USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 861 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 31 SER OG : rot 162:sc= 0.0268 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.0272 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 82 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 66:sc= 0.35 USER MOD Single : A 17 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.6!) USER MOD Single : A 22 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 125:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -114:sc= -4.98! (180deg=-9.97!) USER MOD Single : A 50 ASN : amide:sc= -3.33 K(o=-3.3,f=-12!) USER MOD Single : A 52 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.34) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 126:sc= -0.188 (180deg=-1.45!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 73 LYS NZ :NH3+ -143:sc= -0.271 (180deg=-1.38!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 92:sc= 0.09 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 38:sc= 1.14 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -0.741 USER MOD Single : A 96 LYS NZ :NH3+ 142:sc= -0.0151 (180deg=-1.04) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.3 X(o=-0.3,f=-0.44) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 103 SER OG : rot -137:sc= 1.24 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.480 28.216 -7.731 1.00 0.00 N ATOM 2 CA GLY A 1 -4.611 27.925 -9.147 1.00 0.00 C ATOM 3 C GLY A 1 -3.302 27.482 -9.771 1.00 0.00 C ATOM 4 O GLY A 1 -3.060 26.287 -9.939 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.401 28.514 -7.351 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.158 27.363 -7.230 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.786 28.979 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.359 27.145 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.975 28.812 -9.665 1.00 0.00 H new ATOM 8 N SER A 2 -2.456 28.448 -10.116 1.00 0.00 N ATOM 9 CA SER A 2 -1.167 28.151 -10.730 1.00 0.00 C ATOM 10 C SER A 2 -0.246 27.440 -9.743 1.00 0.00 C ATOM 11 O SER A 2 0.418 26.463 -10.090 1.00 0.00 O ATOM 12 CB SER A 2 -0.506 29.439 -11.225 1.00 0.00 C ATOM 13 OG SER A 2 -1.139 29.919 -12.399 1.00 0.00 O ATOM 0 H SER A 2 -2.640 29.442 -9.981 1.00 0.00 H new ATOM 0 HA SER A 2 -1.340 27.490 -11.579 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.554 30.199 -10.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.549 29.256 -11.426 1.00 0.00 H new ATOM 0 HG SER A 2 -0.699 30.744 -12.694 1.00 0.00 H new ATOM 19 N SER A 3 -0.211 27.938 -8.512 1.00 0.00 N ATOM 20 CA SER A 3 0.631 27.354 -7.474 1.00 0.00 C ATOM 21 C SER A 3 -0.170 27.106 -6.200 1.00 0.00 C ATOM 22 O SER A 3 -0.929 27.965 -5.754 1.00 0.00 O ATOM 23 CB SER A 3 1.818 28.272 -7.174 1.00 0.00 C ATOM 24 OG SER A 3 2.683 28.369 -8.292 1.00 0.00 O ATOM 0 H SER A 3 -0.756 28.745 -8.208 1.00 0.00 H new ATOM 0 HA SER A 3 1.004 26.397 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.455 29.264 -6.904 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.370 27.889 -6.315 1.00 0.00 H new ATOM 0 HG SER A 3 3.432 28.962 -8.075 1.00 0.00 H new ATOM 30 N GLY A 4 0.006 25.923 -5.618 1.00 0.00 N ATOM 31 CA GLY A 4 -0.707 25.582 -4.401 1.00 0.00 C ATOM 32 C GLY A 4 0.226 25.350 -3.229 1.00 0.00 C ATOM 33 O GLY A 4 1.138 26.140 -2.987 1.00 0.00 O ATOM 0 H GLY A 4 0.629 25.195 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.403 26.384 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.302 24.685 -4.571 1.00 0.00 H new ATOM 37 N SER A 5 -0.003 24.264 -2.498 1.00 0.00 N ATOM 38 CA SER A 5 0.820 23.933 -1.341 1.00 0.00 C ATOM 39 C SER A 5 0.762 25.045 -0.297 1.00 0.00 C ATOM 40 O SER A 5 1.778 25.409 0.294 1.00 0.00 O ATOM 41 CB SER A 5 2.269 23.697 -1.771 1.00 0.00 C ATOM 42 OG SER A 5 2.480 22.342 -2.129 1.00 0.00 O ATOM 0 H SER A 5 -0.752 23.598 -2.687 1.00 0.00 H new ATOM 0 HA SER A 5 0.427 23.019 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.511 24.342 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.942 23.971 -0.959 1.00 0.00 H new ATOM 0 HG SER A 5 3.413 22.217 -2.401 1.00 0.00 H new ATOM 48 N SER A 6 -0.434 25.579 -0.077 1.00 0.00 N ATOM 49 CA SER A 6 -0.626 26.652 0.892 1.00 0.00 C ATOM 50 C SER A 6 -0.177 26.214 2.283 1.00 0.00 C ATOM 51 O SER A 6 0.440 26.983 3.019 1.00 0.00 O ATOM 52 CB SER A 6 -2.095 27.078 0.929 1.00 0.00 C ATOM 53 OG SER A 6 -2.524 27.538 -0.341 1.00 0.00 O ATOM 0 H SER A 6 -1.285 25.287 -0.556 1.00 0.00 H new ATOM 0 HA SER A 6 -0.017 27.501 0.582 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.713 26.237 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.230 27.866 1.670 1.00 0.00 H new ATOM 0 HG SER A 6 -3.466 27.803 -0.292 1.00 0.00 H new ATOM 59 N GLY A 7 -0.492 24.972 2.636 1.00 0.00 N ATOM 60 CA GLY A 7 -0.113 24.452 3.937 1.00 0.00 C ATOM 61 C GLY A 7 0.944 23.369 3.844 1.00 0.00 C ATOM 62 O GLY A 7 2.084 23.638 3.467 1.00 0.00 O ATOM 0 H GLY A 7 -1.003 24.316 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.261 25.268 4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.996 24.052 4.436 1.00 0.00 H new ATOM 66 N GLU A 8 0.565 22.143 4.189 1.00 0.00 N ATOM 67 CA GLU A 8 1.491 21.017 4.145 1.00 0.00 C ATOM 68 C GLU A 8 0.780 19.746 3.688 1.00 0.00 C ATOM 69 O GLU A 8 -0.432 19.742 3.473 1.00 0.00 O ATOM 70 CB GLU A 8 2.123 20.794 5.520 1.00 0.00 C ATOM 71 CG GLU A 8 1.110 20.528 6.621 1.00 0.00 C ATOM 72 CD GLU A 8 1.724 20.585 8.006 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.301 19.567 8.441 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.627 21.648 8.654 1.00 0.00 O ATOM 0 H GLU A 8 -0.376 21.904 4.502 1.00 0.00 H new ATOM 0 HA GLU A 8 2.276 21.253 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.812 19.952 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.713 21.671 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.306 21.261 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.661 19.547 6.467 1.00 0.00 H new ATOM 81 N VAL A 9 1.544 18.669 3.540 1.00 0.00 N ATOM 82 CA VAL A 9 0.990 17.391 3.109 1.00 0.00 C ATOM 83 C VAL A 9 0.174 16.743 4.222 1.00 0.00 C ATOM 84 O VAL A 9 0.532 16.826 5.397 1.00 0.00 O ATOM 85 CB VAL A 9 2.099 16.418 2.667 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.986 16.048 3.845 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.494 15.175 2.033 1.00 0.00 C ATOM 0 H VAL A 9 2.549 18.656 3.712 1.00 0.00 H new ATOM 0 HA VAL A 9 0.340 17.598 2.259 1.00 0.00 H new ATOM 0 HB VAL A 9 2.718 16.915 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.763 15.360 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.447 16.949 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.384 15.570 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.291 14.498 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.851 14.674 2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.906 15.461 1.161 1.00 0.00 H new ATOM 97 N ASP A 10 -0.923 16.096 3.844 1.00 0.00 N ATOM 98 CA ASP A 10 -1.790 15.431 4.810 1.00 0.00 C ATOM 99 C ASP A 10 -2.190 14.045 4.316 1.00 0.00 C ATOM 100 O ASP A 10 -2.517 13.846 3.146 1.00 0.00 O ATOM 101 CB ASP A 10 -3.039 16.274 5.071 1.00 0.00 C ATOM 102 CG ASP A 10 -3.613 16.045 6.455 1.00 0.00 C ATOM 103 OD1 ASP A 10 -2.942 16.411 7.444 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.733 15.502 6.551 1.00 0.00 O ATOM 0 H ASP A 10 -1.233 16.018 2.875 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.236 15.319 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.793 17.329 4.953 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.796 16.038 4.323 1.00 0.00 H new ATOM 109 N PRO A 11 -2.165 13.061 5.228 1.00 0.00 N ATOM 110 CA PRO A 11 -2.521 11.676 4.908 1.00 0.00 C ATOM 111 C PRO A 11 -4.011 11.511 4.628 1.00 0.00 C ATOM 112 O PRO A 11 -4.402 10.864 3.657 1.00 0.00 O ATOM 113 CB PRO A 11 -2.126 10.907 6.171 1.00 0.00 C ATOM 114 CG PRO A 11 -2.187 11.917 7.264 1.00 0.00 C ATOM 115 CD PRO A 11 -1.786 13.226 6.641 1.00 0.00 C ATOM 0 HA PRO A 11 -2.021 11.325 4.005 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.808 10.078 6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.126 10.482 6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.191 11.976 7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.515 11.651 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.306 14.066 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.718 13.413 6.751 1.00 0.00 H new ATOM 123 N ALA A 12 -4.838 12.100 5.486 1.00 0.00 N ATOM 124 CA ALA A 12 -6.285 12.020 5.329 1.00 0.00 C ATOM 125 C ALA A 12 -6.711 12.458 3.932 1.00 0.00 C ATOM 126 O ALA A 12 -7.772 12.068 3.444 1.00 0.00 O ATOM 127 CB ALA A 12 -6.978 12.868 6.385 1.00 0.00 C ATOM 0 H ALA A 12 -4.531 12.637 6.297 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.583 10.980 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.058 12.799 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.707 12.507 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.666 13.907 6.280 1.00 0.00 H new ATOM 133 N LYS A 13 -5.879 13.273 3.294 1.00 0.00 N ATOM 134 CA LYS A 13 -6.168 13.766 1.952 1.00 0.00 C ATOM 135 C LYS A 13 -5.538 12.865 0.894 1.00 0.00 C ATOM 136 O LYS A 13 -6.058 12.738 -0.215 1.00 0.00 O ATOM 137 CB LYS A 13 -5.654 15.198 1.790 1.00 0.00 C ATOM 138 CG LYS A 13 -6.175 16.155 2.848 1.00 0.00 C ATOM 139 CD LYS A 13 -7.501 16.772 2.437 1.00 0.00 C ATOM 140 CE LYS A 13 -8.676 15.919 2.887 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.959 16.674 2.844 1.00 0.00 N ATOM 0 H LYS A 13 -4.998 13.607 3.685 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.249 13.758 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.565 15.190 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.939 15.568 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.297 15.624 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.443 16.944 3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.588 17.770 2.868 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.529 16.889 1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.751 15.039 2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.498 15.563 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.735 16.057 3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.897 17.500 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.142 16.992 1.871 1.00 0.00 H new ATOM 155 N CYS A 14 -4.419 12.242 1.245 1.00 0.00 N ATOM 156 CA CYS A 14 -3.719 11.352 0.325 1.00 0.00 C ATOM 157 C CYS A 14 -4.635 10.229 -0.148 1.00 0.00 C ATOM 158 O CYS A 14 -5.697 9.994 0.430 1.00 0.00 O ATOM 159 CB CYS A 14 -2.477 10.764 0.998 1.00 0.00 C ATOM 160 SG CYS A 14 -1.109 11.934 1.173 1.00 0.00 S ATOM 0 H CYS A 14 -3.977 12.336 2.159 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.412 11.935 -0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.753 10.394 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.135 9.906 0.420 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.454 12.886 1.988 1.00 0.00 H new ATOM 166 N VAL A 15 -4.219 9.538 -1.205 1.00 0.00 N ATOM 167 CA VAL A 15 -5.003 8.440 -1.757 1.00 0.00 C ATOM 168 C VAL A 15 -4.100 7.369 -2.359 1.00 0.00 C ATOM 169 O VAL A 15 -2.876 7.509 -2.373 1.00 0.00 O ATOM 170 CB VAL A 15 -5.982 8.937 -2.837 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.307 9.344 -2.211 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.374 10.093 -3.616 1.00 0.00 C ATOM 0 H VAL A 15 -3.343 9.719 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.571 8.010 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.172 8.120 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.986 9.692 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.748 8.487 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.139 10.145 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.080 10.431 -4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.152 10.914 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.454 9.763 -4.098 1.00 0.00 H new ATOM 182 N LEU A 16 -4.711 6.300 -2.858 1.00 0.00 N ATOM 183 CA LEU A 16 -3.962 5.204 -3.463 1.00 0.00 C ATOM 184 C LEU A 16 -4.557 4.818 -4.813 1.00 0.00 C ATOM 185 O LEU A 16 -5.766 4.917 -5.020 1.00 0.00 O ATOM 186 CB LEU A 16 -3.953 3.991 -2.531 1.00 0.00 C ATOM 187 CG LEU A 16 -3.549 4.260 -1.081 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.227 3.272 -0.145 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.037 4.191 -0.928 1.00 0.00 C ATOM 0 H LEU A 16 -5.723 6.169 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.937 5.540 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.949 3.549 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.273 3.246 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.876 5.265 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.927 3.479 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.309 3.370 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.932 2.257 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.767 4.385 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.687 3.199 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.572 4.939 -1.570 1.00 0.00 H new ATOM 201 N GLN A 17 -3.700 4.377 -5.728 1.00 0.00 N ATOM 202 CA GLN A 17 -4.142 3.975 -7.058 1.00 0.00 C ATOM 203 C GLN A 17 -4.128 2.456 -7.200 1.00 0.00 C ATOM 204 O GLN A 17 -3.501 1.754 -6.409 1.00 0.00 O ATOM 205 CB GLN A 17 -3.250 4.607 -8.128 1.00 0.00 C ATOM 206 CG GLN A 17 -3.324 6.125 -8.162 1.00 0.00 C ATOM 207 CD GLN A 17 -2.815 6.704 -9.467 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.945 6.089 -10.526 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.231 7.895 -9.399 1.00 0.00 N ATOM 0 H GLN A 17 -2.696 4.289 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.165 4.325 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.217 4.306 -7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.535 4.216 -9.105 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.357 6.438 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.741 6.532 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.144 8.370 -8.500 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.869 8.335 -10.245 1.00 0.00 H new ATOM 218 N GLY A 18 -4.826 1.955 -8.215 1.00 0.00 N ATOM 219 CA GLY A 18 -4.882 0.523 -8.442 1.00 0.00 C ATOM 220 C GLY A 18 -6.296 -0.019 -8.386 1.00 0.00 C ATOM 221 O GLY A 18 -6.790 -0.372 -7.315 1.00 0.00 O ATOM 0 H GLY A 18 -5.354 2.516 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.448 0.296 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.272 0.016 -7.694 1.00 0.00 H new ATOM 225 N GLU A 19 -6.950 -0.083 -9.541 1.00 0.00 N ATOM 226 CA GLU A 19 -8.318 -0.583 -9.617 1.00 0.00 C ATOM 227 C GLU A 19 -8.463 -1.890 -8.844 1.00 0.00 C ATOM 228 O GLU A 19 -9.432 -2.086 -8.111 1.00 0.00 O ATOM 229 CB GLU A 19 -8.727 -0.792 -11.077 1.00 0.00 C ATOM 230 CG GLU A 19 -10.227 -0.934 -11.274 1.00 0.00 C ATOM 231 CD GLU A 19 -10.987 0.323 -10.897 1.00 0.00 C ATOM 232 OE1 GLU A 19 -11.164 0.569 -9.686 1.00 0.00 O ATOM 233 OE2 GLU A 19 -11.403 1.061 -11.815 1.00 0.00 O ATOM 0 H GLU A 19 -6.555 0.205 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.976 0.160 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.369 0.050 -11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.233 -1.685 -11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.431 -1.178 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.591 -1.768 -10.674 1.00 0.00 H new ATOM 240 N ASP A 20 -7.493 -2.782 -9.015 1.00 0.00 N ATOM 241 CA ASP A 20 -7.511 -4.071 -8.334 1.00 0.00 C ATOM 242 C ASP A 20 -6.488 -4.103 -7.203 1.00 0.00 C ATOM 243 O ASP A 20 -5.477 -4.801 -7.285 1.00 0.00 O ATOM 244 CB ASP A 20 -7.227 -5.201 -9.326 1.00 0.00 C ATOM 245 CG ASP A 20 -6.202 -4.808 -10.372 1.00 0.00 C ATOM 246 OD1 ASP A 20 -5.064 -4.466 -9.988 1.00 0.00 O ATOM 247 OD2 ASP A 20 -6.538 -4.845 -11.574 1.00 0.00 O ATOM 0 H ASP A 20 -6.685 -2.636 -9.619 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.504 -4.213 -7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.871 -6.076 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.155 -5.488 -9.820 1.00 0.00 H new ATOM 252 N LEU A 21 -6.757 -3.341 -6.148 1.00 0.00 N ATOM 253 CA LEU A 21 -5.859 -3.280 -5.000 1.00 0.00 C ATOM 254 C LEU A 21 -6.216 -4.350 -3.973 1.00 0.00 C ATOM 255 O LEU A 21 -5.347 -5.080 -3.494 1.00 0.00 O ATOM 256 CB LEU A 21 -5.920 -1.895 -4.353 1.00 0.00 C ATOM 257 CG LEU A 21 -5.040 -0.818 -4.988 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.564 0.568 -4.649 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.596 -0.971 -4.532 1.00 0.00 C ATOM 0 H LEU A 21 -7.589 -2.757 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.844 -3.465 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.954 -1.551 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.640 -1.993 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.073 -0.941 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.925 1.321 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.581 0.675 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.562 0.703 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.984 -0.196 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.545 -0.875 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.223 -1.952 -4.828 1.00 0.00 H new ATOM 271 N HIS A 22 -7.499 -4.438 -3.639 1.00 0.00 N ATOM 272 CA HIS A 22 -7.972 -5.421 -2.670 1.00 0.00 C ATOM 273 C HIS A 22 -7.853 -6.835 -3.230 1.00 0.00 C ATOM 274 O HIS A 22 -8.003 -7.816 -2.501 1.00 0.00 O ATOM 275 CB HIS A 22 -9.423 -5.133 -2.286 1.00 0.00 C ATOM 276 CG HIS A 22 -9.592 -3.884 -1.476 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.328 -3.836 -0.311 1.00 0.00 N ATOM 278 CD2 HIS A 22 -9.112 -2.633 -1.668 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.296 -2.609 0.178 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.564 -1.860 -0.627 1.00 0.00 N ATOM 0 H HIS A 22 -8.230 -3.841 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.347 -5.347 -1.780 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.021 -5.051 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.815 -5.979 -1.721 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.490 -2.304 -2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.785 -2.275 1.081 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.366 -0.868 -0.496 1.00 0.00 H new ATOM 289 N ARG A 23 -7.583 -6.933 -4.527 1.00 0.00 N ATOM 290 CA ARG A 23 -7.446 -8.227 -5.184 1.00 0.00 C ATOM 291 C ARG A 23 -5.981 -8.535 -5.479 1.00 0.00 C ATOM 292 O ARG A 23 -5.262 -7.706 -6.036 1.00 0.00 O ATOM 293 CB ARG A 23 -8.255 -8.252 -6.483 1.00 0.00 C ATOM 294 CG ARG A 23 -9.664 -8.794 -6.312 1.00 0.00 C ATOM 295 CD ARG A 23 -10.525 -7.857 -5.479 1.00 0.00 C ATOM 296 NE ARG A 23 -11.947 -8.162 -5.606 1.00 0.00 N ATOM 297 CZ ARG A 23 -12.553 -9.136 -4.936 1.00 0.00 C ATOM 298 NH1 ARG A 23 -11.863 -9.895 -4.096 1.00 0.00 N ATOM 299 NH2 ARG A 23 -13.851 -9.352 -5.105 1.00 0.00 N ATOM 0 H ARG A 23 -7.455 -6.131 -5.144 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.831 -8.991 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.310 -7.241 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.728 -8.860 -7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.122 -8.936 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.623 -9.773 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.231 -7.929 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.346 -6.828 -5.790 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.506 -7.596 -6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.865 -9.732 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.330 -10.642 -3.583 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.385 -8.770 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.315 -10.100 -4.590 1.00 0.00 H new ATOM 313 N ALA A 24 -5.546 -9.732 -5.101 1.00 0.00 N ATOM 314 CA ALA A 24 -4.167 -10.150 -5.325 1.00 0.00 C ATOM 315 C ALA A 24 -4.077 -11.659 -5.525 1.00 0.00 C ATOM 316 O ALA A 24 -5.027 -12.390 -5.245 1.00 0.00 O ATOM 317 CB ALA A 24 -3.288 -9.716 -4.162 1.00 0.00 C ATOM 0 H ALA A 24 -6.128 -10.430 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.810 -9.667 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.262 -10.035 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.320 -8.631 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.652 -10.171 -3.241 1.00 0.00 H new ATOM 323 N ARG A 25 -2.929 -12.119 -6.012 1.00 0.00 N ATOM 324 CA ARG A 25 -2.715 -13.541 -6.251 1.00 0.00 C ATOM 325 C ARG A 25 -1.394 -14.002 -5.643 1.00 0.00 C ATOM 326 O ARG A 25 -0.392 -13.290 -5.699 1.00 0.00 O ATOM 327 CB ARG A 25 -2.729 -13.835 -7.752 1.00 0.00 C ATOM 328 CG ARG A 25 -2.288 -15.248 -8.100 1.00 0.00 C ATOM 329 CD ARG A 25 -3.423 -16.244 -7.925 1.00 0.00 C ATOM 330 NE ARG A 25 -3.306 -17.374 -8.843 1.00 0.00 N ATOM 331 CZ ARG A 25 -4.336 -18.124 -9.221 1.00 0.00 C ATOM 332 NH1 ARG A 25 -5.552 -17.865 -8.761 1.00 0.00 N ATOM 333 NH2 ARG A 25 -4.149 -19.135 -10.060 1.00 0.00 N ATOM 0 H ARG A 25 -2.133 -11.527 -6.249 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.526 -14.090 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.736 -13.673 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.076 -13.124 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.933 -15.276 -9.130 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.449 -15.535 -7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.429 -16.610 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.376 -15.741 -8.089 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.383 -17.600 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.699 -17.089 -8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.341 -18.442 -9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.214 -19.337 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.940 -19.710 -10.350 1.00 0.00 H new ATOM 347 N GLU A 26 -1.401 -15.198 -5.062 1.00 0.00 N ATOM 348 CA GLU A 26 -0.203 -15.753 -4.443 1.00 0.00 C ATOM 349 C GLU A 26 1.012 -15.567 -5.347 1.00 0.00 C ATOM 350 O GLU A 26 0.950 -15.819 -6.550 1.00 0.00 O ATOM 351 CB GLU A 26 -0.402 -17.239 -4.136 1.00 0.00 C ATOM 352 CG GLU A 26 0.814 -17.899 -3.508 1.00 0.00 C ATOM 353 CD GLU A 26 0.883 -19.386 -3.794 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.079 -20.102 -3.443 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.897 -19.835 -4.367 1.00 0.00 O ATOM 0 H GLU A 26 -2.222 -15.800 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.026 -15.218 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.253 -17.352 -3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.652 -17.762 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.718 -17.418 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.792 -17.741 -2.430 1.00 0.00 H new ATOM 362 N LYS A 27 2.118 -15.125 -4.758 1.00 0.00 N ATOM 363 CA LYS A 27 3.349 -14.906 -5.507 1.00 0.00 C ATOM 364 C LYS A 27 3.103 -13.991 -6.703 1.00 0.00 C ATOM 365 O LYS A 27 3.592 -14.248 -7.802 1.00 0.00 O ATOM 366 CB LYS A 27 3.926 -16.241 -5.983 1.00 0.00 C ATOM 367 CG LYS A 27 4.535 -17.073 -4.867 1.00 0.00 C ATOM 368 CD LYS A 27 5.552 -18.066 -5.404 1.00 0.00 C ATOM 369 CE LYS A 27 6.861 -17.381 -5.768 1.00 0.00 C ATOM 370 NZ LYS A 27 7.606 -18.131 -6.817 1.00 0.00 N ATOM 0 H LYS A 27 2.187 -14.911 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 27 4.067 -14.423 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.136 -16.817 -6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.688 -16.049 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.015 -16.416 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.746 -17.608 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.739 -18.837 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.145 -18.566 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.656 -16.370 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.482 -17.288 -4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.492 -17.632 -7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.824 -19.087 -6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.023 -18.198 -7.676 1.00 0.00 H new ATOM 384 N GLN A 28 2.343 -12.924 -6.479 1.00 0.00 N ATOM 385 CA GLN A 28 2.034 -11.971 -7.539 1.00 0.00 C ATOM 386 C GLN A 28 2.609 -10.595 -7.219 1.00 0.00 C ATOM 387 O GLN A 28 2.620 -10.168 -6.065 1.00 0.00 O ATOM 388 CB GLN A 28 0.520 -11.871 -7.737 1.00 0.00 C ATOM 389 CG GLN A 28 0.118 -11.018 -8.929 1.00 0.00 C ATOM 390 CD GLN A 28 0.382 -11.705 -10.254 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.039 -12.745 -10.308 1.00 0.00 O ATOM 392 NE2 GLN A 28 -0.131 -11.127 -11.334 1.00 0.00 N ATOM 0 H GLN A 28 1.930 -12.698 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 28 2.492 -12.330 -8.461 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.111 -12.874 -7.864 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.071 -11.455 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.942 -10.774 -8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.665 -10.076 -8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.669 -10.265 -11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.013 -11.545 -12.253 1.00 0.00 H new ATOM 401 N THR A 29 3.087 -9.905 -8.250 1.00 0.00 N ATOM 402 CA THR A 29 3.665 -8.578 -8.080 1.00 0.00 C ATOM 403 C THR A 29 2.602 -7.494 -8.212 1.00 0.00 C ATOM 404 O THR A 29 2.168 -7.169 -9.316 1.00 0.00 O ATOM 405 CB THR A 29 4.781 -8.315 -9.109 1.00 0.00 C ATOM 406 OG1 THR A 29 5.701 -9.412 -9.124 1.00 0.00 O ATOM 407 CG2 THR A 29 5.523 -7.028 -8.784 1.00 0.00 C ATOM 0 H THR A 29 3.085 -10.244 -9.212 1.00 0.00 H new ATOM 0 HA THR A 29 4.091 -8.545 -7.077 1.00 0.00 H new ATOM 0 HB THR A 29 4.323 -8.213 -10.093 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.406 -9.238 -9.782 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.306 -6.863 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.825 -6.191 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.970 -7.106 -7.793 1.00 0.00 H new ATOM 415 N ALA A 30 2.187 -6.938 -7.078 1.00 0.00 N ATOM 416 CA ALA A 30 1.176 -5.888 -7.068 1.00 0.00 C ATOM 417 C ALA A 30 1.800 -4.527 -6.777 1.00 0.00 C ATOM 418 O ALA A 30 2.392 -4.319 -5.718 1.00 0.00 O ATOM 419 CB ALA A 30 0.096 -6.205 -6.044 1.00 0.00 C ATOM 0 H ALA A 30 2.535 -7.197 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 30 0.722 -5.846 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.652 -5.413 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.378 -7.153 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.544 -6.277 -5.053 1.00 0.00 H new ATOM 425 N SER A 31 1.666 -3.605 -7.724 1.00 0.00 N ATOM 426 CA SER A 31 2.221 -2.265 -7.571 1.00 0.00 C ATOM 427 C SER A 31 1.131 -1.206 -7.708 1.00 0.00 C ATOM 428 O SER A 31 0.221 -1.338 -8.526 1.00 0.00 O ATOM 429 CB SER A 31 3.317 -2.022 -8.611 1.00 0.00 C ATOM 430 OG SER A 31 2.762 -1.823 -9.899 1.00 0.00 O ATOM 0 H SER A 31 1.178 -3.761 -8.606 1.00 0.00 H new ATOM 0 HA SER A 31 2.653 -2.190 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.906 -1.150 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.998 -2.873 -8.632 1.00 0.00 H new ATOM 0 HG SER A 31 3.425 -1.391 -10.477 1.00 0.00 H new ATOM 436 N PHE A 32 1.231 -0.156 -6.900 1.00 0.00 N ATOM 437 CA PHE A 32 0.254 0.926 -6.928 1.00 0.00 C ATOM 438 C PHE A 32 0.939 2.282 -6.781 1.00 0.00 C ATOM 439 O PHE A 32 2.127 2.359 -6.467 1.00 0.00 O ATOM 440 CB PHE A 32 -0.778 0.740 -5.814 1.00 0.00 C ATOM 441 CG PHE A 32 -0.166 0.485 -4.466 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.311 -0.772 -4.134 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.068 1.504 -3.532 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.875 -1.010 -2.894 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.496 1.273 -2.292 1.00 0.00 C ATOM 446 CZ PHE A 32 0.967 0.014 -1.972 1.00 0.00 C ATOM 0 H PHE A 32 1.979 -0.031 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.254 0.898 -7.892 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.404 1.630 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.432 -0.093 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.242 -1.576 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.436 2.489 -3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.243 -1.995 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.569 2.076 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.406 -0.169 -1.002 1.00 0.00 H new ATOM 456 N THR A 33 0.181 3.349 -7.009 1.00 0.00 N ATOM 457 CA THR A 33 0.713 4.702 -6.904 1.00 0.00 C ATOM 458 C THR A 33 0.099 5.445 -5.723 1.00 0.00 C ATOM 459 O THR A 33 -1.116 5.411 -5.519 1.00 0.00 O ATOM 460 CB THR A 33 0.459 5.508 -8.192 1.00 0.00 C ATOM 461 OG1 THR A 33 1.086 4.862 -9.306 1.00 0.00 O ATOM 462 CG2 THR A 33 0.991 6.927 -8.056 1.00 0.00 C ATOM 0 H THR A 33 -0.805 3.303 -7.268 1.00 0.00 H new ATOM 0 HA THR A 33 1.788 4.607 -6.750 1.00 0.00 H new ATOM 0 HB THR A 33 -0.617 5.555 -8.359 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.918 5.380 -10.121 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.800 7.477 -8.978 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.490 7.425 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.064 6.897 -7.867 1.00 0.00 H new ATOM 470 N LEU A 34 0.943 6.116 -4.948 1.00 0.00 N ATOM 471 CA LEU A 34 0.482 6.868 -3.786 1.00 0.00 C ATOM 472 C LEU A 34 0.580 8.370 -4.037 1.00 0.00 C ATOM 473 O LEU A 34 1.673 8.937 -4.055 1.00 0.00 O ATOM 474 CB LEU A 34 1.302 6.491 -2.551 1.00 0.00 C ATOM 475 CG LEU A 34 1.113 7.381 -1.323 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.308 7.267 -0.794 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.118 7.016 -0.239 1.00 0.00 C ATOM 0 H LEU A 34 1.950 6.155 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.563 6.614 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.054 5.466 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.357 6.501 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 34 1.287 8.416 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.423 7.908 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.010 7.578 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.511 6.233 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.968 7.660 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.976 5.976 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.130 7.151 -0.621 1.00 0.00 H new ATOM 489 N LEU A 35 -0.569 9.009 -4.226 1.00 0.00 N ATOM 490 CA LEU A 35 -0.614 10.446 -4.473 1.00 0.00 C ATOM 491 C LEU A 35 -0.483 11.226 -3.169 1.00 0.00 C ATOM 492 O LEU A 35 -0.898 10.757 -2.109 1.00 0.00 O ATOM 493 CB LEU A 35 -1.919 10.822 -5.177 1.00 0.00 C ATOM 494 CG LEU A 35 -2.234 10.054 -6.461 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.737 9.990 -6.690 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.539 10.697 -7.652 1.00 0.00 C ATOM 0 H LEU A 35 -1.482 8.555 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 35 0.226 10.706 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.742 10.674 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.888 11.886 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.859 9.036 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.942 9.440 -7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.212 9.483 -5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.135 11.001 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.775 10.137 -8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.883 11.726 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.461 10.690 -7.492 1.00 0.00 H new ATOM 508 N CYS A 36 0.094 12.419 -3.256 1.00 0.00 N ATOM 509 CA CYS A 36 0.279 13.267 -2.083 1.00 0.00 C ATOM 510 C CYS A 36 -0.400 14.619 -2.276 1.00 0.00 C ATOM 511 O CYS A 36 0.024 15.426 -3.103 1.00 0.00 O ATOM 512 CB CYS A 36 1.769 13.466 -1.801 1.00 0.00 C ATOM 513 SG CYS A 36 2.701 11.926 -1.635 1.00 0.00 S ATOM 0 H CYS A 36 0.442 12.821 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.181 12.769 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.205 14.057 -2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.880 14.046 -0.885 1.00 0.00 H new ATOM 0 HG CYS A 36 3.701 11.932 -2.466 1.00 0.00 H new ATOM 519 N LYS A 37 -1.458 14.858 -1.509 1.00 0.00 N ATOM 520 CA LYS A 37 -2.198 16.112 -1.596 1.00 0.00 C ATOM 521 C LYS A 37 -1.992 16.953 -0.340 1.00 0.00 C ATOM 522 O LYS A 37 -1.485 16.464 0.670 1.00 0.00 O ATOM 523 CB LYS A 37 -3.690 15.835 -1.798 1.00 0.00 C ATOM 524 CG LYS A 37 -4.038 15.372 -3.202 1.00 0.00 C ATOM 525 CD LYS A 37 -3.937 13.861 -3.332 1.00 0.00 C ATOM 526 CE LYS A 37 -4.291 13.398 -4.736 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.758 13.446 -4.983 1.00 0.00 N ATOM 0 H LYS A 37 -1.823 14.200 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.819 16.670 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.010 15.076 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.253 16.741 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.049 15.693 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.367 15.845 -3.919 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.925 13.540 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.605 13.387 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.779 14.026 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.931 12.380 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.958 13.123 -5.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.245 12.827 -4.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.098 14.422 -4.867 1.00 0.00 H new ATOM 541 N ASP A 38 -2.389 18.218 -0.409 1.00 0.00 N ATOM 542 CA ASP A 38 -2.250 19.127 0.724 1.00 0.00 C ATOM 543 C ASP A 38 -3.392 18.935 1.717 1.00 0.00 C ATOM 544 O ASP A 38 -4.320 18.165 1.470 1.00 0.00 O ATOM 545 CB ASP A 38 -2.215 20.577 0.240 1.00 0.00 C ATOM 546 CG ASP A 38 -1.160 20.808 -0.823 1.00 0.00 C ATOM 547 OD1 ASP A 38 0.034 20.895 -0.466 1.00 0.00 O ATOM 548 OD2 ASP A 38 -1.527 20.900 -2.013 1.00 0.00 O ATOM 0 H ASP A 38 -2.810 18.638 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.312 18.899 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.193 20.848 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.023 21.235 1.087 1.00 0.00 H new ATOM 553 N ALA A 39 -3.317 19.642 2.840 1.00 0.00 N ATOM 554 CA ALA A 39 -4.345 19.551 3.870 1.00 0.00 C ATOM 555 C ALA A 39 -5.714 19.927 3.314 1.00 0.00 C ATOM 556 O ALA A 39 -6.745 19.543 3.864 1.00 0.00 O ATOM 557 CB ALA A 39 -3.990 20.442 5.050 1.00 0.00 C ATOM 0 H ALA A 39 -2.555 20.284 3.060 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.392 18.517 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.766 20.364 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.036 20.125 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.913 21.476 4.715 1.00 0.00 H new ATOM 563 N ALA A 40 -5.716 20.682 2.220 1.00 0.00 N ATOM 564 CA ALA A 40 -6.959 21.109 1.589 1.00 0.00 C ATOM 565 C ALA A 40 -7.491 20.038 0.642 1.00 0.00 C ATOM 566 O ALA A 40 -8.669 20.038 0.289 1.00 0.00 O ATOM 567 CB ALA A 40 -6.749 22.419 0.842 1.00 0.00 C ATOM 0 H ALA A 40 -4.871 21.010 1.753 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.700 21.264 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.685 22.726 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.423 23.188 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.989 22.282 0.073 1.00 0.00 H new ATOM 573 N GLY A 41 -6.613 19.126 0.235 1.00 0.00 N ATOM 574 CA GLY A 41 -7.014 18.063 -0.668 1.00 0.00 C ATOM 575 C GLY A 41 -6.680 18.373 -2.113 1.00 0.00 C ATOM 576 O GLY A 41 -7.318 17.855 -3.029 1.00 0.00 O ATOM 0 H GLY A 41 -5.632 19.104 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.521 17.136 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.087 17.896 -0.574 1.00 0.00 H new ATOM 580 N GLU A 42 -5.678 19.222 -2.319 1.00 0.00 N ATOM 581 CA GLU A 42 -5.263 19.601 -3.664 1.00 0.00 C ATOM 582 C GLU A 42 -3.820 19.180 -3.928 1.00 0.00 C ATOM 583 O GLU A 42 -3.043 18.973 -2.996 1.00 0.00 O ATOM 584 CB GLU A 42 -5.408 21.112 -3.859 1.00 0.00 C ATOM 585 CG GLU A 42 -4.425 21.929 -3.037 1.00 0.00 C ATOM 586 CD GLU A 42 -4.905 23.347 -2.794 1.00 0.00 C ATOM 587 OE1 GLU A 42 -4.597 24.227 -3.624 1.00 0.00 O ATOM 588 OE2 GLU A 42 -5.589 23.576 -1.775 1.00 0.00 O ATOM 0 H GLU A 42 -5.139 19.660 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.909 19.086 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.271 21.348 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.423 21.408 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.260 21.436 -2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.464 21.958 -3.550 1.00 0.00 H new ATOM 595 N ILE A 43 -3.471 19.053 -5.204 1.00 0.00 N ATOM 596 CA ILE A 43 -2.123 18.657 -5.591 1.00 0.00 C ATOM 597 C ILE A 43 -1.082 19.606 -5.006 1.00 0.00 C ATOM 598 O ILE A 43 -1.309 20.812 -4.915 1.00 0.00 O ATOM 599 CB ILE A 43 -1.965 18.619 -7.122 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.091 17.798 -7.753 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.607 18.046 -7.500 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.262 16.430 -7.131 1.00 0.00 C ATOM 0 H ILE A 43 -4.103 19.219 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.962 17.655 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.027 19.638 -7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.027 18.349 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.892 17.682 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.510 18.025 -8.585 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.181 18.669 -7.077 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.518 17.033 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.077 15.904 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.340 15.860 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.492 16.538 -6.071 1.00 0.00 H new ATOM 614 N MET A 44 0.061 19.053 -4.614 1.00 0.00 N ATOM 615 CA MET A 44 1.139 19.851 -4.042 1.00 0.00 C ATOM 616 C MET A 44 2.339 19.898 -4.982 1.00 0.00 C ATOM 617 O MET A 44 3.062 20.893 -5.033 1.00 0.00 O ATOM 618 CB MET A 44 1.560 19.280 -2.686 1.00 0.00 C ATOM 619 CG MET A 44 1.993 17.824 -2.748 1.00 0.00 C ATOM 620 SD MET A 44 1.920 17.009 -1.141 1.00 0.00 S ATOM 621 CE MET A 44 2.913 18.123 -0.151 1.00 0.00 C ATOM 0 H MET A 44 0.265 18.056 -4.682 1.00 0.00 H new ATOM 0 HA MET A 44 0.770 20.867 -3.902 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.380 19.878 -2.288 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.729 19.374 -1.987 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.355 17.289 -3.452 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.011 17.768 -3.134 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.822 17.613 0.169 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.178 18.999 -0.744 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.345 18.436 0.725 1.00 0.00 H new ATOM 631 N GLY A 45 2.546 18.815 -5.726 1.00 0.00 N ATOM 632 CA GLY A 45 3.660 18.754 -6.654 1.00 0.00 C ATOM 633 C GLY A 45 5.001 18.713 -5.948 1.00 0.00 C ATOM 634 O GLY A 45 5.968 19.326 -6.401 1.00 0.00 O ATOM 0 H GLY A 45 1.962 17.979 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.557 17.870 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.627 19.621 -7.314 1.00 0.00 H new ATOM 638 N ARG A 46 5.060 17.989 -4.835 1.00 0.00 N ATOM 639 CA ARG A 46 6.291 17.873 -4.063 1.00 0.00 C ATOM 640 C ARG A 46 6.290 16.596 -3.227 1.00 0.00 C ATOM 641 O ARG A 46 5.261 15.938 -3.081 1.00 0.00 O ATOM 642 CB ARG A 46 6.466 19.091 -3.154 1.00 0.00 C ATOM 643 CG ARG A 46 5.480 19.134 -1.998 1.00 0.00 C ATOM 644 CD ARG A 46 5.434 20.513 -1.358 1.00 0.00 C ATOM 645 NE ARG A 46 6.539 20.721 -0.426 1.00 0.00 N ATOM 646 CZ ARG A 46 7.735 21.168 -0.792 1.00 0.00 C ATOM 647 NH1 ARG A 46 7.979 21.453 -2.063 1.00 0.00 N ATOM 648 NH2 ARG A 46 8.690 21.331 0.115 1.00 0.00 N ATOM 0 H ARG A 46 4.269 17.474 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 46 7.126 17.828 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.481 19.094 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.355 19.997 -3.749 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.486 18.864 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.762 18.393 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.468 21.275 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.488 20.637 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 46 6.384 20.512 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.247 21.329 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.898 21.796 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.506 21.113 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.608 21.674 -0.167 1.00 0.00 H new ATOM 662 N GLY A 47 7.452 16.252 -2.680 1.00 0.00 N ATOM 663 CA GLY A 47 7.564 15.056 -1.866 1.00 0.00 C ATOM 664 C GLY A 47 8.005 15.359 -0.448 1.00 0.00 C ATOM 665 O GLY A 47 7.348 16.116 0.266 1.00 0.00 O ATOM 0 H GLY A 47 8.318 16.781 -2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.602 14.545 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.277 14.372 -2.327 1.00 0.00 H new ATOM 669 N GLY A 48 9.121 14.765 -0.037 1.00 0.00 N ATOM 670 CA GLY A 48 9.629 14.986 1.304 1.00 0.00 C ATOM 671 C GLY A 48 8.672 14.501 2.374 1.00 0.00 C ATOM 672 O GLY A 48 8.429 15.196 3.361 1.00 0.00 O ATOM 0 H GLY A 48 9.683 14.134 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.584 14.473 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.819 16.050 1.446 1.00 0.00 H new ATOM 676 N ASP A 49 8.126 13.306 2.179 1.00 0.00 N ATOM 677 CA ASP A 49 7.188 12.728 3.135 1.00 0.00 C ATOM 678 C ASP A 49 7.592 11.302 3.497 1.00 0.00 C ATOM 679 O ASP A 49 7.766 10.455 2.623 1.00 0.00 O ATOM 680 CB ASP A 49 5.770 12.740 2.562 1.00 0.00 C ATOM 681 CG ASP A 49 5.459 14.020 1.813 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.732 15.109 2.360 1.00 0.00 O ATOM 683 OD2 ASP A 49 4.943 13.934 0.678 1.00 0.00 O ATOM 0 H ASP A 49 8.317 12.718 1.367 1.00 0.00 H new ATOM 0 HA ASP A 49 7.210 13.334 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.645 11.890 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.053 12.614 3.373 1.00 0.00 H new ATOM 688 N ASN A 50 7.739 11.045 4.793 1.00 0.00 N ATOM 689 CA ASN A 50 8.124 9.722 5.271 1.00 0.00 C ATOM 690 C ASN A 50 6.955 8.747 5.173 1.00 0.00 C ATOM 691 O ASN A 50 6.081 8.719 6.039 1.00 0.00 O ATOM 692 CB ASN A 50 8.615 9.803 6.718 1.00 0.00 C ATOM 693 CG ASN A 50 7.906 10.885 7.510 1.00 0.00 C ATOM 694 OD1 ASN A 50 6.677 10.917 7.578 1.00 0.00 O ATOM 695 ND2 ASN A 50 8.680 11.780 8.113 1.00 0.00 N ATOM 0 H ASN A 50 7.597 11.735 5.531 1.00 0.00 H new ATOM 0 HA ASN A 50 8.933 9.356 4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.461 8.840 7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.688 9.996 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.260 12.532 8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.695 11.715 8.030 1.00 0.00 H new ATOM 702 N VAL A 51 6.946 7.948 4.111 1.00 0.00 N ATOM 703 CA VAL A 51 5.886 6.969 3.899 1.00 0.00 C ATOM 704 C VAL A 51 6.249 5.623 4.516 1.00 0.00 C ATOM 705 O VAL A 51 7.393 5.179 4.430 1.00 0.00 O ATOM 706 CB VAL A 51 5.595 6.773 2.400 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.524 5.711 2.198 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.179 8.089 1.761 1.00 0.00 C ATOM 0 H VAL A 51 7.661 7.959 3.384 1.00 0.00 H new ATOM 0 HA VAL A 51 4.993 7.359 4.387 1.00 0.00 H new ATOM 0 HB VAL A 51 6.508 6.432 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.332 5.586 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.866 4.765 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.606 6.020 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.977 7.931 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.279 8.463 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.982 8.818 1.873 1.00 0.00 H new ATOM 718 N GLN A 52 5.267 4.979 5.138 1.00 0.00 N ATOM 719 CA GLN A 52 5.484 3.683 5.770 1.00 0.00 C ATOM 720 C GLN A 52 4.622 2.608 5.116 1.00 0.00 C ATOM 721 O GLN A 52 3.408 2.763 4.988 1.00 0.00 O ATOM 722 CB GLN A 52 5.173 3.763 7.266 1.00 0.00 C ATOM 723 CG GLN A 52 4.675 2.453 7.854 1.00 0.00 C ATOM 724 CD GLN A 52 4.769 2.419 9.367 1.00 0.00 C ATOM 725 OE1 GLN A 52 5.801 2.763 9.944 1.00 0.00 O ATOM 726 NE2 GLN A 52 3.690 2.003 10.019 1.00 0.00 N ATOM 0 H GLN A 52 4.314 5.333 5.218 1.00 0.00 H new ATOM 0 HA GLN A 52 6.532 3.413 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.072 4.073 7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.422 4.535 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.639 2.295 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.256 1.629 7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.856 1.727 9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.695 1.959 11.038 1.00 0.00 H new ATOM 735 N VAL A 53 5.259 1.517 4.703 1.00 0.00 N ATOM 736 CA VAL A 53 4.551 0.415 4.062 1.00 0.00 C ATOM 737 C VAL A 53 4.934 -0.922 4.688 1.00 0.00 C ATOM 738 O VAL A 53 6.095 -1.328 4.648 1.00 0.00 O ATOM 739 CB VAL A 53 4.842 0.364 2.551 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.148 -0.831 1.913 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.411 1.660 1.882 1.00 0.00 C ATOM 0 H VAL A 53 6.264 1.373 4.801 1.00 0.00 H new ATOM 0 HA VAL A 53 3.486 0.592 4.213 1.00 0.00 H new ATOM 0 HB VAL A 53 5.917 0.248 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.365 -0.850 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.510 -1.750 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.071 -0.749 2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.624 1.607 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.342 1.809 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.958 2.495 2.320 1.00 0.00 H new ATOM 751 N ALA A 54 3.949 -1.602 5.265 1.00 0.00 N ATOM 752 CA ALA A 54 4.182 -2.895 5.898 1.00 0.00 C ATOM 753 C ALA A 54 3.021 -3.849 5.639 1.00 0.00 C ATOM 754 O ALA A 54 1.910 -3.638 6.126 1.00 0.00 O ATOM 755 CB ALA A 54 4.401 -2.719 7.393 1.00 0.00 C ATOM 0 H ALA A 54 2.982 -1.280 5.307 1.00 0.00 H new ATOM 0 HA ALA A 54 5.080 -3.330 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.574 -3.692 7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.268 -2.080 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.519 -2.259 7.838 1.00 0.00 H new ATOM 761 N VAL A 55 3.285 -4.901 4.870 1.00 0.00 N ATOM 762 CA VAL A 55 2.262 -5.888 4.547 1.00 0.00 C ATOM 763 C VAL A 55 2.326 -7.077 5.499 1.00 0.00 C ATOM 764 O VAL A 55 3.363 -7.729 5.627 1.00 0.00 O ATOM 765 CB VAL A 55 2.407 -6.395 3.100 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.309 -7.395 2.771 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.387 -5.228 2.123 1.00 0.00 C ATOM 0 H VAL A 55 4.199 -5.091 4.459 1.00 0.00 H new ATOM 0 HA VAL A 55 1.298 -5.391 4.655 1.00 0.00 H new ATOM 0 HB VAL A 55 3.367 -6.903 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.428 -7.742 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.375 -8.244 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.336 -6.916 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.491 -5.604 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.443 -4.691 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.213 -4.553 2.346 1.00 0.00 H new ATOM 777 N VAL A 56 1.210 -7.356 6.166 1.00 0.00 N ATOM 778 CA VAL A 56 1.139 -8.468 7.106 1.00 0.00 C ATOM 779 C VAL A 56 -0.155 -9.256 6.927 1.00 0.00 C ATOM 780 O VAL A 56 -1.255 -8.703 6.948 1.00 0.00 O ATOM 781 CB VAL A 56 1.232 -7.978 8.563 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.387 -9.156 9.513 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.384 -6.998 8.722 1.00 0.00 C ATOM 0 H VAL A 56 0.343 -6.827 6.072 1.00 0.00 H new ATOM 0 HA VAL A 56 1.989 -9.117 6.894 1.00 0.00 H new ATOM 0 HB VAL A 56 0.307 -7.459 8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.451 -8.791 10.538 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.526 -9.817 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.295 -9.705 9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.435 -6.662 9.758 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.319 -7.489 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.224 -6.140 8.069 1.00 0.00 H new ATOM 793 N PRO A 57 -0.022 -10.578 6.749 1.00 0.00 N ATOM 794 CA PRO A 57 -1.170 -11.471 6.564 1.00 0.00 C ATOM 795 C PRO A 57 -1.993 -11.627 7.838 1.00 0.00 C ATOM 796 O PRO A 57 -1.466 -11.987 8.891 1.00 0.00 O ATOM 797 CB PRO A 57 -0.524 -12.804 6.179 1.00 0.00 C ATOM 798 CG PRO A 57 0.843 -12.748 6.770 1.00 0.00 C ATOM 799 CD PRO A 57 1.259 -11.304 6.713 1.00 0.00 C ATOM 0 HA PRO A 57 -1.868 -11.089 5.819 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.091 -13.647 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.483 -12.926 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.840 -13.113 7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.536 -13.376 6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.897 -11.036 7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.821 -11.083 5.805 1.00 0.00 H new ATOM 807 N LYS A 58 -3.290 -11.354 7.736 1.00 0.00 N ATOM 808 CA LYS A 58 -4.188 -11.465 8.879 1.00 0.00 C ATOM 809 C LYS A 58 -4.126 -12.864 9.486 1.00 0.00 C ATOM 810 O LYS A 58 -4.501 -13.067 10.641 1.00 0.00 O ATOM 811 CB LYS A 58 -5.624 -11.143 8.459 1.00 0.00 C ATOM 812 CG LYS A 58 -6.573 -10.957 9.630 1.00 0.00 C ATOM 813 CD LYS A 58 -7.856 -10.264 9.204 1.00 0.00 C ATOM 814 CE LYS A 58 -7.739 -8.752 9.324 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.870 -8.053 8.654 1.00 0.00 N ATOM 0 H LYS A 58 -3.742 -11.054 6.872 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.867 -10.746 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.622 -10.235 7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.997 -11.947 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.810 -11.928 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.083 -10.371 10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.090 -10.531 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.683 -10.616 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.712 -8.472 10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.797 -8.425 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.753 -7.025 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.881 -8.299 7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.767 -8.346 9.091 1.00 0.00 H new ATOM 829 N ASP A 59 -3.650 -13.823 8.700 1.00 0.00 N ATOM 830 CA ASP A 59 -3.536 -15.202 9.161 1.00 0.00 C ATOM 831 C ASP A 59 -2.364 -15.359 10.125 1.00 0.00 C ATOM 832 O ASP A 59 -2.550 -15.674 11.300 1.00 0.00 O ATOM 833 CB ASP A 59 -3.364 -16.148 7.971 1.00 0.00 C ATOM 834 CG ASP A 59 -4.244 -15.766 6.797 1.00 0.00 C ATOM 835 OD1 ASP A 59 -3.808 -14.933 5.975 1.00 0.00 O ATOM 836 OD2 ASP A 59 -5.369 -16.300 6.700 1.00 0.00 O ATOM 0 H ASP A 59 -3.337 -13.671 7.741 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.454 -15.459 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.321 -16.145 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.600 -17.166 8.282 1.00 0.00 H new ATOM 841 N LYS A 60 -1.156 -15.137 9.619 1.00 0.00 N ATOM 842 CA LYS A 60 0.049 -15.252 10.433 1.00 0.00 C ATOM 843 C LYS A 60 0.554 -13.877 10.855 1.00 0.00 C ATOM 844 O LYS A 60 0.614 -12.951 10.046 1.00 0.00 O ATOM 845 CB LYS A 60 1.142 -15.994 9.661 1.00 0.00 C ATOM 846 CG LYS A 60 0.725 -17.379 9.196 1.00 0.00 C ATOM 847 CD LYS A 60 0.678 -18.365 10.352 1.00 0.00 C ATOM 848 CE LYS A 60 2.047 -18.969 10.625 1.00 0.00 C ATOM 849 NZ LYS A 60 2.827 -18.158 11.600 1.00 0.00 N ATOM 0 H LYS A 60 -0.985 -14.876 8.648 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.202 -15.818 11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.430 -15.400 8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.025 -16.083 10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.255 -17.325 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.425 -17.736 8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.317 -17.860 11.248 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.033 -19.160 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.927 -19.982 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.603 -19.046 9.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.141 -18.765 12.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.657 -17.749 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.229 -17.393 11.972 1.00 0.00 H new ATOM 863 N LYS A 61 0.918 -13.750 12.127 1.00 0.00 N ATOM 864 CA LYS A 61 1.421 -12.488 12.657 1.00 0.00 C ATOM 865 C LYS A 61 2.922 -12.359 12.420 1.00 0.00 C ATOM 866 O LYS A 61 3.432 -11.261 12.195 1.00 0.00 O ATOM 867 CB LYS A 61 1.120 -12.383 14.153 1.00 0.00 C ATOM 868 CG LYS A 61 1.758 -13.485 14.981 1.00 0.00 C ATOM 869 CD LYS A 61 0.943 -13.791 16.226 1.00 0.00 C ATOM 870 CE LYS A 61 -0.325 -14.559 15.887 1.00 0.00 C ATOM 871 NZ LYS A 61 -1.375 -14.385 16.929 1.00 0.00 N ATOM 0 H LYS A 61 0.874 -14.506 12.810 1.00 0.00 H new ATOM 0 HA LYS A 61 0.916 -11.676 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.469 -11.417 14.518 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.040 -12.408 14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.853 -14.387 14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.766 -13.187 15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.546 -14.372 16.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.682 -12.860 16.729 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.709 -14.220 14.925 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.091 -15.618 15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.223 -14.924 16.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.019 -14.732 17.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.618 -13.377 17.013 1.00 0.00 H new ATOM 885 N ASP A 62 3.624 -13.486 12.470 1.00 0.00 N ATOM 886 CA ASP A 62 5.067 -13.498 12.258 1.00 0.00 C ATOM 887 C ASP A 62 5.398 -13.432 10.770 1.00 0.00 C ATOM 888 O ASP A 62 5.918 -12.427 10.284 1.00 0.00 O ATOM 889 CB ASP A 62 5.683 -14.755 12.875 1.00 0.00 C ATOM 890 CG ASP A 62 5.310 -14.926 14.334 1.00 0.00 C ATOM 891 OD1 ASP A 62 5.022 -13.907 14.997 1.00 0.00 O ATOM 892 OD2 ASP A 62 5.305 -16.079 14.813 1.00 0.00 O ATOM 0 H ASP A 62 3.217 -14.403 12.655 1.00 0.00 H new ATOM 0 HA ASP A 62 5.489 -12.619 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.354 -15.630 12.314 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.768 -14.707 12.784 1.00 0.00 H new ATOM 897 N SER A 63 5.095 -14.509 10.053 1.00 0.00 N ATOM 898 CA SER A 63 5.365 -14.575 8.621 1.00 0.00 C ATOM 899 C SER A 63 5.245 -13.195 7.982 1.00 0.00 C ATOM 900 O SER A 63 4.159 -12.744 7.616 1.00 0.00 O ATOM 901 CB SER A 63 4.400 -15.549 7.943 1.00 0.00 C ATOM 902 OG SER A 63 4.833 -16.889 8.101 1.00 0.00 O ATOM 0 H SER A 63 4.662 -15.348 10.440 1.00 0.00 H new ATOM 0 HA SER A 63 6.386 -14.932 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.403 -15.433 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.324 -15.311 6.882 1.00 0.00 H new ATOM 0 HG SER A 63 4.198 -17.492 7.660 1.00 0.00 H new ATOM 908 N PRO A 64 6.388 -12.507 7.843 1.00 0.00 N ATOM 909 CA PRO A 64 6.439 -11.168 7.247 1.00 0.00 C ATOM 910 C PRO A 64 6.155 -11.189 5.749 1.00 0.00 C ATOM 911 O PRO A 64 5.896 -12.245 5.171 1.00 0.00 O ATOM 912 CB PRO A 64 7.877 -10.716 7.513 1.00 0.00 C ATOM 913 CG PRO A 64 8.654 -11.981 7.639 1.00 0.00 C ATOM 914 CD PRO A 64 7.719 -12.982 8.257 1.00 0.00 C ATOM 0 HA PRO A 64 5.684 -10.505 7.670 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.255 -10.099 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.943 -10.119 8.422 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.003 -12.323 6.665 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.537 -11.836 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.916 -13.992 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.817 -13.007 9.342 1.00 0.00 H new ATOM 922 N VAL A 65 6.206 -10.017 5.125 1.00 0.00 N ATOM 923 CA VAL A 65 5.956 -9.901 3.694 1.00 0.00 C ATOM 924 C VAL A 65 6.936 -8.932 3.041 1.00 0.00 C ATOM 925 O VAL A 65 6.950 -7.742 3.356 1.00 0.00 O ATOM 926 CB VAL A 65 4.518 -9.428 3.411 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.262 -9.359 1.914 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.513 -10.345 4.091 1.00 0.00 C ATOM 0 H VAL A 65 6.418 -9.134 5.589 1.00 0.00 H new ATOM 0 HA VAL A 65 6.094 -10.895 3.268 1.00 0.00 H new ATOM 0 HB VAL A 65 4.397 -8.425 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.241 -9.023 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.960 -8.658 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.401 -10.347 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.502 -9.996 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.633 -11.360 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.683 -10.337 5.168 1.00 0.00 H new ATOM 938 N ARG A 66 7.753 -9.449 2.130 1.00 0.00 N ATOM 939 CA ARG A 66 8.737 -8.629 1.433 1.00 0.00 C ATOM 940 C ARG A 66 8.057 -7.504 0.659 1.00 0.00 C ATOM 941 O ARG A 66 7.163 -7.745 -0.153 1.00 0.00 O ATOM 942 CB ARG A 66 9.566 -9.491 0.479 1.00 0.00 C ATOM 943 CG ARG A 66 8.755 -10.093 -0.657 1.00 0.00 C ATOM 944 CD ARG A 66 9.484 -11.262 -1.303 1.00 0.00 C ATOM 945 NE ARG A 66 8.563 -12.184 -1.962 1.00 0.00 N ATOM 946 CZ ARG A 66 8.915 -13.388 -2.398 1.00 0.00 C ATOM 947 NH1 ARG A 66 10.162 -13.814 -2.244 1.00 0.00 N ATOM 948 NH2 ARG A 66 8.020 -14.170 -2.988 1.00 0.00 N ATOM 0 H ARG A 66 7.753 -10.432 1.857 1.00 0.00 H new ATOM 0 HA ARG A 66 9.397 -8.186 2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.369 -8.885 0.060 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.036 -10.295 1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.790 -10.429 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.554 -9.328 -1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.202 -10.884 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.053 -11.799 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 66 7.596 -11.887 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.853 -13.216 -1.790 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.430 -14.739 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.060 -13.847 -3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.292 -15.094 -3.322 1.00 0.00 H new ATOM 962 N THR A 67 8.486 -6.272 0.917 1.00 0.00 N ATOM 963 CA THR A 67 7.918 -5.109 0.246 1.00 0.00 C ATOM 964 C THR A 67 9.013 -4.191 -0.284 1.00 0.00 C ATOM 965 O THR A 67 10.151 -4.234 0.182 1.00 0.00 O ATOM 966 CB THR A 67 7.003 -4.307 1.191 1.00 0.00 C ATOM 967 OG1 THR A 67 7.636 -4.147 2.466 1.00 0.00 O ATOM 968 CG2 THR A 67 5.663 -5.004 1.368 1.00 0.00 C ATOM 0 H THR A 67 9.225 -6.054 1.586 1.00 0.00 H new ATOM 0 HA THR A 67 7.326 -5.483 -0.589 1.00 0.00 H new ATOM 0 HB THR A 67 6.828 -3.327 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.049 -3.635 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.034 -4.419 2.039 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.171 -5.098 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.822 -5.996 1.792 1.00 0.00 H new ATOM 976 N MET A 68 8.661 -3.360 -1.260 1.00 0.00 N ATOM 977 CA MET A 68 9.615 -2.429 -1.851 1.00 0.00 C ATOM 978 C MET A 68 8.998 -1.042 -2.005 1.00 0.00 C ATOM 979 O MET A 68 7.834 -0.908 -2.385 1.00 0.00 O ATOM 980 CB MET A 68 10.085 -2.944 -3.213 1.00 0.00 C ATOM 981 CG MET A 68 11.308 -2.217 -3.748 1.00 0.00 C ATOM 982 SD MET A 68 12.781 -2.507 -2.749 1.00 0.00 S ATOM 983 CE MET A 68 13.739 -3.544 -3.851 1.00 0.00 C ATOM 0 H MET A 68 7.723 -3.312 -1.658 1.00 0.00 H new ATOM 0 HA MET A 68 10.473 -2.354 -1.182 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.311 -4.007 -3.132 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.271 -2.845 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.499 -2.540 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.103 -1.147 -3.784 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.682 -3.808 -3.373 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.179 -4.452 -4.075 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.940 -3.004 -4.776 1.00 0.00 H new ATOM 993 N VAL A 69 9.784 -0.013 -1.707 1.00 0.00 N ATOM 994 CA VAL A 69 9.315 1.363 -1.813 1.00 0.00 C ATOM 995 C VAL A 69 10.364 2.252 -2.472 1.00 0.00 C ATOM 996 O VAL A 69 11.379 2.587 -1.863 1.00 0.00 O ATOM 997 CB VAL A 69 8.963 1.944 -0.430 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.187 1.957 0.472 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.380 3.342 -0.573 1.00 0.00 C ATOM 0 H VAL A 69 10.749 -0.106 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 69 8.417 1.345 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 69 8.209 1.306 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.918 2.371 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.555 0.939 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.966 2.570 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.137 3.737 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.109 3.993 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.475 3.299 -1.180 1.00 0.00 H new ATOM 1009 N GLN A 70 10.110 2.630 -3.721 1.00 0.00 N ATOM 1010 CA GLN A 70 11.033 3.480 -4.464 1.00 0.00 C ATOM 1011 C GLN A 70 10.707 4.955 -4.249 1.00 0.00 C ATOM 1012 O GLN A 70 9.819 5.506 -4.899 1.00 0.00 O ATOM 1013 CB GLN A 70 10.979 3.146 -5.956 1.00 0.00 C ATOM 1014 CG GLN A 70 12.218 3.581 -6.722 1.00 0.00 C ATOM 1015 CD GLN A 70 12.308 2.946 -8.095 1.00 0.00 C ATOM 1016 OE1 GLN A 70 13.307 2.311 -8.434 1.00 0.00 O ATOM 1017 NE2 GLN A 70 11.261 3.114 -8.895 1.00 0.00 N ATOM 0 H GLN A 70 9.273 2.361 -4.239 1.00 0.00 H new ATOM 0 HA GLN A 70 12.040 3.291 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.848 2.070 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.104 3.624 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.213 4.666 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.106 3.321 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.454 3.648 -8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.264 2.709 -9.831 1.00 0.00 H new ATOM 1026 N ASP A 71 11.432 5.588 -3.333 1.00 0.00 N ATOM 1027 CA ASP A 71 11.221 6.999 -3.032 1.00 0.00 C ATOM 1028 C ASP A 71 11.585 7.870 -4.230 1.00 0.00 C ATOM 1029 O ASP A 71 12.743 7.922 -4.643 1.00 0.00 O ATOM 1030 CB ASP A 71 12.048 7.412 -1.814 1.00 0.00 C ATOM 1031 CG ASP A 71 12.095 6.331 -0.752 1.00 0.00 C ATOM 1032 OD1 ASP A 71 11.026 5.992 -0.203 1.00 0.00 O ATOM 1033 OD2 ASP A 71 13.201 5.825 -0.469 1.00 0.00 O ATOM 0 H ASP A 71 12.171 5.146 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 71 10.164 7.144 -2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.063 7.650 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.627 8.321 -1.384 1.00 0.00 H new ATOM 1038 N ASN A 72 10.589 8.552 -4.785 1.00 0.00 N ATOM 1039 CA ASN A 72 10.805 9.420 -5.937 1.00 0.00 C ATOM 1040 C ASN A 72 10.605 10.885 -5.560 1.00 0.00 C ATOM 1041 O ASN A 72 11.063 11.786 -6.262 1.00 0.00 O ATOM 1042 CB ASN A 72 9.853 9.040 -7.073 1.00 0.00 C ATOM 1043 CG ASN A 72 10.380 7.888 -7.907 1.00 0.00 C ATOM 1044 OD1 ASN A 72 11.397 8.014 -8.588 1.00 0.00 O ATOM 1045 ND2 ASN A 72 9.686 6.756 -7.857 1.00 0.00 N ATOM 0 H ASN A 72 9.624 8.521 -4.456 1.00 0.00 H new ATOM 0 HA ASN A 72 11.833 9.287 -6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.883 8.769 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.693 9.906 -7.715 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.991 5.946 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.848 6.697 -7.278 1.00 0.00 H new ATOM 1052 N LYS A 73 9.917 11.114 -4.446 1.00 0.00 N ATOM 1053 CA LYS A 73 9.657 12.469 -3.973 1.00 0.00 C ATOM 1054 C LYS A 73 9.323 13.397 -5.136 1.00 0.00 C ATOM 1055 O LYS A 73 9.622 14.590 -5.096 1.00 0.00 O ATOM 1056 CB LYS A 73 10.870 13.006 -3.210 1.00 0.00 C ATOM 1057 CG LYS A 73 11.238 12.178 -1.991 1.00 0.00 C ATOM 1058 CD LYS A 73 12.197 11.055 -2.348 1.00 0.00 C ATOM 1059 CE LYS A 73 13.642 11.528 -2.328 1.00 0.00 C ATOM 1060 NZ LYS A 73 14.068 12.065 -3.650 1.00 0.00 N ATOM 0 H LYS A 73 9.530 10.379 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 73 8.799 12.434 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.725 13.044 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.667 14.030 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.693 12.821 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.334 11.759 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.073 10.232 -1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.953 10.668 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.761 12.299 -1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.292 10.699 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.058 11.801 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.463 11.669 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.982 13.101 -3.648 1.00 0.00 H new ATOM 1074 N ASP A 74 8.700 12.842 -6.169 1.00 0.00 N ATOM 1075 CA ASP A 74 8.323 13.621 -7.343 1.00 0.00 C ATOM 1076 C ASP A 74 6.807 13.766 -7.434 1.00 0.00 C ATOM 1077 O ASP A 74 6.242 13.811 -8.526 1.00 0.00 O ATOM 1078 CB ASP A 74 8.862 12.962 -8.614 1.00 0.00 C ATOM 1079 CG ASP A 74 8.922 13.924 -9.784 1.00 0.00 C ATOM 1080 OD1 ASP A 74 9.301 15.095 -9.571 1.00 0.00 O ATOM 1081 OD2 ASP A 74 8.591 13.506 -10.913 1.00 0.00 O ATOM 0 H ASP A 74 8.445 11.856 -6.218 1.00 0.00 H new ATOM 0 HA ASP A 74 8.760 14.615 -7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.859 12.567 -8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.229 12.114 -8.877 1.00 0.00 H new ATOM 1086 N GLY A 75 6.153 13.838 -6.278 1.00 0.00 N ATOM 1087 CA GLY A 75 4.709 13.975 -6.250 1.00 0.00 C ATOM 1088 C GLY A 75 4.004 12.649 -6.048 1.00 0.00 C ATOM 1089 O GLY A 75 2.913 12.597 -5.479 1.00 0.00 O ATOM 0 H GLY A 75 6.598 13.804 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.428 14.658 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.372 14.424 -7.184 1.00 0.00 H new ATOM 1093 N THR A 76 4.626 11.572 -6.518 1.00 0.00 N ATOM 1094 CA THR A 76 4.050 10.239 -6.389 1.00 0.00 C ATOM 1095 C THR A 76 5.108 9.221 -5.981 1.00 0.00 C ATOM 1096 O THR A 76 6.299 9.416 -6.225 1.00 0.00 O ATOM 1097 CB THR A 76 3.394 9.782 -7.705 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.388 9.639 -8.725 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.336 10.777 -8.157 1.00 0.00 C ATOM 0 H THR A 76 5.529 11.597 -6.992 1.00 0.00 H new ATOM 0 HA THR A 76 3.287 10.297 -5.612 1.00 0.00 H new ATOM 0 HB THR A 76 2.913 8.820 -7.530 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.962 9.346 -9.558 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.887 10.433 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.565 10.861 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.797 11.752 -8.315 1.00 0.00 H new ATOM 1107 N TYR A 77 4.666 8.133 -5.359 1.00 0.00 N ATOM 1108 CA TYR A 77 5.576 7.084 -4.915 1.00 0.00 C ATOM 1109 C TYR A 77 5.255 5.759 -5.600 1.00 0.00 C ATOM 1110 O TYR A 77 4.148 5.559 -6.102 1.00 0.00 O ATOM 1111 CB TYR A 77 5.496 6.918 -3.396 1.00 0.00 C ATOM 1112 CG TYR A 77 6.186 8.023 -2.629 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.508 9.187 -2.287 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.517 7.905 -2.248 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.135 10.199 -1.587 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.152 8.912 -1.547 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.456 10.057 -1.219 1.00 0.00 C ATOM 1118 OH TYR A 77 8.085 11.063 -0.522 1.00 0.00 O ATOM 0 H TYR A 77 3.683 7.955 -5.151 1.00 0.00 H new ATOM 0 HA TYR A 77 6.589 7.378 -5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.448 6.880 -3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.941 5.962 -3.119 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.473 9.302 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.065 7.010 -2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.593 11.097 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.187 8.803 -1.258 1.00 0.00 H new ATOM 0 HH TYR A 77 7.999 10.898 0.440 1.00 0.00 H new ATOM 1128 N TYR A 78 6.230 4.857 -5.615 1.00 0.00 N ATOM 1129 CA TYR A 78 6.053 3.551 -6.239 1.00 0.00 C ATOM 1130 C TYR A 78 6.235 2.431 -5.220 1.00 0.00 C ATOM 1131 O TYR A 78 7.350 2.154 -4.778 1.00 0.00 O ATOM 1132 CB TYR A 78 7.046 3.374 -7.390 1.00 0.00 C ATOM 1133 CG TYR A 78 6.612 2.347 -8.411 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.329 2.369 -8.945 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.483 1.355 -8.842 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.927 1.432 -9.878 1.00 0.00 C ATOM 1137 CE2 TYR A 78 7.091 0.415 -9.776 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.812 0.458 -10.290 1.00 0.00 C ATOM 1139 OH TYR A 78 5.417 -0.477 -11.219 1.00 0.00 O ATOM 0 H TYR A 78 7.151 5.006 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 78 5.038 3.499 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.186 4.333 -7.889 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.014 3.082 -6.982 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.634 3.132 -8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.485 1.317 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.926 1.462 -10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.782 -0.349 -10.101 1.00 0.00 H new ATOM 0 HH TYR A 78 6.159 -1.091 -11.401 1.00 0.00 H new ATOM 1149 N ILE A 79 5.130 1.790 -4.852 1.00 0.00 N ATOM 1150 CA ILE A 79 5.166 0.699 -3.886 1.00 0.00 C ATOM 1151 C ILE A 79 4.915 -0.643 -4.564 1.00 0.00 C ATOM 1152 O ILE A 79 4.052 -0.760 -5.433 1.00 0.00 O ATOM 1153 CB ILE A 79 4.125 0.901 -2.770 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.383 2.217 -2.032 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.154 -0.271 -1.799 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.168 2.751 -1.306 1.00 0.00 C ATOM 0 H ILE A 79 4.199 2.008 -5.208 1.00 0.00 H new ATOM 0 HA ILE A 79 6.163 0.700 -3.445 1.00 0.00 H new ATOM 0 HB ILE A 79 3.135 0.948 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.190 2.069 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.726 2.964 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.412 -0.113 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.926 -1.193 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.145 -0.348 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.424 3.685 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.366 2.931 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.837 2.022 -0.566 1.00 0.00 H new ATOM 1168 N SER A 80 5.675 -1.656 -4.158 1.00 0.00 N ATOM 1169 CA SER A 80 5.536 -2.991 -4.728 1.00 0.00 C ATOM 1170 C SER A 80 5.631 -4.058 -3.641 1.00 0.00 C ATOM 1171 O SER A 80 6.492 -3.991 -2.763 1.00 0.00 O ATOM 1172 CB SER A 80 6.613 -3.231 -5.788 1.00 0.00 C ATOM 1173 OG SER A 80 6.319 -2.525 -6.981 1.00 0.00 O ATOM 0 H SER A 80 6.392 -1.577 -3.437 1.00 0.00 H new ATOM 0 HA SER A 80 4.554 -3.059 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.583 -2.915 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.687 -4.297 -6.001 1.00 0.00 H new ATOM 0 HG SER A 80 7.022 -2.693 -7.642 1.00 0.00 H new ATOM 1179 N TYR A 81 4.740 -5.040 -3.706 1.00 0.00 N ATOM 1180 CA TYR A 81 4.720 -6.121 -2.727 1.00 0.00 C ATOM 1181 C TYR A 81 4.279 -7.432 -3.371 1.00 0.00 C ATOM 1182 O TYR A 81 3.397 -7.450 -4.230 1.00 0.00 O ATOM 1183 CB TYR A 81 3.785 -5.770 -1.568 1.00 0.00 C ATOM 1184 CG TYR A 81 2.318 -5.873 -1.921 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.688 -7.109 -1.995 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.564 -4.736 -2.180 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.348 -7.209 -2.318 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.223 -4.826 -2.501 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.380 -6.065 -2.569 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.715 -6.159 -2.890 1.00 0.00 O ATOM 0 H TYR A 81 4.021 -5.110 -4.426 1.00 0.00 H new ATOM 0 HA TYR A 81 5.732 -6.248 -2.344 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.996 -6.433 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.999 -4.755 -1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.255 -8.007 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.034 -3.765 -2.130 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.126 -8.178 -2.374 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.350 -3.932 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.080 -5.261 -3.035 1.00 0.00 H new ATOM 1200 N THR A 82 4.900 -8.529 -2.950 1.00 0.00 N ATOM 1201 CA THR A 82 4.575 -9.845 -3.484 1.00 0.00 C ATOM 1202 C THR A 82 4.357 -10.855 -2.363 1.00 0.00 C ATOM 1203 O THR A 82 5.285 -11.237 -1.650 1.00 0.00 O ATOM 1204 CB THR A 82 5.685 -10.363 -4.418 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.865 -9.459 -5.514 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.345 -11.748 -4.947 1.00 0.00 C ATOM 0 H THR A 82 5.632 -8.532 -2.240 1.00 0.00 H new ATOM 0 HA THR A 82 3.653 -9.735 -4.055 1.00 0.00 H new ATOM 0 HB THR A 82 6.610 -10.427 -3.845 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.573 -9.795 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.143 -12.093 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.238 -12.440 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.409 -11.705 -5.505 1.00 0.00 H new ATOM 1214 N PRO A 83 3.102 -11.300 -2.202 1.00 0.00 N ATOM 1215 CA PRO A 83 2.733 -12.273 -1.170 1.00 0.00 C ATOM 1216 C PRO A 83 3.294 -13.662 -1.456 1.00 0.00 C ATOM 1217 O PRO A 83 3.611 -13.992 -2.599 1.00 0.00 O ATOM 1218 CB PRO A 83 1.204 -12.291 -1.229 1.00 0.00 C ATOM 1219 CG PRO A 83 0.873 -11.863 -2.617 1.00 0.00 C ATOM 1220 CD PRO A 83 1.946 -10.888 -3.017 1.00 0.00 C ATOM 0 HA PRO A 83 3.132 -12.001 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.811 -13.286 -1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.771 -11.614 -0.492 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.850 -12.717 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.112 -11.398 -2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.165 -10.946 -4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.653 -9.859 -2.808 1.00 0.00 H new ATOM 1228 N LYS A 84 3.413 -14.474 -0.411 1.00 0.00 N ATOM 1229 CA LYS A 84 3.933 -15.829 -0.550 1.00 0.00 C ATOM 1230 C LYS A 84 2.821 -16.859 -0.383 1.00 0.00 C ATOM 1231 O LYS A 84 2.752 -17.838 -1.125 1.00 0.00 O ATOM 1232 CB LYS A 84 5.036 -16.082 0.481 1.00 0.00 C ATOM 1233 CG LYS A 84 6.188 -15.097 0.393 1.00 0.00 C ATOM 1234 CD LYS A 84 5.930 -13.860 1.237 1.00 0.00 C ATOM 1235 CE LYS A 84 6.923 -12.752 0.920 1.00 0.00 C ATOM 1236 NZ LYS A 84 8.217 -12.945 1.632 1.00 0.00 N ATOM 0 H LYS A 84 3.156 -14.217 0.542 1.00 0.00 H new ATOM 0 HA LYS A 84 4.350 -15.930 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.605 -16.035 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.422 -17.093 0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.107 -15.580 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.339 -14.805 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.916 -13.503 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.997 -14.119 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.101 -12.721 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.495 -11.790 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.866 -12.169 1.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.051 -12.949 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.639 -13.851 1.346 1.00 0.00 H new ATOM 1250 N GLU A 85 1.951 -16.630 0.596 1.00 0.00 N ATOM 1251 CA GLU A 85 0.841 -17.539 0.859 1.00 0.00 C ATOM 1252 C GLU A 85 -0.498 -16.847 0.619 1.00 0.00 C ATOM 1253 O GLU A 85 -0.645 -15.641 0.814 1.00 0.00 O ATOM 1254 CB GLU A 85 0.908 -18.059 2.296 1.00 0.00 C ATOM 1255 CG GLU A 85 2.116 -18.940 2.570 1.00 0.00 C ATOM 1256 CD GLU A 85 2.002 -20.304 1.918 1.00 0.00 C ATOM 1257 OE1 GLU A 85 1.233 -20.433 0.943 1.00 0.00 O ATOM 1258 OE2 GLU A 85 2.682 -21.243 2.383 1.00 0.00 O ATOM 0 H GLU A 85 1.993 -15.824 1.219 1.00 0.00 H new ATOM 0 HA GLU A 85 0.924 -18.381 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.925 -17.210 2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.001 -18.624 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.015 -18.442 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.234 -19.064 3.646 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.498 -17.629 0.184 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.842 -17.113 -0.093 1.00 0.00 C ATOM 1267 C PRO A 86 -3.580 -16.708 1.178 1.00 0.00 C ATOM 1268 O PRO A 86 -3.283 -17.203 2.264 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.543 -18.296 -0.765 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.823 -19.499 -0.263 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.393 -19.075 -0.071 1.00 0.00 C ATOM 0 HA PRO A 86 -2.815 -16.212 -0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.601 -18.330 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.486 -18.225 -1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.255 -19.850 0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.894 -20.322 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.928 -19.598 0.765 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.790 -19.285 -0.954 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.545 -15.805 1.034 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.312 -15.349 2.179 1.00 0.00 C ATOM 1281 C GLY A 87 -5.484 -13.843 2.199 1.00 0.00 C ATOM 1282 O GLY A 87 -5.023 -13.146 1.295 1.00 0.00 O ATOM 0 H GLY A 87 -4.809 -15.381 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.293 -15.824 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.815 -15.667 3.095 1.00 0.00 H new ATOM 1286 N VAL A 88 -6.153 -13.339 3.231 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.386 -11.906 3.365 1.00 0.00 C ATOM 1288 C VAL A 88 -5.207 -11.218 4.043 1.00 0.00 C ATOM 1289 O VAL A 88 -4.765 -11.633 5.114 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.667 -11.619 4.171 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.552 -12.189 5.576 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.944 -10.124 4.214 1.00 0.00 C ATOM 0 H VAL A 88 -6.543 -13.902 3.987 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.503 -11.509 2.357 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.506 -12.107 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.466 -11.977 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.404 -13.267 5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.704 -11.732 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.852 -9.939 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.106 -9.612 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.073 -9.748 3.199 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.702 -10.164 3.412 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.571 -9.419 3.953 1.00 0.00 C ATOM 1304 C TYR A 89 -3.996 -8.015 4.375 1.00 0.00 C ATOM 1305 O TYR A 89 -5.059 -7.531 3.984 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.447 -9.334 2.919 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.655 -10.614 2.780 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.222 -11.747 2.209 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.339 -10.691 3.219 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.502 -12.919 2.081 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.389 -11.858 3.093 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.197 -12.969 2.524 1.00 0.00 C ATOM 1313 OH TYR A 89 0.524 -14.134 2.396 1.00 0.00 O ATOM 0 H TYR A 89 -5.058 -9.806 2.526 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.207 -9.949 4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.874 -9.074 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.770 -8.526 3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.243 -11.711 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.123 -9.823 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.958 -13.791 1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.411 -11.900 3.438 1.00 0.00 H new ATOM 0 HH TYR A 89 0.301 -14.565 1.545 1.00 0.00 H new ATOM 1323 N THR A 90 -3.157 -7.366 5.176 1.00 0.00 N ATOM 1324 CA THR A 90 -3.444 -6.019 5.652 1.00 0.00 C ATOM 1325 C THR A 90 -2.324 -5.054 5.280 1.00 0.00 C ATOM 1326 O THR A 90 -1.277 -5.022 5.927 1.00 0.00 O ATOM 1327 CB THR A 90 -3.641 -5.993 7.180 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.310 -7.185 7.608 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.447 -4.774 7.601 1.00 0.00 C ATOM 0 H THR A 90 -2.273 -7.752 5.509 1.00 0.00 H new ATOM 0 HA THR A 90 -4.368 -5.703 5.168 1.00 0.00 H new ATOM 0 HB THR A 90 -2.659 -5.939 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.430 -7.162 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.573 -4.777 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.921 -3.868 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.426 -4.802 7.122 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.551 -4.267 4.233 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.561 -3.299 3.775 1.00 0.00 C ATOM 1339 C VAL A 91 -1.574 -2.047 4.645 1.00 0.00 C ATOM 1340 O VAL A 91 -2.503 -1.242 4.578 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.808 -2.895 2.309 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.768 -1.883 1.852 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.801 -4.122 1.410 1.00 0.00 C ATOM 0 H VAL A 91 -3.412 -4.281 3.686 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.587 -3.781 3.852 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.790 -2.428 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.958 -1.609 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.826 -0.993 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.227 -2.321 1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.977 -3.818 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.834 -4.620 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.587 -4.808 1.725 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.537 -1.889 5.459 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.429 -0.734 6.343 1.00 0.00 C ATOM 1355 C TRP A 92 0.295 0.415 5.650 1.00 0.00 C ATOM 1356 O TRP A 92 1.472 0.303 5.305 1.00 0.00 O ATOM 1357 CB TRP A 92 0.308 -1.116 7.628 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.560 -1.827 8.621 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.349 -2.917 8.388 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.728 -1.496 10.004 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.998 -3.283 9.542 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.633 -2.428 10.548 1.00 0.00 C ATOM 1363 CE3 TRP A 92 -0.200 -0.505 10.836 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -2.020 -2.396 11.885 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 -0.586 -0.474 12.162 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -1.488 -1.414 12.677 1.00 0.00 C ATOM 0 H TRP A 92 0.241 -2.546 5.525 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.437 -0.405 6.595 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.156 -1.752 7.376 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.712 -0.214 8.089 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.448 -3.418 7.436 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.647 -4.065 9.635 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.497 0.223 10.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.715 -3.120 12.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.185 0.289 12.813 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.769 -1.363 13.719 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.415 1.521 5.449 1.00 0.00 N ATOM 1378 CA VAL A 93 0.161 2.691 4.797 1.00 0.00 C ATOM 1379 C VAL A 93 -0.119 3.959 5.597 1.00 0.00 C ATOM 1380 O VAL A 93 -1.240 4.468 5.599 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.388 2.867 3.369 1.00 0.00 C ATOM 1382 CG1 VAL A 93 0.136 4.153 2.749 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.029 1.665 2.509 1.00 0.00 C ATOM 0 H VAL A 93 -1.390 1.631 5.728 1.00 0.00 H new ATOM 0 HA VAL A 93 1.237 2.526 4.746 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.475 2.935 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.263 4.260 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.178 5.003 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.225 4.119 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.425 1.806 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.055 1.562 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.460 0.764 2.945 1.00 0.00 H new ATOM 1393 N CYS A 94 0.906 4.462 6.275 1.00 0.00 N ATOM 1394 CA CYS A 94 0.770 5.671 7.080 1.00 0.00 C ATOM 1395 C CYS A 94 1.904 6.649 6.788 1.00 0.00 C ATOM 1396 O CYS A 94 3.039 6.242 6.539 1.00 0.00 O ATOM 1397 CB CYS A 94 0.755 5.319 8.568 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.478 4.077 9.021 1.00 0.00 S ATOM 0 H CYS A 94 1.840 4.052 6.284 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.174 6.148 6.817 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.742 4.956 8.854 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.569 6.226 9.143 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.411 3.845 10.298 1.00 0.00 H new ATOM 1404 N ILE A 95 1.588 7.939 6.819 1.00 0.00 N ATOM 1405 CA ILE A 95 2.579 8.975 6.557 1.00 0.00 C ATOM 1406 C ILE A 95 2.755 9.886 7.767 1.00 0.00 C ATOM 1407 O ILE A 95 1.794 10.480 8.256 1.00 0.00 O ATOM 1408 CB ILE A 95 2.192 9.830 5.336 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.187 8.974 4.068 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.148 11.004 5.186 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.435 9.605 2.916 1.00 0.00 C ATOM 0 H ILE A 95 0.653 8.292 7.023 1.00 0.00 H new ATOM 0 HA ILE A 95 3.520 8.466 6.349 1.00 0.00 H new ATOM 0 HB ILE A 95 1.187 10.223 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.216 8.788 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.742 8.005 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.861 11.598 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.106 11.624 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.163 10.631 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.473 8.943 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.396 9.766 3.204 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.894 10.561 2.662 1.00 0.00 H new ATOM 1423 N LYS A 96 3.991 9.995 8.244 1.00 0.00 N ATOM 1424 CA LYS A 96 4.295 10.837 9.395 1.00 0.00 C ATOM 1425 C LYS A 96 3.503 10.391 10.620 1.00 0.00 C ATOM 1426 O LYS A 96 2.931 11.215 11.333 1.00 0.00 O ATOM 1427 CB LYS A 96 3.985 12.301 9.078 1.00 0.00 C ATOM 1428 CG LYS A 96 4.975 12.939 8.118 1.00 0.00 C ATOM 1429 CD LYS A 96 4.676 14.414 7.908 1.00 0.00 C ATOM 1430 CE LYS A 96 3.737 14.630 6.730 1.00 0.00 C ATOM 1431 NZ LYS A 96 2.310 14.460 7.121 1.00 0.00 N ATOM 0 H LYS A 96 4.798 9.511 7.851 1.00 0.00 H new ATOM 0 HA LYS A 96 5.358 10.737 9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.984 12.368 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.974 12.871 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.987 12.824 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.941 12.420 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.229 14.828 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.607 14.954 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.886 15.631 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.983 13.925 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.727 15.161 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.992 13.502 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.213 14.597 8.147 1.00 0.00 H new ATOM 1445 N GLU A 97 3.475 9.084 10.858 1.00 0.00 N ATOM 1446 CA GLU A 97 2.752 8.531 11.998 1.00 0.00 C ATOM 1447 C GLU A 97 1.260 8.831 11.893 1.00 0.00 C ATOM 1448 O GLU A 97 0.612 9.158 12.887 1.00 0.00 O ATOM 1449 CB GLU A 97 3.308 9.098 13.306 1.00 0.00 C ATOM 1450 CG GLU A 97 4.807 8.910 13.462 1.00 0.00 C ATOM 1451 CD GLU A 97 5.320 9.403 14.801 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.094 8.710 15.815 1.00 0.00 O ATOM 1453 OE2 GLU A 97 5.948 10.482 14.836 1.00 0.00 O ATOM 0 H GLU A 97 3.944 8.388 10.278 1.00 0.00 H new ATOM 0 HA GLU A 97 2.888 7.450 11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.076 10.162 13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.801 8.620 14.144 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.051 7.853 13.350 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.321 9.442 12.662 1.00 0.00 H new ATOM 1460 N GLN A 98 0.723 8.719 10.683 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.693 8.980 10.448 1.00 0.00 C ATOM 1462 C GLN A 98 -1.230 8.100 9.325 1.00 0.00 C ATOM 1463 O GLN A 98 -0.651 8.039 8.239 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.911 10.454 10.106 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.681 11.392 11.281 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.895 12.848 10.916 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -2.025 13.337 10.901 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.192 13.549 10.618 1.00 0.00 N ATOM 0 H GLN A 98 1.246 8.449 9.850 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.237 8.742 11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.241 10.733 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.929 10.587 9.740 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.355 11.122 12.094 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.335 11.260 11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.109 13.103 10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.110 14.533 10.364 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.340 7.419 9.591 1.00 0.00 N ATOM 1478 CA HIS A 99 -2.955 6.541 8.602 1.00 0.00 C ATOM 1479 C HIS A 99 -3.705 7.352 7.549 1.00 0.00 C ATOM 1480 O HIS A 99 -4.563 8.172 7.877 1.00 0.00 O ATOM 1481 CB HIS A 99 -3.910 5.561 9.282 1.00 0.00 C ATOM 1482 CG HIS A 99 -5.224 6.170 9.663 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -6.377 5.992 8.928 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.565 6.958 10.710 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -7.370 6.646 9.505 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -6.903 7.240 10.588 1.00 0.00 N ATOM 0 H HIS A 99 -2.832 7.458 10.484 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.162 5.980 8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.090 4.719 8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.431 5.162 10.176 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.452 5.442 8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.907 7.301 11.495 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.390 6.688 9.151 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.375 7.118 6.283 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.017 7.826 5.182 1.00 0.00 C ATOM 1497 C VAL A 100 -5.355 7.189 4.825 1.00 0.00 C ATOM 1498 O VAL A 100 -5.764 6.200 5.433 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.120 7.847 3.929 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.730 8.356 4.277 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.050 6.463 3.302 1.00 0.00 C ATOM 0 H VAL A 100 -2.667 6.443 5.994 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.183 8.850 5.518 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.558 8.529 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.110 8.364 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.802 9.367 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.279 7.702 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.413 6.496 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.636 5.758 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.052 6.142 3.015 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.031 7.761 3.834 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.324 7.248 3.396 1.00 0.00 C ATOM 1513 C GLN A 101 -7.210 5.796 2.947 1.00 0.00 C ATOM 1514 O GLN A 101 -6.124 5.322 2.612 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.877 8.105 2.256 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.192 7.593 1.692 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.696 8.430 0.533 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -9.585 9.657 0.544 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.253 7.771 -0.476 1.00 0.00 N ATOM 0 H GLN A 101 -5.705 8.579 3.319 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.010 7.295 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.018 9.125 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.140 8.148 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.064 6.562 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.943 7.584 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.324 6.754 -0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.610 8.282 -1.284 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.338 5.092 2.942 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.342 3.700 2.532 1.00 0.00 C ATOM 1530 C GLY A 102 -7.094 2.961 2.975 1.00 0.00 C ATOM 1531 O GLY A 102 -6.452 2.280 2.177 1.00 0.00 O ATOM 0 H GLY A 102 -9.249 5.461 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.220 3.205 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.427 3.644 1.447 1.00 0.00 H new ATOM 1535 N SER A 103 -6.750 3.097 4.252 1.00 0.00 N ATOM 1536 CA SER A 103 -5.568 2.442 4.798 1.00 0.00 C ATOM 1537 C SER A 103 -5.601 2.445 6.324 1.00 0.00 C ATOM 1538 O SER A 103 -5.882 3.460 6.962 1.00 0.00 O ATOM 1539 CB SER A 103 -4.298 3.137 4.303 1.00 0.00 C ATOM 1540 OG SER A 103 -3.218 2.924 5.196 1.00 0.00 O ATOM 0 H SER A 103 -7.273 3.655 4.927 1.00 0.00 H new ATOM 0 HA SER A 103 -5.565 1.408 4.454 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.036 2.761 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.482 4.206 4.199 1.00 0.00 H new ATOM 0 HG SER A 103 -2.723 3.761 5.316 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.307 1.282 6.924 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.971 0.068 6.175 1.00 0.00 C ATOM 1548 C PRO A 104 -6.173 -0.506 5.433 1.00 0.00 C ATOM 1549 O PRO A 104 -7.303 -0.056 5.619 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.501 -0.901 7.263 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.175 -0.431 8.505 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.280 1.064 8.380 1.00 0.00 C ATOM 0 HA PRO A 104 -4.225 0.258 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.779 -1.928 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.416 -0.881 7.369 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.161 -0.884 8.609 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.602 -0.709 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.181 1.445 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.433 1.567 8.846 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.921 -1.503 4.591 1.00 0.00 N ATOM 1561 CA PHE A 105 -6.983 -2.139 3.819 1.00 0.00 C ATOM 1562 C PHE A 105 -6.703 -3.627 3.632 1.00 0.00 C ATOM 1563 O PHE A 105 -5.549 -4.057 3.619 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.129 -1.460 2.456 1.00 0.00 C ATOM 1565 CG PHE A 105 -5.868 -1.476 1.641 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -4.891 -0.511 1.832 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.658 -2.455 0.683 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -3.730 -0.523 1.083 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.499 -2.472 -0.069 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.533 -1.505 0.132 1.00 0.00 C ATOM 0 H PHE A 105 -4.991 -1.888 4.426 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.916 -2.030 4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -7.921 -1.956 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.443 -0.427 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.039 0.259 2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.409 -3.214 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.977 0.235 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.348 -3.240 -0.813 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.626 -1.517 -0.453 1.00 0.00 H new ATOM 1580 N THR A 106 -7.767 -4.410 3.487 1.00 0.00 N ATOM 1581 CA THR A 106 -7.637 -5.850 3.302 1.00 0.00 C ATOM 1582 C THR A 106 -7.335 -6.192 1.848 1.00 0.00 C ATOM 1583 O THR A 106 -7.677 -5.438 0.938 1.00 0.00 O ATOM 1584 CB THR A 106 -8.917 -6.590 3.736 1.00 0.00 C ATOM 1585 OG1 THR A 106 -10.070 -5.800 3.423 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.890 -6.888 5.228 1.00 0.00 C ATOM 0 H THR A 106 -8.729 -4.071 3.494 1.00 0.00 H new ATOM 0 HA THR A 106 -6.807 -6.176 3.929 1.00 0.00 H new ATOM 0 HB THR A 106 -8.966 -7.534 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.879 -6.278 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.804 -7.411 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.028 -7.514 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.819 -5.953 5.784 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.691 -7.336 1.635 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.344 -7.780 0.291 1.00 0.00 C ATOM 1596 C VAL A 107 -6.452 -9.295 0.167 1.00 0.00 C ATOM 1597 O VAL A 107 -5.748 -10.038 0.852 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.917 -7.344 -0.093 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.412 -8.155 -1.276 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.880 -5.855 -0.402 1.00 0.00 C ATOM 0 H VAL A 107 -6.399 -7.972 2.377 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.055 -7.312 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.257 -7.532 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.403 -7.833 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.400 -9.213 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.071 -8.001 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.865 -5.564 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.552 -5.639 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.197 -5.293 0.476 1.00 0.00 H new ATOM 1610 N THR A 108 -7.339 -9.750 -0.713 1.00 0.00 N ATOM 1611 CA THR A 108 -7.540 -11.178 -0.927 1.00 0.00 C ATOM 1612 C THR A 108 -6.497 -11.742 -1.885 1.00 0.00 C ATOM 1613 O THR A 108 -6.439 -11.356 -3.052 1.00 0.00 O ATOM 1614 CB THR A 108 -8.945 -11.470 -1.485 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.939 -10.852 -0.659 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.199 -12.968 -1.558 1.00 0.00 C ATOM 0 H THR A 108 -7.930 -9.150 -1.289 1.00 0.00 H new ATOM 0 HA THR A 108 -7.436 -11.661 0.044 1.00 0.00 H new ATOM 0 HB THR A 108 -9.003 -11.059 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.830 -11.041 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.198 -13.149 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.459 -13.431 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.122 -13.399 -0.560 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.676 -12.660 -1.385 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.636 -13.280 -2.197 1.00 0.00 C ATOM 1626 C VAL A 109 -4.982 -14.729 -2.521 1.00 0.00 C ATOM 1627 O VAL A 109 -4.961 -15.593 -1.645 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.269 -13.236 -1.489 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.217 -13.962 -2.313 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.852 -11.797 -1.226 1.00 0.00 C ATOM 0 H VAL A 109 -5.711 -12.991 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.575 -12.708 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.360 -13.745 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.258 -13.920 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.513 -15.003 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.125 -13.484 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.884 -11.784 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.778 -11.261 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.595 -11.313 -0.592 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.299 -14.987 -3.786 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.651 -16.332 -4.226 1.00 0.00 C ATOM 1642 C ARG A 110 -4.473 -17.286 -4.050 1.00 0.00 C ATOM 1643 O ARG A 110 -3.375 -16.871 -3.682 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.092 -16.313 -5.690 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.206 -15.320 -5.978 1.00 0.00 C ATOM 1646 CD ARG A 110 -7.943 -15.665 -7.263 1.00 0.00 C ATOM 1647 NE ARG A 110 -7.227 -15.199 -8.447 1.00 0.00 N ATOM 1648 CZ ARG A 110 -7.770 -15.140 -9.658 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -9.028 -15.515 -9.843 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -7.054 -14.704 -10.687 1.00 0.00 N ATOM 0 H ARG A 110 -5.319 -14.283 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.478 -16.685 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.233 -16.074 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.425 -17.312 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.910 -15.310 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.789 -14.316 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.080 -16.745 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -8.937 -15.219 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.257 -14.903 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.582 -15.850 -9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.442 -15.469 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.086 -14.414 -10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.472 -14.659 -11.616 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.711 -18.566 -4.316 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.671 -19.580 -4.186 1.00 0.00 C ATOM 1666 C ARG A 111 -3.102 -19.953 -5.552 1.00 0.00 C ATOM 1667 O ARG A 111 -3.846 -20.230 -6.492 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.228 -20.827 -3.496 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.273 -21.563 -4.318 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.152 -22.443 -3.444 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.508 -23.715 -3.126 1.00 0.00 N ATOM 1672 CZ ARG A 111 -6.086 -24.673 -2.409 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -7.314 -24.504 -1.940 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.435 -25.802 -2.162 1.00 0.00 N ATOM 0 H ARG A 111 -5.615 -18.926 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.868 -19.165 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.406 -21.508 -3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.667 -20.538 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -5.893 -20.841 -4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.779 -22.176 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.389 -21.915 -2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.097 -22.632 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.563 -23.877 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.817 -23.637 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.756 -25.241 -1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.490 -25.935 -2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.879 -26.537 -1.612 1.00 0.00 H new ATOM 1688 N LYS A 112 -1.777 -19.956 -5.653 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.106 -20.296 -6.902 1.00 0.00 C ATOM 1690 C LYS A 112 -1.418 -21.730 -7.315 1.00 0.00 C ATOM 1691 O LYS A 112 -1.414 -22.641 -6.486 1.00 0.00 O ATOM 1692 CB LYS A 112 0.407 -20.112 -6.759 1.00 0.00 C ATOM 1693 CG LYS A 112 1.171 -20.325 -8.054 1.00 0.00 C ATOM 1694 CD LYS A 112 2.447 -19.500 -8.090 1.00 0.00 C ATOM 1695 CE LYS A 112 3.151 -19.622 -9.433 1.00 0.00 C ATOM 1696 NZ LYS A 112 2.574 -18.696 -10.447 1.00 0.00 N ATOM 0 H LYS A 112 -1.147 -19.727 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.475 -19.625 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.609 -19.107 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.780 -20.809 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.416 -21.381 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.538 -20.055 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.211 -18.454 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 112 3.117 -19.829 -7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.212 -19.408 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.073 -20.648 -9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.080 -18.809 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.567 -18.917 -10.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.671 -17.715 -10.116 1.00 0.00 H new ATOM 1710 N HIS A 113 -1.686 -21.926 -8.603 1.00 0.00 N ATOM 1711 CA HIS A 113 -1.998 -23.251 -9.126 1.00 0.00 C ATOM 1712 C HIS A 113 -0.733 -24.093 -9.263 1.00 0.00 C ATOM 1713 O HIS A 113 -0.797 -25.321 -9.325 1.00 0.00 O ATOM 1714 CB HIS A 113 -2.698 -23.136 -10.480 1.00 0.00 C ATOM 1715 CG HIS A 113 -1.754 -22.953 -11.629 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -1.886 -23.623 -12.826 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -0.659 -22.167 -11.758 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -0.912 -23.260 -13.642 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -0.154 -22.376 -13.018 1.00 0.00 N ATOM 0 H HIS A 113 -1.693 -21.184 -9.303 1.00 0.00 H new ATOM 0 HA HIS A 113 -2.667 -23.745 -8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -3.294 -24.033 -10.649 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.390 -22.294 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.258 -21.500 -11.009 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -0.761 -23.624 -14.648 1.00 0.00 H new ATOM 0 HE2 HIS A 113 0.672 -21.922 -13.408 1.00 0.00 H new TER 1728 HIS A 113