USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=30 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 94 CYS SG : rot 160:sc= -3.23! USER MOD Set 1.2: A 99 HIS : no HD1:sc= -3.64! K(o=-6.9!,f=-1.2) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0904 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.318 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 150:sc= -0.0273 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 64:sc= -0.0307 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 22 HIS : no HD1:sc=-0.00273 X(o=-0.0027,f=-0.0027) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 130:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -157:sc= -1.42 (180deg=-2.19) USER MOD Single : A 50 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.19) USER MOD Single : A 52 GLN : amide:sc=-0.00679 X(o=-0.0068,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0727) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) 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 K(o=0,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0407) USER MOD Single : A 76 THR OG1 : rot 29:sc= 0.201 USER MOD Single : A 77 TYR OH : rot 44:sc= 1.15 USER MOD Single : A 80 SER OG : rot 180:sc= -0.982 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 9:sc= 1.22 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -151:sc= -0.029 (180deg=-0.889) USER MOD Single : A 98 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.72) USER MOD Single : A 101 GLN : amide:sc= -4.78! C(o=-4.8!,f=-8.3!) USER MOD Single : A 103 SER OG : rot 9:sc= -0.497 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.601) USER MOD Single : A 113 HIS : no HD1:sc= -1.94! K(o=-1.9!,f=0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.174 25.926 -9.676 1.00 0.00 N ATOM 2 CA GLY A 1 8.087 25.950 -8.716 1.00 0.00 C ATOM 3 C GLY A 1 6.997 24.950 -9.049 1.00 0.00 C ATOM 4 O GLY A 1 7.124 24.176 -9.997 1.00 0.00 O ATOM 0 H1 GLY A 1 10.052 25.635 -9.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.952 25.250 -10.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.299 26.875 -10.083 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.480 25.737 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.659 26.952 -8.682 1.00 0.00 H new ATOM 8 N SER A 2 5.923 24.966 -8.266 1.00 0.00 N ATOM 9 CA SER A 2 4.808 24.050 -8.479 1.00 0.00 C ATOM 10 C SER A 2 3.502 24.658 -7.977 1.00 0.00 C ATOM 11 O SER A 2 3.506 25.574 -7.155 1.00 0.00 O ATOM 12 CB SER A 2 5.071 22.720 -7.771 1.00 0.00 C ATOM 13 OG SER A 2 5.851 21.857 -8.579 1.00 0.00 O ATOM 0 H SER A 2 5.801 25.603 -7.479 1.00 0.00 H new ATOM 0 HA SER A 2 4.716 23.871 -9.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.585 22.902 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.123 22.239 -7.530 1.00 0.00 H new ATOM 0 HG SER A 2 6.382 22.389 -9.208 1.00 0.00 H new ATOM 19 N SER A 3 2.385 24.140 -8.478 1.00 0.00 N ATOM 20 CA SER A 3 1.070 24.633 -8.085 1.00 0.00 C ATOM 21 C SER A 3 0.519 23.831 -6.910 1.00 0.00 C ATOM 22 O SER A 3 0.993 22.735 -6.615 1.00 0.00 O ATOM 23 CB SER A 3 0.101 24.562 -9.266 1.00 0.00 C ATOM 24 OG SER A 3 -0.249 23.220 -9.559 1.00 0.00 O ATOM 0 H SER A 3 2.364 23.379 -9.157 1.00 0.00 H new ATOM 0 HA SER A 3 1.176 25.673 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.798 25.134 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.557 25.022 -10.143 1.00 0.00 H new ATOM 0 HG SER A 3 -0.871 23.202 -10.316 1.00 0.00 H new ATOM 30 N GLY A 4 -0.488 24.387 -6.243 1.00 0.00 N ATOM 31 CA GLY A 4 -1.089 23.711 -5.108 1.00 0.00 C ATOM 32 C GLY A 4 -0.235 23.804 -3.859 1.00 0.00 C ATOM 33 O GLY A 4 0.310 24.863 -3.549 1.00 0.00 O ATOM 0 H GLY A 4 -0.898 25.293 -6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.069 24.145 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.250 22.662 -5.357 1.00 0.00 H new ATOM 37 N SER A 5 -0.118 22.693 -3.139 1.00 0.00 N ATOM 38 CA SER A 5 0.671 22.655 -1.914 1.00 0.00 C ATOM 39 C SER A 5 0.509 23.950 -1.123 1.00 0.00 C ATOM 40 O SER A 5 1.491 24.548 -0.683 1.00 0.00 O ATOM 41 CB SER A 5 2.148 22.424 -2.240 1.00 0.00 C ATOM 42 OG SER A 5 2.675 23.495 -3.004 1.00 0.00 O ATOM 0 H SER A 5 -0.560 21.807 -3.383 1.00 0.00 H new ATOM 0 HA SER A 5 0.308 21.829 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.716 22.319 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.260 21.490 -2.791 1.00 0.00 H new ATOM 0 HG SER A 5 3.629 23.599 -2.807 1.00 0.00 H new ATOM 48 N SER A 6 -0.737 24.376 -0.946 1.00 0.00 N ATOM 49 CA SER A 6 -1.029 25.602 -0.212 1.00 0.00 C ATOM 50 C SER A 6 -0.176 25.695 1.049 1.00 0.00 C ATOM 51 O SER A 6 0.332 26.763 1.391 1.00 0.00 O ATOM 52 CB SER A 6 -2.513 25.660 0.156 1.00 0.00 C ATOM 53 OG SER A 6 -3.275 26.239 -0.889 1.00 0.00 O ATOM 0 H SER A 6 -1.561 23.891 -1.301 1.00 0.00 H new ATOM 0 HA SER A 6 -0.789 26.448 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.879 24.654 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.642 26.241 1.069 1.00 0.00 H new ATOM 0 HG SER A 6 -4.220 26.263 -0.630 1.00 0.00 H new ATOM 59 N GLY A 7 -0.024 24.569 1.738 1.00 0.00 N ATOM 60 CA GLY A 7 0.767 24.544 2.955 1.00 0.00 C ATOM 61 C GLY A 7 1.730 23.374 2.997 1.00 0.00 C ATOM 62 O GLY A 7 2.913 23.525 2.696 1.00 0.00 O ATOM 0 H GLY A 7 -0.434 23.673 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.327 25.475 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.101 24.494 3.816 1.00 0.00 H new ATOM 66 N GLU A 8 1.221 22.204 3.373 1.00 0.00 N ATOM 67 CA GLU A 8 2.046 21.005 3.456 1.00 0.00 C ATOM 68 C GLU A 8 1.249 19.768 3.050 1.00 0.00 C ATOM 69 O GLU A 8 0.089 19.866 2.651 1.00 0.00 O ATOM 70 CB GLU A 8 2.592 20.831 4.874 1.00 0.00 C ATOM 71 CG GLU A 8 1.511 20.606 5.919 1.00 0.00 C ATOM 72 CD GLU A 8 2.017 19.840 7.126 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.693 18.808 6.932 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.737 20.272 8.263 1.00 0.00 O ATOM 0 H GLU A 8 0.243 22.062 3.624 1.00 0.00 H new ATOM 0 HA GLU A 8 2.881 21.121 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.281 19.986 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.168 21.716 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.118 21.570 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.683 20.060 5.468 1.00 0.00 H new ATOM 81 N VAL A 9 1.881 18.603 3.155 1.00 0.00 N ATOM 82 CA VAL A 9 1.233 17.346 2.801 1.00 0.00 C ATOM 83 C VAL A 9 0.359 16.838 3.942 1.00 0.00 C ATOM 84 O VAL A 9 0.712 16.970 5.114 1.00 0.00 O ATOM 85 CB VAL A 9 2.267 16.264 2.438 1.00 0.00 C ATOM 86 CG1 VAL A 9 3.151 15.948 3.635 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.570 15.009 1.934 1.00 0.00 C ATOM 0 H VAL A 9 2.842 18.504 3.483 1.00 0.00 H new ATOM 0 HA VAL A 9 0.608 17.546 1.931 1.00 0.00 H new ATOM 0 HB VAL A 9 2.902 16.646 1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.876 15.181 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.678 16.850 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.534 15.586 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.316 14.255 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.911 14.622 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.984 15.250 1.047 1.00 0.00 H new ATOM 97 N ASP A 10 -0.782 16.256 3.591 1.00 0.00 N ATOM 98 CA ASP A 10 -1.707 15.725 4.586 1.00 0.00 C ATOM 99 C ASP A 10 -2.042 14.266 4.293 1.00 0.00 C ATOM 100 O ASP A 10 -2.398 13.898 3.173 1.00 0.00 O ATOM 101 CB ASP A 10 -2.988 16.559 4.619 1.00 0.00 C ATOM 102 CG ASP A 10 -3.675 16.513 5.970 1.00 0.00 C ATOM 103 OD1 ASP A 10 -3.201 17.198 6.900 1.00 0.00 O ATOM 104 OD2 ASP A 10 -4.687 15.792 6.096 1.00 0.00 O ATOM 0 H ASP A 10 -1.089 16.140 2.625 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.223 15.779 5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.751 17.593 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.674 16.196 3.853 1.00 0.00 H new ATOM 109 N PRO A 11 -1.926 13.413 5.322 1.00 0.00 N ATOM 110 CA PRO A 11 -2.211 11.981 5.199 1.00 0.00 C ATOM 111 C PRO A 11 -3.698 11.700 5.007 1.00 0.00 C ATOM 112 O PRO A 11 -4.079 10.815 4.242 1.00 0.00 O ATOM 113 CB PRO A 11 -1.726 11.406 6.532 1.00 0.00 C ATOM 114 CG PRO A 11 -1.807 12.547 7.487 1.00 0.00 C ATOM 115 CD PRO A 11 -1.507 13.782 6.684 1.00 0.00 C ATOM 0 HA PRO A 11 -1.724 11.542 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.351 10.574 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.707 11.027 6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.797 12.607 7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.091 12.427 8.300 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.059 14.646 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.449 14.039 6.723 1.00 0.00 H new ATOM 123 N ALA A 12 -4.534 12.460 5.707 1.00 0.00 N ATOM 124 CA ALA A 12 -5.979 12.295 5.612 1.00 0.00 C ATOM 125 C ALA A 12 -6.472 12.581 4.198 1.00 0.00 C ATOM 126 O ALA A 12 -7.552 12.141 3.805 1.00 0.00 O ATOM 127 CB ALA A 12 -6.681 13.202 6.612 1.00 0.00 C ATOM 0 H ALA A 12 -4.235 13.196 6.346 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.218 11.258 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.760 13.068 6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.360 12.948 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.427 14.241 6.402 1.00 0.00 H new ATOM 133 N LYS A 13 -5.675 13.323 3.437 1.00 0.00 N ATOM 134 CA LYS A 13 -6.029 13.669 2.065 1.00 0.00 C ATOM 135 C LYS A 13 -5.417 12.679 1.079 1.00 0.00 C ATOM 136 O LYS A 13 -5.976 12.426 0.012 1.00 0.00 O ATOM 137 CB LYS A 13 -5.560 15.088 1.738 1.00 0.00 C ATOM 138 CG LYS A 13 -5.975 16.120 2.772 1.00 0.00 C ATOM 139 CD LYS A 13 -7.325 16.733 2.437 1.00 0.00 C ATOM 140 CE LYS A 13 -8.465 15.947 3.068 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.793 16.532 2.733 1.00 0.00 N ATOM 0 H LYS A 13 -4.778 13.697 3.747 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.114 13.622 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.474 15.091 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.959 15.379 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.020 15.653 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.221 16.905 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.355 17.765 2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.455 16.760 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.427 14.913 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.338 15.929 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.544 15.969 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.839 17.511 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.925 16.526 1.701 1.00 0.00 H new ATOM 155 N CYS A 14 -4.267 12.123 1.444 1.00 0.00 N ATOM 156 CA CYS A 14 -3.579 11.160 0.591 1.00 0.00 C ATOM 157 C CYS A 14 -4.525 10.044 0.159 1.00 0.00 C ATOM 158 O CYS A 14 -5.545 9.797 0.801 1.00 0.00 O ATOM 159 CB CYS A 14 -2.374 10.569 1.323 1.00 0.00 C ATOM 160 SG CYS A 14 -0.941 11.670 1.396 1.00 0.00 S ATOM 0 H CYS A 14 -3.792 12.322 2.324 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.232 11.683 -0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.671 10.309 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.082 9.642 0.830 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.241 12.727 2.090 1.00 0.00 H new ATOM 166 N VAL A 15 -4.179 9.373 -0.936 1.00 0.00 N ATOM 167 CA VAL A 15 -4.997 8.284 -1.455 1.00 0.00 C ATOM 168 C VAL A 15 -4.132 7.206 -2.099 1.00 0.00 C ATOM 169 O VAL A 15 -2.909 7.334 -2.167 1.00 0.00 O ATOM 170 CB VAL A 15 -6.018 8.792 -2.489 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.314 9.201 -1.804 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.438 9.952 -3.285 1.00 0.00 C ATOM 0 H VAL A 15 -3.338 9.565 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.532 7.858 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.241 7.981 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.024 9.557 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.737 8.342 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.111 9.997 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.173 10.299 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.185 10.768 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.540 9.622 -3.807 1.00 0.00 H new ATOM 182 N LEU A 16 -4.774 6.143 -2.571 1.00 0.00 N ATOM 183 CA LEU A 16 -4.064 5.042 -3.211 1.00 0.00 C ATOM 184 C LEU A 16 -4.634 4.759 -4.598 1.00 0.00 C ATOM 185 O LEU A 16 -5.836 4.891 -4.823 1.00 0.00 O ATOM 186 CB LEU A 16 -4.149 3.783 -2.346 1.00 0.00 C ATOM 187 CG LEU A 16 -3.682 3.931 -0.898 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.442 2.976 0.009 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.183 3.690 -0.794 1.00 0.00 C ATOM 0 H LEU A 16 -5.785 6.021 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.019 5.331 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.184 3.440 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.556 3.000 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.889 4.950 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.096 3.096 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.508 3.196 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.268 1.950 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.868 3.799 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.952 2.682 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.654 4.415 -1.412 1.00 0.00 H new ATOM 201 N GLN A 17 -3.762 4.367 -5.521 1.00 0.00 N ATOM 202 CA GLN A 17 -4.179 4.065 -6.885 1.00 0.00 C ATOM 203 C GLN A 17 -3.998 2.582 -7.193 1.00 0.00 C ATOM 204 O GLN A 17 -3.358 1.854 -6.436 1.00 0.00 O ATOM 205 CB GLN A 17 -3.382 4.906 -7.884 1.00 0.00 C ATOM 206 CG GLN A 17 -3.958 6.295 -8.105 1.00 0.00 C ATOM 207 CD GLN A 17 -4.985 6.330 -9.220 1.00 0.00 C ATOM 208 OE1 GLN A 17 -6.057 5.734 -9.111 1.00 0.00 O ATOM 209 NE2 GLN A 17 -4.661 7.030 -10.301 1.00 0.00 N ATOM 0 H GLN A 17 -2.763 4.251 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.237 4.311 -6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.355 4.999 -7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.343 4.381 -8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.418 6.645 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.149 6.987 -8.339 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.761 7.508 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.312 7.089 -11.084 1.00 0.00 H new ATOM 218 N GLY A 18 -4.568 2.141 -8.311 1.00 0.00 N ATOM 219 CA GLY A 18 -4.458 0.747 -8.699 1.00 0.00 C ATOM 220 C GLY A 18 -5.810 0.072 -8.823 1.00 0.00 C ATOM 221 O GLY A 18 -6.705 0.308 -8.013 1.00 0.00 O ATOM 0 H GLY A 18 -5.103 2.724 -8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.932 0.678 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.855 0.215 -7.963 1.00 0.00 H new ATOM 225 N GLU A 19 -5.958 -0.769 -9.842 1.00 0.00 N ATOM 226 CA GLU A 19 -7.212 -1.478 -10.071 1.00 0.00 C ATOM 227 C GLU A 19 -7.297 -2.728 -9.200 1.00 0.00 C ATOM 228 O GLU A 19 -6.294 -3.401 -8.962 1.00 0.00 O ATOM 229 CB GLU A 19 -7.345 -1.861 -11.546 1.00 0.00 C ATOM 230 CG GLU A 19 -8.013 -0.792 -12.395 1.00 0.00 C ATOM 231 CD GLU A 19 -9.476 -0.598 -12.043 1.00 0.00 C ATOM 232 OE1 GLU A 19 -10.206 -1.608 -11.961 1.00 0.00 O ATOM 233 OE2 GLU A 19 -9.889 0.564 -11.850 1.00 0.00 O ATOM 0 H GLU A 19 -5.226 -0.976 -10.521 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.031 -0.811 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.354 -2.067 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.919 -2.785 -11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.484 0.152 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.929 -1.064 -13.447 1.00 0.00 H new ATOM 240 N ASP A 20 -8.500 -3.031 -8.727 1.00 0.00 N ATOM 241 CA ASP A 20 -8.718 -4.200 -7.882 1.00 0.00 C ATOM 242 C ASP A 20 -7.637 -4.305 -6.810 1.00 0.00 C ATOM 243 O ASP A 20 -7.080 -5.378 -6.578 1.00 0.00 O ATOM 244 CB ASP A 20 -8.736 -5.473 -8.731 1.00 0.00 C ATOM 245 CG ASP A 20 -7.381 -5.787 -9.333 1.00 0.00 C ATOM 246 OD1 ASP A 20 -7.107 -5.312 -10.455 1.00 0.00 O ATOM 247 OD2 ASP A 20 -6.595 -6.508 -8.683 1.00 0.00 O ATOM 0 H ASP A 20 -9.340 -2.484 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.684 -4.087 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.060 -6.312 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.469 -5.363 -9.530 1.00 0.00 H new ATOM 252 N LEU A 21 -7.345 -3.183 -6.161 1.00 0.00 N ATOM 253 CA LEU A 21 -6.330 -3.148 -5.114 1.00 0.00 C ATOM 254 C LEU A 21 -6.647 -4.155 -4.013 1.00 0.00 C ATOM 255 O LEU A 21 -5.771 -4.892 -3.560 1.00 0.00 O ATOM 256 CB LEU A 21 -6.230 -1.741 -4.521 1.00 0.00 C ATOM 257 CG LEU A 21 -5.268 -0.783 -5.225 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.702 0.659 -5.013 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.846 -0.992 -4.726 1.00 0.00 C ATOM 0 H LEU A 21 -7.796 -2.286 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.373 -3.417 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.224 -1.295 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.925 -1.829 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.291 -0.995 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.006 1.327 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.703 0.801 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.708 0.884 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.176 -0.302 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.806 -0.807 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.536 -2.017 -4.929 1.00 0.00 H new ATOM 271 N HIS A 22 -7.907 -4.182 -3.589 1.00 0.00 N ATOM 272 CA HIS A 22 -8.341 -5.101 -2.543 1.00 0.00 C ATOM 273 C HIS A 22 -8.095 -6.549 -2.955 1.00 0.00 C ATOM 274 O HIS A 22 -8.082 -7.450 -2.116 1.00 0.00 O ATOM 275 CB HIS A 22 -9.824 -4.892 -2.234 1.00 0.00 C ATOM 276 CG HIS A 22 -10.160 -3.489 -1.832 1.00 0.00 C ATOM 277 ND1 HIS A 22 -9.671 -2.897 -0.687 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.940 -2.559 -2.431 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.137 -1.664 -0.598 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.909 -1.434 -1.644 1.00 0.00 N ATOM 0 H HIS A 22 -8.644 -3.579 -3.953 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.757 -4.893 -1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.411 -5.160 -3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.119 -5.571 -1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -11.485 -2.679 -3.356 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.923 -0.963 0.195 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -11.402 -0.562 -1.836 1.00 0.00 H new ATOM 289 N ARG A 23 -7.901 -6.765 -4.252 1.00 0.00 N ATOM 290 CA ARG A 23 -7.657 -8.104 -4.776 1.00 0.00 C ATOM 291 C ARG A 23 -6.189 -8.281 -5.152 1.00 0.00 C ATOM 292 O ARG A 23 -5.570 -7.381 -5.718 1.00 0.00 O ATOM 293 CB ARG A 23 -8.543 -8.367 -5.995 1.00 0.00 C ATOM 294 CG ARG A 23 -9.857 -9.051 -5.657 1.00 0.00 C ATOM 295 CD ARG A 23 -10.735 -8.170 -4.783 1.00 0.00 C ATOM 296 NE ARG A 23 -11.895 -8.892 -4.267 1.00 0.00 N ATOM 297 CZ ARG A 23 -12.912 -8.303 -3.648 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.912 -6.989 -3.468 1.00 0.00 N ATOM 299 NH2 ARG A 23 -13.932 -9.028 -3.207 1.00 0.00 N ATOM 0 H ARG A 23 -7.908 -6.030 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.903 -8.823 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.754 -7.420 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.994 -8.985 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.388 -9.297 -6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.657 -9.991 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.147 -7.786 -3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.072 -7.308 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.926 -9.904 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.130 -6.428 -3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.694 -6.539 -2.992 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.936 -10.039 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.712 -8.574 -2.732 1.00 0.00 H new ATOM 313 N ALA A 24 -5.638 -9.448 -4.834 1.00 0.00 N ATOM 314 CA ALA A 24 -4.244 -9.744 -5.140 1.00 0.00 C ATOM 315 C ALA A 24 -4.073 -11.198 -5.568 1.00 0.00 C ATOM 316 O ALA A 24 -4.975 -12.017 -5.392 1.00 0.00 O ATOM 317 CB ALA A 24 -3.364 -9.438 -3.938 1.00 0.00 C ATOM 0 H ALA A 24 -6.136 -10.204 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.937 -9.110 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.326 -9.664 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.455 -8.383 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.680 -10.048 -3.091 1.00 0.00 H new ATOM 323 N ARG A 25 -2.910 -11.512 -6.129 1.00 0.00 N ATOM 324 CA ARG A 25 -2.622 -12.867 -6.583 1.00 0.00 C ATOM 325 C ARG A 25 -1.449 -13.462 -5.808 1.00 0.00 C ATOM 326 O ARG A 25 -0.599 -12.735 -5.296 1.00 0.00 O ATOM 327 CB ARG A 25 -2.311 -12.870 -8.081 1.00 0.00 C ATOM 328 CG ARG A 25 -2.292 -14.260 -8.696 1.00 0.00 C ATOM 329 CD ARG A 25 -1.539 -14.274 -10.017 1.00 0.00 C ATOM 330 NE ARG A 25 -2.273 -13.581 -11.073 1.00 0.00 N ATOM 331 CZ ARG A 25 -1.709 -13.137 -12.190 1.00 0.00 C ATOM 332 NH1 ARG A 25 -0.412 -13.314 -12.398 1.00 0.00 N ATOM 333 NH2 ARG A 25 -2.444 -12.516 -13.104 1.00 0.00 N ATOM 0 H ARG A 25 -2.152 -10.846 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.505 -13.480 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.053 -12.263 -8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.343 -12.397 -8.243 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.825 -14.960 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.314 -14.603 -8.855 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.565 -13.804 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.356 -15.305 -10.319 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.274 -13.430 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.156 -13.793 -11.699 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.018 -12.972 -13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.443 -12.380 -12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.010 -12.175 -13.962 1.00 0.00 H new ATOM 347 N GLU A 26 -1.413 -14.788 -5.727 1.00 0.00 N ATOM 348 CA GLU A 26 -0.346 -15.480 -5.013 1.00 0.00 C ATOM 349 C GLU A 26 1.002 -15.244 -5.689 1.00 0.00 C ATOM 350 O GLU A 26 1.085 -15.122 -6.911 1.00 0.00 O ATOM 351 CB GLU A 26 -0.638 -16.980 -4.944 1.00 0.00 C ATOM 352 CG GLU A 26 0.479 -17.789 -4.304 1.00 0.00 C ATOM 353 CD GLU A 26 0.543 -19.211 -4.827 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.525 -19.849 -4.940 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.659 -19.685 -5.123 1.00 0.00 O ATOM 0 H GLU A 26 -2.109 -15.404 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.301 -15.079 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.558 -17.137 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.814 -17.354 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.433 -17.295 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.335 -17.809 -3.224 1.00 0.00 H new ATOM 362 N LYS A 27 2.057 -15.180 -4.884 1.00 0.00 N ATOM 363 CA LYS A 27 3.403 -14.960 -5.401 1.00 0.00 C ATOM 364 C LYS A 27 3.374 -14.041 -6.618 1.00 0.00 C ATOM 365 O LYS A 27 4.041 -14.302 -7.619 1.00 0.00 O ATOM 366 CB LYS A 27 4.054 -16.294 -5.771 1.00 0.00 C ATOM 367 CG LYS A 27 4.311 -17.198 -4.577 1.00 0.00 C ATOM 368 CD LYS A 27 5.682 -16.946 -3.973 1.00 0.00 C ATOM 369 CE LYS A 27 6.762 -17.744 -4.687 1.00 0.00 C ATOM 370 NZ LYS A 27 6.979 -19.075 -4.054 1.00 0.00 N ATOM 0 H LYS A 27 2.006 -15.277 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 27 3.992 -14.480 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.413 -16.817 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.999 -16.099 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.543 -17.032 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.234 -18.241 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.916 -15.883 -4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.670 -17.213 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.482 -17.880 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.695 -17.181 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.722 -19.588 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.271 -18.945 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.095 -19.623 -4.085 1.00 0.00 H new ATOM 384 N GLN A 28 2.599 -12.966 -6.524 1.00 0.00 N ATOM 385 CA GLN A 28 2.485 -12.008 -7.618 1.00 0.00 C ATOM 386 C GLN A 28 2.956 -10.625 -7.182 1.00 0.00 C ATOM 387 O GLN A 28 2.704 -10.197 -6.055 1.00 0.00 O ATOM 388 CB GLN A 28 1.039 -11.935 -8.111 1.00 0.00 C ATOM 389 CG GLN A 28 0.773 -10.766 -9.045 1.00 0.00 C ATOM 390 CD GLN A 28 1.371 -10.971 -10.423 1.00 0.00 C ATOM 391 OE1 GLN A 28 2.165 -11.888 -10.637 1.00 0.00 O ATOM 392 NE2 GLN A 28 0.992 -10.118 -11.367 1.00 0.00 N ATOM 0 H GLN A 28 2.041 -12.736 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 28 3.123 -12.349 -8.433 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.792 -12.864 -8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.374 -11.861 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.303 -10.618 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.183 -9.856 -8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.332 -9.373 -11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.361 -10.208 -12.314 1.00 0.00 H new ATOM 401 N THR A 29 3.643 -9.928 -8.082 1.00 0.00 N ATOM 402 CA THR A 29 4.151 -8.594 -7.790 1.00 0.00 C ATOM 403 C THR A 29 3.067 -7.539 -7.979 1.00 0.00 C ATOM 404 O THR A 29 2.826 -7.076 -9.093 1.00 0.00 O ATOM 405 CB THR A 29 5.354 -8.243 -8.686 1.00 0.00 C ATOM 406 OG1 THR A 29 6.298 -9.320 -8.683 1.00 0.00 O ATOM 407 CG2 THR A 29 6.032 -6.967 -8.207 1.00 0.00 C ATOM 0 H THR A 29 3.860 -10.266 -9.020 1.00 0.00 H new ATOM 0 HA THR A 29 4.472 -8.599 -6.748 1.00 0.00 H new ATOM 0 HB THR A 29 4.989 -8.083 -9.700 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.059 -9.090 -9.256 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.878 -6.739 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.319 -6.143 -8.238 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.384 -7.104 -7.185 1.00 0.00 H new ATOM 415 N ALA A 30 2.417 -7.163 -6.883 1.00 0.00 N ATOM 416 CA ALA A 30 1.360 -6.161 -6.927 1.00 0.00 C ATOM 417 C ALA A 30 1.863 -4.810 -6.430 1.00 0.00 C ATOM 418 O ALA A 30 2.245 -4.669 -5.268 1.00 0.00 O ATOM 419 CB ALA A 30 0.164 -6.617 -6.104 1.00 0.00 C ATOM 0 H ALA A 30 2.604 -7.538 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 30 1.048 -6.044 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.617 -5.858 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.219 -7.555 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.470 -6.765 -5.068 1.00 0.00 H new ATOM 425 N SER A 31 1.860 -3.820 -7.317 1.00 0.00 N ATOM 426 CA SER A 31 2.321 -2.481 -6.968 1.00 0.00 C ATOM 427 C SER A 31 1.228 -1.447 -7.221 1.00 0.00 C ATOM 428 O SER A 31 0.319 -1.671 -8.021 1.00 0.00 O ATOM 429 CB SER A 31 3.573 -2.124 -7.772 1.00 0.00 C ATOM 430 OG SER A 31 3.353 -2.298 -9.161 1.00 0.00 O ATOM 0 H SER A 31 1.544 -3.920 -8.282 1.00 0.00 H new ATOM 0 HA SER A 31 2.566 -2.473 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.855 -1.090 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.406 -2.750 -7.451 1.00 0.00 H new ATOM 0 HG SER A 31 4.167 -2.062 -9.653 1.00 0.00 H new ATOM 436 N PHE A 32 1.324 -0.314 -6.534 1.00 0.00 N ATOM 437 CA PHE A 32 0.343 0.755 -6.683 1.00 0.00 C ATOM 438 C PHE A 32 1.006 2.124 -6.553 1.00 0.00 C ATOM 439 O PHE A 32 2.159 2.231 -6.133 1.00 0.00 O ATOM 440 CB PHE A 32 -0.763 0.611 -5.636 1.00 0.00 C ATOM 441 CG PHE A 32 -0.247 0.346 -4.251 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.263 -0.897 -3.913 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.271 1.341 -3.286 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.740 -1.144 -2.639 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.204 1.100 -2.011 1.00 0.00 C ATOM 446 CZ PHE A 32 0.709 -0.144 -1.686 1.00 0.00 C ATOM 0 H PHE A 32 2.071 -0.112 -5.869 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.095 0.675 -7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.361 1.522 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.426 -0.202 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.288 -1.683 -4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.665 2.315 -3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.136 -2.117 -2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.180 1.884 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.079 -0.335 -0.689 1.00 0.00 H new ATOM 456 N THR A 33 0.270 3.169 -6.917 1.00 0.00 N ATOM 457 CA THR A 33 0.785 4.530 -6.843 1.00 0.00 C ATOM 458 C THR A 33 0.124 5.308 -5.711 1.00 0.00 C ATOM 459 O THR A 33 -1.103 5.381 -5.628 1.00 0.00 O ATOM 460 CB THR A 33 0.565 5.286 -8.167 1.00 0.00 C ATOM 461 OG1 THR A 33 1.392 4.727 -9.194 1.00 0.00 O ATOM 462 CG2 THR A 33 0.880 6.765 -8.004 1.00 0.00 C ATOM 0 H THR A 33 -0.686 3.098 -7.266 1.00 0.00 H new ATOM 0 HA THR A 33 1.855 4.453 -6.650 1.00 0.00 H new ATOM 0 HB THR A 33 -0.483 5.183 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.245 5.212 -10.033 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.717 7.278 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.229 7.194 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.920 6.884 -7.701 1.00 0.00 H new ATOM 470 N LEU A 34 0.944 5.888 -4.841 1.00 0.00 N ATOM 471 CA LEU A 34 0.438 6.662 -3.713 1.00 0.00 C ATOM 472 C LEU A 34 0.414 8.151 -4.042 1.00 0.00 C ATOM 473 O LEU A 34 1.459 8.797 -4.123 1.00 0.00 O ATOM 474 CB LEU A 34 1.300 6.416 -2.473 1.00 0.00 C ATOM 475 CG LEU A 34 1.157 7.436 -1.343 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.130 7.198 -0.569 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.360 7.373 -0.413 1.00 0.00 C ATOM 0 H LEU A 34 1.961 5.837 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.582 6.337 -3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.059 5.429 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.345 6.389 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 34 1.114 8.433 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.215 7.933 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.982 7.294 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.117 6.196 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.241 8.106 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.434 6.375 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.267 7.593 -0.976 1.00 0.00 H new ATOM 489 N LEU A 35 -0.786 8.691 -4.228 1.00 0.00 N ATOM 490 CA LEU A 35 -0.948 10.106 -4.545 1.00 0.00 C ATOM 491 C LEU A 35 -0.922 10.954 -3.278 1.00 0.00 C ATOM 492 O LEU A 35 -1.705 10.732 -2.354 1.00 0.00 O ATOM 493 CB LEU A 35 -2.259 10.333 -5.299 1.00 0.00 C ATOM 494 CG LEU A 35 -2.412 9.581 -6.622 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.848 9.659 -7.117 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.455 10.139 -7.665 1.00 0.00 C ATOM 0 H LEU A 35 -1.661 8.170 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.115 10.409 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.084 10.050 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.361 11.400 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.164 8.533 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.938 9.118 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.513 9.212 -6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.124 10.702 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.577 9.593 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.672 11.194 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.429 10.030 -7.313 1.00 0.00 H new ATOM 508 N CYS A 36 -0.020 11.928 -3.243 1.00 0.00 N ATOM 509 CA CYS A 36 0.107 12.812 -2.090 1.00 0.00 C ATOM 510 C CYS A 36 -0.547 14.162 -2.365 1.00 0.00 C ATOM 511 O CYS A 36 -0.231 14.829 -3.351 1.00 0.00 O ATOM 512 CB CYS A 36 1.581 13.010 -1.732 1.00 0.00 C ATOM 513 SG CYS A 36 2.508 11.469 -1.546 1.00 0.00 S ATOM 0 H CYS A 36 0.634 12.126 -4.000 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.404 12.345 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.054 13.615 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.645 13.575 -0.802 1.00 0.00 H new ATOM 0 HG CYS A 36 3.601 11.533 -2.247 1.00 0.00 H new ATOM 519 N LYS A 37 -1.463 14.560 -1.489 1.00 0.00 N ATOM 520 CA LYS A 37 -2.164 15.830 -1.636 1.00 0.00 C ATOM 521 C LYS A 37 -1.865 16.756 -0.461 1.00 0.00 C ATOM 522 O LYS A 37 -1.200 16.363 0.497 1.00 0.00 O ATOM 523 CB LYS A 37 -3.673 15.595 -1.742 1.00 0.00 C ATOM 524 CG LYS A 37 -4.108 15.039 -3.087 1.00 0.00 C ATOM 525 CD LYS A 37 -4.095 13.520 -3.093 1.00 0.00 C ATOM 526 CE LYS A 37 -4.172 12.968 -4.509 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.467 13.302 -5.164 1.00 0.00 N ATOM 0 H LYS A 37 -1.738 14.020 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.811 16.306 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.981 14.905 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.193 16.536 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.111 15.396 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.445 15.413 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.186 13.161 -2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.936 13.145 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.351 13.371 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.046 11.886 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.481 12.909 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.250 12.896 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.576 14.335 -5.211 1.00 0.00 H new ATOM 541 N ASP A 38 -2.361 17.985 -0.542 1.00 0.00 N ATOM 542 CA ASP A 38 -2.148 18.967 0.516 1.00 0.00 C ATOM 543 C ASP A 38 -3.324 18.980 1.488 1.00 0.00 C ATOM 544 O ASP A 38 -4.292 18.241 1.317 1.00 0.00 O ATOM 545 CB ASP A 38 -1.950 20.360 -0.084 1.00 0.00 C ATOM 546 CG ASP A 38 -3.237 20.941 -0.635 1.00 0.00 C ATOM 547 OD1 ASP A 38 -4.260 20.224 -0.637 1.00 0.00 O ATOM 548 OD2 ASP A 38 -3.222 22.114 -1.064 1.00 0.00 O ATOM 0 H ASP A 38 -2.913 18.326 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.249 18.686 1.064 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.551 21.028 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.208 20.307 -0.881 1.00 0.00 H new ATOM 553 N ALA A 39 -3.230 19.825 2.510 1.00 0.00 N ATOM 554 CA ALA A 39 -4.286 19.935 3.509 1.00 0.00 C ATOM 555 C ALA A 39 -5.632 20.228 2.855 1.00 0.00 C ATOM 556 O ALA A 39 -6.683 19.897 3.403 1.00 0.00 O ATOM 557 CB ALA A 39 -3.942 21.017 4.523 1.00 0.00 C ATOM 0 H ALA A 39 -2.434 20.443 2.668 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.364 18.979 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.739 21.089 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.006 20.765 5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.835 21.974 4.012 1.00 0.00 H new ATOM 563 N ALA A 40 -5.592 20.852 1.683 1.00 0.00 N ATOM 564 CA ALA A 40 -6.809 21.189 0.954 1.00 0.00 C ATOM 565 C ALA A 40 -7.345 19.981 0.194 1.00 0.00 C ATOM 566 O ALA A 40 -8.522 19.930 -0.159 1.00 0.00 O ATOM 567 CB ALA A 40 -6.549 22.344 -0.001 1.00 0.00 C ATOM 0 H ALA A 40 -4.730 21.135 1.217 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.565 21.494 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.466 22.585 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.220 23.216 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.775 22.060 -0.714 1.00 0.00 H new ATOM 573 N GLY A 41 -6.472 19.009 -0.057 1.00 0.00 N ATOM 574 CA GLY A 41 -6.877 17.815 -0.775 1.00 0.00 C ATOM 575 C GLY A 41 -6.626 17.922 -2.266 1.00 0.00 C ATOM 576 O GLY A 41 -7.298 17.268 -3.063 1.00 0.00 O ATOM 0 H GLY A 41 -5.492 19.028 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.336 16.956 -0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.937 17.632 -0.600 1.00 0.00 H new ATOM 580 N GLU A 42 -5.658 18.751 -2.644 1.00 0.00 N ATOM 581 CA GLU A 42 -5.323 18.943 -4.050 1.00 0.00 C ATOM 582 C GLU A 42 -3.876 18.543 -4.324 1.00 0.00 C ATOM 583 O GLU A 42 -3.041 18.535 -3.418 1.00 0.00 O ATOM 584 CB GLU A 42 -5.546 20.401 -4.456 1.00 0.00 C ATOM 585 CG GLU A 42 -4.539 21.363 -3.847 1.00 0.00 C ATOM 586 CD GLU A 42 -5.109 22.754 -3.648 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.270 22.863 -3.202 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.393 23.735 -3.939 1.00 0.00 O ATOM 0 H GLU A 42 -5.092 19.300 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.977 18.304 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.499 20.478 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.550 20.703 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.202 20.971 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.662 21.422 -4.492 1.00 0.00 H new ATOM 595 N ILE A 43 -3.587 18.211 -5.578 1.00 0.00 N ATOM 596 CA ILE A 43 -2.242 17.811 -5.971 1.00 0.00 C ATOM 597 C ILE A 43 -1.209 18.838 -5.520 1.00 0.00 C ATOM 598 O ILE A 43 -1.406 20.042 -5.676 1.00 0.00 O ATOM 599 CB ILE A 43 -2.133 17.626 -7.496 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.128 16.568 -7.976 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.713 17.240 -7.883 1.00 0.00 C ATOM 602 CD1 ILE A 43 -2.831 15.179 -7.456 1.00 0.00 C ATOM 0 H ILE A 43 -4.266 18.211 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.041 16.858 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.376 18.572 -7.980 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.132 16.857 -7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.126 16.547 -9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.652 17.113 -8.964 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.025 18.025 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.444 16.305 -7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.577 14.481 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.841 14.870 -7.790 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.862 15.184 -6.366 1.00 0.00 H new ATOM 614 N MET A 44 -0.106 18.352 -4.960 1.00 0.00 N ATOM 615 CA MET A 44 0.961 19.228 -4.488 1.00 0.00 C ATOM 616 C MET A 44 2.182 19.135 -5.398 1.00 0.00 C ATOM 617 O MET A 44 3.027 20.029 -5.411 1.00 0.00 O ATOM 618 CB MET A 44 1.350 18.866 -3.054 1.00 0.00 C ATOM 619 CG MET A 44 1.728 17.404 -2.877 1.00 0.00 C ATOM 620 SD MET A 44 1.996 16.960 -1.150 1.00 0.00 S ATOM 621 CE MET A 44 2.834 18.425 -0.550 1.00 0.00 C ATOM 0 H MET A 44 0.073 17.357 -4.822 1.00 0.00 H new ATOM 0 HA MET A 44 0.592 20.253 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.189 19.490 -2.746 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.518 19.100 -2.390 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.939 16.776 -3.291 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.634 17.195 -3.446 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.416 18.174 0.337 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.499 18.807 -1.325 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.097 19.187 -0.296 1.00 0.00 H new ATOM 631 N GLY A 45 2.268 18.047 -6.157 1.00 0.00 N ATOM 632 CA GLY A 45 3.390 17.859 -7.059 1.00 0.00 C ATOM 633 C GLY A 45 4.726 18.056 -6.371 1.00 0.00 C ATOM 634 O GLY A 45 5.642 18.652 -6.938 1.00 0.00 O ATOM 0 H GLY A 45 1.581 17.293 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.347 16.856 -7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.306 18.560 -7.890 1.00 0.00 H new ATOM 638 N ARG A 46 4.838 17.557 -5.144 1.00 0.00 N ATOM 639 CA ARG A 46 6.071 17.684 -4.377 1.00 0.00 C ATOM 640 C ARG A 46 6.357 16.408 -3.591 1.00 0.00 C ATOM 641 O ARG A 46 5.482 15.559 -3.426 1.00 0.00 O ATOM 642 CB ARG A 46 5.981 18.875 -3.421 1.00 0.00 C ATOM 643 CG ARG A 46 6.001 20.223 -4.123 1.00 0.00 C ATOM 644 CD ARG A 46 5.417 21.318 -3.243 1.00 0.00 C ATOM 645 NE ARG A 46 5.842 22.648 -3.671 1.00 0.00 N ATOM 646 CZ ARG A 46 7.091 23.089 -3.571 1.00 0.00 C ATOM 647 NH1 ARG A 46 8.033 22.309 -3.061 1.00 0.00 N ATOM 648 NH2 ARG A 46 7.399 24.312 -3.983 1.00 0.00 N ATOM 0 H ARG A 46 4.090 17.061 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 46 6.890 17.849 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.064 18.793 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.812 18.829 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.026 20.479 -4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.434 20.159 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.329 21.260 -3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.723 21.155 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 46 5.141 23.273 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.800 21.368 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.991 22.650 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.676 24.915 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.358 24.650 -3.906 1.00 0.00 H new ATOM 662 N GLY A 47 7.590 16.279 -3.110 1.00 0.00 N ATOM 663 CA GLY A 47 7.969 15.103 -2.348 1.00 0.00 C ATOM 664 C GLY A 47 8.626 15.454 -1.028 1.00 0.00 C ATOM 665 O GLY A 47 8.609 16.610 -0.606 1.00 0.00 O ATOM 0 H GLY A 47 8.333 16.967 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.084 14.495 -2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.653 14.495 -2.940 1.00 0.00 H new ATOM 669 N GLY A 48 9.206 14.454 -0.372 1.00 0.00 N ATOM 670 CA GLY A 48 9.861 14.683 0.902 1.00 0.00 C ATOM 671 C GLY A 48 8.934 14.454 2.080 1.00 0.00 C ATOM 672 O GLY A 48 8.626 15.384 2.826 1.00 0.00 O ATOM 0 H GLY A 48 9.234 13.489 -0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.723 14.021 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.239 15.705 0.934 1.00 0.00 H new ATOM 676 N ASP A 49 8.488 13.215 2.247 1.00 0.00 N ATOM 677 CA ASP A 49 7.590 12.866 3.342 1.00 0.00 C ATOM 678 C ASP A 49 7.968 11.518 3.947 1.00 0.00 C ATOM 679 O ASP A 49 8.799 10.793 3.401 1.00 0.00 O ATOM 680 CB ASP A 49 6.142 12.831 2.851 1.00 0.00 C ATOM 681 CG ASP A 49 5.734 11.461 2.346 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.492 10.567 3.184 1.00 0.00 O ATOM 683 OD2 ASP A 49 5.658 11.283 1.113 1.00 0.00 O ATOM 0 H ASP A 49 8.733 12.434 1.638 1.00 0.00 H new ATOM 0 HA ASP A 49 7.685 13.629 4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.479 13.128 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.015 13.562 2.053 1.00 0.00 H new ATOM 688 N ASN A 50 7.351 11.188 5.077 1.00 0.00 N ATOM 689 CA ASN A 50 7.624 9.927 5.757 1.00 0.00 C ATOM 690 C ASN A 50 6.588 8.871 5.382 1.00 0.00 C ATOM 691 O ASN A 50 5.492 8.836 5.940 1.00 0.00 O ATOM 692 CB ASN A 50 7.634 10.132 7.273 1.00 0.00 C ATOM 693 CG ASN A 50 8.244 8.957 8.012 1.00 0.00 C ATOM 694 OD1 ASN A 50 9.299 9.081 8.635 1.00 0.00 O ATOM 695 ND2 ASN A 50 7.582 7.808 7.945 1.00 0.00 N ATOM 0 H ASN A 50 6.659 11.776 5.541 1.00 0.00 H new ATOM 0 HA ASN A 50 8.606 9.577 5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.193 11.037 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.613 10.287 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.944 6.982 8.422 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.711 7.751 7.417 1.00 0.00 H new ATOM 702 N VAL A 51 6.944 8.012 4.432 1.00 0.00 N ATOM 703 CA VAL A 51 6.047 6.954 3.983 1.00 0.00 C ATOM 704 C VAL A 51 6.379 5.628 4.658 1.00 0.00 C ATOM 705 O VAL A 51 7.531 5.194 4.661 1.00 0.00 O ATOM 706 CB VAL A 51 6.114 6.771 2.455 1.00 0.00 C ATOM 707 CG1 VAL A 51 5.159 5.677 2.005 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.807 8.082 1.748 1.00 0.00 C ATOM 0 H VAL A 51 7.847 8.028 3.959 1.00 0.00 H new ATOM 0 HA VAL A 51 5.037 7.257 4.261 1.00 0.00 H new ATOM 0 HB VAL A 51 7.126 6.468 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.221 5.563 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.430 4.737 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.140 5.946 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.859 7.934 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.806 8.417 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.536 8.836 2.046 1.00 0.00 H new ATOM 718 N GLN A 52 5.363 4.989 5.228 1.00 0.00 N ATOM 719 CA GLN A 52 5.548 3.712 5.907 1.00 0.00 C ATOM 720 C GLN A 52 4.683 2.628 5.272 1.00 0.00 C ATOM 721 O GLN A 52 3.466 2.777 5.158 1.00 0.00 O ATOM 722 CB GLN A 52 5.210 3.846 7.393 1.00 0.00 C ATOM 723 CG GLN A 52 6.169 4.744 8.156 1.00 0.00 C ATOM 724 CD GLN A 52 6.232 4.409 9.633 1.00 0.00 C ATOM 725 OE1 GLN A 52 5.748 5.166 10.475 1.00 0.00 O ATOM 726 NE2 GLN A 52 6.830 3.268 9.957 1.00 0.00 N ATOM 0 H GLN A 52 4.403 5.334 5.233 1.00 0.00 H new ATOM 0 HA GLN A 52 6.594 3.423 5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.199 4.240 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.212 2.856 7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.166 4.655 7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.862 5.783 8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.218 2.670 9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.902 2.990 10.936 1.00 0.00 H new ATOM 735 N VAL A 53 5.319 1.536 4.860 1.00 0.00 N ATOM 736 CA VAL A 53 4.608 0.426 4.237 1.00 0.00 C ATOM 737 C VAL A 53 4.953 -0.896 4.912 1.00 0.00 C ATOM 738 O VAL A 53 6.115 -1.165 5.217 1.00 0.00 O ATOM 739 CB VAL A 53 4.934 0.323 2.735 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.098 -0.766 2.081 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.711 1.662 2.049 1.00 0.00 C ATOM 0 H VAL A 53 6.326 1.396 4.947 1.00 0.00 H new ATOM 0 HA VAL A 53 3.543 0.625 4.358 1.00 0.00 H new ATOM 0 HB VAL A 53 5.985 0.055 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.342 -0.824 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.312 -1.724 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.040 -0.532 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.946 1.571 0.989 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.669 1.961 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.357 2.414 2.501 1.00 0.00 H new ATOM 751 N ALA A 54 3.936 -1.720 5.143 1.00 0.00 N ATOM 752 CA ALA A 54 4.132 -3.016 5.781 1.00 0.00 C ATOM 753 C ALA A 54 2.938 -3.933 5.538 1.00 0.00 C ATOM 754 O ALA A 54 1.797 -3.575 5.832 1.00 0.00 O ATOM 755 CB ALA A 54 4.369 -2.839 7.273 1.00 0.00 C ATOM 0 H ALA A 54 2.968 -1.513 4.898 1.00 0.00 H new ATOM 0 HA ALA A 54 5.012 -3.483 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.514 -3.815 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.257 -2.227 7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.506 -2.348 7.723 1.00 0.00 H new ATOM 761 N VAL A 55 3.208 -5.118 4.999 1.00 0.00 N ATOM 762 CA VAL A 55 2.155 -6.087 4.717 1.00 0.00 C ATOM 763 C VAL A 55 2.271 -7.304 5.628 1.00 0.00 C ATOM 764 O VAL A 55 3.284 -8.003 5.622 1.00 0.00 O ATOM 765 CB VAL A 55 2.199 -6.551 3.249 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.241 -7.712 3.027 1.00 0.00 C ATOM 767 CG2 VAL A 55 1.875 -5.395 2.315 1.00 0.00 C ATOM 0 H VAL A 55 4.146 -5.430 4.749 1.00 0.00 H new ATOM 0 HA VAL A 55 1.205 -5.587 4.904 1.00 0.00 H new ATOM 0 HB VAL A 55 3.208 -6.896 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.286 -8.026 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.524 -8.546 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.226 -7.397 3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.911 -5.741 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.877 -5.017 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.605 -4.598 2.456 1.00 0.00 H new ATOM 777 N VAL A 56 1.225 -7.552 6.410 1.00 0.00 N ATOM 778 CA VAL A 56 1.207 -8.686 7.326 1.00 0.00 C ATOM 779 C VAL A 56 -0.033 -9.547 7.111 1.00 0.00 C ATOM 780 O VAL A 56 -1.159 -9.053 7.054 1.00 0.00 O ATOM 781 CB VAL A 56 1.250 -8.223 8.794 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.563 -9.392 9.714 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.268 -7.107 8.971 1.00 0.00 C ATOM 0 H VAL A 56 0.379 -6.983 6.427 1.00 0.00 H new ATOM 0 HA VAL A 56 2.097 -9.278 7.114 1.00 0.00 H new ATOM 0 HB VAL A 56 0.268 -7.834 9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.589 -9.045 10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.793 -10.156 9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.532 -9.815 9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.285 -6.792 10.014 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.256 -7.467 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.993 -6.261 8.341 1.00 0.00 H new ATOM 793 N PRO A 57 0.176 -10.866 6.990 1.00 0.00 N ATOM 794 CA PRO A 57 -0.913 -11.824 6.781 1.00 0.00 C ATOM 795 C PRO A 57 -1.795 -11.978 8.016 1.00 0.00 C ATOM 796 O PRO A 57 -1.298 -12.141 9.131 1.00 0.00 O ATOM 797 CB PRO A 57 -0.181 -13.134 6.481 1.00 0.00 C ATOM 798 CG PRO A 57 1.147 -12.985 7.139 1.00 0.00 C ATOM 799 CD PRO A 57 1.492 -11.524 7.049 1.00 0.00 C ATOM 0 HA PRO A 57 -1.588 -11.506 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.725 -13.991 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.076 -13.292 5.408 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.107 -13.313 8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.900 -13.595 6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.068 -11.193 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.090 -11.306 6.164 1.00 0.00 H new ATOM 807 N LYS A 58 -3.107 -11.925 7.811 1.00 0.00 N ATOM 808 CA LYS A 58 -4.059 -12.060 8.907 1.00 0.00 C ATOM 809 C LYS A 58 -3.897 -13.406 9.605 1.00 0.00 C ATOM 810 O LYS A 58 -4.284 -13.566 10.763 1.00 0.00 O ATOM 811 CB LYS A 58 -5.491 -11.911 8.387 1.00 0.00 C ATOM 812 CG LYS A 58 -6.524 -11.748 9.489 1.00 0.00 C ATOM 813 CD LYS A 58 -7.929 -12.018 8.979 1.00 0.00 C ATOM 814 CE LYS A 58 -8.578 -10.754 8.435 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.998 -9.832 9.527 1.00 0.00 N ATOM 0 H LYS A 58 -3.535 -11.789 6.895 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.858 -11.270 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.540 -11.047 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.745 -12.786 7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.295 -12.431 10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.470 -10.737 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.894 -12.776 8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.539 -12.423 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.878 -10.241 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.446 -11.022 7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.638 -9.108 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.491 -10.372 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.159 -9.372 9.935 1.00 0.00 H new ATOM 829 N ASP A 59 -3.323 -14.371 8.895 1.00 0.00 N ATOM 830 CA ASP A 59 -3.108 -15.703 9.448 1.00 0.00 C ATOM 831 C ASP A 59 -1.919 -15.709 10.403 1.00 0.00 C ATOM 832 O ASP A 59 -2.019 -16.185 11.534 1.00 0.00 O ATOM 833 CB ASP A 59 -2.880 -16.714 8.323 1.00 0.00 C ATOM 834 CG ASP A 59 -3.206 -18.133 8.746 1.00 0.00 C ATOM 835 OD1 ASP A 59 -4.328 -18.361 9.244 1.00 0.00 O ATOM 836 OD2 ASP A 59 -2.337 -19.016 8.580 1.00 0.00 O ATOM 0 H ASP A 59 -2.998 -14.256 7.935 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.000 -15.987 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.495 -16.443 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.841 -16.664 7.999 1.00 0.00 H new ATOM 841 N LYS A 60 -0.792 -15.179 9.940 1.00 0.00 N ATOM 842 CA LYS A 60 0.418 -15.123 10.752 1.00 0.00 C ATOM 843 C LYS A 60 0.731 -13.688 11.164 1.00 0.00 C ATOM 844 O LYS A 60 0.918 -12.815 10.316 1.00 0.00 O ATOM 845 CB LYS A 60 1.601 -15.714 9.983 1.00 0.00 C ATOM 846 CG LYS A 60 1.634 -17.233 9.989 1.00 0.00 C ATOM 847 CD LYS A 60 2.188 -17.773 11.296 1.00 0.00 C ATOM 848 CE LYS A 60 2.451 -19.269 11.215 1.00 0.00 C ATOM 849 NZ LYS A 60 1.198 -20.040 10.978 1.00 0.00 N ATOM 0 H LYS A 60 -0.691 -14.782 9.006 1.00 0.00 H new ATOM 0 HA LYS A 60 0.248 -15.712 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.564 -15.364 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.528 -15.337 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.627 -17.620 9.832 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.245 -17.588 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.114 -17.253 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.484 -17.570 12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.159 -19.470 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.916 -19.607 12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.411 -21.058 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.513 -19.828 11.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.795 -19.772 10.058 1.00 0.00 H new ATOM 863 N LYS A 61 0.788 -13.451 12.470 1.00 0.00 N ATOM 864 CA LYS A 61 1.082 -12.122 12.994 1.00 0.00 C ATOM 865 C LYS A 61 2.563 -11.793 12.845 1.00 0.00 C ATOM 866 O LYS A 61 2.941 -10.628 12.727 1.00 0.00 O ATOM 867 CB LYS A 61 0.674 -12.032 14.467 1.00 0.00 C ATOM 868 CG LYS A 61 1.404 -13.019 15.362 1.00 0.00 C ATOM 869 CD LYS A 61 0.666 -13.233 16.673 1.00 0.00 C ATOM 870 CE LYS A 61 0.960 -14.606 17.259 1.00 0.00 C ATOM 871 NZ LYS A 61 0.297 -14.798 18.579 1.00 0.00 N ATOM 0 H LYS A 61 0.635 -14.162 13.185 1.00 0.00 H new ATOM 0 HA LYS A 61 0.508 -11.396 12.418 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.863 -11.020 14.826 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.399 -12.205 14.549 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.511 -13.972 14.844 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.410 -12.652 15.565 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.957 -12.462 17.386 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.407 -13.128 16.510 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.621 -15.377 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.037 -14.730 17.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.521 -15.745 18.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.639 -14.078 19.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.733 -14.705 18.467 1.00 0.00 H new ATOM 885 N ASP A 62 3.398 -12.827 12.849 1.00 0.00 N ATOM 886 CA ASP A 62 4.838 -12.648 12.711 1.00 0.00 C ATOM 887 C ASP A 62 5.260 -12.745 11.248 1.00 0.00 C ATOM 888 O ASP A 62 5.746 -11.775 10.667 1.00 0.00 O ATOM 889 CB ASP A 62 5.586 -13.693 13.541 1.00 0.00 C ATOM 890 CG ASP A 62 5.130 -13.718 14.987 1.00 0.00 C ATOM 891 OD1 ASP A 62 5.704 -12.966 15.803 1.00 0.00 O ATOM 892 OD2 ASP A 62 4.199 -14.488 15.302 1.00 0.00 O ATOM 0 H ASP A 62 3.101 -13.798 12.946 1.00 0.00 H new ATOM 0 HA ASP A 62 5.092 -11.654 13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.437 -14.678 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.655 -13.485 13.504 1.00 0.00 H new ATOM 897 N SER A 63 5.073 -13.922 10.661 1.00 0.00 N ATOM 898 CA SER A 63 5.439 -14.148 9.267 1.00 0.00 C ATOM 899 C SER A 63 5.258 -12.875 8.445 1.00 0.00 C ATOM 900 O SER A 63 4.166 -12.560 7.973 1.00 0.00 O ATOM 901 CB SER A 63 4.595 -15.276 8.672 1.00 0.00 C ATOM 902 OG SER A 63 5.125 -15.711 7.432 1.00 0.00 O ATOM 0 H SER A 63 4.670 -14.734 11.128 1.00 0.00 H new ATOM 0 HA SER A 63 6.490 -14.435 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.558 -16.113 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.570 -14.932 8.532 1.00 0.00 H new ATOM 0 HG SER A 63 4.568 -16.433 7.074 1.00 0.00 H new ATOM 908 N PRO A 64 6.356 -12.124 8.270 1.00 0.00 N ATOM 909 CA PRO A 64 6.346 -10.874 7.505 1.00 0.00 C ATOM 910 C PRO A 64 6.150 -11.110 6.012 1.00 0.00 C ATOM 911 O PRO A 64 5.985 -12.246 5.569 1.00 0.00 O ATOM 912 CB PRO A 64 7.731 -10.281 7.776 1.00 0.00 C ATOM 913 CG PRO A 64 8.588 -11.455 8.104 1.00 0.00 C ATOM 914 CD PRO A 64 7.692 -12.438 8.805 1.00 0.00 C ATOM 0 HA PRO A 64 5.523 -10.222 7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.110 -9.745 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.702 -9.569 8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.015 -11.891 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.422 -11.163 8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.979 -13.467 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.730 -12.316 9.887 1.00 0.00 H new ATOM 922 N VAL A 65 6.169 -10.028 5.239 1.00 0.00 N ATOM 923 CA VAL A 65 5.995 -10.118 3.794 1.00 0.00 C ATOM 924 C VAL A 65 6.956 -9.185 3.066 1.00 0.00 C ATOM 925 O VAL A 65 7.090 -8.014 3.422 1.00 0.00 O ATOM 926 CB VAL A 65 4.551 -9.775 3.380 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.451 -9.621 1.870 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.587 -10.839 3.882 1.00 0.00 C ATOM 0 H VAL A 65 6.303 -9.080 5.589 1.00 0.00 H new ATOM 0 HA VAL A 65 6.211 -11.149 3.513 1.00 0.00 H new ATOM 0 HB VAL A 65 4.276 -8.824 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.424 -9.379 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.113 -8.820 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.744 -10.554 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.572 -10.581 3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.858 -11.805 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.640 -10.894 4.969 1.00 0.00 H new ATOM 938 N ARG A 66 7.622 -9.711 2.044 1.00 0.00 N ATOM 939 CA ARG A 66 8.572 -8.926 1.265 1.00 0.00 C ATOM 940 C ARG A 66 7.873 -7.761 0.569 1.00 0.00 C ATOM 941 O ARG A 66 6.913 -7.955 -0.178 1.00 0.00 O ATOM 942 CB ARG A 66 9.268 -9.809 0.228 1.00 0.00 C ATOM 943 CG ARG A 66 10.494 -10.529 0.767 1.00 0.00 C ATOM 944 CD ARG A 66 10.125 -11.868 1.388 1.00 0.00 C ATOM 945 NE ARG A 66 9.703 -11.728 2.779 1.00 0.00 N ATOM 946 CZ ARG A 66 10.551 -11.637 3.798 1.00 0.00 C ATOM 947 NH1 ARG A 66 11.858 -11.670 3.583 1.00 0.00 N ATOM 948 NH2 ARG A 66 10.090 -11.511 5.036 1.00 0.00 N ATOM 0 H ARG A 66 7.521 -10.678 1.736 1.00 0.00 H new ATOM 0 HA ARG A 66 9.319 -8.524 1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.558 -10.547 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.563 -9.194 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.210 -10.686 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.986 -9.904 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.323 -12.327 0.810 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.981 -12.541 1.335 1.00 0.00 H new ATOM 0 HE ARG A 66 8.703 -11.698 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.216 -11.766 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.506 -11.600 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.085 -11.484 5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.741 -11.441 5.818 1.00 0.00 H new ATOM 962 N THR A 67 8.360 -6.550 0.820 1.00 0.00 N ATOM 963 CA THR A 67 7.782 -5.354 0.220 1.00 0.00 C ATOM 964 C THR A 67 8.852 -4.507 -0.459 1.00 0.00 C ATOM 965 O THR A 67 10.047 -4.746 -0.288 1.00 0.00 O ATOM 966 CB THR A 67 7.053 -4.495 1.270 1.00 0.00 C ATOM 967 OG1 THR A 67 7.780 -4.507 2.503 1.00 0.00 O ATOM 968 CG2 THR A 67 5.640 -5.010 1.503 1.00 0.00 C ATOM 0 H THR A 67 9.154 -6.372 1.435 1.00 0.00 H new ATOM 0 HA THR A 67 7.062 -5.691 -0.526 1.00 0.00 H new ATOM 0 HB THR A 67 6.993 -3.474 0.894 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.311 -3.957 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.144 -4.388 2.248 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.080 -4.972 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.682 -6.039 1.859 1.00 0.00 H new ATOM 976 N MET A 68 8.415 -3.516 -1.230 1.00 0.00 N ATOM 977 CA MET A 68 9.338 -2.632 -1.933 1.00 0.00 C ATOM 978 C MET A 68 8.817 -1.199 -1.941 1.00 0.00 C ATOM 979 O MET A 68 7.608 -0.967 -1.956 1.00 0.00 O ATOM 980 CB MET A 68 9.550 -3.118 -3.368 1.00 0.00 C ATOM 981 CG MET A 68 10.920 -2.775 -3.930 1.00 0.00 C ATOM 982 SD MET A 68 10.960 -2.809 -5.732 1.00 0.00 S ATOM 983 CE MET A 68 12.569 -2.090 -6.049 1.00 0.00 C ATOM 0 H MET A 68 7.429 -3.305 -1.384 1.00 0.00 H new ATOM 0 HA MET A 68 10.292 -2.650 -1.406 1.00 0.00 H new ATOM 0 HB2 MET A 68 9.413 -4.199 -3.401 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.784 -2.680 -4.008 1.00 0.00 H new ATOM 0 HG2 MET A 68 11.213 -1.784 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.655 -3.480 -3.541 1.00 0.00 H new ATOM 0 HE1 MET A 68 12.741 -2.043 -7.124 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.607 -1.084 -5.631 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.340 -2.705 -5.585 1.00 0.00 H new ATOM 993 N VAL A 69 9.737 -0.239 -1.931 1.00 0.00 N ATOM 994 CA VAL A 69 9.370 1.172 -1.937 1.00 0.00 C ATOM 995 C VAL A 69 10.363 1.994 -2.752 1.00 0.00 C ATOM 996 O VAL A 69 11.546 2.060 -2.421 1.00 0.00 O ATOM 997 CB VAL A 69 9.300 1.741 -0.508 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.646 1.605 0.187 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.848 3.193 -0.534 1.00 0.00 C ATOM 0 H VAL A 69 10.742 -0.413 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 69 8.383 1.240 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 69 8.566 1.167 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.577 2.012 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.924 0.552 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.403 2.153 -0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.804 3.579 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.555 3.784 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.860 3.258 -0.989 1.00 0.00 H new ATOM 1009 N GLN A 70 9.872 2.619 -3.817 1.00 0.00 N ATOM 1010 CA GLN A 70 10.717 3.437 -4.679 1.00 0.00 C ATOM 1011 C GLN A 70 10.473 4.921 -4.430 1.00 0.00 C ATOM 1012 O GLN A 70 9.529 5.503 -4.963 1.00 0.00 O ATOM 1013 CB GLN A 70 10.456 3.104 -6.149 1.00 0.00 C ATOM 1014 CG GLN A 70 11.666 3.315 -7.045 1.00 0.00 C ATOM 1015 CD GLN A 70 11.415 2.883 -8.476 1.00 0.00 C ATOM 1016 OE1 GLN A 70 10.369 2.315 -8.791 1.00 0.00 O ATOM 1017 NE2 GLN A 70 12.376 3.151 -9.353 1.00 0.00 N ATOM 0 H GLN A 70 8.894 2.575 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 70 11.758 3.214 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.134 2.065 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.634 3.720 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.944 4.369 -7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.512 2.757 -6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.227 3.624 -9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.263 2.884 -10.331 1.00 0.00 H new ATOM 1026 N ASP A 71 11.331 5.528 -3.617 1.00 0.00 N ATOM 1027 CA ASP A 71 11.209 6.946 -3.297 1.00 0.00 C ATOM 1028 C ASP A 71 11.373 7.801 -4.550 1.00 0.00 C ATOM 1029 O ASP A 71 12.432 7.805 -5.177 1.00 0.00 O ATOM 1030 CB ASP A 71 12.251 7.346 -2.251 1.00 0.00 C ATOM 1031 CG ASP A 71 13.598 6.695 -2.497 1.00 0.00 C ATOM 1032 OD1 ASP A 71 14.087 6.759 -3.644 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.163 6.123 -1.542 1.00 0.00 O ATOM 0 H ASP A 71 12.118 5.060 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 71 10.213 7.118 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.368 8.430 -2.255 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.892 7.068 -1.260 1.00 0.00 H new ATOM 1038 N ASN A 72 10.317 8.525 -4.909 1.00 0.00 N ATOM 1039 CA ASN A 72 10.344 9.383 -6.088 1.00 0.00 C ATOM 1040 C ASN A 72 10.411 10.854 -5.688 1.00 0.00 C ATOM 1041 O ASN A 72 10.760 11.713 -6.498 1.00 0.00 O ATOM 1042 CB ASN A 72 9.107 9.134 -6.953 1.00 0.00 C ATOM 1043 CG ASN A 72 9.198 7.836 -7.732 1.00 0.00 C ATOM 1044 OD1 ASN A 72 9.906 7.749 -8.735 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.479 6.818 -7.271 1.00 0.00 N ATOM 0 H ASN A 72 9.433 8.534 -4.401 1.00 0.00 H new ATOM 0 HA ASN A 72 11.237 9.140 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.221 9.112 -6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.980 9.964 -7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.500 5.919 -7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.906 6.935 -6.435 1.00 0.00 H new ATOM 1052 N LYS A 73 10.075 11.137 -4.434 1.00 0.00 N ATOM 1053 CA LYS A 73 10.099 12.503 -3.925 1.00 0.00 C ATOM 1054 C LYS A 73 9.733 13.498 -5.021 1.00 0.00 C ATOM 1055 O LYS A 73 10.312 14.581 -5.107 1.00 0.00 O ATOM 1056 CB LYS A 73 11.482 12.835 -3.361 1.00 0.00 C ATOM 1057 CG LYS A 73 12.618 12.131 -4.083 1.00 0.00 C ATOM 1058 CD LYS A 73 12.744 10.681 -3.646 1.00 0.00 C ATOM 1059 CE LYS A 73 14.181 10.192 -3.743 1.00 0.00 C ATOM 1060 NZ LYS A 73 15.026 10.731 -2.642 1.00 0.00 N ATOM 0 H LYS A 73 9.783 10.438 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 73 9.360 12.580 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.639 13.912 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.510 12.563 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.448 12.174 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.554 12.654 -3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.392 10.577 -2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.103 10.056 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.197 9.103 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.602 10.490 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.934 10.224 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.199 11.744 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.536 10.602 -1.734 1.00 0.00 H new ATOM 1074 N ASP A 74 8.768 13.125 -5.855 1.00 0.00 N ATOM 1075 CA ASP A 74 8.323 13.987 -6.944 1.00 0.00 C ATOM 1076 C ASP A 74 6.827 14.267 -6.838 1.00 0.00 C ATOM 1077 O ASP A 74 6.315 15.202 -7.453 1.00 0.00 O ATOM 1078 CB ASP A 74 8.640 13.343 -8.294 1.00 0.00 C ATOM 1079 CG ASP A 74 8.253 14.228 -9.463 1.00 0.00 C ATOM 1080 OD1 ASP A 74 8.758 15.369 -9.536 1.00 0.00 O ATOM 1081 OD2 ASP A 74 7.446 13.781 -10.304 1.00 0.00 O ATOM 0 H ASP A 74 8.279 12.232 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 74 8.858 14.934 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.706 13.122 -8.347 1.00 0.00 H new ATOM 0 HB3 ASP A 74 8.113 12.392 -8.372 1.00 0.00 H new ATOM 1086 N GLY A 75 6.131 13.449 -6.055 1.00 0.00 N ATOM 1087 CA GLY A 75 4.700 13.624 -5.885 1.00 0.00 C ATOM 1088 C GLY A 75 3.961 12.304 -5.792 1.00 0.00 C ATOM 1089 O GLY A 75 2.913 12.213 -5.153 1.00 0.00 O ATOM 0 H GLY A 75 6.532 12.668 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.513 14.206 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.306 14.199 -6.723 1.00 0.00 H new ATOM 1093 N THR A 76 4.507 11.275 -6.435 1.00 0.00 N ATOM 1094 CA THR A 76 3.892 9.954 -6.425 1.00 0.00 C ATOM 1095 C THR A 76 4.916 8.873 -6.099 1.00 0.00 C ATOM 1096 O THR A 76 5.972 8.795 -6.728 1.00 0.00 O ATOM 1097 CB THR A 76 3.234 9.631 -7.780 1.00 0.00 C ATOM 1098 OG1 THR A 76 4.207 9.705 -8.827 1.00 0.00 O ATOM 1099 CG2 THR A 76 2.094 10.595 -8.071 1.00 0.00 C ATOM 0 H THR A 76 5.374 11.332 -6.969 1.00 0.00 H new ATOM 0 HA THR A 76 3.125 9.968 -5.651 1.00 0.00 H new ATOM 0 HB THR A 76 2.830 8.620 -7.731 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.091 9.483 -8.468 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.645 10.347 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.341 10.515 -7.287 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.478 11.614 -8.102 1.00 0.00 H new ATOM 1107 N TYR A 77 4.597 8.040 -5.115 1.00 0.00 N ATOM 1108 CA TYR A 77 5.491 6.964 -4.705 1.00 0.00 C ATOM 1109 C TYR A 77 5.141 5.663 -5.421 1.00 0.00 C ATOM 1110 O TYR A 77 4.032 5.499 -5.929 1.00 0.00 O ATOM 1111 CB TYR A 77 5.417 6.761 -3.191 1.00 0.00 C ATOM 1112 CG TYR A 77 6.094 7.857 -2.399 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.462 9.075 -2.180 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.366 7.675 -1.871 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.077 10.079 -1.458 1.00 0.00 C ATOM 1116 CE2 TYR A 77 7.988 8.674 -1.146 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.340 9.874 -0.943 1.00 0.00 C ATOM 1118 OH TYR A 77 7.956 10.871 -0.223 1.00 0.00 O ATOM 0 H TYR A 77 3.726 8.089 -4.586 1.00 0.00 H new ATOM 0 HA TYR A 77 6.508 7.246 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.371 6.701 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.876 5.805 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.473 9.239 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.877 6.737 -2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.572 11.020 -1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.976 8.515 -0.741 1.00 0.00 H new ATOM 0 HH TYR A 77 7.313 11.269 0.401 1.00 0.00 H new ATOM 1128 N TYR A 78 6.097 4.741 -5.458 1.00 0.00 N ATOM 1129 CA TYR A 78 5.892 3.454 -6.113 1.00 0.00 C ATOM 1130 C TYR A 78 6.161 2.303 -5.149 1.00 0.00 C ATOM 1131 O TYR A 78 7.311 2.004 -4.827 1.00 0.00 O ATOM 1132 CB TYR A 78 6.802 3.332 -7.337 1.00 0.00 C ATOM 1133 CG TYR A 78 6.231 2.457 -8.430 1.00 0.00 C ATOM 1134 CD1 TYR A 78 4.963 2.695 -8.946 1.00 0.00 C ATOM 1135 CD2 TYR A 78 6.959 1.392 -8.946 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.437 1.897 -9.945 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.442 0.590 -9.945 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.180 0.847 -10.441 1.00 0.00 C ATOM 1139 OH TYR A 78 4.661 0.050 -11.435 1.00 0.00 O ATOM 0 H TYR A 78 7.021 4.861 -5.043 1.00 0.00 H new ATOM 0 HA TYR A 78 4.852 3.399 -6.434 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.990 4.327 -7.740 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.765 2.928 -7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.379 3.517 -8.560 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.946 1.188 -8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.449 2.095 -10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.022 -0.233 -10.336 1.00 0.00 H new ATOM 0 HH TYR A 78 5.312 -0.643 -11.672 1.00 0.00 H new ATOM 1149 N ILE A 79 5.091 1.661 -4.692 1.00 0.00 N ATOM 1150 CA ILE A 79 5.209 0.542 -3.766 1.00 0.00 C ATOM 1151 C ILE A 79 4.842 -0.774 -4.445 1.00 0.00 C ATOM 1152 O ILE A 79 3.937 -0.824 -5.277 1.00 0.00 O ATOM 1153 CB ILE A 79 4.313 0.737 -2.530 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.699 2.019 -1.790 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.417 -0.467 -1.605 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.542 2.669 -1.064 1.00 0.00 C ATOM 0 H ILE A 79 4.132 1.897 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 79 6.250 0.505 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 79 3.278 0.828 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.486 1.791 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.115 2.730 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.778 -0.314 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.098 -1.363 -2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.450 -0.587 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.889 3.572 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.763 2.928 -1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.140 1.975 -0.326 1.00 0.00 H new ATOM 1168 N SER A 80 5.550 -1.838 -4.081 1.00 0.00 N ATOM 1169 CA SER A 80 5.300 -3.155 -4.656 1.00 0.00 C ATOM 1170 C SER A 80 5.454 -4.246 -3.601 1.00 0.00 C ATOM 1171 O SER A 80 6.353 -4.192 -2.761 1.00 0.00 O ATOM 1172 CB SER A 80 6.258 -3.417 -5.820 1.00 0.00 C ATOM 1173 OG SER A 80 7.495 -3.930 -5.356 1.00 0.00 O ATOM 0 H SER A 80 6.301 -1.814 -3.391 1.00 0.00 H new ATOM 0 HA SER A 80 4.275 -3.174 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.806 -4.124 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.428 -2.492 -6.371 1.00 0.00 H new ATOM 0 HG SER A 80 8.089 -4.090 -6.119 1.00 0.00 H new ATOM 1179 N TYR A 81 4.569 -5.236 -3.650 1.00 0.00 N ATOM 1180 CA TYR A 81 4.603 -6.340 -2.698 1.00 0.00 C ATOM 1181 C TYR A 81 4.222 -7.654 -3.372 1.00 0.00 C ATOM 1182 O TYR A 81 3.482 -7.669 -4.357 1.00 0.00 O ATOM 1183 CB TYR A 81 3.658 -6.061 -1.528 1.00 0.00 C ATOM 1184 CG TYR A 81 2.196 -6.076 -1.914 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.479 -7.266 -1.949 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.533 -4.901 -2.246 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.143 -7.284 -2.302 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.197 -4.910 -2.599 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.493 -6.104 -2.626 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.823 -6.118 -2.978 1.00 0.00 O ATOM 0 H TYR A 81 3.819 -5.296 -4.339 1.00 0.00 H new ATOM 0 HA TYR A 81 5.622 -6.429 -2.321 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.827 -6.805 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.902 -5.089 -1.099 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.974 -8.192 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.071 -3.965 -2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.400 -8.217 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.304 -3.987 -2.852 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.119 -5.205 -3.175 1.00 0.00 H new ATOM 1200 N THR A 82 4.733 -8.757 -2.835 1.00 0.00 N ATOM 1201 CA THR A 82 4.448 -10.077 -3.384 1.00 0.00 C ATOM 1202 C THR A 82 4.112 -11.071 -2.278 1.00 0.00 C ATOM 1203 O THR A 82 4.971 -11.482 -1.497 1.00 0.00 O ATOM 1204 CB THR A 82 5.639 -10.616 -4.199 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.047 -9.647 -5.170 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.274 -11.918 -4.896 1.00 0.00 C ATOM 0 H THR A 82 5.347 -8.763 -2.020 1.00 0.00 H new ATOM 0 HA THR A 82 3.587 -9.966 -4.043 1.00 0.00 H new ATOM 0 HB THR A 82 6.463 -10.810 -3.512 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.805 -9.997 -5.683 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.131 -12.279 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.993 -12.663 -4.151 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.436 -11.746 -5.572 1.00 0.00 H new ATOM 1214 N PRO A 83 2.833 -11.470 -2.209 1.00 0.00 N ATOM 1215 CA PRO A 83 2.355 -12.423 -1.203 1.00 0.00 C ATOM 1216 C PRO A 83 2.884 -13.833 -1.442 1.00 0.00 C ATOM 1217 O PRO A 83 2.306 -14.602 -2.210 1.00 0.00 O ATOM 1218 CB PRO A 83 0.834 -12.386 -1.374 1.00 0.00 C ATOM 1219 CG PRO A 83 0.622 -11.955 -2.785 1.00 0.00 C ATOM 1220 CD PRO A 83 1.756 -11.022 -3.107 1.00 0.00 C ATOM 0 HA PRO A 83 2.692 -12.160 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.391 -13.364 -1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.374 -11.689 -0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.618 -12.812 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.340 -11.455 -2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.050 -11.094 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.486 -9.982 -2.922 1.00 0.00 H new ATOM 1228 N LYS A 84 3.985 -14.167 -0.778 1.00 0.00 N ATOM 1229 CA LYS A 84 4.592 -15.485 -0.916 1.00 0.00 C ATOM 1230 C LYS A 84 3.533 -16.581 -0.852 1.00 0.00 C ATOM 1231 O LYS A 84 3.658 -17.616 -1.505 1.00 0.00 O ATOM 1232 CB LYS A 84 5.637 -15.706 0.180 1.00 0.00 C ATOM 1233 CG LYS A 84 5.080 -15.575 1.587 1.00 0.00 C ATOM 1234 CD LYS A 84 5.864 -16.418 2.578 1.00 0.00 C ATOM 1235 CE LYS A 84 7.026 -15.638 3.175 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.436 -16.183 4.499 1.00 0.00 N ATOM 0 H LYS A 84 4.476 -13.542 -0.138 1.00 0.00 H new ATOM 0 HA LYS A 84 5.080 -15.532 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.071 -16.699 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.445 -14.987 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.109 -14.530 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.034 -15.881 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.202 -16.754 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.241 -17.311 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.874 -15.669 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.743 -14.591 3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.230 -15.625 4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.634 -16.130 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.730 -17.175 4.390 1.00 0.00 H new ATOM 1250 N GLU A 85 2.491 -16.345 -0.060 1.00 0.00 N ATOM 1251 CA GLU A 85 1.410 -17.313 0.088 1.00 0.00 C ATOM 1252 C GLU A 85 0.050 -16.631 -0.025 1.00 0.00 C ATOM 1253 O GLU A 85 -0.100 -15.440 0.249 1.00 0.00 O ATOM 1254 CB GLU A 85 1.522 -18.033 1.433 1.00 0.00 C ATOM 1255 CG GLU A 85 2.573 -19.130 1.451 1.00 0.00 C ATOM 1256 CD GLU A 85 2.436 -20.051 2.648 1.00 0.00 C ATOM 1257 OE1 GLU A 85 2.838 -19.645 3.758 1.00 0.00 O ATOM 1258 OE2 GLU A 85 1.925 -21.177 2.474 1.00 0.00 O ATOM 0 H GLU A 85 2.373 -15.493 0.488 1.00 0.00 H new ATOM 0 HA GLU A 85 1.498 -18.044 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.758 -17.303 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.554 -18.465 1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.496 -19.717 0.536 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.565 -18.678 1.457 1.00 0.00 H new ATOM 1265 N PRO A 86 -0.966 -17.403 -0.439 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.332 -16.896 -0.597 1.00 0.00 C ATOM 1267 C PRO A 86 -2.991 -16.576 0.740 1.00 0.00 C ATOM 1268 O PRO A 86 -2.442 -16.872 1.800 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.061 -18.050 -1.290 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.293 -19.268 -0.906 1.00 0.00 C ATOM 1271 CD PRO A 86 -0.859 -18.831 -0.782 1.00 0.00 C ATOM 0 HA PRO A 86 -2.357 -15.961 -1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.098 -18.117 -0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.076 -17.916 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.658 -19.679 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.399 -20.050 -1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.333 -19.392 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.311 -18.981 -1.712 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.173 -15.969 0.683 1.00 0.00 N ATOM 1280 CA GLY A 87 -4.887 -15.619 1.896 1.00 0.00 C ATOM 1281 C GLY A 87 -5.150 -14.130 2.006 1.00 0.00 C ATOM 1282 O GLY A 87 -4.829 -13.367 1.095 1.00 0.00 O ATOM 0 H GLY A 87 -4.648 -15.714 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.836 -16.155 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.311 -15.948 2.761 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.738 -13.716 3.124 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.045 -12.308 3.349 1.00 0.00 C ATOM 1288 C VAL A 88 -4.872 -11.588 4.006 1.00 0.00 C ATOM 1289 O VAL A 88 -4.255 -12.106 4.936 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.296 -12.141 4.232 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.086 -12.804 5.585 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.637 -10.668 4.398 1.00 0.00 C ATOM 0 H VAL A 88 -6.011 -14.335 3.887 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.238 -11.865 2.372 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.136 -12.632 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.980 -12.676 6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.893 -13.867 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.235 -12.344 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.523 -10.568 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.800 -10.152 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.832 -10.227 3.420 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.571 -10.391 3.516 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.471 -9.600 4.053 1.00 0.00 C ATOM 1304 C TYR A 89 -3.949 -8.210 4.463 1.00 0.00 C ATOM 1305 O TYR A 89 -5.051 -7.790 4.110 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.348 -9.481 3.021 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.538 -10.747 2.860 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.042 -11.833 2.156 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.267 -10.857 3.411 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.306 -12.993 2.006 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.477 -12.012 3.266 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.047 -13.077 2.563 1.00 0.00 C ATOM 1313 OH TYR A 89 0.691 -14.229 2.415 1.00 0.00 O ATOM 0 H TYR A 89 -5.074 -9.947 2.747 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.089 -10.110 4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.779 -9.210 2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.683 -8.668 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.027 -11.770 1.718 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.146 -10.025 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.714 -13.828 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.463 -12.081 3.701 1.00 0.00 H new ATOM 0 HH TYR A 89 0.245 -14.824 1.777 1.00 0.00 H new ATOM 1323 N THR A 90 -3.111 -7.500 5.212 1.00 0.00 N ATOM 1324 CA THR A 90 -3.445 -6.158 5.671 1.00 0.00 C ATOM 1325 C THR A 90 -2.326 -5.173 5.355 1.00 0.00 C ATOM 1326 O THR A 90 -1.283 -5.172 6.008 1.00 0.00 O ATOM 1327 CB THR A 90 -3.720 -6.135 7.187 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.487 -7.285 7.563 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.467 -4.870 7.583 1.00 0.00 C ATOM 0 H THR A 90 -2.195 -7.833 5.514 1.00 0.00 H new ATOM 0 HA THR A 90 -4.349 -5.859 5.140 1.00 0.00 H new ATOM 0 HB THR A 90 -2.763 -6.150 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.656 -7.264 8.528 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.650 -4.877 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.868 -3.997 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.419 -4.829 7.053 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.549 -4.334 4.348 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.560 -3.342 3.946 1.00 0.00 C ATOM 1339 C VAL A 91 -1.591 -2.129 4.869 1.00 0.00 C ATOM 1340 O VAL A 91 -2.615 -1.456 4.992 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.789 -2.876 2.496 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.667 -1.951 2.048 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.908 -4.073 1.565 1.00 0.00 C ATOM 0 H VAL A 91 -3.407 -4.322 3.796 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.584 -3.823 4.015 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.725 -2.318 2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.846 -1.632 1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.634 -1.077 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.284 -2.480 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.070 -3.726 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.990 -4.660 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.750 -4.693 1.875 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.464 -1.855 5.515 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.362 -0.722 6.428 1.00 0.00 C ATOM 1355 C TRP A 92 0.299 0.470 5.744 1.00 0.00 C ATOM 1356 O TRP A 92 1.515 0.493 5.552 1.00 0.00 O ATOM 1357 CB TRP A 92 0.432 -1.114 7.675 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.361 -1.929 8.652 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.243 -2.930 8.358 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.344 -1.811 10.078 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.776 -3.441 9.517 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.240 -2.772 10.586 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.341 -0.988 10.976 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.467 -2.929 11.951 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.114 -1.146 12.330 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.783 -2.111 12.807 1.00 0.00 C ATOM 0 H TRP A 92 0.392 -2.402 5.424 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.371 -0.435 6.724 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.314 -1.679 7.373 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.787 -0.210 8.170 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.486 -3.270 7.362 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.460 -4.196 9.573 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.035 -0.242 10.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.159 -3.671 12.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.637 -0.515 13.033 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.937 -2.211 13.871 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.509 1.460 5.377 1.00 0.00 N ATOM 1378 CA VAL A 93 -0.002 2.656 4.715 1.00 0.00 C ATOM 1379 C VAL A 93 -0.298 3.906 5.537 1.00 0.00 C ATOM 1380 O VAL A 93 -1.440 4.361 5.604 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.613 2.822 3.311 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.174 4.139 2.690 1.00 0.00 C ATOM 1383 CG2 VAL A 93 -0.228 1.649 2.421 1.00 0.00 C ATOM 0 H VAL A 93 -1.518 1.457 5.527 1.00 0.00 H new ATOM 0 HA VAL A 93 1.077 2.533 4.621 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.699 2.836 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.615 4.239 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.504 4.966 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.913 4.158 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.668 1.782 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.857 1.601 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.597 0.722 2.860 1.00 0.00 H new ATOM 1393 N CYS A 94 0.738 4.456 6.159 1.00 0.00 N ATOM 1394 CA CYS A 94 0.590 5.655 6.978 1.00 0.00 C ATOM 1395 C CYS A 94 1.706 6.653 6.687 1.00 0.00 C ATOM 1396 O CYS A 94 2.832 6.266 6.371 1.00 0.00 O ATOM 1397 CB CYS A 94 0.592 5.287 8.462 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.519 3.925 8.887 1.00 0.00 S ATOM 0 H CYS A 94 1.690 4.092 6.113 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.363 6.121 6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.607 5.020 8.758 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.312 6.165 9.043 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.157 3.408 10.024 1.00 0.00 H new ATOM 1404 N ILE A 95 1.386 7.938 6.794 1.00 0.00 N ATOM 1405 CA ILE A 95 2.361 8.991 6.542 1.00 0.00 C ATOM 1406 C ILE A 95 2.478 9.930 7.738 1.00 0.00 C ATOM 1407 O ILE A 95 1.484 10.486 8.205 1.00 0.00 O ATOM 1408 CB ILE A 95 1.992 9.813 5.293 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.194 8.977 4.028 1.00 0.00 C ATOM 1410 CG2 ILE A 95 2.824 11.086 5.231 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.730 9.669 2.765 1.00 0.00 C ATOM 0 H ILE A 95 0.459 8.275 7.054 1.00 0.00 H new ATOM 0 HA ILE A 95 3.319 8.500 6.374 1.00 0.00 H new ATOM 0 HB ILE A 95 0.940 10.092 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.251 8.731 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.656 8.035 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.551 11.656 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.635 11.688 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.882 10.827 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.904 9.018 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.666 9.891 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.286 10.597 2.634 1.00 0.00 H new ATOM 1423 N LYS A 96 3.700 10.104 8.230 1.00 0.00 N ATOM 1424 CA LYS A 96 3.950 10.978 9.370 1.00 0.00 C ATOM 1425 C LYS A 96 3.211 10.481 10.608 1.00 0.00 C ATOM 1426 O LYS A 96 2.601 11.265 11.334 1.00 0.00 O ATOM 1427 CB LYS A 96 3.518 12.410 9.045 1.00 0.00 C ATOM 1428 CG LYS A 96 4.371 13.076 7.980 1.00 0.00 C ATOM 1429 CD LYS A 96 3.598 14.156 7.242 1.00 0.00 C ATOM 1430 CE LYS A 96 3.642 15.481 7.987 1.00 0.00 C ATOM 1431 NZ LYS A 96 2.693 15.504 9.134 1.00 0.00 N ATOM 0 H LYS A 96 4.534 9.651 7.856 1.00 0.00 H new ATOM 0 HA LYS A 96 5.020 10.966 9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.480 12.401 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.557 13.008 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.257 13.512 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.719 12.326 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.015 14.285 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.562 13.842 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.654 15.660 8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.401 16.292 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.378 16.480 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.870 14.908 8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.168 15.140 9.985 1.00 0.00 H new ATOM 1445 N GLU A 97 3.272 9.174 10.844 1.00 0.00 N ATOM 1446 CA GLU A 97 2.609 8.574 11.996 1.00 0.00 C ATOM 1447 C GLU A 97 1.105 8.827 11.950 1.00 0.00 C ATOM 1448 O GLU A 97 0.491 9.166 12.962 1.00 0.00 O ATOM 1449 CB GLU A 97 3.192 9.132 13.296 1.00 0.00 C ATOM 1450 CG GLU A 97 4.681 8.877 13.454 1.00 0.00 C ATOM 1451 CD GLU A 97 5.307 9.728 14.542 1.00 0.00 C ATOM 1452 OE1 GLU A 97 4.857 9.628 15.703 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.244 10.492 14.233 1.00 0.00 O ATOM 0 H GLU A 97 3.773 8.511 10.253 1.00 0.00 H new ATOM 0 HA GLU A 97 2.780 7.498 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.010 10.206 13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.664 8.689 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.843 7.824 13.684 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.183 9.078 12.507 1.00 0.00 H new ATOM 1460 N GLN A 98 0.518 8.661 10.769 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.913 8.873 10.591 1.00 0.00 C ATOM 1462 C GLN A 98 -1.456 8.001 9.463 1.00 0.00 C ATOM 1463 O GLN A 98 -0.937 8.018 8.347 1.00 0.00 O ATOM 1464 CB GLN A 98 -1.200 10.346 10.296 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.675 11.293 11.363 1.00 0.00 C ATOM 1466 CD GLN A 98 -0.856 12.751 10.989 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -1.931 13.163 10.551 1.00 0.00 O ATOM 1468 NE2 GLN A 98 0.197 13.542 11.161 1.00 0.00 N ATOM 0 H GLN A 98 1.012 8.380 9.922 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.414 8.592 11.517 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.754 10.610 9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.276 10.485 10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.190 11.096 12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.383 11.094 11.532 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.069 13.159 11.527 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.134 14.533 10.927 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.505 7.241 9.762 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.119 6.362 8.773 1.00 0.00 C ATOM 1479 C HIS A 99 -3.829 7.173 7.693 1.00 0.00 C ATOM 1480 O HIS A 99 -4.835 7.832 7.958 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.108 5.412 9.448 1.00 0.00 C ATOM 1482 CG HIS A 99 -3.489 4.560 10.513 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -4.041 3.371 10.941 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -2.358 4.731 11.236 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -3.277 2.848 11.883 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -2.248 3.653 12.081 1.00 0.00 N ATOM 0 H HIS A 99 -2.947 7.216 10.681 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.329 5.776 8.303 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.918 5.995 9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.553 4.766 8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.670 5.560 11.163 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.462 1.920 12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.495 3.499 12.752 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.300 7.120 6.475 1.00 0.00 N ATOM 1496 CA VAL A 100 -3.883 7.849 5.355 1.00 0.00 C ATOM 1497 C VAL A 100 -5.358 7.501 5.182 1.00 0.00 C ATOM 1498 O VAL A 100 -5.930 6.766 5.985 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.138 7.549 4.041 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.670 7.928 4.160 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.290 6.082 3.666 1.00 0.00 C ATOM 0 H VAL A 100 -2.468 6.579 6.239 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.787 8.911 5.583 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.580 8.151 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.160 7.709 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.586 8.993 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.210 7.355 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.757 5.887 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.875 5.459 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.346 5.847 3.536 1.00 0.00 H new ATOM 1511 N GLN A 101 -5.966 8.035 4.128 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.374 7.781 3.849 1.00 0.00 C ATOM 1513 C GLN A 101 -7.568 6.397 3.240 1.00 0.00 C ATOM 1514 O GLN A 101 -6.775 5.958 2.407 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.930 8.849 2.905 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.303 8.512 2.346 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.243 7.482 1.235 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -8.162 7.082 0.801 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.407 7.047 0.768 1.00 0.00 N ATOM 0 H GLN A 101 -5.506 8.646 3.453 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.918 7.822 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.987 9.799 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.234 8.988 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.937 8.137 3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.771 9.421 1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.279 7.406 1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.430 6.354 0.020 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.627 5.713 3.660 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.905 4.385 3.146 1.00 0.00 C ATOM 1530 C GLY A 102 -7.824 3.386 3.505 1.00 0.00 C ATOM 1531 O GLY A 102 -7.543 2.462 2.741 1.00 0.00 O ATOM 0 H GLY A 102 -9.298 6.055 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.860 4.039 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.006 4.432 2.062 1.00 0.00 H new ATOM 1535 N SER A 103 -7.214 3.570 4.672 1.00 0.00 N ATOM 1536 CA SER A 103 -6.153 2.680 5.129 1.00 0.00 C ATOM 1537 C SER A 103 -6.095 2.642 6.653 1.00 0.00 C ATOM 1538 O SER A 103 -6.462 3.597 7.338 1.00 0.00 O ATOM 1539 CB SER A 103 -4.803 3.131 4.567 1.00 0.00 C ATOM 1540 OG SER A 103 -4.704 2.841 3.184 1.00 0.00 O ATOM 0 H SER A 103 -7.436 4.327 5.318 1.00 0.00 H new ATOM 0 HA SER A 103 -6.373 1.676 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.678 4.202 4.727 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.997 2.632 5.105 1.00 0.00 H new ATOM 0 HG SER A 103 -5.577 2.548 2.848 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.623 1.511 7.198 1.00 0.00 N ATOM 1547 CA PRO A 104 -5.184 0.368 6.393 1.00 0.00 C ATOM 1548 C PRO A 104 -6.347 -0.335 5.702 1.00 0.00 C ATOM 1549 O PRO A 104 -7.506 -0.154 6.076 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.533 -0.561 7.421 1.00 0.00 C ATOM 1551 CG PRO A 104 -5.185 -0.211 8.714 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.482 1.262 8.643 1.00 0.00 C ATOM 0 HA PRO A 104 -4.515 0.670 5.587 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.695 -1.608 7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.455 -0.407 7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.099 -0.787 8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.530 -0.437 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.393 1.515 9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.677 1.856 9.077 1.00 0.00 H new ATOM 1560 N PHE A 105 -6.031 -1.139 4.692 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.050 -1.869 3.948 1.00 0.00 C ATOM 1562 C PHE A 105 -6.653 -3.332 3.773 1.00 0.00 C ATOM 1563 O PHE A 105 -5.468 -3.664 3.722 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.274 -1.223 2.579 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.039 -1.185 1.724 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.051 -0.242 1.954 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.867 -2.094 0.693 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -3.914 -0.205 1.168 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.732 -2.062 -0.096 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.754 -1.116 0.143 1.00 0.00 C ATOM 0 H PHE A 105 -5.077 -1.301 4.370 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.978 -1.828 4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.055 -1.771 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.639 -0.206 2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -5.170 0.472 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.628 -2.836 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.151 0.536 1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.610 -2.775 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.866 -1.089 -0.471 1.00 0.00 H new ATOM 1580 N THR A 106 -7.653 -4.204 3.682 1.00 0.00 N ATOM 1581 CA THR A 106 -7.409 -5.631 3.515 1.00 0.00 C ATOM 1582 C THR A 106 -7.238 -5.991 2.043 1.00 0.00 C ATOM 1583 O THR A 106 -7.778 -5.321 1.163 1.00 0.00 O ATOM 1584 CB THR A 106 -8.557 -6.470 4.106 1.00 0.00 C ATOM 1585 OG1 THR A 106 -8.817 -6.063 5.455 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.217 -7.952 4.075 1.00 0.00 C ATOM 0 H THR A 106 -8.639 -3.946 3.721 1.00 0.00 H new ATOM 0 HA THR A 106 -6.488 -5.859 4.052 1.00 0.00 H new ATOM 0 HB THR A 106 -9.447 -6.305 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 106 -9.549 -6.600 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.043 -8.524 4.498 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.049 -8.265 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.315 -8.131 4.660 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.483 -7.053 1.783 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.242 -7.504 0.417 1.00 0.00 C ATOM 1596 C VAL A 107 -6.215 -9.026 0.337 1.00 0.00 C ATOM 1597 O VAL A 107 -5.425 -9.681 1.017 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.914 -6.948 -0.131 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.513 -7.680 -1.402 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -5.025 -5.452 -0.380 1.00 0.00 C ATOM 0 H VAL A 107 -6.027 -7.618 2.500 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.064 -7.126 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.136 -7.112 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.573 -7.274 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.390 -8.741 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.289 -7.550 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.078 -5.076 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.815 -5.262 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.262 -4.944 0.555 1.00 0.00 H new ATOM 1610 N THR A 108 -7.084 -9.584 -0.500 1.00 0.00 N ATOM 1611 CA THR A 108 -7.161 -11.030 -0.669 1.00 0.00 C ATOM 1612 C THR A 108 -6.156 -11.516 -1.707 1.00 0.00 C ATOM 1613 O THR A 108 -6.033 -10.936 -2.786 1.00 0.00 O ATOM 1614 CB THR A 108 -8.575 -11.471 -1.093 1.00 0.00 C ATOM 1615 OG1 THR A 108 -8.784 -12.845 -0.746 1.00 0.00 O ATOM 1616 CG2 THR A 108 -8.773 -11.286 -2.590 1.00 0.00 C ATOM 0 H THR A 108 -7.744 -9.057 -1.071 1.00 0.00 H new ATOM 0 HA THR A 108 -6.924 -11.475 0.298 1.00 0.00 H new ATOM 0 HB THR A 108 -9.299 -10.849 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.686 -13.117 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.778 -11.604 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.641 -10.235 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.041 -11.886 -3.131 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.440 -12.585 -1.375 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.446 -13.151 -2.280 1.00 0.00 C ATOM 1626 C VAL A 109 -4.914 -14.489 -2.842 1.00 0.00 C ATOM 1627 O VAL A 109 -4.859 -15.513 -2.161 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.092 -13.348 -1.574 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.068 -13.933 -2.536 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.598 -12.032 -0.992 1.00 0.00 C ATOM 0 H VAL A 109 -5.529 -13.077 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.321 -12.441 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.229 -14.053 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.117 -14.065 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.420 -14.898 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.932 -13.255 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.640 -12.190 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.477 -11.303 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.323 -11.659 -0.269 1.00 0.00 H new ATOM 1640 N ARG A 110 -5.373 -14.473 -4.089 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.851 -15.686 -4.743 1.00 0.00 C ATOM 1642 C ARG A 110 -4.747 -16.737 -4.813 1.00 0.00 C ATOM 1643 O ARG A 110 -3.654 -16.539 -4.282 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.356 -15.366 -6.151 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.312 -14.186 -6.201 1.00 0.00 C ATOM 1646 CD ARG A 110 -7.837 -13.954 -7.610 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.154 -13.322 -7.606 1.00 0.00 N ATOM 1648 CZ ARG A 110 -9.860 -13.089 -8.707 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -9.378 -13.434 -9.893 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -11.051 -12.510 -8.622 1.00 0.00 N ATOM 0 H ARG A 110 -5.424 -13.634 -4.667 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.674 -16.088 -4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.502 -15.159 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.856 -16.245 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.148 -14.365 -5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.803 -13.289 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.135 -13.326 -8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.893 -14.906 -8.137 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.553 -13.045 -6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.463 -13.880 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.922 -13.254 -10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -11.425 -12.244 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.593 -12.331 -9.468 1.00 0.00 H new ATOM 1664 N ARG A 111 -5.040 -17.853 -5.472 1.00 0.00 N ATOM 1665 CA ARG A 111 -4.074 -18.935 -5.610 1.00 0.00 C ATOM 1666 C ARG A 111 -3.468 -18.947 -7.010 1.00 0.00 C ATOM 1667 O ARG A 111 -4.178 -18.822 -8.008 1.00 0.00 O ATOM 1668 CB ARG A 111 -4.739 -20.282 -5.319 1.00 0.00 C ATOM 1669 CG ARG A 111 -5.023 -20.515 -3.844 1.00 0.00 C ATOM 1670 CD ARG A 111 -6.053 -21.616 -3.643 1.00 0.00 C ATOM 1671 NE ARG A 111 -5.468 -22.946 -3.795 1.00 0.00 N ATOM 1672 CZ ARG A 111 -6.140 -24.072 -3.582 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -7.412 -24.029 -3.210 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.539 -25.244 -3.741 1.00 0.00 N ATOM 0 H ARG A 111 -5.939 -18.031 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.275 -18.769 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -5.675 -20.343 -5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.097 -21.082 -5.687 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.099 -20.782 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.383 -19.591 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.493 -21.524 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.862 -21.491 -4.362 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.491 -23.014 -4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.877 -23.130 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.925 -24.895 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.561 -25.281 -4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.055 -26.108 -3.577 1.00 0.00 H new ATOM 1688 N LYS A 112 -2.149 -19.098 -7.077 1.00 0.00 N ATOM 1689 CA LYS A 112 -1.446 -19.127 -8.354 1.00 0.00 C ATOM 1690 C LYS A 112 -1.947 -20.275 -9.225 1.00 0.00 C ATOM 1691 O LYS A 112 -1.970 -21.429 -8.796 1.00 0.00 O ATOM 1692 CB LYS A 112 0.061 -19.266 -8.127 1.00 0.00 C ATOM 1693 CG LYS A 112 0.896 -18.899 -9.341 1.00 0.00 C ATOM 1694 CD LYS A 112 0.992 -17.393 -9.518 1.00 0.00 C ATOM 1695 CE LYS A 112 1.433 -17.024 -10.926 1.00 0.00 C ATOM 1696 NZ LYS A 112 0.295 -17.041 -11.886 1.00 0.00 N ATOM 0 H LYS A 112 -1.546 -19.202 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.645 -18.188 -8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.354 -18.632 -7.290 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.283 -20.294 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.897 -19.318 -9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.457 -19.344 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.024 -16.939 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.699 -16.985 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.885 -16.032 -10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.201 -17.722 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.641 -17.308 -12.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.416 -17.731 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.136 -16.096 -11.930 1.00 0.00 H new ATOM 1710 N HIS A 113 -2.346 -19.950 -10.451 1.00 0.00 N ATOM 1711 CA HIS A 113 -2.845 -20.955 -11.384 1.00 0.00 C ATOM 1712 C HIS A 113 -1.837 -21.208 -12.501 1.00 0.00 C ATOM 1713 O HIS A 113 -1.411 -20.279 -13.188 1.00 0.00 O ATOM 1714 CB HIS A 113 -4.181 -20.510 -11.978 1.00 0.00 C ATOM 1715 CG HIS A 113 -4.212 -19.065 -12.369 1.00 0.00 C ATOM 1716 ND1 HIS A 113 -4.346 -18.641 -13.674 1.00 0.00 N ATOM 1717 CD2 HIS A 113 -4.126 -17.943 -11.617 1.00 0.00 C ATOM 1718 CE1 HIS A 113 -4.340 -17.320 -13.709 1.00 0.00 C ATOM 1719 NE2 HIS A 113 -4.208 -16.872 -12.473 1.00 0.00 N ATOM 0 H HIS A 113 -2.334 -19.000 -10.821 1.00 0.00 H new ATOM 0 HA HIS A 113 -2.992 -21.885 -10.834 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -4.400 -21.120 -12.855 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -4.972 -20.698 -11.253 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -4.014 -17.898 -10.544 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -4.428 -16.711 -14.596 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -4.173 -15.890 -12.199 1.00 0.00 H new TER 1728 HIS A 113