USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 735 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 45:sc= 0.0451 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0368) USER MOD Single : A 26 MET CE :methyl 180:sc= -8.84! (180deg=-8.84!) USER MOD Single : A 31 SER OG : rot -170:sc= -0.3 USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= -0.0945 (180deg=-1.01) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -3.34! C(o=-3.3!,f=-12!) USER MOD Single : A 42 THR OG1 : rot -45:sc= 0.824 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.69 K(o=-1.7,f=-8.3!) USER MOD Single : A 60 SER OG : rot 180:sc= -2.5! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 64 HIS : no HE2:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -6:sc= -0.391 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 89:sc= 0.208 USER MOD Single : A 85 MET CE :methyl 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -166:sc= 0.573 (180deg=0.232) USER MOD Single : B 5 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.293 -18.446 7.429 1.00 0.00 N ATOM 2 CA ARG A 1 -6.817 -17.205 8.108 1.00 0.00 C ATOM 3 C ARG A 1 -5.293 -17.139 8.084 1.00 0.00 C ATOM 4 O ARG A 1 -4.627 -18.023 7.585 1.00 0.00 O ATOM 5 CB ARG A 1 -7.327 -17.316 9.545 1.00 0.00 C ATOM 6 CG ARG A 1 -8.175 -16.087 9.882 1.00 0.00 C ATOM 7 CD ARG A 1 -9.658 -16.447 9.777 1.00 0.00 C ATOM 8 NE ARG A 1 -9.910 -17.370 10.918 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.443 -18.542 10.704 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.453 -18.659 9.887 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.965 -19.598 11.304 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.332 -18.478 7.453 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.969 -18.447 6.441 1.00 0.00 H new ATOM 0 H3 ARG A 1 -6.910 -19.279 7.920 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.180 -16.303 7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.920 -18.223 9.663 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.487 -17.392 10.235 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -7.945 -15.738 10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -7.939 -15.271 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.286 -15.558 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.882 -16.927 8.824 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.666 -17.086 11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -11.826 -17.835 9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -11.870 -19.575 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.174 -19.508 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -10.383 -20.513 11.136 1.00 0.00 H new ATOM 27 N ARG A 2 -4.739 -16.086 8.612 1.00 0.00 N ATOM 28 CA ARG A 2 -3.260 -15.940 8.615 1.00 0.00 C ATOM 29 C ARG A 2 -2.843 -14.950 9.708 1.00 0.00 C ATOM 30 O ARG A 2 -3.522 -13.975 9.964 1.00 0.00 O ATOM 31 CB ARG A 2 -2.938 -15.400 7.218 1.00 0.00 C ATOM 32 CG ARG A 2 -1.469 -14.986 7.134 1.00 0.00 C ATOM 33 CD ARG A 2 -0.740 -15.902 6.156 1.00 0.00 C ATOM 34 NE ARG A 2 0.656 -15.958 6.666 1.00 0.00 N ATOM 35 CZ ARG A 2 1.317 -17.083 6.639 1.00 0.00 C ATOM 36 NH1 ARG A 2 0.862 -18.123 7.284 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.433 -17.169 5.969 1.00 0.00 N ATOM 0 H ARG A 2 -5.250 -15.316 9.044 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.730 -16.870 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.151 -16.162 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.577 -14.545 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.390 -13.949 6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.006 -15.045 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.192 -16.893 6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.776 -15.507 5.141 1.00 0.00 H new ATOM 0 HE ARG A 2 1.097 -15.117 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.010 -18.056 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.379 -19.002 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.790 -16.357 5.466 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.949 -18.049 5.948 1.00 0.00 H new ATOM 51 N ARG A 3 -1.738 -15.191 10.357 1.00 0.00 N ATOM 52 CA ARG A 3 -1.287 -14.258 11.431 1.00 0.00 C ATOM 53 C ARG A 3 0.111 -13.725 11.112 1.00 0.00 C ATOM 54 O ARG A 3 0.984 -14.460 10.695 1.00 0.00 O ATOM 55 CB ARG A 3 -1.271 -15.100 12.712 1.00 0.00 C ATOM 56 CG ARG A 3 -0.232 -16.218 12.589 1.00 0.00 C ATOM 57 CD ARG A 3 -0.297 -17.112 13.829 1.00 0.00 C ATOM 58 NE ARG A 3 0.084 -18.469 13.347 1.00 0.00 N ATOM 59 CZ ARG A 3 -0.829 -19.391 13.200 1.00 0.00 C ATOM 60 NH1 ARG A 3 -1.236 -20.077 14.232 1.00 0.00 N ATOM 61 NH2 ARG A 3 -1.332 -19.626 12.018 1.00 0.00 N ATOM 0 H ARG A 3 -1.128 -15.991 10.192 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.940 -13.391 11.528 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.038 -14.469 13.570 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.258 -15.527 12.889 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.421 -16.808 11.692 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.766 -15.792 12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.385 -16.762 14.604 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.297 -17.114 14.262 1.00 0.00 H new ATOM 0 HE ARG A 3 1.059 -18.678 13.132 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.841 -19.893 15.154 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.949 -20.797 14.117 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.012 -19.090 11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.045 -20.346 11.901 1.00 0.00 H new ATOM 75 N VAL A 4 0.333 -12.452 11.298 1.00 0.00 N ATOM 76 CA VAL A 4 1.678 -11.884 10.994 1.00 0.00 C ATOM 77 C VAL A 4 2.088 -10.871 12.066 1.00 0.00 C ATOM 78 O VAL A 4 1.315 -10.023 12.461 1.00 0.00 O ATOM 79 CB VAL A 4 1.513 -11.198 9.638 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.862 -10.642 9.177 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.002 -12.214 8.615 1.00 0.00 C ATOM 0 H VAL A 4 -0.355 -11.784 11.645 1.00 0.00 H new ATOM 0 HA VAL A 4 2.455 -12.648 10.976 1.00 0.00 H new ATOM 0 HB VAL A 4 0.798 -10.380 9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.743 -10.153 8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.226 -9.919 9.907 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.579 -11.457 9.085 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.883 -11.727 7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.718 -13.031 8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.040 -12.608 8.943 1.00 0.00 H new ATOM 91 N THR A 5 3.302 -10.955 12.535 1.00 0.00 N ATOM 92 CA THR A 5 3.767 -9.995 13.577 1.00 0.00 C ATOM 93 C THR A 5 4.940 -9.170 13.045 1.00 0.00 C ATOM 94 O THR A 5 5.944 -9.703 12.615 1.00 0.00 O ATOM 95 CB THR A 5 4.217 -10.864 14.757 1.00 0.00 C ATOM 96 OG1 THR A 5 3.085 -11.506 15.327 1.00 0.00 O ATOM 97 CG2 THR A 5 4.900 -9.991 15.819 1.00 0.00 C ATOM 0 H THR A 5 3.993 -11.646 12.242 1.00 0.00 H new ATOM 0 HA THR A 5 2.985 -9.293 13.866 1.00 0.00 H new ATOM 0 HB THR A 5 4.925 -11.614 14.403 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.370 -12.064 16.081 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.217 -10.615 16.654 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.770 -9.500 15.382 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.199 -9.236 16.176 1.00 0.00 H new ATOM 105 N VAL A 6 4.828 -7.875 13.091 1.00 0.00 N ATOM 106 CA VAL A 6 5.950 -7.019 12.609 1.00 0.00 C ATOM 107 C VAL A 6 6.465 -6.168 13.767 1.00 0.00 C ATOM 108 O VAL A 6 5.708 -5.517 14.458 1.00 0.00 O ATOM 109 CB VAL A 6 5.358 -6.147 11.496 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.403 -5.134 11.019 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.949 -7.034 10.325 1.00 0.00 C ATOM 0 H VAL A 6 4.013 -7.371 13.440 1.00 0.00 H new ATOM 0 HA VAL A 6 6.793 -7.600 12.235 1.00 0.00 H new ATOM 0 HB VAL A 6 4.488 -5.615 11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.977 -4.517 10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.702 -4.499 11.853 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.275 -5.664 10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.527 -6.417 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.823 -7.564 9.947 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.203 -7.756 10.658 1.00 0.00 H new ATOM 121 N ARG A 7 7.746 -6.176 13.995 1.00 0.00 N ATOM 122 CA ARG A 7 8.302 -5.375 15.119 1.00 0.00 C ATOM 123 C ARG A 7 8.812 -4.030 14.598 1.00 0.00 C ATOM 124 O ARG A 7 9.976 -3.871 14.289 1.00 0.00 O ATOM 125 CB ARG A 7 9.451 -6.218 15.677 1.00 0.00 C ATOM 126 CG ARG A 7 8.895 -7.323 16.583 1.00 0.00 C ATOM 127 CD ARG A 7 9.977 -7.765 17.571 1.00 0.00 C ATOM 128 NE ARG A 7 10.435 -9.090 17.068 1.00 0.00 N ATOM 129 CZ ARG A 7 10.143 -10.177 17.728 1.00 0.00 C ATOM 130 NH1 ARG A 7 8.945 -10.336 18.223 1.00 0.00 N ATOM 131 NH2 ARG A 7 11.046 -11.103 17.896 1.00 0.00 N ATOM 0 H ARG A 7 8.432 -6.701 13.453 1.00 0.00 H new ATOM 0 HA ARG A 7 7.558 -5.155 15.885 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.021 -6.659 14.859 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.138 -5.586 16.240 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.021 -6.960 17.123 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.568 -8.171 15.981 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.798 -7.049 17.604 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.580 -7.842 18.583 1.00 0.00 H new ATOM 0 HE ARG A 7 10.978 -9.148 16.206 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.239 -9.611 18.093 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.715 -11.185 18.739 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.982 -10.978 17.511 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.816 -11.952 18.412 1.00 0.00 H new ATOM 145 N LYS A 8 7.942 -3.061 14.493 1.00 0.00 N ATOM 146 CA LYS A 8 8.366 -1.725 13.985 1.00 0.00 C ATOM 147 C LYS A 8 8.957 -0.886 15.120 1.00 0.00 C ATOM 148 O LYS A 8 8.974 -1.294 16.264 1.00 0.00 O ATOM 149 CB LYS A 8 7.083 -1.080 13.461 1.00 0.00 C ATOM 150 CG LYS A 8 7.347 -0.452 12.093 1.00 0.00 C ATOM 151 CD LYS A 8 6.164 0.436 11.706 1.00 0.00 C ATOM 152 CE LYS A 8 6.316 1.809 12.364 1.00 0.00 C ATOM 153 NZ LYS A 8 5.637 2.755 11.435 1.00 0.00 N ATOM 0 H LYS A 8 6.955 -3.138 14.738 1.00 0.00 H new ATOM 0 HA LYS A 8 9.134 -1.802 13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.294 -1.828 13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.734 -0.320 14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.264 0.137 12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.491 -1.231 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.117 0.544 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.229 -0.028 12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.856 1.827 13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.366 2.070 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.698 3.720 11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.101 2.721 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.638 2.485 11.334 1.00 0.00 H new ATOM 167 N ALA A 9 9.438 0.287 14.812 1.00 0.00 N ATOM 168 CA ALA A 9 10.023 1.159 15.870 1.00 0.00 C ATOM 169 C ALA A 9 9.096 2.349 16.136 1.00 0.00 C ATOM 170 O ALA A 9 7.912 2.293 15.869 1.00 0.00 O ATOM 171 CB ALA A 9 11.362 1.627 15.297 1.00 0.00 C ATOM 0 H ALA A 9 9.451 0.680 13.871 1.00 0.00 H new ATOM 0 HA ALA A 9 10.151 0.640 16.820 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.859 2.277 16.017 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.993 0.762 15.093 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.190 2.176 14.371 1.00 0.00 H new ATOM 177 N ASP A 10 9.619 3.428 16.658 1.00 0.00 N ATOM 178 CA ASP A 10 8.757 4.615 16.936 1.00 0.00 C ATOM 179 C ASP A 10 7.945 4.986 15.691 1.00 0.00 C ATOM 180 O ASP A 10 6.737 5.106 15.740 1.00 0.00 O ATOM 181 CB ASP A 10 9.732 5.737 17.293 1.00 0.00 C ATOM 182 CG ASP A 10 9.001 6.810 18.104 1.00 0.00 C ATOM 183 OD1 ASP A 10 8.020 7.335 17.605 1.00 0.00 O ATOM 184 OD2 ASP A 10 9.436 7.086 19.210 1.00 0.00 O ATOM 0 H ASP A 10 10.603 3.538 16.903 1.00 0.00 H new ATOM 0 HA ASP A 10 8.041 4.426 17.736 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.568 5.338 17.868 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.149 6.173 16.385 1.00 0.00 H new ATOM 189 N ALA A 11 8.599 5.166 14.576 1.00 0.00 N ATOM 190 CA ALA A 11 7.864 5.526 13.329 1.00 0.00 C ATOM 191 C ALA A 11 8.807 5.475 12.123 1.00 0.00 C ATOM 192 O ALA A 11 9.156 6.490 11.553 1.00 0.00 O ATOM 193 CB ALA A 11 7.368 6.955 13.560 1.00 0.00 C ATOM 0 H ALA A 11 9.610 5.079 14.474 1.00 0.00 H new ATOM 0 HA ALA A 11 7.045 4.838 13.121 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.815 7.294 12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.715 6.977 14.432 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.220 7.613 13.729 1.00 0.00 H new ATOM 199 N GLY A 12 9.221 4.302 11.731 1.00 0.00 N ATOM 200 CA GLY A 12 10.141 4.191 10.563 1.00 0.00 C ATOM 201 C GLY A 12 9.342 3.796 9.319 1.00 0.00 C ATOM 202 O GLY A 12 9.827 3.088 8.459 1.00 0.00 O ATOM 0 H GLY A 12 8.963 3.417 12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.649 5.141 10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.913 3.448 10.764 1.00 0.00 H new ATOM 206 N GLY A 13 8.122 4.249 9.216 1.00 0.00 N ATOM 207 CA GLY A 13 7.296 3.899 8.025 1.00 0.00 C ATOM 208 C GLY A 13 7.054 2.388 7.998 1.00 0.00 C ATOM 209 O GLY A 13 7.911 1.606 8.359 1.00 0.00 O ATOM 0 H GLY A 13 7.662 4.845 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.345 4.430 8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.803 4.213 7.113 1.00 0.00 H new ATOM 213 N LEU A 14 5.893 1.971 7.573 1.00 0.00 N ATOM 214 CA LEU A 14 5.599 0.510 7.523 1.00 0.00 C ATOM 215 C LEU A 14 5.530 0.029 6.070 1.00 0.00 C ATOM 216 O LEU A 14 5.594 -1.153 5.798 1.00 0.00 O ATOM 217 CB LEU A 14 4.234 0.355 8.193 1.00 0.00 C ATOM 218 CG LEU A 14 4.210 -0.932 9.021 1.00 0.00 C ATOM 219 CD1 LEU A 14 3.257 -0.756 10.204 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.722 -2.088 8.147 1.00 0.00 C ATOM 0 H LEU A 14 5.136 2.578 7.258 1.00 0.00 H new ATOM 0 HA LEU A 14 6.371 -0.078 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.032 1.214 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.448 0.328 7.438 1.00 0.00 H new ATOM 0 HG LEU A 14 5.213 -1.149 9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.238 -1.671 10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.599 0.071 10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.254 -0.542 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.704 -3.006 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.718 -1.870 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.396 -2.213 7.299 1.00 0.00 H new ATOM 232 N GLY A 15 5.389 0.931 5.134 1.00 0.00 N ATOM 233 CA GLY A 15 5.304 0.509 3.707 1.00 0.00 C ATOM 234 C GLY A 15 4.149 -0.481 3.559 1.00 0.00 C ATOM 235 O GLY A 15 4.317 -1.672 3.725 1.00 0.00 O ATOM 0 H GLY A 15 5.329 1.936 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.144 1.375 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.240 0.048 3.393 1.00 0.00 H new ATOM 239 N ILE A 16 2.970 0.002 3.275 1.00 0.00 N ATOM 240 CA ILE A 16 1.804 -0.922 3.152 1.00 0.00 C ATOM 241 C ILE A 16 0.553 -0.163 2.696 1.00 0.00 C ATOM 242 O ILE A 16 0.117 0.774 3.333 1.00 0.00 O ATOM 243 CB ILE A 16 1.604 -1.479 4.570 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.308 -2.292 4.639 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.519 -0.326 5.575 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.592 -3.638 5.296 1.00 0.00 C ATOM 0 H ILE A 16 2.763 0.989 3.124 1.00 0.00 H new ATOM 0 HA ILE A 16 1.976 -1.706 2.414 1.00 0.00 H new ATOM 0 HB ILE A 16 2.451 -2.120 4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.446 -1.748 5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.095 -2.441 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.377 -0.728 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.442 0.253 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.677 0.318 5.320 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.329 -4.220 5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.332 -4.181 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.976 -3.477 6.303 1.00 0.00 H new ATOM 258 N SER A 17 -0.039 -0.578 1.610 1.00 0.00 N ATOM 259 CA SER A 17 -1.274 0.105 1.136 1.00 0.00 C ATOM 260 C SER A 17 -2.470 -0.834 1.303 1.00 0.00 C ATOM 261 O SER A 17 -2.467 -1.950 0.825 1.00 0.00 O ATOM 262 CB SER A 17 -1.024 0.413 -0.340 1.00 0.00 C ATOM 263 OG SER A 17 -2.206 0.947 -0.918 1.00 0.00 O ATOM 0 H SER A 17 0.278 -1.357 1.033 1.00 0.00 H new ATOM 0 HA SER A 17 -1.494 1.013 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.204 1.124 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.726 -0.494 -0.867 1.00 0.00 H new ATOM 0 HG SER A 17 -2.594 1.613 -0.313 1.00 0.00 H new ATOM 269 N ILE A 18 -3.490 -0.397 1.991 1.00 0.00 N ATOM 270 CA ILE A 18 -4.677 -1.278 2.199 1.00 0.00 C ATOM 271 C ILE A 18 -5.843 -0.839 1.314 1.00 0.00 C ATOM 272 O ILE A 18 -5.983 0.321 0.987 1.00 0.00 O ATOM 273 CB ILE A 18 -5.034 -1.123 3.678 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.380 0.334 3.980 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.842 -1.543 4.540 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.034 0.416 5.359 1.00 0.00 C ATOM 0 H ILE A 18 -3.554 0.528 2.417 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.464 -2.314 1.936 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.893 -1.755 3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.480 0.948 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.055 0.726 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.098 -1.432 5.594 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.593 -2.584 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.984 -0.912 4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.284 1.453 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.943 -0.186 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.342 0.039 6.113 1.00 0.00 H new ATOM 288 N LYS A 19 -6.685 -1.762 0.927 1.00 0.00 N ATOM 289 CA LYS A 19 -7.847 -1.393 0.070 1.00 0.00 C ATOM 290 C LYS A 19 -9.121 -2.052 0.609 1.00 0.00 C ATOM 291 O LYS A 19 -9.065 -3.023 1.338 1.00 0.00 O ATOM 292 CB LYS A 19 -7.498 -1.916 -1.335 1.00 0.00 C ATOM 293 CG LYS A 19 -7.476 -3.451 -1.353 1.00 0.00 C ATOM 294 CD LYS A 19 -8.167 -3.947 -2.625 1.00 0.00 C ATOM 295 CE LYS A 19 -8.669 -5.377 -2.413 1.00 0.00 C ATOM 296 NZ LYS A 19 -8.706 -5.973 -3.779 1.00 0.00 N ATOM 0 H LYS A 19 -6.617 -2.751 1.167 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.032 -0.319 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.228 -1.549 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.526 -1.530 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.448 -3.813 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.983 -3.845 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.001 -3.292 -2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.472 -3.916 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.004 -5.936 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.656 -5.385 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.041 -6.956 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.352 -5.423 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.751 -5.957 -4.191 1.00 0.00 H new ATOM 310 N GLY A 20 -10.266 -1.533 0.267 1.00 0.00 N ATOM 311 CA GLY A 20 -11.532 -2.136 0.770 1.00 0.00 C ATOM 312 C GLY A 20 -12.168 -1.201 1.797 1.00 0.00 C ATOM 313 O GLY A 20 -11.879 -0.022 1.841 1.00 0.00 O ATOM 0 H GLY A 20 -10.381 -0.719 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.220 -2.306 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.330 -3.107 1.222 1.00 0.00 H new ATOM 317 N GLY A 21 -13.035 -1.716 2.623 1.00 0.00 N ATOM 318 CA GLY A 21 -13.691 -0.855 3.645 1.00 0.00 C ATOM 319 C GLY A 21 -14.908 -1.584 4.217 1.00 0.00 C ATOM 320 O GLY A 21 -15.555 -2.356 3.538 1.00 0.00 O ATOM 0 H GLY A 21 -13.318 -2.696 2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.987 -0.618 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.997 0.091 3.198 1.00 0.00 H new ATOM 324 N ARG A 22 -15.220 -1.349 5.460 1.00 0.00 N ATOM 325 CA ARG A 22 -16.392 -2.032 6.078 1.00 0.00 C ATOM 326 C ARG A 22 -17.686 -1.678 5.331 1.00 0.00 C ATOM 327 O ARG A 22 -18.698 -2.331 5.490 1.00 0.00 O ATOM 328 CB ARG A 22 -16.435 -1.513 7.515 1.00 0.00 C ATOM 329 CG ARG A 22 -17.381 -2.375 8.350 1.00 0.00 C ATOM 330 CD ARG A 22 -16.824 -2.498 9.768 1.00 0.00 C ATOM 331 NE ARG A 22 -17.271 -1.258 10.462 1.00 0.00 N ATOM 332 CZ ARG A 22 -18.316 -1.290 11.245 1.00 0.00 C ATOM 333 NH1 ARG A 22 -19.312 -2.086 10.972 1.00 0.00 N ATOM 334 NH2 ARG A 22 -18.364 -0.524 12.301 1.00 0.00 N ATOM 0 H ARG A 22 -14.714 -0.713 6.076 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.303 -3.118 6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.435 -1.531 7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.769 -0.475 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.375 -1.928 8.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.486 -3.362 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.205 -3.389 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.737 -2.577 9.760 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.762 -0.385 10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.275 -2.684 10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.128 -2.111 11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.585 0.099 12.515 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.180 -0.549 12.912 1.00 0.00 H new ATOM 348 N GLU A 23 -17.666 -0.659 4.511 1.00 0.00 N ATOM 349 CA GLU A 23 -18.898 -0.288 3.760 1.00 0.00 C ATOM 350 C GLU A 23 -19.100 -1.243 2.579 1.00 0.00 C ATOM 351 O GLU A 23 -20.187 -1.373 2.052 1.00 0.00 O ATOM 352 CB GLU A 23 -18.652 1.137 3.267 1.00 0.00 C ATOM 353 CG GLU A 23 -19.534 2.107 4.056 1.00 0.00 C ATOM 354 CD GLU A 23 -18.745 2.659 5.244 1.00 0.00 C ATOM 355 OE1 GLU A 23 -17.952 3.562 5.036 1.00 0.00 O ATOM 356 OE2 GLU A 23 -18.949 2.170 6.344 1.00 0.00 O ATOM 0 H GLU A 23 -16.852 -0.071 4.331 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.794 -0.351 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.602 1.400 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.875 1.209 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.862 2.923 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.431 1.597 4.407 1.00 0.00 H new ATOM 363 N ASN A 24 -18.060 -1.917 2.164 1.00 0.00 N ATOM 364 CA ASN A 24 -18.192 -2.869 1.023 1.00 0.00 C ATOM 365 C ASN A 24 -18.027 -4.306 1.521 1.00 0.00 C ATOM 366 O ASN A 24 -17.686 -5.199 0.771 1.00 0.00 O ATOM 367 CB ASN A 24 -17.057 -2.498 0.066 1.00 0.00 C ATOM 368 CG ASN A 24 -17.501 -1.334 -0.824 1.00 0.00 C ATOM 369 OD1 ASN A 24 -17.894 -1.536 -1.956 1.00 0.00 O ATOM 370 ND2 ASN A 24 -17.454 -0.118 -0.356 1.00 0.00 N ATOM 0 H ASN A 24 -17.125 -1.849 2.566 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.167 -2.808 0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.167 -2.219 0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -16.789 -3.358 -0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.747 0.665 -0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.124 0.050 0.594 1.00 0.00 H new ATOM 377 N LYS A 25 -18.268 -4.535 2.784 1.00 0.00 N ATOM 378 CA LYS A 25 -18.128 -5.913 3.338 1.00 0.00 C ATOM 379 C LYS A 25 -16.735 -6.469 3.036 1.00 0.00 C ATOM 380 O LYS A 25 -16.593 -7.532 2.464 1.00 0.00 O ATOM 381 CB LYS A 25 -19.203 -6.738 2.628 1.00 0.00 C ATOM 382 CG LYS A 25 -19.556 -7.957 3.480 1.00 0.00 C ATOM 383 CD LYS A 25 -20.825 -7.667 4.281 1.00 0.00 C ATOM 384 CE LYS A 25 -21.472 -8.986 4.707 1.00 0.00 C ATOM 385 NZ LYS A 25 -20.644 -9.465 5.849 1.00 0.00 N ATOM 0 H LYS A 25 -18.556 -3.825 3.458 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.247 -5.935 4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.091 -6.129 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.845 -7.057 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.706 -8.828 2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.733 -8.193 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.585 -7.067 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.523 -7.085 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -22.510 -8.839 5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.474 -9.708 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.375 -10.457 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.786 -8.882 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.192 -9.391 6.730 1.00 0.00 H new ATOM 399 N MET A 26 -15.706 -5.764 3.418 1.00 0.00 N ATOM 400 CA MET A 26 -14.325 -6.263 3.150 1.00 0.00 C ATOM 401 C MET A 26 -13.427 -6.026 4.375 1.00 0.00 C ATOM 402 O MET A 26 -13.316 -4.910 4.844 1.00 0.00 O ATOM 403 CB MET A 26 -13.819 -5.430 1.969 1.00 0.00 C ATOM 404 CG MET A 26 -13.888 -6.240 0.664 1.00 0.00 C ATOM 405 SD MET A 26 -12.939 -7.786 0.796 1.00 0.00 S ATOM 406 CE MET A 26 -11.519 -7.168 1.737 1.00 0.00 C ATOM 0 H MET A 26 -15.760 -4.868 3.902 1.00 0.00 H new ATOM 0 HA MET A 26 -14.314 -7.332 2.938 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.418 -4.524 1.873 1.00 0.00 H new ATOM 0 HB3 MET A 26 -12.792 -5.115 2.153 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.928 -6.468 0.429 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.499 -5.641 -0.159 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.819 -7.984 1.917 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.022 -6.381 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.861 -6.767 2.691 1.00 0.00 H new ATOM 416 N PRO A 27 -12.800 -7.076 4.853 1.00 0.00 N ATOM 417 CA PRO A 27 -11.886 -6.960 6.030 1.00 0.00 C ATOM 418 C PRO A 27 -10.603 -6.187 5.685 1.00 0.00 C ATOM 419 O PRO A 27 -9.519 -6.669 5.942 1.00 0.00 O ATOM 420 CB PRO A 27 -11.526 -8.411 6.339 1.00 0.00 C ATOM 421 CG PRO A 27 -11.712 -9.126 5.041 1.00 0.00 C ATOM 422 CD PRO A 27 -12.880 -8.464 4.368 1.00 0.00 C ATOM 0 HA PRO A 27 -12.354 -6.424 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.500 -8.498 6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.170 -8.823 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.816 -9.056 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.905 -10.186 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.803 -8.517 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.824 -8.934 4.644 1.00 0.00 H new ATOM 430 N ILE A 28 -10.704 -5.003 5.120 1.00 0.00 N ATOM 431 CA ILE A 28 -9.469 -4.211 4.766 1.00 0.00 C ATOM 432 C ILE A 28 -8.409 -5.130 4.133 1.00 0.00 C ATOM 433 O ILE A 28 -7.604 -5.725 4.823 1.00 0.00 O ATOM 434 CB ILE A 28 -8.949 -3.629 6.090 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.105 -3.056 6.930 1.00 0.00 C ATOM 436 CG2 ILE A 28 -7.948 -2.513 5.790 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.946 -2.089 6.088 1.00 0.00 C ATOM 0 H ILE A 28 -11.587 -4.548 4.887 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.690 -3.426 4.043 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.469 -4.428 6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.732 -3.867 7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.707 -2.538 7.803 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.576 -2.097 6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.114 -2.917 5.216 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.439 -1.729 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.760 -1.692 6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.318 -1.269 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.359 -2.619 5.229 1.00 0.00 H new ATOM 449 N LEU A 29 -8.413 -5.271 2.836 1.00 0.00 N ATOM 450 CA LEU A 29 -7.422 -6.182 2.192 1.00 0.00 C ATOM 451 C LEU A 29 -6.225 -5.413 1.631 1.00 0.00 C ATOM 452 O LEU A 29 -6.370 -4.505 0.837 1.00 0.00 O ATOM 453 CB LEU A 29 -8.197 -6.879 1.072 1.00 0.00 C ATOM 454 CG LEU A 29 -7.349 -8.004 0.488 1.00 0.00 C ATOM 455 CD1 LEU A 29 -7.025 -9.008 1.591 1.00 0.00 C ATOM 456 CD2 LEU A 29 -8.127 -8.710 -0.623 1.00 0.00 C ATOM 0 H LEU A 29 -9.054 -4.799 2.198 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.005 -6.889 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.134 -7.279 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.454 -6.162 0.293 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.427 -7.591 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.419 -9.816 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.473 -8.508 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.951 -9.418 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.519 -9.513 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.048 -9.126 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.369 -7.994 -1.409 1.00 0.00 H new ATOM 468 N ILE A 30 -5.037 -5.784 2.035 1.00 0.00 N ATOM 469 CA ILE A 30 -3.821 -5.094 1.523 1.00 0.00 C ATOM 470 C ILE A 30 -3.784 -5.181 -0.005 1.00 0.00 C ATOM 471 O ILE A 30 -4.159 -6.179 -0.588 1.00 0.00 O ATOM 472 CB ILE A 30 -2.645 -5.846 2.149 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.623 -5.579 3.655 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.328 -5.365 1.532 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.450 -6.328 4.287 1.00 0.00 C ATOM 0 H ILE A 30 -4.859 -6.537 2.699 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.796 -4.035 1.779 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.760 -6.914 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.530 -4.510 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.561 -5.903 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.496 -5.905 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.341 -5.550 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.209 -4.297 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.433 -6.139 5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.563 -7.397 4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.516 -5.983 3.843 1.00 0.00 H new ATOM 487 N SER A 31 -3.346 -4.142 -0.660 1.00 0.00 N ATOM 488 CA SER A 31 -3.301 -4.171 -2.151 1.00 0.00 C ATOM 489 C SER A 31 -1.889 -3.869 -2.661 1.00 0.00 C ATOM 490 O SER A 31 -1.517 -4.275 -3.745 1.00 0.00 O ATOM 491 CB SER A 31 -4.271 -3.074 -2.597 1.00 0.00 C ATOM 492 OG SER A 31 -5.113 -3.575 -3.625 1.00 0.00 O ATOM 0 H SER A 31 -3.018 -3.277 -0.231 1.00 0.00 H new ATOM 0 HA SER A 31 -3.572 -5.151 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.872 -2.739 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.716 -2.208 -2.957 1.00 0.00 H new ATOM 0 HG SER A 31 -5.623 -2.837 -4.019 1.00 0.00 H new ATOM 498 N LYS A 32 -1.101 -3.158 -1.903 1.00 0.00 N ATOM 499 CA LYS A 32 0.276 -2.838 -2.371 1.00 0.00 C ATOM 500 C LYS A 32 1.269 -2.911 -1.212 1.00 0.00 C ATOM 501 O LYS A 32 1.323 -2.037 -0.369 1.00 0.00 O ATOM 502 CB LYS A 32 0.187 -1.411 -2.909 1.00 0.00 C ATOM 503 CG LYS A 32 0.777 -1.355 -4.319 1.00 0.00 C ATOM 504 CD LYS A 32 1.618 -0.086 -4.471 1.00 0.00 C ATOM 505 CE LYS A 32 0.742 1.144 -4.210 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.260 1.141 -5.313 1.00 0.00 N ATOM 0 H LYS A 32 -1.349 -2.787 -0.986 1.00 0.00 H new ATOM 0 HA LYS A 32 0.625 -3.542 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.852 -1.082 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.726 -0.730 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.392 -2.236 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.023 -1.365 -5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.454 -0.105 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.043 -0.037 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.257 1.084 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.334 2.059 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.643 2.100 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.196 0.834 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.034 0.487 -5.078 1.00 0.00 H new ATOM 520 N ILE A 33 2.066 -3.942 -1.170 1.00 0.00 N ATOM 521 CA ILE A 33 3.067 -4.066 -0.075 1.00 0.00 C ATOM 522 C ILE A 33 4.374 -3.401 -0.514 1.00 0.00 C ATOM 523 O ILE A 33 5.015 -3.827 -1.453 1.00 0.00 O ATOM 524 CB ILE A 33 3.239 -5.577 0.132 1.00 0.00 C ATOM 525 CG1 ILE A 33 2.010 -6.124 0.854 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.478 -5.865 0.982 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.866 -5.437 2.214 1.00 0.00 C ATOM 0 H ILE A 33 2.067 -4.705 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 33 2.761 -3.579 0.851 1.00 0.00 H new ATOM 0 HB ILE A 33 3.356 -6.054 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.117 -5.954 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.104 -7.202 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.584 -6.941 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.363 -5.474 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.371 -5.385 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.988 -5.828 2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.755 -5.630 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.752 -4.363 2.069 1.00 0.00 H new ATOM 539 N PHE A 34 4.765 -2.356 0.157 1.00 0.00 N ATOM 540 CA PHE A 34 6.024 -1.657 -0.222 1.00 0.00 C ATOM 541 C PHE A 34 7.231 -2.469 0.255 1.00 0.00 C ATOM 542 O PHE A 34 7.250 -2.981 1.357 1.00 0.00 O ATOM 543 CB PHE A 34 5.957 -0.309 0.496 1.00 0.00 C ATOM 544 CG PHE A 34 5.008 0.618 -0.231 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.638 0.325 -0.294 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.502 1.776 -0.842 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.768 1.190 -0.968 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.632 2.639 -1.516 1.00 0.00 C ATOM 549 CZ PHE A 34 3.265 2.347 -1.579 1.00 0.00 C ATOM 0 H PHE A 34 4.268 -1.955 0.952 1.00 0.00 H new ATOM 0 HA PHE A 34 6.129 -1.534 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.623 -0.451 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.950 0.137 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.254 -0.568 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.557 2.004 -0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.713 0.965 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.016 3.531 -1.988 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.594 3.014 -2.099 1.00 0.00 H new ATOM 559 N LYS A 35 8.236 -2.600 -0.568 1.00 0.00 N ATOM 560 CA LYS A 35 9.433 -3.391 -0.158 1.00 0.00 C ATOM 561 C LYS A 35 10.383 -2.542 0.688 1.00 0.00 C ATOM 562 O LYS A 35 10.252 -1.337 0.771 1.00 0.00 O ATOM 563 CB LYS A 35 10.104 -3.809 -1.468 1.00 0.00 C ATOM 564 CG LYS A 35 10.582 -2.565 -2.222 1.00 0.00 C ATOM 565 CD LYS A 35 12.076 -2.355 -1.966 1.00 0.00 C ATOM 566 CE LYS A 35 12.329 -0.890 -1.607 1.00 0.00 C ATOM 567 NZ LYS A 35 12.754 -0.253 -2.884 1.00 0.00 N ATOM 0 H LYS A 35 8.281 -2.195 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 35 9.160 -4.251 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.948 -4.468 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.403 -4.372 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.398 -2.681 -3.290 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.020 -1.690 -1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.412 -3.003 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.650 -2.628 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.430 -0.419 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.101 -0.798 -0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.947 0.756 -2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.616 -0.718 -3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.997 -0.351 -3.590 1.00 0.00 H new ATOM 581 N GLY A 36 11.338 -3.168 1.318 1.00 0.00 N ATOM 582 CA GLY A 36 12.298 -2.409 2.163 1.00 0.00 C ATOM 583 C GLY A 36 11.549 -1.788 3.342 1.00 0.00 C ATOM 584 O GLY A 36 11.930 -0.754 3.854 1.00 0.00 O ATOM 0 H GLY A 36 11.494 -4.175 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.085 -3.071 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.783 -1.630 1.574 1.00 0.00 H new ATOM 588 N LEU A 37 10.484 -2.407 3.777 1.00 0.00 N ATOM 589 CA LEU A 37 9.719 -1.838 4.921 1.00 0.00 C ATOM 590 C LEU A 37 9.304 -2.941 5.902 1.00 0.00 C ATOM 591 O LEU A 37 9.283 -4.110 5.572 1.00 0.00 O ATOM 592 CB LEU A 37 8.497 -1.173 4.291 1.00 0.00 C ATOM 593 CG LEU A 37 8.883 0.232 3.819 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.468 0.415 2.359 1.00 0.00 C ATOM 595 CD2 LEU A 37 8.177 1.277 4.684 1.00 0.00 C ATOM 0 H LEU A 37 10.114 -3.276 3.392 1.00 0.00 H new ATOM 0 HA LEU A 37 10.313 -1.128 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.136 -1.767 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.684 -1.117 5.014 1.00 0.00 H new ATOM 0 HG LEU A 37 9.962 0.357 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.744 1.415 2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.975 -0.326 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.389 0.287 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.453 2.276 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.098 1.151 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.476 1.150 5.724 1.00 0.00 H new ATOM 607 N ALA A 38 8.990 -2.568 7.115 1.00 0.00 N ATOM 608 CA ALA A 38 8.591 -3.570 8.152 1.00 0.00 C ATOM 609 C ALA A 38 7.615 -4.611 7.596 1.00 0.00 C ATOM 610 O ALA A 38 7.945 -5.772 7.459 1.00 0.00 O ATOM 611 CB ALA A 38 7.904 -2.748 9.242 1.00 0.00 C ATOM 0 H ALA A 38 8.993 -1.600 7.437 1.00 0.00 H new ATOM 0 HA ALA A 38 9.456 -4.126 8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.578 -3.409 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.604 -2.012 9.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.039 -2.236 8.821 1.00 0.00 H new ATOM 617 N ALA A 39 6.410 -4.207 7.306 1.00 0.00 N ATOM 618 CA ALA A 39 5.390 -5.168 6.788 1.00 0.00 C ATOM 619 C ALA A 39 5.971 -6.069 5.694 1.00 0.00 C ATOM 620 O ALA A 39 5.798 -7.271 5.715 1.00 0.00 O ATOM 621 CB ALA A 39 4.277 -4.290 6.223 1.00 0.00 C ATOM 0 H ALA A 39 6.083 -3.246 7.406 1.00 0.00 H new ATOM 0 HA ALA A 39 5.036 -5.838 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.485 -4.921 5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.872 -3.661 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.678 -3.660 5.429 1.00 0.00 H new ATOM 627 N ASP A 40 6.654 -5.507 4.738 1.00 0.00 N ATOM 628 CA ASP A 40 7.231 -6.352 3.654 1.00 0.00 C ATOM 629 C ASP A 40 8.594 -6.920 4.070 1.00 0.00 C ATOM 630 O ASP A 40 9.263 -7.570 3.292 1.00 0.00 O ATOM 631 CB ASP A 40 7.380 -5.417 2.455 1.00 0.00 C ATOM 632 CG ASP A 40 7.961 -6.200 1.276 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.175 -6.297 1.194 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.184 -6.692 0.475 1.00 0.00 O ATOM 0 H ASP A 40 6.838 -4.507 4.659 1.00 0.00 H new ATOM 0 HA ASP A 40 6.596 -7.209 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.412 -4.995 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.032 -4.581 2.709 1.00 0.00 H new ATOM 639 N GLN A 41 9.014 -6.693 5.288 1.00 0.00 N ATOM 640 CA GLN A 41 10.331 -7.237 5.730 1.00 0.00 C ATOM 641 C GLN A 41 10.139 -8.427 6.680 1.00 0.00 C ATOM 642 O GLN A 41 11.094 -9.045 7.107 1.00 0.00 O ATOM 643 CB GLN A 41 11.017 -6.083 6.455 1.00 0.00 C ATOM 644 CG GLN A 41 11.778 -5.222 5.444 1.00 0.00 C ATOM 645 CD GLN A 41 12.373 -4.006 6.156 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.340 -2.908 5.637 1.00 0.00 O ATOM 647 NE2 GLN A 41 12.919 -4.156 7.331 1.00 0.00 N ATOM 0 H GLN A 41 8.505 -6.158 5.991 1.00 0.00 H new ATOM 0 HA GLN A 41 10.920 -7.602 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.277 -5.478 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.703 -6.470 7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.570 -5.806 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.107 -4.899 4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.947 -5.078 7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.318 -3.351 7.814 1.00 0.00 H new ATOM 656 N THR A 42 8.919 -8.757 7.018 1.00 0.00 N ATOM 657 CA THR A 42 8.691 -9.908 7.940 1.00 0.00 C ATOM 658 C THR A 42 8.296 -11.163 7.151 1.00 0.00 C ATOM 659 O THR A 42 7.819 -12.131 7.710 1.00 0.00 O ATOM 660 CB THR A 42 7.549 -9.462 8.857 1.00 0.00 C ATOM 661 OG1 THR A 42 7.252 -10.502 9.778 1.00 0.00 O ATOM 662 CG2 THR A 42 6.307 -9.149 8.021 1.00 0.00 C ATOM 0 H THR A 42 8.075 -8.282 6.697 1.00 0.00 H new ATOM 0 HA THR A 42 9.588 -10.166 8.502 1.00 0.00 H new ATOM 0 HB THR A 42 7.850 -8.567 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.218 -11.359 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.497 -8.832 8.678 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.535 -8.351 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.002 -10.041 7.474 1.00 0.00 H new ATOM 670 N GLU A 43 8.496 -11.161 5.856 1.00 0.00 N ATOM 671 CA GLU A 43 8.138 -12.357 5.034 1.00 0.00 C ATOM 672 C GLU A 43 6.731 -12.859 5.382 1.00 0.00 C ATOM 673 O GLU A 43 6.483 -14.048 5.439 1.00 0.00 O ATOM 674 CB GLU A 43 9.186 -13.409 5.397 1.00 0.00 C ATOM 675 CG GLU A 43 10.080 -13.676 4.185 1.00 0.00 C ATOM 676 CD GLU A 43 11.302 -14.487 4.619 1.00 0.00 C ATOM 677 OE1 GLU A 43 11.113 -15.575 5.139 1.00 0.00 O ATOM 678 OE2 GLU A 43 12.407 -14.006 4.425 1.00 0.00 O ATOM 0 H GLU A 43 8.893 -10.381 5.332 1.00 0.00 H new ATOM 0 HA GLU A 43 8.130 -12.131 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.788 -13.063 6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.698 -14.331 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.523 -14.219 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.396 -12.733 3.739 1.00 0.00 H new ATOM 685 N ALA A 44 5.808 -11.965 5.611 1.00 0.00 N ATOM 686 CA ALA A 44 4.421 -12.398 5.952 1.00 0.00 C ATOM 687 C ALA A 44 3.409 -11.338 5.517 1.00 0.00 C ATOM 688 O ALA A 44 2.401 -11.646 4.913 1.00 0.00 O ATOM 689 CB ALA A 44 4.412 -12.555 7.467 1.00 0.00 C ATOM 0 H ALA A 44 5.953 -10.956 5.577 1.00 0.00 H new ATOM 0 HA ALA A 44 4.146 -13.323 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.422 -12.873 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.148 -13.304 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.659 -11.601 7.933 1.00 0.00 H new ATOM 695 N LEU A 45 3.659 -10.090 5.807 1.00 0.00 N ATOM 696 CA LEU A 45 2.694 -9.042 5.380 1.00 0.00 C ATOM 697 C LEU A 45 2.791 -8.877 3.865 1.00 0.00 C ATOM 698 O LEU A 45 3.509 -8.040 3.353 1.00 0.00 O ATOM 699 CB LEU A 45 3.103 -7.768 6.116 1.00 0.00 C ATOM 700 CG LEU A 45 1.950 -7.336 7.025 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.504 -6.679 8.286 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.056 -6.347 6.282 1.00 0.00 C ATOM 0 H LEU A 45 4.478 -9.756 6.314 1.00 0.00 H new ATOM 0 HA LEU A 45 1.660 -9.293 5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.003 -7.944 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.338 -6.978 5.403 1.00 0.00 H new ATOM 0 HG LEU A 45 1.366 -8.213 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.679 -6.373 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.136 -7.390 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.093 -5.804 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.235 -6.040 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.640 -5.472 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.653 -6.822 5.387 1.00 0.00 H new ATOM 714 N PHE A 46 2.069 -9.692 3.154 1.00 0.00 N ATOM 715 CA PHE A 46 2.089 -9.638 1.657 1.00 0.00 C ATOM 716 C PHE A 46 0.728 -9.169 1.141 1.00 0.00 C ATOM 717 O PHE A 46 -0.272 -9.305 1.809 1.00 0.00 O ATOM 718 CB PHE A 46 2.398 -11.077 1.144 1.00 0.00 C ATOM 719 CG PHE A 46 2.004 -12.152 2.145 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.664 -12.314 2.513 1.00 0.00 C ATOM 721 CD2 PHE A 46 2.986 -12.983 2.701 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.307 -13.301 3.438 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.627 -13.972 3.622 1.00 0.00 C ATOM 724 CZ PHE A 46 1.289 -14.130 3.989 1.00 0.00 C ATOM 0 H PHE A 46 1.455 -10.406 3.546 1.00 0.00 H new ATOM 0 HA PHE A 46 2.845 -8.938 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.868 -11.246 0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.463 -11.161 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.095 -11.677 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.021 -12.859 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.727 -13.423 3.726 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.384 -14.613 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.012 -14.894 4.700 1.00 0.00 H new ATOM 734 N VAL A 47 0.670 -8.611 -0.041 1.00 0.00 N ATOM 735 CA VAL A 47 -0.647 -8.143 -0.568 1.00 0.00 C ATOM 736 C VAL A 47 -1.669 -9.280 -0.478 1.00 0.00 C ATOM 737 O VAL A 47 -1.313 -10.428 -0.303 1.00 0.00 O ATOM 738 CB VAL A 47 -0.393 -7.751 -2.025 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.711 -7.323 -2.670 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.599 -6.584 -2.080 1.00 0.00 C ATOM 0 H VAL A 47 1.468 -8.460 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.047 -7.303 0.000 1.00 0.00 H new ATOM 0 HB VAL A 47 0.021 -8.604 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.534 -7.043 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.420 -8.150 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.121 -6.470 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.778 -6.307 -3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.186 -5.730 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.539 -6.884 -1.617 1.00 0.00 H new ATOM 750 N GLY A 48 -2.932 -8.976 -0.576 1.00 0.00 N ATOM 751 CA GLY A 48 -3.956 -10.051 -0.471 1.00 0.00 C ATOM 752 C GLY A 48 -4.093 -10.456 1.000 1.00 0.00 C ATOM 753 O GLY A 48 -4.465 -11.568 1.318 1.00 0.00 O ATOM 0 H GLY A 48 -3.298 -8.035 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.913 -9.700 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.665 -10.911 -1.074 1.00 0.00 H new ATOM 757 N ASP A 49 -3.785 -9.556 1.897 1.00 0.00 N ATOM 758 CA ASP A 49 -3.884 -9.877 3.351 1.00 0.00 C ATOM 759 C ASP A 49 -4.996 -9.057 4.008 1.00 0.00 C ATOM 760 O ASP A 49 -4.826 -7.892 4.309 1.00 0.00 O ATOM 761 CB ASP A 49 -2.527 -9.477 3.928 1.00 0.00 C ATOM 762 CG ASP A 49 -1.523 -10.612 3.728 1.00 0.00 C ATOM 763 OD1 ASP A 49 -1.925 -11.663 3.255 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.366 -10.410 4.059 1.00 0.00 O ATOM 0 H ASP A 49 -3.468 -8.610 1.684 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.120 -10.927 3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.167 -8.571 3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.626 -9.250 4.989 1.00 0.00 H new ATOM 769 N ALA A 50 -6.134 -9.654 4.233 1.00 0.00 N ATOM 770 CA ALA A 50 -7.253 -8.900 4.875 1.00 0.00 C ATOM 771 C ALA A 50 -7.039 -8.815 6.388 1.00 0.00 C ATOM 772 O ALA A 50 -7.140 -9.797 7.096 1.00 0.00 O ATOM 773 CB ALA A 50 -8.509 -9.697 4.539 1.00 0.00 C ATOM 0 H ALA A 50 -6.339 -10.626 4.002 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.322 -7.873 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.379 -9.207 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.628 -9.749 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.419 -10.705 4.943 1.00 0.00 H new ATOM 779 N ILE A 51 -6.740 -7.643 6.886 1.00 0.00 N ATOM 780 CA ILE A 51 -6.518 -7.490 8.352 1.00 0.00 C ATOM 781 C ILE A 51 -7.856 -7.447 9.090 1.00 0.00 C ATOM 782 O ILE A 51 -8.798 -6.818 8.650 1.00 0.00 O ATOM 783 CB ILE A 51 -5.796 -6.153 8.512 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.476 -6.183 7.734 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.514 -5.910 9.997 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.707 -4.882 7.981 1.00 0.00 C ATOM 0 H ILE A 51 -6.640 -6.787 6.340 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.945 -8.321 8.763 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.421 -5.350 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.876 -7.037 8.048 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.672 -6.305 6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.999 -4.957 10.118 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.455 -5.886 10.547 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.887 -6.713 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.768 -4.904 7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.307 -4.036 7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.498 -4.779 9.046 1.00 0.00 H new ATOM 798 N LEU A 52 -7.946 -8.101 10.214 1.00 0.00 N ATOM 799 CA LEU A 52 -9.225 -8.081 10.980 1.00 0.00 C ATOM 800 C LEU A 52 -8.956 -7.853 12.474 1.00 0.00 C ATOM 801 O LEU A 52 -9.818 -8.057 13.305 1.00 0.00 O ATOM 802 CB LEU A 52 -9.856 -9.451 10.735 1.00 0.00 C ATOM 803 CG LEU A 52 -10.545 -9.443 9.367 1.00 0.00 C ATOM 804 CD1 LEU A 52 -9.590 -10.004 8.311 1.00 0.00 C ATOM 805 CD2 LEU A 52 -11.810 -10.298 9.418 1.00 0.00 C ATOM 0 H LEU A 52 -7.194 -8.646 10.635 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.883 -7.273 10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.093 -10.229 10.768 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.578 -9.679 11.519 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.815 -8.419 9.107 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.080 -9.998 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.692 -9.388 8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.317 -11.026 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.295 -10.288 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.547 -11.322 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.492 -9.894 10.166 1.00 0.00 H new ATOM 817 N SER A 53 -7.768 -7.412 12.815 1.00 0.00 N ATOM 818 CA SER A 53 -7.423 -7.143 14.246 1.00 0.00 C ATOM 819 C SER A 53 -5.949 -6.748 14.344 1.00 0.00 C ATOM 820 O SER A 53 -5.066 -7.580 14.262 1.00 0.00 O ATOM 821 CB SER A 53 -7.668 -8.447 15.002 1.00 0.00 C ATOM 822 OG SER A 53 -7.103 -8.352 16.302 1.00 0.00 O ATOM 0 H SER A 53 -7.014 -7.225 12.154 1.00 0.00 H new ATOM 0 HA SER A 53 -8.022 -6.332 14.661 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.738 -8.644 15.072 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.224 -9.283 14.461 1.00 0.00 H new ATOM 0 HG SER A 53 -7.261 -9.188 16.789 1.00 0.00 H new ATOM 828 N VAL A 54 -5.675 -5.487 14.508 1.00 0.00 N ATOM 829 CA VAL A 54 -4.253 -5.041 14.597 1.00 0.00 C ATOM 830 C VAL A 54 -3.843 -4.800 16.058 1.00 0.00 C ATOM 831 O VAL A 54 -4.429 -4.000 16.757 1.00 0.00 O ATOM 832 CB VAL A 54 -4.184 -3.732 13.801 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.581 -3.978 12.344 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.135 -2.706 14.411 1.00 0.00 C ATOM 0 H VAL A 54 -6.370 -4.744 14.585 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.573 -5.796 14.202 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.162 -3.355 13.838 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.528 -3.041 11.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.899 -4.703 11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.599 -4.366 12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.082 -1.778 13.842 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.154 -3.092 14.382 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.849 -2.514 15.445 1.00 0.00 H new ATOM 844 N ASN A 55 -2.826 -5.483 16.510 1.00 0.00 N ATOM 845 CA ASN A 55 -2.342 -5.305 17.915 1.00 0.00 C ATOM 846 C ASN A 55 -3.455 -5.583 18.931 1.00 0.00 C ATOM 847 O ASN A 55 -3.450 -5.056 20.026 1.00 0.00 O ATOM 848 CB ASN A 55 -1.887 -3.848 18.002 1.00 0.00 C ATOM 849 CG ASN A 55 -0.852 -3.570 16.909 1.00 0.00 C ATOM 850 OD1 ASN A 55 -0.282 -4.485 16.350 1.00 0.00 O ATOM 851 ND2 ASN A 55 -0.586 -2.337 16.578 1.00 0.00 N ATOM 0 H ASN A 55 -2.302 -6.165 15.961 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.538 -6.003 18.149 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.742 -3.182 17.886 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.458 -3.648 18.984 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.101 -2.141 15.850 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.065 -1.568 17.047 1.00 0.00 H new ATOM 858 N GLY A 56 -4.396 -6.421 18.594 1.00 0.00 N ATOM 859 CA GLY A 56 -5.487 -6.740 19.560 1.00 0.00 C ATOM 860 C GLY A 56 -6.673 -5.790 19.366 1.00 0.00 C ATOM 861 O GLY A 56 -7.476 -5.601 20.259 1.00 0.00 O ATOM 0 H GLY A 56 -4.458 -6.898 17.694 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.813 -7.771 19.421 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.112 -6.659 20.580 1.00 0.00 H new ATOM 865 N GLU A 57 -6.802 -5.198 18.211 1.00 0.00 N ATOM 866 CA GLU A 57 -7.954 -4.276 17.980 1.00 0.00 C ATOM 867 C GLU A 57 -8.856 -4.849 16.889 1.00 0.00 C ATOM 868 O GLU A 57 -8.630 -4.627 15.719 1.00 0.00 O ATOM 869 CB GLU A 57 -7.333 -2.958 17.519 1.00 0.00 C ATOM 870 CG GLU A 57 -7.074 -2.062 18.734 1.00 0.00 C ATOM 871 CD GLU A 57 -6.109 -0.941 18.346 1.00 0.00 C ATOM 872 OE1 GLU A 57 -4.912 -1.172 18.396 1.00 0.00 O ATOM 873 OE2 GLU A 57 -6.582 0.130 18.006 1.00 0.00 O ATOM 0 H GLU A 57 -6.166 -5.310 17.421 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.563 -4.141 18.874 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.400 -3.149 16.989 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.000 -2.455 16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.012 -1.640 19.094 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.655 -2.650 19.550 1.00 0.00 H new ATOM 880 N ASP A 58 -9.871 -5.593 17.268 1.00 0.00 N ATOM 881 CA ASP A 58 -10.797 -6.208 16.260 1.00 0.00 C ATOM 882 C ASP A 58 -11.124 -5.228 15.129 1.00 0.00 C ATOM 883 O ASP A 58 -11.938 -4.338 15.273 1.00 0.00 O ATOM 884 CB ASP A 58 -12.061 -6.554 17.049 1.00 0.00 C ATOM 885 CG ASP A 58 -12.391 -8.035 16.860 1.00 0.00 C ATOM 886 OD1 ASP A 58 -11.622 -8.859 17.326 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.410 -8.321 16.251 1.00 0.00 O ATOM 0 H ASP A 58 -10.099 -5.802 18.240 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.349 -7.080 15.784 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.913 -6.335 18.107 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.894 -5.939 16.710 1.00 0.00 H new ATOM 892 N LEU A 59 -10.484 -5.393 14.006 1.00 0.00 N ATOM 893 CA LEU A 59 -10.733 -4.485 12.853 1.00 0.00 C ATOM 894 C LEU A 59 -11.903 -4.999 12.003 1.00 0.00 C ATOM 895 O LEU A 59 -12.415 -4.299 11.151 1.00 0.00 O ATOM 896 CB LEU A 59 -9.431 -4.518 12.051 1.00 0.00 C ATOM 897 CG LEU A 59 -8.844 -3.109 11.971 1.00 0.00 C ATOM 898 CD1 LEU A 59 -9.829 -2.192 11.245 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.589 -2.578 13.383 1.00 0.00 C ATOM 0 H LEU A 59 -9.793 -6.124 13.836 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.000 -3.477 13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.718 -5.194 12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.619 -4.902 11.048 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.902 -3.136 11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.414 -1.186 11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.005 -2.571 10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.771 -2.164 11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.170 -1.573 13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.528 -2.548 13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.886 -3.234 13.897 1.00 0.00 H new ATOM 911 N SER A 60 -12.330 -6.215 12.221 1.00 0.00 N ATOM 912 CA SER A 60 -13.462 -6.761 11.420 1.00 0.00 C ATOM 913 C SER A 60 -14.664 -5.813 11.477 1.00 0.00 C ATOM 914 O SER A 60 -15.429 -5.710 10.539 1.00 0.00 O ATOM 915 CB SER A 60 -13.803 -8.097 12.081 1.00 0.00 C ATOM 916 OG SER A 60 -12.662 -8.944 12.052 1.00 0.00 O ATOM 0 H SER A 60 -11.944 -6.852 12.918 1.00 0.00 H new ATOM 0 HA SER A 60 -13.203 -6.877 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 60 -14.123 -7.935 13.110 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.635 -8.571 11.560 1.00 0.00 H new ATOM 0 HG SER A 60 -12.879 -9.800 12.477 1.00 0.00 H new ATOM 922 N SER A 61 -14.837 -5.120 12.570 1.00 0.00 N ATOM 923 CA SER A 61 -15.993 -4.184 12.681 1.00 0.00 C ATOM 924 C SER A 61 -15.521 -2.732 12.554 1.00 0.00 C ATOM 925 O SER A 61 -16.073 -1.835 13.159 1.00 0.00 O ATOM 926 CB SER A 61 -16.575 -4.436 14.073 1.00 0.00 C ATOM 927 OG SER A 61 -17.781 -5.178 13.953 1.00 0.00 O ATOM 0 H SER A 61 -14.230 -5.161 13.389 1.00 0.00 H new ATOM 0 HA SER A 61 -16.728 -4.347 11.893 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.858 -4.983 14.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.767 -3.488 14.576 1.00 0.00 H new ATOM 0 HG SER A 61 -18.154 -5.342 14.844 1.00 0.00 H new ATOM 933 N ALA A 62 -14.505 -2.493 11.768 1.00 0.00 N ATOM 934 CA ALA A 62 -14.005 -1.098 11.602 1.00 0.00 C ATOM 935 C ALA A 62 -13.991 -0.715 10.123 1.00 0.00 C ATOM 936 O ALA A 62 -13.720 -1.529 9.263 1.00 0.00 O ATOM 937 CB ALA A 62 -12.583 -1.114 12.158 1.00 0.00 C ATOM 0 H ALA A 62 -14.001 -3.202 11.235 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.636 -0.373 12.116 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.147 -0.119 12.070 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.606 -1.409 13.207 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.980 -1.825 11.594 1.00 0.00 H new ATOM 943 N THR A 63 -14.272 0.522 9.819 1.00 0.00 N ATOM 944 CA THR A 63 -14.270 0.961 8.395 1.00 0.00 C ATOM 945 C THR A 63 -12.831 1.146 7.911 1.00 0.00 C ATOM 946 O THR A 63 -11.905 1.180 8.697 1.00 0.00 O ATOM 947 CB THR A 63 -15.024 2.291 8.394 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.404 3.186 9.306 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.474 2.048 8.817 1.00 0.00 C ATOM 0 H THR A 63 -14.503 1.249 10.496 1.00 0.00 H new ATOM 0 HA THR A 63 -14.736 0.235 7.729 1.00 0.00 H new ATOM 0 HB THR A 63 -15.004 2.725 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.885 4.040 9.305 1.00 0.00 H new ATOM 0 HG21 THR A 63 -17.016 2.994 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.947 1.359 8.117 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.494 1.618 9.818 1.00 0.00 H new ATOM 957 N HIS A 64 -12.628 1.259 6.624 1.00 0.00 N ATOM 958 CA HIS A 64 -11.238 1.433 6.110 1.00 0.00 C ATOM 959 C HIS A 64 -10.544 2.586 6.848 1.00 0.00 C ATOM 960 O HIS A 64 -9.336 2.622 6.959 1.00 0.00 O ATOM 961 CB HIS A 64 -11.382 1.741 4.616 1.00 0.00 C ATOM 962 CG HIS A 64 -10.023 2.036 4.040 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.453 1.262 3.042 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.105 3.011 4.328 1.00 0.00 C ATOM 965 CE1 HIS A 64 -8.241 1.782 2.772 1.00 0.00 C ATOM 966 NE2 HIS A 64 -7.980 2.850 3.527 1.00 0.00 N ATOM 0 H HIS A 64 -13.358 1.239 5.912 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.628 0.544 6.269 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.833 0.894 4.099 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.045 2.594 4.470 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.874 0.448 2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.235 3.788 5.066 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.562 1.383 2.033 1.00 0.00 H new ATOM 974 N ASP A 65 -11.297 3.514 7.371 1.00 0.00 N ATOM 975 CA ASP A 65 -10.668 4.640 8.115 1.00 0.00 C ATOM 976 C ASP A 65 -10.241 4.148 9.497 1.00 0.00 C ATOM 977 O ASP A 65 -9.151 4.421 9.959 1.00 0.00 O ATOM 978 CB ASP A 65 -11.759 5.705 8.231 1.00 0.00 C ATOM 979 CG ASP A 65 -11.847 6.487 6.919 1.00 0.00 C ATOM 980 OD1 ASP A 65 -12.424 5.965 5.979 1.00 0.00 O ATOM 981 OD2 ASP A 65 -11.335 7.594 6.876 1.00 0.00 O ATOM 0 H ASP A 65 -12.315 3.541 7.316 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.782 5.035 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.718 5.237 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.536 6.381 9.056 1.00 0.00 H new ATOM 986 N GLU A 66 -11.089 3.402 10.151 1.00 0.00 N ATOM 987 CA GLU A 66 -10.734 2.865 11.493 1.00 0.00 C ATOM 988 C GLU A 66 -9.588 1.858 11.354 1.00 0.00 C ATOM 989 O GLU A 66 -8.864 1.589 12.293 1.00 0.00 O ATOM 990 CB GLU A 66 -12.006 2.174 11.987 1.00 0.00 C ATOM 991 CG GLU A 66 -12.951 3.217 12.585 1.00 0.00 C ATOM 992 CD GLU A 66 -12.305 3.839 13.824 1.00 0.00 C ATOM 993 OE1 GLU A 66 -12.458 3.273 14.894 1.00 0.00 O ATOM 994 OE2 GLU A 66 -11.669 4.870 13.683 1.00 0.00 O ATOM 0 H GLU A 66 -12.015 3.141 9.812 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.401 3.639 12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.495 1.655 11.163 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.757 1.421 12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.169 3.990 11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.901 2.753 12.851 1.00 0.00 H new ATOM 1001 N ALA A 67 -9.421 1.300 10.184 1.00 0.00 N ATOM 1002 CA ALA A 67 -8.327 0.309 9.969 1.00 0.00 C ATOM 1003 C ALA A 67 -6.995 1.025 9.741 1.00 0.00 C ATOM 1004 O ALA A 67 -5.988 0.674 10.321 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.735 -0.455 8.709 1.00 0.00 C ATOM 0 H ALA A 67 -9.998 1.489 9.365 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.193 -0.347 10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.980 -1.207 8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.695 -0.943 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.820 0.240 7.874 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.978 2.021 8.898 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.700 2.746 8.636 1.00 0.00 C ATOM 1013 C VAL A 68 -5.244 3.449 9.914 1.00 0.00 C ATOM 1014 O VAL A 68 -4.066 3.628 10.151 1.00 0.00 O ATOM 1015 CB VAL A 68 -6.008 3.777 7.537 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.694 4.341 6.995 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.779 3.130 6.380 1.00 0.00 C ATOM 0 H VAL A 68 -7.788 2.363 8.381 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.904 2.070 8.324 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.618 4.570 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.906 5.073 6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.143 4.822 7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.095 3.531 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.985 3.879 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.182 2.327 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.719 2.723 6.752 1.00 0.00 H new ATOM 1027 N GLN A 69 -6.171 3.839 10.746 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.793 4.520 12.014 1.00 0.00 C ATOM 1029 C GLN A 69 -4.913 3.589 12.850 1.00 0.00 C ATOM 1030 O GLN A 69 -4.049 4.028 13.583 1.00 0.00 O ATOM 1031 CB GLN A 69 -7.120 4.796 12.723 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.849 5.365 14.116 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.654 6.652 14.310 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -7.168 7.732 14.036 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -8.872 6.584 14.775 1.00 0.00 N ATOM 0 H GLN A 69 -7.173 3.715 10.601 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.227 5.437 11.850 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.715 5.500 12.141 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.700 3.877 12.801 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.122 4.635 14.878 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.785 5.568 14.236 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.280 5.678 15.005 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.415 7.437 14.908 1.00 0.00 H new ATOM 1044 N ALA A 70 -5.119 2.303 12.738 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.289 1.347 13.515 1.00 0.00 C ATOM 1046 C ALA A 70 -2.892 1.259 12.899 1.00 0.00 C ATOM 1047 O ALA A 70 -1.907 1.079 13.587 1.00 0.00 O ATOM 1048 CB ALA A 70 -5.019 0.012 13.387 1.00 0.00 C ATOM 0 H ALA A 70 -5.828 1.877 12.141 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.162 1.644 14.556 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.472 -0.756 13.934 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.024 0.106 13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.083 -0.268 12.336 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.805 1.392 11.606 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.480 1.326 10.932 1.00 0.00 C ATOM 1056 C LEU A 71 -0.678 2.594 11.240 1.00 0.00 C ATOM 1057 O LEU A 71 0.538 2.590 11.230 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.800 1.235 9.437 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.033 -0.226 9.042 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -0.783 -1.049 9.353 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -3.221 -0.784 9.827 1.00 0.00 C ATOM 0 H LEU A 71 -3.599 1.544 10.984 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.881 0.480 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.686 1.828 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.979 1.652 8.854 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.245 -0.282 7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.952 -2.088 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.063 -0.653 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.567 -0.993 10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.387 -1.824 9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.011 -0.726 10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.113 -0.200 9.601 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.350 3.679 11.520 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.627 4.947 11.835 1.00 0.00 C ATOM 1075 C LYS A 72 -0.153 4.930 13.291 1.00 0.00 C ATOM 1076 O LYS A 72 0.952 5.330 13.598 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.656 6.057 11.617 1.00 0.00 C ATOM 1078 CG LYS A 72 -2.182 5.989 10.183 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.654 7.184 9.389 1.00 0.00 C ATOM 1080 CE LYS A 72 -2.702 8.299 9.392 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.713 8.817 7.995 1.00 0.00 N ATOM 0 H LYS A 72 -2.368 3.743 11.544 1.00 0.00 H new ATOM 0 HA LYS A 72 0.257 5.087 11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.479 5.948 12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.202 7.030 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.866 5.058 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.272 5.992 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.723 7.544 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.429 6.884 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.682 7.919 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.442 9.084 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.408 9.586 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.768 9.177 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.970 8.049 7.342 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.976 4.456 14.188 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.569 4.401 15.621 1.00 0.00 C ATOM 1097 C LYS A 73 0.029 3.026 15.935 1.00 0.00 C ATOM 1098 O LYS A 73 0.049 2.588 17.068 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.859 4.622 16.414 1.00 0.00 C ATOM 1100 CG LYS A 73 -1.546 4.618 17.912 1.00 0.00 C ATOM 1101 CD LYS A 73 -1.949 5.963 18.522 1.00 0.00 C ATOM 1102 CE LYS A 73 -2.730 5.724 19.817 1.00 0.00 C ATOM 1103 NZ LYS A 73 -3.227 7.070 20.218 1.00 0.00 N ATOM 0 H LYS A 73 -1.913 4.105 13.990 1.00 0.00 H new ATOM 0 HA LYS A 73 0.186 5.147 15.869 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.315 5.570 16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.580 3.839 16.181 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.084 3.808 18.404 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.483 4.438 18.072 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.062 6.562 18.726 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.559 6.526 17.816 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.555 5.029 19.659 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.093 5.292 20.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.773 6.990 21.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.419 7.708 20.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.836 7.453 19.467 1.00 0.00 H new ATOM 1117 N THR A 74 0.517 2.345 14.934 1.00 0.00 N ATOM 1118 CA THR A 74 1.116 1.001 15.160 1.00 0.00 C ATOM 1119 C THR A 74 2.215 1.085 16.223 1.00 0.00 C ATOM 1120 O THR A 74 3.093 1.921 16.154 1.00 0.00 O ATOM 1121 CB THR A 74 1.702 0.611 13.802 1.00 0.00 C ATOM 1122 OG1 THR A 74 0.653 0.504 12.850 1.00 0.00 O ATOM 1123 CG2 THR A 74 2.424 -0.730 13.917 1.00 0.00 C ATOM 0 H THR A 74 0.526 2.664 13.965 1.00 0.00 H new ATOM 0 HA THR A 74 0.390 0.271 15.519 1.00 0.00 H new ATOM 0 HB THR A 74 2.411 1.374 13.482 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.211 0.601 13.303 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.840 -1.004 12.947 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.229 -0.648 14.647 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.719 -1.496 14.239 1.00 0.00 H new ATOM 1131 N GLY A 75 2.171 0.229 17.208 1.00 0.00 N ATOM 1132 CA GLY A 75 3.214 0.268 18.274 1.00 0.00 C ATOM 1133 C GLY A 75 4.410 -0.593 17.855 1.00 0.00 C ATOM 1134 O GLY A 75 4.396 -1.229 16.820 1.00 0.00 O ATOM 0 H GLY A 75 1.460 -0.494 17.321 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.535 1.295 18.445 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.801 -0.098 19.214 1.00 0.00 H new ATOM 1138 N LYS A 76 5.445 -0.619 18.653 1.00 0.00 N ATOM 1139 CA LYS A 76 6.644 -1.437 18.303 1.00 0.00 C ATOM 1140 C LYS A 76 6.229 -2.866 17.926 1.00 0.00 C ATOM 1141 O LYS A 76 6.672 -3.404 16.930 1.00 0.00 O ATOM 1142 CB LYS A 76 7.529 -1.431 19.560 1.00 0.00 C ATOM 1143 CG LYS A 76 6.717 -1.820 20.804 1.00 0.00 C ATOM 1144 CD LYS A 76 7.186 -0.984 21.996 1.00 0.00 C ATOM 1145 CE LYS A 76 7.758 -1.906 23.075 1.00 0.00 C ATOM 1146 NZ LYS A 76 9.088 -1.322 23.410 1.00 0.00 N ATOM 0 H LYS A 76 5.512 -0.108 19.533 1.00 0.00 H new ATOM 0 HA LYS A 76 7.175 -1.032 17.442 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.358 -2.127 19.429 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.963 -0.441 19.699 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.655 -1.655 20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.843 -2.881 21.017 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.943 -0.268 21.676 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.353 -0.408 22.399 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.109 -1.940 23.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.856 -2.929 22.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.545 -1.899 24.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.685 -1.308 22.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.962 -0.351 23.760 1.00 0.00 H new ATOM 1160 N GLU A 77 5.370 -3.478 18.696 1.00 0.00 N ATOM 1161 CA GLU A 77 4.922 -4.861 18.357 1.00 0.00 C ATOM 1162 C GLU A 77 3.671 -4.781 17.482 1.00 0.00 C ATOM 1163 O GLU A 77 2.598 -4.452 17.949 1.00 0.00 O ATOM 1164 CB GLU A 77 4.598 -5.521 19.698 1.00 0.00 C ATOM 1165 CG GLU A 77 5.877 -5.659 20.526 1.00 0.00 C ATOM 1166 CD GLU A 77 6.880 -6.536 19.774 1.00 0.00 C ATOM 1167 OE1 GLU A 77 6.799 -7.746 19.909 1.00 0.00 O ATOM 1168 OE2 GLU A 77 7.714 -5.982 19.075 1.00 0.00 O ATOM 0 H GLU A 77 4.960 -3.083 19.542 1.00 0.00 H new ATOM 0 HA GLU A 77 5.676 -5.426 17.808 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.865 -4.924 20.240 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.152 -6.502 19.533 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.308 -4.676 20.716 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.649 -6.099 21.497 1.00 0.00 H new ATOM 1175 N VAL A 78 3.799 -5.053 16.214 1.00 0.00 N ATOM 1176 CA VAL A 78 2.614 -4.963 15.313 1.00 0.00 C ATOM 1177 C VAL A 78 1.980 -6.338 15.096 1.00 0.00 C ATOM 1178 O VAL A 78 2.208 -6.981 14.090 1.00 0.00 O ATOM 1179 CB VAL A 78 3.157 -4.424 13.989 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.990 -4.087 13.059 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.991 -3.164 14.236 1.00 0.00 C ATOM 0 H VAL A 78 4.670 -5.333 15.762 1.00 0.00 H new ATOM 0 HA VAL A 78 1.840 -4.324 15.738 1.00 0.00 H new ATOM 0 HB VAL A 78 3.788 -5.184 13.528 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.376 -3.703 12.115 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.403 -4.986 12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.358 -3.332 13.527 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.373 -2.789 13.287 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.368 -2.401 14.704 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.826 -3.404 14.894 1.00 0.00 H new ATOM 1191 N VAL A 79 1.162 -6.786 16.009 1.00 0.00 N ATOM 1192 CA VAL A 79 0.498 -8.107 15.815 1.00 0.00 C ATOM 1193 C VAL A 79 -0.662 -7.902 14.844 1.00 0.00 C ATOM 1194 O VAL A 79 -1.645 -7.275 15.174 1.00 0.00 O ATOM 1195 CB VAL A 79 -0.024 -8.525 17.198 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.445 -9.996 17.156 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.069 -8.339 18.256 1.00 0.00 C ATOM 0 H VAL A 79 0.926 -6.300 16.874 1.00 0.00 H new ATOM 0 HA VAL A 79 1.165 -8.870 15.413 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.879 -7.901 17.459 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.816 -10.296 18.136 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.232 -10.128 16.414 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.413 -10.613 16.888 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.686 -8.639 19.231 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.932 -8.954 18.000 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.368 -7.291 18.290 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.549 -8.378 13.636 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.646 -8.141 12.658 1.00 0.00 C ATOM 1209 C LEU A 80 -2.344 -9.434 12.236 1.00 0.00 C ATOM 1210 O LEU A 80 -1.787 -10.255 11.531 1.00 0.00 O ATOM 1211 CB LEU A 80 -0.944 -7.492 11.459 1.00 0.00 C ATOM 1212 CG LEU A 80 -1.021 -5.954 11.540 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.716 -5.461 12.960 1.00 0.00 C ATOM 1214 CD2 LEU A 80 0.007 -5.351 10.582 1.00 0.00 C ATOM 0 H LEU A 80 0.245 -8.914 13.286 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.433 -7.520 13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.099 -7.806 11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.406 -7.835 10.533 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.031 -5.645 11.269 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.777 -4.373 12.988 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.441 -5.884 13.655 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.288 -5.775 13.247 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.042 -4.263 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.006 -5.683 10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.210 -5.676 9.564 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.584 -9.593 12.622 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.345 -10.799 12.196 1.00 0.00 C ATOM 1228 C GLU A 81 -4.713 -10.597 10.730 1.00 0.00 C ATOM 1229 O GLU A 81 -5.289 -9.587 10.368 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.595 -10.826 13.077 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.392 -12.101 12.791 1.00 0.00 C ATOM 1232 CD GLU A 81 -7.800 -11.967 13.376 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -7.909 -11.557 14.519 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -8.745 -12.276 12.668 1.00 0.00 O ATOM 0 H GLU A 81 -4.099 -8.940 13.212 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.792 -11.733 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.313 -10.789 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.210 -9.948 12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.448 -12.273 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.887 -12.963 13.226 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.355 -11.507 9.872 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.654 -11.301 8.427 1.00 0.00 C ATOM 1243 C VAL A 82 -5.390 -12.496 7.825 1.00 0.00 C ATOM 1244 O VAL A 82 -5.163 -13.632 8.179 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.269 -11.111 7.766 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.287 -12.183 8.240 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.374 -11.217 6.247 1.00 0.00 C ATOM 0 H VAL A 82 -3.873 -12.376 10.103 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.312 -10.447 8.268 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.912 -10.121 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.320 -12.028 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.171 -12.117 9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.669 -13.169 7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.388 -11.080 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.760 -12.200 5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.049 -10.447 5.874 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.239 -12.229 6.874 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.969 -13.321 6.182 1.00 0.00 C ATOM 1259 C LYS A 83 -6.378 -13.444 4.779 1.00 0.00 C ATOM 1260 O LYS A 83 -6.830 -12.811 3.844 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.428 -12.868 6.128 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.248 -13.676 7.136 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.735 -13.560 6.793 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.420 -14.910 7.024 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.620 -14.884 6.142 1.00 0.00 N ATOM 0 H LYS A 83 -6.459 -11.289 6.544 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.892 -14.288 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.499 -11.804 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.827 -13.007 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.940 -14.721 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.067 -13.309 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.203 -12.793 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.856 -13.252 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.759 -15.738 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.700 -15.038 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.144 -15.776 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.233 -14.089 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.321 -14.768 5.153 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.340 -14.220 4.638 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.684 -14.352 3.306 1.00 0.00 C ATOM 1281 C TYR A 84 -5.671 -14.883 2.265 1.00 0.00 C ATOM 1282 O TYR A 84 -6.121 -16.009 2.339 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.538 -15.353 3.523 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.374 -15.113 2.564 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.438 -14.144 1.542 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.208 -15.880 2.711 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.348 -13.953 0.687 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.122 -15.686 1.853 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.191 -14.723 0.841 1.00 0.00 C ATOM 1290 OH TYR A 84 0.883 -14.532 -0.004 1.00 0.00 O ATOM 0 H TYR A 84 -4.917 -14.769 5.387 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.326 -13.393 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.182 -15.278 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.914 -16.367 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.330 -13.548 1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.150 -16.624 3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.400 -13.209 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.772 -16.281 1.972 1.00 0.00 H new ATOM 0 HH TYR A 84 1.474 -13.845 0.369 1.00 0.00 H new ATOM 1300 N MET A 85 -6.003 -14.084 1.290 1.00 0.00 N ATOM 1301 CA MET A 85 -6.953 -14.549 0.238 1.00 0.00 C ATOM 1302 C MET A 85 -6.172 -15.122 -0.948 1.00 0.00 C ATOM 1303 O MET A 85 -6.271 -14.643 -2.060 1.00 0.00 O ATOM 1304 CB MET A 85 -7.736 -13.305 -0.184 1.00 0.00 C ATOM 1305 CG MET A 85 -8.519 -12.764 1.015 1.00 0.00 C ATOM 1306 SD MET A 85 -10.286 -13.093 0.787 1.00 0.00 S ATOM 1307 CE MET A 85 -10.711 -11.518 0.003 1.00 0.00 C ATOM 0 H MET A 85 -5.659 -13.131 1.175 1.00 0.00 H new ATOM 0 HA MET A 85 -7.617 -15.334 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.054 -12.543 -0.560 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.419 -13.551 -0.997 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.167 -13.234 1.934 1.00 0.00 H new ATOM 0 HG3 MET A 85 -8.349 -11.692 1.119 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.764 -11.523 -0.277 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.525 -10.702 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.100 -11.379 -0.888 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.390 -16.142 -0.717 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.600 -16.742 -1.830 1.00 0.00 C ATOM 1319 C LYS A 86 -5.385 -17.884 -2.483 1.00 0.00 C ATOM 1320 O LYS A 86 -5.611 -17.812 -3.679 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.325 -17.274 -1.173 1.00 0.00 C ATOM 1322 CG LYS A 86 -2.221 -17.393 -2.225 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.326 -18.588 -1.895 1.00 0.00 C ATOM 1324 CE LYS A 86 0.034 -18.411 -2.575 1.00 0.00 C ATOM 1325 NZ LYS A 86 0.570 -19.793 -2.728 1.00 0.00 N ATOM 1326 OXT LYS A 86 -5.747 -18.808 -1.774 1.00 0.00 O ATOM 0 H LYS A 86 -5.264 -16.585 0.193 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.381 -16.018 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.009 -16.605 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.516 -18.246 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.660 -17.517 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.629 -16.478 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.197 -18.672 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.796 -19.512 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.069 -17.918 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.700 -17.794 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.502 -19.755 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.664 -20.235 -1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.081 -20.355 -3.312 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -10.943 2.855 -1.414 1.00 0.00 N ATOM 1342 CA LYS B 3 -9.987 3.606 -0.549 1.00 0.00 C ATOM 1343 C LYS B 3 -8.644 2.874 -0.485 1.00 0.00 C ATOM 1344 O LYS B 3 -8.530 1.817 0.103 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.644 3.641 0.832 1.00 0.00 C ATOM 1346 CG LYS B 3 -10.008 4.751 1.671 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.982 5.181 2.771 1.00 0.00 C ATOM 1348 CE LYS B 3 -10.256 6.085 3.769 1.00 0.00 C ATOM 1349 NZ LYS B 3 -11.113 7.301 3.876 1.00 0.00 N ATOM 0 HA LYS B 3 -9.785 4.607 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.716 3.814 0.732 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.521 2.679 1.329 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -9.076 4.399 2.113 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.759 5.603 1.038 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -11.830 5.710 2.335 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.381 4.304 3.281 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -10.142 5.595 4.736 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -9.255 6.336 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -10.581 8.061 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -11.393 7.613 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -11.963 7.079 4.432 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.627 3.427 -1.087 1.00 0.00 N ATOM 1364 CA GLU B 4 -6.294 2.762 -1.058 1.00 0.00 C ATOM 1365 C GLU B 4 -5.273 3.655 -0.347 1.00 0.00 C ATOM 1366 O GLU B 4 -4.564 4.422 -0.969 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.913 2.576 -2.528 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.639 1.732 -2.622 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.837 2.156 -3.854 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -4.222 1.774 -4.947 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -2.853 2.855 -3.683 1.00 0.00 O ATOM 0 H GLU B 4 -7.661 4.310 -1.597 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.316 1.815 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.726 2.088 -3.067 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.755 3.546 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.038 1.860 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.894 0.674 -2.687 1.00 0.00 H new ATOM 1378 N SER B 5 -5.194 3.564 0.952 1.00 0.00 N ATOM 1379 CA SER B 5 -4.221 4.411 1.704 1.00 0.00 C ATOM 1380 C SER B 5 -2.827 3.776 1.669 1.00 0.00 C ATOM 1381 O SER B 5 -2.579 2.837 0.941 1.00 0.00 O ATOM 1382 CB SER B 5 -4.756 4.454 3.135 1.00 0.00 C ATOM 1383 OG SER B 5 -5.168 5.777 3.447 1.00 0.00 O ATOM 0 H SER B 5 -5.761 2.940 1.527 1.00 0.00 H new ATOM 0 HA SER B 5 -4.125 5.409 1.275 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.595 3.766 3.242 1.00 0.00 H new ATOM 0 HB3 SER B 5 -3.985 4.128 3.833 1.00 0.00 H new ATOM 0 HG SER B 5 -5.656 5.776 4.297 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.917 4.284 2.455 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.540 3.713 2.470 1.00 0.00 C ATOM 1391 C LEU B 6 0.184 4.117 3.758 1.00 0.00 C ATOM 1392 O LEU B 6 0.584 5.252 3.927 1.00 0.00 O ATOM 1393 CB LEU B 6 0.151 4.317 1.235 1.00 0.00 C ATOM 1394 CG LEU B 6 1.633 3.889 1.146 1.00 0.00 C ATOM 1395 CD1 LEU B 6 2.476 4.740 2.099 1.00 0.00 C ATOM 1396 CD2 LEU B 6 1.797 2.405 1.503 1.00 0.00 C ATOM 0 H LEU B 6 -2.068 5.070 3.088 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.538 2.623 2.440 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.374 4.002 0.333 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.088 5.404 1.277 1.00 0.00 H new ATOM 0 HG LEU B 6 1.972 4.039 0.121 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.520 4.434 2.033 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.387 5.791 1.824 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.122 4.602 3.120 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.849 2.128 1.433 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.444 2.234 2.520 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.215 1.798 0.810 1.00 0.00 H new ATOM 1408 N VAL B 7 0.356 3.196 4.667 1.00 0.00 N ATOM 1409 CA VAL B 7 1.055 3.530 5.941 1.00 0.00 C ATOM 1410 C VAL B 7 2.467 2.936 5.940 1.00 0.00 C ATOM 1411 O VAL B 7 3.125 3.019 6.963 1.00 0.00 O ATOM 1412 CB VAL B 7 0.204 2.891 7.038 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.819 3.205 8.405 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.216 3.457 6.977 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.864 2.408 4.914 1.00 0.00 O ATOM 0 H VAL B 7 0.044 2.229 4.583 1.00 0.00 H new ATOM 0 HA VAL B 7 1.163 4.605 6.084 1.00 0.00 H new ATOM 0 HB VAL B 7 0.171 1.811 6.891 1.00 0.00 H new ATOM 0 HG11 VAL B 7 0.214 2.750 9.189 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.831 2.804 8.449 1.00 0.00 H new ATOM 0 HG13 VAL B 7 0.850 4.285 8.551 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -1.823 3.001 7.759 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.184 4.536 7.125 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.654 3.237 6.003 1.00 0.00 H new TER 1425 VAL B 7