USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 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: B 44 THR OG1 : rot 147:sc= 1.59 USER MOD Set 1.2: B 47 SER OG : rot -79:sc= 0.627! USER MOD Set 2.1: B 19 LYS NZ :NH3+ 155:sc= -0.195 (180deg=-1.01) USER MOD Set 2.2: B 62 TYR OH : rot 180:sc= -0.0235 USER MOD Set 3.1: A 44 THR OG1 : rot 147:sc= 1.49 USER MOD Set 3.2: A 47 SER OG : rot -79:sc= 0.427! USER MOD Set 4.1: A 19 LYS NZ :NH3+ 159:sc= -0.2 (180deg=-1.01) USER MOD Set 4.2: A 62 TYR OH : rot 180:sc= -0.023 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.483 USER MOD Single : A 14 SER OG : rot -90:sc= 1.67 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 51:sc= 0.233 USER MOD Single : A 23 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 44:sc= -1.35! USER MOD Single : A 32 SER OG : rot -130:sc= -0.307 USER MOD Single : A 33 SER OG : rot 180:sc= -0.15 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -3.93! C(o=-3.9!,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -4.04! (180deg=-4.91!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.82! C(o=-2.8!,f=-1.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 169:sc= -0.53 USER MOD Single : B 14 SER OG : rot -99:sc= 1.73 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 50:sc= 0.248! USER MOD Single : B 23 ASN : amide:sc= -0.429 K(o=-0.43,f=-1.2) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 28:sc= -1.53! USER MOD Single : B 32 SER OG : rot -130:sc= -0.324 USER MOD Single : B 33 SER OG : rot 180:sc= -0.141 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 GLN : amide:sc= -3.95! C(o=-3.9!,f=-11!) USER MOD Single : B 45 LYS NZ :NH3+ 159:sc= -4.03! (180deg=-5.02!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -2.88! C(o=-2.9!,f=-1.9!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.081 9.557 -3.891 1.00 0.00 N ATOM 52 CA SER A 5 -11.578 10.028 -2.565 1.00 0.00 C ATOM 53 C SER A 5 -10.552 9.677 -1.474 1.00 0.00 C ATOM 54 O SER A 5 -9.955 10.546 -0.870 1.00 0.00 O ATOM 55 CB SER A 5 -12.939 9.373 -2.269 1.00 0.00 C ATOM 56 OG SER A 5 -13.897 10.393 -2.011 1.00 0.00 O ATOM 0 HA SER A 5 -11.707 11.110 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.256 8.764 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.858 8.707 -1.410 1.00 0.00 H new ATOM 0 HG SER A 5 -14.768 9.984 -1.823 1.00 0.00 H new ATOM 62 N ASP A 6 -10.345 8.411 -1.216 1.00 0.00 N ATOM 63 CA ASP A 6 -9.360 8.010 -0.164 1.00 0.00 C ATOM 64 C ASP A 6 -8.875 6.575 -0.426 1.00 0.00 C ATOM 65 O ASP A 6 -9.208 5.675 0.319 1.00 0.00 O ATOM 66 CB ASP A 6 -10.029 8.062 1.216 1.00 0.00 C ATOM 67 CG ASP A 6 -10.802 9.375 1.366 1.00 0.00 C ATOM 68 OD1 ASP A 6 -10.182 10.368 1.708 1.00 0.00 O ATOM 69 OD2 ASP A 6 -11.999 9.363 1.135 1.00 0.00 O ATOM 0 H ASP A 6 -10.814 7.638 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.514 8.696 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.705 7.215 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.275 7.981 1.999 1.00 0.00 H new ATOM 74 N PRO A 7 -8.103 6.392 -1.477 1.00 0.00 N ATOM 75 CA PRO A 7 -7.582 5.056 -1.827 1.00 0.00 C ATOM 76 C PRO A 7 -6.619 4.562 -0.724 1.00 0.00 C ATOM 77 O PRO A 7 -6.216 5.334 0.122 1.00 0.00 O ATOM 78 CB PRO A 7 -6.846 5.259 -3.174 1.00 0.00 C ATOM 79 CG PRO A 7 -6.926 6.775 -3.529 1.00 0.00 C ATOM 80 CD PRO A 7 -7.697 7.481 -2.391 1.00 0.00 C ATOM 0 HA PRO A 7 -8.366 4.303 -1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.807 4.938 -3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.307 4.657 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.926 7.197 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.434 6.919 -4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.069 8.211 -1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.564 8.019 -2.775 1.00 0.00 H new ATOM 88 N PRO A 8 -6.269 3.289 -0.767 1.00 0.00 N ATOM 89 CA PRO A 8 -5.348 2.703 0.229 1.00 0.00 C ATOM 90 C PRO A 8 -3.987 3.418 0.176 1.00 0.00 C ATOM 91 O PRO A 8 -3.877 4.528 -0.304 1.00 0.00 O ATOM 92 CB PRO A 8 -5.216 1.214 -0.178 1.00 0.00 C ATOM 93 CG PRO A 8 -5.997 1.027 -1.511 1.00 0.00 C ATOM 94 CD PRO A 8 -6.757 2.341 -1.792 1.00 0.00 C ATOM 0 HA PRO A 8 -5.713 2.808 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.168 0.942 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.621 0.566 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.312 0.798 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.692 0.191 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.554 2.708 -2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.835 2.198 -1.717 1.00 0.00 H new ATOM 102 N THR A 9 -2.954 2.783 0.667 1.00 0.00 N ATOM 103 CA THR A 9 -1.603 3.417 0.646 1.00 0.00 C ATOM 104 C THR A 9 -0.525 2.333 0.679 1.00 0.00 C ATOM 105 O THR A 9 -0.537 1.451 1.515 1.00 0.00 O ATOM 106 CB THR A 9 -1.446 4.323 1.869 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.614 5.115 2.023 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.230 5.232 1.682 1.00 0.00 C ATOM 0 H THR A 9 -2.988 1.852 1.082 1.00 0.00 H new ATOM 0 HA THR A 9 -1.497 4.007 -0.264 1.00 0.00 H new ATOM 0 HB THR A 9 -1.303 3.710 2.759 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.583 5.579 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.120 5.876 2.554 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.666 4.622 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.368 5.846 0.792 1.00 0.00 H new ATOM 116 N ALA A 10 0.407 2.397 -0.229 1.00 0.00 N ATOM 117 CA ALA A 10 1.492 1.380 -0.264 1.00 0.00 C ATOM 118 C ALA A 10 2.415 1.562 0.943 1.00 0.00 C ATOM 119 O ALA A 10 3.466 2.162 0.843 1.00 0.00 O ATOM 120 CB ALA A 10 2.300 1.557 -1.548 1.00 0.00 C ATOM 0 H ALA A 10 0.464 3.114 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 10 1.054 0.382 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.098 0.815 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.646 1.426 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.734 2.557 -1.570 1.00 0.00 H new ATOM 126 N CYS A 11 2.031 1.037 2.080 1.00 0.00 N ATOM 127 CA CYS A 11 2.882 1.161 3.305 1.00 0.00 C ATOM 128 C CYS A 11 3.478 -0.212 3.627 1.00 0.00 C ATOM 129 O CYS A 11 2.807 -1.222 3.548 1.00 0.00 O ATOM 130 CB CYS A 11 2.019 1.632 4.481 1.00 0.00 C ATOM 131 SG CYS A 11 1.179 3.173 4.033 1.00 0.00 S ATOM 0 H CYS A 11 1.159 0.525 2.214 1.00 0.00 H new ATOM 0 HA CYS A 11 3.680 1.884 3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.286 0.867 4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.640 1.787 5.363 1.00 0.00 H new ATOM 136 N CYS A 12 4.734 -0.261 3.979 1.00 0.00 N ATOM 137 CA CYS A 12 5.365 -1.574 4.294 1.00 0.00 C ATOM 138 C CYS A 12 4.830 -2.093 5.629 1.00 0.00 C ATOM 139 O CYS A 12 4.581 -1.336 6.546 1.00 0.00 O ATOM 140 CB CYS A 12 6.885 -1.408 4.383 1.00 0.00 C ATOM 141 SG CYS A 12 7.544 -0.964 2.755 1.00 0.00 S ATOM 0 H CYS A 12 5.349 0.549 4.062 1.00 0.00 H new ATOM 0 HA CYS A 12 5.125 -2.286 3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.135 -0.636 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.342 -2.334 4.731 1.00 0.00 H new ATOM 146 N PHE A 13 4.658 -3.386 5.744 1.00 0.00 N ATOM 147 CA PHE A 13 4.145 -3.978 7.018 1.00 0.00 C ATOM 148 C PHE A 13 5.316 -4.604 7.778 1.00 0.00 C ATOM 149 O PHE A 13 5.242 -4.861 8.962 1.00 0.00 O ATOM 150 CB PHE A 13 3.117 -5.064 6.694 1.00 0.00 C ATOM 151 CG PHE A 13 3.796 -6.189 5.949 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.085 -6.049 4.579 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.144 -7.374 6.626 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.721 -7.095 3.885 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.780 -8.419 5.933 1.00 0.00 C ATOM 156 CZ PHE A 13 5.069 -8.281 4.561 1.00 0.00 C ATOM 0 H PHE A 13 4.852 -4.062 5.005 1.00 0.00 H new ATOM 0 HA PHE A 13 3.677 -3.203 7.625 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.667 -5.440 7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.310 -4.648 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.819 -5.140 4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.922 -7.480 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.942 -6.988 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.047 -9.327 6.452 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.557 -9.084 4.028 1.00 0.00 H new ATOM 166 N SER A 14 6.400 -4.847 7.092 1.00 0.00 N ATOM 167 CA SER A 14 7.590 -5.453 7.749 1.00 0.00 C ATOM 168 C SER A 14 8.835 -5.093 6.939 1.00 0.00 C ATOM 169 O SER A 14 8.870 -4.088 6.256 1.00 0.00 O ATOM 170 CB SER A 14 7.431 -6.974 7.793 1.00 0.00 C ATOM 171 OG SER A 14 7.536 -7.495 6.475 1.00 0.00 O ATOM 0 H SER A 14 6.511 -4.650 6.097 1.00 0.00 H new ATOM 0 HA SER A 14 7.686 -5.074 8.766 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.197 -7.413 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.466 -7.238 8.225 1.00 0.00 H new ATOM 0 HG SER A 14 6.647 -7.525 6.063 1.00 0.00 H new ATOM 177 N TYR A 15 9.862 -5.895 7.008 1.00 0.00 N ATOM 178 CA TYR A 15 11.105 -5.585 6.239 1.00 0.00 C ATOM 179 C TYR A 15 11.864 -6.882 5.957 1.00 0.00 C ATOM 180 O TYR A 15 11.711 -7.865 6.657 1.00 0.00 O ATOM 181 CB TYR A 15 11.992 -4.639 7.060 1.00 0.00 C ATOM 182 CG TYR A 15 11.131 -3.614 7.759 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.804 -2.407 7.113 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.651 -3.870 9.058 1.00 0.00 C ATOM 185 CE1 TYR A 15 9.998 -1.455 7.766 1.00 0.00 C ATOM 186 CE2 TYR A 15 9.845 -2.918 9.711 1.00 0.00 C ATOM 187 CZ TYR A 15 9.519 -1.710 9.065 1.00 0.00 C ATOM 188 OH TYR A 15 8.728 -0.778 9.706 1.00 0.00 O ATOM 0 H TYR A 15 9.896 -6.751 7.562 1.00 0.00 H new ATOM 0 HA TYR A 15 10.841 -5.106 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.566 -5.207 7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.710 -4.141 6.409 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.171 -2.211 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.901 -4.797 9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.747 -0.529 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.477 -3.114 10.707 1.00 0.00 H new ATOM 0 HH TYR A 15 8.483 -1.112 10.594 1.00 0.00 H new ATOM 198 N THR A 16 12.686 -6.895 4.945 1.00 0.00 N ATOM 199 CA THR A 16 13.454 -8.133 4.636 1.00 0.00 C ATOM 200 C THR A 16 14.293 -8.509 5.862 1.00 0.00 C ATOM 201 O THR A 16 14.052 -8.034 6.954 1.00 0.00 O ATOM 202 CB THR A 16 14.357 -7.895 3.419 1.00 0.00 C ATOM 203 OG1 THR A 16 15.178 -9.034 3.203 1.00 0.00 O ATOM 204 CG2 THR A 16 15.239 -6.668 3.651 1.00 0.00 C ATOM 0 H THR A 16 12.859 -6.106 4.322 1.00 0.00 H new ATOM 0 HA THR A 16 12.771 -8.949 4.400 1.00 0.00 H new ATOM 0 HB THR A 16 13.731 -7.724 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.621 -9.840 3.185 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.876 -6.508 2.781 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.610 -5.792 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.861 -6.828 4.532 1.00 0.00 H new ATOM 212 N ALA A 17 15.272 -9.360 5.699 1.00 0.00 N ATOM 213 CA ALA A 17 16.119 -9.766 6.863 1.00 0.00 C ATOM 214 C ALA A 17 17.563 -9.940 6.393 1.00 0.00 C ATOM 215 O ALA A 17 18.402 -10.458 7.103 1.00 0.00 O ATOM 216 CB ALA A 17 15.595 -11.088 7.431 1.00 0.00 C ATOM 0 H ALA A 17 15.523 -9.793 4.810 1.00 0.00 H new ATOM 0 HA ALA A 17 16.080 -9.001 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.209 -11.388 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.563 -10.960 7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.639 -11.858 6.661 1.00 0.00 H new ATOM 222 N ARG A 18 17.859 -9.500 5.197 1.00 0.00 N ATOM 223 CA ARG A 18 19.246 -9.622 4.661 1.00 0.00 C ATOM 224 C ARG A 18 19.598 -8.339 3.906 1.00 0.00 C ATOM 225 O ARG A 18 18.876 -7.909 3.028 1.00 0.00 O ATOM 226 CB ARG A 18 19.329 -10.808 3.688 1.00 0.00 C ATOM 227 CG ARG A 18 19.241 -12.149 4.451 1.00 0.00 C ATOM 228 CD ARG A 18 17.767 -12.557 4.684 1.00 0.00 C ATOM 229 NE ARG A 18 17.591 -13.049 6.089 1.00 0.00 N ATOM 230 CZ ARG A 18 18.418 -13.914 6.617 1.00 0.00 C ATOM 231 NH1 ARG A 18 19.356 -14.460 5.893 1.00 0.00 N ATOM 232 NH2 ARG A 18 18.283 -14.259 7.868 1.00 0.00 N ATOM 0 H ARG A 18 17.192 -9.058 4.564 1.00 0.00 H new ATOM 0 HA ARG A 18 19.940 -9.782 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.520 -10.745 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.264 -10.762 3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.753 -12.928 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.754 -12.061 5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.112 -11.705 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.480 -13.336 3.978 1.00 0.00 H new ATOM 0 HE ARG A 18 16.810 -12.702 6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.448 -14.213 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.997 -15.134 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 18 17.535 -13.855 8.431 1.00 0.00 H new ATOM 0 HH22 ARG A 18 18.926 -14.933 8.283 1.00 0.00 H new ATOM 246 N LYS A 19 20.701 -7.725 4.234 1.00 0.00 N ATOM 247 CA LYS A 19 21.088 -6.476 3.524 1.00 0.00 C ATOM 248 C LYS A 19 21.328 -6.802 2.047 1.00 0.00 C ATOM 249 O LYS A 19 22.049 -7.721 1.711 1.00 0.00 O ATOM 250 CB LYS A 19 22.364 -5.898 4.162 1.00 0.00 C ATOM 251 CG LYS A 19 23.066 -4.942 3.185 1.00 0.00 C ATOM 252 CD LYS A 19 24.086 -4.084 3.935 1.00 0.00 C ATOM 253 CE LYS A 19 25.207 -4.963 4.495 1.00 0.00 C ATOM 254 NZ LYS A 19 25.693 -5.897 3.440 1.00 0.00 N ATOM 0 H LYS A 19 21.348 -8.033 4.960 1.00 0.00 H new ATOM 0 HA LYS A 19 20.293 -5.735 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.111 -5.368 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.040 -6.708 4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.564 -5.512 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.330 -4.303 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 19 24.504 -3.333 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 19 23.594 -3.548 4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.028 -4.339 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 24.844 -5.528 5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.649 -6.228 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 25.050 -6.712 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.720 -5.403 2.525 1.00 0.00 H new ATOM 268 N LEU A 20 20.727 -6.054 1.167 1.00 0.00 N ATOM 269 CA LEU A 20 20.914 -6.312 -0.285 1.00 0.00 C ATOM 270 C LEU A 20 22.321 -5.834 -0.713 1.00 0.00 C ATOM 271 O LEU A 20 22.623 -4.671 -0.535 1.00 0.00 O ATOM 272 CB LEU A 20 19.873 -5.509 -1.066 1.00 0.00 C ATOM 273 CG LEU A 20 18.490 -5.681 -0.435 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.448 -5.018 -1.334 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.163 -7.172 -0.290 1.00 0.00 C ATOM 0 H LEU A 20 20.112 -5.272 1.392 1.00 0.00 H new ATOM 0 HA LEU A 20 20.805 -7.378 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.148 -4.454 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.851 -5.841 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 20 18.481 -5.217 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.459 -5.136 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.677 -3.957 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.464 -5.488 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.177 -7.286 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.170 -7.643 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.909 -7.648 0.346 1.00 0.00 H new ATOM 287 N PRO A 21 23.151 -6.699 -1.278 1.00 0.00 N ATOM 288 CA PRO A 21 24.492 -6.269 -1.716 1.00 0.00 C ATOM 289 C PRO A 21 24.364 -5.080 -2.672 1.00 0.00 C ATOM 290 O PRO A 21 23.434 -4.999 -3.446 1.00 0.00 O ATOM 291 CB PRO A 21 25.089 -7.496 -2.442 1.00 0.00 C ATOM 292 CG PRO A 21 24.129 -8.693 -2.190 1.00 0.00 C ATOM 293 CD PRO A 21 22.854 -8.131 -1.524 1.00 0.00 C ATOM 0 HA PRO A 21 25.123 -5.948 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.188 -7.301 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.087 -7.718 -2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.884 -9.192 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.602 -9.436 -1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.985 -8.249 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.631 -8.654 -0.594 1.00 0.00 H new ATOM 301 N ARG A 22 25.295 -4.168 -2.639 1.00 0.00 N ATOM 302 CA ARG A 22 25.220 -3.009 -3.569 1.00 0.00 C ATOM 303 C ARG A 22 24.995 -3.537 -4.987 1.00 0.00 C ATOM 304 O ARG A 22 24.330 -2.922 -5.797 1.00 0.00 O ATOM 305 CB ARG A 22 26.525 -2.219 -3.518 1.00 0.00 C ATOM 306 CG ARG A 22 26.420 -1.013 -4.461 1.00 0.00 C ATOM 307 CD ARG A 22 27.645 -0.092 -4.302 1.00 0.00 C ATOM 308 NE ARG A 22 27.211 1.340 -4.373 1.00 0.00 N ATOM 309 CZ ARG A 22 26.411 1.759 -5.319 1.00 0.00 C ATOM 310 NH1 ARG A 22 26.099 0.981 -6.319 1.00 0.00 N ATOM 311 NH2 ARG A 22 25.960 2.983 -5.288 1.00 0.00 N ATOM 0 H ARG A 22 26.100 -4.175 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 22 24.400 -2.353 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.722 -1.884 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.361 -2.854 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.348 -1.357 -5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.508 -0.455 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 22 28.137 -0.286 -3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.374 -0.301 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 22 27.545 2.000 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 22 26.480 0.036 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 22 25.474 1.318 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 22 26.232 3.608 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 22 25.336 3.315 -6.023 1.00 0.00 H new ATOM 325 N ASN A 23 25.546 -4.684 -5.286 1.00 0.00 N ATOM 326 CA ASN A 23 25.371 -5.272 -6.643 1.00 0.00 C ATOM 327 C ASN A 23 23.938 -5.790 -6.797 1.00 0.00 C ATOM 328 O ASN A 23 23.640 -6.550 -7.698 1.00 0.00 O ATOM 329 CB ASN A 23 26.354 -6.430 -6.827 1.00 0.00 C ATOM 330 CG ASN A 23 26.395 -6.837 -8.301 1.00 0.00 C ATOM 331 OD1 ASN A 23 26.437 -5.994 -9.175 1.00 0.00 O ATOM 332 ND2 ASN A 23 26.382 -8.103 -8.617 1.00 0.00 N ATOM 0 H ASN A 23 26.112 -5.240 -4.645 1.00 0.00 H new ATOM 0 HA ASN A 23 25.563 -4.508 -7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 23 27.348 -6.133 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.052 -7.278 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.407 -8.384 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 23 26.347 -8.811 -7.884 1.00 0.00 H new ATOM 339 N PHE A 24 23.051 -5.395 -5.920 1.00 0.00 N ATOM 340 CA PHE A 24 21.633 -5.873 -6.006 1.00 0.00 C ATOM 341 C PHE A 24 20.692 -4.712 -5.671 1.00 0.00 C ATOM 342 O PHE A 24 19.602 -4.906 -5.170 1.00 0.00 O ATOM 343 CB PHE A 24 21.437 -7.025 -5.002 1.00 0.00 C ATOM 344 CG PHE A 24 20.248 -7.888 -5.390 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.226 -8.547 -6.639 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.168 -8.048 -4.496 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.128 -9.357 -6.989 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.072 -8.857 -4.851 1.00 0.00 C ATOM 349 CZ PHE A 24 18.052 -9.511 -6.096 1.00 0.00 C ATOM 0 H PHE A 24 23.246 -4.761 -5.145 1.00 0.00 H new ATOM 0 HA PHE A 24 21.411 -6.230 -7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.338 -7.637 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.285 -6.619 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.051 -8.430 -7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.182 -7.549 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.112 -9.861 -7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.245 -8.976 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.210 -10.132 -6.366 1.00 0.00 H new ATOM 359 N VAL A 25 21.108 -3.504 -5.954 1.00 0.00 N ATOM 360 CA VAL A 25 20.251 -2.314 -5.666 1.00 0.00 C ATOM 361 C VAL A 25 20.560 -1.218 -6.688 1.00 0.00 C ATOM 362 O VAL A 25 21.415 -0.381 -6.474 1.00 0.00 O ATOM 363 CB VAL A 25 20.554 -1.787 -4.262 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.595 -0.644 -3.925 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.374 -2.907 -3.236 1.00 0.00 C ATOM 0 H VAL A 25 22.012 -3.289 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 25 19.201 -2.599 -5.728 1.00 0.00 H new ATOM 0 HB VAL A 25 21.583 -1.428 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.812 -0.270 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.720 0.161 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.568 -1.008 -3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.591 -2.525 -2.239 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.347 -3.270 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.056 -3.726 -3.468 1.00 0.00 H new ATOM 375 N VAL A 26 19.876 -1.216 -7.802 1.00 0.00 N ATOM 376 CA VAL A 26 20.135 -0.180 -8.839 1.00 0.00 C ATOM 377 C VAL A 26 19.336 1.079 -8.518 1.00 0.00 C ATOM 378 O VAL A 26 19.538 2.120 -9.110 1.00 0.00 O ATOM 379 CB VAL A 26 19.704 -0.718 -10.202 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.423 -2.037 -10.475 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.191 -0.952 -10.203 1.00 0.00 C ATOM 0 H VAL A 26 19.147 -1.890 -8.037 1.00 0.00 H new ATOM 0 HA VAL A 26 21.198 0.062 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 26 19.960 0.004 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.117 -2.424 -11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.500 -1.871 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.165 -2.759 -9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.883 -1.336 -11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.934 -1.676 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.677 -0.011 -10.005 1.00 0.00 H new ATOM 391 N ASP A 27 18.425 0.997 -7.591 1.00 0.00 N ATOM 392 CA ASP A 27 17.619 2.199 -7.250 1.00 0.00 C ATOM 393 C ASP A 27 16.809 1.926 -5.990 1.00 0.00 C ATOM 394 O ASP A 27 16.969 0.909 -5.344 1.00 0.00 O ATOM 395 CB ASP A 27 16.668 2.516 -8.408 1.00 0.00 C ATOM 396 CG ASP A 27 16.094 3.923 -8.226 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.868 4.828 -7.964 1.00 0.00 O ATOM 398 OD2 ASP A 27 14.889 4.070 -8.354 1.00 0.00 O ATOM 0 H ASP A 27 18.205 0.156 -7.058 1.00 0.00 H new ATOM 0 HA ASP A 27 18.282 3.047 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.199 2.448 -9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.861 1.784 -8.441 1.00 0.00 H new ATOM 403 N TYR A 28 15.936 2.824 -5.632 1.00 0.00 N ATOM 404 CA TYR A 28 15.113 2.611 -4.412 1.00 0.00 C ATOM 405 C TYR A 28 13.827 3.423 -4.507 1.00 0.00 C ATOM 406 O TYR A 28 13.538 4.051 -5.507 1.00 0.00 O ATOM 407 CB TYR A 28 15.904 3.022 -3.164 1.00 0.00 C ATOM 408 CG TYR A 28 16.012 4.532 -3.068 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.701 5.259 -4.059 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.429 5.211 -1.978 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.807 6.658 -3.960 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.535 6.609 -1.878 1.00 0.00 C ATOM 413 CZ TYR A 28 16.224 7.335 -2.870 1.00 0.00 C ATOM 414 OH TYR A 28 16.329 8.708 -2.773 1.00 0.00 O ATOM 0 H TYR A 28 15.757 3.695 -6.131 1.00 0.00 H new ATOM 0 HA TYR A 28 14.861 1.553 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.414 2.630 -2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.901 2.583 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.148 4.742 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.900 4.655 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.336 7.214 -4.720 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.089 7.126 -1.042 1.00 0.00 H new ATOM 0 HH TYR A 28 15.871 9.015 -1.963 1.00 0.00 H new ATOM 424 N TYR A 29 13.047 3.392 -3.473 1.00 0.00 N ATOM 425 CA TYR A 29 11.763 4.133 -3.475 1.00 0.00 C ATOM 426 C TYR A 29 11.298 4.292 -2.023 1.00 0.00 C ATOM 427 O TYR A 29 11.432 3.390 -1.226 1.00 0.00 O ATOM 428 CB TYR A 29 10.749 3.324 -4.299 1.00 0.00 C ATOM 429 CG TYR A 29 9.336 3.750 -3.981 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.854 4.984 -4.452 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.504 2.911 -3.216 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.536 5.383 -4.156 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.186 3.309 -2.919 1.00 0.00 C ATOM 434 CZ TYR A 29 6.702 4.545 -3.388 1.00 0.00 C ATOM 435 OH TYR A 29 5.411 4.936 -3.098 1.00 0.00 O ATOM 0 H TYR A 29 13.246 2.878 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 29 11.867 5.124 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.945 3.463 -5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.869 2.261 -4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.494 5.625 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.876 1.963 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.164 6.331 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.547 2.666 -2.332 1.00 0.00 H new ATOM 0 HH TYR A 29 4.972 4.243 -2.561 1.00 0.00 H new ATOM 445 N GLU A 30 10.761 5.428 -1.663 1.00 0.00 N ATOM 446 CA GLU A 30 10.297 5.623 -0.253 1.00 0.00 C ATOM 447 C GLU A 30 8.791 5.355 -0.172 1.00 0.00 C ATOM 448 O GLU A 30 8.076 5.471 -1.147 1.00 0.00 O ATOM 449 CB GLU A 30 10.588 7.062 0.184 1.00 0.00 C ATOM 450 CG GLU A 30 12.076 7.210 0.510 1.00 0.00 C ATOM 451 CD GLU A 30 12.374 8.662 0.888 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.433 9.385 1.169 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.539 9.026 0.890 1.00 0.00 O ATOM 0 H GLU A 30 10.623 6.228 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 30 10.824 4.932 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.308 7.757 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.987 7.316 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.347 6.546 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.678 6.916 -0.349 1.00 0.00 H new ATOM 460 N THR A 31 8.309 4.989 0.984 1.00 0.00 N ATOM 461 CA THR A 31 6.850 4.700 1.136 1.00 0.00 C ATOM 462 C THR A 31 6.049 6.002 1.109 1.00 0.00 C ATOM 463 O THR A 31 6.544 7.048 0.739 1.00 0.00 O ATOM 464 CB THR A 31 6.617 3.998 2.474 1.00 0.00 C ATOM 465 OG1 THR A 31 7.334 4.684 3.481 1.00 0.00 O ATOM 466 CG2 THR A 31 7.102 2.549 2.381 1.00 0.00 C ATOM 0 H THR A 31 8.862 4.877 1.834 1.00 0.00 H new ATOM 0 HA THR A 31 6.524 4.063 0.314 1.00 0.00 H new ATOM 0 HB THR A 31 5.555 4.000 2.717 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.214 5.650 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.936 2.048 3.335 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.550 2.030 1.598 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.166 2.536 2.144 1.00 0.00 H new ATOM 474 N SER A 32 4.807 5.935 1.505 1.00 0.00 N ATOM 475 CA SER A 32 3.948 7.151 1.515 1.00 0.00 C ATOM 476 C SER A 32 4.169 7.925 2.814 1.00 0.00 C ATOM 477 O SER A 32 5.255 7.959 3.356 1.00 0.00 O ATOM 478 CB SER A 32 2.483 6.729 1.426 1.00 0.00 C ATOM 479 OG SER A 32 2.306 5.885 0.295 1.00 0.00 O ATOM 0 H SER A 32 4.348 5.082 1.825 1.00 0.00 H new ATOM 0 HA SER A 32 4.205 7.785 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.187 6.205 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.844 7.608 1.342 1.00 0.00 H new ATOM 0 HG SER A 32 1.548 6.205 -0.237 1.00 0.00 H new ATOM 485 N SER A 33 3.137 8.548 3.312 1.00 0.00 N ATOM 486 CA SER A 33 3.255 9.332 4.580 1.00 0.00 C ATOM 487 C SER A 33 1.987 9.129 5.403 1.00 0.00 C ATOM 488 O SER A 33 2.021 9.066 6.615 1.00 0.00 O ATOM 489 CB SER A 33 3.392 10.812 4.237 1.00 0.00 C ATOM 490 OG SER A 33 2.103 11.351 3.972 1.00 0.00 O ATOM 0 H SER A 33 2.207 8.549 2.893 1.00 0.00 H new ATOM 0 HA SER A 33 4.126 9.000 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.861 11.347 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.038 10.938 3.368 1.00 0.00 H new ATOM 0 HG SER A 33 2.185 12.303 3.753 1.00 0.00 H new ATOM 496 N LEU A 34 0.868 9.035 4.736 1.00 0.00 N ATOM 497 CA LEU A 34 -0.436 8.840 5.438 1.00 0.00 C ATOM 498 C LEU A 34 -0.272 7.862 6.601 1.00 0.00 C ATOM 499 O LEU A 34 -0.578 8.169 7.736 1.00 0.00 O ATOM 500 CB LEU A 34 -1.463 8.269 4.456 1.00 0.00 C ATOM 501 CG LEU A 34 -1.371 8.995 3.113 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.517 8.532 2.212 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.472 10.507 3.338 1.00 0.00 C ATOM 0 H LEU A 34 0.800 9.086 3.720 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.774 9.803 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.287 7.203 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.467 8.375 4.867 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.417 8.767 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.456 9.046 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.442 7.456 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.470 8.763 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.406 11.023 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.425 10.741 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.656 10.834 3.983 1.00 0.00 H new ATOM 515 N CYS A 35 0.208 6.684 6.323 1.00 0.00 N ATOM 516 CA CYS A 35 0.390 5.684 7.409 1.00 0.00 C ATOM 517 C CYS A 35 1.529 6.139 8.328 1.00 0.00 C ATOM 518 O CYS A 35 2.596 6.496 7.882 1.00 0.00 O ATOM 519 CB CYS A 35 0.716 4.315 6.798 1.00 0.00 C ATOM 520 SG CYS A 35 1.835 4.520 5.390 1.00 0.00 S ATOM 0 H CYS A 35 0.482 6.370 5.392 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.528 5.599 7.991 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.176 3.672 7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.202 3.823 6.476 1.00 0.00 H new ATOM 525 N SER A 36 1.292 6.154 9.610 1.00 0.00 N ATOM 526 CA SER A 36 2.344 6.600 10.569 1.00 0.00 C ATOM 527 C SER A 36 3.530 5.622 10.588 1.00 0.00 C ATOM 528 O SER A 36 4.160 5.443 11.612 1.00 0.00 O ATOM 529 CB SER A 36 1.741 6.686 11.971 1.00 0.00 C ATOM 530 OG SER A 36 0.810 7.758 12.016 1.00 0.00 O ATOM 0 H SER A 36 0.409 5.875 10.038 1.00 0.00 H new ATOM 0 HA SER A 36 2.709 7.577 10.250 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.246 5.748 12.225 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.528 6.841 12.709 1.00 0.00 H new ATOM 0 HG SER A 36 0.420 7.815 12.913 1.00 0.00 H new ATOM 536 N GLN A 37 3.852 4.980 9.492 1.00 0.00 N ATOM 537 CA GLN A 37 5.004 4.024 9.518 1.00 0.00 C ATOM 538 C GLN A 37 5.626 3.869 8.120 1.00 0.00 C ATOM 539 O GLN A 37 5.575 2.799 7.551 1.00 0.00 O ATOM 540 CB GLN A 37 4.514 2.656 10.005 1.00 0.00 C ATOM 541 CG GLN A 37 3.215 2.283 9.285 1.00 0.00 C ATOM 542 CD GLN A 37 2.747 0.906 9.759 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.429 -0.080 9.567 1.00 0.00 O ATOM 544 NE2 GLN A 37 1.602 0.798 10.377 1.00 0.00 N ATOM 0 H GLN A 37 3.377 5.073 8.594 1.00 0.00 H new ATOM 0 HA GLN A 37 5.764 4.418 10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.275 1.899 9.817 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.349 2.681 11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.447 3.030 9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.374 2.274 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.029 1.627 10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.280 -0.115 10.699 1.00 0.00 H new ATOM 553 N PRO A 38 6.219 4.928 7.610 1.00 0.00 N ATOM 554 CA PRO A 38 6.873 4.884 6.288 1.00 0.00 C ATOM 555 C PRO A 38 8.108 3.972 6.369 1.00 0.00 C ATOM 556 O PRO A 38 8.407 3.402 7.399 1.00 0.00 O ATOM 557 CB PRO A 38 7.276 6.349 5.996 1.00 0.00 C ATOM 558 CG PRO A 38 6.978 7.179 7.279 1.00 0.00 C ATOM 559 CD PRO A 38 6.282 6.241 8.292 1.00 0.00 C ATOM 0 HA PRO A 38 6.231 4.487 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.333 6.412 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.715 6.740 5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.901 7.579 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.339 8.031 7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.845 6.177 9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.286 6.603 8.546 1.00 0.00 H new ATOM 567 N ALA A 39 8.821 3.842 5.290 1.00 0.00 N ATOM 568 CA ALA A 39 10.033 2.987 5.278 1.00 0.00 C ATOM 569 C ALA A 39 10.745 3.196 3.946 1.00 0.00 C ATOM 570 O ALA A 39 10.193 3.778 3.033 1.00 0.00 O ATOM 571 CB ALA A 39 9.630 1.517 5.415 1.00 0.00 C ATOM 0 H ALA A 39 8.611 4.299 4.403 1.00 0.00 H new ATOM 0 HA ALA A 39 10.689 3.251 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.523 0.892 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.096 1.372 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.984 1.238 4.583 1.00 0.00 H new ATOM 577 N VAL A 40 11.948 2.708 3.806 1.00 0.00 N ATOM 578 CA VAL A 40 12.666 2.863 2.505 1.00 0.00 C ATOM 579 C VAL A 40 12.494 1.562 1.726 1.00 0.00 C ATOM 580 O VAL A 40 12.455 0.489 2.294 1.00 0.00 O ATOM 581 CB VAL A 40 14.155 3.138 2.753 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.949 2.905 1.463 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.330 4.594 3.187 1.00 0.00 C ATOM 0 H VAL A 40 12.464 2.211 4.532 1.00 0.00 H new ATOM 0 HA VAL A 40 12.259 3.702 1.941 1.00 0.00 H new ATOM 0 HB VAL A 40 14.520 2.467 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.005 3.102 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.823 1.872 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.584 3.576 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.386 4.796 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.961 5.254 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.767 4.771 4.104 1.00 0.00 H new ATOM 593 N VAL A 41 12.371 1.659 0.432 1.00 0.00 N ATOM 594 CA VAL A 41 12.175 0.443 -0.418 1.00 0.00 C ATOM 595 C VAL A 41 13.314 0.338 -1.436 1.00 0.00 C ATOM 596 O VAL A 41 13.508 1.212 -2.252 1.00 0.00 O ATOM 597 CB VAL A 41 10.833 0.568 -1.138 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.392 -0.792 -1.665 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.781 1.087 -0.154 1.00 0.00 C ATOM 0 H VAL A 41 12.398 2.539 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 41 12.179 -0.455 0.200 1.00 0.00 H new ATOM 0 HB VAL A 41 10.940 1.259 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.435 -0.691 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.138 -1.171 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.287 -1.488 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.821 1.178 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.686 0.390 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.086 2.063 0.223 1.00 0.00 H new ATOM 609 N PHE A 42 14.078 -0.722 -1.393 1.00 0.00 N ATOM 610 CA PHE A 42 15.212 -0.865 -2.357 1.00 0.00 C ATOM 611 C PHE A 42 14.756 -1.619 -3.610 1.00 0.00 C ATOM 612 O PHE A 42 14.096 -2.636 -3.535 1.00 0.00 O ATOM 613 CB PHE A 42 16.354 -1.645 -1.696 1.00 0.00 C ATOM 614 CG PHE A 42 17.080 -0.762 -0.704 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.776 0.379 -1.153 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.071 -1.083 0.669 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.457 1.197 -0.231 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.754 -0.266 1.589 1.00 0.00 C ATOM 619 CZ PHE A 42 18.448 0.875 1.139 1.00 0.00 C ATOM 0 H PHE A 42 13.967 -1.493 -0.735 1.00 0.00 H new ATOM 0 HA PHE A 42 15.554 0.130 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.958 -2.525 -1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.050 -2.000 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.787 0.626 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.539 -1.957 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.987 2.073 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.746 -0.513 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.973 1.502 1.845 1.00 0.00 H new ATOM 629 N GLN A 43 15.137 -1.132 -4.763 1.00 0.00 N ATOM 630 CA GLN A 43 14.772 -1.812 -6.043 1.00 0.00 C ATOM 631 C GLN A 43 15.985 -2.642 -6.482 1.00 0.00 C ATOM 632 O GLN A 43 17.075 -2.114 -6.621 1.00 0.00 O ATOM 633 CB GLN A 43 14.447 -0.744 -7.090 1.00 0.00 C ATOM 634 CG GLN A 43 13.223 0.056 -6.641 1.00 0.00 C ATOM 635 CD GLN A 43 13.111 1.331 -7.480 1.00 0.00 C ATOM 636 OE1 GLN A 43 13.686 2.347 -7.144 1.00 0.00 O ATOM 637 NE2 GLN A 43 12.388 1.320 -8.568 1.00 0.00 N ATOM 0 H GLN A 43 15.691 -0.283 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 43 13.903 -2.458 -5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.300 -0.079 -7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.254 -1.213 -8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.321 -0.546 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.309 0.310 -5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.905 0.467 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.307 2.164 -9.135 1.00 0.00 H new ATOM 646 N THR A 44 15.833 -3.944 -6.653 1.00 0.00 N ATOM 647 CA THR A 44 17.027 -4.789 -7.021 1.00 0.00 C ATOM 648 C THR A 44 17.086 -5.104 -8.517 1.00 0.00 C ATOM 649 O THR A 44 16.485 -4.443 -9.340 1.00 0.00 O ATOM 650 CB THR A 44 16.964 -6.111 -6.259 1.00 0.00 C ATOM 651 OG1 THR A 44 16.091 -6.997 -6.937 1.00 0.00 O ATOM 652 CG2 THR A 44 16.446 -5.861 -4.841 1.00 0.00 C ATOM 0 H THR A 44 14.952 -4.449 -6.556 1.00 0.00 H new ATOM 0 HA THR A 44 17.916 -4.216 -6.758 1.00 0.00 H new ATOM 0 HB THR A 44 17.960 -6.551 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.407 -7.918 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.401 -6.805 -4.298 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.118 -5.176 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.449 -5.423 -4.890 1.00 0.00 H new ATOM 660 N LYS A 45 17.843 -6.124 -8.856 1.00 0.00 N ATOM 661 CA LYS A 45 18.010 -6.538 -10.283 1.00 0.00 C ATOM 662 C LYS A 45 17.237 -7.830 -10.554 1.00 0.00 C ATOM 663 O LYS A 45 16.899 -8.128 -11.683 1.00 0.00 O ATOM 664 CB LYS A 45 19.487 -6.811 -10.552 1.00 0.00 C ATOM 665 CG LYS A 45 20.310 -5.589 -10.178 1.00 0.00 C ATOM 666 CD LYS A 45 21.778 -5.838 -10.536 1.00 0.00 C ATOM 667 CE LYS A 45 22.509 -4.506 -10.628 1.00 0.00 C ATOM 668 NZ LYS A 45 22.103 -3.799 -11.875 1.00 0.00 N ATOM 0 H LYS A 45 18.361 -6.696 -8.188 1.00 0.00 H new ATOM 0 HA LYS A 45 17.635 -5.741 -10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.818 -7.675 -9.975 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.636 -7.054 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.939 -4.711 -10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.214 -5.384 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.246 -6.471 -9.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.847 -6.370 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.278 -3.892 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.587 -4.670 -10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.393 -2.802 -11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 22.562 -4.248 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 21.070 -3.853 -11.984 1.00 0.00 H new ATOM 682 N ARG A 46 16.976 -8.615 -9.532 1.00 0.00 N ATOM 683 CA ARG A 46 16.248 -9.910 -9.736 1.00 0.00 C ATOM 684 C ARG A 46 15.110 -9.995 -8.716 1.00 0.00 C ATOM 685 O ARG A 46 14.983 -10.944 -7.972 1.00 0.00 O ATOM 686 CB ARG A 46 17.236 -11.078 -9.538 1.00 0.00 C ATOM 687 CG ARG A 46 16.757 -12.346 -10.274 1.00 0.00 C ATOM 688 CD ARG A 46 15.579 -12.997 -9.542 1.00 0.00 C ATOM 689 NE ARG A 46 15.380 -14.376 -10.066 1.00 0.00 N ATOM 690 CZ ARG A 46 14.643 -15.226 -9.402 1.00 0.00 C ATOM 691 NH1 ARG A 46 14.087 -14.867 -8.278 1.00 0.00 N ATOM 692 NH2 ARG A 46 14.465 -16.434 -9.862 1.00 0.00 N ATOM 0 H ARG A 46 17.236 -8.414 -8.566 1.00 0.00 H new ATOM 0 HA ARG A 46 15.834 -9.965 -10.743 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.221 -10.791 -9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.343 -11.291 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.460 -12.090 -11.291 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.579 -13.058 -10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.773 -13.027 -8.470 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.674 -12.406 -9.686 1.00 0.00 H new ATOM 0 HE ARG A 46 15.819 -14.657 -10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.228 -13.923 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.511 -15.530 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.901 -16.715 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.890 -17.098 -9.343 1.00 0.00 H new ATOM 706 N SER A 47 14.278 -8.999 -8.684 1.00 0.00 N ATOM 707 CA SER A 47 13.138 -9.000 -7.745 1.00 0.00 C ATOM 708 C SER A 47 12.220 -7.849 -8.132 1.00 0.00 C ATOM 709 O SER A 47 11.760 -7.761 -9.252 1.00 0.00 O ATOM 710 CB SER A 47 13.627 -8.841 -6.298 1.00 0.00 C ATOM 711 OG SER A 47 14.025 -7.497 -6.070 1.00 0.00 O ATOM 0 H SER A 47 14.343 -8.173 -9.279 1.00 0.00 H new ATOM 0 HA SER A 47 12.602 -9.947 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.834 -9.118 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.463 -9.514 -6.111 1.00 0.00 H new ATOM 0 HG SER A 47 14.918 -7.352 -6.447 1.00 0.00 H new ATOM 717 N LYS A 48 11.978 -6.959 -7.231 1.00 0.00 N ATOM 718 CA LYS A 48 11.111 -5.796 -7.536 1.00 0.00 C ATOM 719 C LYS A 48 11.409 -4.711 -6.515 1.00 0.00 C ATOM 720 O LYS A 48 12.306 -3.907 -6.681 1.00 0.00 O ATOM 721 CB LYS A 48 9.633 -6.192 -7.429 1.00 0.00 C ATOM 722 CG LYS A 48 9.244 -7.118 -8.587 1.00 0.00 C ATOM 723 CD LYS A 48 7.719 -7.171 -8.710 1.00 0.00 C ATOM 724 CE LYS A 48 7.331 -8.033 -9.913 1.00 0.00 C ATOM 725 NZ LYS A 48 5.905 -7.782 -10.264 1.00 0.00 N ATOM 0 H LYS A 48 12.347 -6.983 -6.280 1.00 0.00 H new ATOM 0 HA LYS A 48 11.306 -5.445 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.452 -6.692 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.008 -5.299 -7.443 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.682 -6.757 -9.518 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.640 -8.119 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.285 -7.583 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.318 -6.164 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.972 -7.800 -10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.479 -9.088 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.640 -8.368 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.300 -8.025 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.778 -6.778 -10.502 1.00 0.00 H new ATOM 739 N GLN A 49 10.657 -4.709 -5.449 1.00 0.00 N ATOM 740 CA GLN A 49 10.843 -3.704 -4.365 1.00 0.00 C ATOM 741 C GLN A 49 11.005 -4.449 -3.030 1.00 0.00 C ATOM 742 O GLN A 49 10.381 -5.468 -2.796 1.00 0.00 O ATOM 743 CB GLN A 49 9.586 -2.802 -4.331 1.00 0.00 C ATOM 744 CG GLN A 49 9.888 -1.429 -4.950 1.00 0.00 C ATOM 745 CD GLN A 49 8.668 -0.519 -4.794 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.756 0.675 -5.006 1.00 0.00 O ATOM 747 NE2 GLN A 49 7.525 -1.034 -4.432 1.00 0.00 N ATOM 0 H GLN A 49 9.905 -5.377 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 49 11.728 -3.091 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.773 -3.282 -4.876 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.250 -2.677 -3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.754 -0.981 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.139 -1.541 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.450 -2.036 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.706 -0.435 -4.327 1.00 0.00 H new ATOM 756 N VAL A 50 11.837 -3.946 -2.152 1.00 0.00 N ATOM 757 CA VAL A 50 12.046 -4.610 -0.826 1.00 0.00 C ATOM 758 C VAL A 50 12.052 -3.547 0.265 1.00 0.00 C ATOM 759 O VAL A 50 12.831 -2.619 0.229 1.00 0.00 O ATOM 760 CB VAL A 50 13.386 -5.350 -0.823 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.459 -6.264 0.403 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.510 -6.187 -2.102 1.00 0.00 C ATOM 0 H VAL A 50 12.385 -3.098 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 50 11.243 -5.324 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 50 14.203 -4.629 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.413 -6.792 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.372 -5.665 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.644 -6.987 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.464 -6.714 -2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.696 -6.910 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.459 -5.532 -2.972 1.00 0.00 H new ATOM 772 N CYS A 51 11.192 -3.674 1.237 1.00 0.00 N ATOM 773 CA CYS A 51 11.141 -2.660 2.325 1.00 0.00 C ATOM 774 C CYS A 51 12.362 -2.819 3.229 1.00 0.00 C ATOM 775 O CYS A 51 12.920 -3.891 3.355 1.00 0.00 O ATOM 776 CB CYS A 51 9.869 -2.868 3.148 1.00 0.00 C ATOM 777 SG CYS A 51 8.416 -2.660 2.086 1.00 0.00 S ATOM 0 H CYS A 51 10.522 -4.438 1.324 1.00 0.00 H new ATOM 0 HA CYS A 51 11.139 -1.660 1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.869 -3.864 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.836 -2.154 3.971 1.00 0.00 H new ATOM 782 N ALA A 52 12.787 -1.752 3.854 1.00 0.00 N ATOM 783 CA ALA A 52 13.982 -1.826 4.748 1.00 0.00 C ATOM 784 C ALA A 52 13.779 -0.905 5.954 1.00 0.00 C ATOM 785 O ALA A 52 13.315 0.212 5.824 1.00 0.00 O ATOM 786 CB ALA A 52 15.222 -1.376 3.973 1.00 0.00 C ATOM 0 H ALA A 52 12.357 -0.830 3.784 1.00 0.00 H new ATOM 0 HA ALA A 52 14.114 -2.852 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.096 -1.429 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.370 -2.028 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.085 -0.350 3.632 1.00 0.00 H new ATOM 792 N ASP A 53 14.126 -1.369 7.125 1.00 0.00 N ATOM 793 CA ASP A 53 13.957 -0.531 8.347 1.00 0.00 C ATOM 794 C ASP A 53 14.954 0.653 8.305 1.00 0.00 C ATOM 795 O ASP A 53 16.146 0.416 8.320 1.00 0.00 O ATOM 796 CB ASP A 53 14.269 -1.387 9.578 1.00 0.00 C ATOM 797 CG ASP A 53 13.134 -2.385 9.813 1.00 0.00 C ATOM 798 OD1 ASP A 53 12.184 -2.022 10.485 1.00 0.00 O ATOM 799 OD2 ASP A 53 13.237 -3.495 9.317 1.00 0.00 O ATOM 0 H ASP A 53 14.520 -2.295 7.288 1.00 0.00 H new ATOM 0 HA ASP A 53 12.936 -0.152 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.210 -1.919 9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.393 -0.750 10.454 1.00 0.00 H new ATOM 804 N PRO A 54 14.482 1.894 8.260 1.00 0.00 N ATOM 805 CA PRO A 54 15.407 3.047 8.225 1.00 0.00 C ATOM 806 C PRO A 54 16.245 3.085 9.513 1.00 0.00 C ATOM 807 O PRO A 54 17.169 3.862 9.643 1.00 0.00 O ATOM 808 CB PRO A 54 14.498 4.293 8.121 1.00 0.00 C ATOM 809 CG PRO A 54 13.022 3.802 8.149 1.00 0.00 C ATOM 810 CD PRO A 54 13.045 2.258 8.236 1.00 0.00 C ATOM 0 HA PRO A 54 16.108 2.994 7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.690 4.977 8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.702 4.840 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.493 4.226 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.493 4.127 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.534 1.906 9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.538 1.807 7.383 1.00 0.00 H new ATOM 818 N SER A 55 15.914 2.261 10.466 1.00 0.00 N ATOM 819 CA SER A 55 16.676 2.260 11.747 1.00 0.00 C ATOM 820 C SER A 55 18.019 1.554 11.552 1.00 0.00 C ATOM 821 O SER A 55 18.938 1.728 12.328 1.00 0.00 O ATOM 822 CB SER A 55 15.868 1.527 12.818 1.00 0.00 C ATOM 823 OG SER A 55 16.584 1.550 14.046 1.00 0.00 O ATOM 0 H SER A 55 15.149 1.588 10.415 1.00 0.00 H new ATOM 0 HA SER A 55 16.853 3.289 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.894 2.001 12.943 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.685 0.498 12.510 1.00 0.00 H new ATOM 0 HG SER A 55 16.067 1.082 14.735 1.00 0.00 H new ATOM 829 N GLU A 56 18.149 0.763 10.521 1.00 0.00 N ATOM 830 CA GLU A 56 19.441 0.060 10.285 1.00 0.00 C ATOM 831 C GLU A 56 20.415 1.021 9.595 1.00 0.00 C ATOM 832 O GLU A 56 20.173 1.505 8.506 1.00 0.00 O ATOM 833 CB GLU A 56 19.206 -1.168 9.405 1.00 0.00 C ATOM 834 CG GLU A 56 18.643 -2.313 10.252 1.00 0.00 C ATOM 835 CD GLU A 56 19.750 -2.885 11.140 1.00 0.00 C ATOM 836 OE1 GLU A 56 20.787 -3.240 10.605 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.542 -2.958 12.340 1.00 0.00 O ATOM 0 H GLU A 56 17.419 0.574 9.835 1.00 0.00 H new ATOM 0 HA GLU A 56 19.864 -0.264 11.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.512 -0.923 8.601 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.141 -1.476 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.819 -1.953 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.241 -3.093 9.606 1.00 0.00 H new ATOM 844 N SER A 57 21.504 1.311 10.243 1.00 0.00 N ATOM 845 CA SER A 57 22.510 2.252 9.676 1.00 0.00 C ATOM 846 C SER A 57 22.874 1.884 8.234 1.00 0.00 C ATOM 847 O SER A 57 23.075 2.748 7.405 1.00 0.00 O ATOM 848 CB SER A 57 23.773 2.215 10.537 1.00 0.00 C ATOM 849 OG SER A 57 23.466 2.689 11.841 1.00 0.00 O ATOM 0 H SER A 57 21.746 0.930 11.158 1.00 0.00 H new ATOM 0 HA SER A 57 22.077 3.252 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.162 1.198 10.589 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.552 2.831 10.087 1.00 0.00 H new ATOM 0 HG SER A 57 24.273 2.665 12.396 1.00 0.00 H new ATOM 855 N TRP A 58 22.988 0.622 7.922 1.00 0.00 N ATOM 856 CA TRP A 58 23.370 0.252 6.531 1.00 0.00 C ATOM 857 C TRP A 58 22.313 0.762 5.555 1.00 0.00 C ATOM 858 O TRP A 58 22.608 1.094 4.426 1.00 0.00 O ATOM 859 CB TRP A 58 23.566 -1.268 6.411 1.00 0.00 C ATOM 860 CG TRP A 58 22.261 -1.995 6.273 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.670 -2.713 7.256 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.404 -2.126 5.099 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.503 -3.271 6.764 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.289 -2.936 5.445 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.477 -1.623 3.779 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.282 -3.237 4.516 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.466 -1.923 2.841 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.370 -2.728 3.211 1.00 0.00 C ATOM 0 H TRP A 58 22.836 -0.159 8.560 1.00 0.00 H new ATOM 0 HA TRP A 58 24.321 0.722 6.280 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.195 -1.485 5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.094 -1.636 7.291 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.048 -2.831 8.261 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.876 -3.860 7.312 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.313 -1.005 3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.445 -3.856 4.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.533 -1.534 1.836 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.598 -2.953 2.490 1.00 0.00 H new ATOM 879 N VAL A 59 21.089 0.857 5.984 1.00 0.00 N ATOM 880 CA VAL A 59 20.034 1.368 5.074 1.00 0.00 C ATOM 881 C VAL A 59 20.312 2.839 4.787 1.00 0.00 C ATOM 882 O VAL A 59 20.252 3.286 3.659 1.00 0.00 O ATOM 883 CB VAL A 59 18.672 1.213 5.746 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.578 1.801 4.851 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.410 -0.274 5.972 1.00 0.00 C ATOM 0 H VAL A 59 20.775 0.604 6.921 1.00 0.00 H new ATOM 0 HA VAL A 59 20.033 0.807 4.139 1.00 0.00 H new ATOM 0 HB VAL A 59 18.666 1.743 6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.609 1.686 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.776 2.859 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.568 1.276 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.440 -0.404 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.413 -0.794 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.190 -0.688 6.612 1.00 0.00 H new ATOM 895 N GLN A 60 20.633 3.593 5.798 1.00 0.00 N ATOM 896 CA GLN A 60 20.936 5.033 5.576 1.00 0.00 C ATOM 897 C GLN A 60 22.197 5.158 4.716 1.00 0.00 C ATOM 898 O GLN A 60 22.316 6.044 3.893 1.00 0.00 O ATOM 899 CB GLN A 60 21.163 5.723 6.923 1.00 0.00 C ATOM 900 CG GLN A 60 19.941 5.512 7.819 1.00 0.00 C ATOM 901 CD GLN A 60 20.238 6.041 9.222 1.00 0.00 C ATOM 902 OE1 GLN A 60 20.479 5.275 10.135 1.00 0.00 O ATOM 903 NE2 GLN A 60 20.233 7.328 9.436 1.00 0.00 N ATOM 0 H GLN A 60 20.699 3.277 6.766 1.00 0.00 H new ATOM 0 HA GLN A 60 20.098 5.508 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.054 5.319 7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.337 6.788 6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.077 6.028 7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.689 4.452 7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.031 7.971 8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.431 7.691 10.369 1.00 0.00 H new ATOM 912 N GLU A 61 23.141 4.276 4.907 1.00 0.00 N ATOM 913 CA GLU A 61 24.401 4.335 4.110 1.00 0.00 C ATOM 914 C GLU A 61 24.104 4.069 2.631 1.00 0.00 C ATOM 915 O GLU A 61 24.522 4.808 1.761 1.00 0.00 O ATOM 916 CB GLU A 61 25.380 3.281 4.629 1.00 0.00 C ATOM 917 CG GLU A 61 26.741 3.470 3.954 1.00 0.00 C ATOM 918 CD GLU A 61 27.725 2.425 4.483 1.00 0.00 C ATOM 919 OE1 GLU A 61 27.658 2.121 5.663 1.00 0.00 O ATOM 920 OE2 GLU A 61 28.528 1.946 3.700 1.00 0.00 O ATOM 0 H GLU A 61 23.094 3.514 5.583 1.00 0.00 H new ATOM 0 HA GLU A 61 24.839 5.328 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.484 3.367 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.997 2.281 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.639 3.374 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 27.120 4.473 4.150 1.00 0.00 H new ATOM 927 N TYR A 62 23.391 3.017 2.341 1.00 0.00 N ATOM 928 CA TYR A 62 23.072 2.699 0.918 1.00 0.00 C ATOM 929 C TYR A 62 22.251 3.840 0.307 1.00 0.00 C ATOM 930 O TYR A 62 22.406 4.174 -0.850 1.00 0.00 O ATOM 931 CB TYR A 62 22.267 1.390 0.848 1.00 0.00 C ATOM 932 CG TYR A 62 23.192 0.186 0.914 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.124 0.052 1.965 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.110 -0.813 -0.080 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.968 -1.077 2.020 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.955 -1.937 -0.024 1.00 0.00 C ATOM 937 CZ TYR A 62 24.883 -2.069 1.025 1.00 0.00 C ATOM 938 OH TYR A 62 25.710 -3.172 1.081 1.00 0.00 O ATOM 0 H TYR A 62 23.014 2.362 3.027 1.00 0.00 H new ATOM 0 HA TYR A 62 24.000 2.582 0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.553 1.352 1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.690 1.361 -0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.191 0.814 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.397 -0.714 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.680 -1.180 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.891 -2.699 -0.787 1.00 0.00 H new ATOM 0 HH TYR A 62 25.522 -3.760 0.320 1.00 0.00 H new ATOM 948 N VAL A 63 21.386 4.445 1.073 1.00 0.00 N ATOM 949 CA VAL A 63 20.574 5.562 0.527 1.00 0.00 C ATOM 950 C VAL A 63 21.507 6.715 0.198 1.00 0.00 C ATOM 951 O VAL A 63 21.369 7.379 -0.808 1.00 0.00 O ATOM 952 CB VAL A 63 19.547 6.005 1.572 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.864 7.296 1.114 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.493 4.907 1.746 1.00 0.00 C ATOM 0 H VAL A 63 21.208 4.213 2.050 1.00 0.00 H new ATOM 0 HA VAL A 63 20.046 5.243 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 63 20.053 6.183 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 63 18.134 7.606 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.612 8.079 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.359 7.123 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.761 5.220 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.991 4.730 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.976 3.988 2.077 1.00 0.00 H new ATOM 964 N TYR A 64 22.463 6.953 1.046 1.00 0.00 N ATOM 965 CA TYR A 64 23.416 8.060 0.797 1.00 0.00 C ATOM 966 C TYR A 64 24.182 7.779 -0.493 1.00 0.00 C ATOM 967 O TYR A 64 24.387 8.650 -1.313 1.00 0.00 O ATOM 968 CB TYR A 64 24.398 8.151 1.970 1.00 0.00 C ATOM 969 CG TYR A 64 25.074 9.504 1.968 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.357 10.647 2.367 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.420 9.620 1.570 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.985 11.908 2.368 1.00 0.00 C ATOM 973 CE2 TYR A 64 27.048 10.880 1.571 1.00 0.00 C ATOM 974 CZ TYR A 64 26.330 12.024 1.969 1.00 0.00 C ATOM 975 OH TYR A 64 26.946 13.260 1.970 1.00 0.00 O ATOM 0 H TYR A 64 22.625 6.426 1.904 1.00 0.00 H new ATOM 0 HA TYR A 64 22.876 9.002 0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.870 8.000 2.911 1.00 0.00 H new ATOM 0 HB3 TYR A 64 25.145 7.361 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.325 10.558 2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.970 8.743 1.264 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.435 12.785 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 64 28.080 10.969 1.267 1.00 0.00 H new ATOM 0 HH TYR A 64 27.874 13.163 1.669 1.00 0.00 H new ATOM 985 N ASP A 65 24.605 6.564 -0.669 1.00 0.00 N ATOM 986 CA ASP A 65 25.364 6.203 -1.899 1.00 0.00 C ATOM 987 C ASP A 65 24.485 6.440 -3.130 1.00 0.00 C ATOM 988 O ASP A 65 24.958 6.823 -4.181 1.00 0.00 O ATOM 989 CB ASP A 65 25.759 4.724 -1.825 1.00 0.00 C ATOM 990 CG ASP A 65 26.983 4.560 -0.918 1.00 0.00 C ATOM 991 OD1 ASP A 65 26.806 4.568 0.289 1.00 0.00 O ATOM 992 OD2 ASP A 65 28.074 4.429 -1.447 1.00 0.00 O ATOM 0 H ASP A 65 24.458 5.798 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 65 26.260 6.819 -1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.927 4.135 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.981 4.347 -2.823 1.00 0.00 H new ATOM 997 N LEU A 66 23.208 6.214 -3.004 1.00 0.00 N ATOM 998 CA LEU A 66 22.291 6.423 -4.158 1.00 0.00 C ATOM 999 C LEU A 66 22.129 7.924 -4.416 1.00 0.00 C ATOM 1000 O LEU A 66 21.927 8.354 -5.534 1.00 0.00 O ATOM 1001 CB LEU A 66 20.930 5.796 -3.828 1.00 0.00 C ATOM 1002 CG LEU A 66 20.971 4.272 -4.073 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.867 3.588 -3.264 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.746 3.964 -5.562 1.00 0.00 C ATOM 0 H LEU A 66 22.758 5.892 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 66 22.701 5.954 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.671 5.998 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.154 6.250 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 66 21.949 3.901 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.900 2.513 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 66 20.017 3.787 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.896 3.977 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.778 2.886 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.773 4.347 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.527 4.440 -6.154 1.00 0.00 H new ATOM 1016 N GLU A 67 22.220 8.722 -3.391 1.00 0.00 N ATOM 1017 CA GLU A 67 22.078 10.195 -3.578 1.00 0.00 C ATOM 1018 C GLU A 67 23.331 10.735 -4.264 1.00 0.00 C ATOM 1019 O GLU A 67 23.293 11.726 -4.965 1.00 0.00 O ATOM 1020 CB GLU A 67 21.918 10.869 -2.215 1.00 0.00 C ATOM 1021 CG GLU A 67 20.549 10.524 -1.637 1.00 0.00 C ATOM 1022 CD GLU A 67 20.304 11.348 -0.372 1.00 0.00 C ATOM 1023 OE1 GLU A 67 21.068 12.267 -0.130 1.00 0.00 O ATOM 1024 OE2 GLU A 67 19.356 11.045 0.334 1.00 0.00 O ATOM 0 H GLU A 67 22.387 8.420 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 67 21.202 10.404 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.705 10.537 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.020 11.949 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 67 19.771 10.728 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.498 9.460 -1.406 1.00 0.00 H new ATOM 1116 N SER B 5 10.986 -9.555 -3.726 1.00 0.00 N ATOM 1117 CA SER B 5 11.479 -10.006 -2.392 1.00 0.00 C ATOM 1118 C SER B 5 10.450 -9.639 -1.309 1.00 0.00 C ATOM 1119 O SER B 5 9.852 -10.500 -0.693 1.00 0.00 O ATOM 1120 CB SER B 5 12.839 -9.347 -2.102 1.00 0.00 C ATOM 1121 OG SER B 5 13.796 -10.363 -1.827 1.00 0.00 O ATOM 0 HA SER B 5 11.608 -11.088 -2.390 1.00 0.00 H new ATOM 0 HB2 SER B 5 13.158 -8.750 -2.957 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.755 -8.669 -1.253 1.00 0.00 H new ATOM 0 HG SER B 5 14.666 -9.952 -1.643 1.00 0.00 H new ATOM 1127 N ASP B 6 10.242 -8.371 -1.070 1.00 0.00 N ATOM 1128 CA ASP B 6 9.254 -7.955 -0.026 1.00 0.00 C ATOM 1129 C ASP B 6 8.769 -6.524 -0.310 1.00 0.00 C ATOM 1130 O ASP B 6 9.102 -5.614 0.424 1.00 0.00 O ATOM 1131 CB ASP B 6 9.919 -7.987 1.357 1.00 0.00 C ATOM 1132 CG ASP B 6 10.691 -9.297 1.527 1.00 0.00 C ATOM 1133 OD1 ASP B 6 10.071 -10.286 1.882 1.00 0.00 O ATOM 1134 OD2 ASP B 6 11.890 -9.290 1.300 1.00 0.00 O ATOM 0 H ASP B 6 10.712 -7.604 -1.551 1.00 0.00 H new ATOM 0 HA ASP B 6 8.408 -8.642 -0.046 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.595 -7.139 1.466 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.163 -7.895 2.137 1.00 0.00 H new ATOM 1139 N PRO B 7 8.000 -6.356 -1.364 1.00 0.00 N ATOM 1140 CA PRO B 7 7.481 -5.024 -1.735 1.00 0.00 C ATOM 1141 C PRO B 7 6.515 -4.514 -0.642 1.00 0.00 C ATOM 1142 O PRO B 7 6.110 -5.275 0.214 1.00 0.00 O ATOM 1143 CB PRO B 7 6.748 -5.247 -3.081 1.00 0.00 C ATOM 1144 CG PRO B 7 6.829 -6.767 -3.415 1.00 0.00 C ATOM 1145 CD PRO B 7 7.597 -7.456 -2.265 1.00 0.00 C ATOM 0 HA PRO B 7 8.265 -4.273 -1.829 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.709 -4.926 -3.009 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.211 -4.656 -3.871 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.830 -7.191 -3.516 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.340 -6.924 -4.365 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.967 -8.180 -1.748 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.465 -7.998 -2.639 1.00 0.00 H new ATOM 1153 N PRO B 8 6.165 -3.243 -0.703 1.00 0.00 N ATOM 1154 CA PRO B 8 5.240 -2.642 0.282 1.00 0.00 C ATOM 1155 C PRO B 8 3.880 -3.358 0.235 1.00 0.00 C ATOM 1156 O PRO B 8 3.771 -4.475 -0.231 1.00 0.00 O ATOM 1157 CB PRO B 8 5.110 -1.160 -0.147 1.00 0.00 C ATOM 1158 CG PRO B 8 5.895 -0.991 -1.481 1.00 0.00 C ATOM 1159 CD PRO B 8 6.656 -2.309 -1.741 1.00 0.00 C ATOM 0 HA PRO B 8 5.601 -2.732 1.307 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.063 -0.890 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.513 -0.501 0.622 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.213 -0.774 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.590 -0.154 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.455 -2.690 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.734 -2.165 -1.665 1.00 0.00 H new ATOM 1167 N THR B 9 2.846 -2.716 0.713 1.00 0.00 N ATOM 1168 CA THR B 9 1.494 -3.351 0.699 1.00 0.00 C ATOM 1169 C THR B 9 0.417 -2.267 0.712 1.00 0.00 C ATOM 1170 O THR B 9 0.427 -1.373 1.536 1.00 0.00 O ATOM 1171 CB THR B 9 1.334 -4.238 1.933 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.503 -5.029 2.101 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.118 -5.151 1.755 1.00 0.00 C ATOM 0 H THR B 9 2.879 -1.778 1.113 1.00 0.00 H new ATOM 0 HA THR B 9 1.390 -3.956 -0.202 1.00 0.00 H new ATOM 0 HB THR B 9 1.189 -3.612 2.814 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.477 -5.469 2.977 1.00 0.00 H new ATOM 0 HG21 THR B 9 0.005 -5.783 2.636 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.778 -4.543 1.627 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.259 -5.778 0.875 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.513 -2.343 -0.197 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.598 -1.326 -0.249 1.00 0.00 C ATOM 1183 C ALA B 10 -2.523 -1.492 0.957 1.00 0.00 C ATOM 1184 O ALA B 10 -3.575 -2.093 0.863 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.403 -1.521 -1.533 1.00 0.00 C ATOM 0 H ALA B 10 -0.568 -3.070 -0.910 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.161 -0.328 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.200 -0.779 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.747 -1.402 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.837 -2.521 -1.542 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.144 -0.951 2.088 1.00 0.00 N ATOM 1192 CA CYS B 11 -2.997 -1.057 3.313 1.00 0.00 C ATOM 1193 C CYS B 11 -3.594 0.320 3.614 1.00 0.00 C ATOM 1194 O CYS B 11 -2.923 1.329 3.522 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.138 -1.511 4.497 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.294 -3.058 4.074 1.00 0.00 S ATOM 0 H CYS B 11 -1.273 -0.436 2.217 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.794 -1.782 3.150 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.407 -0.742 4.746 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.762 -1.654 5.379 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.851 0.374 3.961 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.483 1.691 4.256 1.00 0.00 C ATOM 1203 C CYS B 12 -4.952 2.229 5.585 1.00 0.00 C ATOM 1204 O CYS B 12 -4.704 1.485 6.513 1.00 0.00 O ATOM 1205 CB CYS B 12 -7.003 1.526 4.343 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.657 1.059 2.720 1.00 0.00 S ATOM 0 H CYS B 12 -5.466 -0.434 4.053 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.240 2.392 3.458 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.255 0.764 5.081 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.461 2.457 4.677 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.780 3.523 5.683 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.271 4.134 6.950 1.00 0.00 C ATOM 1213 C PHE B 13 -5.444 4.769 7.696 1.00 0.00 C ATOM 1214 O PHE B 13 -5.373 5.043 8.877 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.242 5.215 6.612 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.918 6.328 5.850 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.203 6.170 4.481 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.268 7.522 6.510 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.838 7.206 3.771 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -4.902 8.558 5.800 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.188 8.400 4.429 1.00 0.00 C ATOM 0 H PHE B 13 -4.972 4.188 4.934 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.804 3.369 7.571 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.794 5.605 7.526 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.434 4.790 6.017 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.935 5.254 3.975 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.050 7.642 7.561 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.057 7.085 2.720 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.169 9.474 6.305 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.675 9.195 3.884 1.00 0.00 H new ATOM 1231 N SER B 14 -6.525 5.003 7.005 1.00 0.00 N ATOM 1232 CA SER B 14 -7.718 5.618 7.649 1.00 0.00 C ATOM 1233 C SER B 14 -8.961 5.246 6.842 1.00 0.00 C ATOM 1234 O SER B 14 -8.994 4.232 6.173 1.00 0.00 O ATOM 1235 CB SER B 14 -7.559 7.139 7.673 1.00 0.00 C ATOM 1236 OG SER B 14 -7.661 7.642 6.347 1.00 0.00 O ATOM 0 H SER B 14 -6.633 4.792 6.013 1.00 0.00 H new ATOM 0 HA SER B 14 -7.817 5.253 8.671 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.327 7.587 8.304 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.595 7.409 8.104 1.00 0.00 H new ATOM 0 HG SER B 14 -6.763 7.801 5.988 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.988 6.050 6.896 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.228 5.729 6.128 1.00 0.00 C ATOM 1244 C TYR B 15 -11.987 7.022 5.827 1.00 0.00 C ATOM 1245 O TYR B 15 -11.836 8.014 6.513 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.118 4.795 6.960 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.259 3.780 7.676 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.930 2.564 7.047 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.782 4.053 8.973 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.126 1.621 7.717 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -9.977 3.111 9.641 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.650 1.895 9.014 1.00 0.00 C ATOM 1253 OH TYR B 15 -8.861 0.971 9.669 1.00 0.00 O ATOM 0 H TYR B 15 -10.023 6.914 7.437 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.961 5.237 5.193 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.694 5.373 7.683 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.835 4.288 6.314 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.294 2.354 6.052 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.034 4.986 9.455 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.874 0.687 7.236 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.610 3.322 10.635 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.617 1.317 10.553 1.00 0.00 H new ATOM 1263 N THR B 16 -12.806 7.021 4.811 1.00 0.00 N ATOM 1264 CA THR B 16 -13.573 8.254 4.484 1.00 0.00 C ATOM 1265 C THR B 16 -14.415 8.647 5.701 1.00 0.00 C ATOM 1266 O THR B 16 -14.177 8.187 6.801 1.00 0.00 O ATOM 1267 CB THR B 16 -14.473 7.998 3.267 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.292 9.134 3.033 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.355 6.774 3.514 1.00 0.00 C ATOM 0 H THR B 16 -12.976 6.224 4.197 1.00 0.00 H new ATOM 0 HA THR B 16 -12.889 9.067 4.240 1.00 0.00 H new ATOM 0 HB THR B 16 -13.846 7.814 2.395 1.00 0.00 H new ATOM 0 HG1 THR B 16 -14.736 9.941 3.021 1.00 0.00 H new ATOM 0 HG21 THR B 16 -15.989 6.601 2.645 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.726 5.900 3.683 1.00 0.00 H new ATOM 0 HG23 THR B 16 -15.980 6.947 4.390 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.394 9.495 5.524 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.244 9.917 6.679 1.00 0.00 C ATOM 1279 C ALA B 17 -17.687 10.085 6.203 1.00 0.00 C ATOM 1280 O ALA B 17 -18.528 10.614 6.903 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.722 11.248 7.230 1.00 0.00 C ATOM 0 H ALA B 17 -15.643 9.915 4.628 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.206 9.162 7.464 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.339 11.560 8.073 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.691 11.125 7.561 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.764 12.007 6.449 1.00 0.00 H new ATOM 1287 N ARG B 18 -17.978 9.628 5.014 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.366 9.743 4.471 1.00 0.00 C ATOM 1289 C ARG B 18 -19.715 8.449 3.733 1.00 0.00 C ATOM 1290 O ARG B 18 -18.991 8.008 2.863 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.445 10.915 3.481 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.360 12.267 4.226 1.00 0.00 C ATOM 1293 CD ARG B 18 -17.886 12.678 4.457 1.00 0.00 C ATOM 1294 NE ARG B 18 -17.713 13.189 5.856 1.00 0.00 N ATOM 1295 CZ ARG B 18 -18.542 14.063 6.369 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -19.477 14.598 5.635 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -18.410 14.425 7.616 1.00 0.00 N ATOM 0 H ARG B 18 -17.309 9.176 4.390 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.063 9.915 5.291 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -18.633 10.841 2.757 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.378 10.861 2.920 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.870 13.038 3.649 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -19.875 12.192 5.184 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -17.230 11.824 4.289 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -17.597 13.447 3.741 1.00 0.00 H new ATOM 0 HE ARG B 18 -16.934 12.849 6.419 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -19.567 14.336 4.653 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -20.119 15.278 6.042 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -17.664 14.027 8.186 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -19.053 15.106 8.020 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.819 7.840 4.067 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.204 6.582 3.374 1.00 0.00 C ATOM 1313 C LYS B 19 -21.440 6.887 1.891 1.00 0.00 C ATOM 1314 O LYS B 19 -22.160 7.800 1.539 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.482 6.011 4.016 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.181 5.042 3.050 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.204 4.196 3.810 1.00 0.00 C ATOM 1318 CE LYS B 19 -25.325 5.081 4.354 1.00 0.00 C ATOM 1319 NZ LYS B 19 -25.808 6.001 3.284 1.00 0.00 N ATOM 0 H LYS B 19 -21.468 8.158 4.787 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.409 5.842 3.467 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.231 5.493 4.942 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.159 6.824 4.279 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.676 5.601 2.256 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.444 4.396 2.573 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -24.620 3.436 3.149 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -23.715 3.672 4.631 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -26.148 4.462 4.713 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -24.965 5.657 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -26.789 6.282 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.204 6.847 3.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.768 5.516 2.365 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.836 6.126 1.023 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.019 6.364 -0.433 1.00 0.00 C ATOM 1335 C LEU B 20 -22.425 5.880 -0.858 1.00 0.00 C ATOM 1336 O LEU B 20 -22.728 4.719 -0.664 1.00 0.00 O ATOM 1337 CB LEU B 20 -19.976 5.551 -1.199 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.595 5.730 -0.567 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.550 5.055 -1.453 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.268 7.223 -0.441 1.00 0.00 C ATOM 0 H LEU B 20 -20.222 5.347 1.261 1.00 0.00 H new ATOM 0 HA LEU B 20 -20.909 7.427 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.252 4.496 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -19.951 5.869 -2.241 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.589 5.279 0.425 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.562 5.178 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.779 3.993 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.562 5.512 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.283 7.343 0.010 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.273 7.681 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.016 7.708 0.187 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.253 6.737 -1.437 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.593 6.301 -1.873 1.00 0.00 C ATOM 1354 C PRO B 21 -24.463 5.097 -2.811 1.00 0.00 C ATOM 1355 O PRO B 21 -23.531 5.006 -3.582 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.188 7.517 -2.617 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.229 8.718 -2.380 1.00 0.00 C ATOM 1358 CD PRO B 21 -22.955 8.165 -1.703 1.00 0.00 C ATOM 0 HA PRO B 21 -25.226 5.992 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.284 7.306 -3.682 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.187 7.744 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -23.982 9.204 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.704 9.470 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.085 8.273 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.734 8.701 -0.780 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.394 4.186 -2.768 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.316 3.014 -3.682 1.00 0.00 C ATOM 1368 C ARG B 22 -25.087 3.523 -5.107 1.00 0.00 C ATOM 1369 O ARG B 22 -24.419 2.897 -5.905 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.621 2.225 -3.622 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.514 1.006 -4.549 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.739 0.087 -4.380 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.305 -1.344 -4.430 1.00 0.00 N ATOM 1374 CZ ARG B 22 -26.502 -1.777 -5.367 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -26.187 -1.013 -6.376 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -26.052 -3.001 -5.318 1.00 0.00 N ATOM 0 H ARG B 22 -26.201 4.202 -2.144 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.496 2.362 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.819 1.904 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.456 2.856 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.440 1.336 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.603 0.451 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -28.233 0.294 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.466 0.285 -5.168 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.642 -1.994 -3.720 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -26.568 -0.069 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -25.560 -1.360 -7.102 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -26.327 -3.615 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -25.425 -3.344 -6.046 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.638 4.665 -5.423 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.458 5.234 -6.787 1.00 0.00 C ATOM 1392 C ASN B 23 -24.025 5.751 -6.945 1.00 0.00 C ATOM 1393 O ASN B 23 -23.725 6.498 -7.855 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.441 6.390 -6.991 1.00 0.00 C ATOM 1395 CG ASN B 23 -26.477 6.775 -8.470 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -26.517 5.920 -9.332 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -26.464 8.037 -8.803 1.00 0.00 N ATOM 0 H ASN B 23 -26.207 5.229 -4.791 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.647 4.458 -7.529 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -27.436 6.098 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.141 7.247 -6.389 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -26.487 8.305 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -26.430 8.755 -8.079 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.140 5.367 -6.060 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.723 5.845 -6.149 1.00 0.00 C ATOM 1406 C PHE B 24 -20.781 4.689 -5.795 1.00 0.00 C ATOM 1407 O PHE B 24 -19.693 4.889 -5.293 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.529 7.010 -5.160 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.339 7.868 -5.558 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.313 8.510 -6.816 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.261 8.040 -4.663 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.215 9.314 -7.174 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.165 8.845 -5.026 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.142 9.481 -6.281 1.00 0.00 C ATOM 0 H PHE B 24 -23.336 4.742 -5.278 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.501 6.189 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.430 7.622 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.379 6.617 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.136 8.384 -7.503 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.277 7.553 -3.699 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.197 9.804 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.341 8.975 -4.340 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.300 10.098 -6.558 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.198 3.475 -6.062 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.341 2.291 -5.755 1.00 0.00 C ATOM 1426 C VAL B 25 -20.647 1.180 -6.763 1.00 0.00 C ATOM 1427 O VAL B 25 -21.502 0.346 -6.538 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.648 1.783 -4.344 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.691 0.645 -3.988 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.471 2.918 -3.334 1.00 0.00 C ATOM 0 H VAL B 25 -22.101 3.254 -6.482 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.291 2.576 -5.817 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.676 1.423 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.912 0.285 -2.983 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.814 -0.170 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.664 1.008 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.691 2.551 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.444 3.281 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.152 3.733 -3.579 1.00 0.00 H new ATOM 1440 N VAL B 26 -19.961 1.164 -7.873 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.217 0.112 -8.897 1.00 0.00 C ATOM 1442 C VAL B 26 -19.418 -1.143 -8.556 1.00 0.00 C ATOM 1443 O VAL B 26 -19.619 -2.192 -9.134 1.00 0.00 O ATOM 1444 CB VAL B 26 -19.782 0.630 -10.266 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.501 1.945 -10.560 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.268 0.865 -10.266 1.00 0.00 C ATOM 0 H VAL B 26 -19.233 1.836 -8.115 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.280 -0.130 -8.912 1.00 0.00 H new ATOM 0 HB VAL B 26 -20.035 -0.104 -11.031 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.193 2.318 -11.537 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.578 1.779 -10.558 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.246 2.678 -9.795 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -17.957 1.235 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.014 1.600 -9.502 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.754 -0.072 -10.053 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.510 -1.047 -7.628 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.705 -2.246 -7.269 1.00 0.00 C ATOM 1458 C ASP B 27 -16.898 -1.955 -6.009 1.00 0.00 C ATOM 1459 O ASP B 27 -17.061 -0.929 -5.378 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.751 -2.578 -8.418 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.177 -3.982 -8.216 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -16.952 -4.884 -7.942 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -14.972 -4.131 -8.338 1.00 0.00 O ATOM 0 H ASP B 27 -18.291 -0.198 -7.106 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.369 -3.092 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.279 -2.523 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -15.944 -1.846 -8.458 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.026 -2.848 -5.637 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.208 -2.617 -4.418 1.00 0.00 C ATOM 1470 C TYR B 28 -13.920 -3.429 -4.498 1.00 0.00 C ATOM 1471 O TYR B 28 -13.629 -4.073 -5.487 1.00 0.00 O ATOM 1472 CB TYR B 28 -16.001 -3.010 -3.166 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.109 -4.519 -3.049 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.796 -5.259 -4.031 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.530 -5.182 -1.948 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.902 -6.657 -3.914 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.636 -6.579 -1.828 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.322 -7.318 -2.812 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.427 -8.689 -2.697 1.00 0.00 O ATOM 0 H TYR B 28 -15.845 -3.726 -6.124 1.00 0.00 H new ATOM 0 HA TYR B 28 -14.958 -1.558 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.513 -2.606 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -16.998 -2.572 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.242 -4.753 -4.874 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -15.003 -4.615 -1.194 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.428 -7.224 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.192 -7.085 -0.983 1.00 0.00 H new ATOM 0 HH TYR B 28 -15.972 -8.985 -1.881 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.144 -3.384 -3.462 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.860 -4.125 -3.450 1.00 0.00 C ATOM 1491 C TYR B 29 -11.399 -4.264 -1.993 1.00 0.00 C ATOM 1492 O TYR B 29 -11.534 -3.350 -1.211 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.843 -3.327 -4.282 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.431 -3.749 -3.955 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.948 -4.988 -4.407 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.602 -2.899 -3.199 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.631 -5.384 -4.101 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.285 -3.292 -2.893 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.800 -4.535 -3.343 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.508 -4.923 -3.044 1.00 0.00 O ATOM 0 H TYR B 29 -13.346 -2.859 -2.611 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.963 -5.121 -3.880 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.036 -3.480 -5.344 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -10.963 -2.261 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.586 -5.637 -4.989 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.976 -1.946 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.259 -6.337 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.647 -2.641 -2.314 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.070 -4.223 -2.516 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.862 -5.394 -1.617 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.402 -5.570 -0.203 1.00 0.00 C ATOM 1512 C GLU B 30 -8.897 -5.301 -0.122 1.00 0.00 C ATOM 1513 O GLU B 30 -8.178 -5.430 -1.093 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.694 -7.002 0.253 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.184 -7.146 0.576 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.482 -8.592 0.975 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.543 -9.312 1.269 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.647 -8.956 0.979 1.00 0.00 O ATOM 0 H GLU B 30 -10.721 -6.202 -2.223 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.931 -4.870 0.444 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.411 -7.708 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.096 -7.243 1.132 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.458 -6.470 1.386 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.784 -6.866 -0.290 1.00 0.00 H new ATOM 1525 N THR B 31 -8.418 -4.918 1.030 1.00 0.00 N ATOM 1526 CA THR B 31 -6.960 -4.627 1.182 1.00 0.00 C ATOM 1527 C THR B 31 -6.158 -5.929 1.176 1.00 0.00 C ATOM 1528 O THR B 31 -6.652 -6.980 0.819 1.00 0.00 O ATOM 1529 CB THR B 31 -6.730 -3.905 2.511 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.450 -4.578 3.526 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.214 -2.459 2.397 1.00 0.00 C ATOM 0 H THR B 31 -8.974 -4.793 1.876 1.00 0.00 H new ATOM 0 HA THR B 31 -6.633 -4.002 0.351 1.00 0.00 H new ATOM 0 HB THR B 31 -5.668 -3.903 2.757 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.544 -5.524 3.288 1.00 0.00 H new ATOM 0 HG21 THR B 31 -7.050 -1.945 3.344 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.660 -1.951 1.608 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.277 -2.449 2.158 1.00 0.00 H new ATOM 1539 N SER B 32 -4.917 -5.857 1.574 1.00 0.00 N ATOM 1540 CA SER B 32 -4.059 -7.072 1.604 1.00 0.00 C ATOM 1541 C SER B 32 -4.283 -7.828 2.914 1.00 0.00 C ATOM 1542 O SER B 32 -5.371 -7.855 3.454 1.00 0.00 O ATOM 1543 CB SER B 32 -2.593 -6.651 1.513 1.00 0.00 C ATOM 1544 OG SER B 32 -2.413 -5.823 0.371 1.00 0.00 O ATOM 0 H SER B 32 -4.458 -5.000 1.882 1.00 0.00 H new ATOM 0 HA SER B 32 -4.314 -7.718 0.764 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.300 -6.115 2.415 1.00 0.00 H new ATOM 0 HB3 SER B 32 -1.953 -7.531 1.443 1.00 0.00 H new ATOM 0 HG SER B 32 -1.653 -6.151 -0.154 1.00 0.00 H new ATOM 1550 N SER B 33 -3.252 -8.443 3.424 1.00 0.00 N ATOM 1551 CA SER B 33 -3.373 -9.210 4.700 1.00 0.00 C ATOM 1552 C SER B 33 -2.107 -8.995 5.524 1.00 0.00 C ATOM 1553 O SER B 33 -2.145 -8.916 6.737 1.00 0.00 O ATOM 1554 CB SER B 33 -3.509 -10.694 4.379 1.00 0.00 C ATOM 1555 OG SER B 33 -2.221 -11.238 4.124 1.00 0.00 O ATOM 0 H SER B 33 -2.321 -8.448 3.008 1.00 0.00 H new ATOM 0 HA SER B 33 -4.246 -8.871 5.258 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.979 -11.217 5.212 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.154 -10.833 3.511 1.00 0.00 H new ATOM 0 HG SER B 33 -2.304 -12.193 3.919 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.988 -8.910 4.860 1.00 0.00 N ATOM 1562 CA LEU B 34 0.315 -8.706 5.562 1.00 0.00 C ATOM 1563 C LEU B 34 0.147 -7.711 6.712 1.00 0.00 C ATOM 1564 O LEU B 34 0.450 -8.003 7.852 1.00 0.00 O ATOM 1565 CB LEU B 34 1.344 -8.149 4.575 1.00 0.00 C ATOM 1566 CG LEU B 34 1.256 -8.894 3.243 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.405 -8.444 2.338 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.356 -10.403 3.489 1.00 0.00 C ATOM 0 H LEU B 34 -0.918 -8.974 3.844 1.00 0.00 H new ATOM 0 HA LEU B 34 0.653 -9.664 5.958 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.168 -7.085 4.417 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.347 -8.248 4.990 1.00 0.00 H new ATOM 0 HG LEU B 34 0.303 -8.672 2.763 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.347 -8.972 1.386 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.331 -7.371 2.162 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.357 -8.668 2.820 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.293 -10.932 2.538 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.308 -10.631 3.969 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.538 -10.721 4.136 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.332 -6.538 6.416 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.517 -5.523 7.487 1.00 0.00 C ATOM 1582 C CYS B 35 -1.658 -5.964 8.409 1.00 0.00 C ATOM 1583 O CYS B 35 -2.725 -6.326 7.964 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.840 -4.163 6.856 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.954 -4.387 5.447 1.00 0.00 S ATOM 0 H CYS B 35 -0.603 -6.238 5.480 1.00 0.00 H new ATOM 0 HA CYS B 35 0.399 -5.431 8.071 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.302 -3.510 7.596 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.079 -3.676 6.530 1.00 0.00 H new ATOM 1590 N SER B 36 -1.425 -5.962 9.691 1.00 0.00 N ATOM 1591 CA SER B 36 -2.480 -6.394 10.654 1.00 0.00 C ATOM 1592 C SER B 36 -3.665 -5.415 10.657 1.00 0.00 C ATOM 1593 O SER B 36 -4.299 -5.223 11.675 1.00 0.00 O ATOM 1594 CB SER B 36 -1.880 -6.459 12.058 1.00 0.00 C ATOM 1595 OG SER B 36 -0.950 -7.531 12.121 1.00 0.00 O ATOM 0 H SER B 36 -0.543 -5.678 10.118 1.00 0.00 H new ATOM 0 HA SER B 36 -2.845 -7.375 10.348 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.385 -5.518 12.298 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.668 -6.602 12.797 1.00 0.00 H new ATOM 0 HG SER B 36 -0.562 -7.575 13.020 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.985 -4.788 9.549 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.138 -3.832 9.559 1.00 0.00 C ATOM 1603 C GLN B 37 -5.754 -3.699 8.157 1.00 0.00 C ATOM 1604 O GLN B 37 -5.703 -2.636 7.574 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.649 -2.458 10.029 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.347 -2.096 9.306 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.880 -0.712 9.763 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.561 0.272 9.554 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -1.737 -0.594 10.382 1.00 0.00 N ATOM 0 H GLN B 37 -3.508 -4.894 8.654 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.901 -4.214 10.237 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.409 -1.703 9.829 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.487 -2.469 11.107 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.580 -2.840 9.521 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.503 -2.101 8.227 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -1.165 -1.420 10.558 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -1.416 0.324 10.690 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.346 -4.764 7.661 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.997 -4.738 6.336 1.00 0.00 C ATOM 1620 C PRO B 38 -8.232 -3.826 6.402 1.00 0.00 C ATOM 1621 O PRO B 38 -8.533 -3.240 7.423 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.400 -6.208 6.064 1.00 0.00 C ATOM 1623 CG PRO B 38 -7.104 -7.020 7.360 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.411 -6.067 8.361 1.00 0.00 C ATOM 0 HA PRO B 38 -6.353 -4.352 5.546 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.456 -6.274 5.802 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.837 -6.611 5.222 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.027 -7.415 7.784 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.464 -7.874 7.139 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.977 -5.989 9.289 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.415 -6.425 8.623 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.942 -3.710 5.319 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.154 -2.856 5.291 1.00 0.00 C ATOM 1634 C ALA B 39 -10.862 -3.083 3.959 1.00 0.00 C ATOM 1635 O ALA B 39 -10.307 -3.679 3.057 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.752 -1.384 5.409 1.00 0.00 C ATOM 0 H ALA B 39 -8.729 -4.179 4.439 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.812 -3.109 6.122 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.645 -0.760 5.388 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.221 -1.226 6.348 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.103 -1.116 4.575 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.064 -2.598 3.809 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.779 -2.771 2.510 1.00 0.00 C ATOM 1644 C VAL B 40 -12.605 -1.482 1.712 1.00 0.00 C ATOM 1645 O VAL B 40 -12.567 -0.400 2.265 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.269 -3.042 2.758 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.059 -2.827 1.462 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.446 -4.492 3.211 1.00 0.00 C ATOM 0 H VAL B 40 -12.582 -2.091 4.527 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.370 -3.619 1.960 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.636 -2.360 3.525 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.116 -3.021 1.644 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.931 -1.798 1.125 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.692 -3.509 0.695 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.503 -4.691 3.389 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -14.076 -5.163 2.436 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.886 -4.657 4.131 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.478 -1.597 0.419 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.280 -0.392 -0.446 1.00 0.00 C ATOM 1660 C VAL B 41 -13.416 -0.302 -1.468 1.00 0.00 C ATOM 1661 O VAL B 41 -13.608 -1.187 -2.272 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.935 -0.528 -1.161 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.494 0.826 -1.706 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.887 -1.033 -0.167 1.00 0.00 C ATOM 0 H VAL B 41 -12.503 -2.484 -0.084 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.285 0.515 0.159 1.00 0.00 H new ATOM 0 HB VAL B 41 -11.038 -1.232 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.535 0.719 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.239 1.194 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.392 1.534 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.926 -1.132 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.794 -0.324 0.656 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.194 -2.003 0.223 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.180 0.758 -1.443 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.312 0.888 -2.411 1.00 0.00 C ATOM 1676 C PHE B 42 -14.853 1.625 -3.673 1.00 0.00 C ATOM 1677 O PHE B 42 -14.193 2.643 -3.611 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.456 1.677 -1.764 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.184 0.808 -0.762 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.879 -0.340 -1.197 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.179 1.149 0.605 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.563 -1.143 -0.265 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.865 0.345 1.536 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.556 -0.801 1.099 1.00 0.00 C ATOM 0 H PHE B 42 -14.071 1.539 -0.796 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.653 -0.111 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.062 2.565 -1.269 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.150 2.021 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.886 -0.603 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.648 2.028 0.939 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.094 -2.023 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.861 0.607 2.584 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.082 -1.418 1.812 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.229 1.122 -4.821 1.00 0.00 N ATOM 1695 CA GLN B 43 -14.861 1.783 -6.109 1.00 0.00 C ATOM 1696 C GLN B 43 -16.073 2.607 -6.563 1.00 0.00 C ATOM 1697 O GLN B 43 -17.162 2.077 -6.698 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.533 0.701 -7.140 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.310 -0.093 -6.677 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.196 -1.379 -7.497 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -13.773 -2.391 -7.149 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -12.471 -1.384 -8.583 1.00 0.00 N ATOM 0 H GLN B 43 -15.782 0.271 -4.921 1.00 0.00 H new ATOM 0 HA GLN B 43 -13.992 2.431 -5.995 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.386 0.034 -7.267 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.338 1.156 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.408 0.507 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.398 -0.332 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -11.986 -0.536 -8.876 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -12.389 -2.236 -9.138 1.00 0.00 H new ATOM 1711 N THR B 44 -15.920 3.906 -6.753 1.00 0.00 N ATOM 1712 CA THR B 44 -17.114 4.747 -7.136 1.00 0.00 C ATOM 1713 C THR B 44 -17.168 5.040 -8.635 1.00 0.00 C ATOM 1714 O THR B 44 -16.565 4.368 -9.448 1.00 0.00 O ATOM 1715 CB THR B 44 -17.053 6.078 -6.392 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.177 6.955 -7.081 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.538 5.848 -4.969 1.00 0.00 C ATOM 0 H THR B 44 -15.039 4.412 -6.662 1.00 0.00 H new ATOM 0 HA THR B 44 -18.005 4.179 -6.868 1.00 0.00 H new ATOM 0 HB THR B 44 -18.049 6.518 -6.344 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.493 7.877 -6.982 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.495 6.800 -4.439 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.211 5.170 -4.444 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.541 5.410 -5.009 1.00 0.00 H new ATOM 1725 N LYS B 45 -17.925 6.055 -8.992 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.087 6.449 -10.424 1.00 0.00 C ATOM 1727 C LYS B 45 -17.314 7.737 -10.712 1.00 0.00 C ATOM 1728 O LYS B 45 -16.972 8.019 -11.844 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.563 6.719 -10.702 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.388 5.502 -10.312 1.00 0.00 C ATOM 1731 CD LYS B 45 -21.855 5.746 -10.678 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.586 4.412 -10.753 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.176 3.688 -11.989 1.00 0.00 N ATOM 0 H LYS B 45 -18.446 6.635 -8.334 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.709 5.642 -11.052 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -19.895 7.591 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -19.709 6.946 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.016 4.616 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.295 5.313 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.325 6.389 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -21.921 6.264 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.357 3.810 -9.874 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.664 4.576 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -22.374 2.673 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -22.709 4.058 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -21.158 3.826 -12.151 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.055 8.537 -9.701 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.327 9.829 -9.920 1.00 0.00 C ATOM 1749 C ARG B 46 -15.192 9.928 -8.898 1.00 0.00 C ATOM 1750 O ARG B 46 -15.066 10.887 -8.167 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.316 10.999 -9.741 1.00 0.00 C ATOM 1752 CG ARG B 46 -16.834 12.256 -10.494 1.00 0.00 C ATOM 1753 CD ARG B 46 -15.659 12.917 -9.767 1.00 0.00 C ATOM 1754 NE ARG B 46 -15.457 14.290 -10.310 1.00 0.00 N ATOM 1755 CZ ARG B 46 -14.723 15.149 -9.656 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -14.169 14.806 -8.525 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -14.543 16.349 -10.133 1.00 0.00 N ATOM 0 H ARG B 46 -17.317 8.349 -8.733 1.00 0.00 H new ATOM 0 HA ARG B 46 -15.910 9.871 -10.926 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.300 10.707 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.426 11.227 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.533 11.985 -11.506 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -17.656 12.967 -10.585 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -15.857 12.962 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -14.754 12.324 -9.899 1.00 0.00 H new ATOM 0 HE ARG B 46 -15.892 14.559 -11.193 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -14.310 13.867 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -13.595 15.477 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -14.976 16.617 -11.017 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -13.970 17.020 -9.622 1.00 0.00 H new ATOM 1771 N SER B 47 -14.360 8.933 -8.850 1.00 0.00 N ATOM 1772 CA SER B 47 -13.222 8.947 -7.907 1.00 0.00 C ATOM 1773 C SER B 47 -12.305 7.790 -8.276 1.00 0.00 C ATOM 1774 O SER B 47 -11.839 7.688 -9.393 1.00 0.00 O ATOM 1775 CB SER B 47 -13.716 8.808 -6.461 1.00 0.00 C ATOM 1776 OG SER B 47 -14.114 7.468 -6.215 1.00 0.00 O ATOM 0 H SER B 47 -14.423 8.099 -9.434 1.00 0.00 H new ATOM 0 HA SER B 47 -12.684 9.893 -7.975 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.925 9.095 -5.768 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.554 9.484 -6.287 1.00 0.00 H new ATOM 0 HG SER B 47 -15.006 7.317 -6.593 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.064 6.913 -7.362 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.197 5.745 -7.649 1.00 0.00 C ATOM 1784 C LYS B 48 -11.498 4.676 -6.614 1.00 0.00 C ATOM 1785 O LYS B 48 -12.394 3.869 -6.770 1.00 0.00 O ATOM 1786 CB LYS B 48 -9.718 6.143 -7.542 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.326 7.053 -8.712 1.00 0.00 C ATOM 1788 CD LYS B 48 -7.801 7.104 -8.832 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.409 7.950 -10.046 1.00 0.00 C ATOM 1790 NZ LYS B 48 -5.983 7.694 -10.389 1.00 0.00 N ATOM 0 H LYS B 48 -12.434 6.951 -6.412 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.389 5.379 -8.658 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.540 6.657 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.093 5.250 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.762 6.679 -9.639 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.723 8.056 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.369 7.528 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.400 6.095 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -8.048 7.706 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.558 9.008 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -5.716 8.268 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.380 7.948 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -5.855 6.686 -10.613 1.00 0.00 H new ATOM 1804 N GLN B 49 -10.747 4.687 -5.544 1.00 0.00 N ATOM 1805 CA GLN B 49 -10.936 3.698 -4.447 1.00 0.00 C ATOM 1806 C GLN B 49 -11.103 4.463 -3.123 1.00 0.00 C ATOM 1807 O GLN B 49 -10.480 5.484 -2.903 1.00 0.00 O ATOM 1808 CB GLN B 49 -9.680 2.798 -4.398 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.980 1.415 -4.997 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.761 0.507 -4.826 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -8.848 -0.689 -5.021 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -7.620 1.029 -4.467 1.00 0.00 N ATOM 0 H GLN B 49 -9.994 5.356 -5.383 1.00 0.00 H new ATOM 0 HA GLN B 49 -11.820 3.082 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.866 3.270 -4.949 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.345 2.688 -3.367 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.847 0.974 -4.504 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -10.229 1.511 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -7.548 2.033 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -6.801 0.433 -4.350 1.00 0.00 H new ATOM 1821 N VAL B 50 -11.938 3.972 -2.241 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.150 4.655 -0.924 1.00 0.00 C ATOM 1823 C VAL B 50 -12.159 3.607 0.181 1.00 0.00 C ATOM 1824 O VAL B 50 -12.938 2.679 0.156 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.490 5.395 -0.936 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.566 6.325 0.278 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.610 6.213 -2.227 1.00 0.00 C ATOM 0 H VAL B 50 -12.486 3.122 -2.376 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.347 5.372 -0.749 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.308 4.676 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.519 6.854 0.272 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.482 5.737 1.192 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.751 7.047 0.235 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.564 6.740 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.795 6.936 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.556 5.546 -3.087 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.301 3.747 1.153 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.254 2.749 2.256 1.00 0.00 C ATOM 1839 C CYS B 51 -12.477 2.921 3.154 1.00 0.00 C ATOM 1840 O CYS B 51 -13.035 3.995 3.264 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.983 2.969 3.079 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.528 2.745 2.025 1.00 0.00 S ATOM 0 H CYS B 51 -10.630 4.511 1.231 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.252 1.742 1.838 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.984 3.972 3.506 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.952 2.267 3.913 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.904 1.863 3.793 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.102 1.950 4.683 1.00 0.00 C ATOM 1849 C ALA B 52 -13.902 1.045 5.902 1.00 0.00 C ATOM 1850 O ALA B 52 -13.437 -0.073 5.790 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.339 1.488 3.910 1.00 0.00 C ATOM 0 H ALA B 52 -12.474 0.940 3.737 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.236 2.980 5.013 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.215 1.550 4.555 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.484 2.127 3.039 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.200 0.457 3.584 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.251 1.526 7.065 1.00 0.00 N ATOM 1858 CA ASP B 53 -14.086 0.705 8.300 1.00 0.00 C ATOM 1859 C ASP B 53 -15.084 -0.480 8.272 1.00 0.00 C ATOM 1860 O ASP B 53 -16.274 -0.242 8.279 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.402 1.577 9.518 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.267 2.579 9.741 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -12.319 2.226 10.421 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.369 3.683 9.230 1.00 0.00 O ATOM 0 H ASP B 53 -14.645 2.455 7.214 1.00 0.00 H new ATOM 0 HA ASP B 53 -13.065 0.328 8.353 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -15.343 2.106 9.365 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -14.528 0.952 10.402 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.612 -1.721 8.245 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.536 -2.875 8.224 1.00 0.00 C ATOM 1871 C PRO B 54 -16.376 -2.895 9.510 1.00 0.00 C ATOM 1872 O PRO B 54 -17.301 -3.670 9.648 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.626 -4.122 8.140 1.00 0.00 C ATOM 1874 CG PRO B 54 -13.151 -3.630 8.165 1.00 0.00 C ATOM 1875 CD PRO B 54 -13.174 -2.086 8.230 1.00 0.00 C ATOM 0 HA PRO B 54 -16.235 -2.834 7.389 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.820 -4.794 8.976 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.827 -4.682 7.227 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.625 -4.042 9.026 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.620 -3.968 7.275 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.665 -1.721 9.123 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.665 -1.648 7.372 1.00 0.00 H new ATOM 1883 N SER B 55 -16.050 -2.057 10.452 1.00 0.00 N ATOM 1884 CA SER B 55 -16.815 -2.037 11.731 1.00 0.00 C ATOM 1885 C SER B 55 -18.158 -1.334 11.522 1.00 0.00 C ATOM 1886 O SER B 55 -19.078 -1.498 12.297 1.00 0.00 O ATOM 1887 CB SER B 55 -16.010 -1.289 12.794 1.00 0.00 C ATOM 1888 OG SER B 55 -16.730 -1.296 14.020 1.00 0.00 O ATOM 0 H SER B 55 -15.286 -1.384 10.393 1.00 0.00 H new ATOM 0 HA SER B 55 -16.993 -3.061 12.059 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.036 -1.761 12.928 1.00 0.00 H new ATOM 0 HB3 SER B 55 -15.826 -0.264 12.473 1.00 0.00 H new ATOM 0 HG SER B 55 -16.216 -0.818 14.704 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.284 -0.558 10.480 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.576 0.141 10.231 1.00 0.00 C ATOM 1896 C GLU B 56 -20.548 -0.830 9.552 1.00 0.00 C ATOM 1897 O GLU B 56 -20.302 -1.328 8.470 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.338 1.357 9.334 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.777 2.514 10.166 1.00 0.00 C ATOM 1900 CD GLU B 56 -19.886 3.097 11.043 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -20.922 3.445 10.500 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.682 3.187 12.242 1.00 0.00 O ATOM 0 H GLU B 56 -17.551 -0.379 9.793 1.00 0.00 H new ATOM 0 HA GLU B 56 -20.002 0.478 11.176 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.642 1.100 8.535 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.272 1.658 8.859 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -17.954 2.163 10.788 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.374 3.286 9.510 1.00 0.00 H new ATOM 1909 N SER B 57 -21.639 -1.110 10.201 1.00 0.00 N ATOM 1910 CA SER B 57 -22.643 -2.059 9.643 1.00 0.00 C ATOM 1911 C SER B 57 -23.003 -1.711 8.196 1.00 0.00 C ATOM 1912 O SER B 57 -23.202 -2.588 7.378 1.00 0.00 O ATOM 1913 CB SER B 57 -23.908 -2.010 10.500 1.00 0.00 C ATOM 1914 OG SER B 57 -23.605 -2.465 11.812 1.00 0.00 O ATOM 0 H SER B 57 -21.884 -0.716 11.110 1.00 0.00 H new ATOM 0 HA SER B 57 -22.209 -3.059 9.654 1.00 0.00 H new ATOM 0 HB2 SER B 57 -24.297 -0.992 10.536 1.00 0.00 H new ATOM 0 HB3 SER B 57 -24.685 -2.633 10.057 1.00 0.00 H new ATOM 0 HG SER B 57 -24.414 -2.433 12.364 1.00 0.00 H new ATOM 1920 N TRP B 58 -23.116 -0.454 7.866 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.494 -0.104 6.469 1.00 0.00 C ATOM 1922 C TRP B 58 -22.434 -0.628 5.502 1.00 0.00 C ATOM 1923 O TRP B 58 -22.727 -0.975 4.378 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.690 1.414 6.327 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.385 2.140 6.183 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.796 2.871 7.157 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.524 2.254 5.008 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.628 3.422 6.661 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.410 3.069 5.347 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.593 1.732 3.696 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.400 3.358 4.416 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.579 2.020 2.756 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.486 2.830 3.118 1.00 0.00 C ATOM 0 H TRP B 58 -22.965 0.336 8.494 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.444 -0.578 6.223 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.316 1.619 5.459 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.221 1.794 7.200 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.176 3.003 8.159 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.003 4.018 7.203 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.427 1.108 3.410 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.564 3.981 4.696 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.642 1.617 1.756 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.712 3.046 2.396 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.212 -0.716 5.937 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.154 -1.240 5.037 1.00 0.00 C ATOM 1946 C VAL B 59 -20.431 -2.715 4.770 1.00 0.00 C ATOM 1947 O VAL B 59 -20.369 -3.177 3.649 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.794 -1.076 5.711 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.698 -1.676 4.827 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.532 0.415 5.916 1.00 0.00 C ATOM 0 H VAL B 59 -20.901 -0.449 6.871 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.150 -0.692 4.095 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.790 -1.593 6.671 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.731 -1.555 5.314 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.896 -2.737 4.671 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.686 -1.164 3.865 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.563 0.551 6.397 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.532 0.921 4.950 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.313 0.838 6.547 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.755 -3.454 5.790 1.00 0.00 N ATOM 1961 CA GLN B 60 -21.057 -4.898 5.588 1.00 0.00 C ATOM 1962 C GLN B 60 -22.316 -5.035 4.726 1.00 0.00 C ATOM 1963 O GLN B 60 -22.434 -5.932 3.915 1.00 0.00 O ATOM 1964 CB GLN B 60 -21.288 -5.569 6.944 1.00 0.00 C ATOM 1965 CG GLN B 60 -20.069 -5.344 7.840 1.00 0.00 C ATOM 1966 CD GLN B 60 -20.370 -5.853 9.250 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -20.613 -5.075 10.151 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.366 -7.138 9.482 1.00 0.00 N ATOM 0 H GLN B 60 -20.824 -3.124 6.753 1.00 0.00 H new ATOM 0 HA GLN B 60 -20.217 -5.380 5.087 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -22.181 -5.159 7.417 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.461 -6.637 6.808 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -19.203 -5.865 7.431 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -19.818 -4.284 7.871 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.162 -7.792 8.726 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.567 -7.488 10.419 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.261 -4.150 4.901 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.519 -4.221 4.102 1.00 0.00 C ATOM 1979 C GLU B 61 -24.218 -3.975 2.621 1.00 0.00 C ATOM 1980 O GLU B 61 -24.632 -4.726 1.760 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.500 -3.158 4.603 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.858 -3.358 3.928 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.843 -2.306 4.439 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -27.779 -1.985 5.615 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.644 -1.838 3.647 1.00 0.00 O ATOM 0 H GLU B 61 -23.215 -3.378 5.566 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.957 -5.212 4.217 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.606 -3.228 5.686 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -25.116 -2.162 4.384 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.753 -3.278 2.846 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -27.237 -4.358 4.138 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.503 -2.928 2.318 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.181 -2.629 0.892 1.00 0.00 C ATOM 1994 C TYR B 62 -22.359 -3.779 0.299 1.00 0.00 C ATOM 1995 O TYR B 62 -22.509 -4.128 -0.854 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.375 -1.322 0.805 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.300 -0.116 0.851 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.235 0.033 1.899 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.216 0.869 -0.156 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.079 1.161 1.935 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -24.061 1.992 -0.118 1.00 0.00 C ATOM 2002 CZ TYR B 62 -24.992 2.139 0.927 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.818 3.243 0.964 1.00 0.00 O ATOM 0 H TYR B 62 -23.127 -2.265 2.996 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.108 -2.518 0.330 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.663 -1.272 1.629 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.795 -1.307 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.303 -0.717 2.673 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.501 0.760 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.793 1.275 2.737 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -23.996 2.743 -0.892 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.628 3.820 0.195 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.496 -4.373 1.075 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.680 -5.497 0.548 1.00 0.00 C ATOM 2015 C VAL B 63 -21.614 -6.656 0.232 1.00 0.00 C ATOM 2016 O VAL B 63 -21.473 -7.333 -0.764 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.658 -5.926 1.602 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.973 -7.224 1.163 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.605 -4.826 1.764 1.00 0.00 C ATOM 0 H VAL B 63 -21.322 -4.128 2.050 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.147 -5.190 -0.352 1.00 0.00 H new ATOM 0 HB VAL B 63 -20.167 -6.091 2.551 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.246 -7.525 1.917 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.721 -8.008 1.046 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.464 -7.063 0.213 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.875 -5.129 2.515 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -18.100 -4.663 0.812 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -19.089 -3.902 2.081 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.572 -6.881 1.080 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.524 -7.992 0.845 1.00 0.00 C ATOM 2031 C TYR B 64 -24.288 -7.729 -0.450 1.00 0.00 C ATOM 2032 O TYR B 64 -24.489 -8.612 -1.259 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.510 -8.066 2.016 1.00 0.00 C ATOM 2034 CG TYR B 64 -25.186 -9.418 2.033 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.469 -10.557 2.449 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.531 -9.541 1.632 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -25.098 -11.817 2.465 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -27.159 -10.801 1.648 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.443 -11.940 2.065 1.00 0.00 C ATOM 2040 OH TYR B 64 -27.058 -13.175 2.081 1.00 0.00 O ATOM 0 H TYR B 64 -22.737 -6.340 1.929 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.983 -8.935 0.765 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.985 -7.900 2.957 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.257 -7.277 1.925 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.438 -10.464 2.755 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -27.081 -8.668 1.312 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.548 -12.690 2.784 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -28.190 -10.894 1.340 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.985 -13.083 1.777 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.710 -6.515 -0.645 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.465 -6.172 -1.883 1.00 0.00 C ATOM 2052 C ASP B 65 -24.582 -6.427 -3.107 1.00 0.00 C ATOM 2053 O ASP B 65 -25.052 -6.824 -4.154 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.860 -4.693 -1.831 1.00 0.00 C ATOM 2055 CG ASP B 65 -27.086 -4.516 -0.930 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -26.913 -4.508 0.278 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -28.176 -4.393 -1.463 1.00 0.00 O ATOM 0 H ASP B 65 -24.565 -5.740 0.002 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.361 -6.789 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -25.029 -4.098 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.079 -4.330 -2.835 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.306 -6.200 -2.981 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.386 -6.425 -4.130 1.00 0.00 C ATOM 2064 C LEU B 66 -22.222 -7.930 -4.365 1.00 0.00 C ATOM 2065 O LEU B 66 -22.018 -8.375 -5.477 1.00 0.00 O ATOM 2066 CB LEU B 66 -21.025 -5.793 -3.804 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.067 -4.273 -4.071 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.963 -3.578 -3.269 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.836 -3.985 -5.564 1.00 0.00 C ATOM 0 H LEU B 66 -22.858 -5.867 -2.128 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.794 -5.969 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.769 -5.980 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.246 -6.255 -4.411 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.046 -3.899 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -19.995 -2.505 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.115 -3.762 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.992 -3.971 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.869 -2.909 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.861 -4.371 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.614 -4.470 -6.153 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.317 -8.713 -3.331 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.175 -10.188 -3.496 1.00 0.00 C ATOM 2083 C GLU B 67 -23.426 -10.737 -4.177 1.00 0.00 C ATOM 2084 O GLU B 67 -23.386 -11.738 -4.864 1.00 0.00 O ATOM 2085 CB GLU B 67 -22.019 -10.843 -2.123 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.651 -10.490 -1.546 1.00 0.00 C ATOM 2087 CD GLU B 67 -20.409 -11.295 -0.268 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -21.173 -12.212 -0.016 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -19.463 -10.983 0.435 1.00 0.00 O ATOM 0 H GLU B 67 -22.487 -8.398 -2.376 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.297 -10.406 -4.104 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.808 -10.501 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -22.121 -11.925 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -19.871 -10.705 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.601 -9.423 -1.330 1.00 0.00 H new