USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 CYS SG : rot -91:sc= -0.995 USER MOD Set 1.2: A 34 CYS SG : rot -143:sc= 2.59! USER MOD Set 1.3: A 43 CYS SG : rot -140:sc= -0.607! USER MOD Set 2.1: A 8 CYS SG : rot 154:sc= 1.73 USER MOD Set 2.2: A 15 TYR OH : rot -122:sc= 2.52 USER MOD Set 2.3: A 21 CYS SG : rot 143:sc= -4.94! USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -124:sc= -0.0352 (180deg=-0.429) USER MOD Single : A 11 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.033) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= -0.54 (180deg=-0.604) USER MOD Single : A 14 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=-0.27) USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= -2! (180deg=-5.88!) USER MOD Single : A 28 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.4!) USER MOD Single : A 29 THR OG1 : rot 83:sc= 1.14 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 20:sc= 1.05 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.182 12.107 -12.865 1.00 0.00 N ATOM 2 CA ARG A 1 3.448 13.112 -12.044 1.00 0.00 C ATOM 3 C ARG A 1 2.039 12.606 -11.725 1.00 0.00 C ATOM 4 O ARG A 1 1.074 12.982 -12.359 1.00 0.00 O ATOM 5 CB ARG A 1 3.383 14.365 -12.919 1.00 0.00 C ATOM 6 CG ARG A 1 2.811 15.528 -12.105 1.00 0.00 C ATOM 7 CD ARG A 1 3.692 16.765 -12.294 1.00 0.00 C ATOM 8 NE ARG A 1 3.444 17.201 -13.696 1.00 0.00 N ATOM 9 CZ ARG A 1 4.426 17.675 -14.414 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.366 16.877 -14.842 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.467 18.946 -14.706 1.00 0.00 N ATOM 0 H1 ARG A 1 5.137 12.461 -13.075 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.253 11.213 -12.338 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.669 11.945 -13.755 1.00 0.00 H new ATOM 0 HA ARG A 1 3.939 13.306 -11.090 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.378 14.618 -13.285 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.760 14.179 -13.794 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.791 15.742 -12.424 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.765 15.259 -11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.429 17.549 -11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.744 16.529 -12.134 1.00 0.00 H new ATOM 0 HE ARG A 1 2.508 17.129 -14.095 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.333 15.883 -14.616 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.133 17.247 -15.403 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.732 19.570 -14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.234 19.316 -15.267 1.00 0.00 H new ATOM 27 N LYS A 2 1.913 11.756 -10.743 1.00 0.00 N ATOM 28 CA LYS A 2 0.566 11.225 -10.383 1.00 0.00 C ATOM 29 C LYS A 2 -0.335 12.361 -9.894 1.00 0.00 C ATOM 30 O LYS A 2 -1.543 12.306 -10.021 1.00 0.00 O ATOM 31 CB LYS A 2 0.824 10.224 -9.256 1.00 0.00 C ATOM 32 CG LYS A 2 1.217 8.872 -9.853 1.00 0.00 C ATOM 33 CD LYS A 2 0.042 8.306 -10.654 1.00 0.00 C ATOM 34 CE LYS A 2 -0.517 7.073 -9.940 1.00 0.00 C ATOM 35 NZ LYS A 2 -1.996 7.221 -10.018 1.00 0.00 N ATOM 0 H LYS A 2 2.684 11.406 -10.174 1.00 0.00 H new ATOM 0 HA LYS A 2 0.063 10.763 -11.232 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.618 10.590 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.069 10.116 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.088 8.987 -10.498 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.497 8.180 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.736 9.061 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.368 8.040 -11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.186 6.153 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.179 7.029 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.451 6.412 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.282 8.102 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.290 7.253 -11.015 1.00 0.00 H new ATOM 49 N GLY A 3 0.241 13.390 -9.335 1.00 0.00 N ATOM 50 CA GLY A 3 -0.584 14.527 -8.838 1.00 0.00 C ATOM 51 C GLY A 3 -0.016 15.027 -7.509 1.00 0.00 C ATOM 52 O GLY A 3 1.099 15.505 -7.441 1.00 0.00 O ATOM 0 H GLY A 3 1.247 13.492 -9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -0.589 15.334 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.619 14.210 -8.707 1.00 0.00 H new ATOM 56 N HIS A 4 -0.774 14.921 -6.451 1.00 0.00 N ATOM 57 CA HIS A 4 -0.275 15.391 -5.127 1.00 0.00 C ATOM 58 C HIS A 4 -1.031 14.686 -3.997 1.00 0.00 C ATOM 59 O HIS A 4 -2.063 15.145 -3.547 1.00 0.00 O ATOM 60 CB HIS A 4 -0.559 16.894 -5.107 1.00 0.00 C ATOM 61 CG HIS A 4 0.680 17.632 -4.680 1.00 0.00 C ATOM 62 ND1 HIS A 4 0.764 18.293 -3.465 1.00 0.00 N ATOM 63 CD2 HIS A 4 1.891 17.825 -5.296 1.00 0.00 C ATOM 64 CE1 HIS A 4 1.988 18.847 -3.388 1.00 0.00 C ATOM 65 NE2 HIS A 4 2.716 18.592 -4.480 1.00 0.00 N ATOM 0 H HIS A 4 -1.716 14.530 -6.446 1.00 0.00 H new ATOM 0 HA HIS A 4 0.784 15.175 -4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.872 17.229 -6.096 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.379 17.111 -4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.162 17.440 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.339 19.427 -2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 4 3.671 18.895 -4.673 1.00 0.00 H new ATOM 73 N PHE A 5 -0.527 13.574 -3.537 1.00 0.00 N ATOM 74 CA PHE A 5 -1.218 12.840 -2.437 1.00 0.00 C ATOM 75 C PHE A 5 -0.211 12.453 -1.350 1.00 0.00 C ATOM 76 O PHE A 5 0.841 13.048 -1.226 1.00 0.00 O ATOM 77 CB PHE A 5 -1.803 11.592 -3.100 1.00 0.00 C ATOM 78 CG PHE A 5 -2.481 11.977 -4.393 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.683 12.694 -4.368 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.905 11.618 -5.619 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.311 13.052 -5.567 1.00 0.00 C ATOM 82 CE2 PHE A 5 -2.533 11.977 -6.818 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.735 12.693 -6.792 1.00 0.00 C ATOM 0 H PHE A 5 0.333 13.141 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.989 13.442 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.013 10.866 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.518 11.114 -2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.126 12.971 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.978 11.065 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.239 13.604 -5.547 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.089 11.701 -7.763 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.219 12.969 -7.717 1.00 0.00 H new ATOM 93 N SER A 6 -0.525 11.464 -0.560 1.00 0.00 N ATOM 94 CA SER A 6 0.418 11.044 0.517 1.00 0.00 C ATOM 95 C SER A 6 0.444 9.519 0.639 1.00 0.00 C ATOM 96 O SER A 6 -0.570 8.860 0.518 1.00 0.00 O ATOM 97 CB SER A 6 -0.136 11.676 1.794 1.00 0.00 C ATOM 98 OG SER A 6 -0.039 13.092 1.698 1.00 0.00 O ATOM 0 H SER A 6 -1.392 10.929 -0.612 1.00 0.00 H new ATOM 0 HA SER A 6 1.441 11.360 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.175 11.380 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.421 11.320 2.661 1.00 0.00 H new ATOM 0 HG SER A 6 -0.395 13.500 2.515 1.00 0.00 H new ATOM 104 N ARG A 7 1.596 8.954 0.876 1.00 0.00 N ATOM 105 CA ARG A 7 1.688 7.471 1.006 1.00 0.00 C ATOM 106 C ARG A 7 1.268 7.035 2.411 1.00 0.00 C ATOM 107 O ARG A 7 1.172 7.839 3.318 1.00 0.00 O ATOM 108 CB ARG A 7 3.161 7.144 0.761 1.00 0.00 C ATOM 109 CG ARG A 7 3.280 6.160 -0.404 1.00 0.00 C ATOM 110 CD ARG A 7 4.666 6.287 -1.040 1.00 0.00 C ATOM 111 NE ARG A 7 5.281 4.939 -0.891 1.00 0.00 N ATOM 112 CZ ARG A 7 6.363 4.791 -0.176 1.00 0.00 C ATOM 113 NH1 ARG A 7 6.274 4.651 1.118 1.00 0.00 N ATOM 114 NH2 ARG A 7 7.532 4.784 -0.754 1.00 0.00 N ATOM 0 H ARG A 7 2.478 9.455 0.985 1.00 0.00 H new ATOM 0 HA ARG A 7 1.033 6.954 0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.714 8.056 0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.603 6.715 1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.122 5.141 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.508 6.363 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.594 6.575 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.262 7.051 -0.540 1.00 0.00 H new ATOM 0 HE ARG A 7 4.857 4.132 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.360 4.657 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.119 4.535 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.601 4.894 -1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.377 4.668 -0.194 1.00 0.00 H new ATOM 128 N CYS A 8 1.015 5.768 2.601 1.00 0.00 N ATOM 129 CA CYS A 8 0.600 5.285 3.950 1.00 0.00 C ATOM 130 C CYS A 8 1.829 4.895 4.775 1.00 0.00 C ATOM 131 O CYS A 8 2.651 4.116 4.333 1.00 0.00 O ATOM 132 CB CYS A 8 -0.272 4.059 3.682 1.00 0.00 C ATOM 133 SG CYS A 8 -1.790 4.177 4.660 1.00 0.00 S ATOM 0 H CYS A 8 1.078 5.047 1.882 1.00 0.00 H new ATOM 0 HA CYS A 8 0.067 6.050 4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.514 3.996 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.270 3.150 3.940 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.736 3.502 4.077 1.00 0.00 H new ATOM 138 N PRO A 9 1.911 5.448 5.955 1.00 0.00 N ATOM 139 CA PRO A 9 3.050 5.148 6.857 1.00 0.00 C ATOM 140 C PRO A 9 2.898 3.743 7.447 1.00 0.00 C ATOM 141 O PRO A 9 1.846 3.140 7.370 1.00 0.00 O ATOM 142 CB PRO A 9 2.937 6.212 7.944 1.00 0.00 C ATOM 143 CG PRO A 9 1.494 6.607 7.952 1.00 0.00 C ATOM 144 CD PRO A 9 0.965 6.394 6.557 1.00 0.00 C ATOM 0 HA PRO A 9 4.017 5.166 6.354 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.244 5.820 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.579 7.066 7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.935 6.008 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.382 7.649 8.251 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.047 5.990 6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.927 7.329 5.998 1.00 0.00 H new ATOM 152 N LYS A 10 3.937 3.217 8.033 1.00 0.00 N ATOM 153 CA LYS A 10 3.843 1.852 8.625 1.00 0.00 C ATOM 154 C LYS A 10 2.871 1.852 9.809 1.00 0.00 C ATOM 155 O LYS A 10 2.153 0.899 10.034 1.00 0.00 O ATOM 156 CB LYS A 10 5.262 1.523 9.091 1.00 0.00 C ATOM 157 CG LYS A 10 5.920 0.573 8.088 1.00 0.00 C ATOM 158 CD LYS A 10 7.432 0.551 8.319 1.00 0.00 C ATOM 159 CE LYS A 10 7.749 -0.282 9.563 1.00 0.00 C ATOM 160 NZ LYS A 10 7.629 -1.699 9.118 1.00 0.00 N ATOM 0 H LYS A 10 4.845 3.671 8.128 1.00 0.00 H new ATOM 0 HA LYS A 10 3.469 1.118 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.848 2.438 9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.235 1.064 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.510 -0.431 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.702 0.895 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.937 0.131 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.806 1.567 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.751 -0.069 9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.054 -0.062 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.943 -2.196 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.304 -1.726 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.556 -2.165 9.191 1.00 0.00 H new ATOM 174 N GLN A 11 2.846 2.914 10.568 1.00 0.00 N ATOM 175 CA GLN A 11 1.924 2.974 11.739 1.00 0.00 C ATOM 176 C GLN A 11 0.466 2.879 11.278 1.00 0.00 C ATOM 177 O GLN A 11 -0.433 2.691 12.073 1.00 0.00 O ATOM 178 CB GLN A 11 2.192 4.333 12.385 1.00 0.00 C ATOM 179 CG GLN A 11 2.557 4.137 13.857 1.00 0.00 C ATOM 180 CD GLN A 11 1.356 3.565 14.610 1.00 0.00 C ATOM 181 OE1 GLN A 11 0.298 4.164 14.636 1.00 0.00 O ATOM 182 NE2 GLN A 11 1.474 2.422 15.230 1.00 0.00 N ATOM 0 H GLN A 11 3.424 3.743 10.428 1.00 0.00 H new ATOM 0 HA GLN A 11 2.090 2.150 12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.003 4.842 11.863 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.310 4.968 12.300 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.409 3.463 13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.857 5.088 14.298 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.361 1.919 15.208 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.679 2.032 15.736 1.00 0.00 H new ATOM 191 N TYR A 12 0.225 3.010 10.003 1.00 0.00 N ATOM 192 CA TYR A 12 -1.177 2.928 9.501 1.00 0.00 C ATOM 193 C TYR A 12 -1.318 1.782 8.496 1.00 0.00 C ATOM 194 O TYR A 12 -2.401 1.469 8.044 1.00 0.00 O ATOM 195 CB TYR A 12 -1.434 4.274 8.824 1.00 0.00 C ATOM 196 CG TYR A 12 -2.176 5.180 9.777 1.00 0.00 C ATOM 197 CD1 TYR A 12 -3.468 4.844 10.198 1.00 0.00 C ATOM 198 CD2 TYR A 12 -1.572 6.354 10.243 1.00 0.00 C ATOM 199 CE1 TYR A 12 -4.157 5.682 11.083 1.00 0.00 C ATOM 200 CE2 TYR A 12 -2.260 7.192 11.129 1.00 0.00 C ATOM 201 CZ TYR A 12 -3.552 6.855 11.550 1.00 0.00 C ATOM 202 OH TYR A 12 -4.230 7.681 12.423 1.00 0.00 O ATOM 0 H TYR A 12 0.935 3.170 9.288 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.890 2.732 10.302 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.490 4.732 8.530 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.016 4.131 7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.934 3.938 9.840 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.575 6.613 9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.155 5.424 11.405 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.794 8.098 11.487 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.667 8.451 12.649 1.00 0.00 H new ATOM 212 N LYS A 13 -0.231 1.153 8.142 1.00 0.00 N ATOM 213 CA LYS A 13 -0.304 0.028 7.166 1.00 0.00 C ATOM 214 C LYS A 13 -0.506 -1.301 7.901 1.00 0.00 C ATOM 215 O LYS A 13 0.212 -2.257 7.684 1.00 0.00 O ATOM 216 CB LYS A 13 1.045 0.040 6.446 1.00 0.00 C ATOM 217 CG LYS A 13 0.824 0.284 4.952 1.00 0.00 C ATOM 218 CD LYS A 13 2.071 0.937 4.354 1.00 0.00 C ATOM 219 CE LYS A 13 3.257 -0.025 4.470 1.00 0.00 C ATOM 220 NZ LYS A 13 4.386 0.815 4.958 1.00 0.00 N ATOM 0 H LYS A 13 0.705 1.369 8.486 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.138 0.138 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.684 0.819 6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.559 -0.909 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.615 -0.658 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.044 0.926 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.896 1.191 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.292 1.868 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.040 -0.837 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.491 -0.481 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.207 0.210 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.640 1.512 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.100 1.311 5.826 1.00 0.00 H new ATOM 234 N HIS A 14 -1.486 -1.379 8.758 1.00 0.00 N ATOM 235 CA HIS A 14 -1.716 -2.653 9.496 1.00 0.00 C ATOM 236 C HIS A 14 -2.599 -3.571 8.659 1.00 0.00 C ATOM 237 O HIS A 14 -2.657 -4.765 8.878 1.00 0.00 O ATOM 238 CB HIS A 14 -2.431 -2.245 10.785 1.00 0.00 C ATOM 239 CG HIS A 14 -1.415 -1.826 11.811 1.00 0.00 C ATOM 240 ND1 HIS A 14 -0.523 -0.788 11.588 1.00 0.00 N ATOM 241 CD2 HIS A 14 -1.135 -2.295 13.071 1.00 0.00 C ATOM 242 CE1 HIS A 14 0.241 -0.666 12.688 1.00 0.00 C ATOM 243 NE2 HIS A 14 -0.090 -1.561 13.623 1.00 0.00 N ATOM 0 H HIS A 14 -2.133 -0.622 8.978 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.791 -3.191 9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.122 -1.426 10.586 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.024 -3.078 11.164 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.648 -3.110 13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.027 0.066 12.802 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.333 -1.680 14.544 1.00 0.00 H new ATOM 251 N TYR A 15 -3.263 -3.028 7.680 1.00 0.00 N ATOM 252 CA TYR A 15 -4.113 -3.876 6.806 1.00 0.00 C ATOM 253 C TYR A 15 -3.278 -4.372 5.623 1.00 0.00 C ATOM 254 O TYR A 15 -3.768 -5.058 4.747 1.00 0.00 O ATOM 255 CB TYR A 15 -5.249 -2.969 6.331 1.00 0.00 C ATOM 256 CG TYR A 15 -4.682 -1.693 5.754 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.923 -1.730 4.577 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.922 -0.472 6.395 1.00 0.00 C ATOM 259 CE1 TYR A 15 -3.404 -0.545 4.043 1.00 0.00 C ATOM 260 CE2 TYR A 15 -4.404 0.713 5.859 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.645 0.676 4.684 1.00 0.00 C ATOM 262 OH TYR A 15 -3.135 1.844 4.156 1.00 0.00 O ATOM 0 H TYR A 15 -3.253 -2.035 7.448 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.504 -4.752 7.322 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.847 -3.484 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.914 -2.738 7.163 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.739 -2.672 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.507 -0.444 7.303 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.818 -0.573 3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.590 1.656 6.352 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.561 2.280 4.820 1.00 0.00 H new ATOM 272 N CYS A 16 -2.013 -4.028 5.590 1.00 0.00 N ATOM 273 CA CYS A 16 -1.149 -4.481 4.462 1.00 0.00 C ATOM 274 C CYS A 16 0.326 -4.410 4.867 1.00 0.00 C ATOM 275 O CYS A 16 0.934 -3.358 4.849 1.00 0.00 O ATOM 276 CB CYS A 16 -1.440 -3.501 3.325 1.00 0.00 C ATOM 277 SG CYS A 16 -2.745 -4.175 2.268 1.00 0.00 S ATOM 0 H CYS A 16 -1.546 -3.456 6.293 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.351 -5.513 4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.747 -2.537 3.731 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.537 -3.327 2.740 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.211 -4.875 1.312 1.00 0.00 H new ATOM 282 N ILE A 17 0.907 -5.520 5.232 1.00 0.00 N ATOM 283 CA ILE A 17 2.343 -5.507 5.636 1.00 0.00 C ATOM 284 C ILE A 17 3.236 -5.314 4.406 1.00 0.00 C ATOM 285 O ILE A 17 3.835 -4.275 4.221 1.00 0.00 O ATOM 286 CB ILE A 17 2.589 -6.873 6.274 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.736 -7.004 7.538 1.00 0.00 C ATOM 288 CG2 ILE A 17 4.068 -7.004 6.642 1.00 0.00 C ATOM 289 CD1 ILE A 17 2.134 -5.917 8.538 1.00 0.00 C ATOM 0 H ILE A 17 0.452 -6.432 5.268 1.00 0.00 H new ATOM 0 HA ILE A 17 2.572 -4.693 6.323 1.00 0.00 H new ATOM 0 HB ILE A 17 2.319 -7.659 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.679 -6.913 7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.874 -7.990 7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.245 -7.978 7.097 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.677 -6.908 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.338 -6.219 7.348 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.526 -6.011 9.438 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.187 -6.029 8.798 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.973 -4.936 8.092 1.00 0.00 H new ATOM 301 N LYS A 18 3.329 -6.308 3.564 1.00 0.00 N ATOM 302 CA LYS A 18 4.185 -6.173 2.349 1.00 0.00 C ATOM 303 C LYS A 18 3.366 -5.599 1.191 1.00 0.00 C ATOM 304 O LYS A 18 3.375 -6.117 0.091 1.00 0.00 O ATOM 305 CB LYS A 18 4.648 -7.595 2.028 1.00 0.00 C ATOM 306 CG LYS A 18 3.442 -8.443 1.615 1.00 0.00 C ATOM 307 CD LYS A 18 3.835 -9.922 1.562 1.00 0.00 C ATOM 308 CE LYS A 18 4.640 -10.292 2.811 1.00 0.00 C ATOM 309 NZ LYS A 18 6.063 -10.056 2.438 1.00 0.00 N ATOM 0 H LYS A 18 2.852 -7.204 3.664 1.00 0.00 H new ATOM 0 HA LYS A 18 5.027 -5.499 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.385 -7.576 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.135 -8.035 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.627 -8.300 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.077 -8.120 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.941 -10.543 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.425 -10.119 0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.349 -9.679 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.474 -11.331 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.569 -10.964 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.106 -9.603 1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.509 -9.436 3.144 1.00 0.00 H new ATOM 323 N GLY A 19 2.658 -4.530 1.429 1.00 0.00 N ATOM 324 CA GLY A 19 1.839 -3.921 0.345 1.00 0.00 C ATOM 325 C GLY A 19 1.898 -2.397 0.453 1.00 0.00 C ATOM 326 O GLY A 19 1.760 -1.834 1.520 1.00 0.00 O ATOM 0 H GLY A 19 2.611 -4.052 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.210 -4.241 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.806 -4.261 0.421 1.00 0.00 H new ATOM 330 N ARG A 20 2.101 -1.723 -0.647 1.00 0.00 N ATOM 331 CA ARG A 20 2.164 -0.237 -0.611 1.00 0.00 C ATOM 332 C ARG A 20 0.781 0.349 -0.892 1.00 0.00 C ATOM 333 O ARG A 20 0.143 0.018 -1.871 1.00 0.00 O ATOM 334 CB ARG A 20 3.143 0.139 -1.723 1.00 0.00 C ATOM 335 CG ARG A 20 3.231 1.660 -1.822 1.00 0.00 C ATOM 336 CD ARG A 20 2.925 2.099 -3.254 1.00 0.00 C ATOM 337 NE ARG A 20 4.212 1.944 -3.986 1.00 0.00 N ATOM 338 CZ ARG A 20 4.393 2.556 -5.124 1.00 0.00 C ATOM 339 NH1 ARG A 20 3.367 2.864 -5.870 1.00 0.00 N ATOM 340 NH2 ARG A 20 5.600 2.860 -5.516 1.00 0.00 N ATOM 0 H ARG A 20 2.226 -2.140 -1.570 1.00 0.00 H new ATOM 0 HA ARG A 20 2.482 0.146 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.127 -0.281 -1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.812 -0.281 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.525 2.121 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.227 1.996 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.142 1.484 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.575 3.131 -3.285 1.00 0.00 H new ATOM 0 HE ARG A 20 4.952 1.359 -3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.424 2.626 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.509 3.342 -6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.401 2.619 -4.933 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.742 3.338 -6.406 1.00 0.00 H new ATOM 354 N CYS A 21 0.308 1.213 -0.039 1.00 0.00 N ATOM 355 CA CYS A 21 -1.039 1.810 -0.260 1.00 0.00 C ATOM 356 C CYS A 21 -0.968 3.338 -0.191 1.00 0.00 C ATOM 357 O CYS A 21 -0.204 3.903 0.566 1.00 0.00 O ATOM 358 CB CYS A 21 -1.904 1.264 0.878 1.00 0.00 C ATOM 359 SG CYS A 21 -1.025 1.450 2.450 1.00 0.00 S ATOM 0 H CYS A 21 0.794 1.531 0.800 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.442 1.558 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.854 1.798 0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.135 0.214 0.701 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.872 1.757 3.387 1.00 0.00 H new ATOM 364 N ARG A 22 -1.768 4.009 -0.973 1.00 0.00 N ATOM 365 CA ARG A 22 -1.760 5.498 -0.952 1.00 0.00 C ATOM 366 C ARG A 22 -3.090 6.009 -0.392 1.00 0.00 C ATOM 367 O ARG A 22 -4.081 5.307 -0.388 1.00 0.00 O ATOM 368 CB ARG A 22 -1.590 5.915 -2.413 1.00 0.00 C ATOM 369 CG ARG A 22 -0.355 5.226 -3.000 1.00 0.00 C ATOM 370 CD ARG A 22 0.071 5.941 -4.283 1.00 0.00 C ATOM 371 NE ARG A 22 1.478 6.365 -4.039 1.00 0.00 N ATOM 372 CZ ARG A 22 2.409 6.067 -4.902 1.00 0.00 C ATOM 373 NH1 ARG A 22 2.347 6.537 -6.118 1.00 0.00 N ATOM 374 NH2 ARG A 22 3.403 5.298 -4.550 1.00 0.00 N ATOM 0 H ARG A 22 -2.428 3.589 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.968 5.906 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.477 5.644 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.484 6.998 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.460 5.240 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.576 4.180 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.002 5.278 -5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.570 6.799 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 22 1.713 6.889 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.570 7.138 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.075 6.304 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.452 4.930 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.131 5.065 -5.225 1.00 0.00 H new ATOM 388 N PHE A 23 -3.123 7.223 0.086 1.00 0.00 N ATOM 389 CA PHE A 23 -4.395 7.764 0.648 1.00 0.00 C ATOM 390 C PHE A 23 -4.593 9.218 0.211 1.00 0.00 C ATOM 391 O PHE A 23 -3.900 10.109 0.660 1.00 0.00 O ATOM 392 CB PHE A 23 -4.224 7.678 2.164 1.00 0.00 C ATOM 393 CG PHE A 23 -5.581 7.613 2.824 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.526 8.617 2.585 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.893 6.548 3.678 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.783 8.557 3.198 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.150 6.487 4.291 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.096 7.491 4.050 1.00 0.00 C ATOM 0 H PHE A 23 -2.328 7.862 0.112 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.268 7.209 0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.639 6.796 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.673 8.545 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.285 9.439 1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.164 5.773 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.511 9.333 3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.390 5.666 4.950 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.067 7.443 4.521 1.00 0.00 H new ATOM 408 N VAL A 24 -5.535 9.466 -0.658 1.00 0.00 N ATOM 409 CA VAL A 24 -5.772 10.865 -1.115 1.00 0.00 C ATOM 410 C VAL A 24 -6.605 11.625 -0.079 1.00 0.00 C ATOM 411 O VAL A 24 -7.746 11.292 0.178 1.00 0.00 O ATOM 412 CB VAL A 24 -6.545 10.735 -2.424 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.557 12.084 -3.146 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.870 9.688 -3.315 1.00 0.00 C ATOM 0 H VAL A 24 -6.149 8.763 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.841 11.416 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.568 10.426 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.109 11.991 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.037 12.831 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.533 12.392 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.422 9.595 -4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.846 9.996 -3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.860 8.726 -2.803 1.00 0.00 H new ATOM 424 N VAL A 25 -6.040 12.644 0.513 1.00 0.00 N ATOM 425 CA VAL A 25 -6.794 13.432 1.530 1.00 0.00 C ATOM 426 C VAL A 25 -7.755 14.400 0.837 1.00 0.00 C ATOM 427 O VAL A 25 -8.958 14.278 0.951 1.00 0.00 O ATOM 428 CB VAL A 25 -5.726 14.199 2.309 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.336 14.765 3.593 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.579 13.250 2.667 1.00 0.00 C ATOM 0 H VAL A 25 -5.088 12.964 0.336 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.396 12.799 2.183 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.347 15.017 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.574 15.312 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.154 15.439 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.715 13.948 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.816 13.795 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.960 12.433 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.143 12.845 1.754 1.00 0.00 H new ATOM 440 N ALA A 26 -7.235 15.358 0.114 1.00 0.00 N ATOM 441 CA ALA A 26 -8.128 16.325 -0.591 1.00 0.00 C ATOM 442 C ALA A 26 -9.291 15.567 -1.232 1.00 0.00 C ATOM 443 O ALA A 26 -10.432 15.979 -1.163 1.00 0.00 O ATOM 444 CB ALA A 26 -7.248 16.971 -1.662 1.00 0.00 C ATOM 0 H ALA A 26 -6.235 15.512 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.555 17.071 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.834 17.697 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.407 17.475 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.875 16.202 -2.339 1.00 0.00 H new ATOM 450 N GLU A 27 -9.004 14.449 -1.837 1.00 0.00 N ATOM 451 CA GLU A 27 -10.080 13.636 -2.467 1.00 0.00 C ATOM 452 C GLU A 27 -10.176 12.291 -1.746 1.00 0.00 C ATOM 453 O GLU A 27 -9.519 11.337 -2.111 1.00 0.00 O ATOM 454 CB GLU A 27 -9.639 13.443 -3.920 1.00 0.00 C ATOM 455 CG GLU A 27 -10.538 14.269 -4.840 1.00 0.00 C ATOM 456 CD GLU A 27 -10.390 15.754 -4.501 1.00 0.00 C ATOM 457 OE1 GLU A 27 -11.083 16.208 -3.604 1.00 0.00 O ATOM 458 OE2 GLU A 27 -9.587 16.411 -5.143 1.00 0.00 O ATOM 0 H GLU A 27 -8.064 14.061 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.060 14.111 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.600 13.749 -4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.694 12.389 -4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.269 14.094 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.577 13.960 -4.723 1.00 0.00 H new ATOM 465 N GLN A 28 -10.973 12.222 -0.710 1.00 0.00 N ATOM 466 CA GLN A 28 -11.110 10.952 0.067 1.00 0.00 C ATOM 467 C GLN A 28 -11.012 9.729 -0.848 1.00 0.00 C ATOM 468 O GLN A 28 -11.995 9.267 -1.393 1.00 0.00 O ATOM 469 CB GLN A 28 -12.497 11.029 0.707 1.00 0.00 C ATOM 470 CG GLN A 28 -12.357 11.390 2.187 1.00 0.00 C ATOM 471 CD GLN A 28 -13.390 12.458 2.552 1.00 0.00 C ATOM 472 OE1 GLN A 28 -14.406 12.587 1.897 1.00 0.00 O ATOM 473 NE2 GLN A 28 -13.173 13.234 3.579 1.00 0.00 N ATOM 0 H GLN A 28 -11.539 12.997 -0.366 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.316 10.846 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.104 11.776 0.195 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.011 10.074 0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.502 10.503 2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.351 11.758 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.321 13.126 4.129 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.856 13.948 3.832 1.00 0.00 H new ATOM 482 N THR A 29 -9.830 9.199 -1.017 1.00 0.00 N ATOM 483 CA THR A 29 -9.668 8.001 -1.893 1.00 0.00 C ATOM 484 C THR A 29 -8.553 7.100 -1.355 1.00 0.00 C ATOM 485 O THR A 29 -7.432 7.151 -1.823 1.00 0.00 O ATOM 486 CB THR A 29 -9.297 8.556 -3.269 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.337 9.406 -3.734 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.103 7.400 -4.253 1.00 0.00 C ATOM 0 H THR A 29 -8.971 9.543 -0.588 1.00 0.00 H new ATOM 0 HA THR A 29 -10.573 7.395 -1.933 1.00 0.00 H new ATOM 0 HB THR A 29 -8.370 9.125 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.229 10.298 -3.344 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.839 7.797 -5.233 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.304 6.750 -3.897 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.028 6.829 -4.330 1.00 0.00 H new ATOM 496 N PRO A 30 -8.904 6.302 -0.384 1.00 0.00 N ATOM 497 CA PRO A 30 -7.927 5.373 0.232 1.00 0.00 C ATOM 498 C PRO A 30 -7.730 4.138 -0.652 1.00 0.00 C ATOM 499 O PRO A 30 -8.590 3.285 -0.743 1.00 0.00 O ATOM 500 CB PRO A 30 -8.586 4.991 1.553 1.00 0.00 C ATOM 501 CG PRO A 30 -10.056 5.184 1.338 1.00 0.00 C ATOM 502 CD PRO A 30 -10.231 6.196 0.230 1.00 0.00 C ATOM 0 HA PRO A 30 -6.939 5.815 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.361 3.958 1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.223 5.617 2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.530 4.240 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.533 5.533 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.978 5.868 -0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.566 7.157 0.620 1.00 0.00 H new ATOM 510 N SER A 31 -6.602 4.032 -1.300 1.00 0.00 N ATOM 511 CA SER A 31 -6.351 2.849 -2.172 1.00 0.00 C ATOM 512 C SER A 31 -5.202 2.011 -1.605 1.00 0.00 C ATOM 513 O SER A 31 -4.188 2.534 -1.189 1.00 0.00 O ATOM 514 CB SER A 31 -5.968 3.432 -3.531 1.00 0.00 C ATOM 515 OG SER A 31 -6.638 2.713 -4.557 1.00 0.00 O ATOM 0 H SER A 31 -5.844 4.713 -1.263 1.00 0.00 H new ATOM 0 HA SER A 31 -7.220 2.194 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.237 4.487 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.889 3.372 -3.674 1.00 0.00 H new ATOM 0 HG SER A 31 -6.395 3.086 -5.430 1.00 0.00 H new ATOM 521 N CYS A 32 -5.352 0.715 -1.582 1.00 0.00 N ATOM 522 CA CYS A 32 -4.265 -0.150 -1.039 1.00 0.00 C ATOM 523 C CYS A 32 -3.774 -1.125 -2.113 1.00 0.00 C ATOM 524 O CYS A 32 -4.553 -1.813 -2.745 1.00 0.00 O ATOM 525 CB CYS A 32 -4.905 -0.907 0.125 1.00 0.00 C ATOM 526 SG CYS A 32 -6.128 -2.079 -0.516 1.00 0.00 S ATOM 0 H CYS A 32 -6.178 0.218 -1.915 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.398 0.429 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.140 -1.437 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.382 -0.206 0.810 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.895 -2.304 -1.775 1.00 0.00 H new ATOM 531 N VAL A 33 -2.487 -1.191 -2.324 1.00 0.00 N ATOM 532 CA VAL A 33 -1.946 -2.122 -3.356 1.00 0.00 C ATOM 533 C VAL A 33 -0.876 -3.026 -2.739 1.00 0.00 C ATOM 534 O VAL A 33 0.156 -2.569 -2.288 1.00 0.00 O ATOM 535 CB VAL A 33 -1.335 -1.217 -4.425 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.434 -2.045 -5.343 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.455 -0.580 -5.251 1.00 0.00 C ATOM 0 H VAL A 33 -1.787 -0.641 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.715 -2.775 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.744 -0.436 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.001 -1.399 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.363 -2.501 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.023 -2.826 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.022 0.066 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.044 -1.362 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.098 0.010 -4.598 1.00 0.00 H new ATOM 547 N CYS A 34 -1.117 -4.308 -2.710 1.00 0.00 N ATOM 548 CA CYS A 34 -0.119 -5.245 -2.118 1.00 0.00 C ATOM 549 C CYS A 34 0.866 -5.715 -3.189 1.00 0.00 C ATOM 550 O CYS A 34 0.532 -5.806 -4.354 1.00 0.00 O ATOM 551 CB CYS A 34 -0.945 -6.423 -1.594 1.00 0.00 C ATOM 552 SG CYS A 34 -2.370 -5.803 -0.664 1.00 0.00 S ATOM 0 H CYS A 34 -1.963 -4.748 -3.071 1.00 0.00 H new ATOM 0 HA CYS A 34 0.470 -4.777 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.282 -7.042 -2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.329 -7.056 -0.955 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.597 -6.581 0.353 1.00 0.00 H new ATOM 557 N ASP A 35 2.077 -6.017 -2.807 1.00 0.00 N ATOM 558 CA ASP A 35 3.076 -6.482 -3.810 1.00 0.00 C ATOM 559 C ASP A 35 2.447 -7.530 -4.732 1.00 0.00 C ATOM 560 O ASP A 35 1.931 -8.534 -4.283 1.00 0.00 O ATOM 561 CB ASP A 35 4.208 -7.100 -2.989 1.00 0.00 C ATOM 562 CG ASP A 35 5.203 -6.011 -2.586 1.00 0.00 C ATOM 563 OD1 ASP A 35 4.856 -4.847 -2.699 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.297 -6.360 -2.172 1.00 0.00 O ATOM 0 H ASP A 35 2.417 -5.962 -1.847 1.00 0.00 H new ATOM 0 HA ASP A 35 3.432 -5.671 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.804 -7.584 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.713 -7.871 -3.570 1.00 0.00 H new ATOM 569 N GLU A 36 2.483 -7.306 -6.016 1.00 0.00 N ATOM 570 CA GLU A 36 1.887 -8.293 -6.960 1.00 0.00 C ATOM 571 C GLU A 36 2.433 -9.694 -6.676 1.00 0.00 C ATOM 572 O GLU A 36 1.721 -10.676 -6.747 1.00 0.00 O ATOM 573 CB GLU A 36 2.316 -7.821 -8.349 1.00 0.00 C ATOM 574 CG GLU A 36 3.808 -8.101 -8.543 1.00 0.00 C ATOM 575 CD GLU A 36 4.276 -7.474 -9.858 1.00 0.00 C ATOM 576 OE1 GLU A 36 3.429 -7.136 -10.666 1.00 0.00 O ATOM 577 OE2 GLU A 36 5.477 -7.343 -10.033 1.00 0.00 O ATOM 0 H GLU A 36 2.899 -6.483 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 36 0.803 -8.351 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.736 -8.335 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.117 -6.755 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.378 -7.691 -7.709 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.989 -9.176 -8.555 1.00 0.00 H new ATOM 584 N GLY A 37 3.694 -9.797 -6.354 1.00 0.00 N ATOM 585 CA GLY A 37 4.285 -11.134 -6.066 1.00 0.00 C ATOM 586 C GLY A 37 4.148 -11.445 -4.575 1.00 0.00 C ATOM 587 O GLY A 37 5.030 -12.020 -3.967 1.00 0.00 O ATOM 0 H GLY A 37 4.341 -9.012 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.781 -11.900 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.336 -11.148 -6.356 1.00 0.00 H new ATOM 591 N TYR A 38 3.050 -11.070 -3.978 1.00 0.00 N ATOM 592 CA TYR A 38 2.861 -11.345 -2.524 1.00 0.00 C ATOM 593 C TYR A 38 1.781 -12.418 -2.320 1.00 0.00 C ATOM 594 O TYR A 38 1.116 -12.828 -3.250 1.00 0.00 O ATOM 595 CB TYR A 38 2.447 -9.994 -1.914 1.00 0.00 C ATOM 596 CG TYR A 38 0.938 -9.867 -1.850 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.167 -9.984 -3.014 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.312 -9.632 -0.620 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.225 -9.867 -2.947 1.00 0.00 C ATOM 600 CE2 TYR A 38 -1.082 -9.516 -0.553 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.850 -9.632 -1.716 1.00 0.00 C ATOM 602 OH TYR A 38 -3.224 -9.517 -1.651 1.00 0.00 O ATOM 0 H TYR A 38 2.276 -10.586 -4.433 1.00 0.00 H new ATOM 0 HA TYR A 38 3.762 -11.733 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.866 -9.899 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.859 -9.180 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.648 -10.165 -3.964 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.905 -9.540 0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.818 -9.958 -3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.564 -9.337 0.397 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.495 -9.356 -0.723 1.00 0.00 H new ATOM 612 N ILE A 39 1.604 -12.870 -1.109 1.00 0.00 N ATOM 613 CA ILE A 39 0.569 -13.911 -0.844 1.00 0.00 C ATOM 614 C ILE A 39 -0.069 -13.686 0.530 1.00 0.00 C ATOM 615 O ILE A 39 0.594 -13.322 1.481 1.00 0.00 O ATOM 616 CB ILE A 39 1.323 -15.240 -0.870 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.871 -15.489 -2.278 1.00 0.00 C ATOM 618 CG2 ILE A 39 0.370 -16.374 -0.489 1.00 0.00 C ATOM 619 CD1 ILE A 39 0.708 -15.691 -3.250 1.00 0.00 C ATOM 0 H ILE A 39 2.131 -12.564 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.236 -13.885 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 39 2.148 -15.203 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.482 -14.645 -2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.516 -16.368 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.907 -17.322 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.022 -16.198 0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.455 -16.410 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.098 -15.868 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.115 -16.549 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.081 -14.800 -3.257 1.00 0.00 H new ATOM 631 N GLY A 40 -1.351 -13.900 0.638 1.00 0.00 N ATOM 632 CA GLY A 40 -2.032 -13.699 1.949 1.00 0.00 C ATOM 633 C GLY A 40 -2.965 -12.492 1.862 1.00 0.00 C ATOM 634 O GLY A 40 -2.686 -11.526 1.178 1.00 0.00 O ATOM 0 H GLY A 40 -1.957 -14.205 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.599 -14.591 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.292 -13.544 2.734 1.00 0.00 H new ATOM 638 N ALA A 41 -4.073 -12.535 2.551 1.00 0.00 N ATOM 639 CA ALA A 41 -5.024 -11.388 2.509 1.00 0.00 C ATOM 640 C ALA A 41 -4.412 -10.167 3.202 1.00 0.00 C ATOM 641 O ALA A 41 -4.579 -9.045 2.765 1.00 0.00 O ATOM 642 CB ALA A 41 -6.262 -11.871 3.266 1.00 0.00 C ATOM 0 H ALA A 41 -4.361 -13.315 3.141 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.263 -11.087 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.012 -11.080 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.672 -12.751 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.986 -12.127 4.289 1.00 0.00 H new ATOM 648 N ARG A 42 -3.705 -10.376 4.278 1.00 0.00 N ATOM 649 CA ARG A 42 -3.083 -9.227 4.996 1.00 0.00 C ATOM 650 C ARG A 42 -1.682 -8.955 4.442 1.00 0.00 C ATOM 651 O ARG A 42 -0.965 -8.103 4.930 1.00 0.00 O ATOM 652 CB ARG A 42 -3.003 -9.668 6.456 1.00 0.00 C ATOM 653 CG ARG A 42 -4.382 -10.133 6.927 1.00 0.00 C ATOM 654 CD ARG A 42 -4.581 -9.736 8.391 1.00 0.00 C ATOM 655 NE ARG A 42 -4.571 -11.021 9.141 1.00 0.00 N ATOM 656 CZ ARG A 42 -5.686 -11.665 9.347 1.00 0.00 C ATOM 657 NH1 ARG A 42 -6.256 -12.312 8.367 1.00 0.00 N ATOM 658 NH2 ARG A 42 -6.233 -11.662 10.531 1.00 0.00 N ATOM 0 H ARG A 42 -3.531 -11.292 4.691 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.657 -8.308 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.279 -10.476 6.563 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.654 -8.843 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.160 -9.685 6.309 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.470 -11.214 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.786 -9.073 8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.522 -9.204 8.532 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.692 -11.398 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.829 -12.314 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.128 -12.816 8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.789 -11.156 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.105 -12.166 10.691 1.00 0.00 H new ATOM 672 N CYS A 43 -1.289 -9.677 3.429 1.00 0.00 N ATOM 673 CA CYS A 43 0.066 -9.463 2.843 1.00 0.00 C ATOM 674 C CYS A 43 1.135 -9.895 3.850 1.00 0.00 C ATOM 675 O CYS A 43 2.050 -9.158 4.155 1.00 0.00 O ATOM 676 CB CYS A 43 0.164 -7.956 2.568 1.00 0.00 C ATOM 677 SG CYS A 43 -1.407 -7.337 1.909 1.00 0.00 S ATOM 0 H CYS A 43 -1.846 -10.405 2.982 1.00 0.00 H new ATOM 0 HA CYS A 43 0.219 -10.044 1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.415 -7.427 3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.967 -7.760 1.858 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.172 -6.467 0.972 1.00 0.00 H new ATOM 682 N GLU A 44 1.019 -11.086 4.375 1.00 0.00 N ATOM 683 CA GLU A 44 2.021 -11.565 5.370 1.00 0.00 C ATOM 684 C GLU A 44 3.051 -12.480 4.700 1.00 0.00 C ATOM 685 O GLU A 44 4.195 -12.541 5.105 1.00 0.00 O ATOM 686 CB GLU A 44 1.204 -12.345 6.400 1.00 0.00 C ATOM 687 CG GLU A 44 2.131 -12.871 7.498 1.00 0.00 C ATOM 688 CD GLU A 44 1.293 -13.367 8.677 1.00 0.00 C ATOM 689 OE1 GLU A 44 0.142 -13.707 8.461 1.00 0.00 O ATOM 690 OE2 GLU A 44 1.817 -13.399 9.779 1.00 0.00 O ATOM 0 H GLU A 44 0.274 -11.747 4.157 1.00 0.00 H new ATOM 0 HA GLU A 44 2.579 -10.744 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.438 -11.702 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.688 -13.175 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.749 -13.681 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.809 -12.083 7.826 1.00 0.00 H new ATOM 697 N ARG A 45 2.656 -13.196 3.683 1.00 0.00 N ATOM 698 CA ARG A 45 3.618 -14.108 2.998 1.00 0.00 C ATOM 699 C ARG A 45 4.042 -13.521 1.650 1.00 0.00 C ATOM 700 O ARG A 45 3.529 -12.512 1.212 1.00 0.00 O ATOM 701 CB ARG A 45 2.849 -15.414 2.797 1.00 0.00 C ATOM 702 CG ARG A 45 2.868 -16.223 4.094 1.00 0.00 C ATOM 703 CD ARG A 45 1.843 -17.355 4.005 1.00 0.00 C ATOM 704 NE ARG A 45 1.743 -17.893 5.390 1.00 0.00 N ATOM 705 CZ ARG A 45 0.949 -18.897 5.644 1.00 0.00 C ATOM 706 NH1 ARG A 45 1.242 -20.089 5.202 1.00 0.00 N ATOM 707 NH2 ARG A 45 -0.139 -18.708 6.340 1.00 0.00 N ATOM 0 H ARG A 45 1.712 -13.190 3.297 1.00 0.00 H new ATOM 0 HA ARG A 45 4.529 -14.255 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.821 -15.201 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.298 -15.992 1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.864 -16.632 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.639 -15.577 4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.879 -16.988 3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.165 -18.125 3.304 1.00 0.00 H new ATOM 0 HE ARG A 45 2.295 -17.477 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.092 -20.236 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.621 -20.873 5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.368 -17.776 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.760 -19.492 6.539 1.00 0.00 H new ATOM 721 N VAL A 46 4.978 -14.146 0.989 1.00 0.00 N ATOM 722 CA VAL A 46 5.434 -13.623 -0.332 1.00 0.00 C ATOM 723 C VAL A 46 5.827 -14.780 -1.252 1.00 0.00 C ATOM 724 O VAL A 46 6.326 -15.796 -0.811 1.00 0.00 O ATOM 725 CB VAL A 46 6.650 -12.754 -0.015 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.672 -13.574 0.773 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.285 -12.272 -1.321 1.00 0.00 C ATOM 0 H VAL A 46 5.447 -14.995 1.305 1.00 0.00 H new ATOM 0 HA VAL A 46 4.654 -13.061 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 46 6.337 -11.895 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.539 -12.954 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.221 -13.920 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.985 -14.433 0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.153 -11.652 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.597 -13.132 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.558 -11.688 -1.885 1.00 0.00 H new ATOM 737 N ASP A 47 5.607 -14.633 -2.530 1.00 0.00 N ATOM 738 CA ASP A 47 5.971 -15.723 -3.479 1.00 0.00 C ATOM 739 C ASP A 47 7.217 -15.331 -4.278 1.00 0.00 C ATOM 740 O ASP A 47 7.326 -15.614 -5.455 1.00 0.00 O ATOM 741 CB ASP A 47 4.761 -15.863 -4.404 1.00 0.00 C ATOM 742 CG ASP A 47 4.372 -17.338 -4.514 1.00 0.00 C ATOM 743 OD1 ASP A 47 4.976 -18.032 -5.315 1.00 0.00 O ATOM 744 OD2 ASP A 47 3.476 -17.749 -3.794 1.00 0.00 O ATOM 0 H ASP A 47 5.191 -13.806 -2.958 1.00 0.00 H new ATOM 0 HA ASP A 47 6.202 -16.658 -2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.924 -15.283 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.996 -15.463 -5.390 1.00 0.00 H new ATOM 749 N LEU A 48 8.156 -14.681 -3.647 1.00 0.00 N ATOM 750 CA LEU A 48 9.393 -14.270 -4.371 1.00 0.00 C ATOM 751 C LEU A 48 10.558 -15.186 -3.992 1.00 0.00 C ATOM 752 O LEU A 48 10.835 -15.409 -2.831 1.00 0.00 O ATOM 753 CB LEU A 48 9.666 -12.838 -3.906 1.00 0.00 C ATOM 754 CG LEU A 48 10.116 -11.992 -5.097 1.00 0.00 C ATOM 755 CD1 LEU A 48 8.995 -11.028 -5.493 1.00 0.00 C ATOM 756 CD2 LEU A 48 11.361 -11.191 -4.709 1.00 0.00 C ATOM 0 H LEU A 48 8.121 -14.417 -2.662 1.00 0.00 H new ATOM 0 HA LEU A 48 9.278 -14.334 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.767 -12.411 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.435 -12.836 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 48 10.348 -12.644 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.317 -10.425 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.106 -11.596 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.763 -10.375 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.684 -10.587 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.127 -10.539 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.161 -11.876 -4.426 1.00 0.00 H new ATOM 768 N PHE A 49 11.246 -15.719 -4.965 1.00 0.00 N ATOM 769 CA PHE A 49 12.394 -16.620 -4.661 1.00 0.00 C ATOM 770 C PHE A 49 13.628 -15.792 -4.286 1.00 0.00 C ATOM 771 O PHE A 49 14.322 -16.091 -3.335 1.00 0.00 O ATOM 772 CB PHE A 49 12.642 -17.397 -5.953 1.00 0.00 C ATOM 773 CG PHE A 49 11.395 -18.159 -6.331 1.00 0.00 C ATOM 774 CD1 PHE A 49 10.418 -17.552 -7.131 1.00 0.00 C ATOM 775 CD2 PHE A 49 11.214 -19.473 -5.882 1.00 0.00 C ATOM 776 CE1 PHE A 49 9.262 -18.259 -7.481 1.00 0.00 C ATOM 777 CE2 PHE A 49 10.057 -20.179 -6.232 1.00 0.00 C ATOM 778 CZ PHE A 49 9.081 -19.572 -7.032 1.00 0.00 C ATOM 0 H PHE A 49 11.063 -15.569 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 49 12.188 -17.284 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.919 -16.712 -6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 49 13.476 -18.086 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.557 -16.539 -7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.967 -19.942 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.509 -17.791 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.917 -21.192 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.189 -20.117 -7.302 1.00 0.00 H new ATOM 788 N TYR A 50 13.903 -14.754 -5.027 1.00 0.00 N ATOM 789 CA TYR A 50 15.090 -13.908 -4.713 1.00 0.00 C ATOM 790 C TYR A 50 14.731 -12.868 -3.647 1.00 0.00 C ATOM 791 O TYR A 50 14.408 -11.752 -4.021 1.00 0.00 O ATOM 792 CB TYR A 50 15.448 -13.221 -6.031 1.00 0.00 C ATOM 793 CG TYR A 50 16.171 -14.196 -6.929 1.00 0.00 C ATOM 794 CD1 TYR A 50 17.547 -14.401 -6.775 1.00 0.00 C ATOM 795 CD2 TYR A 50 15.466 -14.893 -7.918 1.00 0.00 C ATOM 796 CE1 TYR A 50 18.218 -15.305 -7.608 1.00 0.00 C ATOM 797 CE2 TYR A 50 16.136 -15.795 -8.752 1.00 0.00 C ATOM 798 CZ TYR A 50 17.512 -16.001 -8.597 1.00 0.00 C ATOM 799 OH TYR A 50 18.173 -16.890 -9.419 1.00 0.00 O ATOM 800 OXT TYR A 50 14.782 -13.206 -2.476 1.00 0.00 O ATOM 0 H TYR A 50 13.358 -14.455 -5.836 1.00 0.00 H new ATOM 0 HA TYR A 50 15.921 -14.493 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 50 14.544 -12.860 -6.522 1.00 0.00 H new ATOM 0 HB3 TYR A 50 16.077 -12.351 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 50 18.091 -13.862 -6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 50 14.404 -14.734 -8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 50 19.279 -15.465 -7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.592 -16.332 -9.515 1.00 0.00 H new ATOM 0 HH TYR A 50 17.537 -17.288 -10.049 1.00 0.00 H new TER 810 TYR A 50