 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.166 -0.147 2.409 1.00 0.00 H new ATOM 1164 N GLU A 76 9.327 -0.592 7.582 1.00 0.00 N ATOM 1165 CA GLU A 76 9.804 -1.597 8.525 1.00 0.00 C ATOM 1166 C GLU A 76 8.637 -2.254 9.257 1.00 0.00 C ATOM 1167 O GLU A 76 8.809 -3.260 9.945 1.00 0.00 O ATOM 1168 CB GLU A 76 10.764 -0.966 9.535 1.00 0.00 C ATOM 1169 CG GLU A 76 10.145 0.165 10.339 1.00 0.00 C ATOM 1170 CD GLU A 76 10.753 0.299 11.721 1.00 0.00 C ATOM 1171 OE1 GLU A 76 11.994 0.399 11.817 1.00 0.00 O ATOM 1172 OE2 GLU A 76 9.987 0.304 12.708 1.00 0.00 O ATOM 0 H GLU A 76 9.469 0.372 7.885 1.00 0.00 H new ATOM 0 HA GLU A 76 10.335 -2.364 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.116 -1.737 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.638 -0.588 9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.272 1.103 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.073 -0.006 10.433 1.00 0.00 H new ATOM 1179 N SER A 77 7.450 -1.676 9.104 1.00 0.00 N ATOM 1180 CA SER A 77 6.255 -2.201 9.753 1.00 0.00 C ATOM 1181 C SER A 77 5.543 -3.205 8.851 1.00 0.00 C ATOM 1182 O SER A 77 4.720 -3.997 9.313 1.00 0.00 O ATOM 1183 CB SER A 77 5.302 -1.060 10.115 1.00 0.00 C ATOM 1184 OG SER A 77 4.302 -1.498 11.019 1.00 0.00 O ATOM 0 H SER A 77 7.290 -0.844 8.536 1.00 0.00 H new ATOM 0 HA SER A 77 6.563 -2.712 10.665 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.865 -0.239 10.560 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.834 -0.672 9.210 1.00 0.00 H new ATOM 0 HG SER A 77 3.707 -0.750 11.236 1.00 0.00 H new ATOM 1190 N LEU A 78 5.867 -3.167 7.564 1.00 0.00 N ATOM 1191 CA LEU A 78 5.260 -4.074 6.595 1.00 0.00 C ATOM 1192 C LEU A 78 5.781 -5.495 6.779 1.00 0.00 C ATOM 1193 O LEU A 78 6.849 -5.706 7.354 1.00 0.00 O ATOM 1194 CB LEU A 78 5.544 -3.595 5.171 1.00 0.00 C ATOM 1195 CG LEU A 78 5.396 -2.092 4.926 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.790 -1.743 3.499 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.971 -1.643 5.213 1.00 0.00 C ATOM 0 H LEU A 78 6.546 -2.518 7.166 1.00 0.00 H new ATOM 0 HA LEU A 78 4.183 -4.077 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.560 -3.888 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.874 -4.121 4.492 1.00 0.00 H new ATOM 0 HG LEU A 78 6.065 -1.564 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.678 -0.670 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.828 -2.029 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.146 -2.280 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.884 -0.571 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.282 -2.178 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.724 -1.858 6.253 1.00 0.00 H new ATOM 1209 N ARG A 79 5.020 -6.467 6.286 1.00 0.00 N ATOM 1210 CA ARG A 79 5.405 -7.869 6.395 1.00 0.00 C ATOM 1211 C ARG A 79 6.628 -8.166 5.532 1.00 0.00 C ATOM 1212 O ARG A 79 6.809 -7.571 4.470 1.00 0.00 O ATOM 1213 CB ARG A 79 4.243 -8.773 5.980 1.00 0.00 C ATOM 1214 CG ARG A 79 3.202 -8.966 7.070 1.00 0.00 C ATOM 1215 CD ARG A 79 1.994 -9.734 6.557 1.00 0.00 C ATOM 1216 NE ARG A 79 1.144 -10.208 7.645 1.00 0.00 N ATOM 1217 CZ ARG A 79 0.171 -11.099 7.484 1.00 0.00 C ATOM 1218 NH1 ARG A 79 -0.072 -11.610 6.286 1.00 0.00 N ATOM 1219 NH2 ARG A 79 -0.560 -11.480 8.524 1.00 0.00 N ATOM 0 H ARG A 79 4.133 -6.309 5.807 1.00 0.00 H new ATOM 0 HA ARG A 79 5.659 -8.070 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.760 -8.349 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.637 -9.747 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.647 -9.503 7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.883 -7.994 7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.412 -9.093 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.330 -10.584 5.963 1.00 0.00 H new ATOM 0 HE ARG A 79 1.306 -9.835 8.580 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.488 -11.320 5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.819 -12.294 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.375 -11.089 9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.307 -12.164 8.400 1.00 0.00 H new ATOM 1233 N TRP A 80 7.464 -9.087 5.996 1.00 0.00 N ATOM 1234 CA TRP A 80 8.670 -9.462 5.267 1.00 0.00 C ATOM 1235 C TRP A 80 8.417 -9.470 3.763 1.00 0.00 C ATOM 1236 O TRP A 80 9.066 -8.743 3.013 1.00 0.00 O ATOM 1237 CB TRP A 80 9.159 -10.838 5.721 1.00 0.00 C ATOM 1238 CG TRP A 80 10.155 -11.454 4.786 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.394 -10.971 4.475 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.994 -12.665 4.039 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.013 -11.810 3.579 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.176 -12.856 3.297 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.969 -13.607 3.927 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.357 -13.950 2.455 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.149 -14.692 3.090 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.336 -14.857 2.364 1.00 0.00 C ATOM 0 H TRP A 80 7.329 -9.588 6.874 1.00 0.00 H new ATOM 0 HA TRP A 80 9.440 -8.721 5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.608 -10.748 6.710 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.303 -11.505 5.819 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.824 -10.064 4.874 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.945 -11.675 3.188 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.052 -13.490 4.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.271 -14.078 1.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.362 -15.425 2.994 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.447 -15.717 1.720 1.00 0.00 H new ATOM 1257 N GLU A 81 7.470 -10.297 3.331 1.00 0.00 N ATOM 1258 CA GLU A 81 7.132 -10.398 1.916 1.00 0.00 C ATOM 1259 C GLU A 81 6.936 -9.015 1.303 1.00 0.00 C ATOM 1260 O GLU A 81 7.373 -8.753 0.182 1.00 0.00 O ATOM 1261 CB GLU A 81 5.865 -11.235 1.730 1.00 0.00 C ATOM 1262 CG GLU A 81 4.585 -10.482 2.050 1.00 0.00 C ATOM 1263 CD GLU A 81 3.340 -11.302 1.774 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.025 -11.521 0.586 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.682 -11.726 2.747 1.00 0.00 O ATOM 0 H GLU A 81 6.924 -10.906 3.940 1.00 0.00 H new ATOM 0 HA GLU A 81 7.961 -10.888 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.821 -11.588 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.926 -12.118 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.595 -10.186 3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.550 -9.566 1.460 1.00 0.00 H new ATOM 1272 N ASP A 82 6.276 -8.134 2.046 1.00 0.00 N ATOM 1273 CA ASP A 82 6.021 -6.776 1.577 1.00 0.00 C ATOM 1274 C ASP A 82 7.324 -5.995 1.442 1.00 0.00 C ATOM 1275 O ASP A 82 7.620 -5.442 0.383 1.00 0.00 O ATOM 1276 CB ASP A 82 5.075 -6.052 2.536 1.00 0.00 C ATOM 1277 CG ASP A 82 3.705 -6.699 2.596 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.461 -7.646 1.818 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.877 -6.259 3.420 1.00 0.00 O ATOM 0 H ASP A 82 5.908 -8.335 2.976 1.00 0.00 H new ATOM 0 HA ASP A 82 5.552 -6.839 0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.513 -6.041 3.534 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.970 -5.013 2.223 1.00 0.00 H new ATOM 1284 N GLN A 83 8.098 -5.952 2.522 1.00 0.00 N ATOM 1285 CA GLN A 83 9.368 -5.236 2.524 1.00 0.00 C ATOM 1286 C GLN A 83 10.257 -5.703 1.376 1.00 0.00 C ATOM 1287 O GLN A 83 11.098 -4.951 0.885 1.00 0.00 O ATOM 1288 CB GLN A 83 10.089 -5.438 3.858 1.00 0.00 C ATOM 1289 CG GLN A 83 9.278 -4.986 5.062 1.00 0.00 C ATOM 1290 CD GLN A 83 10.145 -4.682 6.268 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.132 -3.953 6.170 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.778 -5.240 7.416 1.00 0.00 N ATOM 0 H GLN A 83 7.868 -6.405 3.407 1.00 0.00 H new ATOM 0 HA GLN A 83 9.159 -4.175 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.336 -6.494 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.031 -4.891 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.706 -4.097 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.558 -5.762 5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.952 -5.838 7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.322 -5.071 8.262 1.00 0.00 H new ATOM 1301 N GLN A 84 10.066 -6.949 0.954 1.00 0.00 N ATOM 1302 CA GLN A 84 10.852 -7.516 -0.135 1.00 0.00 C ATOM 1303 C GLN A 84 10.395 -6.962 -1.481 1.00 0.00 C ATOM 1304 O GLN A 84 11.210 -6.708 -2.368 1.00 0.00 O ATOM 1305 CB GLN A 84 10.740 -9.041 -0.133 1.00 0.00 C ATOM 1306 CG GLN A 84 11.192 -9.683 1.169 1.00 0.00 C ATOM 1307 CD GLN A 84 12.673 -10.008 1.175 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.191 -10.617 0.239 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.363 -9.602 2.235 1.00 0.00 N ATOM 0 H GLN A 84 9.374 -7.585 1.350 1.00 0.00 H new ATOM 0 HA GLN A 84 11.894 -7.236 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.704 -9.321 -0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.337 -9.442 -0.952 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.968 -9.012 1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.622 -10.597 1.336 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.893 -9.100 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.363 -9.792 2.296 1.00 0.00 H new ATOM 1318 N LYS A 85 9.088 -6.777 -1.626 1.00 0.00 N ATOM 1319 CA LYS A 85 8.521 -6.253 -2.863 1.00 0.00 C ATOM 1320 C LYS A 85 9.075 -4.865 -3.170 1.00 0.00 C ATOM 1321 O LYS A 85 9.101 -4.438 -4.324 1.00 0.00 O ATOM 1322 CB LYS A 85 6.995 -6.195 -2.766 1.00 0.00 C ATOM 1323 CG LYS A 85 6.340 -7.562 -2.660 1.00 0.00 C ATOM 1324 CD LYS A 85 4.840 -7.446 -2.448 1.00 0.00 C ATOM 1325 CE LYS A 85 4.299 -8.622 -1.648 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.811 -8.673 -1.676 1.00 0.00 N ATOM 0 H LYS A 85 8.400 -6.982 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 85 8.801 -6.925 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.717 -5.600 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.603 -5.680 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.537 -8.132 -3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.784 -8.116 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.616 -6.515 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.337 -7.399 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.702 -9.551 -2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.641 -8.547 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.481 -9.488 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.426 -7.797 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.485 -8.770 -2.659 1.00 0.00 H new ATOM 1340 N ILE A 86 9.516 -4.166 -2.129 1.00 0.00 N ATOM 1341 CA ILE A 86 10.071 -2.828 -2.288 1.00 0.00 C ATOM 1342 C ILE A 86 11.520 -2.886 -2.759 1.00 0.00 C ATOM 1343 O ILE A 86 11.837 -2.477 -3.876 1.00 0.00 O ATOM 1344 CB ILE A 86 10.002 -2.030 -0.973 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.632 -2.206 -0.315 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.286 -0.558 -1.231 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.517 -1.480 -1.036 1.00 0.00 C ATOM 0 H ILE A 86 9.500 -4.504 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 86 9.467 -2.323 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 86 10.763 -2.413 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.393 -3.269 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.683 -1.847 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.234 -0.007 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.282 -0.449 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.546 -0.161 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.575 -1.649 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.733 -0.412 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.439 -1.855 -2.056 1.00 0.00 H new ATOM 1359 N ARG A 87 12.395 -3.398 -1.901 1.00 0.00 N ATOM 1360 CA ARG A 87 13.811 -3.511 -2.229 1.00 0.00 C ATOM 1361 C ARG A 87 14.006 -4.255 -3.547 1.00 0.00 C ATOM 1362 O ARG A 87 14.843 -3.878 -4.368 1.00 0.00 O ATOM 1363 CB ARG A 87 14.561 -4.233 -1.108 1.00 0.00 C ATOM 1364 CG ARG A 87 14.110 -5.670 -0.901 1.00 0.00 C ATOM 1365 CD ARG A 87 14.326 -6.119 0.536 1.00 0.00 C ATOM 1366 NE ARG A 87 14.627 -7.546 0.624 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.821 -8.062 0.358 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.821 -7.274 -0.011 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.017 -9.371 0.460 1.00 0.00 N ATOM 0 H ARG A 87 12.149 -3.741 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 87 14.214 -2.504 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.628 -4.225 -1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.426 -3.681 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.055 -5.762 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.660 -6.326 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.144 -5.548 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.434 -5.900 1.122 1.00 0.00 H new ATOM 0 HE ARG A 87 13.879 -8.180 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.674 -6.268 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.737 -7.674 -0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.250 -9.981 0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.935 -9.767 0.255 1.00 0.00 H new ATOM 1383 N LYS A 88 13.229 -5.315 -3.743 1.00 0.00 N ATOM 1384 CA LYS A 88 13.314 -6.113 -4.960 1.00 0.00 C ATOM 1385 C LYS A 88 12.740 -5.352 -6.151 1.00 0.00 C ATOM 1386 O LYS A 88 12.699 -5.867 -7.268 1.00 0.00 O ATOM 1387 CB LYS A 88 12.569 -7.437 -4.780 1.00 0.00 C ATOM 1388 CG LYS A 88 13.025 -8.232 -3.569 1.00 0.00 C ATOM 1389 CD LYS A 88 14.155 -9.185 -3.920 1.00 0.00 C ATOM 1390 CE LYS A 88 13.636 -10.430 -4.624 1.00 0.00 C ATOM 1391 NZ LYS A 88 14.716 -11.143 -5.359 1.00 0.00 N ATOM 0 H LYS A 88 12.532 -5.642 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 88 14.366 -6.319 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.502 -7.234 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.704 -8.045 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.355 -7.548 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.184 -8.796 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.875 -8.677 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.685 -9.473 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.191 -11.103 -3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.846 -10.150 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.322 -11.985 -5.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.124 -10.510 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.458 -11.433 -4.690 1.00 0.00 H new ATOM 1405 N TYR A 89 12.298 -4.123 -5.904 1.00 0.00 N ATOM 1406 CA TYR A 89 11.725 -3.292 -6.956 1.00 0.00 C ATOM 1407 C TYR A 89 12.596 -2.067 -7.218 1.00 0.00 C ATOM 1408 O TYR A 89 12.747 -1.630 -8.359 1.00 0.00 O ATOM 1409 CB TYR A 89 10.310 -2.853 -6.574 1.00 0.00 C ATOM 1410 CG TYR A 89 9.782 -1.712 -7.414 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.170 -1.950 -8.638 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.898 -0.396 -6.984 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.687 -0.910 -9.409 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.417 0.650 -7.747 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.812 0.388 -8.959 1.00 0.00 C ATOM 1416 OH TYR A 89 8.333 1.427 -9.723 1.00 0.00 O ATOM 0 H TYR A 89 12.326 -3.681 -4.985 1.00 0.00 H new ATOM 0 HA TYR A 89 11.680 -3.886 -7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.636 -3.705 -6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.302 -2.555 -5.525 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.070 -2.965 -8.993 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.373 -0.187 -6.037 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.214 -1.112 -10.359 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.514 1.667 -7.397 1.00 0.00 H new ATOM 0 HH TYR A 89 7.775 1.071 -10.446 1.00 0.00 H new ATOM 1426 N VAL A 90 13.168 -1.517 -6.151 1.00 0.00 N ATOM 1427 CA VAL A 90 14.026 -0.344 -6.264 1.00 0.00 C ATOM 1428 C VAL A 90 15.427 -0.730 -6.726 1.00 0.00 C ATOM 1429 O VAL A 90 16.171 0.102 -7.244 1.00 0.00 O ATOM 1430 CB VAL A 90 14.128 0.407 -4.923 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.836 1.152 -4.628 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.466 -0.558 -3.797 1.00 0.00 C ATOM 0 H VAL A 90 13.052 -1.865 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 90 13.570 0.312 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 90 14.932 1.139 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.927 1.676 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.642 1.873 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.011 0.442 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.534 -0.011 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.686 -1.315 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.421 -1.041 -4.006 1.00 0.00 H new ATOM 1442 N GLU A 91 15.779 -1.997 -6.535 1.00 0.00 N ATOM 1443 CA GLU A 91 17.092 -2.493 -6.933 1.00 0.00 C ATOM 1444 C GLU A 91 17.067 -3.008 -8.369 1.00 0.00 C ATOM 1445 O GLU A 91 17.905 -2.633 -9.189 1.00 0.00 O ATOM 1446 CB GLU A 91 17.549 -3.606 -5.988 1.00 0.00 C ATOM 1447 CG GLU A 91 17.629 -3.175 -4.533 1.00 0.00 C ATOM 1448 CD GLU A 91 18.971 -2.562 -4.180 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.292 -1.485 -4.725 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.698 -3.159 -3.359 1.00 0.00 O ATOM 0 H GLU A 91 15.174 -2.699 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 91 17.798 -1.664 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.861 -4.447 -6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.528 -3.962 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.839 -2.453 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.448 -4.038 -3.892 1.00 0.00 H new ATOM 1457 N SER A 92 16.099 -3.870 -8.665 1.00 0.00 N ATOM 1458 CA SER A 92 15.967 -4.441 -10.001 1.00 0.00 C ATOM 1459 C SER A 92 14.992 -3.626 -10.845 1.00 0.00 C ATOM 1460 O SER A 92 14.488 -2.592 -10.408 1.00 0.00 O ATOM 1461 CB SER A 92 15.493 -5.893 -9.913 1.00 0.00 C ATOM 1462 OG SER A 92 15.708 -6.574 -11.137 1.00 0.00 O ATOM 0 H SER A 92 15.395 -4.188 -7.999 1.00 0.00 H new ATOM 0 HA SER A 92 16.946 -4.414 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.024 -6.404 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.433 -5.918 -9.660 1.00 0.00 H new ATOM 0 HG SER A 92 15.399 -7.500 -11.055 1.00 0.00 H new ATOM 1468 N GLY A 93 14.731 -4.101 -12.060 1.00 0.00 N ATOM 1469 CA GLY A 93 13.818 -3.405 -12.947 1.00 0.00 C ATOM 1470 C GLY A 93 12.436 -3.242 -12.346 1.00 0.00 C ATOM 1471 O GLY A 93 11.767 -4.226 -12.035 1.00 0.00 O ATOM 0 H GLY A 93 15.136 -4.955 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.226 -2.422 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.740 -3.953 -13.886 1.00 0.00 H new ATOM 1475 N ALA A 94 12.008 -1.994 -12.181 1.00 0.00 N ATOM 1476 CA ALA A 94 10.697 -1.706 -11.613 1.00 0.00 C ATOM 1477 C ALA A 94 9.598 -2.454 -12.360 1.00 0.00 C ATOM 1478 O ALA A 94 8.699 -3.029 -11.748 1.00 0.00 O ATOM 1479 CB ALA A 94 10.429 -0.208 -11.638 1.00 0.00 C ATOM 0 H ALA A 94 12.550 -1.167 -12.433 1.00 0.00 H new ATOM 0 HA ALA A 94 10.694 -2.048 -10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.447 -0.007 -11.211 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.191 0.308 -11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.457 0.150 -12.667 1.00 0.00 H new ATOM 1485 N GLY A 95 9.677 -2.442 -13.687 1.00 0.00 N ATOM 1486 CA GLY A 95 8.682 -3.122 -14.495 1.00 0.00 C ATOM 1487 C GLY A 95 9.137 -3.322 -15.927 1.00 0.00 C ATOM 1488 O GLY A 95 10.298 -3.647 -16.177 1.00 0.00 O ATOM 0 H GLY A 95 10.412 -1.974 -14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.457 -4.091 -14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.757 -2.546 -14.488 1.00 0.00 H new ATOM 1492 N SER A 96 8.220 -3.131 -16.870 1.00 0.00 N ATOM 1493 CA SER A 96 8.532 -3.298 -18.285 1.00 0.00 C ATOM 1494 C SER A 96 7.733 -2.316 -19.137 1.00 0.00 C ATOM 1495 O SER A 96 6.787 -1.691 -18.660 1.00 0.00 O ATOM 1496 CB SER A 96 8.237 -4.732 -18.728 1.00 0.00 C ATOM 1497 OG SER A 96 8.960 -5.063 -19.901 1.00 0.00 O ATOM 0 H SER A 96 7.255 -2.861 -16.680 1.00 0.00 H new ATOM 0 HA SER A 96 9.593 -3.093 -18.424 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.499 -5.424 -17.928 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.169 -4.847 -18.911 1.00 0.00 H new ATOM 0 HG SER A 96 8.755 -5.985 -20.162 1.00 0.00 H new ATOM 1503 N ASN A 97 8.122 -2.188 -20.401 1.00 0.00 N ATOM 1504 CA ASN A 97 7.443 -1.282 -21.321 1.00 0.00 C ATOM 1505 C ASN A 97 5.928 -1.424 -21.206 1.00 0.00 C ATOM 1506 O ASN A 97 5.380 -2.513 -21.377 1.00 0.00 O ATOM 1507 CB ASN A 97 7.884 -1.559 -22.760 1.00 0.00 C ATOM 1508 CG ASN A 97 9.349 -1.241 -22.987 1.00 0.00 C ATOM 1509 OD1 ASN A 97 10.180 -2.141 -23.101 1.00 0.00 O ATOM 1510 ND2 ASN A 97 9.672 0.046 -23.053 1.00 0.00 N ATOM 0 H ASN A 97 8.903 -2.699 -20.812 1.00 0.00 H new ATOM 0 HA ASN A 97 7.716 -0.261 -21.054 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.701 -2.607 -22.998 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.276 -0.966 -23.444 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.643 0.321 -23.204 1.00 0.00 H new ATOM 0 HD22 ASN A 97 8.949 0.759 -22.953 1.00 0.00 H new ATOM 1517 N THR A 98 5.256 -0.315 -20.914 1.00 0.00 N ATOM 1518 CA THR A 98 3.805 -0.314 -20.775 1.00 0.00 C ATOM 1519 C THR A 98 3.176 0.818 -21.578 1.00 0.00 C ATOM 1520 O THR A 98 3.733 1.912 -21.668 1.00 0.00 O ATOM 1521 CB THR A 98 3.382 -0.179 -19.300 1.00 0.00 C ATOM 1522 OG1 THR A 98 1.961 -0.033 -19.209 1.00 0.00 O ATOM 1523 CG2 THR A 98 4.063 1.016 -18.649 1.00 0.00 C ATOM 0 H THR A 98 5.694 0.595 -20.769 1.00 0.00 H new ATOM 0 HA THR A 98 3.450 -1.270 -21.161 1.00 0.00 H new ATOM 0 HB THR A 98 3.688 -1.083 -18.773 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.700 0.050 -18.268 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.749 1.091 -17.608 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.144 0.887 -18.693 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.784 1.927 -19.179 1.00 0.00 H new ATOM 1531 N SER A 99 2.011 0.549 -22.159 1.00 0.00 N ATOM 1532 CA SER A 99 1.307 1.546 -22.957 1.00 0.00 C ATOM 1533 C SER A 99 0.389 2.394 -22.082 1.00 0.00 C ATOM 1534 O SER A 99 -0.795 2.093 -21.928 1.00 0.00 O ATOM 1535 CB SER A 99 0.493 0.865 -24.059 1.00 0.00 C ATOM 1536 OG SER A 99 -0.397 -0.095 -23.517 1.00 0.00 O ATOM 0 H SER A 99 1.535 -0.351 -22.092 1.00 0.00 H new ATOM 0 HA SER A 99 2.050 2.200 -23.414 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.070 1.614 -24.615 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.166 0.382 -24.767 1.00 0.00 H new ATOM 0 HG SER A 99 -0.864 0.290 -22.746 1.00 0.00 H new ATOM 1542 N THR A 100 0.945 3.457 -21.509 1.00 0.00 N ATOM 1543 CA THR A 100 0.179 4.349 -20.648 1.00 0.00 C ATOM 1544 C THR A 100 -1.241 4.533 -21.171 1.00 0.00 C ATOM 1545 O THR A 100 -1.453 4.704 -22.371 1.00 0.00 O ATOM 1546 CB THR A 100 0.853 5.729 -20.527 1.00 0.00 C ATOM 1547 OG1 THR A 100 0.136 6.544 -19.592 1.00 0.00 O ATOM 1548 CG2 THR A 100 0.905 6.426 -21.879 1.00 0.00 C ATOM 0 H THR A 100 1.923 3.721 -21.626 1.00 0.00 H new ATOM 0 HA THR A 100 0.143 3.883 -19.663 1.00 0.00 H new ATOM 0 HB THR A 100 1.873 5.581 -20.172 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.572 7.419 -19.519 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.385 7.398 -21.769 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.475 5.817 -22.581 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.108 6.562 -22.257 1.00 0.00 H new ATOM 1556 N SER A 101 -2.211 4.498 -20.263 1.00 0.00 N ATOM 1557 CA SER A 101 -3.612 4.658 -20.634 1.00 0.00 C ATOM 1558 C SER A 101 -4.145 6.010 -20.171 1.00 0.00 C ATOM 1559 O SER A 101 -4.509 6.183 -19.008 1.00 0.00 O ATOM 1560 CB SER A 101 -4.453 3.532 -20.030 1.00 0.00 C ATOM 1561 OG SER A 101 -4.169 2.292 -20.655 1.00 0.00 O ATOM 0 H SER A 101 -2.052 4.360 -19.265 1.00 0.00 H new ATOM 0 HA SER A 101 -3.682 4.612 -21.721 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.254 3.458 -18.961 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.512 3.765 -20.141 1.00 0.00 H new ATOM 0 HG SER A 101 -4.718 1.588 -20.250 1.00 0.00 H new ATOM 1567 N THR A 102 -4.189 6.968 -21.092 1.00 0.00 N ATOM 1568 CA THR A 102 -4.676 8.306 -20.780 1.00 0.00 C ATOM 1569 C THR A 102 -6.196 8.374 -20.876 1.00 0.00 C ATOM 1570 O THR A 102 -6.753 8.533 -21.961 1.00 0.00 O ATOM 1571 CB THR A 102 -4.067 9.360 -21.724 1.00 0.00 C ATOM 1572 OG1 THR A 102 -4.425 9.070 -23.080 1.00 0.00 O ATOM 1573 CG2 THR A 102 -2.551 9.393 -21.591 1.00 0.00 C ATOM 0 H THR A 102 -3.893 6.842 -22.060 1.00 0.00 H new ATOM 0 HA THR A 102 -4.368 8.523 -19.757 1.00 0.00 H new ATOM 0 HB THR A 102 -4.463 10.337 -21.446 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.378 8.848 -23.126 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.143 10.144 -22.267 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.281 9.643 -20.565 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.142 8.415 -21.846 1.00 0.00 H new ATOM 1581 N GLY A 103 -6.863 8.253 -19.732 1.00 0.00 N ATOM 1582 CA GLY A 103 -8.313 8.304 -19.709 1.00 0.00 C ATOM 1583 C GLY A 103 -8.841 9.378 -18.779 1.00 0.00 C ATOM 1584 O GLY A 103 -8.196 10.407 -18.576 1.00 0.00 O ATOM 0 H GLY A 103 -6.425 8.121 -18.821 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.683 8.487 -20.718 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.703 7.335 -19.398 1.00 0.00 H new ATOM 1588 N THR A 104 -10.020 9.140 -18.211 1.00 0.00 N ATOM 1589 CA THR A 104 -10.636 10.096 -17.300 1.00 0.00 C ATOM 1590 C THR A 104 -11.147 9.404 -16.042 1.00 0.00 C ATOM 1591 O THR A 104 -11.965 8.487 -16.115 1.00 0.00 O ATOM 1592 CB THR A 104 -11.803 10.842 -17.973 1.00 0.00 C ATOM 1593 OG1 THR A 104 -11.332 11.556 -19.121 1.00 0.00 O ATOM 1594 CG2 THR A 104 -12.459 11.810 -17.000 1.00 0.00 C ATOM 0 H THR A 104 -10.567 8.293 -18.366 1.00 0.00 H new ATOM 0 HA THR A 104 -9.864 10.816 -17.028 1.00 0.00 H new ATOM 0 HB THR A 104 -12.545 10.106 -18.284 1.00 0.00 H new ATOM 0 HG1 THR A 104 -12.081 12.026 -19.544 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.280 12.325 -17.498 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.843 11.259 -16.142 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.724 12.541 -16.662 1.00 0.00 H new ATOM 1602 N SER A 105 -10.662 9.850 -14.887 1.00 0.00 N ATOM 1603 CA SER A 105 -11.068 9.271 -13.612 1.00 0.00 C ATOM 1604 C SER A 105 -11.928 10.252 -12.820 1.00 0.00 C ATOM 1605 O SER A 105 -12.125 11.396 -13.230 1.00 0.00 O ATOM 1606 CB SER A 105 -9.838 8.876 -12.792 1.00 0.00 C ATOM 1607 OG SER A 105 -9.100 10.020 -12.397 1.00 0.00 O ATOM 0 H SER A 105 -9.987 10.611 -14.809 1.00 0.00 H new ATOM 0 HA SER A 105 -11.660 8.379 -13.818 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.149 8.318 -11.909 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.202 8.214 -13.380 1.00 0.00 H new ATOM 0 HG SER A 105 -8.320 9.741 -11.873 1.00 0.00 H new ATOM 1613 N THR A 106 -12.439 9.794 -11.681 1.00 0.00 N ATOM 1614 CA THR A 106 -13.279 10.629 -10.831 1.00 0.00 C ATOM 1615 C THR A 106 -12.648 10.825 -9.458 1.00 0.00 C ATOM 1616 O THR A 106 -12.888 10.045 -8.536 1.00 0.00 O ATOM 1617 CB THR A 106 -14.683 10.018 -10.656 1.00 0.00 C ATOM 1618 OG1 THR A 106 -14.581 8.713 -10.078 1.00 0.00 O ATOM 1619 CG2 THR A 106 -15.406 9.932 -11.992 1.00 0.00 C ATOM 0 H THR A 106 -12.286 8.850 -11.326 1.00 0.00 H new ATOM 0 HA THR A 106 -13.370 11.595 -11.327 1.00 0.00 H new ATOM 0 HB THR A 106 -15.256 10.665 -9.992 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.994 8.747 -9.294 1.00 0.00 H new ATOM 0 HG21 THR A 106 -16.395 9.498 -11.843 1.00 0.00 H new ATOM 0 HG22 THR A 106 -15.509 10.931 -12.415 1.00 0.00 H new ATOM 0 HG23 THR A 106 -14.833 9.305 -12.676 1.00 0.00 H new ATOM 1627 N SER A 107 -11.840 11.873 -9.327 1.00 0.00 N ATOM 1628 CA SER A 107 -11.172 12.170 -8.066 1.00 0.00 C ATOM 1629 C SER A 107 -12.190 12.396 -6.952 1.00 0.00 C ATOM 1630 O SER A 107 -13.383 12.554 -7.209 1.00 0.00 O ATOM 1631 CB SER A 107 -10.280 13.404 -8.215 1.00 0.00 C ATOM 1632 OG SER A 107 -11.053 14.566 -8.455 1.00 0.00 O ATOM 0 H SER A 107 -11.633 12.530 -10.079 1.00 0.00 H new ATOM 0 HA SER A 107 -10.553 11.313 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.686 13.539 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.580 13.253 -9.037 1.00 0.00 H new ATOM 0 HG SER A 107 -10.460 15.341 -8.545 1.00 0.00 H new ATOM 1638 N SER A 108 -11.708 12.411 -5.713 1.00 0.00 N ATOM 1639 CA SER A 108 -12.575 12.615 -4.558 1.00 0.00 C ATOM 1640 C SER A 108 -12.405 14.021 -3.992 1.00 0.00 C ATOM 1641 O SER A 108 -11.436 14.714 -4.303 1.00 0.00 O ATOM 1642 CB SER A 108 -12.270 11.577 -3.476 1.00 0.00 C ATOM 1643 OG SER A 108 -12.542 10.265 -3.937 1.00 0.00 O ATOM 0 H SER A 108 -10.722 12.284 -5.483 1.00 0.00 H new ATOM 0 HA SER A 108 -13.608 12.497 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.224 11.652 -3.180 1.00 0.00 H new ATOM 0 HB3 SER A 108 -12.868 11.785 -2.589 1.00 0.00 H new ATOM 0 HG SER A 108 -12.337 9.620 -3.228 1.00 0.00 H new ATOM 1649 N SER A 109 -13.354 14.436 -3.159 1.00 0.00 N ATOM 1650 CA SER A 109 -13.313 15.761 -2.552 1.00 0.00 C ATOM 1651 C SER A 109 -13.191 15.660 -1.035 1.00 0.00 C ATOM 1652 O SER A 109 -14.097 15.175 -0.359 1.00 0.00 O ATOM 1653 CB SER A 109 -14.568 16.554 -2.922 1.00 0.00 C ATOM 1654 OG SER A 109 -14.496 17.881 -2.431 1.00 0.00 O ATOM 0 H SER A 109 -14.161 13.873 -2.889 1.00 0.00 H new ATOM 0 HA SER A 109 -12.436 16.282 -2.936 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.686 16.570 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.449 16.059 -2.513 1.00 0.00 H new ATOM 0 HG SER A 109 -15.309 18.367 -2.682 1.00 0.00 H new ATOM 1660 N GLY A 110 -12.062 16.121 -0.506 1.00 0.00 N ATOM 1661 CA GLY A 110 -11.840 16.074 0.927 1.00 0.00 C ATOM 1662 C GLY A 110 -11.239 14.757 1.378 1.00 0.00 C ATOM 1663 O GLY A 110 -11.949 13.813 1.724 1.00 0.00 O ATOM 0 H GLY A 110 -11.297 16.526 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.177 16.890 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.786 16.234 1.444 1.00 0.00 H new ATOM 1667 N PRO A 111 -9.900 14.682 1.375 1.00 0.00 N ATOM 1668 CA PRO A 111 -9.174 13.475 1.783 1.00 0.00 C ATOM 1669 C PRO A 111 -9.284 13.211 3.280 1.00 0.00 C ATOM 1670 O PRO A 111 -9.415 14.141 4.076 1.00 0.00 O ATOM 1671 CB PRO A 111 -7.726 13.785 1.399 1.00 0.00 C ATOM 1672 CG PRO A 111 -7.641 15.273 1.412 1.00 0.00 C ATOM 1673 CD PRO A 111 -8.991 15.768 0.974 1.00 0.00 C ATOM 0 HA PRO A 111 -9.573 12.579 1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -7.025 13.342 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.482 13.383 0.416 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.395 15.641 2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.859 15.625 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.251 16.709 1.459 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.025 15.944 -0.101 1.00 0.00 H new ATOM 1681 N SER A 112 -9.229 11.938 3.658 1.00 0.00 N ATOM 1682 CA SER A 112 -9.326 11.551 5.061 1.00 0.00 C ATOM 1683 C SER A 112 -7.945 11.512 5.709 1.00 0.00 C ATOM 1684 O SER A 112 -7.042 10.825 5.231 1.00 0.00 O ATOM 1685 CB SER A 112 -10.002 10.185 5.190 1.00 0.00 C ATOM 1686 OG SER A 112 -11.400 10.287 4.982 1.00 0.00 O ATOM 0 H SER A 112 -9.118 11.156 3.012 1.00 0.00 H new ATOM 0 HA SER A 112 -9.930 12.297 5.578 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.573 9.493 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.807 9.771 6.179 1.00 0.00 H new ATOM 0 HG SER A 112 -11.809 9.401 5.068 1.00 0.00 H new ATOM 1692 N SER A 113 -7.790 12.253 6.802 1.00 0.00 N ATOM 1693 CA SER A 113 -6.519 12.306 7.515 1.00 0.00 C ATOM 1694 C SER A 113 -6.012 10.902 7.826 1.00 0.00 C ATOM 1695 O SER A 113 -6.795 9.992 8.097 1.00 0.00 O ATOM 1696 CB SER A 113 -6.671 13.105 8.811 1.00 0.00 C ATOM 1697 OG SER A 113 -6.574 14.497 8.566 1.00 0.00 O ATOM 0 H SER A 113 -8.528 12.824 7.213 1.00 0.00 H new ATOM 0 HA SER A 113 -5.791 12.802 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.634 12.880 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.901 12.803 9.521 1.00 0.00 H new ATOM 0 HG SER A 113 -6.676 14.985 9.409 1.00 0.00 H new ATOM 1703 N GLY A 114 -4.693 10.733 7.785 1.00 0.00 N ATOM 1704 CA GLY A 114 -4.102 9.437 8.064 1.00 0.00 C ATOM 1705 C GLY A 114 -3.994 9.157 9.550 1.00 0.00 C ATOM 1706 O GLY A 114 -4.288 10.045 10.350 1.00 0.00 O ATOM 0 H GLY A 114 -4.024 11.470 7.564 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -4.702 8.658 7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -3.110 9.389 7.615 1.00 0.00 H new TER 1710 GLY A 114 HETATM 1711 ZN ZN A 200 -5.105 -0.384 -7.093 1.00 0.00 ZN