USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 150:sc= 0.0027 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0669 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0338 USER MOD Single : A 5 SER OG : rot 28:sc= 0.687 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot -130:sc= -0.156 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -155:sc= -0.086 (180deg=-0.635) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= -0.703 (180deg=-2.44!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 130:sc= 0 USER MOD Single : A 78 TYR OH : rot 176:sc= 1.23 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -5.16! C(o=-5.2!,f=-8.3!) USER MOD Single : A 92 SER OG : rot 26:sc= -0.409 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -125:sc= -0.41 (180deg=-2.04) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 41:sc= 0.431 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.409 28.057 -16.411 1.00 0.00 N ATOM 2 CA GLY A 1 20.842 26.720 -16.047 1.00 0.00 C ATOM 3 C GLY A 1 22.004 26.732 -15.073 1.00 0.00 C ATOM 4 O GLY A 1 22.302 27.760 -14.465 1.00 0.00 O ATOM 0 H1 GLY A 1 19.400 28.169 -16.184 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.964 28.758 -15.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.552 28.203 -17.431 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.006 26.179 -15.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.132 26.178 -16.947 1.00 0.00 H new ATOM 8 N SER A 2 22.660 25.586 -14.922 1.00 0.00 N ATOM 9 CA SER A 2 23.791 25.467 -14.010 1.00 0.00 C ATOM 10 C SER A 2 23.394 25.877 -12.595 1.00 0.00 C ATOM 11 O SER A 2 24.138 26.576 -11.908 1.00 0.00 O ATOM 12 CB SER A 2 24.957 26.331 -14.495 1.00 0.00 C ATOM 13 OG SER A 2 26.200 25.786 -14.088 1.00 0.00 O ATOM 0 H SER A 2 22.427 24.727 -15.420 1.00 0.00 H new ATOM 0 HA SER A 2 24.104 24.423 -13.993 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.929 26.408 -15.582 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.853 27.342 -14.101 1.00 0.00 H new ATOM 0 HG SER A 2 26.929 26.356 -14.412 1.00 0.00 H new ATOM 19 N SER A 3 22.216 25.436 -12.167 1.00 0.00 N ATOM 20 CA SER A 3 21.716 25.760 -10.836 1.00 0.00 C ATOM 21 C SER A 3 22.771 25.464 -9.774 1.00 0.00 C ATOM 22 O SER A 3 23.415 24.416 -9.797 1.00 0.00 O ATOM 23 CB SER A 3 20.441 24.967 -10.540 1.00 0.00 C ATOM 24 OG SER A 3 20.738 23.609 -10.263 1.00 0.00 O ATOM 0 H SER A 3 21.590 24.853 -12.722 1.00 0.00 H new ATOM 0 HA SER A 3 21.487 26.825 -10.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.923 25.410 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.765 25.028 -11.393 1.00 0.00 H new ATOM 0 HG SER A 3 19.907 23.124 -10.075 1.00 0.00 H new ATOM 30 N GLY A 4 22.941 26.397 -8.842 1.00 0.00 N ATOM 31 CA GLY A 4 23.918 26.220 -7.784 1.00 0.00 C ATOM 32 C GLY A 4 23.531 25.118 -6.817 1.00 0.00 C ATOM 33 O GLY A 4 24.383 24.355 -6.361 1.00 0.00 O ATOM 0 H GLY A 4 22.419 27.272 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.888 25.989 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.031 27.156 -7.237 1.00 0.00 H new ATOM 37 N SER A 5 22.243 25.035 -6.501 1.00 0.00 N ATOM 38 CA SER A 5 21.746 24.022 -5.578 1.00 0.00 C ATOM 39 C SER A 5 20.821 23.041 -6.293 1.00 0.00 C ATOM 40 O SER A 5 19.755 23.418 -6.779 1.00 0.00 O ATOM 41 CB SER A 5 21.004 24.683 -4.414 1.00 0.00 C ATOM 42 OG SER A 5 19.828 25.333 -4.862 1.00 0.00 O ATOM 0 H SER A 5 21.524 25.657 -6.871 1.00 0.00 H new ATOM 0 HA SER A 5 22.602 23.470 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.746 23.930 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.658 25.405 -3.925 1.00 0.00 H new ATOM 0 HG SER A 5 19.490 24.882 -5.664 1.00 0.00 H new ATOM 48 N SER A 6 21.239 21.781 -6.353 1.00 0.00 N ATOM 49 CA SER A 6 20.452 20.745 -7.012 1.00 0.00 C ATOM 50 C SER A 6 20.503 19.440 -6.224 1.00 0.00 C ATOM 51 O SER A 6 21.548 19.060 -5.697 1.00 0.00 O ATOM 52 CB SER A 6 20.962 20.515 -8.436 1.00 0.00 C ATOM 53 OG SER A 6 22.335 20.162 -8.435 1.00 0.00 O ATOM 0 H SER A 6 22.118 21.453 -5.953 1.00 0.00 H new ATOM 0 HA SER A 6 19.417 21.083 -7.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.380 19.725 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.816 21.418 -9.028 1.00 0.00 H new ATOM 0 HG SER A 6 22.637 20.019 -9.356 1.00 0.00 H new ATOM 59 N GLY A 7 19.365 18.756 -6.149 1.00 0.00 N ATOM 60 CA GLY A 7 19.300 17.501 -5.424 1.00 0.00 C ATOM 61 C GLY A 7 18.062 17.395 -4.556 1.00 0.00 C ATOM 62 O GLY A 7 17.721 16.312 -4.080 1.00 0.00 O ATOM 0 H GLY A 7 18.487 19.049 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.314 16.674 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.187 17.400 -4.799 1.00 0.00 H new ATOM 66 N ILE A 8 17.388 18.522 -4.350 1.00 0.00 N ATOM 67 CA ILE A 8 16.181 18.550 -3.534 1.00 0.00 C ATOM 68 C ILE A 8 14.939 18.293 -4.380 1.00 0.00 C ATOM 69 O ILE A 8 14.810 18.814 -5.487 1.00 0.00 O ATOM 70 CB ILE A 8 16.024 19.900 -2.809 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.797 21.024 -3.821 1.00 0.00 C ATOM 72 CG2 ILE A 8 17.249 20.188 -1.954 1.00 0.00 C ATOM 73 CD1 ILE A 8 14.340 21.247 -4.161 1.00 0.00 C ATOM 0 H ILE A 8 17.657 19.427 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 8 16.283 17.757 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 8 15.154 19.845 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 8 16.215 21.949 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.344 20.794 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 8 17.123 21.145 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 8 17.369 19.399 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 8 18.135 20.227 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.255 22.058 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.922 20.335 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.791 21.508 -3.256 1.00 0.00 H new ATOM 85 N GLY A 9 14.024 17.487 -3.849 1.00 0.00 N ATOM 86 CA GLY A 9 12.803 17.176 -4.569 1.00 0.00 C ATOM 87 C GLY A 9 11.564 17.352 -3.712 1.00 0.00 C ATOM 88 O GLY A 9 11.656 17.750 -2.551 1.00 0.00 O ATOM 0 H GLY A 9 14.107 17.044 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.728 17.818 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.849 16.148 -4.929 1.00 0.00 H new ATOM 92 N ASP A 10 10.403 17.059 -4.287 1.00 0.00 N ATOM 93 CA ASP A 10 9.141 17.188 -3.568 1.00 0.00 C ATOM 94 C ASP A 10 8.249 15.974 -3.813 1.00 0.00 C ATOM 95 O ASP A 10 7.671 15.824 -4.889 1.00 0.00 O ATOM 96 CB ASP A 10 8.414 18.464 -3.996 1.00 0.00 C ATOM 97 CG ASP A 10 7.546 19.034 -2.891 1.00 0.00 C ATOM 98 OD1 ASP A 10 6.676 18.298 -2.381 1.00 0.00 O ATOM 99 OD2 ASP A 10 7.736 20.217 -2.537 1.00 0.00 O ATOM 0 H ASP A 10 10.310 16.731 -5.248 1.00 0.00 H new ATOM 0 HA ASP A 10 9.363 17.245 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.147 19.211 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.795 18.251 -4.867 1.00 0.00 H new ATOM 104 N ALA A 11 8.145 15.111 -2.808 1.00 0.00 N ATOM 105 CA ALA A 11 7.324 13.911 -2.914 1.00 0.00 C ATOM 106 C ALA A 11 5.915 14.251 -3.389 1.00 0.00 C ATOM 107 O ALA A 11 5.390 13.618 -4.305 1.00 0.00 O ATOM 108 CB ALA A 11 7.272 13.188 -1.577 1.00 0.00 C ATOM 0 H ALA A 11 8.619 15.220 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 11 7.780 13.252 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.656 12.294 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.281 12.904 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.842 13.848 -0.823 1.00 0.00 H new ATOM 114 N ARG A 12 5.308 15.252 -2.761 1.00 0.00 N ATOM 115 CA ARG A 12 3.959 15.673 -3.119 1.00 0.00 C ATOM 116 C ARG A 12 3.809 15.788 -4.633 1.00 0.00 C ATOM 117 O ARG A 12 2.759 15.465 -5.188 1.00 0.00 O ATOM 118 CB ARG A 12 3.629 17.014 -2.460 1.00 0.00 C ATOM 119 CG ARG A 12 3.373 16.912 -0.966 1.00 0.00 C ATOM 120 CD ARG A 12 4.663 16.679 -0.194 1.00 0.00 C ATOM 121 NE ARG A 12 4.579 17.177 1.176 1.00 0.00 N ATOM 122 CZ ARG A 12 4.429 18.461 1.484 1.00 0.00 C ATOM 123 NH1 ARG A 12 4.348 19.371 0.523 1.00 0.00 N ATOM 124 NH2 ARG A 12 4.361 18.837 2.754 1.00 0.00 N ATOM 0 H ARG A 12 5.729 15.787 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 12 3.262 14.917 -2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.453 17.706 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.749 17.439 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.897 17.827 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.678 16.096 -0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.889 15.613 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.488 17.172 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 12 4.639 16.502 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.401 19.086 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.233 20.356 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.424 18.140 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.246 19.823 2.988 1.00 0.00 H new ATOM 138 N ARG A 13 4.866 16.248 -5.294 1.00 0.00 N ATOM 139 CA ARG A 13 4.851 16.407 -6.743 1.00 0.00 C ATOM 140 C ARG A 13 4.965 15.053 -7.439 1.00 0.00 C ATOM 141 O ARG A 13 4.398 14.846 -8.511 1.00 0.00 O ATOM 142 CB ARG A 13 5.994 17.319 -7.190 1.00 0.00 C ATOM 143 CG ARG A 13 5.997 18.674 -6.500 1.00 0.00 C ATOM 144 CD ARG A 13 4.870 19.559 -7.007 1.00 0.00 C ATOM 145 NE ARG A 13 3.647 19.390 -6.226 1.00 0.00 N ATOM 146 CZ ARG A 13 2.460 19.842 -6.613 1.00 0.00 C ATOM 147 NH1 ARG A 13 2.335 20.488 -7.764 1.00 0.00 N ATOM 148 NH2 ARG A 13 1.393 19.648 -5.848 1.00 0.00 N ATOM 0 H ARG A 13 5.744 16.517 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 13 3.901 16.863 -7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.943 16.820 -6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.927 17.469 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.896 18.536 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.954 19.168 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.183 20.602 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.668 19.325 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 13 3.708 18.898 -5.335 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.152 20.639 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.422 20.834 -8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.484 19.151 -4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.482 19.996 -6.146 1.00 0.00 H new ATOM 162 N ALA A 14 5.702 14.136 -6.821 1.00 0.00 N ATOM 163 CA ALA A 14 5.889 12.803 -7.380 1.00 0.00 C ATOM 164 C ALA A 14 4.549 12.115 -7.619 1.00 0.00 C ATOM 165 O ALA A 14 3.681 12.104 -6.746 1.00 0.00 O ATOM 166 CB ALA A 14 6.760 11.962 -6.459 1.00 0.00 C ATOM 0 H ALA A 14 6.179 14.292 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 14 6.391 12.906 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.891 10.969 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.733 12.439 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.280 11.875 -5.484 1.00 0.00 H new ATOM 172 N LYS A 15 4.387 11.541 -8.806 1.00 0.00 N ATOM 173 CA LYS A 15 3.153 10.850 -9.160 1.00 0.00 C ATOM 174 C LYS A 15 3.400 9.356 -9.345 1.00 0.00 C ATOM 175 O LYS A 15 4.513 8.935 -9.664 1.00 0.00 O ATOM 176 CB LYS A 15 2.562 11.442 -10.441 1.00 0.00 C ATOM 177 CG LYS A 15 1.602 12.592 -10.193 1.00 0.00 C ATOM 178 CD LYS A 15 1.070 13.166 -11.496 1.00 0.00 C ATOM 179 CE LYS A 15 -0.053 12.312 -12.064 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.654 12.924 -13.281 1.00 0.00 N ATOM 0 H LYS A 15 5.095 11.541 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 15 2.444 10.985 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.374 11.789 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.041 10.656 -10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.770 12.246 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.109 13.375 -9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.708 14.180 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.880 13.234 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.332 11.322 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.825 12.177 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.415 12.312 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.044 13.858 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.077 13.030 -14.013 1.00 0.00 H new ATOM 194 N VAL A 16 2.356 8.559 -9.144 1.00 0.00 N ATOM 195 CA VAL A 16 2.460 7.112 -9.291 1.00 0.00 C ATOM 196 C VAL A 16 1.271 6.552 -10.064 1.00 0.00 C ATOM 197 O VAL A 16 0.117 6.788 -9.707 1.00 0.00 O ATOM 198 CB VAL A 16 2.541 6.413 -7.921 1.00 0.00 C ATOM 199 CG1 VAL A 16 3.946 6.523 -7.348 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.518 7.000 -6.961 1.00 0.00 C ATOM 0 H VAL A 16 1.429 8.891 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 16 3.377 6.915 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 16 2.311 5.356 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.984 6.024 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.654 6.050 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.207 7.574 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.590 6.494 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.713 8.064 -6.827 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.516 6.864 -7.369 1.00 0.00 H new ATOM 210 N TYR A 17 1.562 5.808 -11.126 1.00 0.00 N ATOM 211 CA TYR A 17 0.517 5.215 -11.953 1.00 0.00 C ATOM 212 C TYR A 17 0.933 3.834 -12.450 1.00 0.00 C ATOM 213 O TYR A 17 2.069 3.633 -12.880 1.00 0.00 O ATOM 214 CB TYR A 17 0.201 6.124 -13.142 1.00 0.00 C ATOM 215 CG TYR A 17 1.424 6.775 -13.748 1.00 0.00 C ATOM 216 CD1 TYR A 17 1.917 7.973 -13.246 1.00 0.00 C ATOM 217 CD2 TYR A 17 2.085 6.193 -14.822 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.034 8.573 -13.797 1.00 0.00 C ATOM 219 CE2 TYR A 17 3.203 6.784 -15.378 1.00 0.00 C ATOM 220 CZ TYR A 17 3.673 7.974 -14.862 1.00 0.00 C ATOM 221 OH TYR A 17 4.786 8.567 -15.414 1.00 0.00 O ATOM 0 H TYR A 17 2.512 5.601 -11.434 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.378 5.106 -11.340 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.308 5.541 -13.909 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.492 6.901 -12.820 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.419 8.444 -12.411 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.719 5.262 -15.229 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.404 9.505 -13.396 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.706 6.317 -16.212 1.00 0.00 H new ATOM 0 HH TYR A 17 4.679 8.621 -16.387 1.00 0.00 H new ATOM 231 N GLY A 18 0.004 2.885 -12.388 1.00 0.00 N ATOM 232 CA GLY A 18 0.293 1.535 -12.835 1.00 0.00 C ATOM 233 C GLY A 18 -0.875 0.592 -12.623 1.00 0.00 C ATOM 234 O GLY A 18 -2.033 1.008 -12.666 1.00 0.00 O ATOM 0 H GLY A 18 -0.943 3.027 -12.036 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.553 1.554 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.164 1.157 -12.299 1.00 0.00 H new ATOM 238 N ARG A 19 -0.572 -0.681 -12.396 1.00 0.00 N ATOM 239 CA ARG A 19 -1.606 -1.686 -12.180 1.00 0.00 C ATOM 240 C ARG A 19 -1.436 -2.357 -10.820 1.00 0.00 C ATOM 241 O ARG A 19 -2.403 -2.828 -10.223 1.00 0.00 O ATOM 242 CB ARG A 19 -1.563 -2.739 -13.288 1.00 0.00 C ATOM 243 CG ARG A 19 -2.794 -3.630 -13.330 1.00 0.00 C ATOM 244 CD ARG A 19 -2.751 -4.586 -14.512 1.00 0.00 C ATOM 245 NE ARG A 19 -2.037 -5.819 -14.193 1.00 0.00 N ATOM 246 CZ ARG A 19 -2.465 -6.706 -13.301 1.00 0.00 C ATOM 247 NH1 ARG A 19 -3.597 -6.498 -12.644 1.00 0.00 N ATOM 248 NH2 ARG A 19 -1.760 -7.806 -13.066 1.00 0.00 N ATOM 0 H ARG A 19 0.381 -1.042 -12.357 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.574 -1.185 -12.201 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.455 -2.238 -14.250 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.679 -3.362 -13.152 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.864 -4.199 -12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.690 -3.012 -13.393 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.768 -4.826 -14.821 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.268 -4.096 -15.357 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.162 -6.010 -14.681 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.143 -5.655 -12.822 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.923 -7.181 -11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.889 -7.971 -13.570 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.089 -8.486 -12.381 1.00 0.00 H new ATOM 262 N GLY A 20 -0.198 -2.396 -10.335 1.00 0.00 N ATOM 263 CA GLY A 20 0.076 -3.011 -9.050 1.00 0.00 C ATOM 264 C GLY A 20 -0.048 -2.032 -7.900 1.00 0.00 C ATOM 265 O GLY A 20 0.492 -2.262 -6.817 1.00 0.00 O ATOM 0 H GLY A 20 0.619 -2.013 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.614 -3.840 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.082 -3.431 -9.059 1.00 0.00 H new ATOM 269 N LEU A 21 -0.761 -0.935 -8.133 1.00 0.00 N ATOM 270 CA LEU A 21 -0.953 0.085 -7.108 1.00 0.00 C ATOM 271 C LEU A 21 -2.391 0.080 -6.599 1.00 0.00 C ATOM 272 O LEU A 21 -2.645 0.348 -5.424 1.00 0.00 O ATOM 273 CB LEU A 21 -0.602 1.466 -7.663 1.00 0.00 C ATOM 274 CG LEU A 21 0.818 1.630 -8.206 1.00 0.00 C ATOM 275 CD1 LEU A 21 1.005 3.016 -8.803 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.842 1.377 -7.108 1.00 0.00 C ATOM 0 H LEU A 21 -1.216 -0.729 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.290 -0.144 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.305 1.704 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.755 2.202 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 21 0.972 0.894 -8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.021 3.114 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.296 3.160 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.831 3.770 -8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.847 1.498 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.689 2.089 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.724 0.362 -6.727 1.00 0.00 H new ATOM 288 N SER A 22 -3.328 -0.230 -7.489 1.00 0.00 N ATOM 289 CA SER A 22 -4.741 -0.269 -7.130 1.00 0.00 C ATOM 290 C SER A 22 -5.216 -1.707 -6.949 1.00 0.00 C ATOM 291 O SER A 22 -5.741 -2.070 -5.897 1.00 0.00 O ATOM 292 CB SER A 22 -5.581 0.427 -8.203 1.00 0.00 C ATOM 293 OG SER A 22 -6.803 0.902 -7.665 1.00 0.00 O ATOM 0 H SER A 22 -3.134 -0.458 -8.464 1.00 0.00 H new ATOM 0 HA SER A 22 -4.865 0.258 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.019 1.259 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.784 -0.268 -9.018 1.00 0.00 H new ATOM 0 HG SER A 22 -7.321 1.344 -8.370 1.00 0.00 H new ATOM 299 N GLU A 23 -5.027 -2.520 -7.984 1.00 0.00 N ATOM 300 CA GLU A 23 -5.437 -3.919 -7.940 1.00 0.00 C ATOM 301 C GLU A 23 -4.248 -4.843 -8.188 1.00 0.00 C ATOM 302 O GLU A 23 -3.121 -4.386 -8.373 1.00 0.00 O ATOM 303 CB GLU A 23 -6.530 -4.186 -8.977 1.00 0.00 C ATOM 304 CG GLU A 23 -6.210 -3.630 -10.354 1.00 0.00 C ATOM 305 CD GLU A 23 -6.698 -2.205 -10.536 1.00 0.00 C ATOM 306 OE1 GLU A 23 -7.723 -1.847 -9.919 1.00 0.00 O ATOM 307 OE2 GLU A 23 -6.056 -1.450 -11.295 1.00 0.00 O ATOM 0 H GLU A 23 -4.593 -2.234 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.832 -4.124 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.689 -5.261 -9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.466 -3.750 -8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.132 -3.664 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.665 -4.266 -11.113 1.00 0.00 H new ATOM 314 N GLY A 24 -4.509 -6.147 -8.189 1.00 0.00 N ATOM 315 CA GLY A 24 -3.452 -7.115 -8.414 1.00 0.00 C ATOM 316 C GLY A 24 -3.924 -8.543 -8.229 1.00 0.00 C ATOM 317 O GLY A 24 -5.072 -8.780 -7.852 1.00 0.00 O ATOM 0 H GLY A 24 -5.434 -6.550 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.061 -6.993 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.629 -6.916 -7.727 1.00 0.00 H new ATOM 321 N ARG A 25 -3.038 -9.497 -8.496 1.00 0.00 N ATOM 322 CA ARG A 25 -3.372 -10.909 -8.359 1.00 0.00 C ATOM 323 C ARG A 25 -2.149 -11.719 -7.938 1.00 0.00 C ATOM 324 O ARG A 25 -1.012 -11.268 -8.083 1.00 0.00 O ATOM 325 CB ARG A 25 -3.929 -11.454 -9.677 1.00 0.00 C ATOM 326 CG ARG A 25 -5.430 -11.269 -9.826 1.00 0.00 C ATOM 327 CD ARG A 25 -5.969 -12.035 -11.024 1.00 0.00 C ATOM 328 NE ARG A 25 -5.589 -11.410 -12.289 1.00 0.00 N ATOM 329 CZ ARG A 25 -6.106 -10.268 -12.728 1.00 0.00 C ATOM 330 NH1 ARG A 25 -7.018 -9.629 -12.009 1.00 0.00 N ATOM 331 NH2 ARG A 25 -5.710 -9.763 -13.890 1.00 0.00 N ATOM 0 H ARG A 25 -2.084 -9.317 -8.808 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.133 -11.003 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.426 -10.958 -10.507 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.693 -12.516 -9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.931 -11.609 -8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.658 -10.209 -9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.595 -13.058 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.056 -12.091 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.889 -11.876 -12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.325 -10.014 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.413 -8.752 -12.349 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.009 -10.252 -14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.107 -8.886 -14.227 1.00 0.00 H new ATOM 345 N THR A 26 -2.390 -12.917 -7.415 1.00 0.00 N ATOM 346 CA THR A 26 -1.310 -13.789 -6.972 1.00 0.00 C ATOM 347 C THR A 26 -0.610 -14.444 -8.157 1.00 0.00 C ATOM 348 O THR A 26 -1.234 -14.728 -9.180 1.00 0.00 O ATOM 349 CB THR A 26 -1.827 -14.888 -6.025 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.835 -15.665 -6.681 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.397 -14.281 -4.751 1.00 0.00 C ATOM 0 H THR A 26 -3.325 -13.306 -7.288 1.00 0.00 H new ATOM 0 HA THR A 26 -0.599 -13.162 -6.435 1.00 0.00 H new ATOM 0 HB THR A 26 -0.988 -15.531 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.157 -16.363 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.756 -15.076 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.620 -13.714 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.224 -13.617 -5.003 1.00 0.00 H new ATOM 359 N PHE A 27 0.690 -14.682 -8.013 1.00 0.00 N ATOM 360 CA PHE A 27 1.475 -15.304 -9.073 1.00 0.00 C ATOM 361 C PHE A 27 1.454 -14.451 -10.338 1.00 0.00 C ATOM 362 O PHE A 27 1.617 -14.961 -11.445 1.00 0.00 O ATOM 363 CB PHE A 27 0.938 -16.704 -9.380 1.00 0.00 C ATOM 364 CG PHE A 27 0.977 -17.633 -8.200 1.00 0.00 C ATOM 365 CD1 PHE A 27 2.146 -17.806 -7.476 1.00 0.00 C ATOM 366 CD2 PHE A 27 -0.155 -18.333 -7.815 1.00 0.00 C ATOM 367 CE1 PHE A 27 2.185 -18.660 -6.391 1.00 0.00 C ATOM 368 CE2 PHE A 27 -0.122 -19.189 -6.730 1.00 0.00 C ATOM 369 CZ PHE A 27 1.049 -19.352 -6.017 1.00 0.00 C ATOM 0 H PHE A 27 1.222 -14.454 -7.173 1.00 0.00 H new ATOM 0 HA PHE A 27 2.506 -15.385 -8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.090 -16.621 -9.733 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.520 -17.138 -10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.037 -17.267 -7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.074 -18.208 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.103 -18.787 -5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.011 -19.730 -6.440 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.077 -20.019 -5.168 1.00 0.00 H new ATOM 379 N GLU A 28 1.251 -13.149 -10.163 1.00 0.00 N ATOM 380 CA GLU A 28 1.207 -12.225 -11.290 1.00 0.00 C ATOM 381 C GLU A 28 2.119 -11.025 -11.046 1.00 0.00 C ATOM 382 O GLU A 28 1.906 -10.250 -10.114 1.00 0.00 O ATOM 383 CB GLU A 28 -0.226 -11.748 -11.532 1.00 0.00 C ATOM 384 CG GLU A 28 -1.053 -12.707 -12.373 1.00 0.00 C ATOM 385 CD GLU A 28 -0.784 -12.560 -13.858 1.00 0.00 C ATOM 386 OE1 GLU A 28 -0.904 -11.428 -14.373 1.00 0.00 O ATOM 387 OE2 GLU A 28 -0.456 -13.576 -14.505 1.00 0.00 O ATOM 0 H GLU A 28 1.115 -12.711 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 28 1.560 -12.755 -12.175 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.719 -11.603 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.198 -10.777 -12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.837 -13.731 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.112 -12.533 -12.180 1.00 0.00 H new ATOM 394 N MET A 29 3.136 -10.881 -11.890 1.00 0.00 N ATOM 395 CA MET A 29 4.080 -9.776 -11.767 1.00 0.00 C ATOM 396 C MET A 29 3.384 -8.439 -11.999 1.00 0.00 C ATOM 397 O MET A 29 3.035 -8.098 -13.129 1.00 0.00 O ATOM 398 CB MET A 29 5.229 -9.947 -12.762 1.00 0.00 C ATOM 399 CG MET A 29 6.430 -9.065 -12.459 1.00 0.00 C ATOM 400 SD MET A 29 7.985 -9.799 -13.004 1.00 0.00 S ATOM 401 CE MET A 29 8.726 -10.227 -11.430 1.00 0.00 C ATOM 0 H MET A 29 3.327 -11.515 -12.666 1.00 0.00 H new ATOM 0 HA MET A 29 4.482 -9.784 -10.754 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.545 -10.990 -12.764 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.867 -9.722 -13.765 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.298 -8.099 -12.946 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.477 -8.878 -11.386 1.00 0.00 H new ATOM 0 HE1 MET A 29 9.810 -10.267 -11.537 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.462 -9.474 -10.687 1.00 0.00 H new ATOM 0 HE3 MET A 29 8.357 -11.201 -11.107 1.00 0.00 H new ATOM 411 N SER A 30 3.187 -7.685 -10.922 1.00 0.00 N ATOM 412 CA SER A 30 2.529 -6.386 -11.008 1.00 0.00 C ATOM 413 C SER A 30 3.533 -5.255 -10.808 1.00 0.00 C ATOM 414 O SER A 30 4.144 -5.134 -9.746 1.00 0.00 O ATOM 415 CB SER A 30 1.414 -6.285 -9.966 1.00 0.00 C ATOM 416 OG SER A 30 0.509 -7.369 -10.080 1.00 0.00 O ATOM 0 H SER A 30 3.474 -7.951 -9.980 1.00 0.00 H new ATOM 0 HA SER A 30 2.095 -6.291 -12.003 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.847 -6.273 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.878 -5.345 -10.093 1.00 0.00 H new ATOM 0 HG SER A 30 -0.193 -7.282 -9.402 1.00 0.00 H new ATOM 422 N ASP A 31 3.697 -4.429 -11.835 1.00 0.00 N ATOM 423 CA ASP A 31 4.626 -3.306 -11.773 1.00 0.00 C ATOM 424 C ASP A 31 3.905 -1.990 -12.046 1.00 0.00 C ATOM 425 O ASP A 31 2.796 -1.976 -12.581 1.00 0.00 O ATOM 426 CB ASP A 31 5.760 -3.499 -12.781 1.00 0.00 C ATOM 427 CG ASP A 31 5.306 -4.222 -14.033 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.124 -4.073 -14.409 1.00 0.00 O ATOM 429 OD2 ASP A 31 6.132 -4.936 -14.638 1.00 0.00 O ATOM 0 H ASP A 31 3.199 -4.516 -12.721 1.00 0.00 H new ATOM 0 HA ASP A 31 5.046 -3.268 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.168 -2.526 -13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.567 -4.062 -12.312 1.00 0.00 H new ATOM 434 N PHE A 32 4.542 -0.885 -11.673 1.00 0.00 N ATOM 435 CA PHE A 32 3.961 0.438 -11.875 1.00 0.00 C ATOM 436 C PHE A 32 5.049 1.478 -12.121 1.00 0.00 C ATOM 437 O PHE A 32 6.223 1.245 -11.829 1.00 0.00 O ATOM 438 CB PHE A 32 3.120 0.839 -10.661 1.00 0.00 C ATOM 439 CG PHE A 32 3.856 0.722 -9.357 1.00 0.00 C ATOM 440 CD1 PHE A 32 3.923 -0.491 -8.691 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.480 1.825 -8.797 1.00 0.00 C ATOM 442 CE1 PHE A 32 4.599 -0.602 -7.491 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.158 1.720 -7.598 1.00 0.00 C ATOM 444 CZ PHE A 32 5.217 0.505 -6.943 1.00 0.00 C ATOM 0 H PHE A 32 5.460 -0.879 -11.229 1.00 0.00 H new ATOM 0 HA PHE A 32 3.319 0.396 -12.755 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.782 1.867 -10.787 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.229 0.213 -10.624 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.441 -1.360 -9.115 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.436 2.778 -9.304 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.644 -1.553 -6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.642 2.587 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.745 0.421 -6.005 1.00 0.00 H new ATOM 454 N ILE A 33 4.651 2.626 -12.659 1.00 0.00 N ATOM 455 CA ILE A 33 5.592 3.702 -12.944 1.00 0.00 C ATOM 456 C ILE A 33 5.600 4.736 -11.824 1.00 0.00 C ATOM 457 O ILE A 33 4.612 4.899 -11.108 1.00 0.00 O ATOM 458 CB ILE A 33 5.258 4.405 -14.273 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.788 3.589 -15.454 1.00 0.00 C ATOM 460 CG2 ILE A 33 5.839 5.811 -14.290 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.266 3.280 -15.359 1.00 0.00 C ATOM 0 H ILE A 33 3.684 2.835 -12.906 1.00 0.00 H new ATOM 0 HA ILE A 33 6.579 3.246 -13.022 1.00 0.00 H new ATOM 0 HB ILE A 33 4.174 4.480 -14.365 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.233 2.653 -15.517 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.598 4.136 -16.378 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.594 6.294 -15.236 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.418 6.389 -13.467 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.922 5.758 -14.179 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.573 2.699 -16.229 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.831 4.212 -15.327 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.460 2.706 -14.453 1.00 0.00 H new ATOM 473 N VAL A 34 6.721 5.435 -11.678 1.00 0.00 N ATOM 474 CA VAL A 34 6.858 6.456 -10.646 1.00 0.00 C ATOM 475 C VAL A 34 7.394 7.758 -11.230 1.00 0.00 C ATOM 476 O VAL A 34 8.597 7.905 -11.446 1.00 0.00 O ATOM 477 CB VAL A 34 7.794 5.990 -9.515 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.054 7.124 -8.536 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.205 4.782 -8.801 1.00 0.00 C ATOM 0 H VAL A 34 7.548 5.313 -12.262 1.00 0.00 H new ATOM 0 HA VAL A 34 5.863 6.627 -10.236 1.00 0.00 H new ATOM 0 HB VAL A 34 8.747 5.695 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.717 6.776 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.521 7.958 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.110 7.452 -8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.879 4.466 -8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.238 5.048 -8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.076 3.966 -9.512 1.00 0.00 H new ATOM 489 N ASP A 35 6.493 8.701 -11.483 1.00 0.00 N ATOM 490 CA ASP A 35 6.875 9.994 -12.040 1.00 0.00 C ATOM 491 C ASP A 35 7.489 10.888 -10.968 1.00 0.00 C ATOM 492 O ASP A 35 6.795 11.368 -10.071 1.00 0.00 O ATOM 493 CB ASP A 35 5.660 10.684 -12.663 1.00 0.00 C ATOM 494 CG ASP A 35 5.912 12.151 -12.951 1.00 0.00 C ATOM 495 OD1 ASP A 35 5.936 12.948 -11.991 1.00 0.00 O ATOM 496 OD2 ASP A 35 6.084 12.501 -14.138 1.00 0.00 O ATOM 0 H ASP A 35 5.493 8.595 -11.311 1.00 0.00 H new ATOM 0 HA ASP A 35 7.622 9.821 -12.815 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.392 10.176 -13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.808 10.590 -11.990 1.00 0.00 H new ATOM 501 N THR A 36 8.797 11.108 -11.066 1.00 0.00 N ATOM 502 CA THR A 36 9.505 11.942 -10.103 1.00 0.00 C ATOM 503 C THR A 36 10.254 13.071 -10.801 1.00 0.00 C ATOM 504 O THR A 36 10.645 14.053 -10.170 1.00 0.00 O ATOM 505 CB THR A 36 10.505 11.116 -9.272 1.00 0.00 C ATOM 506 OG1 THR A 36 11.322 10.320 -10.138 1.00 0.00 O ATOM 507 CG2 THR A 36 9.774 10.215 -8.287 1.00 0.00 C ATOM 0 H THR A 36 9.387 10.720 -11.802 1.00 0.00 H new ATOM 0 HA THR A 36 8.752 12.365 -9.437 1.00 0.00 H new ATOM 0 HB THR A 36 11.136 11.806 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.956 9.799 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.500 9.641 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.175 10.825 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.123 9.532 -8.833 1.00 0.00 H new ATOM 515 N ARG A 37 10.451 12.926 -12.108 1.00 0.00 N ATOM 516 CA ARG A 37 11.155 13.934 -12.891 1.00 0.00 C ATOM 517 C ARG A 37 10.515 15.308 -12.709 1.00 0.00 C ATOM 518 O ARG A 37 11.192 16.333 -12.787 1.00 0.00 O ATOM 519 CB ARG A 37 11.154 13.552 -14.373 1.00 0.00 C ATOM 520 CG ARG A 37 9.771 13.232 -14.918 1.00 0.00 C ATOM 521 CD ARG A 37 9.827 12.853 -16.390 1.00 0.00 C ATOM 522 NE ARG A 37 8.598 12.202 -16.834 1.00 0.00 N ATOM 523 CZ ARG A 37 8.330 11.927 -18.106 1.00 0.00 C ATOM 524 NH1 ARG A 37 9.201 12.245 -19.054 1.00 0.00 N ATOM 525 NH2 ARG A 37 7.190 11.333 -18.432 1.00 0.00 N ATOM 0 H ARG A 37 10.133 12.120 -12.646 1.00 0.00 H new ATOM 0 HA ARG A 37 12.184 13.981 -12.535 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.583 14.371 -14.951 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.801 12.687 -14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.334 12.413 -14.347 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.119 14.095 -14.788 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.000 13.747 -16.988 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.672 12.187 -16.561 1.00 0.00 H new ATOM 0 HE ARG A 37 7.907 11.944 -16.129 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.079 12.702 -18.807 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.993 12.033 -20.030 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.517 11.087 -17.706 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.986 11.123 -19.409 1.00 0.00 H new ATOM 539 N ASP A 38 9.209 15.319 -12.467 1.00 0.00 N ATOM 540 CA ASP A 38 8.478 16.566 -12.273 1.00 0.00 C ATOM 541 C ASP A 38 8.645 17.077 -10.846 1.00 0.00 C ATOM 542 O ASP A 38 8.440 18.259 -10.571 1.00 0.00 O ATOM 543 CB ASP A 38 6.994 16.366 -12.586 1.00 0.00 C ATOM 544 CG ASP A 38 6.334 17.633 -13.093 1.00 0.00 C ATOM 545 OD1 ASP A 38 7.022 18.434 -13.760 1.00 0.00 O ATOM 546 OD2 ASP A 38 5.130 17.824 -12.822 1.00 0.00 O ATOM 0 H ASP A 38 8.635 14.479 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 38 8.889 17.309 -12.956 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.886 15.579 -13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.479 16.026 -11.688 1.00 0.00 H new ATOM 551 N ALA A 39 9.019 16.179 -9.940 1.00 0.00 N ATOM 552 CA ALA A 39 9.214 16.539 -8.542 1.00 0.00 C ATOM 553 C ALA A 39 10.610 17.108 -8.311 1.00 0.00 C ATOM 554 O ALA A 39 10.764 18.197 -7.760 1.00 0.00 O ATOM 555 CB ALA A 39 8.981 15.331 -7.648 1.00 0.00 C ATOM 0 H ALA A 39 9.193 15.196 -10.150 1.00 0.00 H new ATOM 0 HA ALA A 39 8.488 17.311 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.130 15.615 -6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.962 14.970 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.684 14.541 -7.913 1.00 0.00 H new ATOM 561 N GLY A 40 11.626 16.363 -8.737 1.00 0.00 N ATOM 562 CA GLY A 40 12.996 16.810 -8.567 1.00 0.00 C ATOM 563 C GLY A 40 13.960 15.658 -8.361 1.00 0.00 C ATOM 564 O GLY A 40 14.207 14.875 -9.278 1.00 0.00 O ATOM 0 H GLY A 40 11.524 15.458 -9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.300 17.382 -9.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.052 17.484 -7.712 1.00 0.00 H new ATOM 568 N TYR A 41 14.507 15.555 -7.155 1.00 0.00 N ATOM 569 CA TYR A 41 15.453 14.493 -6.832 1.00 0.00 C ATOM 570 C TYR A 41 15.318 14.068 -5.373 1.00 0.00 C ATOM 571 O TYR A 41 14.759 14.794 -4.552 1.00 0.00 O ATOM 572 CB TYR A 41 16.884 14.955 -7.110 1.00 0.00 C ATOM 573 CG TYR A 41 17.918 13.869 -6.920 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.493 13.639 -5.677 1.00 0.00 C ATOM 575 CD2 TYR A 41 18.320 13.071 -7.985 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.439 12.648 -5.499 1.00 0.00 C ATOM 577 CE2 TYR A 41 19.264 12.077 -7.816 1.00 0.00 C ATOM 578 CZ TYR A 41 19.821 11.869 -6.572 1.00 0.00 C ATOM 579 OH TYR A 41 20.762 10.880 -6.399 1.00 0.00 O ATOM 0 H TYR A 41 14.312 16.194 -6.384 1.00 0.00 H new ATOM 0 HA TYR A 41 15.226 13.634 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.944 15.328 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.122 15.791 -6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.195 14.246 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.887 13.231 -8.961 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.877 12.484 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.564 11.466 -8.654 1.00 0.00 H new ATOM 0 HH TYR A 41 20.918 10.424 -7.252 1.00 0.00 H new ATOM 589 N GLY A 42 15.835 12.884 -5.058 1.00 0.00 N ATOM 590 CA GLY A 42 15.763 12.381 -3.699 1.00 0.00 C ATOM 591 C GLY A 42 15.800 10.867 -3.638 1.00 0.00 C ATOM 592 O GLY A 42 15.568 10.193 -4.641 1.00 0.00 O ATOM 0 H GLY A 42 16.302 12.264 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.594 12.785 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.846 12.738 -3.231 1.00 0.00 H new ATOM 596 N GLY A 43 16.094 10.331 -2.458 1.00 0.00 N ATOM 597 CA GLY A 43 16.157 8.890 -2.293 1.00 0.00 C ATOM 598 C GLY A 43 14.783 8.253 -2.227 1.00 0.00 C ATOM 599 O GLY A 43 13.960 8.623 -1.389 1.00 0.00 O ATOM 0 H GLY A 43 16.290 10.868 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.715 8.457 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.707 8.656 -1.382 1.00 0.00 H new ATOM 603 N ILE A 44 14.533 7.296 -3.113 1.00 0.00 N ATOM 604 CA ILE A 44 13.249 6.607 -3.152 1.00 0.00 C ATOM 605 C ILE A 44 13.320 5.269 -2.424 1.00 0.00 C ATOM 606 O ILE A 44 14.279 4.514 -2.585 1.00 0.00 O ATOM 607 CB ILE A 44 12.783 6.367 -4.600 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.677 7.695 -5.352 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.448 5.637 -4.613 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.743 7.546 -6.856 1.00 0.00 C ATOM 0 H ILE A 44 15.203 6.980 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 44 12.529 7.253 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 44 13.521 5.743 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.739 8.181 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.482 8.354 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.132 5.475 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.554 4.676 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.700 6.237 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.662 8.528 -7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.692 7.089 -7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.923 6.914 -7.195 1.00 0.00 H new ATOM 622 N SER A 45 12.299 4.982 -1.624 1.00 0.00 N ATOM 623 CA SER A 45 12.246 3.736 -0.869 1.00 0.00 C ATOM 624 C SER A 45 10.952 2.981 -1.157 1.00 0.00 C ATOM 625 O SER A 45 9.856 3.484 -0.905 1.00 0.00 O ATOM 626 CB SER A 45 12.362 4.018 0.630 1.00 0.00 C ATOM 627 OG SER A 45 12.929 2.914 1.314 1.00 0.00 O ATOM 0 H SER A 45 11.497 5.596 -1.482 1.00 0.00 H new ATOM 0 HA SER A 45 13.086 3.115 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.977 4.904 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.376 4.236 1.040 1.00 0.00 H new ATOM 0 HG SER A 45 12.994 3.120 2.270 1.00 0.00 H new ATOM 633 N LEU A 46 11.086 1.770 -1.688 1.00 0.00 N ATOM 634 CA LEU A 46 9.928 0.944 -2.011 1.00 0.00 C ATOM 635 C LEU A 46 9.985 -0.387 -1.269 1.00 0.00 C ATOM 636 O LEU A 46 10.982 -1.106 -1.337 1.00 0.00 O ATOM 637 CB LEU A 46 9.859 0.697 -3.519 1.00 0.00 C ATOM 638 CG LEU A 46 9.738 1.943 -4.398 1.00 0.00 C ATOM 639 CD1 LEU A 46 10.374 1.700 -5.758 1.00 0.00 C ATOM 640 CD2 LEU A 46 8.279 2.346 -4.554 1.00 0.00 C ATOM 0 H LEU A 46 11.985 1.339 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 46 9.032 1.478 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.753 0.151 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.006 0.049 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 46 10.270 2.761 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.278 2.597 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.429 1.460 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.871 0.869 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.212 3.234 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.724 1.531 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.854 2.562 -3.574 1.00 0.00 H new ATOM 652 N ALA A 47 8.908 -0.711 -0.561 1.00 0.00 N ATOM 653 CA ALA A 47 8.834 -1.958 0.191 1.00 0.00 C ATOM 654 C ALA A 47 7.387 -2.403 0.374 1.00 0.00 C ATOM 655 O ALA A 47 6.603 -1.738 1.052 1.00 0.00 O ATOM 656 CB ALA A 47 9.515 -1.801 1.542 1.00 0.00 C ATOM 0 H ALA A 47 8.074 -0.127 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 47 9.354 -2.728 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.452 -2.740 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.562 -1.537 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.020 -1.013 2.110 1.00 0.00 H new ATOM 662 N VAL A 48 7.038 -3.531 -0.236 1.00 0.00 N ATOM 663 CA VAL A 48 5.685 -4.066 -0.140 1.00 0.00 C ATOM 664 C VAL A 48 5.561 -5.043 1.024 1.00 0.00 C ATOM 665 O VAL A 48 6.304 -6.021 1.106 1.00 0.00 O ATOM 666 CB VAL A 48 5.269 -4.778 -1.441 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.000 -5.588 -1.223 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.081 -3.769 -2.563 1.00 0.00 C ATOM 0 H VAL A 48 7.674 -4.092 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 48 5.021 -3.218 0.029 1.00 0.00 H new ATOM 0 HB VAL A 48 6.065 -5.464 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.721 -6.084 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.174 -6.337 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.194 -4.924 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.787 -4.289 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.304 -3.057 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.017 -3.237 -2.734 1.00 0.00 H new ATOM 678 N GLU A 49 4.618 -4.772 1.920 1.00 0.00 N ATOM 679 CA GLU A 49 4.398 -5.628 3.080 1.00 0.00 C ATOM 680 C GLU A 49 3.008 -6.256 3.036 1.00 0.00 C ATOM 681 O GLU A 49 1.998 -5.563 3.144 1.00 0.00 O ATOM 682 CB GLU A 49 4.567 -4.827 4.372 1.00 0.00 C ATOM 683 CG GLU A 49 6.015 -4.511 4.708 1.00 0.00 C ATOM 684 CD GLU A 49 6.686 -5.619 5.497 1.00 0.00 C ATOM 685 OE1 GLU A 49 6.937 -6.694 4.914 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.959 -5.411 6.698 1.00 0.00 O ATOM 0 H GLU A 49 3.994 -3.967 1.865 1.00 0.00 H new ATOM 0 HA GLU A 49 5.140 -6.426 3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.011 -3.894 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.125 -5.386 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.569 -4.340 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.057 -3.585 5.281 1.00 0.00 H new ATOM 693 N GLY A 50 2.966 -7.576 2.876 1.00 0.00 N ATOM 694 CA GLY A 50 1.696 -8.276 2.820 1.00 0.00 C ATOM 695 C GLY A 50 1.743 -9.618 3.523 1.00 0.00 C ATOM 696 O GLY A 50 2.585 -9.861 4.387 1.00 0.00 O ATOM 0 H GLY A 50 3.789 -8.172 2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.923 -7.657 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.412 -8.425 1.778 1.00 0.00 H new ATOM 700 N PRO A 51 0.819 -10.517 3.152 1.00 0.00 N ATOM 701 CA PRO A 51 0.737 -11.857 3.742 1.00 0.00 C ATOM 702 C PRO A 51 1.907 -12.744 3.331 1.00 0.00 C ATOM 703 O PRO A 51 1.976 -13.913 3.712 1.00 0.00 O ATOM 704 CB PRO A 51 -0.576 -12.411 3.183 1.00 0.00 C ATOM 705 CG PRO A 51 -0.788 -11.669 1.908 1.00 0.00 C ATOM 706 CD PRO A 51 -0.216 -10.296 2.128 1.00 0.00 C ATOM 0 HA PRO A 51 0.773 -11.826 4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.511 -13.485 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.401 -12.250 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.291 -12.170 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.848 -11.615 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.207 -9.885 1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.976 -9.594 2.470 1.00 0.00 H new ATOM 714 N SER A 52 2.825 -12.182 2.552 1.00 0.00 N ATOM 715 CA SER A 52 3.991 -12.923 2.087 1.00 0.00 C ATOM 716 C SER A 52 5.113 -11.973 1.680 1.00 0.00 C ATOM 717 O SER A 52 4.937 -10.754 1.669 1.00 0.00 O ATOM 718 CB SER A 52 3.614 -13.820 0.906 1.00 0.00 C ATOM 719 OG SER A 52 4.571 -14.848 0.720 1.00 0.00 O ATOM 0 H SER A 52 2.784 -11.215 2.229 1.00 0.00 H new ATOM 0 HA SER A 52 4.346 -13.545 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.632 -14.260 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.539 -13.220 -0.001 1.00 0.00 H new ATOM 0 HG SER A 52 4.133 -15.639 0.342 1.00 0.00 H new ATOM 725 N LYS A 53 6.268 -12.539 1.347 1.00 0.00 N ATOM 726 CA LYS A 53 7.420 -11.744 0.938 1.00 0.00 C ATOM 727 C LYS A 53 7.486 -11.622 -0.581 1.00 0.00 C ATOM 728 O LYS A 53 7.383 -12.617 -1.299 1.00 0.00 O ATOM 729 CB LYS A 53 8.712 -12.373 1.466 1.00 0.00 C ATOM 730 CG LYS A 53 9.316 -13.403 0.527 1.00 0.00 C ATOM 731 CD LYS A 53 10.213 -14.378 1.270 1.00 0.00 C ATOM 732 CE LYS A 53 9.401 -15.443 1.992 1.00 0.00 C ATOM 733 NZ LYS A 53 9.048 -15.027 3.378 1.00 0.00 N ATOM 0 H LYS A 53 6.431 -13.546 1.352 1.00 0.00 H new ATOM 0 HA LYS A 53 7.309 -10.745 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.443 -11.585 1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.510 -12.845 2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.518 -13.951 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.891 -12.897 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.896 -14.854 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.825 -13.835 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.489 -15.647 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.969 -16.372 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.313 -15.780 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.560 -14.155 3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.024 -14.856 3.439 1.00 0.00 H new ATOM 747 N VAL A 54 7.659 -10.396 -1.065 1.00 0.00 N ATOM 748 CA VAL A 54 7.741 -10.145 -2.498 1.00 0.00 C ATOM 749 C VAL A 54 9.021 -9.395 -2.852 1.00 0.00 C ATOM 750 O VAL A 54 9.256 -8.286 -2.370 1.00 0.00 O ATOM 751 CB VAL A 54 6.530 -9.334 -2.996 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.328 -10.244 -3.204 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.200 -8.216 -2.019 1.00 0.00 C ATOM 0 H VAL A 54 7.745 -9.561 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 54 7.745 -11.118 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 54 6.785 -8.883 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.482 -9.654 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.572 -11.006 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.068 -10.725 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.342 -7.653 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.964 -8.643 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.058 -7.550 -1.925 1.00 0.00 H new ATOM 763 N ASP A 55 9.843 -10.006 -3.698 1.00 0.00 N ATOM 764 CA ASP A 55 11.099 -9.395 -4.118 1.00 0.00 C ATOM 765 C ASP A 55 10.843 -8.125 -4.924 1.00 0.00 C ATOM 766 O ASP A 55 10.342 -8.182 -6.047 1.00 0.00 O ATOM 767 CB ASP A 55 11.919 -10.384 -4.949 1.00 0.00 C ATOM 768 CG ASP A 55 12.220 -11.664 -4.194 1.00 0.00 C ATOM 769 OD1 ASP A 55 13.249 -11.707 -3.487 1.00 0.00 O ATOM 770 OD2 ASP A 55 11.427 -12.621 -4.309 1.00 0.00 O ATOM 0 H ASP A 55 9.663 -10.923 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 55 11.662 -9.129 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.376 -10.624 -5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.855 -9.914 -5.249 1.00 0.00 H new ATOM 775 N ILE A 56 11.189 -6.982 -4.342 1.00 0.00 N ATOM 776 CA ILE A 56 10.996 -5.699 -5.006 1.00 0.00 C ATOM 777 C ILE A 56 12.150 -5.391 -5.954 1.00 0.00 C ATOM 778 O ILE A 56 13.299 -5.273 -5.530 1.00 0.00 O ATOM 779 CB ILE A 56 10.865 -4.552 -3.986 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.678 -4.803 -3.053 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.707 -3.220 -4.705 1.00 0.00 C ATOM 782 CD1 ILE A 56 8.344 -4.424 -3.656 1.00 0.00 C ATOM 0 H ILE A 56 11.604 -6.918 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 56 10.071 -5.775 -5.577 1.00 0.00 H new ATOM 0 HB ILE A 56 11.774 -4.514 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.658 -5.858 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.825 -4.239 -2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.616 -2.419 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.580 -3.039 -5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.812 -3.246 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.549 -4.629 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.345 -3.362 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.175 -5.007 -4.561 1.00 0.00 H new ATOM 794 N GLN A 57 11.835 -5.261 -7.238 1.00 0.00 N ATOM 795 CA GLN A 57 12.847 -4.966 -8.246 1.00 0.00 C ATOM 796 C GLN A 57 12.602 -3.600 -8.879 1.00 0.00 C ATOM 797 O GLN A 57 11.516 -3.326 -9.392 1.00 0.00 O ATOM 798 CB GLN A 57 12.851 -6.049 -9.327 1.00 0.00 C ATOM 799 CG GLN A 57 13.472 -7.360 -8.873 1.00 0.00 C ATOM 800 CD GLN A 57 13.795 -8.284 -10.030 1.00 0.00 C ATOM 801 OE1 GLN A 57 14.869 -8.200 -10.626 1.00 0.00 O ATOM 802 NE2 GLN A 57 12.864 -9.174 -10.355 1.00 0.00 N ATOM 0 H GLN A 57 10.888 -5.355 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 57 13.820 -4.949 -7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.826 -6.234 -9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.395 -5.681 -10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.384 -7.151 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.788 -7.864 -8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.988 -9.209 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.025 -9.823 -11.126 1.00 0.00 H new ATOM 811 N THR A 58 13.619 -2.745 -8.840 1.00 0.00 N ATOM 812 CA THR A 58 13.514 -1.407 -9.407 1.00 0.00 C ATOM 813 C THR A 58 14.512 -1.212 -10.543 1.00 0.00 C ATOM 814 O THR A 58 15.513 -1.922 -10.630 1.00 0.00 O ATOM 815 CB THR A 58 13.752 -0.323 -8.339 1.00 0.00 C ATOM 816 OG1 THR A 58 15.022 -0.526 -7.709 1.00 0.00 O ATOM 817 CG2 THR A 58 12.650 -0.347 -7.290 1.00 0.00 C ATOM 0 H THR A 58 14.525 -2.956 -8.421 1.00 0.00 H new ATOM 0 HA THR A 58 12.500 -1.307 -9.795 1.00 0.00 H new ATOM 0 HB THR A 58 13.743 0.650 -8.831 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.166 0.168 -7.033 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.839 0.427 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.688 -0.163 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.633 -1.322 -6.803 1.00 0.00 H new ATOM 825 N GLU A 59 14.233 -0.244 -11.411 1.00 0.00 N ATOM 826 CA GLU A 59 15.108 0.043 -12.542 1.00 0.00 C ATOM 827 C GLU A 59 14.838 1.439 -13.097 1.00 0.00 C ATOM 828 O GLU A 59 13.689 1.814 -13.332 1.00 0.00 O ATOM 829 CB GLU A 59 14.915 -1.002 -13.642 1.00 0.00 C ATOM 830 CG GLU A 59 15.637 -0.664 -14.936 1.00 0.00 C ATOM 831 CD GLU A 59 15.022 -1.345 -16.143 1.00 0.00 C ATOM 832 OE1 GLU A 59 15.298 -2.544 -16.353 1.00 0.00 O ATOM 833 OE2 GLU A 59 14.263 -0.678 -16.877 1.00 0.00 O ATOM 0 H GLU A 59 13.409 0.354 -11.353 1.00 0.00 H new ATOM 0 HA GLU A 59 16.139 0.004 -12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.268 -1.968 -13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.850 -1.109 -13.847 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.621 0.416 -15.085 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.683 -0.958 -14.851 1.00 0.00 H new ATOM 840 N ASP A 60 15.905 2.202 -13.305 1.00 0.00 N ATOM 841 CA ASP A 60 15.785 3.556 -13.833 1.00 0.00 C ATOM 842 C ASP A 60 15.534 3.532 -15.337 1.00 0.00 C ATOM 843 O ASP A 60 16.294 2.928 -16.095 1.00 0.00 O ATOM 844 CB ASP A 60 17.051 4.359 -13.528 1.00 0.00 C ATOM 845 CG ASP A 60 17.211 5.557 -14.444 1.00 0.00 C ATOM 846 OD1 ASP A 60 17.531 5.355 -15.634 1.00 0.00 O ATOM 847 OD2 ASP A 60 17.017 6.697 -13.970 1.00 0.00 O ATOM 0 H ASP A 60 16.863 1.906 -13.116 1.00 0.00 H new ATOM 0 HA ASP A 60 14.934 4.035 -13.348 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.022 4.698 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 60 17.922 3.711 -13.627 1.00 0.00 H new ATOM 852 N LEU A 61 14.462 4.191 -15.763 1.00 0.00 N ATOM 853 CA LEU A 61 14.108 4.245 -17.177 1.00 0.00 C ATOM 854 C LEU A 61 14.721 5.471 -17.846 1.00 0.00 C ATOM 855 O LEU A 61 15.287 6.336 -17.177 1.00 0.00 O ATOM 856 CB LEU A 61 12.587 4.267 -17.343 1.00 0.00 C ATOM 857 CG LEU A 61 11.848 2.996 -16.922 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.346 3.178 -17.074 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.328 1.805 -17.739 1.00 0.00 C ATOM 0 H LEU A 61 13.823 4.696 -15.149 1.00 0.00 H new ATOM 0 HA LEU A 61 14.507 3.353 -17.659 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.190 5.102 -16.766 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.359 4.466 -18.390 1.00 0.00 H new ATOM 0 HG LEU A 61 12.066 2.802 -15.872 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.836 2.264 -16.770 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.014 4.005 -16.446 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.109 3.396 -18.115 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.792 0.909 -17.426 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.140 1.990 -18.797 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.397 1.662 -17.580 1.00 0.00 H new ATOM 871 N GLU A 62 14.604 5.539 -19.168 1.00 0.00 N ATOM 872 CA GLU A 62 15.146 6.661 -19.926 1.00 0.00 C ATOM 873 C GLU A 62 14.395 7.949 -19.603 1.00 0.00 C ATOM 874 O GLU A 62 14.951 9.044 -19.695 1.00 0.00 O ATOM 875 CB GLU A 62 15.069 6.375 -21.427 1.00 0.00 C ATOM 876 CG GLU A 62 16.219 5.528 -21.945 1.00 0.00 C ATOM 877 CD GLU A 62 16.203 5.384 -23.455 1.00 0.00 C ATOM 878 OE1 GLU A 62 16.619 6.337 -24.147 1.00 0.00 O ATOM 879 OE2 GLU A 62 15.775 4.318 -23.944 1.00 0.00 O ATOM 0 H GLU A 62 14.139 4.831 -19.736 1.00 0.00 H new ATOM 0 HA GLU A 62 16.190 6.789 -19.641 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.129 5.868 -21.644 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.053 7.321 -21.968 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.163 5.976 -21.636 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.171 4.539 -21.489 1.00 0.00 H new ATOM 886 N ASP A 63 13.129 7.810 -19.225 1.00 0.00 N ATOM 887 CA ASP A 63 12.301 8.962 -18.887 1.00 0.00 C ATOM 888 C ASP A 63 12.730 9.568 -17.555 1.00 0.00 C ATOM 889 O ASP A 63 12.359 10.694 -17.225 1.00 0.00 O ATOM 890 CB ASP A 63 10.827 8.558 -18.827 1.00 0.00 C ATOM 891 CG ASP A 63 10.452 7.571 -19.916 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.812 6.383 -19.788 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.801 7.989 -20.896 1.00 0.00 O ATOM 0 H ASP A 63 12.654 6.911 -19.145 1.00 0.00 H new ATOM 0 HA ASP A 63 12.432 9.713 -19.666 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.613 8.118 -17.853 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.205 9.449 -18.918 1.00 0.00 H new ATOM 898 N GLY A 64 13.513 8.812 -16.791 1.00 0.00 N ATOM 899 CA GLY A 64 13.978 9.291 -15.502 1.00 0.00 C ATOM 900 C GLY A 64 13.084 8.847 -14.362 1.00 0.00 C ATOM 901 O GLY A 64 13.220 9.323 -13.234 1.00 0.00 O ATOM 0 H GLY A 64 13.834 7.877 -17.042 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.991 8.929 -15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.027 10.380 -15.518 1.00 0.00 H new ATOM 905 N THR A 65 12.163 7.933 -14.654 1.00 0.00 N ATOM 906 CA THR A 65 11.241 7.428 -13.645 1.00 0.00 C ATOM 907 C THR A 65 11.691 6.069 -13.121 1.00 0.00 C ATOM 908 O THR A 65 12.602 5.450 -13.673 1.00 0.00 O ATOM 909 CB THR A 65 9.811 7.301 -14.204 1.00 0.00 C ATOM 910 OG1 THR A 65 9.793 6.380 -15.301 1.00 0.00 O ATOM 911 CG2 THR A 65 9.288 8.654 -14.664 1.00 0.00 C ATOM 0 H THR A 65 12.036 7.528 -15.581 1.00 0.00 H new ATOM 0 HA THR A 65 11.241 8.149 -12.827 1.00 0.00 H new ATOM 0 HB THR A 65 9.165 6.930 -13.408 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.880 6.304 -15.649 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.277 8.540 -15.055 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.275 9.345 -13.821 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.937 9.048 -15.446 1.00 0.00 H new ATOM 919 N CYS A 66 11.048 5.610 -12.053 1.00 0.00 N ATOM 920 CA CYS A 66 11.383 4.323 -11.453 1.00 0.00 C ATOM 921 C CYS A 66 10.235 3.332 -11.617 1.00 0.00 C ATOM 922 O CYS A 66 9.107 3.597 -11.201 1.00 0.00 O ATOM 923 CB CYS A 66 11.714 4.499 -9.971 1.00 0.00 C ATOM 924 SG CYS A 66 13.432 4.961 -9.647 1.00 0.00 S ATOM 0 H CYS A 66 10.292 6.110 -11.585 1.00 0.00 H new ATOM 0 HA CYS A 66 12.258 3.926 -11.968 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.059 5.262 -9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.495 3.568 -9.448 1.00 0.00 H new ATOM 0 HG CYS A 66 13.613 5.088 -8.366 1.00 0.00 H new ATOM 930 N LYS A 67 10.530 2.189 -12.228 1.00 0.00 N ATOM 931 CA LYS A 67 9.524 1.157 -12.448 1.00 0.00 C ATOM 932 C LYS A 67 9.679 0.023 -11.441 1.00 0.00 C ATOM 933 O LYS A 67 10.607 -0.780 -11.532 1.00 0.00 O ATOM 934 CB LYS A 67 9.632 0.607 -13.872 1.00 0.00 C ATOM 935 CG LYS A 67 8.508 -0.345 -14.243 1.00 0.00 C ATOM 936 CD LYS A 67 8.427 -0.554 -15.746 1.00 0.00 C ATOM 937 CE LYS A 67 9.581 -1.405 -16.253 1.00 0.00 C ATOM 938 NZ LYS A 67 9.428 -1.744 -17.695 1.00 0.00 N ATOM 0 H LYS A 67 11.458 1.954 -12.580 1.00 0.00 H new ATOM 0 HA LYS A 67 8.541 1.608 -12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.638 1.440 -14.575 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.586 0.090 -13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.665 -1.304 -13.749 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.560 0.050 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.481 -1.034 -15.997 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.437 0.412 -16.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.519 -0.871 -16.103 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.640 -2.323 -15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.234 -2.325 -18.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.545 -2.276 -17.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.398 -0.869 -18.256 1.00 0.00 H new ATOM 952 N VAL A 68 8.762 -0.038 -10.480 1.00 0.00 N ATOM 953 CA VAL A 68 8.795 -1.076 -9.457 1.00 0.00 C ATOM 954 C VAL A 68 8.185 -2.375 -9.971 1.00 0.00 C ATOM 955 O VAL A 68 7.215 -2.360 -10.729 1.00 0.00 O ATOM 956 CB VAL A 68 8.042 -0.637 -8.187 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.306 -1.607 -7.046 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.439 0.779 -7.796 1.00 0.00 C ATOM 0 H VAL A 68 7.987 0.619 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 68 9.844 -1.243 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 68 6.973 -0.646 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.765 -1.280 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.968 -2.604 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.374 -1.634 -6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.898 1.073 -6.897 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.511 0.816 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.193 1.463 -8.608 1.00 0.00 H new ATOM 968 N SER A 69 8.761 -3.499 -9.554 1.00 0.00 N ATOM 969 CA SER A 69 8.276 -4.808 -9.976 1.00 0.00 C ATOM 970 C SER A 69 8.275 -5.789 -8.807 1.00 0.00 C ATOM 971 O SER A 69 9.272 -5.928 -8.098 1.00 0.00 O ATOM 972 CB SER A 69 9.141 -5.353 -11.114 1.00 0.00 C ATOM 973 OG SER A 69 9.549 -4.314 -11.987 1.00 0.00 O ATOM 0 H SER A 69 9.563 -3.529 -8.925 1.00 0.00 H new ATOM 0 HA SER A 69 7.252 -4.692 -10.331 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.018 -5.851 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.582 -6.103 -11.673 1.00 0.00 H new ATOM 0 HG SER A 69 10.102 -4.688 -12.705 1.00 0.00 H new ATOM 979 N TYR A 70 7.149 -6.466 -8.613 1.00 0.00 N ATOM 980 CA TYR A 70 7.016 -7.433 -7.529 1.00 0.00 C ATOM 981 C TYR A 70 6.137 -8.606 -7.951 1.00 0.00 C ATOM 982 O TYR A 70 5.210 -8.448 -8.745 1.00 0.00 O ATOM 983 CB TYR A 70 6.428 -6.761 -6.288 1.00 0.00 C ATOM 984 CG TYR A 70 4.937 -6.528 -6.374 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.427 -5.366 -6.941 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.037 -7.468 -5.889 1.00 0.00 C ATOM 987 CE1 TYR A 70 3.065 -5.148 -7.022 1.00 0.00 C ATOM 988 CE2 TYR A 70 2.674 -7.260 -5.967 1.00 0.00 C ATOM 989 CZ TYR A 70 2.193 -6.098 -6.534 1.00 0.00 C ATOM 990 OH TYR A 70 0.835 -5.886 -6.612 1.00 0.00 O ATOM 0 H TYR A 70 6.315 -6.363 -9.192 1.00 0.00 H new ATOM 0 HA TYR A 70 8.009 -7.814 -7.291 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.641 -7.379 -5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.928 -5.805 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.107 -4.620 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.410 -8.378 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.686 -4.239 -7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.989 -8.003 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 70 0.403 -6.674 -7.004 1.00 0.00 H new ATOM 1000 N PHE A 71 6.436 -9.784 -7.412 1.00 0.00 N ATOM 1001 CA PHE A 71 5.674 -10.986 -7.732 1.00 0.00 C ATOM 1002 C PHE A 71 5.052 -11.586 -6.474 1.00 0.00 C ATOM 1003 O PHE A 71 5.704 -12.293 -5.705 1.00 0.00 O ATOM 1004 CB PHE A 71 6.573 -12.019 -8.413 1.00 0.00 C ATOM 1005 CG PHE A 71 5.811 -13.094 -9.135 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.113 -12.805 -10.296 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.794 -14.393 -8.652 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.410 -13.792 -10.961 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.094 -15.384 -9.314 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.402 -15.083 -10.470 1.00 0.00 C ATOM 0 H PHE A 71 7.200 -9.932 -6.752 1.00 0.00 H new ATOM 0 HA PHE A 71 4.872 -10.707 -8.415 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.226 -11.510 -9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.215 -12.481 -7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.118 -11.798 -10.686 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.334 -14.634 -7.748 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.867 -13.554 -11.864 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.088 -16.392 -8.927 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.855 -15.856 -10.990 1.00 0.00 H new ATOM 1020 N PRO A 72 3.760 -11.297 -6.258 1.00 0.00 N ATOM 1021 CA PRO A 72 3.021 -11.798 -5.095 1.00 0.00 C ATOM 1022 C PRO A 72 2.775 -13.301 -5.168 1.00 0.00 C ATOM 1023 O PRO A 72 2.681 -13.874 -6.254 1.00 0.00 O ATOM 1024 CB PRO A 72 1.696 -11.035 -5.162 1.00 0.00 C ATOM 1025 CG PRO A 72 1.532 -10.684 -6.601 1.00 0.00 C ATOM 1026 CD PRO A 72 2.921 -10.461 -7.133 1.00 0.00 C ATOM 0 HA PRO A 72 3.570 -11.645 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.868 -11.649 -4.807 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.722 -10.142 -4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.030 -11.485 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.921 -9.789 -6.717 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.005 -10.762 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.208 -9.411 -7.080 1.00 0.00 H new ATOM 1034 N THR A 73 2.670 -13.936 -4.005 1.00 0.00 N ATOM 1035 CA THR A 73 2.435 -15.373 -3.936 1.00 0.00 C ATOM 1036 C THR A 73 1.147 -15.684 -3.184 1.00 0.00 C ATOM 1037 O THR A 73 0.355 -16.525 -3.609 1.00 0.00 O ATOM 1038 CB THR A 73 3.606 -16.101 -3.250 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.122 -15.301 -2.181 1.00 0.00 O ATOM 1040 CG2 THR A 73 4.716 -16.400 -4.247 1.00 0.00 C ATOM 0 H THR A 73 2.744 -13.477 -3.097 1.00 0.00 H new ATOM 0 HA THR A 73 2.347 -15.729 -4.963 1.00 0.00 H new ATOM 0 HB THR A 73 3.234 -17.044 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.865 -15.772 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.532 -16.914 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.328 -17.034 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.084 -15.466 -4.672 1.00 0.00 H new ATOM 1048 N VAL A 74 0.942 -15.000 -2.062 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.252 -15.203 -1.250 1.00 0.00 C ATOM 1050 C VAL A 74 -1.186 -14.001 -1.337 1.00 0.00 C ATOM 1051 O VAL A 74 -0.766 -12.849 -1.231 1.00 0.00 O ATOM 1052 CB VAL A 74 0.109 -15.454 0.226 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -1.150 -15.637 1.060 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.022 -16.663 0.353 1.00 0.00 C ATOM 0 H VAL A 74 1.588 -14.301 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.759 -16.083 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 74 0.643 -14.583 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.875 -15.813 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.764 -14.739 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.714 -16.490 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.267 -16.825 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.516 -17.544 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.939 -16.488 -0.210 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.484 -14.274 -1.534 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.506 -13.228 -1.638 1.00 0.00 C ATOM 1066 C PRO A 75 -3.754 -12.525 -0.307 1.00 0.00 C ATOM 1067 O PRO A 75 -3.600 -13.121 0.758 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.755 -13.994 -2.079 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.538 -15.385 -1.592 1.00 0.00 C ATOM 1070 CD PRO A 75 -3.055 -15.624 -1.669 1.00 0.00 C ATOM 0 HA PRO A 75 -3.210 -12.437 -2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.658 -13.560 -1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.874 -13.968 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.900 -15.502 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.081 -16.103 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.713 -16.286 -0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.771 -16.088 -2.614 1.00 0.00 H new ATOM 1078 N GLY A 76 -4.140 -11.255 -0.377 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.404 -10.493 0.830 1.00 0.00 C ATOM 1080 C GLY A 76 -4.289 -8.998 0.608 1.00 0.00 C ATOM 1081 O GLY A 76 -4.746 -8.477 -0.410 1.00 0.00 O ATOM 0 H GLY A 76 -4.275 -10.740 -1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.405 -10.728 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.704 -10.797 1.608 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.679 -8.304 1.564 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.506 -6.860 1.469 1.00 0.00 C ATOM 1087 C VAL A 77 -2.029 -6.481 1.484 1.00 0.00 C ATOM 1088 O VAL A 77 -1.379 -6.517 2.530 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.223 -6.131 2.620 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.875 -4.651 2.616 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.728 -6.334 2.522 1.00 0.00 C ATOM 0 H VAL A 77 -3.296 -8.719 2.413 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.948 -6.551 0.522 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.882 -6.556 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.392 -4.154 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.799 -4.530 2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.185 -4.207 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.220 -5.812 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.088 -5.937 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.956 -7.398 2.580 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.505 -6.117 0.319 1.00 0.00 N ATOM 1102 CA TYR A 78 -0.104 -5.733 0.198 1.00 0.00 C ATOM 1103 C TYR A 78 0.056 -4.219 0.286 1.00 0.00 C ATOM 1104 O TYR A 78 -0.492 -3.477 -0.531 1.00 0.00 O ATOM 1105 CB TYR A 78 0.474 -6.242 -1.123 1.00 0.00 C ATOM 1106 CG TYR A 78 0.785 -7.722 -1.118 1.00 0.00 C ATOM 1107 CD1 TYR A 78 1.984 -8.198 -0.601 1.00 0.00 C ATOM 1108 CD2 TYR A 78 -0.120 -8.644 -1.630 1.00 0.00 C ATOM 1109 CE1 TYR A 78 2.272 -9.549 -0.595 1.00 0.00 C ATOM 1110 CE2 TYR A 78 0.160 -9.997 -1.627 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.357 -10.444 -1.109 1.00 0.00 C ATOM 1112 OH TYR A 78 1.641 -11.791 -1.104 1.00 0.00 O ATOM 0 H TYR A 78 -2.030 -6.080 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 78 0.443 -6.186 1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.234 -6.031 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.386 -5.689 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.703 -7.500 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.058 -8.297 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.209 -9.903 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.555 -10.700 -2.028 1.00 0.00 H new ATOM 0 HH TYR A 78 0.868 -12.290 -1.441 1.00 0.00 H new ATOM 1122 N ILE A 79 0.810 -3.766 1.282 1.00 0.00 N ATOM 1123 CA ILE A 79 1.044 -2.341 1.476 1.00 0.00 C ATOM 1124 C ILE A 79 2.325 -1.894 0.780 1.00 0.00 C ATOM 1125 O ILE A 79 3.427 -2.250 1.196 1.00 0.00 O ATOM 1126 CB ILE A 79 1.135 -1.984 2.971 1.00 0.00 C ATOM 1127 CG1 ILE A 79 -0.090 -2.514 3.720 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.260 -0.478 3.150 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.376 -1.807 3.353 1.00 0.00 C ATOM 0 H ILE A 79 1.269 -4.366 1.967 1.00 0.00 H new ATOM 0 HA ILE A 79 0.194 -1.819 1.037 1.00 0.00 H new ATOM 0 HB ILE A 79 2.025 -2.455 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.199 -3.579 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.078 -2.412 4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.323 -0.242 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.160 -0.125 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.387 0.013 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.201 -2.235 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.287 -0.746 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.568 -1.931 2.287 1.00 0.00 H new ATOM 1141 N VAL A 80 2.171 -1.109 -0.283 1.00 0.00 N ATOM 1142 CA VAL A 80 3.316 -0.610 -1.036 1.00 0.00 C ATOM 1143 C VAL A 80 3.832 0.698 -0.448 1.00 0.00 C ATOM 1144 O VAL A 80 3.261 1.763 -0.681 1.00 0.00 O ATOM 1145 CB VAL A 80 2.959 -0.389 -2.518 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.094 0.320 -3.241 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.632 -1.714 -3.191 1.00 0.00 C ATOM 0 H VAL A 80 1.265 -0.806 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 80 4.096 -1.368 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 80 2.075 0.246 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.824 0.467 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.275 1.288 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.998 -0.286 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.382 -1.539 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.496 -2.376 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.783 -2.178 -2.688 1.00 0.00 H new ATOM 1157 N SER A 81 4.917 0.610 0.315 1.00 0.00 N ATOM 1158 CA SER A 81 5.510 1.787 0.940 1.00 0.00 C ATOM 1159 C SER A 81 6.340 2.576 -0.067 1.00 0.00 C ATOM 1160 O SER A 81 7.495 2.242 -0.337 1.00 0.00 O ATOM 1161 CB SER A 81 6.383 1.375 2.127 1.00 0.00 C ATOM 1162 OG SER A 81 5.609 1.240 3.306 1.00 0.00 O ATOM 0 H SER A 81 5.403 -0.264 0.515 1.00 0.00 H new ATOM 0 HA SER A 81 4.702 2.425 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.882 0.431 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.164 2.119 2.284 1.00 0.00 H new ATOM 0 HG SER A 81 6.189 0.974 4.050 1.00 0.00 H new ATOM 1168 N THR A 82 5.744 3.627 -0.622 1.00 0.00 N ATOM 1169 CA THR A 82 6.427 4.464 -1.600 1.00 0.00 C ATOM 1170 C THR A 82 6.935 5.752 -0.963 1.00 0.00 C ATOM 1171 O THR A 82 6.151 6.570 -0.480 1.00 0.00 O ATOM 1172 CB THR A 82 5.501 4.819 -2.779 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.696 3.688 -3.128 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.311 5.264 -3.988 1.00 0.00 C ATOM 0 H THR A 82 4.790 3.918 -0.411 1.00 0.00 H new ATOM 0 HA THR A 82 7.274 3.888 -1.972 1.00 0.00 H new ATOM 0 HB THR A 82 4.856 5.642 -2.471 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.109 3.923 -3.877 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.636 5.509 -4.808 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.900 6.143 -3.728 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.978 4.459 -4.296 1.00 0.00 H new ATOM 1182 N LYS A 83 8.252 5.928 -0.964 1.00 0.00 N ATOM 1183 CA LYS A 83 8.866 7.118 -0.387 1.00 0.00 C ATOM 1184 C LYS A 83 9.723 7.843 -1.420 1.00 0.00 C ATOM 1185 O LYS A 83 10.272 7.224 -2.331 1.00 0.00 O ATOM 1186 CB LYS A 83 9.722 6.739 0.824 1.00 0.00 C ATOM 1187 CG LYS A 83 8.945 6.700 2.129 1.00 0.00 C ATOM 1188 CD LYS A 83 9.874 6.666 3.330 1.00 0.00 C ATOM 1189 CE LYS A 83 9.250 5.915 4.497 1.00 0.00 C ATOM 1190 NZ LYS A 83 10.280 5.405 5.443 1.00 0.00 N ATOM 0 H LYS A 83 8.915 5.261 -1.358 1.00 0.00 H new ATOM 0 HA LYS A 83 8.069 7.788 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.172 5.762 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.540 7.454 0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.297 7.574 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.299 5.822 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.814 6.190 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.111 7.685 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.564 6.575 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.660 5.080 4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.814 4.900 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.920 4.755 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.826 6.203 5.825 1.00 0.00 H new ATOM 1204 N PHE A 84 9.833 9.159 -1.272 1.00 0.00 N ATOM 1205 CA PHE A 84 10.623 9.969 -2.192 1.00 0.00 C ATOM 1206 C PHE A 84 11.283 11.135 -1.461 1.00 0.00 C ATOM 1207 O PHE A 84 10.624 12.110 -1.104 1.00 0.00 O ATOM 1208 CB PHE A 84 9.741 10.497 -3.326 1.00 0.00 C ATOM 1209 CG PHE A 84 10.419 11.528 -4.182 1.00 0.00 C ATOM 1210 CD1 PHE A 84 10.353 12.872 -3.854 1.00 0.00 C ATOM 1211 CD2 PHE A 84 11.124 11.152 -5.315 1.00 0.00 C ATOM 1212 CE1 PHE A 84 10.976 13.823 -4.641 1.00 0.00 C ATOM 1213 CE2 PHE A 84 11.749 12.098 -6.105 1.00 0.00 C ATOM 1214 CZ PHE A 84 11.675 13.435 -5.767 1.00 0.00 C ATOM 0 H PHE A 84 9.385 9.687 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 84 11.405 9.337 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.431 9.662 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.835 10.929 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.809 13.181 -2.974 1.00 0.00 H new ATOM 0 HD2 PHE A 84 11.185 10.108 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.916 14.868 -4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 84 12.295 11.792 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.163 14.176 -6.382 1.00 0.00 H new ATOM 1224 N ALA A 85 12.589 11.024 -1.243 1.00 0.00 N ATOM 1225 CA ALA A 85 13.340 12.069 -0.557 1.00 0.00 C ATOM 1226 C ALA A 85 12.916 12.179 0.904 1.00 0.00 C ATOM 1227 O ALA A 85 12.683 13.277 1.411 1.00 0.00 O ATOM 1228 CB ALA A 85 13.155 13.403 -1.264 1.00 0.00 C ATOM 0 H ALA A 85 13.149 10.222 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 85 14.396 11.800 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.721 14.174 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.513 13.323 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.098 13.669 -1.268 1.00 0.00 H new ATOM 1234 N ASP A 86 12.818 11.037 1.575 1.00 0.00 N ATOM 1235 CA ASP A 86 12.423 11.006 2.978 1.00 0.00 C ATOM 1236 C ASP A 86 11.021 11.580 3.161 1.00 0.00 C ATOM 1237 O ASP A 86 10.777 12.365 4.076 1.00 0.00 O ATOM 1238 CB ASP A 86 13.423 11.789 3.829 1.00 0.00 C ATOM 1239 CG ASP A 86 14.802 11.159 3.829 1.00 0.00 C ATOM 1240 OD1 ASP A 86 15.506 11.273 2.804 1.00 0.00 O ATOM 1241 OD2 ASP A 86 15.177 10.551 4.853 1.00 0.00 O ATOM 0 H ASP A 86 13.007 10.120 1.170 1.00 0.00 H new ATOM 0 HA ASP A 86 12.416 9.966 3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.493 12.810 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.055 11.850 4.853 1.00 0.00 H new ATOM 1246 N GLU A 87 10.106 11.183 2.282 1.00 0.00 N ATOM 1247 CA GLU A 87 8.729 11.661 2.346 1.00 0.00 C ATOM 1248 C GLU A 87 7.795 10.731 1.578 1.00 0.00 C ATOM 1249 O GLU A 87 8.032 10.419 0.411 1.00 0.00 O ATOM 1250 CB GLU A 87 8.632 13.080 1.782 1.00 0.00 C ATOM 1251 CG GLU A 87 8.951 14.163 2.799 1.00 0.00 C ATOM 1252 CD GLU A 87 8.431 15.525 2.384 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.290 15.597 1.882 1.00 0.00 O ATOM 1254 OE2 GLU A 87 9.165 16.519 2.561 1.00 0.00 O ATOM 0 H GLU A 87 10.293 10.533 1.518 1.00 0.00 H new ATOM 0 HA GLU A 87 8.423 11.672 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.315 13.174 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.625 13.241 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.518 13.891 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.031 14.218 2.939 1.00 0.00 H new ATOM 1261 N HIS A 88 6.731 10.290 2.243 1.00 0.00 N ATOM 1262 CA HIS A 88 5.760 9.395 1.624 1.00 0.00 C ATOM 1263 C HIS A 88 4.883 10.150 0.629 1.00 0.00 C ATOM 1264 O HIS A 88 4.361 11.222 0.934 1.00 0.00 O ATOM 1265 CB HIS A 88 4.887 8.737 2.693 1.00 0.00 C ATOM 1266 CG HIS A 88 5.452 7.454 3.221 1.00 0.00 C ATOM 1267 ND1 HIS A 88 5.126 6.218 2.703 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.329 7.220 4.225 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.776 5.279 3.368 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.513 5.861 4.296 1.00 0.00 N ATOM 0 H HIS A 88 6.520 10.538 3.210 1.00 0.00 H new ATOM 0 HA HIS A 88 6.308 8.621 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.753 9.434 3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.899 8.545 2.276 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.484 6.054 1.928 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.797 7.964 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.715 4.217 3.184 1.00 0.00 H new ATOM 1279 N VAL A 89 4.727 9.583 -0.564 1.00 0.00 N ATOM 1280 CA VAL A 89 3.913 10.202 -1.603 1.00 0.00 C ATOM 1281 C VAL A 89 2.561 10.642 -1.054 1.00 0.00 C ATOM 1282 O VAL A 89 2.078 10.132 -0.043 1.00 0.00 O ATOM 1283 CB VAL A 89 3.687 9.240 -2.785 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.888 9.250 -3.719 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.405 7.833 -2.281 1.00 0.00 C ATOM 0 H VAL A 89 5.154 8.697 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 89 4.460 11.077 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 89 2.817 9.581 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.710 8.565 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.039 10.257 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.777 8.935 -3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.248 7.167 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.253 7.480 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.511 7.842 -1.657 1.00 0.00 H new ATOM 1295 N PRO A 90 1.933 11.611 -1.736 1.00 0.00 N ATOM 1296 CA PRO A 90 0.626 12.141 -1.336 1.00 0.00 C ATOM 1297 C PRO A 90 -0.498 11.131 -1.544 1.00 0.00 C ATOM 1298 O PRO A 90 -1.197 11.165 -2.555 1.00 0.00 O ATOM 1299 CB PRO A 90 0.436 13.349 -2.256 1.00 0.00 C ATOM 1300 CG PRO A 90 1.269 13.047 -3.454 1.00 0.00 C ATOM 1301 CD PRO A 90 2.449 12.264 -2.951 1.00 0.00 C ATOM 0 HA PRO A 90 0.594 12.387 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.612 13.481 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.759 14.270 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.704 12.472 -4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.591 13.964 -3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.789 11.534 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.297 12.913 -2.729 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.666 10.232 -0.578 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.707 9.226 -0.675 1.00 0.00 C ATOM 1311 C GLY A 91 -1.273 7.887 -0.112 1.00 0.00 C ATOM 1312 O GLY A 91 -2.064 6.946 -0.049 1.00 0.00 O ATOM 0 H GLY A 91 -0.100 10.183 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.593 9.571 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.992 9.102 -1.720 1.00 0.00 H new ATOM 1316 N SER A 92 -0.010 7.799 0.296 1.00 0.00 N ATOM 1317 CA SER A 92 0.530 6.564 0.850 1.00 0.00 C ATOM 1318 C SER A 92 0.108 6.392 2.306 1.00 0.00 C ATOM 1319 O SER A 92 -0.302 7.340 2.977 1.00 0.00 O ATOM 1320 CB SER A 92 2.056 6.557 0.746 1.00 0.00 C ATOM 1321 OG SER A 92 2.483 5.919 -0.446 1.00 0.00 O ATOM 0 H SER A 92 0.658 8.569 0.253 1.00 0.00 H new ATOM 0 HA SER A 92 0.130 5.731 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.430 7.581 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.480 6.044 1.609 1.00 0.00 H new ATOM 0 HG SER A 92 1.779 5.989 -1.125 1.00 0.00 H new ATOM 1327 N PRO A 93 0.209 5.152 2.809 1.00 0.00 N ATOM 1328 CA PRO A 93 0.695 4.016 2.020 1.00 0.00 C ATOM 1329 C PRO A 93 -0.292 3.601 0.934 1.00 0.00 C ATOM 1330 O PRO A 93 -1.405 4.122 0.860 1.00 0.00 O ATOM 1331 CB PRO A 93 0.846 2.902 3.059 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.111 3.262 4.142 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.143 4.765 4.185 1.00 0.00 C ATOM 0 HA PRO A 93 1.618 4.252 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.611 1.927 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.868 2.847 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.102 2.856 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.210 2.851 5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.127 5.138 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.569 5.162 4.909 1.00 0.00 H new ATOM 1341 N PHE A 94 0.123 2.659 0.093 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.724 2.174 -0.991 1.00 0.00 C ATOM 1343 C PHE A 94 -1.241 0.770 -0.690 1.00 0.00 C ATOM 1344 O PHE A 94 -0.480 -0.198 -0.695 1.00 0.00 O ATOM 1345 CB PHE A 94 0.049 2.174 -2.311 1.00 0.00 C ATOM 1346 CG PHE A 94 0.027 3.499 -3.019 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.394 4.659 -2.357 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.361 3.583 -4.346 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.375 5.880 -3.006 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.382 4.800 -5.000 1.00 0.00 C ATOM 1351 CZ PHE A 94 -0.015 5.950 -4.329 1.00 0.00 C ATOM 0 H PHE A 94 1.041 2.216 0.141 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.578 2.845 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.084 1.892 -2.117 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.371 1.413 -2.969 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.699 4.609 -1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.650 2.687 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.665 6.777 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.685 4.852 -6.035 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.033 6.902 -4.838 1.00 0.00 H new ATOM 1361 N THR A 95 -2.540 0.667 -0.428 1.00 0.00 N ATOM 1362 CA THR A 95 -3.159 -0.617 -0.123 1.00 0.00 C ATOM 1363 C THR A 95 -3.594 -1.333 -1.397 1.00 0.00 C ATOM 1364 O THR A 95 -4.581 -0.953 -2.028 1.00 0.00 O ATOM 1365 CB THR A 95 -4.380 -0.447 0.800 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.021 0.328 1.949 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.917 -1.800 1.242 1.00 0.00 C ATOM 0 H THR A 95 -3.184 1.458 -0.421 1.00 0.00 H new ATOM 0 HA THR A 95 -2.407 -1.217 0.389 1.00 0.00 H new ATOM 0 HB THR A 95 -5.160 0.071 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.803 0.433 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.779 -1.654 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.217 -2.376 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.141 -2.340 1.784 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.853 -2.371 -1.770 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.164 -3.142 -2.967 1.00 0.00 C ATOM 1377 C VAL A 96 -3.884 -4.439 -2.615 1.00 0.00 C ATOM 1378 O VAL A 96 -3.335 -5.300 -1.927 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.891 -3.476 -3.767 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.218 -4.396 -4.933 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.219 -2.201 -4.254 1.00 0.00 C ATOM 0 H VAL A 96 -2.032 -2.698 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.818 -2.522 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.196 -3.998 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.306 -4.621 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.651 -5.322 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.932 -3.905 -5.594 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.321 -2.455 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.906 -1.650 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.947 -1.583 -3.398 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.118 -4.572 -3.091 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.915 -5.765 -2.828 1.00 0.00 C ATOM 1393 C LYS A 97 -5.628 -6.849 -3.862 1.00 0.00 C ATOM 1394 O LYS A 97 -6.037 -6.742 -5.018 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.405 -5.419 -2.837 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.937 -4.987 -1.481 1.00 0.00 C ATOM 1397 CD LYS A 97 -9.456 -4.990 -1.452 1.00 0.00 C ATOM 1398 CE LYS A 97 -9.992 -4.253 -0.233 1.00 0.00 C ATOM 1399 NZ LYS A 97 -11.464 -4.044 -0.314 1.00 0.00 N ATOM 0 H LYS A 97 -5.588 -3.868 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.642 -6.145 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.580 -4.620 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.969 -6.287 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.556 -5.656 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.570 -3.988 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.839 -4.522 -2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.819 -6.018 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.755 -4.820 0.667 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.493 -3.288 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.790 -3.539 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.689 -3.482 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.943 -4.965 -0.374 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.923 -7.893 -3.437 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.585 -8.998 -4.326 1.00 0.00 C ATOM 1415 C ILE A 98 -5.603 -10.127 -4.212 1.00 0.00 C ATOM 1416 O ILE A 98 -5.910 -10.591 -3.114 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.181 -9.554 -4.023 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.127 -8.458 -4.189 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -2.872 -10.735 -4.931 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.093 -7.858 -5.577 1.00 0.00 C ATOM 0 H ILE A 98 -4.575 -7.996 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.599 -8.602 -5.341 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.159 -9.899 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.320 -7.667 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.145 -8.871 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.876 -11.117 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.608 -11.522 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.909 -10.413 -5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.323 -7.088 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.870 -8.638 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.062 -7.415 -5.806 1.00 0.00 H new ATOM 1432 N SER A 99 -6.121 -10.567 -5.354 1.00 0.00 N ATOM 1433 CA SER A 99 -7.107 -11.642 -5.382 1.00 0.00 C ATOM 1434 C SER A 99 -6.446 -12.976 -5.718 1.00 0.00 C ATOM 1435 O SER A 99 -5.309 -13.018 -6.185 1.00 0.00 O ATOM 1436 CB SER A 99 -8.202 -11.331 -6.404 1.00 0.00 C ATOM 1437 OG SER A 99 -9.381 -12.066 -6.127 1.00 0.00 O ATOM 0 H SER A 99 -5.875 -10.196 -6.272 1.00 0.00 H new ATOM 0 HA SER A 99 -7.555 -11.717 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.423 -10.264 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.847 -11.571 -7.406 1.00 0.00 H new ATOM 0 HG SER A 99 -10.066 -11.848 -6.793 1.00 0.00 H new ATOM 1443 N GLY A 100 -7.170 -14.065 -5.475 1.00 0.00 N ATOM 1444 CA GLY A 100 -6.639 -15.386 -5.757 1.00 0.00 C ATOM 1445 C GLY A 100 -7.220 -15.986 -7.022 1.00 0.00 C ATOM 1446 O GLY A 100 -7.508 -15.271 -7.980 1.00 0.00 O ATOM 0 H GLY A 100 -8.114 -14.056 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.555 -15.326 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.849 -16.046 -4.915 1.00 0.00 H new ATOM 1450 N GLU A 101 -7.391 -17.305 -7.024 1.00 0.00 N ATOM 1451 CA GLU A 101 -7.940 -18.001 -8.182 1.00 0.00 C ATOM 1452 C GLU A 101 -9.008 -17.155 -8.870 1.00 0.00 C ATOM 1453 O GLU A 101 -9.779 -16.457 -8.214 1.00 0.00 O ATOM 1454 CB GLU A 101 -8.532 -19.348 -7.762 1.00 0.00 C ATOM 1455 CG GLU A 101 -7.505 -20.465 -7.680 1.00 0.00 C ATOM 1456 CD GLU A 101 -8.117 -21.789 -7.266 1.00 0.00 C ATOM 1457 OE1 GLU A 101 -8.858 -21.814 -6.262 1.00 0.00 O ATOM 1458 OE2 GLU A 101 -7.854 -22.802 -7.949 1.00 0.00 O ATOM 0 H GLU A 101 -7.158 -17.912 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.128 -18.174 -8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.014 -19.237 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.309 -19.631 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.020 -20.580 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.729 -20.189 -6.966 1.00 0.00 H new ATOM 1465 N GLY A 102 -9.045 -17.224 -10.197 1.00 0.00 N ATOM 1466 CA GLY A 102 -10.021 -16.460 -10.952 1.00 0.00 C ATOM 1467 C GLY A 102 -9.376 -15.421 -11.848 1.00 0.00 C ATOM 1468 O GLY A 102 -8.920 -14.380 -11.373 1.00 0.00 O ATOM 0 H GLY A 102 -8.417 -17.795 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.618 -17.139 -11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.704 -15.966 -10.261 1.00 0.00 H new ATOM 1472 N ARG A 103 -9.337 -15.702 -13.146 1.00 0.00 N ATOM 1473 CA ARG A 103 -8.741 -14.785 -14.109 1.00 0.00 C ATOM 1474 C ARG A 103 -9.608 -14.670 -15.359 1.00 0.00 C ATOM 1475 O ARG A 103 -10.350 -15.591 -15.700 1.00 0.00 O ATOM 1476 CB ARG A 103 -7.336 -15.255 -14.491 1.00 0.00 C ATOM 1477 CG ARG A 103 -6.464 -14.155 -15.075 1.00 0.00 C ATOM 1478 CD ARG A 103 -5.144 -14.707 -15.592 1.00 0.00 C ATOM 1479 NE ARG A 103 -5.232 -15.116 -16.990 1.00 0.00 N ATOM 1480 CZ ARG A 103 -4.231 -15.684 -17.654 1.00 0.00 C ATOM 1481 NH1 ARG A 103 -3.072 -15.907 -17.050 1.00 0.00 N ATOM 1482 NH2 ARG A 103 -4.388 -16.029 -18.926 1.00 0.00 N ATOM 0 H ARG A 103 -9.711 -16.558 -13.555 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.674 -13.802 -13.643 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.846 -15.665 -13.608 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.417 -16.066 -15.215 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.996 -13.660 -15.887 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.271 -13.399 -14.314 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.367 -13.950 -15.484 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.844 -15.560 -14.983 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.110 -14.957 -17.484 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.947 -15.642 -16.073 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.305 -16.343 -17.562 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.278 -15.858 -19.395 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.619 -16.465 -19.435 1.00 0.00 H new ATOM 1496 N VAL A 104 -9.509 -13.532 -16.039 1.00 0.00 N ATOM 1497 CA VAL A 104 -10.283 -13.296 -17.252 1.00 0.00 C ATOM 1498 C VAL A 104 -9.754 -14.130 -18.413 1.00 0.00 C ATOM 1499 O VAL A 104 -8.548 -14.347 -18.537 1.00 0.00 O ATOM 1500 CB VAL A 104 -10.262 -11.808 -17.651 1.00 0.00 C ATOM 1501 CG1 VAL A 104 -8.869 -11.226 -17.468 1.00 0.00 C ATOM 1502 CG2 VAL A 104 -10.738 -11.635 -19.086 1.00 0.00 C ATOM 0 H VAL A 104 -8.900 -12.759 -15.770 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.309 -13.592 -17.035 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.945 -11.264 -16.998 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.873 -10.174 -17.755 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -8.571 -11.316 -16.423 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.162 -11.770 -18.095 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.717 -10.578 -19.351 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.082 -12.191 -19.756 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.756 -12.012 -19.180 1.00 0.00 H new ATOM 1512 N LYS A 105 -10.663 -14.595 -19.263 1.00 0.00 N ATOM 1513 CA LYS A 105 -10.289 -15.404 -20.417 1.00 0.00 C ATOM 1514 C LYS A 105 -9.908 -14.521 -21.601 1.00 0.00 C ATOM 1515 O LYS A 105 -10.746 -14.201 -22.443 1.00 0.00 O ATOM 1516 CB LYS A 105 -11.440 -16.333 -20.809 1.00 0.00 C ATOM 1517 CG LYS A 105 -10.986 -17.608 -21.498 1.00 0.00 C ATOM 1518 CD LYS A 105 -10.759 -17.389 -22.984 1.00 0.00 C ATOM 1519 CE LYS A 105 -10.435 -18.693 -23.697 1.00 0.00 C ATOM 1520 NZ LYS A 105 -8.982 -19.015 -23.630 1.00 0.00 N ATOM 0 H LYS A 105 -11.665 -14.425 -19.174 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.422 -16.005 -20.142 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.005 -16.595 -19.914 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.120 -15.796 -21.470 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.064 -17.963 -21.037 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.735 -18.387 -21.354 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.649 -16.942 -23.427 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.942 -16.682 -23.128 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.008 -19.504 -23.248 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.744 -18.623 -24.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.613 -19.157 -24.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.473 -18.230 -23.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.844 -19.884 -23.075 1.00 0.00 H new ATOM 1534 N SER A 106 -8.638 -14.132 -21.659 1.00 0.00 N ATOM 1535 CA SER A 106 -8.147 -13.283 -22.738 1.00 0.00 C ATOM 1536 C SER A 106 -8.191 -14.022 -24.072 1.00 0.00 C ATOM 1537 O SER A 106 -8.864 -13.595 -25.010 1.00 0.00 O ATOM 1538 CB SER A 106 -6.718 -12.823 -22.444 1.00 0.00 C ATOM 1539 OG SER A 106 -6.702 -11.816 -21.447 1.00 0.00 O ATOM 0 H SER A 106 -7.931 -14.391 -20.971 1.00 0.00 H new ATOM 0 HA SER A 106 -8.796 -12.409 -22.804 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.119 -13.673 -22.117 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.260 -12.443 -23.357 1.00 0.00 H new ATOM 0 HG SER A 106 -5.777 -11.540 -21.276 1.00 0.00 H new ATOM 1545 N GLY A 107 -7.468 -15.135 -24.149 1.00 0.00 N ATOM 1546 CA GLY A 107 -7.437 -15.917 -25.372 1.00 0.00 C ATOM 1547 C GLY A 107 -6.030 -16.102 -25.906 1.00 0.00 C ATOM 1548 O GLY A 107 -5.613 -15.443 -26.859 1.00 0.00 O ATOM 0 H GLY A 107 -6.903 -15.509 -23.387 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.883 -16.894 -25.186 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.048 -15.426 -26.129 1.00 0.00 H new ATOM 1552 N PRO A 108 -5.273 -17.018 -25.284 1.00 0.00 N ATOM 1553 CA PRO A 108 -3.893 -17.308 -25.685 1.00 0.00 C ATOM 1554 C PRO A 108 -3.818 -18.019 -27.032 1.00 0.00 C ATOM 1555 O PRO A 108 -4.820 -18.533 -27.530 1.00 0.00 O ATOM 1556 CB PRO A 108 -3.385 -18.224 -24.568 1.00 0.00 C ATOM 1557 CG PRO A 108 -4.611 -18.864 -24.015 1.00 0.00 C ATOM 1558 CD PRO A 108 -5.705 -17.840 -24.141 1.00 0.00 C ATOM 0 HA PRO A 108 -3.305 -16.399 -25.811 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -2.689 -18.969 -24.953 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.854 -17.658 -23.802 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.860 -19.771 -24.566 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.465 -19.153 -22.974 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.673 -18.307 -24.325 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.805 -17.245 -23.233 1.00 0.00 H new ATOM 1566 N SER A 109 -2.625 -18.045 -27.617 1.00 0.00 N ATOM 1567 CA SER A 109 -2.421 -18.690 -28.908 1.00 0.00 C ATOM 1568 C SER A 109 -1.066 -19.390 -28.958 1.00 0.00 C ATOM 1569 O SER A 109 -0.084 -18.906 -28.394 1.00 0.00 O ATOM 1570 CB SER A 109 -2.517 -17.661 -30.037 1.00 0.00 C ATOM 1571 OG SER A 109 -1.314 -16.923 -30.158 1.00 0.00 O ATOM 0 H SER A 109 -1.785 -17.627 -27.217 1.00 0.00 H new ATOM 0 HA SER A 109 -3.203 -19.438 -29.040 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.733 -18.168 -30.978 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.347 -16.981 -29.844 1.00 0.00 H new ATOM 0 HG SER A 109 -1.400 -16.274 -30.887 1.00 0.00 H new ATOM 1577 N SER A 110 -1.022 -20.532 -29.636 1.00 0.00 N ATOM 1578 CA SER A 110 0.211 -21.302 -29.756 1.00 0.00 C ATOM 1579 C SER A 110 1.353 -20.424 -30.257 1.00 0.00 C ATOM 1580 O SER A 110 1.355 -19.983 -31.406 1.00 0.00 O ATOM 1581 CB SER A 110 0.008 -22.485 -30.705 1.00 0.00 C ATOM 1582 OG SER A 110 -0.491 -22.052 -31.959 1.00 0.00 O ATOM 0 H SER A 110 -1.825 -20.945 -30.110 1.00 0.00 H new ATOM 0 HA SER A 110 0.473 -21.679 -28.767 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.954 -23.008 -30.847 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.686 -23.198 -30.260 1.00 0.00 H new ATOM 0 HG SER A 110 -0.031 -21.230 -32.228 1.00 0.00 H new ATOM 1588 N GLY A 111 2.326 -20.174 -29.385 1.00 0.00 N ATOM 1589 CA GLY A 111 3.461 -19.350 -29.756 1.00 0.00 C ATOM 1590 C GLY A 111 4.280 -18.916 -28.556 1.00 0.00 C ATOM 1591 O GLY A 111 4.283 -19.587 -27.524 1.00 0.00 O ATOM 0 H GLY A 111 2.348 -20.528 -28.429 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.098 -19.904 -30.446 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.107 -18.467 -30.288 1.00 0.00 H new TER 1595 GLY A 111