USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 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 Set 1.1: A 77 THR OG1 : rot 180:sc= 0.0919 USER MOD Set 1.2: A 100 THR OG1 : rot -62:sc= 0.0941 USER MOD Set 2.1: A 87 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl -114:sc= -3.3! (180deg=-8.95!) USER MOD Set 3.1: A 45 SER OG : rot 160:sc= 0.132 USER MOD Set 3.2: A 61 GLN : amide:sc= 0 X(o=0.13,f=0.13) USER MOD Single : A 12 CYS SG : rot -160:sc= -0.0224 USER MOD Single : A 18 GLN : amide:sc= -0.0532 K(o=-0.053,f=-0.81) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 39 SER OG : rot -100:sc= -1.92 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 19:sc= 0.524 USER MOD Single : A 44 TYR OH : rot 165:sc= -1.05 USER MOD Single : A 48 MET CE :methyl -132:sc= -0.313 (180deg=-3.58!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -147:sc= -1.14 (180deg=-3.01!) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.876 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -72:sc= -2.04 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.387 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -4:sc= 1.01! USER MOD Single : A 86 ASN : amide:sc= -2.05 K(o=-2.1,f=-13!) USER MOD Single : A 94 SER OG : rot 90:sc=-0.000733 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -155:sc= 1.45 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.503 16.649 4.671 1.00 0.00 N ATOM 67 CA PRO A 8 9.778 15.495 4.131 1.00 0.00 C ATOM 68 C PRO A 8 8.856 15.878 2.978 1.00 0.00 C ATOM 69 O PRO A 8 8.479 17.038 2.812 1.00 0.00 O ATOM 70 CB PRO A 8 8.962 14.997 5.326 1.00 0.00 C ATOM 71 CG PRO A 8 8.790 16.197 6.193 1.00 0.00 C ATOM 72 CD PRO A 8 10.040 17.015 6.020 1.00 0.00 C ATOM 0 HA PRO A 8 10.454 14.746 3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.999 14.596 5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.481 14.198 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.908 16.766 5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.653 15.909 7.235 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.836 18.083 6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.785 16.776 6.779 1.00 0.00 H new ATOM 80 N PRO A 9 8.482 14.881 2.162 1.00 0.00 N ATOM 81 CA PRO A 9 7.599 15.090 1.011 1.00 0.00 C ATOM 82 C PRO A 9 6.169 15.414 1.430 1.00 0.00 C ATOM 83 O PRO A 9 5.669 14.891 2.425 1.00 0.00 O ATOM 84 CB PRO A 9 7.650 13.748 0.277 1.00 0.00 C ATOM 85 CG PRO A 9 7.999 12.753 1.329 1.00 0.00 C ATOM 86 CD PRO A 9 8.894 13.474 2.300 1.00 0.00 C ATOM 0 HA PRO A 9 7.916 15.937 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.692 13.514 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.395 13.760 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.103 12.380 1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.506 11.890 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.755 13.113 3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.947 13.337 2.054 1.00 0.00 H new ATOM 94 N GLY A 10 5.514 16.280 0.662 1.00 0.00 N ATOM 95 CA GLY A 10 4.147 16.659 0.970 1.00 0.00 C ATOM 96 C GLY A 10 3.204 15.472 0.977 1.00 0.00 C ATOM 97 O GLY A 10 3.625 14.317 0.903 1.00 0.00 O ATOM 0 H GLY A 10 5.906 16.726 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.119 17.147 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.802 17.389 0.238 1.00 0.00 H new ATOM 101 N PRO A 11 1.896 15.751 1.070 1.00 0.00 N ATOM 102 CA PRO A 11 0.864 14.710 1.090 1.00 0.00 C ATOM 103 C PRO A 11 0.719 14.011 -0.257 1.00 0.00 C ATOM 104 O PRO A 11 0.257 14.609 -1.230 1.00 0.00 O ATOM 105 CB PRO A 11 -0.413 15.483 1.432 1.00 0.00 C ATOM 106 CG PRO A 11 -0.150 16.873 0.966 1.00 0.00 C ATOM 107 CD PRO A 11 1.323 17.104 1.162 1.00 0.00 C ATOM 0 HA PRO A 11 1.100 13.916 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.281 15.055 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.617 15.456 2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.428 16.993 -0.081 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.737 17.593 1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.731 17.766 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.533 17.564 2.128 1.00 0.00 H new ATOM 115 N CYS A 12 1.115 12.745 -0.307 1.00 0.00 N ATOM 116 CA CYS A 12 1.029 11.964 -1.536 1.00 0.00 C ATOM 117 C CYS A 12 -0.425 11.716 -1.923 1.00 0.00 C ATOM 118 O CYS A 12 -1.346 12.178 -1.247 1.00 0.00 O ATOM 119 CB CYS A 12 1.760 10.631 -1.371 1.00 0.00 C ATOM 120 SG CYS A 12 3.393 10.774 -0.607 1.00 0.00 S ATOM 0 H CYS A 12 1.499 12.237 0.489 1.00 0.00 H new ATOM 0 HA CYS A 12 1.506 12.535 -2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.145 9.964 -0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.868 10.165 -2.350 1.00 0.00 H new ATOM 0 HG CYS A 12 4.095 9.715 -0.882 1.00 0.00 H new ATOM 126 N LEU A 13 -0.626 10.987 -3.014 1.00 0.00 N ATOM 127 CA LEU A 13 -1.969 10.678 -3.493 1.00 0.00 C ATOM 128 C LEU A 13 -2.345 9.236 -3.167 1.00 0.00 C ATOM 129 O LEU A 13 -1.488 8.376 -2.963 1.00 0.00 O ATOM 130 CB LEU A 13 -2.061 10.914 -5.001 1.00 0.00 C ATOM 131 CG LEU A 13 -2.219 12.368 -5.445 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.971 12.500 -6.940 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.602 12.889 -5.084 1.00 0.00 C ATOM 0 H LEU A 13 0.124 10.598 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.671 11.340 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.163 10.508 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.906 10.344 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.478 12.970 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.088 13.542 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.959 12.168 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.688 11.885 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.696 13.926 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.360 12.283 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.742 12.832 -4.005 1.00 0.00 H new ATOM 145 N PRO A 14 -3.658 8.963 -3.120 1.00 0.00 N ATOM 146 CA PRO A 14 -4.177 7.625 -2.823 1.00 0.00 C ATOM 147 C PRO A 14 -3.913 6.636 -3.954 1.00 0.00 C ATOM 148 O PRO A 14 -3.974 6.976 -5.135 1.00 0.00 O ATOM 149 CB PRO A 14 -5.681 7.858 -2.658 1.00 0.00 C ATOM 150 CG PRO A 14 -5.966 9.082 -3.458 1.00 0.00 C ATOM 151 CD PRO A 14 -4.735 9.940 -3.354 1.00 0.00 C ATOM 0 HA PRO A 14 -3.700 7.188 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.256 7.006 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.947 7.999 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.179 8.829 -4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.841 9.606 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.566 10.513 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.812 10.657 -2.536 1.00 0.00 H new ATOM 159 N PRO A 15 -3.611 5.382 -3.585 1.00 0.00 N ATOM 160 CA PRO A 15 -3.332 4.318 -4.554 1.00 0.00 C ATOM 161 C PRO A 15 -4.577 3.896 -5.327 1.00 0.00 C ATOM 162 O PRO A 15 -5.638 3.681 -4.742 1.00 0.00 O ATOM 163 CB PRO A 15 -2.828 3.166 -3.681 1.00 0.00 C ATOM 164 CG PRO A 15 -3.435 3.413 -2.342 1.00 0.00 C ATOM 165 CD PRO A 15 -3.520 4.907 -2.195 1.00 0.00 C ATOM 0 HA PRO A 15 -2.620 4.637 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.135 2.201 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.739 3.157 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.423 2.957 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.825 2.977 -1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.391 5.204 -1.611 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.644 5.311 -1.689 1.00 0.00 H new ATOM 173 N ARG A 16 -4.439 3.779 -6.643 1.00 0.00 N ATOM 174 CA ARG A 16 -5.554 3.384 -7.496 1.00 0.00 C ATOM 175 C ARG A 16 -5.652 1.864 -7.591 1.00 0.00 C ATOM 176 O ARG A 16 -4.727 1.199 -8.060 1.00 0.00 O ATOM 177 CB ARG A 16 -5.393 3.984 -8.894 1.00 0.00 C ATOM 178 CG ARG A 16 -5.873 5.422 -8.998 1.00 0.00 C ATOM 179 CD ARG A 16 -7.387 5.513 -8.892 1.00 0.00 C ATOM 180 NE ARG A 16 -7.868 6.877 -9.093 1.00 0.00 N ATOM 181 CZ ARG A 16 -7.710 7.851 -8.204 1.00 0.00 C ATOM 182 NH1 ARG A 16 -7.085 7.613 -7.059 1.00 0.00 N ATOM 183 NH2 ARG A 16 -8.176 9.067 -8.459 1.00 0.00 N ATOM 0 H ARG A 16 -3.566 3.952 -7.142 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.473 3.764 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.342 3.939 -9.181 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.945 3.373 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.415 6.017 -8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.547 5.848 -9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.843 4.855 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.704 5.158 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.352 7.094 -9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.724 6.680 -6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.965 8.363 -6.378 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.656 9.255 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.054 9.814 -7.775 1.00 0.00 H new ATOM 197 N LEU A 17 -6.779 1.320 -7.144 1.00 0.00 N ATOM 198 CA LEU A 17 -6.998 -0.122 -7.178 1.00 0.00 C ATOM 199 C LEU A 17 -6.598 -0.702 -8.531 1.00 0.00 C ATOM 200 O LEU A 17 -7.222 -0.410 -9.550 1.00 0.00 O ATOM 201 CB LEU A 17 -8.466 -0.441 -6.888 1.00 0.00 C ATOM 202 CG LEU A 17 -8.875 -1.907 -7.029 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.033 -2.786 -6.118 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.355 -2.081 -6.722 1.00 0.00 C ATOM 0 H LEU A 17 -7.555 1.855 -6.754 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.374 -0.578 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.693 -0.117 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.086 0.154 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.700 -2.215 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.338 -3.826 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.981 -2.685 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.175 -2.478 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.628 -3.131 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.556 -1.755 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.944 -1.482 -7.417 1.00 0.00 H new ATOM 216 N GLN A 18 -5.554 -1.525 -8.530 1.00 0.00 N ATOM 217 CA GLN A 18 -5.072 -2.147 -9.757 1.00 0.00 C ATOM 218 C GLN A 18 -6.049 -3.208 -10.250 1.00 0.00 C ATOM 219 O GLN A 18 -6.548 -4.018 -9.470 1.00 0.00 O ATOM 220 CB GLN A 18 -3.694 -2.771 -9.530 1.00 0.00 C ATOM 221 CG GLN A 18 -2.823 -2.795 -10.776 1.00 0.00 C ATOM 222 CD GLN A 18 -1.729 -3.841 -10.703 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.963 -4.973 -10.281 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.523 -3.466 -11.116 1.00 0.00 N ATOM 0 H GLN A 18 -5.026 -1.776 -7.694 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.991 -1.372 -10.520 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.178 -2.216 -8.747 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.822 -3.791 -9.167 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.448 -2.989 -11.648 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.372 -1.813 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.373 -2.517 -11.459 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.253 -4.127 -11.091 1.00 0.00 H new ATOM 233 N GLY A 19 -6.320 -3.198 -11.552 1.00 0.00 N ATOM 234 CA GLY A 19 -7.237 -4.164 -12.127 1.00 0.00 C ATOM 235 C GLY A 19 -8.439 -4.421 -11.240 1.00 0.00 C ATOM 236 O GLY A 19 -9.292 -3.549 -11.071 1.00 0.00 O ATOM 0 H GLY A 19 -5.920 -2.538 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.576 -3.805 -13.099 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.710 -5.102 -12.300 1.00 0.00 H new ATOM 240 N ARG A 20 -8.509 -5.621 -10.673 1.00 0.00 N ATOM 241 CA ARG A 20 -9.618 -5.991 -9.802 1.00 0.00 C ATOM 242 C ARG A 20 -9.105 -6.543 -8.475 1.00 0.00 C ATOM 243 O ARG A 20 -8.113 -7.271 -8.419 1.00 0.00 O ATOM 244 CB ARG A 20 -10.510 -7.027 -10.487 1.00 0.00 C ATOM 245 CG ARG A 20 -11.247 -6.488 -11.702 1.00 0.00 C ATOM 246 CD ARG A 20 -12.173 -5.341 -11.329 1.00 0.00 C ATOM 247 NE ARG A 20 -12.984 -4.902 -12.461 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.957 -4.002 -12.362 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.237 -3.449 -11.190 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.651 -3.654 -13.438 1.00 0.00 N ATOM 0 H ARG A 20 -7.811 -6.353 -10.801 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.204 -5.094 -9.601 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.898 -7.876 -10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.238 -7.400 -9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.526 -6.148 -12.445 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.825 -7.289 -12.163 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.826 -5.653 -10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.582 -4.503 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.794 -5.308 -13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.705 -3.714 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.984 -2.759 -11.117 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.438 -4.077 -14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.398 -2.963 -13.362 1.00 0.00 H new ATOM 264 N PRO A 21 -9.795 -6.191 -7.380 1.00 0.00 N ATOM 265 CA PRO A 21 -9.428 -6.640 -6.034 1.00 0.00 C ATOM 266 C PRO A 21 -9.679 -8.131 -5.832 1.00 0.00 C ATOM 267 O PRO A 21 -10.405 -8.759 -6.603 1.00 0.00 O ATOM 268 CB PRO A 21 -10.342 -5.816 -5.124 1.00 0.00 C ATOM 269 CG PRO A 21 -11.517 -5.477 -5.973 1.00 0.00 C ATOM 270 CD PRO A 21 -10.988 -5.327 -7.373 1.00 0.00 C ATOM 0 HA PRO A 21 -8.366 -6.501 -5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.641 -6.385 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.839 -4.917 -4.767 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.273 -6.261 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.990 -4.556 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.720 -5.646 -8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.735 -4.291 -7.599 1.00 0.00 H new ATOM 278 N LYS A 22 -9.075 -8.691 -4.790 1.00 0.00 N ATOM 279 CA LYS A 22 -9.234 -10.108 -4.484 1.00 0.00 C ATOM 280 C LYS A 22 -10.097 -10.303 -3.241 1.00 0.00 C ATOM 281 O LYS A 22 -10.531 -9.335 -2.618 1.00 0.00 O ATOM 282 CB LYS A 22 -7.867 -10.763 -4.277 1.00 0.00 C ATOM 283 CG LYS A 22 -6.881 -10.480 -5.397 1.00 0.00 C ATOM 284 CD LYS A 22 -7.072 -11.436 -6.563 1.00 0.00 C ATOM 285 CE LYS A 22 -6.672 -10.793 -7.882 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.214 -10.938 -8.150 1.00 0.00 N ATOM 0 H LYS A 22 -8.470 -8.185 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.733 -10.583 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.445 -10.413 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.000 -11.841 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.006 -9.454 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.863 -10.567 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.477 -12.334 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.115 -11.749 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.238 -11.249 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.935 -9.735 -7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.981 -10.487 -9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.674 -10.481 -7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.967 -11.947 -8.192 1.00 0.00 H new ATOM 300 N ALA A 23 -10.339 -11.561 -2.886 1.00 0.00 N ATOM 301 CA ALA A 23 -11.146 -11.882 -1.716 1.00 0.00 C ATOM 302 C ALA A 23 -10.441 -11.464 -0.430 1.00 0.00 C ATOM 303 O ALA A 23 -11.049 -10.867 0.458 1.00 0.00 O ATOM 304 CB ALA A 23 -11.464 -13.370 -1.686 1.00 0.00 C ATOM 0 H ALA A 23 -9.988 -12.374 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.079 -11.323 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.067 -13.595 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.017 -13.642 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.536 -13.940 -1.645 1.00 0.00 H new ATOM 310 N LYS A 24 -9.154 -11.781 -0.338 1.00 0.00 N ATOM 311 CA LYS A 24 -8.363 -11.437 0.839 1.00 0.00 C ATOM 312 C LYS A 24 -7.102 -10.677 0.444 1.00 0.00 C ATOM 313 O LYS A 24 -6.150 -10.591 1.219 1.00 0.00 O ATOM 314 CB LYS A 24 -7.987 -12.703 1.613 1.00 0.00 C ATOM 315 CG LYS A 24 -9.186 -13.528 2.049 1.00 0.00 C ATOM 316 CD LYS A 24 -8.837 -14.449 3.206 1.00 0.00 C ATOM 317 CE LYS A 24 -10.066 -14.796 4.032 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.868 -16.040 4.827 1.00 0.00 N ATOM 0 H LYS A 24 -8.636 -12.276 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.968 -10.794 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.339 -13.320 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.410 -12.422 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.998 -12.864 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.547 -14.120 1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.386 -15.364 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.093 -13.970 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.297 -13.969 4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.924 -14.920 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.728 -16.242 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.672 -16.835 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.065 -15.913 5.476 1.00 0.00 H new ATOM 332 N GLU A 25 -7.103 -10.125 -0.765 1.00 0.00 N ATOM 333 CA GLU A 25 -5.958 -9.370 -1.261 1.00 0.00 C ATOM 334 C GLU A 25 -6.411 -8.212 -2.145 1.00 0.00 C ATOM 335 O GLU A 25 -7.516 -8.227 -2.689 1.00 0.00 O ATOM 336 CB GLU A 25 -5.017 -10.287 -2.046 1.00 0.00 C ATOM 337 CG GLU A 25 -4.236 -11.251 -1.169 1.00 0.00 C ATOM 338 CD GLU A 25 -3.895 -12.544 -1.885 1.00 0.00 C ATOM 339 OE1 GLU A 25 -3.139 -12.491 -2.877 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.385 -13.609 -1.453 1.00 0.00 O ATOM 0 H GLU A 25 -7.883 -10.186 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.425 -8.962 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.599 -10.857 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.316 -9.675 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.316 -10.770 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.818 -11.477 -0.276 1.00 0.00 H new ATOM 347 N ILE A 26 -5.550 -7.209 -2.282 1.00 0.00 N ATOM 348 CA ILE A 26 -5.861 -6.042 -3.100 1.00 0.00 C ATOM 349 C ILE A 26 -4.592 -5.404 -3.653 1.00 0.00 C ATOM 350 O ILE A 26 -3.646 -5.139 -2.912 1.00 0.00 O ATOM 351 CB ILE A 26 -6.646 -4.987 -2.299 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.843 -5.632 -1.597 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.105 -3.861 -3.213 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.721 -4.642 -0.865 1.00 0.00 C ATOM 0 H ILE A 26 -4.632 -7.181 -1.838 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.478 -6.392 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.987 -4.567 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.445 -6.162 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.480 -6.376 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.658 -3.123 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.237 -3.386 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.749 -4.266 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.549 -5.170 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.134 -4.130 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.114 -3.912 -1.572 1.00 0.00 H new ATOM 366 N GLN A 27 -4.580 -5.159 -4.959 1.00 0.00 N ATOM 367 CA GLN A 27 -3.426 -4.551 -5.611 1.00 0.00 C ATOM 368 C GLN A 27 -3.559 -3.032 -5.646 1.00 0.00 C ATOM 369 O GLN A 27 -4.620 -2.498 -5.971 1.00 0.00 O ATOM 370 CB GLN A 27 -3.273 -5.093 -7.033 1.00 0.00 C ATOM 371 CG GLN A 27 -2.861 -6.556 -7.085 1.00 0.00 C ATOM 372 CD GLN A 27 -3.386 -7.267 -8.317 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.594 -7.438 -8.481 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.478 -7.686 -9.191 1.00 0.00 N ATOM 0 H GLN A 27 -5.356 -5.372 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.537 -4.807 -5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.218 -4.971 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.531 -4.496 -7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.773 -6.624 -7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.227 -7.065 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.487 -7.523 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.772 -8.171 -10.039 1.00 0.00 H new ATOM 383 N LEU A 28 -2.476 -2.341 -5.307 1.00 0.00 N ATOM 384 CA LEU A 28 -2.471 -0.882 -5.299 1.00 0.00 C ATOM 385 C LEU A 28 -1.445 -0.336 -6.287 1.00 0.00 C ATOM 386 O LEU A 28 -0.328 -0.845 -6.383 1.00 0.00 O ATOM 387 CB LEU A 28 -2.169 -0.362 -3.892 1.00 0.00 C ATOM 388 CG LEU A 28 -3.308 -0.470 -2.878 1.00 0.00 C ATOM 389 CD1 LEU A 28 -4.652 -0.279 -3.562 1.00 0.00 C ATOM 390 CD2 LEU A 28 -3.258 -1.812 -2.162 1.00 0.00 C ATOM 0 H LEU A 28 -1.590 -2.767 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.459 -0.537 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.309 -0.907 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.875 0.685 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.186 0.320 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.450 -0.359 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.686 0.706 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.784 -1.046 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.076 -1.872 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.355 -2.617 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.307 -1.910 -1.638 1.00 0.00 H new ATOM 402 N ARG A 29 -1.831 0.705 -7.017 1.00 0.00 N ATOM 403 CA ARG A 29 -0.945 1.322 -7.997 1.00 0.00 C ATOM 404 C ARG A 29 -0.945 2.840 -7.850 1.00 0.00 C ATOM 405 O ARG A 29 -1.893 3.513 -8.256 1.00 0.00 O ATOM 406 CB ARG A 29 -1.369 0.936 -9.415 1.00 0.00 C ATOM 407 CG ARG A 29 -0.820 1.861 -10.489 1.00 0.00 C ATOM 408 CD ARG A 29 -0.610 1.125 -11.803 1.00 0.00 C ATOM 409 NE ARG A 29 -0.757 2.011 -12.955 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.031 1.582 -14.182 1.00 0.00 C ATOM 411 NH1 ARG A 29 -1.188 0.286 -14.415 1.00 0.00 N ATOM 412 NH2 ARG A 29 -1.150 2.449 -15.179 1.00 0.00 N ATOM 0 H ARG A 29 -2.751 1.139 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 29 0.066 0.957 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.037 -0.082 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.458 0.934 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.509 2.692 -10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.125 2.288 -10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.384 0.678 -11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.327 0.308 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.643 3.014 -12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.098 -0.384 -13.651 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.398 -0.041 -15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.031 3.447 -15.004 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.360 2.118 -16.121 1.00 0.00 H new ATOM 426 N TRP A 30 0.124 3.373 -7.268 1.00 0.00 N ATOM 427 CA TRP A 30 0.246 4.813 -7.068 1.00 0.00 C ATOM 428 C TRP A 30 1.478 5.359 -7.782 1.00 0.00 C ATOM 429 O TRP A 30 2.201 4.618 -8.446 1.00 0.00 O ATOM 430 CB TRP A 30 0.322 5.136 -5.575 1.00 0.00 C ATOM 431 CG TRP A 30 1.497 4.506 -4.890 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.698 5.096 -4.615 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.583 3.166 -4.395 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.525 4.202 -3.979 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.865 3.011 -3.831 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.702 2.081 -4.371 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.285 1.816 -3.253 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.120 0.896 -3.797 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.402 0.771 -3.244 1.00 0.00 C ATOM 0 H TRP A 30 0.918 2.831 -6.927 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.638 5.290 -7.492 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.373 6.217 -5.447 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.595 4.800 -5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 30 2.959 6.115 -4.861 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.477 4.394 -3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.288 2.168 -4.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.273 1.717 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.447 0.051 -3.774 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.699 -0.169 -2.802 1.00 0.00 H new ATOM 450 N GLY A 31 1.711 6.660 -7.639 1.00 0.00 N ATOM 451 CA GLY A 31 2.857 7.283 -8.277 1.00 0.00 C ATOM 452 C GLY A 31 3.566 8.264 -7.364 1.00 0.00 C ATOM 453 O GLY A 31 3.141 8.513 -6.236 1.00 0.00 O ATOM 0 H GLY A 31 1.127 7.294 -7.093 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.559 6.510 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.530 7.801 -9.178 1.00 0.00 H new ATOM 457 N PRO A 32 4.674 8.838 -7.854 1.00 0.00 N ATOM 458 CA PRO A 32 5.468 9.806 -7.090 1.00 0.00 C ATOM 459 C PRO A 32 4.742 11.135 -6.908 1.00 0.00 C ATOM 460 O PRO A 32 4.079 11.637 -7.815 1.00 0.00 O ATOM 461 CB PRO A 32 6.720 9.994 -7.950 1.00 0.00 C ATOM 462 CG PRO A 32 6.284 9.659 -9.334 1.00 0.00 C ATOM 463 CD PRO A 32 5.239 8.588 -9.191 1.00 0.00 C ATOM 0 HA PRO A 32 5.677 9.455 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.092 11.017 -7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.528 9.341 -7.621 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.878 10.536 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.124 9.307 -9.933 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.479 8.662 -9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.673 7.591 -9.264 1.00 0.00 H new ATOM 471 N PRO A 33 4.870 11.719 -5.707 1.00 0.00 N ATOM 472 CA PRO A 33 4.234 12.998 -5.378 1.00 0.00 C ATOM 473 C PRO A 33 4.865 14.169 -6.124 1.00 0.00 C ATOM 474 O PRO A 33 5.894 14.015 -6.784 1.00 0.00 O ATOM 475 CB PRO A 33 4.470 13.134 -3.871 1.00 0.00 C ATOM 476 CG PRO A 33 5.690 12.321 -3.604 1.00 0.00 C ATOM 477 CD PRO A 33 5.646 11.177 -4.579 1.00 0.00 C ATOM 0 HA PRO A 33 3.182 13.015 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.618 14.176 -3.586 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.616 12.766 -3.302 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.593 12.916 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.700 11.958 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.646 10.874 -4.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.166 10.299 -4.147 1.00 0.00 H new ATOM 485 N LEU A 34 4.244 15.338 -6.015 1.00 0.00 N ATOM 486 CA LEU A 34 4.746 16.536 -6.679 1.00 0.00 C ATOM 487 C LEU A 34 5.765 17.258 -5.803 1.00 0.00 C ATOM 488 O LEU A 34 6.723 17.846 -6.304 1.00 0.00 O ATOM 489 CB LEU A 34 3.589 17.477 -7.018 1.00 0.00 C ATOM 490 CG LEU A 34 2.904 17.241 -8.365 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.969 16.044 -8.286 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.145 18.485 -8.802 1.00 0.00 C ATOM 0 H LEU A 34 3.392 15.482 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 34 5.240 16.231 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.838 17.395 -6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.962 18.501 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 34 3.672 17.028 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.491 15.891 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.539 15.154 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.206 16.227 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.664 18.299 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.387 18.729 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.840 19.319 -8.900 1.00 0.00 H new ATOM 504 N VAL A 35 5.552 17.207 -4.492 1.00 0.00 N ATOM 505 CA VAL A 35 6.453 17.854 -3.546 1.00 0.00 C ATOM 506 C VAL A 35 7.283 16.825 -2.786 1.00 0.00 C ATOM 507 O VAL A 35 6.820 16.239 -1.807 1.00 0.00 O ATOM 508 CB VAL A 35 5.678 18.719 -2.534 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.610 19.710 -1.855 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.529 19.441 -3.222 1.00 0.00 C ATOM 0 H VAL A 35 4.763 16.724 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 35 7.116 18.494 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 35 5.261 18.066 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.045 20.312 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.396 19.168 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.058 20.361 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.992 20.048 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.923 20.084 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.848 18.709 -3.657 1.00 0.00 H new ATOM 520 N ASP A 36 8.511 16.609 -3.245 1.00 0.00 N ATOM 521 CA ASP A 36 9.407 15.651 -2.608 1.00 0.00 C ATOM 522 C ASP A 36 10.312 16.345 -1.594 1.00 0.00 C ATOM 523 O ASP A 36 11.369 15.828 -1.234 1.00 0.00 O ATOM 524 CB ASP A 36 10.255 14.936 -3.661 1.00 0.00 C ATOM 525 CG ASP A 36 11.268 15.856 -4.312 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.523 16.946 -3.757 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.806 15.487 -5.376 1.00 0.00 O ATOM 0 H ASP A 36 8.908 17.084 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 36 8.798 14.916 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.775 14.098 -3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.602 14.520 -4.428 1.00 0.00 H new ATOM 532 N GLY A 37 9.890 17.520 -1.138 1.00 0.00 N ATOM 533 CA GLY A 37 10.674 18.266 -0.171 1.00 0.00 C ATOM 534 C GLY A 37 12.017 18.700 -0.725 1.00 0.00 C ATOM 535 O GLY A 37 12.918 19.066 0.029 1.00 0.00 O ATOM 0 H GLY A 37 9.019 17.969 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.114 19.146 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.831 17.652 0.716 1.00 0.00 H new ATOM 539 N GLY A 38 12.152 18.657 -2.047 1.00 0.00 N ATOM 540 CA GLY A 38 13.398 19.049 -2.678 1.00 0.00 C ATOM 541 C GLY A 38 14.294 17.864 -2.980 1.00 0.00 C ATOM 542 O GLY A 38 15.103 17.909 -3.906 1.00 0.00 O ATOM 0 H GLY A 38 11.421 18.358 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.181 19.581 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.928 19.745 -2.027 1.00 0.00 H new ATOM 546 N SER A 39 14.150 16.801 -2.196 1.00 0.00 N ATOM 547 CA SER A 39 14.957 15.600 -2.381 1.00 0.00 C ATOM 548 C SER A 39 14.164 14.520 -3.111 1.00 0.00 C ATOM 549 O SER A 39 12.958 14.362 -2.919 1.00 0.00 O ATOM 550 CB SER A 39 15.436 15.069 -1.028 1.00 0.00 C ATOM 551 OG SER A 39 16.685 14.410 -1.153 1.00 0.00 O ATOM 0 H SER A 39 13.482 16.746 -1.427 1.00 0.00 H new ATOM 0 HA SER A 39 15.823 15.864 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.525 15.894 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.696 14.379 -0.622 1.00 0.00 H new ATOM 0 HG SER A 39 16.542 13.441 -1.179 1.00 0.00 H new ATOM 557 N PRO A 40 14.857 13.759 -3.971 1.00 0.00 N ATOM 558 CA PRO A 40 14.239 12.681 -4.749 1.00 0.00 C ATOM 559 C PRO A 40 13.832 11.498 -3.877 1.00 0.00 C ATOM 560 O PRO A 40 14.677 10.851 -3.258 1.00 0.00 O ATOM 561 CB PRO A 40 15.344 12.270 -5.726 1.00 0.00 C ATOM 562 CG PRO A 40 16.613 12.656 -5.047 1.00 0.00 C ATOM 563 CD PRO A 40 16.297 13.892 -4.250 1.00 0.00 C ATOM 0 HA PRO A 40 13.319 13.005 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.314 11.200 -5.930 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.236 12.780 -6.683 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.969 11.854 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.401 12.851 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.882 13.938 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.515 14.800 -4.813 1.00 0.00 H new ATOM 571 N ILE A 41 12.533 11.220 -3.834 1.00 0.00 N ATOM 572 CA ILE A 41 12.015 10.114 -3.039 1.00 0.00 C ATOM 573 C ILE A 41 12.985 8.936 -3.038 1.00 0.00 C ATOM 574 O ILE A 41 13.641 8.658 -4.042 1.00 0.00 O ATOM 575 CB ILE A 41 10.647 9.637 -3.562 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.684 10.819 -3.686 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.070 8.572 -2.641 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.534 11.614 -2.408 1.00 0.00 C ATOM 0 H ILE A 41 11.821 11.746 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 41 11.896 10.485 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 41 10.785 9.199 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.035 11.482 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.705 10.449 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.103 8.245 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.750 7.721 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.943 8.986 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.837 12.436 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.153 10.966 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.504 12.014 -2.113 1.00 0.00 H new ATOM 590 N SER A 42 13.069 8.247 -1.904 1.00 0.00 N ATOM 591 CA SER A 42 13.959 7.100 -1.772 1.00 0.00 C ATOM 592 C SER A 42 13.164 5.818 -1.543 1.00 0.00 C ATOM 593 O SER A 42 13.525 4.753 -2.046 1.00 0.00 O ATOM 594 CB SER A 42 14.938 7.319 -0.616 1.00 0.00 C ATOM 595 OG SER A 42 16.093 6.512 -0.766 1.00 0.00 O ATOM 0 H SER A 42 12.532 8.463 -1.064 1.00 0.00 H new ATOM 0 HA SER A 42 14.520 6.998 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.227 8.369 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.448 7.086 0.329 1.00 0.00 H new ATOM 0 HG SER A 42 16.703 6.671 -0.016 1.00 0.00 H new ATOM 601 N CYS A 43 12.081 5.929 -0.782 1.00 0.00 N ATOM 602 CA CYS A 43 11.234 4.779 -0.486 1.00 0.00 C ATOM 603 C CYS A 43 9.830 5.226 -0.092 1.00 0.00 C ATOM 604 O CYS A 43 9.652 6.274 0.529 1.00 0.00 O ATOM 605 CB CYS A 43 11.849 3.942 0.636 1.00 0.00 C ATOM 606 SG CYS A 43 13.307 2.997 0.138 1.00 0.00 S ATOM 0 H CYS A 43 11.769 6.803 -0.359 1.00 0.00 H new ATOM 0 HA CYS A 43 11.163 4.169 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.121 4.602 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.095 3.253 1.016 1.00 0.00 H new ATOM 0 HG CYS A 43 13.801 3.503 -0.953 1.00 0.00 H new ATOM 612 N TYR A 44 8.835 4.425 -0.460 1.00 0.00 N ATOM 613 CA TYR A 44 7.446 4.740 -0.149 1.00 0.00 C ATOM 614 C TYR A 44 6.905 3.807 0.930 1.00 0.00 C ATOM 615 O TYR A 44 7.599 2.898 1.387 1.00 0.00 O ATOM 616 CB TYR A 44 6.584 4.635 -1.408 1.00 0.00 C ATOM 617 CG TYR A 44 6.875 5.710 -2.432 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.382 6.999 -2.274 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.643 5.435 -3.556 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.645 7.983 -3.207 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.912 6.413 -4.494 1.00 0.00 C ATOM 622 CZ TYR A 44 7.410 7.686 -4.315 1.00 0.00 C ATOM 623 OH TYR A 44 7.675 8.663 -5.246 1.00 0.00 O ATOM 0 H TYR A 44 8.965 3.553 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 44 7.407 5.762 0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.740 3.658 -1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.533 4.690 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.783 7.236 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.037 4.440 -3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.253 8.980 -3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.512 6.183 -5.362 1.00 0.00 H new ATOM 0 HH TYR A 44 8.408 8.371 -5.827 1.00 0.00 H new ATOM 633 N SER A 45 5.660 4.039 1.333 1.00 0.00 N ATOM 634 CA SER A 45 5.024 3.223 2.361 1.00 0.00 C ATOM 635 C SER A 45 3.505 3.280 2.238 1.00 0.00 C ATOM 636 O SER A 45 2.924 4.351 2.061 1.00 0.00 O ATOM 637 CB SER A 45 5.452 3.693 3.753 1.00 0.00 C ATOM 638 OG SER A 45 4.718 3.026 4.765 1.00 0.00 O ATOM 0 H SER A 45 5.071 4.785 0.963 1.00 0.00 H new ATOM 0 HA SER A 45 5.344 2.191 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.517 3.509 3.891 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.301 4.769 3.839 1.00 0.00 H new ATOM 0 HG SER A 45 5.203 3.087 5.615 1.00 0.00 H new ATOM 644 N VAL A 46 2.865 2.118 2.333 1.00 0.00 N ATOM 645 CA VAL A 46 1.413 2.035 2.233 1.00 0.00 C ATOM 646 C VAL A 46 0.798 1.569 3.549 1.00 0.00 C ATOM 647 O VAL A 46 1.125 0.495 4.051 1.00 0.00 O ATOM 648 CB VAL A 46 0.982 1.074 1.109 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.530 0.907 1.100 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.480 1.574 -0.238 1.00 0.00 C ATOM 0 H VAL A 46 3.330 1.222 2.479 1.00 0.00 H new ATOM 0 HA VAL A 46 1.053 3.038 2.001 1.00 0.00 H new ATOM 0 HB VAL A 46 1.430 0.098 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.816 0.225 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.857 0.501 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.002 1.876 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.167 0.883 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.063 2.561 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.568 1.636 -0.223 1.00 0.00 H new ATOM 660 N GLU A 47 -0.094 2.386 4.100 1.00 0.00 N ATOM 661 CA GLU A 47 -0.755 2.057 5.358 1.00 0.00 C ATOM 662 C GLU A 47 -2.246 1.814 5.142 1.00 0.00 C ATOM 663 O GLU A 47 -3.037 2.754 5.087 1.00 0.00 O ATOM 664 CB GLU A 47 -0.553 3.183 6.375 1.00 0.00 C ATOM 665 CG GLU A 47 -1.380 3.016 7.638 1.00 0.00 C ATOM 666 CD GLU A 47 -1.301 4.225 8.550 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.187 4.550 9.011 1.00 0.00 O ATOM 668 OE2 GLU A 47 -2.355 4.847 8.803 1.00 0.00 O ATOM 0 H GLU A 47 -0.375 3.279 3.696 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.308 1.142 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.502 3.233 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.807 4.134 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.420 2.838 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.037 2.134 8.179 1.00 0.00 H new ATOM 675 N MET A 48 -2.620 0.544 5.019 1.00 0.00 N ATOM 676 CA MET A 48 -4.015 0.176 4.809 1.00 0.00 C ATOM 677 C MET A 48 -4.733 -0.015 6.142 1.00 0.00 C ATOM 678 O MET A 48 -4.137 -0.466 7.120 1.00 0.00 O ATOM 679 CB MET A 48 -4.108 -1.105 3.979 1.00 0.00 C ATOM 680 CG MET A 48 -5.526 -1.632 3.829 1.00 0.00 C ATOM 681 SD MET A 48 -5.580 -3.410 3.534 1.00 0.00 S ATOM 682 CE MET A 48 -5.213 -4.036 5.172 1.00 0.00 C ATOM 0 H MET A 48 -1.977 -0.246 5.061 1.00 0.00 H new ATOM 0 HA MET A 48 -4.501 0.987 4.267 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.693 -0.917 2.989 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.491 -1.874 4.443 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.093 -1.400 4.731 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.016 -1.116 3.003 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.441 -4.802 5.104 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.860 -3.220 5.803 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.115 -4.467 5.607 1.00 0.00 H new ATOM 692 N SER A 49 -6.016 0.332 6.173 1.00 0.00 N ATOM 693 CA SER A 49 -6.814 0.203 7.387 1.00 0.00 C ATOM 694 C SER A 49 -8.274 -0.082 7.049 1.00 0.00 C ATOM 695 O SER A 49 -8.850 0.500 6.130 1.00 0.00 O ATOM 696 CB SER A 49 -6.711 1.477 8.228 1.00 0.00 C ATOM 697 OG SER A 49 -7.895 1.690 8.977 1.00 0.00 O ATOM 0 H SER A 49 -6.525 0.705 5.371 1.00 0.00 H new ATOM 0 HA SER A 49 -6.423 -0.636 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.858 1.403 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.530 2.332 7.577 1.00 0.00 H new ATOM 0 HG SER A 49 -7.804 2.509 9.507 1.00 0.00 H new ATOM 703 N PRO A 50 -8.889 -0.999 7.811 1.00 0.00 N ATOM 704 CA PRO A 50 -10.290 -1.382 7.613 1.00 0.00 C ATOM 705 C PRO A 50 -11.256 -0.268 8.002 1.00 0.00 C ATOM 706 O PRO A 50 -11.451 0.011 9.186 1.00 0.00 O ATOM 707 CB PRO A 50 -10.462 -2.588 8.540 1.00 0.00 C ATOM 708 CG PRO A 50 -9.428 -2.404 9.597 1.00 0.00 C ATOM 709 CD PRO A 50 -8.263 -1.732 8.924 1.00 0.00 C ATOM 0 HA PRO A 50 -10.510 -1.596 6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.464 -2.619 8.968 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.316 -3.525 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.811 -1.794 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.132 -3.362 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.739 -1.060 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.532 -2.457 8.567 1.00 0.00 H new ATOM 717 N ILE A 51 -11.858 0.364 7.000 1.00 0.00 N ATOM 718 CA ILE A 51 -12.805 1.446 7.239 1.00 0.00 C ATOM 719 C ILE A 51 -13.611 1.200 8.510 1.00 0.00 C ATOM 720 O ILE A 51 -13.866 2.123 9.283 1.00 0.00 O ATOM 721 CB ILE A 51 -13.774 1.617 6.055 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.038 2.352 6.505 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.126 0.263 5.458 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.719 3.119 5.393 1.00 0.00 C ATOM 0 H ILE A 51 -11.707 0.145 6.015 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.220 2.358 7.354 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.283 2.214 5.286 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.740 1.629 6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.780 3.043 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.812 0.401 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.218 -0.226 5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.601 -0.357 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.607 3.615 5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -15.033 3.866 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -16.008 2.430 4.600 1.00 0.00 H new ATOM 736 N GLU A 52 -14.008 -0.051 8.720 1.00 0.00 N ATOM 737 CA GLU A 52 -14.784 -0.418 9.898 1.00 0.00 C ATOM 738 C GLU A 52 -14.072 0.016 11.176 1.00 0.00 C ATOM 739 O GLU A 52 -14.679 0.608 12.069 1.00 0.00 O ATOM 740 CB GLU A 52 -15.028 -1.929 9.926 1.00 0.00 C ATOM 741 CG GLU A 52 -13.786 -2.752 9.630 1.00 0.00 C ATOM 742 CD GLU A 52 -14.049 -4.244 9.680 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.548 -4.724 10.718 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.755 -4.931 8.679 1.00 0.00 O ATOM 0 H GLU A 52 -13.805 -0.827 8.090 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.743 0.097 9.844 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.413 -2.208 10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.800 -2.177 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.406 -2.487 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.008 -2.500 10.350 1.00 0.00 H new ATOM 751 N LYS A 53 -12.780 -0.283 11.258 1.00 0.00 N ATOM 752 CA LYS A 53 -11.983 0.076 12.424 1.00 0.00 C ATOM 753 C LYS A 53 -10.671 0.732 12.006 1.00 0.00 C ATOM 754 O LYS A 53 -10.017 0.287 11.063 1.00 0.00 O ATOM 755 CB LYS A 53 -11.697 -1.164 13.274 1.00 0.00 C ATOM 756 CG LYS A 53 -10.969 -2.264 12.520 1.00 0.00 C ATOM 757 CD LYS A 53 -11.157 -3.616 13.187 1.00 0.00 C ATOM 758 CE LYS A 53 -10.860 -4.757 12.226 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.414 -4.829 11.881 1.00 0.00 N ATOM 0 H LYS A 53 -12.262 -0.774 10.529 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.554 0.791 13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.101 -0.872 14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.639 -1.558 13.655 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.337 -2.309 11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.906 -2.028 12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.501 -3.689 14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.180 -3.704 13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.174 -5.700 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.445 -4.626 11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.307 -5.167 10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.989 -3.884 11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.935 -5.486 12.529 1.00 0.00 H new ATOM 773 N ASP A 54 -10.292 1.790 12.714 1.00 0.00 N ATOM 774 CA ASP A 54 -9.056 2.506 12.418 1.00 0.00 C ATOM 775 C ASP A 54 -7.841 1.709 12.885 1.00 0.00 C ATOM 776 O ASP A 54 -7.196 2.065 13.871 1.00 0.00 O ATOM 777 CB ASP A 54 -9.066 3.882 13.084 1.00 0.00 C ATOM 778 CG ASP A 54 -8.107 4.853 12.423 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.006 4.420 12.023 1.00 0.00 O ATOM 780 OD2 ASP A 54 -8.458 6.045 12.305 1.00 0.00 O ATOM 0 H ASP A 54 -10.823 2.171 13.497 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.990 2.635 11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.075 4.292 13.049 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.802 3.775 14.136 1.00 0.00 H new ATOM 785 N GLU A 55 -7.537 0.630 12.172 1.00 0.00 N ATOM 786 CA GLU A 55 -6.401 -0.217 12.516 1.00 0.00 C ATOM 787 C GLU A 55 -5.374 -0.234 11.388 1.00 0.00 C ATOM 788 O GLU A 55 -5.235 -1.214 10.655 1.00 0.00 O ATOM 789 CB GLU A 55 -6.872 -1.643 12.814 1.00 0.00 C ATOM 790 CG GLU A 55 -6.005 -2.370 13.828 1.00 0.00 C ATOM 791 CD GLU A 55 -5.605 -1.487 14.994 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.506 -0.895 15.624 1.00 0.00 O ATOM 793 OE2 GLU A 55 -4.393 -1.388 15.276 1.00 0.00 O ATOM 0 H GLU A 55 -8.061 0.321 11.353 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.929 0.196 13.407 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.897 -1.609 13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.887 -2.214 11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.544 -3.240 14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.107 -2.741 13.333 1.00 0.00 H new ATOM 800 N PRO A 56 -4.637 0.877 11.243 1.00 0.00 N ATOM 801 CA PRO A 56 -3.609 1.015 10.206 1.00 0.00 C ATOM 802 C PRO A 56 -2.398 0.127 10.469 1.00 0.00 C ATOM 803 O PRO A 56 -2.053 -0.145 11.619 1.00 0.00 O ATOM 804 CB PRO A 56 -3.218 2.493 10.290 1.00 0.00 C ATOM 805 CG PRO A 56 -3.544 2.892 11.687 1.00 0.00 C ATOM 806 CD PRO A 56 -4.749 2.083 12.079 1.00 0.00 C ATOM 0 HA PRO A 56 -3.975 0.712 9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.159 2.635 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.773 3.091 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.706 2.693 12.355 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.754 3.960 11.749 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.740 1.838 13.141 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.676 2.622 11.884 1.00 0.00 H new ATOM 814 N ARG A 57 -1.754 -0.321 9.396 1.00 0.00 N ATOM 815 CA ARG A 57 -0.581 -1.179 9.511 1.00 0.00 C ATOM 816 C ARG A 57 0.231 -1.165 8.219 1.00 0.00 C ATOM 817 O ARG A 57 -0.325 -1.067 7.126 1.00 0.00 O ATOM 818 CB ARG A 57 -1.001 -2.611 9.847 1.00 0.00 C ATOM 819 CG ARG A 57 -1.445 -3.415 8.636 1.00 0.00 C ATOM 820 CD ARG A 57 -2.814 -2.973 8.145 1.00 0.00 C ATOM 821 NE ARG A 57 -3.896 -3.601 8.899 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.320 -4.841 8.682 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.756 -5.581 7.737 1.00 0.00 N ATOM 824 NH2 ARG A 57 -5.309 -5.342 9.410 1.00 0.00 N ATOM 0 H ARG A 57 -2.025 -0.104 8.437 1.00 0.00 H new ATOM 0 HA ARG A 57 0.043 -0.793 10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.166 -3.123 10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.815 -2.582 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.715 -3.300 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.474 -4.474 8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.896 -1.889 8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.917 -3.221 7.089 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.351 -3.057 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.995 -5.198 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.083 -6.533 7.572 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.745 -4.775 10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.634 -6.294 9.243 1.00 0.00 H new ATOM 838 N GLU A 58 1.550 -1.264 8.355 1.00 0.00 N ATOM 839 CA GLU A 58 2.438 -1.261 7.198 1.00 0.00 C ATOM 840 C GLU A 58 2.228 -2.511 6.348 1.00 0.00 C ATOM 841 O GLU A 58 2.781 -3.572 6.637 1.00 0.00 O ATOM 842 CB GLU A 58 3.898 -1.177 7.649 1.00 0.00 C ATOM 843 CG GLU A 58 4.895 -1.468 6.539 1.00 0.00 C ATOM 844 CD GLU A 58 6.301 -1.691 7.062 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.838 -0.779 7.725 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.864 -2.777 6.808 1.00 0.00 O ATOM 0 H GLU A 58 2.026 -1.347 9.253 1.00 0.00 H new ATOM 0 HA GLU A 58 2.201 -0.387 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.090 -0.180 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.059 -1.882 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.572 -2.351 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.901 -0.637 5.834 1.00 0.00 H new ATOM 853 N VAL A 59 1.424 -2.377 5.298 1.00 0.00 N ATOM 854 CA VAL A 59 1.140 -3.494 4.405 1.00 0.00 C ATOM 855 C VAL A 59 2.180 -3.588 3.295 1.00 0.00 C ATOM 856 O VAL A 59 2.272 -4.600 2.599 1.00 0.00 O ATOM 857 CB VAL A 59 -0.259 -3.366 3.773 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.333 -3.359 4.850 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.343 -2.111 2.917 1.00 0.00 C ATOM 0 H VAL A 59 0.958 -1.506 5.045 1.00 0.00 H new ATOM 0 HA VAL A 59 1.176 -4.400 5.010 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.429 -4.230 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.314 -3.268 4.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.285 -4.288 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.170 -2.516 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.338 -2.036 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.153 -1.235 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.401 -2.162 2.122 1.00 0.00 H new ATOM 869 N TYR A 60 2.964 -2.527 3.134 1.00 0.00 N ATOM 870 CA TYR A 60 3.997 -2.489 2.107 1.00 0.00 C ATOM 871 C TYR A 60 5.009 -1.383 2.393 1.00 0.00 C ATOM 872 O TYR A 60 4.682 -0.374 3.017 1.00 0.00 O ATOM 873 CB TYR A 60 3.369 -2.276 0.729 1.00 0.00 C ATOM 874 CG TYR A 60 4.381 -2.173 -0.389 1.00 0.00 C ATOM 875 CD1 TYR A 60 5.150 -3.270 -0.760 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.570 -0.980 -1.075 1.00 0.00 C ATOM 877 CE1 TYR A 60 6.077 -3.181 -1.780 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.494 -0.882 -2.098 1.00 0.00 C ATOM 879 CZ TYR A 60 6.245 -1.985 -2.446 1.00 0.00 C ATOM 880 OH TYR A 60 7.167 -1.891 -3.464 1.00 0.00 O ATOM 0 H TYR A 60 2.903 -1.682 3.702 1.00 0.00 H new ATOM 0 HA TYR A 60 4.518 -3.446 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.689 -3.101 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.769 -1.366 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.020 -4.208 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.985 -0.114 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.667 -4.043 -2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.627 0.053 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 60 7.258 -2.762 -3.904 1.00 0.00 H new ATOM 890 N GLN A 61 6.239 -1.582 1.931 1.00 0.00 N ATOM 891 CA GLN A 61 7.300 -0.602 2.137 1.00 0.00 C ATOM 892 C GLN A 61 8.524 -0.940 1.293 1.00 0.00 C ATOM 893 O GLN A 61 9.236 -1.904 1.572 1.00 0.00 O ATOM 894 CB GLN A 61 7.686 -0.541 3.616 1.00 0.00 C ATOM 895 CG GLN A 61 8.536 0.668 3.973 1.00 0.00 C ATOM 896 CD GLN A 61 8.772 0.795 5.465 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.685 0.180 6.015 1.00 0.00 O ATOM 898 NE2 GLN A 61 7.948 1.597 6.129 1.00 0.00 N ATOM 0 H GLN A 61 6.526 -2.412 1.412 1.00 0.00 H new ATOM 0 HA GLN A 61 6.925 0.373 1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.779 -0.528 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.230 -1.448 3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.496 0.596 3.462 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.047 1.571 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.204 2.088 5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.059 1.722 7.135 1.00 0.00 H new ATOM 907 N GLY A 62 8.763 -0.139 0.259 1.00 0.00 N ATOM 908 CA GLY A 62 9.902 -0.370 -0.611 1.00 0.00 C ATOM 909 C GLY A 62 10.267 0.854 -1.426 1.00 0.00 C ATOM 910 O GLY A 62 10.268 1.973 -0.912 1.00 0.00 O ATOM 0 H GLY A 62 8.188 0.666 0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.760 -0.671 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.679 -1.198 -1.284 1.00 0.00 H new ATOM 914 N SER A 63 10.580 0.643 -2.700 1.00 0.00 N ATOM 915 CA SER A 63 10.955 1.738 -3.587 1.00 0.00 C ATOM 916 C SER A 63 9.946 1.887 -4.722 1.00 0.00 C ATOM 917 O SER A 63 9.809 2.961 -5.308 1.00 0.00 O ATOM 918 CB SER A 63 12.353 1.503 -4.161 1.00 0.00 C ATOM 919 OG SER A 63 12.378 0.355 -4.990 1.00 0.00 O ATOM 0 H SER A 63 10.581 -0.277 -3.141 1.00 0.00 H new ATOM 0 HA SER A 63 10.960 2.659 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.666 2.376 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.068 1.383 -3.347 1.00 0.00 H new ATOM 0 HG SER A 63 13.282 0.228 -5.346 1.00 0.00 H new ATOM 925 N GLU A 64 9.242 0.801 -5.026 1.00 0.00 N ATOM 926 CA GLU A 64 8.246 0.811 -6.091 1.00 0.00 C ATOM 927 C GLU A 64 7.039 1.657 -5.700 1.00 0.00 C ATOM 928 O GLU A 64 6.958 2.163 -4.580 1.00 0.00 O ATOM 929 CB GLU A 64 7.799 -0.617 -6.414 1.00 0.00 C ATOM 930 CG GLU A 64 8.635 -1.287 -7.491 1.00 0.00 C ATOM 931 CD GLU A 64 8.150 -0.965 -8.891 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.522 0.099 -9.072 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.398 -1.778 -9.806 1.00 0.00 O ATOM 0 H GLU A 64 9.343 -0.096 -4.550 1.00 0.00 H new ATOM 0 HA GLU A 64 8.704 1.251 -6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.844 -1.217 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.757 -0.599 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.673 -0.971 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.614 -2.367 -7.343 1.00 0.00 H new ATOM 940 N VAL A 65 6.102 1.808 -6.631 1.00 0.00 N ATOM 941 CA VAL A 65 4.898 2.592 -6.384 1.00 0.00 C ATOM 942 C VAL A 65 3.644 1.736 -6.530 1.00 0.00 C ATOM 943 O VAL A 65 2.547 2.256 -6.731 1.00 0.00 O ATOM 944 CB VAL A 65 4.802 3.792 -7.346 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.041 4.667 -7.232 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.608 3.312 -8.776 1.00 0.00 C ATOM 0 H VAL A 65 6.154 1.397 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 65 4.965 2.961 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 65 3.936 4.392 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.956 5.509 -7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.132 5.038 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.925 4.081 -7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.542 4.172 -9.443 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.454 2.690 -9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.689 2.730 -8.843 1.00 0.00 H new ATOM 956 N GLU A 66 3.817 0.422 -6.429 1.00 0.00 N ATOM 957 CA GLU A 66 2.698 -0.506 -6.550 1.00 0.00 C ATOM 958 C GLU A 66 2.968 -1.788 -5.768 1.00 0.00 C ATOM 959 O GLU A 66 3.988 -2.448 -5.971 1.00 0.00 O ATOM 960 CB GLU A 66 2.440 -0.837 -8.022 1.00 0.00 C ATOM 961 CG GLU A 66 3.420 -1.845 -8.600 1.00 0.00 C ATOM 962 CD GLU A 66 2.953 -3.277 -8.428 1.00 0.00 C ATOM 963 OE1 GLU A 66 1.758 -3.545 -8.674 1.00 0.00 O ATOM 964 OE2 GLU A 66 3.782 -4.130 -8.047 1.00 0.00 O ATOM 0 H GLU A 66 4.720 -0.024 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 66 1.813 -0.026 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.427 -1.227 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.490 0.082 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.564 -1.639 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.389 -1.722 -8.117 1.00 0.00 H new ATOM 971 N CYS A 67 2.047 -2.134 -4.875 1.00 0.00 N ATOM 972 CA CYS A 67 2.185 -3.336 -4.061 1.00 0.00 C ATOM 973 C CYS A 67 0.875 -4.115 -4.016 1.00 0.00 C ATOM 974 O CYS A 67 -0.147 -3.665 -4.536 1.00 0.00 O ATOM 975 CB CYS A 67 2.623 -2.969 -2.643 1.00 0.00 C ATOM 976 SG CYS A 67 1.339 -2.159 -1.660 1.00 0.00 S ATOM 0 H CYS A 67 1.197 -1.599 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 67 2.947 -3.968 -4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.943 -3.874 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.490 -2.311 -2.701 1.00 0.00 H new ATOM 0 HG CYS A 67 1.149 -0.952 -2.104 1.00 0.00 H new ATOM 982 N THR A 68 0.912 -5.290 -3.394 1.00 0.00 N ATOM 983 CA THR A 68 -0.271 -6.134 -3.283 1.00 0.00 C ATOM 984 C THR A 68 -0.516 -6.551 -1.838 1.00 0.00 C ATOM 985 O THR A 68 0.308 -7.236 -1.231 1.00 0.00 O ATOM 986 CB THR A 68 -0.143 -7.396 -4.156 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.019 -7.029 -5.535 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.351 -8.304 -3.975 1.00 0.00 C ATOM 0 H THR A 68 1.749 -5.678 -2.959 1.00 0.00 H new ATOM 0 HA THR A 68 -1.116 -5.542 -3.634 1.00 0.00 H new ATOM 0 HB THR A 68 0.750 -7.937 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.064 -7.838 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.238 -9.189 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.426 -8.606 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.255 -7.768 -4.263 1.00 0.00 H new ATOM 996 N VAL A 69 -1.654 -6.135 -1.291 1.00 0.00 N ATOM 997 CA VAL A 69 -2.008 -6.468 0.084 1.00 0.00 C ATOM 998 C VAL A 69 -2.654 -7.846 0.166 1.00 0.00 C ATOM 999 O VAL A 69 -3.111 -8.390 -0.839 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.970 -5.425 0.683 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -2.984 -5.523 2.201 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.583 -4.024 0.235 1.00 0.00 C ATOM 0 H VAL A 69 -2.346 -5.567 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.082 -6.470 0.659 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.976 -5.633 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.669 -4.779 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.312 -6.519 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.981 -5.342 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.273 -3.300 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.569 -3.803 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.629 -3.964 -0.852 1.00 0.00 H new ATOM 1012 N SER A 70 -2.688 -8.406 1.371 1.00 0.00 N ATOM 1013 CA SER A 70 -3.276 -9.724 1.585 1.00 0.00 C ATOM 1014 C SER A 70 -3.799 -9.860 3.012 1.00 0.00 C ATOM 1015 O SER A 70 -3.756 -8.910 3.794 1.00 0.00 O ATOM 1016 CB SER A 70 -2.245 -10.818 1.302 1.00 0.00 C ATOM 1017 OG SER A 70 -1.354 -10.974 2.393 1.00 0.00 O ATOM 0 H SER A 70 -2.316 -7.968 2.214 1.00 0.00 H new ATOM 0 HA SER A 70 -4.114 -9.837 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.755 -11.761 1.107 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.683 -10.568 0.402 1.00 0.00 H new ATOM 0 HG SER A 70 -0.706 -11.680 2.188 1.00 0.00 H new ATOM 1023 N SER A 71 -4.294 -11.048 3.343 1.00 0.00 N ATOM 1024 CA SER A 71 -4.830 -11.309 4.674 1.00 0.00 C ATOM 1025 C SER A 71 -6.047 -10.431 4.952 1.00 0.00 C ATOM 1026 O SER A 71 -6.336 -10.096 6.101 1.00 0.00 O ATOM 1027 CB SER A 71 -3.757 -11.063 5.737 1.00 0.00 C ATOM 1028 OG SER A 71 -3.017 -12.243 5.997 1.00 0.00 O ATOM 0 H SER A 71 -4.335 -11.845 2.708 1.00 0.00 H new ATOM 0 HA SER A 71 -5.140 -12.353 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.084 -10.274 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.225 -10.714 6.657 1.00 0.00 H new ATOM 0 HG SER A 71 -2.337 -12.059 6.678 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.756 -10.062 3.891 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.943 -9.223 4.018 1.00 0.00 C ATOM 1036 C LEU A 72 -9.213 -10.066 3.974 1.00 0.00 C ATOM 1037 O LEU A 72 -9.160 -11.277 3.756 1.00 0.00 O ATOM 1038 CB LEU A 72 -7.973 -8.176 2.903 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.642 -7.494 2.586 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.839 -6.387 1.563 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.009 -6.943 3.856 1.00 0.00 C ATOM 0 H LEU A 72 -6.530 -10.330 2.933 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.899 -8.717 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.339 -8.653 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.697 -7.407 3.173 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.968 -8.237 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.881 -5.913 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.247 -6.809 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.531 -5.644 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.062 -6.461 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.680 -6.214 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.830 -7.758 4.557 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.354 -9.418 4.181 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.640 -10.108 4.162 1.00 0.00 C ATOM 1055 C LEU A 73 -12.448 -9.720 2.928 1.00 0.00 C ATOM 1056 O LEU A 73 -12.520 -8.553 2.545 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.433 -9.782 5.429 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.740 -10.095 6.755 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.563 -9.575 7.924 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.501 -11.591 6.892 1.00 0.00 C ATOM 0 H LEU A 73 -10.415 -8.416 4.364 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.449 -11.181 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.682 -8.721 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.374 -10.331 5.396 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.774 -9.591 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.054 -9.807 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.682 -8.495 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.544 -10.050 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.007 -11.795 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.455 -12.116 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.869 -11.935 6.073 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.072 -10.722 2.291 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.889 -10.511 1.092 1.00 0.00 C ATOM 1074 C PRO A 74 -15.185 -9.766 1.398 1.00 0.00 C ATOM 1075 O PRO A 74 -15.698 -9.826 2.514 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.190 -11.933 0.613 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.090 -12.775 1.838 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.029 -12.138 2.693 1.00 0.00 C ATOM 0 HA PRO A 74 -13.376 -9.897 0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.183 -11.999 0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.478 -12.254 -0.147 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.044 -12.814 2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.824 -13.801 1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.241 -12.261 3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.048 -12.578 2.511 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.709 -9.065 0.397 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.940 -8.319 0.579 1.00 0.00 C ATOM 1088 C GLY A 75 -16.827 -7.269 1.667 1.00 0.00 C ATOM 1089 O GLY A 75 -17.822 -6.901 2.291 1.00 0.00 O ATOM 0 H GLY A 75 -15.303 -9.001 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.211 -7.837 -0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.746 -9.009 0.827 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.611 -6.787 1.896 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.369 -5.773 2.916 1.00 0.00 C ATOM 1095 C LYS A 76 -14.509 -4.640 2.365 1.00 0.00 C ATOM 1096 O LYS A 76 -13.594 -4.870 1.574 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.687 -6.399 4.135 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.579 -7.357 4.905 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.517 -6.616 5.843 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.885 -6.404 7.210 1.00 0.00 C ATOM 1101 NZ LYS A 76 -15.942 -7.636 8.045 1.00 0.00 N ATOM 0 H LYS A 76 -14.777 -7.082 1.389 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.332 -5.360 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.794 -6.931 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.358 -5.605 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.162 -7.955 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.962 -8.049 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.780 -5.651 5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.444 -7.179 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.846 -6.097 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.398 -5.592 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.501 -7.450 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.934 -7.915 8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.431 -8.404 7.566 1.00 0.00 H new ATOM 1115 N THR A 77 -14.807 -3.416 2.789 1.00 0.00 N ATOM 1116 CA THR A 77 -14.061 -2.248 2.338 1.00 0.00 C ATOM 1117 C THR A 77 -12.833 -2.010 3.210 1.00 0.00 C ATOM 1118 O THR A 77 -12.780 -2.451 4.358 1.00 0.00 O ATOM 1119 CB THR A 77 -14.939 -0.982 2.350 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.015 -1.123 1.416 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.116 0.250 2.003 1.00 0.00 C ATOM 0 H THR A 77 -15.560 -3.208 3.445 1.00 0.00 H new ATOM 0 HA THR A 77 -13.743 -2.451 1.315 1.00 0.00 H new ATOM 0 HB THR A 77 -15.345 -0.857 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.569 -0.315 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.757 1.132 2.018 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.316 0.371 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.685 0.131 1.009 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.849 -1.310 2.657 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.620 -1.015 3.384 1.00 0.00 C ATOM 1131 C TYR A 78 -10.015 0.306 2.917 1.00 0.00 C ATOM 1132 O TYR A 78 -9.787 0.510 1.725 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.608 -2.146 3.198 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.886 -3.355 4.063 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.919 -4.232 3.754 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.115 -3.621 5.188 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.177 -5.337 4.542 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.365 -4.725 5.981 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.397 -5.580 5.654 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.650 -6.680 6.440 1.00 0.00 O ATOM 0 H TYR A 78 -11.878 -0.936 1.708 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.866 -0.928 4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.605 -2.451 2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.610 -1.770 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.530 -4.047 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.306 -2.954 5.447 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.985 -6.007 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.756 -4.917 6.852 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.010 -6.706 7.182 1.00 0.00 H new ATOM 1150 N SER A 79 -9.756 1.199 3.867 1.00 0.00 N ATOM 1151 CA SER A 79 -9.180 2.502 3.554 1.00 0.00 C ATOM 1152 C SER A 79 -7.663 2.407 3.420 1.00 0.00 C ATOM 1153 O SER A 79 -6.957 2.155 4.397 1.00 0.00 O ATOM 1154 CB SER A 79 -9.545 3.518 4.638 1.00 0.00 C ATOM 1155 OG SER A 79 -8.701 3.383 5.768 1.00 0.00 O ATOM 0 H SER A 79 -9.936 1.044 4.859 1.00 0.00 H new ATOM 0 HA SER A 79 -9.592 2.835 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.462 4.528 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.584 3.378 4.937 1.00 0.00 H new ATOM 0 HG SER A 79 -8.103 2.617 5.640 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.169 2.610 2.204 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.736 2.547 1.940 1.00 0.00 C ATOM 1163 C PHE A 80 -5.129 3.946 1.895 1.00 0.00 C ATOM 1164 O PHE A 80 -5.809 4.919 1.568 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.471 1.821 0.619 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.803 0.357 0.663 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.098 -0.081 0.437 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.819 -0.582 0.929 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.405 -1.427 0.477 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.121 -1.930 0.970 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.416 -2.354 0.743 1.00 0.00 C ATOM 0 H PHE A 80 -7.740 2.820 1.385 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.266 1.992 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.055 2.294 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.421 1.939 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.876 0.638 0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.805 -0.257 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.419 -1.755 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.345 -2.651 1.179 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.654 -3.407 0.773 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.846 4.038 2.227 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.147 5.318 2.227 1.00 0.00 C ATOM 1183 C ARG A 81 -1.781 5.191 1.558 1.00 0.00 C ATOM 1184 O ARG A 81 -1.412 4.121 1.073 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.980 5.832 3.659 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.287 5.927 4.428 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.939 7.289 4.251 1.00 0.00 C ATOM 1188 NE ARG A 81 -4.456 8.258 5.231 1.00 0.00 N ATOM 1189 CZ ARG A 81 -5.002 9.456 5.411 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -6.045 9.829 4.683 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -4.506 10.282 6.323 1.00 0.00 N ATOM 0 H ARG A 81 -3.269 3.242 2.499 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.746 6.031 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.299 5.171 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.513 6.816 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.969 5.149 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.102 5.746 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.738 7.659 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.020 7.188 4.343 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.656 8.001 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.431 9.196 3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.462 10.749 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.705 9.998 6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.926 11.201 6.460 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.035 6.290 1.536 1.00 0.00 N ATOM 1206 CA LEU A 82 0.290 6.303 0.926 1.00 0.00 C ATOM 1207 C LEU A 82 1.143 7.429 1.501 1.00 0.00 C ATOM 1208 O LEU A 82 0.630 8.489 1.859 1.00 0.00 O ATOM 1209 CB LEU A 82 0.173 6.460 -0.591 1.00 0.00 C ATOM 1210 CG LEU A 82 1.488 6.642 -1.350 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.308 5.362 -1.312 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.220 7.062 -2.788 1.00 0.00 C ATOM 0 H LEU A 82 -1.325 7.183 1.933 1.00 0.00 H new ATOM 0 HA LEU A 82 0.776 5.353 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.335 5.581 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.465 7.319 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 82 2.060 7.431 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.240 5.511 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.530 5.103 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.742 4.553 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.167 7.187 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.627 6.295 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.674 8.005 -2.796 1.00 0.00 H new ATOM 1224 N ARG A 83 2.448 7.192 1.584 1.00 0.00 N ATOM 1225 CA ARG A 83 3.373 8.186 2.115 1.00 0.00 C ATOM 1226 C ARG A 83 4.784 7.956 1.581 1.00 0.00 C ATOM 1227 O ARG A 83 5.263 6.823 1.534 1.00 0.00 O ATOM 1228 CB ARG A 83 3.381 8.142 3.644 1.00 0.00 C ATOM 1229 CG ARG A 83 4.132 6.951 4.215 1.00 0.00 C ATOM 1230 CD ARG A 83 4.322 7.080 5.718 1.00 0.00 C ATOM 1231 NE ARG A 83 4.435 5.778 6.370 1.00 0.00 N ATOM 1232 CZ ARG A 83 4.609 5.623 7.678 1.00 0.00 C ATOM 1233 NH1 ARG A 83 4.690 6.684 8.469 1.00 0.00 N ATOM 1234 NH2 ARG A 83 4.702 4.406 8.196 1.00 0.00 N ATOM 0 H ARG A 83 2.889 6.320 1.290 1.00 0.00 H new ATOM 0 HA ARG A 83 3.036 9.170 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.830 9.060 4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.352 8.119 4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.585 6.035 3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.105 6.866 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.219 7.666 5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.481 7.627 6.144 1.00 0.00 H new ATOM 0 HE ARG A 83 4.377 4.942 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.619 7.622 8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.824 6.563 9.473 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.640 3.588 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.836 4.288 9.200 1.00 0.00 H new ATOM 1248 N ALA A 84 5.444 9.038 1.180 1.00 0.00 N ATOM 1249 CA ALA A 84 6.799 8.954 0.652 1.00 0.00 C ATOM 1250 C ALA A 84 7.822 9.398 1.692 1.00 0.00 C ATOM 1251 O ALA A 84 7.507 10.171 2.596 1.00 0.00 O ATOM 1252 CB ALA A 84 6.927 9.794 -0.610 1.00 0.00 C ATOM 0 H ALA A 84 5.061 9.983 1.211 1.00 0.00 H new ATOM 0 HA ALA A 84 7.002 7.912 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.945 9.722 -0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.229 9.428 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.699 10.835 -0.379 1.00 0.00 H new ATOM 1258 N ALA A 85 9.049 8.905 1.557 1.00 0.00 N ATOM 1259 CA ALA A 85 10.118 9.253 2.484 1.00 0.00 C ATOM 1260 C ALA A 85 11.378 9.676 1.736 1.00 0.00 C ATOM 1261 O ALA A 85 11.635 9.215 0.625 1.00 0.00 O ATOM 1262 CB ALA A 85 10.419 8.081 3.407 1.00 0.00 C ATOM 0 H ALA A 85 9.327 8.263 0.814 1.00 0.00 H new ATOM 0 HA ALA A 85 9.783 10.098 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.220 8.355 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.524 7.826 3.975 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.729 7.221 2.814 1.00 0.00 H new ATOM 1268 N ASN A 86 12.159 10.556 2.353 1.00 0.00 N ATOM 1269 CA ASN A 86 13.392 11.042 1.743 1.00 0.00 C ATOM 1270 C ASN A 86 14.482 11.228 2.795 1.00 0.00 C ATOM 1271 O ASN A 86 14.264 10.982 3.981 1.00 0.00 O ATOM 1272 CB ASN A 86 13.139 12.365 1.016 1.00 0.00 C ATOM 1273 CG ASN A 86 12.458 13.390 1.902 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.375 13.219 3.118 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.965 14.463 1.293 1.00 0.00 N ATOM 0 H ASN A 86 11.961 10.947 3.274 1.00 0.00 H new ATOM 0 HA ASN A 86 13.730 10.297 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.087 12.768 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.522 12.181 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.495 15.187 1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.057 14.563 0.282 1.00 0.00 H new ATOM 1282 N LYS A 87 15.656 11.663 2.351 1.00 0.00 N ATOM 1283 CA LYS A 87 16.781 11.883 3.252 1.00 0.00 C ATOM 1284 C LYS A 87 16.326 12.581 4.529 1.00 0.00 C ATOM 1285 O LYS A 87 16.962 12.457 5.576 1.00 0.00 O ATOM 1286 CB LYS A 87 17.861 12.718 2.559 1.00 0.00 C ATOM 1287 CG LYS A 87 17.347 14.035 2.002 1.00 0.00 C ATOM 1288 CD LYS A 87 18.454 15.072 1.912 1.00 0.00 C ATOM 1289 CE LYS A 87 17.894 16.466 1.673 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.883 17.526 2.008 1.00 0.00 N ATOM 0 H LYS A 87 15.853 11.870 1.372 1.00 0.00 H new ATOM 0 HA LYS A 87 17.197 10.911 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.663 12.921 3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.295 12.134 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.920 13.871 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.545 14.412 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.036 15.066 2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.136 14.809 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.597 16.564 0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.996 16.604 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.391 18.434 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.372 17.277 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.578 17.608 1.239 1.00 0.00 H new ATOM 1304 N MET A 88 15.222 13.315 4.437 1.00 0.00 N ATOM 1305 CA MET A 88 14.681 14.030 5.587 1.00 0.00 C ATOM 1306 C MET A 88 13.885 13.090 6.486 1.00 0.00 C ATOM 1307 O MET A 88 14.186 12.944 7.670 1.00 0.00 O ATOM 1308 CB MET A 88 13.792 15.186 5.123 1.00 0.00 C ATOM 1309 CG MET A 88 14.513 16.189 4.237 1.00 0.00 C ATOM 1310 SD MET A 88 15.770 17.126 5.129 1.00 0.00 S ATOM 1311 CE MET A 88 17.194 16.059 4.927 1.00 0.00 C ATOM 0 H MET A 88 14.684 13.430 3.578 1.00 0.00 H new ATOM 0 HA MET A 88 15.517 14.431 6.160 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.938 14.781 4.580 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.397 15.704 5.997 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.980 15.663 3.405 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.786 16.879 3.810 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.490 15.660 5.897 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.940 15.236 4.259 1.00 0.00 H new ATOM 0 HE3 MET A 88 18.019 16.630 4.502 1.00 0.00 H new ATOM 1321 N GLY A 89 12.865 12.454 5.916 1.00 0.00 N ATOM 1322 CA GLY A 89 12.042 11.537 6.681 1.00 0.00 C ATOM 1323 C GLY A 89 10.706 11.266 6.018 1.00 0.00 C ATOM 1324 O GLY A 89 10.447 11.738 4.911 1.00 0.00 O ATOM 0 H GLY A 89 12.595 12.558 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.577 10.596 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.873 11.949 7.676 1.00 0.00 H new ATOM 1328 N PHE A 90 9.854 10.503 6.696 1.00 0.00 N ATOM 1329 CA PHE A 90 8.539 10.168 6.164 1.00 0.00 C ATOM 1330 C PHE A 90 7.575 11.341 6.317 1.00 0.00 C ATOM 1331 O PHE A 90 7.528 11.988 7.362 1.00 0.00 O ATOM 1332 CB PHE A 90 7.977 8.935 6.876 1.00 0.00 C ATOM 1333 CG PHE A 90 8.350 7.639 6.216 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.652 7.183 5.110 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.400 6.876 6.703 1.00 0.00 C ATOM 1336 CE1 PHE A 90 7.994 5.991 4.500 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.746 5.684 6.097 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.042 5.240 4.995 1.00 0.00 C ATOM 0 H PHE A 90 10.051 10.106 7.614 1.00 0.00 H new ATOM 0 HA PHE A 90 8.649 9.948 5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.335 8.925 7.905 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.891 9.013 6.917 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.831 7.766 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.953 7.217 7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.442 5.647 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.567 5.099 6.485 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.310 4.307 4.521 1.00 0.00 H new ATOM 1348 N GLY A 91 6.807 11.610 5.265 1.00 0.00 N ATOM 1349 CA GLY A 91 5.856 12.705 5.302 1.00 0.00 C ATOM 1350 C GLY A 91 4.452 12.242 5.637 1.00 0.00 C ATOM 1351 O GLY A 91 4.233 11.104 6.054 1.00 0.00 O ATOM 0 H GLY A 91 6.827 11.089 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.179 13.438 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.848 13.208 4.335 1.00 0.00 H new ATOM 1355 N PRO A 92 3.470 13.138 5.456 1.00 0.00 N ATOM 1356 CA PRO A 92 2.063 12.838 5.738 1.00 0.00 C ATOM 1357 C PRO A 92 1.472 11.844 4.744 1.00 0.00 C ATOM 1358 O PRO A 92 1.848 11.824 3.572 1.00 0.00 O ATOM 1359 CB PRO A 92 1.377 14.200 5.604 1.00 0.00 C ATOM 1360 CG PRO A 92 2.255 14.978 4.687 1.00 0.00 C ATOM 1361 CD PRO A 92 3.658 14.512 4.962 1.00 0.00 C ATOM 0 HA PRO A 92 1.933 12.374 6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.371 14.098 5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.281 14.692 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.983 14.804 3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.157 16.048 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.273 14.535 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.153 15.141 5.702 1.00 0.00 H new ATOM 1369 N PHE A 93 0.545 11.019 5.220 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.098 10.022 4.372 1.00 0.00 C ATOM 1371 C PHE A 93 -1.073 10.680 3.400 1.00 0.00 C ATOM 1372 O PHE A 93 -1.507 11.812 3.611 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.835 8.991 5.231 1.00 0.00 C ATOM 1374 CG PHE A 93 0.011 7.808 5.605 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.325 6.839 4.667 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.493 7.666 6.897 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.104 5.749 5.008 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.273 6.578 7.244 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.577 5.618 6.299 1.00 0.00 C ATOM 0 H PHE A 93 0.223 11.021 6.188 1.00 0.00 H new ATOM 0 HA PHE A 93 0.677 9.518 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.191 9.475 6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.715 8.642 4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.043 6.936 3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.257 8.413 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.342 5.001 4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.644 6.479 8.253 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.184 4.766 6.569 1.00 0.00 H new ATOM 1389 N SER A 94 -1.411 9.962 2.334 1.00 0.00 N ATOM 1390 CA SER A 94 -2.331 10.477 1.326 1.00 0.00 C ATOM 1391 C SER A 94 -3.777 10.355 1.797 1.00 0.00 C ATOM 1392 O SER A 94 -4.039 9.967 2.934 1.00 0.00 O ATOM 1393 CB SER A 94 -2.147 9.726 0.006 1.00 0.00 C ATOM 1394 OG SER A 94 -2.593 8.385 0.116 1.00 0.00 O ATOM 0 H SER A 94 -1.062 9.022 2.146 1.00 0.00 H new ATOM 0 HA SER A 94 -2.106 11.532 1.170 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.700 10.233 -0.785 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.096 9.741 -0.281 1.00 0.00 H new ATOM 0 HG SER A 94 -3.542 8.335 -0.123 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.711 10.690 0.912 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.130 10.618 1.237 1.00 0.00 C ATOM 1402 C GLU A 95 -6.596 9.168 1.325 1.00 0.00 C ATOM 1403 O GLU A 95 -6.170 8.318 0.543 1.00 0.00 O ATOM 1404 CB GLU A 95 -6.955 11.367 0.187 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.628 12.848 0.100 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.805 13.679 -0.374 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.173 13.562 -1.562 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.358 14.444 0.443 1.00 0.00 O ATOM 0 H GLU A 95 -4.510 11.013 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.278 11.088 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.789 10.909 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.014 11.250 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.308 13.204 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.789 12.992 -0.581 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.473 8.891 2.284 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.999 7.545 2.477 1.00 0.00 C ATOM 1417 C LYS A 96 -8.858 7.121 1.289 1.00 0.00 C ATOM 1418 O LYS A 96 -9.839 7.785 0.953 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.822 7.476 3.765 1.00 0.00 C ATOM 1420 CG LYS A 96 -10.010 8.422 3.780 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.695 8.435 5.136 1.00 0.00 C ATOM 1422 CE LYS A 96 -10.028 9.415 6.088 1.00 0.00 C ATOM 1423 NZ LYS A 96 -10.628 10.775 5.994 1.00 0.00 N ATOM 0 H LYS A 96 -7.835 9.582 2.941 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.155 6.860 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.179 6.456 3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.175 7.705 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.677 9.429 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.724 8.123 3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.744 8.703 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.671 7.434 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.119 9.048 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.963 9.472 5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.146 11.414 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.519 11.136 5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.639 10.726 6.233 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.483 6.013 0.660 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.220 5.501 -0.490 1.00 0.00 C ATOM 1439 C CYS A 97 -9.876 4.164 -0.163 1.00 0.00 C ATOM 1440 O CYS A 97 -9.222 3.121 -0.172 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.287 5.345 -1.692 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.094 4.698 -3.174 1.00 0.00 S ATOM 0 H CYS A 97 -7.674 5.452 0.926 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.002 6.218 -0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.847 6.315 -1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.467 4.681 -1.418 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.224 4.604 -4.136 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.172 4.202 0.126 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.918 2.993 0.457 1.00 0.00 C ATOM 1450 C ASP A 98 -12.000 2.059 -0.746 1.00 0.00 C ATOM 1451 O ASP A 98 -12.456 2.452 -1.820 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.325 3.352 0.937 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.391 3.552 2.438 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -12.914 2.666 3.177 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -13.920 4.596 2.874 1.00 0.00 O ATOM 0 H ASP A 98 -11.728 5.057 0.138 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.390 2.477 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.655 4.263 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.017 2.561 0.648 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.553 0.821 -0.559 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.577 -0.168 -1.629 1.00 0.00 C ATOM 1462 C ILE A 99 -12.317 -1.429 -1.196 1.00 0.00 C ATOM 1463 O ILE A 99 -11.947 -2.075 -0.215 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.152 -0.550 -2.074 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.454 0.653 -2.711 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.196 -1.720 -3.045 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -7.969 0.449 -2.919 1.00 0.00 C ATOM 0 H ILE A 99 -11.170 0.480 0.323 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.102 0.288 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.582 -0.854 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.921 0.867 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.608 1.528 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.182 -1.978 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.658 -2.579 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.779 -1.443 -3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.539 1.341 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.489 0.265 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.808 -0.406 -3.575 1.00 0.00 H new ATOM 1479 N THR A 100 -13.366 -1.776 -1.936 1.00 0.00 N ATOM 1480 CA THR A 100 -14.159 -2.960 -1.629 1.00 0.00 C ATOM 1481 C THR A 100 -13.568 -4.202 -2.287 1.00 0.00 C ATOM 1482 O THR A 100 -13.451 -4.275 -3.510 1.00 0.00 O ATOM 1483 CB THR A 100 -15.619 -2.794 -2.092 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.084 -1.475 -1.780 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.518 -3.825 -1.426 1.00 0.00 C ATOM 0 H THR A 100 -13.686 -1.254 -2.752 1.00 0.00 H new ATOM 0 HA THR A 100 -14.141 -3.081 -0.546 1.00 0.00 H new ATOM 0 HB THR A 100 -15.655 -2.946 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.073 -1.345 -0.809 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.544 -3.688 -1.768 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.179 -4.827 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.477 -3.699 -0.344 1.00 0.00 H new ATOM 1493 N THR A 101 -13.198 -5.181 -1.466 1.00 0.00 N ATOM 1494 CA THR A 101 -12.619 -6.421 -1.968 1.00 0.00 C ATOM 1495 C THR A 101 -13.642 -7.222 -2.765 1.00 0.00 C ATOM 1496 O THR A 101 -14.775 -6.782 -2.958 1.00 0.00 O ATOM 1497 CB THR A 101 -12.082 -7.295 -0.819 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.080 -7.435 0.198 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.822 -6.688 -0.221 1.00 0.00 C ATOM 0 H THR A 101 -13.289 -5.139 -0.451 1.00 0.00 H new ATOM 0 HA THR A 101 -11.791 -6.142 -2.620 1.00 0.00 H new ATOM 0 HB THR A 101 -11.836 -8.277 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.648 -7.624 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.461 -7.323 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.055 -6.611 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.046 -5.695 0.169 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.235 -8.400 -3.226 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.118 -9.264 -4.001 1.00 0.00 C ATOM 1509 C ALA A 102 -15.048 -10.057 -3.089 1.00 0.00 C ATOM 1510 O ALA A 102 -14.702 -10.403 -1.959 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.302 -10.205 -4.874 1.00 0.00 C ATOM 0 H ALA A 102 -12.300 -8.778 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.733 -8.633 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.974 -10.844 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.684 -9.623 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.663 -10.823 -4.244 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.257 -10.353 -3.589 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.261 -11.110 -2.836 1.00 0.00 C ATOM 1519 C PRO A 103 -16.870 -12.572 -2.654 1.00 0.00 C ATOM 1520 O PRO A 103 -17.628 -13.362 -2.093 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.516 -10.996 -3.705 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.002 -10.768 -5.085 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.736 -9.973 -4.929 1.00 0.00 C ATOM 0 HA PRO A 103 -17.389 -10.723 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.118 -11.903 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.151 -10.172 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.809 -11.714 -5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.731 -10.227 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.008 -10.221 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.923 -8.902 -5.000 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.681 -12.926 -3.133 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.210 -14.293 -3.013 1.00 0.00 C ATOM 1533 C GLY A 104 -15.454 -15.103 -4.271 1.00 0.00 C ATOM 1534 O GLY A 104 -16.596 -15.279 -4.693 1.00 0.00 O ATOM 0 H GLY A 104 -15.036 -12.290 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.143 -14.288 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.710 -14.774 -2.172 1.00 0.00 H new