USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 505 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 38 CYS SG : rot 180:sc= 0.234 USER MOD Set 1.2: A 62 CYS SG : rot 110:sc= -0.241 USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.459 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.252 K(o=0.21,f=-0.67) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.153 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -170:sc= 0 USER MOD Single : A 19 THR OG1 : rot 83:sc= 0.895 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.119 USER MOD Single : A 27 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.85) USER MOD Single : A 29 SER OG : rot 68:sc= 0.903 USER MOD Single : A 30 GLN : amide:sc= 0.277 K(o=0.28,f=-1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.606 K(o=-0.61,f=-4.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.926 USER MOD Single : A 42 SER OG : rot -2:sc= 0.407 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.256 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.24) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0.133 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -44:sc= 0.0394 USER MOD Single : A 66 MET CE :methyl -172:sc= -0.0577 (180deg=-0.205) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.500 -9.125 10.342 1.00 0.00 N ATOM 2 CA GLY A 1 4.641 -10.584 10.368 1.00 0.00 C ATOM 3 C GLY A 1 6.109 -10.965 10.396 1.00 0.00 C ATOM 4 O GLY A 1 6.964 -10.082 10.430 1.00 0.00 O ATOM 0 H1 GLY A 1 3.909 -8.819 11.141 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.439 -8.684 10.417 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.052 -8.835 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.135 -10.991 11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.161 -11.019 9.492 1.00 0.00 H new ATOM 8 N SER A 2 6.402 -12.264 10.427 1.00 0.00 N ATOM 9 CA SER A 2 7.760 -12.790 10.452 1.00 0.00 C ATOM 10 C SER A 2 8.156 -13.116 9.004 1.00 0.00 C ATOM 11 O SER A 2 9.009 -12.458 8.404 1.00 0.00 O ATOM 12 CB SER A 2 7.777 -13.997 11.408 1.00 0.00 C ATOM 13 OG SER A 2 9.015 -14.119 12.075 1.00 0.00 O ATOM 0 H SER A 2 5.687 -12.991 10.436 1.00 0.00 H new ATOM 0 HA SER A 2 8.499 -12.083 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.978 -13.891 12.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.575 -14.909 10.846 1.00 0.00 H new ATOM 0 HG SER A 2 8.989 -14.894 12.674 1.00 0.00 H new ATOM 19 N SER A 3 7.540 -14.150 8.438 1.00 0.00 N ATOM 20 CA SER A 3 7.743 -14.612 7.080 1.00 0.00 C ATOM 21 C SER A 3 6.467 -15.345 6.684 1.00 0.00 C ATOM 22 O SER A 3 5.749 -15.863 7.547 1.00 0.00 O ATOM 23 CB SER A 3 8.983 -15.504 6.968 1.00 0.00 C ATOM 24 OG SER A 3 9.037 -16.515 7.957 1.00 0.00 O ATOM 0 H SER A 3 6.854 -14.711 8.943 1.00 0.00 H new ATOM 0 HA SER A 3 7.931 -13.778 6.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.000 -15.969 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.876 -14.884 7.043 1.00 0.00 H new ATOM 0 HG SER A 3 9.848 -17.051 7.833 1.00 0.00 H new ATOM 30 N GLY A 4 6.219 -15.447 5.383 1.00 0.00 N ATOM 31 CA GLY A 4 5.036 -16.087 4.848 1.00 0.00 C ATOM 32 C GLY A 4 3.856 -15.122 4.955 1.00 0.00 C ATOM 33 O GLY A 4 3.839 -14.209 5.787 1.00 0.00 O ATOM 0 H GLY A 4 6.845 -15.081 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.198 -16.369 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.823 -17.004 5.397 1.00 0.00 H new ATOM 37 N SER A 5 2.853 -15.343 4.117 1.00 0.00 N ATOM 38 CA SER A 5 1.634 -14.570 4.033 1.00 0.00 C ATOM 39 C SER A 5 0.529 -15.568 3.708 1.00 0.00 C ATOM 40 O SER A 5 0.645 -16.340 2.752 1.00 0.00 O ATOM 41 CB SER A 5 1.820 -13.492 2.965 1.00 0.00 C ATOM 42 OG SER A 5 0.661 -12.702 2.796 1.00 0.00 O ATOM 0 H SER A 5 2.875 -16.109 3.444 1.00 0.00 H new ATOM 0 HA SER A 5 1.375 -14.047 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.657 -12.851 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.078 -13.963 2.017 1.00 0.00 H new ATOM 0 HG SER A 5 0.824 -12.025 2.106 1.00 0.00 H new ATOM 48 N SER A 6 -0.481 -15.639 4.566 1.00 0.00 N ATOM 49 CA SER A 6 -1.620 -16.524 4.413 1.00 0.00 C ATOM 50 C SER A 6 -2.717 -15.979 5.320 1.00 0.00 C ATOM 51 O SER A 6 -3.678 -15.371 4.842 1.00 0.00 O ATOM 52 CB SER A 6 -1.228 -17.972 4.759 1.00 0.00 C ATOM 53 OG SER A 6 -2.276 -18.855 4.432 1.00 0.00 O ATOM 0 H SER A 6 -0.528 -15.066 5.408 1.00 0.00 H new ATOM 0 HA SER A 6 -1.976 -16.554 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.325 -18.251 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.997 -18.049 5.821 1.00 0.00 H new ATOM 0 HG SER A 6 -2.013 -19.772 4.655 1.00 0.00 H new ATOM 59 N GLY A 7 -2.534 -16.117 6.636 1.00 0.00 N ATOM 60 CA GLY A 7 -3.493 -15.659 7.617 1.00 0.00 C ATOM 61 C GLY A 7 -3.639 -14.137 7.643 1.00 0.00 C ATOM 62 O GLY A 7 -2.721 -13.440 7.210 1.00 0.00 O ATOM 0 H GLY A 7 -1.707 -16.554 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.463 -16.108 7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.189 -16.006 8.604 1.00 0.00 H new ATOM 66 N CYS A 8 -4.737 -13.629 8.236 1.00 0.00 N ATOM 67 CA CYS A 8 -5.044 -12.193 8.339 1.00 0.00 C ATOM 68 C CYS A 8 -3.798 -11.428 8.754 1.00 0.00 C ATOM 69 O CYS A 8 -3.360 -11.651 9.874 1.00 0.00 O ATOM 70 CB CYS A 8 -6.148 -11.861 9.390 1.00 0.00 C ATOM 71 SG CYS A 8 -6.714 -10.161 9.150 1.00 0.00 S ATOM 0 H CYS A 8 -5.449 -14.220 8.665 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.405 -11.901 7.353 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.984 -12.552 9.286 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.755 -11.986 10.399 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.636 -9.883 10.024 1.00 0.00 H new ATOM 76 N VAL A 9 -3.300 -10.470 7.976 1.00 0.00 N ATOM 77 CA VAL A 9 -2.106 -9.701 8.359 1.00 0.00 C ATOM 78 C VAL A 9 -2.268 -9.112 9.781 1.00 0.00 C ATOM 79 O VAL A 9 -1.329 -9.034 10.566 1.00 0.00 O ATOM 80 CB VAL A 9 -1.872 -8.601 7.300 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.640 -7.747 7.610 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.709 -9.180 5.886 1.00 0.00 C ATOM 0 H VAL A 9 -3.700 -10.204 7.076 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.232 -10.352 8.390 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.765 -7.977 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.519 -6.989 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.768 -7.261 8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.245 -8.382 7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.547 -8.368 5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.854 -9.856 5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.611 -9.727 5.611 1.00 0.00 H new ATOM 92 N ALA A 10 -3.508 -8.777 10.148 1.00 0.00 N ATOM 93 CA ALA A 10 -3.893 -8.192 11.426 1.00 0.00 C ATOM 94 C ALA A 10 -4.117 -9.189 12.581 1.00 0.00 C ATOM 95 O ALA A 10 -4.661 -8.783 13.600 1.00 0.00 O ATOM 96 CB ALA A 10 -5.154 -7.354 11.190 1.00 0.00 C ATOM 0 H ALA A 10 -4.306 -8.915 9.528 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.049 -7.591 11.764 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.470 -6.900 12.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.940 -6.571 10.463 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.950 -7.994 10.810 1.00 0.00 H new ATOM 102 N CYS A 11 -3.915 -10.504 12.428 1.00 0.00 N ATOM 103 CA CYS A 11 -4.088 -11.471 13.543 1.00 0.00 C ATOM 104 C CYS A 11 -3.500 -12.870 13.279 1.00 0.00 C ATOM 105 O CYS A 11 -3.578 -13.761 14.120 1.00 0.00 O ATOM 106 CB CYS A 11 -5.570 -11.653 13.910 1.00 0.00 C ATOM 107 SG CYS A 11 -6.511 -12.754 12.827 1.00 0.00 S ATOM 0 H CYS A 11 -3.631 -10.932 11.547 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.529 -11.020 14.363 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.630 -12.036 14.929 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.049 -10.674 13.909 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.741 -12.825 13.243 1.00 0.00 H new ATOM 112 N SER A 12 -2.984 -13.086 12.078 1.00 0.00 N ATOM 113 CA SER A 12 -2.390 -14.287 11.527 1.00 0.00 C ATOM 114 C SER A 12 -3.346 -15.502 11.475 1.00 0.00 C ATOM 115 O SER A 12 -2.896 -16.616 11.195 1.00 0.00 O ATOM 116 CB SER A 12 -1.030 -14.550 12.196 1.00 0.00 C ATOM 117 OG SER A 12 -0.157 -15.188 11.286 1.00 0.00 O ATOM 0 H SER A 12 -2.972 -12.333 11.390 1.00 0.00 H new ATOM 0 HA SER A 12 -2.195 -14.114 10.469 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.593 -13.610 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.165 -15.173 13.080 1.00 0.00 H new ATOM 0 HG SER A 12 0.707 -15.350 11.720 1.00 0.00 H new ATOM 123 N LYS A 13 -4.660 -15.347 11.723 1.00 0.00 N ATOM 124 CA LYS A 13 -5.594 -16.481 11.664 1.00 0.00 C ATOM 125 C LYS A 13 -5.711 -16.962 10.234 1.00 0.00 C ATOM 126 O LYS A 13 -5.677 -16.107 9.350 1.00 0.00 O ATOM 127 CB LYS A 13 -7.010 -16.115 12.097 1.00 0.00 C ATOM 128 CG LYS A 13 -7.148 -16.172 13.622 1.00 0.00 C ATOM 129 CD LYS A 13 -7.396 -17.596 14.132 1.00 0.00 C ATOM 130 CE LYS A 13 -7.902 -17.557 15.575 1.00 0.00 C ATOM 131 NZ LYS A 13 -8.451 -18.864 15.983 1.00 0.00 N ATOM 0 H LYS A 13 -5.093 -14.456 11.964 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.191 -17.235 12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.255 -15.114 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.723 -16.799 11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.242 -15.777 14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.970 -15.528 13.934 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.126 -18.096 13.496 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.475 -18.176 14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.086 -17.278 16.242 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.670 -16.790 15.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.787 -18.808 16.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.244 -19.117 15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.710 -19.590 15.911 1.00 0.00 H new ATOM 145 N PRO A 14 -5.884 -18.269 10.013 1.00 0.00 N ATOM 146 CA PRO A 14 -5.993 -18.809 8.677 1.00 0.00 C ATOM 147 C PRO A 14 -7.288 -18.310 8.039 1.00 0.00 C ATOM 148 O PRO A 14 -8.330 -18.219 8.696 1.00 0.00 O ATOM 149 CB PRO A 14 -5.929 -20.329 8.839 1.00 0.00 C ATOM 150 CG PRO A 14 -6.432 -20.565 10.261 1.00 0.00 C ATOM 151 CD PRO A 14 -5.962 -19.322 11.013 1.00 0.00 C ATOM 0 HA PRO A 14 -5.195 -18.489 8.008 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.554 -20.836 8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.914 -20.703 8.706 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.517 -20.667 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.014 -21.476 10.689 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.659 -19.057 11.808 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.993 -19.490 11.482 1.00 0.00 H new ATOM 159 N ILE A 15 -7.200 -17.931 6.774 1.00 0.00 N ATOM 160 CA ILE A 15 -8.302 -17.434 5.954 1.00 0.00 C ATOM 161 C ILE A 15 -8.975 -18.656 5.307 1.00 0.00 C ATOM 162 O ILE A 15 -8.381 -19.735 5.201 1.00 0.00 O ATOM 163 CB ILE A 15 -7.778 -16.355 4.973 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.025 -15.222 5.714 1.00 0.00 C ATOM 165 CG2 ILE A 15 -8.888 -15.701 4.129 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.781 -14.596 6.894 1.00 0.00 C ATOM 0 H ILE A 15 -6.318 -17.962 6.263 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.070 -16.920 6.532 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.104 -16.896 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.077 -15.616 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.788 -14.436 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.449 -14.956 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.391 -16.464 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.610 -15.219 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.169 -13.814 7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.717 -14.165 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.994 -15.364 7.638 1.00 0.00 H new ATOM 178 N SER A 16 -10.240 -18.520 4.912 1.00 0.00 N ATOM 179 CA SER A 16 -11.023 -19.598 4.316 1.00 0.00 C ATOM 180 C SER A 16 -10.597 -19.993 2.900 1.00 0.00 C ATOM 181 O SER A 16 -10.846 -21.139 2.519 1.00 0.00 O ATOM 182 CB SER A 16 -12.498 -19.197 4.293 1.00 0.00 C ATOM 183 OG SER A 16 -12.910 -18.646 5.537 1.00 0.00 O ATOM 0 H SER A 16 -10.756 -17.644 4.999 1.00 0.00 H new ATOM 0 HA SER A 16 -10.846 -20.473 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.665 -18.469 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.109 -20.069 4.060 1.00 0.00 H new ATOM 0 HG SER A 16 -13.885 -18.547 5.544 1.00 0.00 H new ATOM 189 N GLY A 17 -9.974 -19.095 2.130 1.00 0.00 N ATOM 190 CA GLY A 17 -9.536 -19.369 0.768 1.00 0.00 C ATOM 191 C GLY A 17 -10.669 -19.935 -0.087 1.00 0.00 C ATOM 192 O GLY A 17 -11.705 -19.290 -0.275 1.00 0.00 O ATOM 0 H GLY A 17 -9.760 -18.148 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.162 -18.451 0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.707 -20.076 0.788 1.00 0.00 H new ATOM 196 N LEU A 18 -10.481 -21.156 -0.583 1.00 0.00 N ATOM 197 CA LEU A 18 -11.387 -21.922 -1.431 1.00 0.00 C ATOM 198 C LEU A 18 -12.675 -22.414 -0.750 1.00 0.00 C ATOM 199 O LEU A 18 -12.946 -23.614 -0.694 1.00 0.00 O ATOM 200 CB LEU A 18 -10.619 -23.014 -2.206 1.00 0.00 C ATOM 201 CG LEU A 18 -10.039 -24.222 -1.441 1.00 0.00 C ATOM 202 CD1 LEU A 18 -9.330 -25.123 -2.456 1.00 0.00 C ATOM 203 CD2 LEU A 18 -9.055 -23.827 -0.331 1.00 0.00 C ATOM 0 H LEU A 18 -9.625 -21.674 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.781 -21.218 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.289 -23.404 -2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.792 -22.527 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.865 -24.734 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.909 -25.988 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.046 -25.459 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.530 -24.564 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.687 -24.725 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.217 -23.282 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.562 -23.193 0.396 1.00 0.00 H new ATOM 215 N THR A 19 -13.416 -21.497 -0.127 1.00 0.00 N ATOM 216 CA THR A 19 -14.695 -21.786 0.523 1.00 0.00 C ATOM 217 C THR A 19 -15.791 -20.797 0.078 1.00 0.00 C ATOM 218 O THR A 19 -16.962 -21.174 -0.015 1.00 0.00 O ATOM 219 CB THR A 19 -14.525 -21.819 2.048 1.00 0.00 C ATOM 220 OG1 THR A 19 -13.332 -22.482 2.429 1.00 0.00 O ATOM 221 CG2 THR A 19 -15.686 -22.562 2.708 1.00 0.00 C ATOM 0 H THR A 19 -13.140 -20.517 -0.059 1.00 0.00 H new ATOM 0 HA THR A 19 -15.026 -22.775 0.207 1.00 0.00 H new ATOM 0 HB THR A 19 -14.493 -20.780 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.580 -21.856 2.381 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.544 -22.573 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.623 -22.058 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.721 -23.586 2.337 1.00 0.00 H new ATOM 229 N GLY A 20 -15.425 -19.554 -0.263 1.00 0.00 N ATOM 230 CA GLY A 20 -16.354 -18.510 -0.699 1.00 0.00 C ATOM 231 C GLY A 20 -16.485 -17.331 0.273 1.00 0.00 C ATOM 232 O GLY A 20 -17.232 -16.394 -0.014 1.00 0.00 O ATOM 0 H GLY A 20 -14.454 -19.243 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.027 -18.132 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -17.338 -18.955 -0.846 1.00 0.00 H new ATOM 236 N ALA A 21 -15.760 -17.351 1.395 1.00 0.00 N ATOM 237 CA ALA A 21 -15.779 -16.317 2.423 1.00 0.00 C ATOM 238 C ALA A 21 -15.324 -14.953 1.909 1.00 0.00 C ATOM 239 O ALA A 21 -14.454 -14.868 1.041 1.00 0.00 O ATOM 240 CB ALA A 21 -14.821 -16.717 3.544 1.00 0.00 C ATOM 0 H ALA A 21 -15.123 -18.116 1.616 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.811 -16.232 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.827 -15.950 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.138 -17.668 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.813 -16.819 3.142 1.00 0.00 H new ATOM 246 N LYS A 22 -15.841 -13.894 2.533 1.00 0.00 N ATOM 247 CA LYS A 22 -15.516 -12.515 2.201 1.00 0.00 C ATOM 248 C LYS A 22 -14.184 -12.136 2.839 1.00 0.00 C ATOM 249 O LYS A 22 -14.037 -12.274 4.060 1.00 0.00 O ATOM 250 CB LYS A 22 -16.659 -11.568 2.618 1.00 0.00 C ATOM 251 CG LYS A 22 -16.978 -11.500 4.127 1.00 0.00 C ATOM 252 CD LYS A 22 -18.164 -10.580 4.429 1.00 0.00 C ATOM 253 CE LYS A 22 -19.484 -11.222 3.988 1.00 0.00 C ATOM 254 NZ LYS A 22 -20.589 -10.252 3.976 1.00 0.00 N ATOM 0 H LYS A 22 -16.510 -13.977 3.298 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.409 -12.415 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.412 -10.563 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.564 -11.871 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.195 -12.502 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.100 -11.146 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.199 -10.365 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.030 -9.628 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.365 -11.649 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.730 -12.044 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.464 -10.726 3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.720 -9.863 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.366 -9.480 3.316 1.00 0.00 H new ATOM 268 N PHE A 23 -13.180 -11.748 2.061 1.00 0.00 N ATOM 269 CA PHE A 23 -11.879 -11.311 2.550 1.00 0.00 C ATOM 270 C PHE A 23 -11.366 -10.224 1.614 1.00 0.00 C ATOM 271 O PHE A 23 -11.665 -10.235 0.420 1.00 0.00 O ATOM 272 CB PHE A 23 -10.866 -12.455 2.718 1.00 0.00 C ATOM 273 CG PHE A 23 -10.740 -13.452 1.584 1.00 0.00 C ATOM 274 CD1 PHE A 23 -9.972 -13.142 0.446 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.363 -14.711 1.686 1.00 0.00 C ATOM 276 CE1 PHE A 23 -9.858 -14.074 -0.600 1.00 0.00 C ATOM 277 CE2 PHE A 23 -11.268 -15.633 0.628 1.00 0.00 C ATOM 278 CZ PHE A 23 -10.523 -15.310 -0.520 1.00 0.00 C ATOM 0 H PHE A 23 -13.251 -11.728 1.044 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.002 -10.915 3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.884 -12.012 2.887 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.127 -13.005 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.470 -12.188 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.915 -14.969 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.258 -13.840 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.767 -16.588 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 23 -10.462 -16.011 -1.339 1.00 0.00 H new ATOM 288 N ILE A 24 -10.633 -9.266 2.170 1.00 0.00 N ATOM 289 CA ILE A 24 -10.048 -8.170 1.421 1.00 0.00 C ATOM 290 C ILE A 24 -8.689 -8.702 0.977 1.00 0.00 C ATOM 291 O ILE A 24 -7.902 -9.149 1.818 1.00 0.00 O ATOM 292 CB ILE A 24 -9.937 -6.898 2.292 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.256 -6.518 3.007 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.416 -5.714 1.458 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.475 -6.354 2.092 1.00 0.00 C ATOM 0 H ILE A 24 -10.428 -9.232 3.169 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.653 -7.866 0.567 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.221 -7.133 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.481 -7.283 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.101 -5.585 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.345 -4.828 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.431 -5.956 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.103 -5.519 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.346 -6.088 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.280 -5.566 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.666 -7.291 1.569 1.00 0.00 H new ATOM 307 N CYS A 25 -8.459 -8.746 -0.328 1.00 0.00 N ATOM 308 CA CYS A 25 -7.230 -9.203 -0.949 1.00 0.00 C ATOM 309 C CYS A 25 -6.547 -7.945 -1.474 1.00 0.00 C ATOM 310 O CYS A 25 -7.089 -7.291 -2.365 1.00 0.00 O ATOM 311 CB CYS A 25 -7.526 -10.241 -2.047 1.00 0.00 C ATOM 312 SG CYS A 25 -8.955 -9.793 -3.080 1.00 0.00 S ATOM 0 H CYS A 25 -9.157 -8.450 -1.010 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.573 -9.721 -0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.646 -10.352 -2.681 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.709 -11.210 -1.583 1.00 0.00 H new ATOM 0 HG CYS A 25 -9.143 -10.710 -3.982 1.00 0.00 H new ATOM 318 N PHE A 26 -5.433 -7.542 -0.869 1.00 0.00 N ATOM 319 CA PHE A 26 -4.680 -6.363 -1.275 1.00 0.00 C ATOM 320 C PHE A 26 -3.209 -6.728 -1.182 1.00 0.00 C ATOM 321 O PHE A 26 -2.798 -7.354 -0.205 1.00 0.00 O ATOM 322 CB PHE A 26 -5.035 -5.164 -0.386 1.00 0.00 C ATOM 323 CG PHE A 26 -4.213 -3.914 -0.665 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.251 -3.299 -1.933 1.00 0.00 C ATOM 325 CD2 PHE A 26 -3.389 -3.374 0.341 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.479 -2.148 -2.178 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.638 -2.212 0.101 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.688 -1.593 -1.156 1.00 0.00 C ATOM 0 H PHE A 26 -5.024 -8.032 -0.073 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.924 -6.065 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.091 -4.928 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.901 -5.448 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.872 -3.711 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.334 -3.858 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.494 -1.689 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.022 -1.795 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.121 -0.692 -1.339 1.00 0.00 H new ATOM 338 N GLN A 27 -2.425 -6.314 -2.179 1.00 0.00 N ATOM 339 CA GLN A 27 -0.998 -6.566 -2.301 1.00 0.00 C ATOM 340 C GLN A 27 -0.633 -8.004 -1.927 1.00 0.00 C ATOM 341 O GLN A 27 0.213 -8.247 -1.064 1.00 0.00 O ATOM 342 CB GLN A 27 -0.186 -5.492 -1.557 1.00 0.00 C ATOM 343 CG GLN A 27 -0.230 -4.131 -2.268 1.00 0.00 C ATOM 344 CD GLN A 27 0.281 -4.186 -3.712 1.00 0.00 C ATOM 345 OE1 GLN A 27 1.095 -5.037 -4.078 1.00 0.00 O ATOM 346 NE2 GLN A 27 -0.208 -3.319 -4.577 1.00 0.00 N ATOM 0 H GLN A 27 -2.791 -5.768 -2.959 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.720 -6.478 -3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.574 -5.383 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.850 -5.820 -1.468 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.255 -3.761 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.368 -3.415 -1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.881 -2.617 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.087 -3.351 -5.553 1.00 0.00 H new ATOM 355 N ASP A 28 -1.292 -8.960 -2.593 1.00 0.00 N ATOM 356 CA ASP A 28 -1.105 -10.408 -2.429 1.00 0.00 C ATOM 357 C ASP A 28 -1.245 -10.900 -0.976 1.00 0.00 C ATOM 358 O ASP A 28 -0.890 -12.035 -0.653 1.00 0.00 O ATOM 359 CB ASP A 28 0.234 -10.790 -3.086 1.00 0.00 C ATOM 360 CG ASP A 28 0.455 -12.295 -3.203 1.00 0.00 C ATOM 361 OD1 ASP A 28 -0.473 -12.997 -3.667 1.00 0.00 O ATOM 362 OD2 ASP A 28 1.583 -12.741 -2.892 1.00 0.00 O ATOM 0 H ASP A 28 -2.001 -8.736 -3.291 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.918 -10.930 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.279 -10.347 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.049 -10.356 -2.507 1.00 0.00 H new ATOM 367 N SER A 29 -1.785 -10.064 -0.091 1.00 0.00 N ATOM 368 CA SER A 29 -2.002 -10.311 1.323 1.00 0.00 C ATOM 369 C SER A 29 -3.509 -10.371 1.592 1.00 0.00 C ATOM 370 O SER A 29 -4.307 -9.907 0.768 1.00 0.00 O ATOM 371 CB SER A 29 -1.328 -9.186 2.108 1.00 0.00 C ATOM 372 OG SER A 29 -0.004 -8.922 1.659 1.00 0.00 O ATOM 0 H SER A 29 -2.102 -9.135 -0.367 1.00 0.00 H new ATOM 0 HA SER A 29 -1.571 -11.262 1.635 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.925 -8.278 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.303 -9.450 3.165 1.00 0.00 H new ATOM 0 HG SER A 29 -0.034 -8.546 0.755 1.00 0.00 H new ATOM 378 N GLN A 30 -3.910 -10.912 2.748 1.00 0.00 N ATOM 379 CA GLN A 30 -5.312 -11.063 3.112 1.00 0.00 C ATOM 380 C GLN A 30 -5.648 -10.326 4.408 1.00 0.00 C ATOM 381 O GLN A 30 -4.971 -10.486 5.430 1.00 0.00 O ATOM 382 CB GLN A 30 -5.651 -12.558 3.281 1.00 0.00 C ATOM 383 CG GLN A 30 -5.557 -13.443 2.022 1.00 0.00 C ATOM 384 CD GLN A 30 -4.136 -13.632 1.490 1.00 0.00 C ATOM 385 OE1 GLN A 30 -3.821 -13.186 0.396 1.00 0.00 O ATOM 386 NE2 GLN A 30 -3.238 -14.239 2.242 1.00 0.00 N ATOM 0 H GLN A 30 -3.263 -11.257 3.457 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.906 -10.628 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.985 -12.973 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.665 -12.633 3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.981 -14.421 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.171 -13.003 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.504 -14.610 3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.278 -14.337 1.911 1.00 0.00 H new ATOM 395 N TRP A 31 -6.734 -9.556 4.388 1.00 0.00 N ATOM 396 CA TRP A 31 -7.246 -8.803 5.521 1.00 0.00 C ATOM 397 C TRP A 31 -8.695 -9.219 5.731 1.00 0.00 C ATOM 398 O TRP A 31 -9.438 -9.498 4.785 1.00 0.00 O ATOM 399 CB TRP A 31 -7.140 -7.284 5.318 1.00 0.00 C ATOM 400 CG TRP A 31 -5.861 -6.659 5.782 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.655 -6.073 6.985 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.637 -6.440 5.023 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.371 -5.569 7.047 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.696 -5.773 5.863 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.256 -6.671 3.684 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.416 -5.418 5.411 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -2.996 -6.265 3.211 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.064 -5.671 4.077 1.00 0.00 C ATOM 0 H TRP A 31 -7.300 -9.438 3.548 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.643 -9.028 6.401 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.266 -7.067 4.257 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.968 -6.806 5.842 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.386 -6.009 7.778 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.973 -5.105 7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.942 -7.167 3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.709 -4.955 6.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.742 -6.411 2.171 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.080 -5.410 3.717 1.00 0.00 H new ATOM 419 N HIS A 32 -9.062 -9.392 6.997 1.00 0.00 N ATOM 420 CA HIS A 32 -10.421 -9.752 7.375 1.00 0.00 C ATOM 421 C HIS A 32 -11.218 -8.460 7.221 1.00 0.00 C ATOM 422 O HIS A 32 -10.663 -7.410 7.539 1.00 0.00 O ATOM 423 CB HIS A 32 -10.484 -10.198 8.851 1.00 0.00 C ATOM 424 CG HIS A 32 -9.996 -11.590 9.176 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.366 -11.982 10.375 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.288 -12.694 8.441 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.394 -13.338 10.339 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.922 -13.781 9.188 1.00 0.00 N ATOM 0 H HIS A 32 -8.426 -9.286 7.787 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.799 -10.574 6.767 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.903 -9.490 9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.519 -10.117 9.184 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.726 -12.711 7.454 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.038 -13.977 11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -10.032 -14.758 8.917 1.00 0.00 H new ATOM 436 N SER A 33 -12.481 -8.518 6.797 1.00 0.00 N ATOM 437 CA SER A 33 -13.348 -7.350 6.631 1.00 0.00 C ATOM 438 C SER A 33 -13.313 -6.541 7.937 1.00 0.00 C ATOM 439 O SER A 33 -12.942 -5.366 7.966 1.00 0.00 O ATOM 440 CB SER A 33 -14.759 -7.846 6.256 1.00 0.00 C ATOM 441 OG SER A 33 -15.652 -6.783 6.006 1.00 0.00 O ATOM 0 H SER A 33 -12.940 -9.396 6.554 1.00 0.00 H new ATOM 0 HA SER A 33 -13.014 -6.690 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.696 -8.480 5.371 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.151 -8.464 7.064 1.00 0.00 H new ATOM 0 HG SER A 33 -16.532 -7.144 5.771 1.00 0.00 H new ATOM 447 N GLU A 34 -13.558 -7.226 9.055 1.00 0.00 N ATOM 448 CA GLU A 34 -13.576 -6.669 10.404 1.00 0.00 C ATOM 449 C GLU A 34 -12.236 -6.076 10.856 1.00 0.00 C ATOM 450 O GLU A 34 -12.188 -5.433 11.902 1.00 0.00 O ATOM 451 CB GLU A 34 -13.989 -7.790 11.375 1.00 0.00 C ATOM 452 CG GLU A 34 -15.424 -8.307 11.170 1.00 0.00 C ATOM 453 CD GLU A 34 -16.510 -7.303 11.573 1.00 0.00 C ATOM 454 OE1 GLU A 34 -16.208 -6.118 11.829 1.00 0.00 O ATOM 455 OE2 GLU A 34 -17.689 -7.707 11.690 1.00 0.00 O ATOM 0 H GLU A 34 -13.757 -8.226 9.042 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.284 -5.840 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.296 -8.624 11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.889 -7.425 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.558 -8.571 10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.556 -9.222 11.748 1.00 0.00 H new ATOM 462 N CYS A 35 -11.148 -6.312 10.118 1.00 0.00 N ATOM 463 CA CYS A 35 -9.813 -5.815 10.428 1.00 0.00 C ATOM 464 C CYS A 35 -9.194 -4.995 9.298 1.00 0.00 C ATOM 465 O CYS A 35 -7.984 -4.788 9.322 1.00 0.00 O ATOM 466 CB CYS A 35 -8.908 -6.948 10.904 1.00 0.00 C ATOM 467 SG CYS A 35 -9.433 -7.513 12.526 1.00 0.00 S ATOM 0 H CYS A 35 -11.177 -6.870 9.265 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.919 -5.111 11.253 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.941 -7.774 10.194 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.874 -6.605 10.946 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.658 -8.479 12.921 1.00 0.00 H new ATOM 472 N PHE A 36 -9.966 -4.617 8.276 1.00 0.00 N ATOM 473 CA PHE A 36 -9.470 -3.787 7.191 1.00 0.00 C ATOM 474 C PHE A 36 -9.862 -2.394 7.679 1.00 0.00 C ATOM 475 O PHE A 36 -11.039 -2.016 7.612 1.00 0.00 O ATOM 476 CB PHE A 36 -10.089 -4.192 5.852 1.00 0.00 C ATOM 477 CG PHE A 36 -9.543 -3.384 4.691 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.175 -3.468 4.359 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.386 -2.525 3.962 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.654 -2.684 3.316 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.861 -1.737 2.923 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.494 -1.813 2.606 1.00 0.00 C ATOM 0 H PHE A 36 -10.947 -4.880 8.183 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.402 -3.868 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.901 -5.251 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.170 -4.065 5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.527 -4.136 4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.438 -2.471 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.607 -2.752 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.508 -1.073 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.089 -1.200 1.814 1.00 0.00 H new ATOM 492 N ASN A 37 -8.890 -1.662 8.225 1.00 0.00 N ATOM 493 CA ASN A 37 -9.075 -0.340 8.802 1.00 0.00 C ATOM 494 C ASN A 37 -7.925 0.640 8.518 1.00 0.00 C ATOM 495 O ASN A 37 -6.850 0.230 8.087 1.00 0.00 O ATOM 496 CB ASN A 37 -9.147 -0.520 10.333 1.00 0.00 C ATOM 497 CG ASN A 37 -10.261 -1.421 10.855 1.00 0.00 C ATOM 498 OD1 ASN A 37 -11.436 -1.132 10.686 1.00 0.00 O ATOM 499 ND2 ASN A 37 -9.950 -2.509 11.532 1.00 0.00 N ATOM 0 H ASN A 37 -7.925 -1.987 8.277 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.976 0.082 8.356 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.193 -0.921 10.676 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.261 0.464 10.788 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.688 -3.103 11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.971 -2.757 11.677 1.00 0.00 H new ATOM 506 N CYS A 38 -8.135 1.937 8.821 1.00 0.00 N ATOM 507 CA CYS A 38 -7.150 3.018 8.649 1.00 0.00 C ATOM 508 C CYS A 38 -5.968 2.739 9.570 1.00 0.00 C ATOM 509 O CYS A 38 -6.188 2.802 10.774 1.00 0.00 O ATOM 510 CB CYS A 38 -7.709 4.412 9.073 1.00 0.00 C ATOM 511 SG CYS A 38 -6.524 5.731 8.711 1.00 0.00 S ATOM 0 H CYS A 38 -9.021 2.268 9.203 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.882 3.043 7.593 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.645 4.606 8.549 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.936 4.406 10.139 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.023 6.875 9.075 1.00 0.00 H new ATOM 516 N GLY A 39 -4.740 2.595 9.081 1.00 0.00 N ATOM 517 CA GLY A 39 -3.599 2.333 9.966 1.00 0.00 C ATOM 518 C GLY A 39 -3.428 3.389 11.075 1.00 0.00 C ATOM 519 O GLY A 39 -3.083 3.066 12.206 1.00 0.00 O ATOM 0 H GLY A 39 -4.506 2.654 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.723 1.352 10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.688 2.293 9.369 1.00 0.00 H new ATOM 523 N LYS A 40 -3.783 4.652 10.808 1.00 0.00 N ATOM 524 CA LYS A 40 -3.650 5.751 11.775 1.00 0.00 C ATOM 525 C LYS A 40 -4.769 5.897 12.800 1.00 0.00 C ATOM 526 O LYS A 40 -4.562 6.582 13.797 1.00 0.00 O ATOM 527 CB LYS A 40 -3.529 7.090 11.033 1.00 0.00 C ATOM 528 CG LYS A 40 -2.102 7.314 10.544 1.00 0.00 C ATOM 529 CD LYS A 40 -1.875 8.728 9.991 1.00 0.00 C ATOM 530 CE LYS A 40 -0.392 8.919 9.628 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.030 10.323 9.323 1.00 0.00 N ATOM 0 H LYS A 40 -4.172 4.943 9.911 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.755 5.487 12.338 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.214 7.104 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.823 7.905 11.695 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.409 7.135 11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.870 6.584 9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.497 8.887 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.175 9.470 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.224 8.566 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.155 8.296 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.982 10.377 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.592 10.659 8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.225 10.920 10.152 1.00 0.00 H new ATOM 545 N CYS A 41 -5.974 5.382 12.541 1.00 0.00 N ATOM 546 CA CYS A 41 -7.076 5.527 13.489 1.00 0.00 C ATOM 547 C CYS A 41 -7.960 4.291 13.703 1.00 0.00 C ATOM 548 O CYS A 41 -8.883 4.352 14.509 1.00 0.00 O ATOM 549 CB CYS A 41 -7.980 6.658 13.005 1.00 0.00 C ATOM 550 SG CYS A 41 -9.342 6.138 11.947 1.00 0.00 S ATOM 0 H CYS A 41 -6.208 4.867 11.692 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.595 5.717 14.449 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.390 7.173 13.874 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.373 7.382 12.462 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.042 7.177 11.599 1.00 0.00 H new ATOM 555 N SER A 42 -7.779 3.238 12.915 1.00 0.00 N ATOM 556 CA SER A 42 -8.510 1.979 12.974 1.00 0.00 C ATOM 557 C SER A 42 -10.007 2.047 12.608 1.00 0.00 C ATOM 558 O SER A 42 -10.807 1.286 13.143 1.00 0.00 O ATOM 559 CB SER A 42 -8.135 1.123 14.203 1.00 0.00 C ATOM 560 OG SER A 42 -8.395 1.728 15.457 1.00 0.00 O ATOM 0 H SER A 42 -7.077 3.241 12.175 1.00 0.00 H new ATOM 0 HA SER A 42 -8.141 1.401 12.127 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.681 0.181 14.151 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.074 0.880 14.147 1.00 0.00 H new ATOM 0 HG SER A 42 -8.746 2.632 15.317 1.00 0.00 H new ATOM 566 N VAL A 43 -10.421 2.972 11.729 1.00 0.00 N ATOM 567 CA VAL A 43 -11.818 3.056 11.271 1.00 0.00 C ATOM 568 C VAL A 43 -11.925 2.102 10.078 1.00 0.00 C ATOM 569 O VAL A 43 -10.957 2.030 9.308 1.00 0.00 O ATOM 570 CB VAL A 43 -12.230 4.488 10.853 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.524 4.996 9.578 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.735 4.604 10.598 1.00 0.00 C ATOM 0 H VAL A 43 -9.806 3.675 11.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.492 2.786 12.084 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.925 5.100 11.702 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.866 6.006 9.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.446 5.005 9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.761 4.336 8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.977 5.626 10.307 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.022 3.922 9.798 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.279 4.347 11.507 1.00 0.00 H new ATOM 582 N SER A 44 -13.078 1.468 9.883 1.00 0.00 N ATOM 583 CA SER A 44 -13.325 0.543 8.789 1.00 0.00 C ATOM 584 C SER A 44 -13.106 1.210 7.432 1.00 0.00 C ATOM 585 O SER A 44 -13.562 2.333 7.195 1.00 0.00 O ATOM 586 CB SER A 44 -14.755 -0.001 8.911 1.00 0.00 C ATOM 587 OG SER A 44 -14.929 -1.143 8.096 1.00 0.00 O ATOM 0 H SER A 44 -13.883 1.588 10.498 1.00 0.00 H new ATOM 0 HA SER A 44 -12.615 -0.282 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.965 -0.255 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.468 0.770 8.621 1.00 0.00 H new ATOM 0 HG SER A 44 -15.846 -1.475 8.190 1.00 0.00 H new ATOM 593 N LEU A 45 -12.409 0.506 6.535 1.00 0.00 N ATOM 594 CA LEU A 45 -12.119 0.950 5.168 1.00 0.00 C ATOM 595 C LEU A 45 -12.866 0.083 4.142 1.00 0.00 C ATOM 596 O LEU A 45 -12.752 0.294 2.937 1.00 0.00 O ATOM 597 CB LEU A 45 -10.606 0.999 4.899 1.00 0.00 C ATOM 598 CG LEU A 45 -9.883 2.169 5.589 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.408 2.164 5.173 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.486 3.540 5.242 1.00 0.00 C ATOM 0 H LEU A 45 -12.020 -0.413 6.745 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.486 1.970 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.158 0.062 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.441 1.067 3.824 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.997 2.023 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.890 2.991 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.949 1.222 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.335 2.275 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.932 4.323 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.424 3.703 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.530 3.568 5.554 1.00 0.00 H new ATOM 612 N VAL A 46 -13.654 -0.871 4.626 1.00 0.00 N ATOM 613 CA VAL A 46 -14.463 -1.828 3.894 1.00 0.00 C ATOM 614 C VAL A 46 -15.457 -1.105 2.975 1.00 0.00 C ATOM 615 O VAL A 46 -16.417 -0.483 3.436 1.00 0.00 O ATOM 616 CB VAL A 46 -15.149 -2.709 4.953 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.096 -3.748 4.365 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.124 -3.469 5.809 1.00 0.00 C ATOM 0 H VAL A 46 -13.748 -1.002 5.633 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.864 -2.452 3.230 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.722 -2.005 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.542 -4.331 5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.883 -3.246 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.542 -4.411 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.646 -4.080 6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.519 -4.111 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.478 -2.756 6.322 1.00 0.00 H new ATOM 628 N GLY A 47 -15.210 -1.145 1.668 1.00 0.00 N ATOM 629 CA GLY A 47 -16.028 -0.541 0.623 1.00 0.00 C ATOM 630 C GLY A 47 -15.906 0.981 0.487 1.00 0.00 C ATOM 631 O GLY A 47 -16.348 1.513 -0.534 1.00 0.00 O ATOM 0 H GLY A 47 -14.392 -1.624 1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.762 -0.996 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.072 -0.789 0.814 1.00 0.00 H new ATOM 635 N LYS A 48 -15.386 1.706 1.485 1.00 0.00 N ATOM 636 CA LYS A 48 -15.214 3.158 1.413 1.00 0.00 C ATOM 637 C LYS A 48 -13.843 3.376 0.781 1.00 0.00 C ATOM 638 O LYS A 48 -12.843 3.043 1.421 1.00 0.00 O ATOM 639 CB LYS A 48 -15.352 3.887 2.774 1.00 0.00 C ATOM 640 CG LYS A 48 -14.826 3.167 4.025 1.00 0.00 C ATOM 641 CD LYS A 48 -15.865 2.228 4.660 1.00 0.00 C ATOM 642 CE LYS A 48 -16.653 2.860 5.810 1.00 0.00 C ATOM 643 NZ LYS A 48 -17.944 2.172 6.048 1.00 0.00 N ATOM 0 H LYS A 48 -15.073 1.299 2.366 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.016 3.597 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.836 4.844 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.408 4.106 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.939 2.592 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.517 3.909 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.564 1.902 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.357 1.336 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.053 2.829 6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.839 3.911 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.443 2.633 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -18.528 2.224 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.767 1.175 6.287 1.00 0.00 H new ATOM 657 N GLY A 49 -13.809 3.922 -0.442 1.00 0.00 N ATOM 658 CA GLY A 49 -12.594 4.209 -1.205 1.00 0.00 C ATOM 659 C GLY A 49 -11.500 4.779 -0.305 1.00 0.00 C ATOM 660 O GLY A 49 -11.795 5.572 0.604 1.00 0.00 O ATOM 0 H GLY A 49 -14.659 4.184 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.237 3.297 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.820 4.918 -2.001 1.00 0.00 H new ATOM 664 N PHE A 50 -10.246 4.406 -0.534 1.00 0.00 N ATOM 665 CA PHE A 50 -9.135 4.844 0.289 1.00 0.00 C ATOM 666 C PHE A 50 -7.906 5.279 -0.502 1.00 0.00 C ATOM 667 O PHE A 50 -7.836 5.137 -1.720 1.00 0.00 O ATOM 668 CB PHE A 50 -8.845 3.703 1.274 1.00 0.00 C ATOM 669 CG PHE A 50 -8.523 2.364 0.621 1.00 0.00 C ATOM 670 CD1 PHE A 50 -7.230 2.080 0.135 1.00 0.00 C ATOM 671 CD2 PHE A 50 -9.547 1.413 0.445 1.00 0.00 C ATOM 672 CE1 PHE A 50 -6.961 0.856 -0.501 1.00 0.00 C ATOM 673 CE2 PHE A 50 -9.286 0.201 -0.216 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.991 -0.082 -0.683 1.00 0.00 C ATOM 0 H PHE A 50 -9.975 3.789 -1.300 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.409 5.755 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.007 3.993 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.709 3.575 1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.441 2.808 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.539 1.617 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.963 0.636 -0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -10.081 -0.514 -0.365 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.788 -1.019 -1.181 1.00 0.00 H new ATOM 684 N LEU A 51 -6.953 5.868 0.225 1.00 0.00 N ATOM 685 CA LEU A 51 -5.695 6.382 -0.296 1.00 0.00 C ATOM 686 C LEU A 51 -4.593 5.386 0.060 1.00 0.00 C ATOM 687 O LEU A 51 -4.763 4.575 0.979 1.00 0.00 O ATOM 688 CB LEU A 51 -5.397 7.769 0.305 1.00 0.00 C ATOM 689 CG LEU A 51 -6.312 8.915 -0.178 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.741 8.835 0.372 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.739 10.267 0.256 1.00 0.00 C ATOM 0 H LEU A 51 -7.046 6.003 1.232 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.751 6.498 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.474 7.699 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.364 8.031 0.075 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.352 8.814 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.325 9.672 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.200 7.898 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.715 8.878 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.393 11.067 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.669 10.300 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.747 10.397 -0.176 1.00 0.00 H new ATOM 703 N THR A 52 -3.450 5.464 -0.615 1.00 0.00 N ATOM 704 CA THR A 52 -2.334 4.557 -0.386 1.00 0.00 C ATOM 705 C THR A 52 -1.017 5.323 -0.491 1.00 0.00 C ATOM 706 O THR A 52 -0.536 5.578 -1.598 1.00 0.00 O ATOM 707 CB THR A 52 -2.405 3.420 -1.431 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.583 3.934 -2.742 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.526 2.409 -1.170 1.00 0.00 C ATOM 0 H THR A 52 -3.273 6.161 -1.338 1.00 0.00 H new ATOM 0 HA THR A 52 -2.389 4.126 0.614 1.00 0.00 H new ATOM 0 HB THR A 52 -1.449 2.904 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.962 4.678 -2.889 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.512 1.642 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.377 1.944 -0.196 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.488 2.921 -1.184 1.00 0.00 H new ATOM 717 N GLN A 53 -0.382 5.649 0.629 1.00 0.00 N ATOM 718 CA GLN A 53 0.888 6.372 0.674 1.00 0.00 C ATOM 719 C GLN A 53 1.813 5.590 1.599 1.00 0.00 C ATOM 720 O GLN A 53 1.328 4.875 2.476 1.00 0.00 O ATOM 721 CB GLN A 53 0.636 7.804 1.190 1.00 0.00 C ATOM 722 CG GLN A 53 1.854 8.740 1.100 1.00 0.00 C ATOM 723 CD GLN A 53 1.546 10.139 1.640 1.00 0.00 C ATOM 724 OE1 GLN A 53 1.383 10.338 2.844 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.458 11.135 0.779 1.00 0.00 N ATOM 0 H GLN A 53 -0.743 5.413 1.554 1.00 0.00 H new ATOM 0 HA GLN A 53 1.348 6.458 -0.311 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.185 8.242 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.312 7.750 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.684 8.310 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.177 8.816 0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.594 10.962 -0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.254 12.078 1.109 1.00 0.00 H new ATOM 734 N ASN A 54 3.130 5.726 1.422 1.00 0.00 N ATOM 735 CA ASN A 54 4.155 5.067 2.232 1.00 0.00 C ATOM 736 C ASN A 54 3.903 3.564 2.398 1.00 0.00 C ATOM 737 O ASN A 54 4.164 3.002 3.462 1.00 0.00 O ATOM 738 CB ASN A 54 4.282 5.783 3.593 1.00 0.00 C ATOM 739 CG ASN A 54 4.563 7.275 3.473 1.00 0.00 C ATOM 740 OD1 ASN A 54 3.802 8.095 3.968 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.621 7.668 2.778 1.00 0.00 N ATOM 0 H ASN A 54 3.523 6.316 0.689 1.00 0.00 H new ATOM 0 HA ASN A 54 5.104 5.147 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.360 5.640 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.083 5.316 4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.807 8.663 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.249 6.976 2.370 1.00 0.00 H new ATOM 748 N LYS A 55 3.379 2.906 1.354 1.00 0.00 N ATOM 749 CA LYS A 55 3.062 1.473 1.349 1.00 0.00 C ATOM 750 C LYS A 55 2.114 1.084 2.496 1.00 0.00 C ATOM 751 O LYS A 55 2.018 -0.089 2.866 1.00 0.00 O ATOM 752 CB LYS A 55 4.354 0.636 1.254 1.00 0.00 C ATOM 753 CG LYS A 55 5.038 0.795 -0.113 1.00 0.00 C ATOM 754 CD LYS A 55 4.419 -0.129 -1.166 1.00 0.00 C ATOM 755 CE LYS A 55 5.026 0.060 -2.561 1.00 0.00 C ATOM 756 NZ LYS A 55 4.409 1.171 -3.318 1.00 0.00 N ATOM 0 H LYS A 55 3.159 3.367 0.471 1.00 0.00 H new ATOM 0 HA LYS A 55 2.491 1.237 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.043 0.940 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.119 -0.415 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.955 1.830 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.101 0.576 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.552 -1.165 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.346 0.053 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.096 0.245 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.913 -0.864 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.861 1.248 -4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.393 0.986 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.539 2.061 -2.796 1.00 0.00 H new ATOM 770 N GLU A 56 1.370 2.045 3.035 1.00 0.00 N ATOM 771 CA GLU A 56 0.406 1.882 4.109 1.00 0.00 C ATOM 772 C GLU A 56 -0.995 2.243 3.602 1.00 0.00 C ATOM 773 O GLU A 56 -1.184 2.537 2.416 1.00 0.00 O ATOM 774 CB GLU A 56 0.868 2.621 5.374 1.00 0.00 C ATOM 775 CG GLU A 56 2.026 1.883 6.068 1.00 0.00 C ATOM 776 CD GLU A 56 1.995 2.069 7.584 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.112 1.460 8.240 1.00 0.00 O ATOM 778 OE2 GLU A 56 2.864 2.784 8.133 1.00 0.00 O ATOM 0 H GLU A 56 1.430 3.011 2.713 1.00 0.00 H new ATOM 0 HA GLU A 56 0.342 0.839 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.184 3.631 5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.031 2.719 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.972 0.820 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.975 2.249 5.677 1.00 0.00 H new ATOM 785 N ILE A 57 -1.983 2.168 4.495 1.00 0.00 N ATOM 786 CA ILE A 57 -3.392 2.413 4.228 1.00 0.00 C ATOM 787 C ILE A 57 -3.929 3.513 5.151 1.00 0.00 C ATOM 788 O ILE A 57 -3.855 3.420 6.382 1.00 0.00 O ATOM 789 CB ILE A 57 -4.141 1.059 4.344 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.007 0.457 5.763 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.642 0.098 3.241 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.515 -0.967 5.901 1.00 0.00 C ATOM 0 H ILE A 57 -1.809 1.923 5.470 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.551 2.793 3.219 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.207 1.224 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.957 0.483 6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.550 1.091 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.168 -0.853 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.834 0.537 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.571 -0.068 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.380 -1.303 6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.574 -1.002 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.957 -1.619 5.229 1.00 0.00 H new ATOM 804 N PHE A 58 -4.474 4.586 4.569 1.00 0.00 N ATOM 805 CA PHE A 58 -5.006 5.716 5.308 1.00 0.00 C ATOM 806 C PHE A 58 -6.350 6.177 4.737 1.00 0.00 C ATOM 807 O PHE A 58 -6.554 6.216 3.524 1.00 0.00 O ATOM 808 CB PHE A 58 -3.969 6.844 5.296 1.00 0.00 C ATOM 809 CG PHE A 58 -2.563 6.433 5.721 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.317 5.987 7.035 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.495 6.470 4.802 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.023 5.593 7.423 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.197 6.109 5.202 1.00 0.00 C ATOM 814 CZ PHE A 58 0.043 5.679 6.516 1.00 0.00 C ATOM 0 H PHE A 58 -4.555 4.687 3.557 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.198 5.417 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.921 7.262 4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.313 7.640 5.956 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.127 5.947 7.749 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.675 6.778 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.850 5.223 8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.618 6.163 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.043 5.416 6.827 1.00 0.00 H new ATOM 824 N CYS A 59 -7.287 6.534 5.631 1.00 0.00 N ATOM 825 CA CYS A 59 -8.604 7.001 5.187 1.00 0.00 C ATOM 826 C CYS A 59 -8.400 8.428 4.661 1.00 0.00 C ATOM 827 O CYS A 59 -7.469 9.088 5.131 1.00 0.00 O ATOM 828 CB CYS A 59 -9.674 7.117 6.311 1.00 0.00 C ATOM 829 SG CYS A 59 -9.885 8.715 7.136 1.00 0.00 S ATOM 0 H CYS A 59 -7.159 6.508 6.643 1.00 0.00 H new ATOM 0 HA CYS A 59 -8.969 6.273 4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.636 6.834 5.884 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.434 6.378 7.075 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.817 8.619 8.037 1.00 0.00 H new ATOM 834 N GLN A 60 -9.361 8.950 3.894 1.00 0.00 N ATOM 835 CA GLN A 60 -9.377 10.302 3.324 1.00 0.00 C ATOM 836 C GLN A 60 -8.913 11.359 4.338 1.00 0.00 C ATOM 837 O GLN A 60 -7.852 11.950 4.171 1.00 0.00 O ATOM 838 CB GLN A 60 -10.805 10.613 2.848 1.00 0.00 C ATOM 839 CG GLN A 60 -11.262 9.766 1.650 1.00 0.00 C ATOM 840 CD GLN A 60 -12.783 9.821 1.507 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.501 9.485 2.445 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.301 10.168 0.344 1.00 0.00 N ATOM 0 H GLN A 60 -10.191 8.415 3.640 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.679 10.337 2.487 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.496 10.455 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.866 11.667 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.791 10.132 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.940 8.733 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.690 10.444 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.313 10.160 0.213 1.00 0.00 H new ATOM 851 N LYS A 61 -9.644 11.530 5.449 1.00 0.00 N ATOM 852 CA LYS A 61 -9.328 12.515 6.495 1.00 0.00 C ATOM 853 C LYS A 61 -7.886 12.402 7.002 1.00 0.00 C ATOM 854 O LYS A 61 -7.275 13.420 7.295 1.00 0.00 O ATOM 855 CB LYS A 61 -10.372 12.409 7.621 1.00 0.00 C ATOM 856 CG LYS A 61 -10.315 13.498 8.708 1.00 0.00 C ATOM 857 CD LYS A 61 -10.646 14.906 8.199 1.00 0.00 C ATOM 858 CE LYS A 61 -11.128 15.825 9.333 1.00 0.00 C ATOM 859 NZ LYS A 61 -10.105 16.121 10.362 1.00 0.00 N ATOM 0 H LYS A 61 -10.481 10.982 5.649 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.387 13.514 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.364 12.427 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.258 11.438 8.103 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.012 13.238 9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.317 13.507 9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.763 15.340 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.416 14.843 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.472 16.764 8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.988 15.363 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.513 16.745 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.792 15.234 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.291 16.592 9.917 1.00 0.00 H new ATOM 873 N CYS A 62 -7.368 11.180 7.194 1.00 0.00 N ATOM 874 CA CYS A 62 -5.988 10.989 7.649 1.00 0.00 C ATOM 875 C CYS A 62 -5.006 11.353 6.523 1.00 0.00 C ATOM 876 O CYS A 62 -4.045 12.079 6.760 1.00 0.00 O ATOM 877 CB CYS A 62 -5.706 9.572 8.203 1.00 0.00 C ATOM 878 SG CYS A 62 -5.937 9.330 9.966 1.00 0.00 S ATOM 0 H CYS A 62 -7.884 10.313 7.041 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.839 11.664 8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.350 8.867 7.676 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.677 9.310 7.956 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.980 8.581 10.168 1.00 0.00 H new ATOM 883 N GLY A 63 -5.249 10.865 5.304 1.00 0.00 N ATOM 884 CA GLY A 63 -4.405 11.118 4.141 1.00 0.00 C ATOM 885 C GLY A 63 -4.485 12.557 3.631 1.00 0.00 C ATOM 886 O GLY A 63 -3.741 12.917 2.723 1.00 0.00 O ATOM 0 H GLY A 63 -6.053 10.273 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.370 10.888 4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.694 10.440 3.338 1.00 0.00 H new ATOM 890 N SER A 64 -5.333 13.395 4.234 1.00 0.00 N ATOM 891 CA SER A 64 -5.558 14.797 3.910 1.00 0.00 C ATOM 892 C SER A 64 -4.325 15.679 4.204 1.00 0.00 C ATOM 893 O SER A 64 -4.426 16.906 4.217 1.00 0.00 O ATOM 894 CB SER A 64 -6.802 15.252 4.690 1.00 0.00 C ATOM 895 OG SER A 64 -7.394 16.417 4.155 1.00 0.00 O ATOM 0 H SER A 64 -5.916 13.087 5.012 1.00 0.00 H new ATOM 0 HA SER A 64 -5.725 14.908 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.537 14.447 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.526 15.436 5.728 1.00 0.00 H new ATOM 0 HG SER A 64 -6.695 17.067 3.932 1.00 0.00 H new ATOM 901 N GLY A 65 -3.172 15.088 4.527 1.00 0.00 N ATOM 902 CA GLY A 65 -1.936 15.786 4.803 1.00 0.00 C ATOM 903 C GLY A 65 -1.276 16.116 3.474 1.00 0.00 C ATOM 904 O GLY A 65 -0.306 15.462 3.082 1.00 0.00 O ATOM 0 H GLY A 65 -3.081 14.075 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.131 16.697 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.277 15.168 5.413 1.00 0.00 H new ATOM 908 N MET A 66 -1.869 17.024 2.699 1.00 0.00 N ATOM 909 CA MET A 66 -1.325 17.438 1.430 1.00 0.00 C ATOM 910 C MET A 66 -0.100 18.278 1.792 1.00 0.00 C ATOM 911 O MET A 66 -0.227 19.220 2.580 1.00 0.00 O ATOM 912 CB MET A 66 -2.412 18.209 0.673 1.00 0.00 C ATOM 913 CG MET A 66 -1.844 18.859 -0.579 1.00 0.00 C ATOM 914 SD MET A 66 -1.012 17.760 -1.749 1.00 0.00 S ATOM 915 CE MET A 66 0.413 18.801 -2.158 1.00 0.00 C ATOM 0 H MET A 66 -2.743 17.488 2.945 1.00 0.00 H new ATOM 0 HA MET A 66 -1.022 16.626 0.769 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.221 17.532 0.401 1.00 0.00 H new ATOM 0 HB3 MET A 66 -2.840 18.973 1.322 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.658 19.362 -1.102 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.137 19.630 -0.273 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.971 18.348 -2.978 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.067 19.790 -2.457 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.060 18.892 -1.285 1.00 0.00 H new ATOM 925 N ASP A 67 1.062 17.968 1.216 1.00 0.00 N ATOM 926 CA ASP A 67 2.340 18.654 1.465 1.00 0.00 C ATOM 927 C ASP A 67 2.358 20.136 1.042 1.00 0.00 C ATOM 928 O ASP A 67 3.417 20.757 1.035 1.00 0.00 O ATOM 929 CB ASP A 67 3.501 17.871 0.813 1.00 0.00 C ATOM 930 CG ASP A 67 3.855 16.584 1.560 1.00 0.00 C ATOM 931 OD1 ASP A 67 4.229 16.654 2.754 1.00 0.00 O ATOM 932 OD2 ASP A 67 3.768 15.486 0.955 1.00 0.00 O ATOM 0 H ASP A 67 1.147 17.208 0.541 1.00 0.00 H new ATOM 0 HA ASP A 67 2.471 18.668 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.233 17.625 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.382 18.511 0.768 1.00 0.00 H new ATOM 937 N THR A 68 1.223 20.720 0.659 1.00 0.00 N ATOM 938 CA THR A 68 1.097 22.111 0.245 1.00 0.00 C ATOM 939 C THR A 68 1.369 23.084 1.389 1.00 0.00 C ATOM 940 O THR A 68 1.866 24.186 1.143 1.00 0.00 O ATOM 941 CB THR A 68 -0.324 22.336 -0.314 1.00 0.00 C ATOM 942 OG1 THR A 68 -0.448 23.614 -0.903 1.00 0.00 O ATOM 943 CG2 THR A 68 -1.457 22.160 0.710 1.00 0.00 C ATOM 0 H THR A 68 0.336 20.217 0.629 1.00 0.00 H new ATOM 0 HA THR A 68 1.846 22.307 -0.522 1.00 0.00 H new ATOM 0 HB THR A 68 -0.441 21.550 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.358 23.728 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.417 22.338 0.225 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.434 21.145 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.325 22.872 1.525 1.00 0.00 H new ATOM 951 N ASP A 69 1.058 22.700 2.630 1.00 0.00 N ATOM 952 CA ASP A 69 1.249 23.603 3.753 1.00 0.00 C ATOM 953 C ASP A 69 2.721 23.885 4.050 1.00 0.00 C ATOM 954 O ASP A 69 3.597 23.148 3.589 1.00 0.00 O ATOM 955 CB ASP A 69 0.489 23.105 4.981 1.00 0.00 C ATOM 956 CG ASP A 69 0.341 24.216 6.023 1.00 0.00 C ATOM 957 OD1 ASP A 69 0.233 25.402 5.626 1.00 0.00 O ATOM 958 OD2 ASP A 69 0.374 23.911 7.234 1.00 0.00 O ATOM 0 H ASP A 69 0.680 21.785 2.874 1.00 0.00 H new ATOM 0 HA ASP A 69 0.826 24.566 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.497 22.748 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.016 22.258 5.420 1.00 0.00 H new ATOM 963 N ILE A 70 2.970 24.936 4.830 1.00 0.00 N ATOM 964 CA ILE A 70 4.256 25.457 5.277 1.00 0.00 C ATOM 965 C ILE A 70 5.226 24.311 5.594 1.00 0.00 C ATOM 966 O ILE A 70 4.976 23.488 6.481 1.00 0.00 O ATOM 967 CB ILE A 70 4.031 26.417 6.478 1.00 0.00 C ATOM 968 CG1 ILE A 70 3.065 27.579 6.128 1.00 0.00 C ATOM 969 CG2 ILE A 70 5.368 27.008 6.969 1.00 0.00 C ATOM 970 CD1 ILE A 70 2.569 28.362 7.353 1.00 0.00 C ATOM 0 H ILE A 70 2.201 25.496 5.199 1.00 0.00 H new ATOM 0 HA ILE A 70 4.724 26.034 4.479 1.00 0.00 H new ATOM 0 HB ILE A 70 3.579 25.819 7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.569 28.266 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.205 27.176 5.593 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.183 27.676 7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.028 26.201 7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.839 27.565 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.898 29.158 7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.035 27.689 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.421 28.796 7.877 1.00 0.00 H new ATOM 982 N SER A 71 6.329 24.254 4.850 1.00 0.00 N ATOM 983 CA SER A 71 7.387 23.265 4.996 1.00 0.00 C ATOM 984 C SER A 71 8.221 23.540 6.256 1.00 0.00 C ATOM 985 O SER A 71 8.008 24.528 6.966 1.00 0.00 O ATOM 986 CB SER A 71 8.269 23.326 3.734 1.00 0.00 C ATOM 987 OG SER A 71 8.689 24.652 3.433 1.00 0.00 O ATOM 0 H SER A 71 6.514 24.922 4.102 1.00 0.00 H new ATOM 0 HA SER A 71 6.956 22.270 5.106 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.145 22.693 3.875 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.716 22.921 2.887 1.00 0.00 H new ATOM 0 HG SER A 71 9.247 24.644 2.627 1.00 0.00 H new ATOM 993 N GLY A 72 9.163 22.651 6.563 1.00 0.00 N ATOM 994 CA GLY A 72 10.066 22.807 7.691 1.00 0.00 C ATOM 995 C GLY A 72 11.240 23.688 7.234 1.00 0.00 C ATOM 996 O GLY A 72 11.366 23.958 6.034 1.00 0.00 O ATOM 0 H GLY A 72 9.319 21.796 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.549 23.266 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.426 21.835 8.029 1.00 0.00 H new ATOM 1000 N PRO A 73 12.122 24.128 8.147 1.00 0.00 N ATOM 1001 CA PRO A 73 13.265 24.962 7.793 1.00 0.00 C ATOM 1002 C PRO A 73 14.207 24.209 6.846 1.00 0.00 C ATOM 1003 O PRO A 73 14.548 23.040 7.087 1.00 0.00 O ATOM 1004 CB PRO A 73 13.925 25.352 9.119 1.00 0.00 C ATOM 1005 CG PRO A 73 13.471 24.267 10.096 1.00 0.00 C ATOM 1006 CD PRO A 73 12.084 23.885 9.579 1.00 0.00 C ATOM 0 HA PRO A 73 12.974 25.860 7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.011 25.379 9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.607 26.342 9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.150 23.414 10.094 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.430 24.639 11.120 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.859 22.840 9.794 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.308 24.483 10.058 1.00 0.00 H new ATOM 1014 N SER A 74 14.586 24.862 5.752 1.00 0.00 N ATOM 1015 CA SER A 74 15.474 24.342 4.727 1.00 0.00 C ATOM 1016 C SER A 74 16.917 24.741 5.060 1.00 0.00 C ATOM 1017 O SER A 74 17.259 24.923 6.231 1.00 0.00 O ATOM 1018 CB SER A 74 14.933 24.796 3.363 1.00 0.00 C ATOM 1019 OG SER A 74 13.744 24.063 3.105 1.00 0.00 O ATOM 0 H SER A 74 14.267 25.809 5.550 1.00 0.00 H new ATOM 0 HA SER A 74 15.501 23.253 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.729 25.867 3.370 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.670 24.617 2.580 1.00 0.00 H new ATOM 0 HG SER A 74 13.374 24.334 2.239 1.00 0.00 H new ATOM 1025 N SER A 75 17.810 24.762 4.064 1.00 0.00 N ATOM 1026 CA SER A 75 19.208 25.152 4.248 1.00 0.00 C ATOM 1027 C SER A 75 19.336 26.662 4.550 1.00 0.00 C ATOM 1028 O SER A 75 20.443 27.163 4.740 1.00 0.00 O ATOM 1029 CB SER A 75 19.989 24.794 2.978 1.00 0.00 C ATOM 1030 OG SER A 75 19.738 23.452 2.587 1.00 0.00 O ATOM 0 H SER A 75 17.580 24.507 3.104 1.00 0.00 H new ATOM 0 HA SER A 75 19.618 24.614 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 75 19.707 25.470 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.056 24.932 3.152 1.00 0.00 H new ATOM 0 HG SER A 75 20.246 23.248 1.774 1.00 0.00 H new ATOM 1036 N GLY A 76 18.209 27.370 4.540 1.00 0.00 N ATOM 1037 CA GLY A 76 17.919 28.763 4.774 1.00 0.00 C ATOM 1038 C GLY A 76 16.393 28.860 4.778 1.00 0.00 C ATOM 1039 O GLY A 76 15.734 27.797 4.622 1.00 0.00 O ATOM 0 H GLY A 76 17.338 26.882 4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.337 29.098 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.351 29.391 3.995 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.253 -10.341 11.917 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.555 7.882 9.661 1.00 0.00 ZN