USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 591 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 LYS NZ :NH3+ -175:sc= 1.78 (180deg=0.376) USER MOD Set 1.2: A 37 TYR OH : rot -155:sc= 1.77 USER MOD Single : A 2 SER OG : rot 158:sc= 1.38 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 4 MET CE :methyl -165:sc= -0.0551 (180deg=-0.365) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00534 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.14) USER MOD Single : A 10 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.19) USER MOD Single : A 11 TYR OH : rot 19:sc= 0.0929 USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0242 (180deg=-0.265) USER MOD Single : A 17 GLN : amide:sc= -0.607 K(o=-0.61,f=0) USER MOD Single : A 21 SER OG : rot -81:sc= 1.14 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 1.27 (180deg=0.835) USER MOD Single : A 34 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.236 (180deg=-0.374) USER MOD Single : A 46 MET CE :methyl -123:sc=-0.00501 (180deg=-1.81) USER MOD Single : A 48 MET CE :methyl 156:sc= -1.62 (180deg=-2.39) USER MOD Single : A 50 SER OG : rot -110:sc= 0.976 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.663 K(o=-0.66,f=-0.083) USER MOD Single : A 61 MET CE :methyl 169:sc= 0 (180deg=-0.165) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.3) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0.888) USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.16) USER MOD Single : B 12 TYR OH : rot -133:sc= 2 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -17.207 3.837 -5.336 1.00 10.00 N ATOM 9 CA SER A 2 -16.646 4.394 -4.119 1.00 10.00 C ATOM 10 C SER A 2 -16.658 5.915 -4.172 1.00 10.00 C ATOM 11 O SER A 2 -16.364 6.514 -5.210 1.00 10.00 O ATOM 12 CB SER A 2 -15.215 3.885 -3.915 1.00 10.00 C ATOM 13 OG SER A 2 -14.625 4.443 -2.749 1.00 10.00 O ATOM 0 HA SER A 2 -17.259 4.072 -3.277 1.00 10.00 H new ATOM 0 HB2 SER A 2 -15.222 2.798 -3.836 1.00 10.00 H new ATOM 0 HB3 SER A 2 -14.610 4.137 -4.786 1.00 10.00 H new ATOM 0 HG SER A 2 -13.894 3.866 -2.444 1.00 10.00 H new ATOM 19 N HIS A 3 -17.004 6.531 -3.055 1.00 10.00 N ATOM 20 CA HIS A 3 -17.049 7.982 -2.960 1.00 10.00 C ATOM 21 C HIS A 3 -15.750 8.510 -2.368 1.00 10.00 C ATOM 22 O HIS A 3 -15.601 9.707 -2.131 1.00 10.00 O ATOM 23 CB HIS A 3 -18.234 8.431 -2.100 1.00 10.00 C ATOM 24 CG HIS A 3 -19.559 8.330 -2.791 1.00 10.00 C ATOM 25 ND1 HIS A 3 -20.293 9.453 -3.096 1.00 10.00 N ATOM 26 CD2 HIS A 3 -20.239 7.231 -3.199 1.00 10.00 C ATOM 27 CE1 HIS A 3 -21.394 9.017 -3.682 1.00 10.00 C ATOM 28 NE2 HIS A 3 -21.403 7.682 -3.765 1.00 10.00 N ATOM 0 H HIS A 3 -17.260 6.046 -2.195 1.00 10.00 H new ATOM 0 HA HIS A 3 -17.174 8.387 -3.964 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -18.261 7.827 -1.193 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -18.075 9.464 -1.790 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -19.925 6.202 -3.098 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -22.185 9.656 -4.047 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -22.139 7.106 -4.174 1.00 10.00 H new ATOM 36 N MET A 4 -14.811 7.602 -2.133 1.00 10.00 N ATOM 37 CA MET A 4 -13.521 7.963 -1.563 1.00 10.00 C ATOM 38 C MET A 4 -12.433 7.927 -2.629 1.00 10.00 C ATOM 39 O MET A 4 -12.714 7.698 -3.807 1.00 10.00 O ATOM 40 CB MET A 4 -13.160 7.018 -0.414 1.00 10.00 C ATOM 41 CG MET A 4 -14.095 7.124 0.784 1.00 10.00 C ATOM 42 SD MET A 4 -14.140 8.783 1.499 1.00 10.00 S ATOM 43 CE MET A 4 -12.449 8.955 2.069 1.00 10.00 C ATOM 0 H MET A 4 -14.920 6.607 -2.329 1.00 10.00 H new ATOM 0 HA MET A 4 -13.594 8.979 -1.174 1.00 10.00 H new ATOM 0 HB2 MET A 4 -13.171 5.992 -0.782 1.00 10.00 H new ATOM 0 HB3 MET A 4 -12.141 7.229 -0.088 1.00 10.00 H new ATOM 0 HG2 MET A 4 -15.102 6.838 0.479 1.00 10.00 H new ATOM 0 HG3 MET A 4 -13.780 6.413 1.548 1.00 10.00 H new ATOM 0 HE1 MET A 4 -12.381 9.796 2.759 1.00 10.00 H new ATOM 0 HE2 MET A 4 -12.142 8.042 2.579 1.00 10.00 H new ATOM 0 HE3 MET A 4 -11.794 9.132 1.216 1.00 10.00 H new ATOM 53 N ALA A 5 -11.196 8.169 -2.216 1.00 10.00 N ATOM 54 CA ALA A 5 -10.070 8.166 -3.135 1.00 10.00 C ATOM 55 C ALA A 5 -9.380 6.807 -3.163 1.00 10.00 C ATOM 56 O ALA A 5 -9.351 6.086 -2.161 1.00 10.00 O ATOM 57 CB ALA A 5 -9.076 9.253 -2.756 1.00 10.00 C ATOM 0 H ALA A 5 -10.948 8.370 -1.247 1.00 10.00 H new ATOM 0 HA ALA A 5 -10.454 8.368 -4.135 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -8.238 9.239 -3.453 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -9.567 10.225 -2.798 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -8.710 9.075 -1.745 1.00 10.00 H new ATOM 63 N THR A 6 -8.829 6.461 -4.314 1.00 10.00 N ATOM 64 CA THR A 6 -8.136 5.197 -4.482 1.00 10.00 C ATOM 65 C THR A 6 -6.629 5.423 -4.573 1.00 10.00 C ATOM 66 O THR A 6 -6.169 6.336 -5.267 1.00 10.00 O ATOM 67 CB THR A 6 -8.628 4.468 -5.744 1.00 10.00 C ATOM 68 OG1 THR A 6 -9.494 5.329 -6.499 1.00 10.00 O ATOM 69 CG2 THR A 6 -9.367 3.192 -5.378 1.00 10.00 C ATOM 0 H THR A 6 -8.849 7.043 -5.151 1.00 10.00 H new ATOM 0 HA THR A 6 -8.352 4.577 -3.612 1.00 10.00 H new ATOM 0 HB THR A 6 -7.760 4.204 -6.348 1.00 10.00 H new ATOM 0 HG1 THR A 6 -9.803 4.860 -7.302 1.00 10.00 H new ATOM 0 HG21 THR A 6 -9.705 2.694 -6.287 1.00 10.00 H new ATOM 0 HG22 THR A 6 -8.699 2.529 -4.828 1.00 10.00 H new ATOM 0 HG23 THR A 6 -10.228 3.436 -4.756 1.00 10.00 H new ATOM 77 N VAL A 7 -5.861 4.604 -3.864 1.00 10.00 N ATOM 78 CA VAL A 7 -4.412 4.725 -3.868 1.00 10.00 C ATOM 79 C VAL A 7 -3.797 3.634 -4.738 1.00 10.00 C ATOM 80 O VAL A 7 -4.156 2.462 -4.625 1.00 10.00 O ATOM 81 CB VAL A 7 -3.831 4.634 -2.438 1.00 10.00 C ATOM 82 CG1 VAL A 7 -2.412 5.184 -2.395 1.00 10.00 C ATOM 83 CG2 VAL A 7 -4.717 5.369 -1.440 1.00 10.00 C ATOM 0 H VAL A 7 -6.220 3.849 -3.279 1.00 10.00 H new ATOM 0 HA VAL A 7 -4.164 5.705 -4.276 1.00 10.00 H new ATOM 0 HB VAL A 7 -3.802 3.581 -2.156 1.00 10.00 H new ATOM 0 HG11 VAL A 7 -2.024 5.110 -1.379 1.00 10.00 H new ATOM 0 HG12 VAL A 7 -1.778 4.608 -3.069 1.00 10.00 H new ATOM 0 HG13 VAL A 7 -2.417 6.229 -2.706 1.00 10.00 H new ATOM 0 HG21 VAL A 7 -4.285 5.289 -0.442 1.00 10.00 H new ATOM 0 HG22 VAL A 7 -4.788 6.420 -1.722 1.00 10.00 H new ATOM 0 HG23 VAL A 7 -5.712 4.925 -1.441 1.00 10.00 H new ATOM 93 N LYS A 8 -2.890 4.027 -5.619 1.00 10.00 N ATOM 94 CA LYS A 8 -2.233 3.081 -6.506 1.00 10.00 C ATOM 95 C LYS A 8 -0.862 2.697 -5.969 1.00 10.00 C ATOM 96 O LYS A 8 -0.017 3.553 -5.708 1.00 10.00 O ATOM 97 CB LYS A 8 -2.096 3.664 -7.909 1.00 10.00 C ATOM 98 CG LYS A 8 -3.354 3.538 -8.752 1.00 10.00 C ATOM 99 CD LYS A 8 -3.060 3.829 -10.214 1.00 10.00 C ATOM 100 CE LYS A 8 -4.241 3.496 -11.109 1.00 10.00 C ATOM 101 NZ LYS A 8 -3.866 3.543 -12.549 1.00 10.00 N ATOM 0 H LYS A 8 -2.592 4.995 -5.738 1.00 10.00 H new ATOM 0 HA LYS A 8 -2.852 2.185 -6.556 1.00 10.00 H new ATOM 0 HB2 LYS A 8 -1.827 4.717 -7.830 1.00 10.00 H new ATOM 0 HB3 LYS A 8 -1.275 3.163 -8.422 1.00 10.00 H new ATOM 0 HG2 LYS A 8 -3.764 2.533 -8.653 1.00 10.00 H new ATOM 0 HG3 LYS A 8 -4.113 4.229 -8.385 1.00 10.00 H new ATOM 0 HD2 LYS A 8 -2.803 4.882 -10.330 1.00 10.00 H new ATOM 0 HD3 LYS A 8 -2.191 3.252 -10.531 1.00 10.00 H new ATOM 0 HE2 LYS A 8 -4.617 2.503 -10.862 1.00 10.00 H new ATOM 0 HE3 LYS A 8 -5.052 4.200 -10.920 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 -4.653 3.181 -13.125 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 -3.660 4.525 -12.822 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 -3.022 2.956 -12.707 1.00 10.00 H new ATOM 115 N PHE A 9 -0.651 1.404 -5.813 1.00 10.00 N ATOM 116 CA PHE A 9 0.605 0.883 -5.306 1.00 10.00 C ATOM 117 C PHE A 9 1.285 0.023 -6.356 1.00 10.00 C ATOM 118 O PHE A 9 0.619 -0.643 -7.147 1.00 10.00 O ATOM 119 CB PHE A 9 0.366 0.044 -4.052 1.00 10.00 C ATOM 120 CG PHE A 9 -0.262 0.801 -2.916 1.00 10.00 C ATOM 121 CD1 PHE A 9 -1.641 0.855 -2.777 1.00 10.00 C ATOM 122 CD2 PHE A 9 0.529 1.454 -1.986 1.00 10.00 C ATOM 123 CE1 PHE A 9 -2.218 1.544 -1.728 1.00 10.00 C ATOM 124 CE2 PHE A 9 -0.043 2.145 -0.938 1.00 10.00 C ATOM 125 CZ PHE A 9 -1.417 2.192 -0.808 1.00 10.00 C ATOM 0 H PHE A 9 -1.342 0.687 -6.033 1.00 10.00 H new ATOM 0 HA PHE A 9 1.247 1.729 -5.060 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -0.274 -0.800 -4.309 1.00 10.00 H new ATOM 0 HB3 PHE A 9 1.318 -0.368 -3.717 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.270 0.353 -3.497 1.00 10.00 H new ATOM 0 HD2 PHE A 9 1.604 1.422 -2.082 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -3.293 1.576 -1.627 1.00 10.00 H new ATOM 0 HE2 PHE A 9 0.584 2.650 -0.218 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.865 2.735 0.012 1.00 10.00 H new ATOM 135 N LYS A 10 2.604 0.026 -6.353 1.00 10.00 N ATOM 136 CA LYS A 10 3.364 -0.771 -7.299 1.00 10.00 C ATOM 137 C LYS A 10 3.950 -1.988 -6.590 1.00 10.00 C ATOM 138 O LYS A 10 5.167 -2.178 -6.540 1.00 10.00 O ATOM 139 CB LYS A 10 4.467 0.073 -7.938 1.00 10.00 C ATOM 140 CG LYS A 10 5.000 -0.502 -9.239 1.00 10.00 C ATOM 141 CD LYS A 10 5.921 0.480 -9.935 1.00 10.00 C ATOM 142 CE LYS A 10 6.776 -0.202 -10.993 1.00 10.00 C ATOM 143 NZ LYS A 10 7.908 0.656 -11.430 1.00 10.00 N ATOM 0 H LYS A 10 3.173 0.572 -5.706 1.00 10.00 H new ATOM 0 HA LYS A 10 2.702 -1.116 -8.093 1.00 10.00 H new ATOM 0 HB2 LYS A 10 4.083 1.076 -8.125 1.00 10.00 H new ATOM 0 HB3 LYS A 10 5.291 0.174 -7.231 1.00 10.00 H new ATOM 0 HG2 LYS A 10 5.538 -1.428 -9.037 1.00 10.00 H new ATOM 0 HG3 LYS A 10 4.168 -0.753 -9.897 1.00 10.00 H new ATOM 0 HD2 LYS A 10 5.328 1.268 -10.399 1.00 10.00 H new ATOM 0 HD3 LYS A 10 6.567 0.958 -9.198 1.00 10.00 H new ATOM 0 HE2 LYS A 10 7.164 -1.140 -10.596 1.00 10.00 H new ATOM 0 HE3 LYS A 10 6.157 -0.452 -11.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 10 8.676 0.058 -11.795 1.00 10.00 H new ATOM 0 HZ2 LYS A 10 7.585 1.301 -12.179 1.00 10.00 H new ATOM 0 HZ3 LYS A 10 8.256 1.210 -10.622 1.00 10.00 H new ATOM 157 N TYR A 11 3.056 -2.807 -6.053 1.00 10.00 N ATOM 158 CA TYR A 11 3.426 -4.013 -5.322 1.00 10.00 C ATOM 159 C TYR A 11 4.209 -4.975 -6.218 1.00 10.00 C ATOM 160 O TYR A 11 3.667 -5.531 -7.175 1.00 10.00 O ATOM 161 CB TYR A 11 2.156 -4.677 -4.752 1.00 10.00 C ATOM 162 CG TYR A 11 2.167 -6.194 -4.742 1.00 10.00 C ATOM 163 CD1 TYR A 11 3.087 -6.901 -3.982 1.00 10.00 C ATOM 164 CD2 TYR A 11 1.253 -6.916 -5.503 1.00 10.00 C ATOM 165 CE1 TYR A 11 3.096 -8.281 -3.977 1.00 10.00 C ATOM 166 CE2 TYR A 11 1.258 -8.298 -5.502 1.00 10.00 C ATOM 167 CZ TYR A 11 2.183 -8.976 -4.737 1.00 10.00 C ATOM 168 OH TYR A 11 2.192 -10.353 -4.719 1.00 10.00 O ATOM 0 H TYR A 11 2.049 -2.654 -6.112 1.00 10.00 H new ATOM 0 HA TYR A 11 4.080 -3.745 -4.492 1.00 10.00 H new ATOM 0 HB2 TYR A 11 2.008 -4.324 -3.731 1.00 10.00 H new ATOM 0 HB3 TYR A 11 1.298 -4.340 -5.333 1.00 10.00 H new ATOM 0 HD1 TYR A 11 3.808 -6.363 -3.384 1.00 10.00 H new ATOM 0 HD2 TYR A 11 0.528 -6.388 -6.104 1.00 10.00 H new ATOM 0 HE1 TYR A 11 3.819 -8.815 -3.378 1.00 10.00 H new ATOM 0 HE2 TYR A 11 0.541 -8.844 -6.097 1.00 10.00 H new ATOM 0 HH TYR A 11 2.669 -10.667 -3.923 1.00 10.00 H new ATOM 178 N LYS A 12 5.498 -5.129 -5.909 1.00 10.00 N ATOM 179 CA LYS A 12 6.401 -6.011 -6.654 1.00 10.00 C ATOM 180 C LYS A 12 6.427 -5.667 -8.145 1.00 10.00 C ATOM 181 O LYS A 12 6.793 -6.495 -8.977 1.00 10.00 O ATOM 182 CB LYS A 12 6.018 -7.480 -6.453 1.00 10.00 C ATOM 183 CG LYS A 12 6.872 -8.183 -5.412 1.00 10.00 C ATOM 184 CD LYS A 12 6.487 -9.645 -5.264 1.00 10.00 C ATOM 185 CE LYS A 12 7.455 -10.382 -4.354 1.00 10.00 C ATOM 186 NZ LYS A 12 8.821 -10.465 -4.939 1.00 10.00 N ATOM 0 H LYS A 12 5.947 -4.644 -5.132 1.00 10.00 H new ATOM 0 HA LYS A 12 7.405 -5.854 -6.258 1.00 10.00 H new ATOM 0 HB2 LYS A 12 4.971 -7.538 -6.155 1.00 10.00 H new ATOM 0 HB3 LYS A 12 6.109 -8.006 -7.403 1.00 10.00 H new ATOM 0 HG2 LYS A 12 7.923 -8.110 -5.693 1.00 10.00 H new ATOM 0 HG3 LYS A 12 6.764 -7.679 -4.452 1.00 10.00 H new ATOM 0 HD2 LYS A 12 5.477 -9.718 -4.860 1.00 10.00 H new ATOM 0 HD3 LYS A 12 6.473 -10.121 -6.245 1.00 10.00 H new ATOM 0 HE2 LYS A 12 7.504 -9.874 -3.391 1.00 10.00 H new ATOM 0 HE3 LYS A 12 7.080 -11.388 -4.166 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 9.365 -11.202 -4.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 8.752 -10.702 -5.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 9.301 -9.549 -4.831 1.00 10.00 H new ATOM 200 N GLY A 13 6.052 -4.436 -8.476 1.00 10.00 N ATOM 201 CA GLY A 13 6.036 -4.015 -9.864 1.00 10.00 C ATOM 202 C GLY A 13 4.637 -4.012 -10.447 1.00 10.00 C ATOM 203 O GLY A 13 4.378 -3.367 -11.465 1.00 10.00 O ATOM 0 H GLY A 13 5.759 -3.723 -7.808 1.00 10.00 H new ATOM 0 HA2 GLY A 13 6.463 -3.015 -9.943 1.00 10.00 H new ATOM 0 HA3 GLY A 13 6.670 -4.680 -10.450 1.00 10.00 H new ATOM 207 N GLU A 14 3.730 -4.728 -9.798 1.00 10.00 N ATOM 208 CA GLU A 14 2.354 -4.817 -10.249 1.00 10.00 C ATOM 209 C GLU A 14 1.554 -3.620 -9.761 1.00 10.00 C ATOM 210 O GLU A 14 1.716 -3.173 -8.625 1.00 10.00 O ATOM 211 CB GLU A 14 1.709 -6.112 -9.755 1.00 10.00 C ATOM 212 CG GLU A 14 0.313 -6.335 -10.304 1.00 10.00 C ATOM 213 CD GLU A 14 -0.416 -7.454 -9.600 1.00 10.00 C ATOM 214 OE1 GLU A 14 -0.223 -8.628 -9.981 1.00 10.00 O ATOM 215 OE2 GLU A 14 -1.200 -7.167 -8.672 1.00 10.00 O ATOM 0 H GLU A 14 3.928 -5.259 -8.950 1.00 10.00 H new ATOM 0 HA GLU A 14 2.354 -4.819 -11.339 1.00 10.00 H new ATOM 0 HB2 GLU A 14 2.341 -6.954 -10.036 1.00 10.00 H new ATOM 0 HB3 GLU A 14 1.665 -6.095 -8.666 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -0.263 -5.414 -10.208 1.00 10.00 H new ATOM 0 HG3 GLU A 14 0.377 -6.561 -11.368 1.00 10.00 H new ATOM 222 N GLU A 15 0.695 -3.106 -10.624 1.00 10.00 N ATOM 223 CA GLU A 15 -0.131 -1.961 -10.288 1.00 10.00 C ATOM 224 C GLU A 15 -1.368 -2.400 -9.506 1.00 10.00 C ATOM 225 O GLU A 15 -2.308 -2.960 -10.071 1.00 10.00 O ATOM 226 CB GLU A 15 -0.546 -1.217 -11.558 1.00 10.00 C ATOM 227 CG GLU A 15 -1.347 0.047 -11.296 1.00 10.00 C ATOM 228 CD GLU A 15 -1.775 0.731 -12.575 1.00 10.00 C ATOM 229 OE1 GLU A 15 -2.146 0.027 -13.540 1.00 10.00 O ATOM 230 OE2 GLU A 15 -1.756 1.977 -12.624 1.00 10.00 O ATOM 0 H GLU A 15 0.552 -3.466 -11.567 1.00 10.00 H new ATOM 0 HA GLU A 15 0.453 -1.288 -9.660 1.00 10.00 H new ATOM 0 HB2 GLU A 15 0.348 -0.958 -12.124 1.00 10.00 H new ATOM 0 HB3 GLU A 15 -1.136 -1.887 -12.183 1.00 10.00 H new ATOM 0 HG2 GLU A 15 -2.230 -0.201 -10.706 1.00 10.00 H new ATOM 0 HG3 GLU A 15 -0.749 0.737 -10.700 1.00 10.00 H new ATOM 237 N LYS A 16 -1.347 -2.166 -8.204 1.00 10.00 N ATOM 238 CA LYS A 16 -2.462 -2.513 -7.340 1.00 10.00 C ATOM 239 C LYS A 16 -3.209 -1.251 -6.938 1.00 10.00 C ATOM 240 O LYS A 16 -2.592 -0.249 -6.582 1.00 10.00 O ATOM 241 CB LYS A 16 -1.967 -3.242 -6.088 1.00 10.00 C ATOM 242 CG LYS A 16 -2.230 -4.739 -6.100 1.00 10.00 C ATOM 243 CD LYS A 16 -1.926 -5.359 -4.746 1.00 10.00 C ATOM 244 CE LYS A 16 -2.294 -6.834 -4.701 1.00 10.00 C ATOM 245 NZ LYS A 16 -3.744 -7.047 -4.434 1.00 10.00 N ATOM 0 H LYS A 16 -0.561 -1.733 -7.719 1.00 10.00 H new ATOM 0 HA LYS A 16 -3.133 -3.176 -7.885 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -0.896 -3.073 -5.981 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -2.448 -2.806 -5.212 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -3.271 -4.926 -6.364 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -1.617 -5.213 -6.866 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.865 -5.243 -4.524 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.475 -4.824 -3.971 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -2.029 -7.301 -5.649 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.708 -7.329 -3.927 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.932 -8.064 -4.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -4.012 -6.553 -3.559 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -4.302 -6.673 -5.228 1.00 10.00 H new ATOM 259 N GLN A 17 -4.525 -1.288 -7.007 1.00 10.00 N ATOM 260 CA GLN A 17 -5.320 -0.133 -6.643 1.00 10.00 C ATOM 261 C GLN A 17 -6.180 -0.447 -5.432 1.00 10.00 C ATOM 262 O GLN A 17 -7.171 -1.173 -5.529 1.00 10.00 O ATOM 263 CB GLN A 17 -6.189 0.321 -7.812 1.00 10.00 C ATOM 264 CG GLN A 17 -6.763 1.716 -7.621 1.00 10.00 C ATOM 265 CD GLN A 17 -7.456 2.242 -8.858 1.00 10.00 C ATOM 266 OE1 GLN A 17 -7.434 3.442 -9.130 1.00 10.00 O ATOM 267 NE2 GLN A 17 -8.089 1.353 -9.603 1.00 10.00 N ATOM 0 H GLN A 17 -5.063 -2.100 -7.310 1.00 10.00 H new ATOM 0 HA GLN A 17 -4.642 0.682 -6.389 1.00 10.00 H new ATOM 0 HB2 GLN A 17 -5.597 0.300 -8.727 1.00 10.00 H new ATOM 0 HB3 GLN A 17 -7.007 -0.387 -7.946 1.00 10.00 H new ATOM 0 HG2 GLN A 17 -7.471 1.702 -6.792 1.00 10.00 H new ATOM 0 HG3 GLN A 17 -5.960 2.399 -7.342 1.00 10.00 H new ATOM 0 HE21 GLN A 17 -8.081 0.368 -9.339 1.00 10.00 H new ATOM 0 HE22 GLN A 17 -8.586 1.652 -10.442 1.00 10.00 H new ATOM 276 N VAL A 18 -5.793 0.098 -4.293 1.00 10.00 N ATOM 277 CA VAL A 18 -6.522 -0.131 -3.059 1.00 10.00 C ATOM 278 C VAL A 18 -7.194 1.150 -2.586 1.00 10.00 C ATOM 279 O VAL A 18 -6.568 2.209 -2.530 1.00 10.00 O ATOM 280 CB VAL A 18 -5.600 -0.667 -1.941 1.00 10.00 C ATOM 281 CG1 VAL A 18 -6.392 -0.939 -0.670 1.00 10.00 C ATOM 282 CG2 VAL A 18 -4.875 -1.924 -2.407 1.00 10.00 C ATOM 0 H VAL A 18 -4.977 0.703 -4.197 1.00 10.00 H new ATOM 0 HA VAL A 18 -7.281 -0.884 -3.272 1.00 10.00 H new ATOM 0 HB VAL A 18 -4.855 0.096 -1.715 1.00 10.00 H new ATOM 0 HG11 VAL A 18 -5.722 -1.316 0.103 1.00 10.00 H new ATOM 0 HG12 VAL A 18 -6.858 -0.015 -0.327 1.00 10.00 H new ATOM 0 HG13 VAL A 18 -7.164 -1.681 -0.874 1.00 10.00 H new ATOM 0 HG21 VAL A 18 -4.230 -2.289 -1.608 1.00 10.00 H new ATOM 0 HG22 VAL A 18 -5.605 -2.692 -2.663 1.00 10.00 H new ATOM 0 HG23 VAL A 18 -4.271 -1.692 -3.284 1.00 10.00 H new ATOM 292 N ASP A 19 -8.476 1.052 -2.275 1.00 10.00 N ATOM 293 CA ASP A 19 -9.235 2.195 -1.791 1.00 10.00 C ATOM 294 C ASP A 19 -8.762 2.584 -0.395 1.00 10.00 C ATOM 295 O ASP A 19 -8.350 1.725 0.389 1.00 10.00 O ATOM 296 CB ASP A 19 -10.725 1.867 -1.763 1.00 10.00 C ATOM 297 CG ASP A 19 -11.594 3.102 -1.681 1.00 10.00 C ATOM 298 OD1 ASP A 19 -11.649 3.726 -0.599 1.00 10.00 O ATOM 299 OD2 ASP A 19 -12.241 3.437 -2.693 1.00 10.00 O ATOM 0 H ASP A 19 -9.015 0.189 -2.349 1.00 10.00 H new ATOM 0 HA ASP A 19 -9.072 3.034 -2.468 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -10.986 1.304 -2.659 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -10.935 1.223 -0.909 1.00 10.00 H new ATOM 304 N ILE A 20 -8.836 3.869 -0.086 1.00 10.00 N ATOM 305 CA ILE A 20 -8.406 4.372 1.211 1.00 10.00 C ATOM 306 C ILE A 20 -9.291 3.825 2.337 1.00 10.00 C ATOM 307 O ILE A 20 -8.874 3.764 3.494 1.00 10.00 O ATOM 308 CB ILE A 20 -8.394 5.921 1.236 1.00 10.00 C ATOM 309 CG1 ILE A 20 -7.657 6.438 2.477 1.00 10.00 C ATOM 310 CG2 ILE A 20 -9.812 6.473 1.191 1.00 10.00 C ATOM 311 CD1 ILE A 20 -7.336 7.917 2.425 1.00 10.00 C ATOM 0 H ILE A 20 -9.191 4.586 -0.718 1.00 10.00 H new ATOM 0 HA ILE A 20 -7.387 4.021 1.376 1.00 10.00 H new ATOM 0 HB ILE A 20 -7.862 6.269 0.350 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -8.266 6.239 3.359 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -6.729 5.878 2.597 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -9.779 7.562 1.210 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -10.303 6.140 0.277 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -10.370 6.112 2.055 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -6.815 8.209 3.337 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -6.701 8.121 1.563 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -8.261 8.487 2.337 1.00 10.00 H new ATOM 323 N SER A 21 -10.502 3.404 1.990 1.00 10.00 N ATOM 324 CA SER A 21 -11.426 2.861 2.976 1.00 10.00 C ATOM 325 C SER A 21 -11.091 1.401 3.295 1.00 10.00 C ATOM 326 O SER A 21 -11.591 0.839 4.271 1.00 10.00 O ATOM 327 CB SER A 21 -12.870 2.978 2.475 1.00 10.00 C ATOM 328 OG SER A 21 -13.000 2.475 1.155 1.00 10.00 O ATOM 0 H SER A 21 -10.865 3.428 1.037 1.00 10.00 H new ATOM 0 HA SER A 21 -11.324 3.442 3.893 1.00 10.00 H new ATOM 0 HB2 SER A 21 -13.534 2.429 3.143 1.00 10.00 H new ATOM 0 HB3 SER A 21 -13.183 4.022 2.501 1.00 10.00 H new ATOM 0 HG SER A 21 -12.701 3.154 0.515 1.00 10.00 H new ATOM 334 N LYS A 22 -10.244 0.796 2.466 1.00 10.00 N ATOM 335 CA LYS A 22 -9.840 -0.593 2.662 1.00 10.00 C ATOM 336 C LYS A 22 -8.542 -0.666 3.456 1.00 10.00 C ATOM 337 O LYS A 22 -8.293 -1.643 4.168 1.00 10.00 O ATOM 338 CB LYS A 22 -9.647 -1.297 1.317 1.00 10.00 C ATOM 339 CG LYS A 22 -10.914 -1.419 0.488 1.00 10.00 C ATOM 340 CD LYS A 22 -10.627 -2.096 -0.844 1.00 10.00 C ATOM 341 CE LYS A 22 -11.871 -2.196 -1.709 1.00 10.00 C ATOM 342 NZ LYS A 22 -11.585 -2.874 -3.003 1.00 10.00 N ATOM 0 H LYS A 22 -9.824 1.246 1.652 1.00 10.00 H new ATOM 0 HA LYS A 22 -10.632 -1.094 3.218 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -8.900 -0.753 0.739 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -9.247 -2.295 1.497 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.660 -1.992 1.039 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.337 -0.429 0.314 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -9.858 -1.537 -1.377 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -10.228 -3.095 -0.665 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -12.645 -2.746 -1.173 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -12.264 -1.197 -1.900 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -12.456 -2.925 -3.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.865 -2.336 -3.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -11.234 -3.836 -2.821 1.00 10.00 H new ATOM 356 N ILE A 23 -7.715 0.363 3.311 1.00 10.00 N ATOM 357 CA ILE A 23 -6.436 0.428 3.998 1.00 10.00 C ATOM 358 C ILE A 23 -6.631 0.452 5.510 1.00 10.00 C ATOM 359 O ILE A 23 -7.347 1.299 6.043 1.00 10.00 O ATOM 360 CB ILE A 23 -5.626 1.665 3.555 1.00 10.00 C ATOM 361 CG1 ILE A 23 -5.363 1.614 2.046 1.00 10.00 C ATOM 362 CG2 ILE A 23 -4.314 1.743 4.320 1.00 10.00 C ATOM 363 CD1 ILE A 23 -4.653 2.837 1.503 1.00 10.00 C ATOM 0 H ILE A 23 -7.912 1.169 2.718 1.00 10.00 H new ATOM 0 HA ILE A 23 -5.876 -0.468 3.729 1.00 10.00 H new ATOM 0 HB ILE A 23 -6.208 2.560 3.777 1.00 10.00 H new ATOM 0 HG12 ILE A 23 -4.766 0.730 1.821 1.00 10.00 H new ATOM 0 HG13 ILE A 23 -6.314 1.497 1.526 1.00 10.00 H new ATOM 0 HG21 ILE A 23 -3.755 2.621 3.995 1.00 10.00 H new ATOM 0 HG22 ILE A 23 -4.519 1.818 5.388 1.00 10.00 H new ATOM 0 HG23 ILE A 23 -3.726 0.846 4.126 1.00 10.00 H new ATOM 0 HD11 ILE A 23 -4.504 2.724 0.429 1.00 10.00 H new ATOM 0 HD12 ILE A 23 -5.258 3.724 1.694 1.00 10.00 H new ATOM 0 HD13 ILE A 23 -3.686 2.944 1.994 1.00 10.00 H new ATOM 375 N LEU A 24 -5.998 -0.488 6.191 1.00 10.00 N ATOM 376 CA LEU A 24 -6.100 -0.588 7.637 1.00 10.00 C ATOM 377 C LEU A 24 -4.965 0.173 8.309 1.00 10.00 C ATOM 378 O LEU A 24 -5.194 1.146 9.025 1.00 10.00 O ATOM 379 CB LEU A 24 -6.063 -2.056 8.065 1.00 10.00 C ATOM 380 CG LEU A 24 -7.067 -2.966 7.355 1.00 10.00 C ATOM 381 CD1 LEU A 24 -6.764 -4.423 7.651 1.00 10.00 C ATOM 382 CD2 LEU A 24 -8.488 -2.621 7.773 1.00 10.00 C ATOM 0 H LEU A 24 -5.404 -1.198 5.762 1.00 10.00 H new ATOM 0 HA LEU A 24 -7.047 -0.147 7.946 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -5.059 -2.444 7.891 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -6.244 -2.110 9.139 1.00 10.00 H new ATOM 0 HG LEU A 24 -6.977 -2.807 6.280 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -7.488 -5.057 7.138 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -5.760 -4.664 7.303 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -6.827 -4.597 8.725 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -9.189 -3.278 7.258 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -8.592 -2.752 8.850 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -8.703 -1.585 7.511 1.00 10.00 H new ATOM 394 N SER A 25 -3.738 -0.270 8.074 1.00 10.00 N ATOM 395 CA SER A 25 -2.570 0.369 8.663 1.00 10.00 C ATOM 396 C SER A 25 -1.420 0.429 7.664 1.00 10.00 C ATOM 397 O SER A 25 -1.150 -0.546 6.961 1.00 10.00 O ATOM 398 CB SER A 25 -2.119 -0.396 9.912 1.00 10.00 C ATOM 399 OG SER A 25 -3.225 -0.806 10.699 1.00 10.00 O ATOM 0 H SER A 25 -3.525 -1.071 7.479 1.00 10.00 H new ATOM 0 HA SER A 25 -2.849 1.386 8.940 1.00 10.00 H new ATOM 0 HB2 SER A 25 -1.539 -1.270 9.615 1.00 10.00 H new ATOM 0 HB3 SER A 25 -1.461 0.236 10.509 1.00 10.00 H new ATOM 0 HG SER A 25 -2.904 -1.292 11.487 1.00 10.00 H new ATOM 405 N VAL A 26 -0.760 1.577 7.592 1.00 10.00 N ATOM 406 CA VAL A 26 0.379 1.752 6.702 1.00 10.00 C ATOM 407 C VAL A 26 1.653 1.886 7.528 1.00 10.00 C ATOM 408 O VAL A 26 1.718 2.713 8.441 1.00 10.00 O ATOM 409 CB VAL A 26 0.225 2.997 5.799 1.00 10.00 C ATOM 410 CG1 VAL A 26 1.383 3.098 4.818 1.00 10.00 C ATOM 411 CG2 VAL A 26 -1.098 2.966 5.055 1.00 10.00 C ATOM 0 H VAL A 26 -0.995 2.404 8.141 1.00 10.00 H new ATOM 0 HA VAL A 26 0.431 0.875 6.057 1.00 10.00 H new ATOM 0 HB VAL A 26 0.237 3.879 6.439 1.00 10.00 H new ATOM 0 HG11 VAL A 26 1.254 3.981 4.193 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.320 3.177 5.369 1.00 10.00 H new ATOM 0 HG13 VAL A 26 1.406 2.208 4.189 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.183 3.852 4.426 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.144 2.073 4.431 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.919 2.950 5.772 1.00 10.00 H new ATOM 421 N GLY A 27 2.650 1.068 7.224 1.00 10.00 N ATOM 422 CA GLY A 27 3.895 1.124 7.957 1.00 10.00 C ATOM 423 C GLY A 27 5.070 1.499 7.076 1.00 10.00 C ATOM 424 O GLY A 27 5.200 1.009 5.952 1.00 10.00 O ATOM 0 H GLY A 27 2.618 0.368 6.483 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.805 1.850 8.765 1.00 10.00 H new ATOM 0 HA3 GLY A 27 4.085 0.155 8.418 1.00 10.00 H new ATOM 428 N ARG A 28 5.925 2.371 7.583 1.00 10.00 N ATOM 429 CA ARG A 28 7.095 2.812 6.845 1.00 10.00 C ATOM 430 C ARG A 28 8.356 2.201 7.445 1.00 10.00 C ATOM 431 O ARG A 28 8.770 2.550 8.552 1.00 10.00 O ATOM 432 CB ARG A 28 7.182 4.341 6.847 1.00 10.00 C ATOM 433 CG ARG A 28 8.280 4.897 5.953 1.00 10.00 C ATOM 434 CD ARG A 28 8.217 6.413 5.878 1.00 10.00 C ATOM 435 NE ARG A 28 9.257 6.972 5.015 1.00 10.00 N ATOM 436 CZ ARG A 28 10.335 7.617 5.461 1.00 10.00 C ATOM 437 NH1 ARG A 28 10.526 7.801 6.764 1.00 10.00 N ATOM 438 NH2 ARG A 28 11.220 8.092 4.591 1.00 10.00 N ATOM 0 H ARG A 28 5.829 2.789 8.508 1.00 10.00 H new ATOM 0 HA ARG A 28 7.006 2.476 5.812 1.00 10.00 H new ATOM 0 HB2 ARG A 28 6.224 4.750 6.526 1.00 10.00 H new ATOM 0 HB3 ARG A 28 7.350 4.684 7.868 1.00 10.00 H new ATOM 0 HG2 ARG A 28 9.253 4.590 6.335 1.00 10.00 H new ATOM 0 HG3 ARG A 28 8.184 4.477 4.952 1.00 10.00 H new ATOM 0 HD2 ARG A 28 7.238 6.715 5.505 1.00 10.00 H new ATOM 0 HD3 ARG A 28 8.319 6.828 6.881 1.00 10.00 H new ATOM 0 HE ARG A 28 9.151 6.861 4.007 1.00 10.00 H new ATOM 0 HH11 ARG A 28 9.844 7.447 7.434 1.00 10.00 H new ATOM 0 HH12 ARG A 28 11.355 8.296 7.093 1.00 10.00 H new ATOM 0 HH21 ARG A 28 11.072 7.962 3.590 1.00 10.00 H new ATOM 0 HH22 ARG A 28 12.048 8.587 4.924 1.00 10.00 H new ATOM 452 N TYR A 29 8.959 1.274 6.711 1.00 10.00 N ATOM 453 CA TYR A 29 10.175 0.610 7.164 1.00 10.00 C ATOM 454 C TYR A 29 11.397 1.382 6.688 1.00 10.00 C ATOM 455 O TYR A 29 12.534 0.949 6.867 1.00 10.00 O ATOM 456 CB TYR A 29 10.231 -0.831 6.638 1.00 10.00 C ATOM 457 CG TYR A 29 9.135 -1.735 7.168 1.00 10.00 C ATOM 458 CD1 TYR A 29 7.806 -1.543 6.801 1.00 10.00 C ATOM 459 CD2 TYR A 29 9.434 -2.789 8.020 1.00 10.00 C ATOM 460 CE1 TYR A 29 6.810 -2.376 7.270 1.00 10.00 C ATOM 461 CE2 TYR A 29 8.441 -3.626 8.496 1.00 10.00 C ATOM 462 CZ TYR A 29 7.130 -3.415 8.118 1.00 10.00 C ATOM 463 OH TYR A 29 6.138 -4.251 8.579 1.00 10.00 O ATOM 0 H TYR A 29 8.625 0.965 5.798 1.00 10.00 H new ATOM 0 HA TYR A 29 10.169 0.583 8.254 1.00 10.00 H new ATOM 0 HB2 TYR A 29 10.173 -0.810 5.550 1.00 10.00 H new ATOM 0 HB3 TYR A 29 11.198 -1.262 6.898 1.00 10.00 H new ATOM 0 HD1 TYR A 29 7.550 -0.729 6.139 1.00 10.00 H new ATOM 0 HD2 TYR A 29 10.459 -2.958 8.316 1.00 10.00 H new ATOM 0 HE1 TYR A 29 5.784 -2.214 6.974 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.690 -4.441 9.160 1.00 10.00 H new ATOM 0 HH TYR A 29 6.530 -4.932 9.165 1.00 10.00 H new ATOM 473 N GLY A 30 11.150 2.532 6.079 1.00 10.00 N ATOM 474 CA GLY A 30 12.220 3.356 5.565 1.00 10.00 C ATOM 475 C GLY A 30 11.999 3.680 4.108 1.00 10.00 C ATOM 476 O GLY A 30 11.282 4.620 3.777 1.00 10.00 O ATOM 0 H GLY A 30 10.215 2.911 5.931 1.00 10.00 H new ATOM 0 HA2 GLY A 30 12.282 4.279 6.141 1.00 10.00 H new ATOM 0 HA3 GLY A 30 13.172 2.840 5.686 1.00 10.00 H new ATOM 480 N LYS A 31 12.600 2.889 3.234 1.00 10.00 N ATOM 481 CA LYS A 31 12.441 3.084 1.805 1.00 10.00 C ATOM 482 C LYS A 31 11.439 2.079 1.259 1.00 10.00 C ATOM 483 O LYS A 31 11.064 2.125 0.088 1.00 10.00 O ATOM 484 CB LYS A 31 13.786 2.977 1.084 1.00 10.00 C ATOM 485 CG LYS A 31 14.716 4.148 1.369 1.00 10.00 C ATOM 486 CD LYS A 31 14.068 5.475 0.998 1.00 10.00 C ATOM 487 CE LYS A 31 14.878 6.661 1.486 1.00 10.00 C ATOM 488 NZ LYS A 31 14.139 7.940 1.301 1.00 10.00 N ATOM 0 H LYS A 31 13.202 2.107 3.490 1.00 10.00 H new ATOM 0 HA LYS A 31 12.058 4.089 1.626 1.00 10.00 H new ATOM 0 HB2 LYS A 31 14.277 2.051 1.382 1.00 10.00 H new ATOM 0 HB3 LYS A 31 13.611 2.914 0.010 1.00 10.00 H new ATOM 0 HG2 LYS A 31 14.982 4.154 2.426 1.00 10.00 H new ATOM 0 HG3 LYS A 31 15.642 4.024 0.808 1.00 10.00 H new ATOM 0 HD2 LYS A 31 13.956 5.533 -0.085 1.00 10.00 H new ATOM 0 HD3 LYS A 31 13.066 5.521 1.425 1.00 10.00 H new ATOM 0 HE2 LYS A 31 15.120 6.529 2.541 1.00 10.00 H new ATOM 0 HE3 LYS A 31 15.823 6.704 0.945 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 14.650 8.709 1.780 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 14.064 8.154 0.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 13.186 7.852 1.708 1.00 10.00 H new ATOM 502 N LEU A 32 11.022 1.171 2.128 1.00 10.00 N ATOM 503 CA LEU A 32 10.039 0.154 1.788 1.00 10.00 C ATOM 504 C LEU A 32 8.789 0.368 2.636 1.00 10.00 C ATOM 505 O LEU A 32 8.820 0.209 3.858 1.00 10.00 O ATOM 506 CB LEU A 32 10.607 -1.254 2.019 1.00 10.00 C ATOM 507 CG LEU A 32 11.466 -1.827 0.884 1.00 10.00 C ATOM 508 CD1 LEU A 32 11.879 -3.254 1.201 1.00 10.00 C ATOM 509 CD2 LEU A 32 10.725 -1.764 -0.447 1.00 10.00 C ATOM 0 H LEU A 32 11.356 1.119 3.090 1.00 10.00 H new ATOM 0 HA LEU A 32 9.785 0.241 0.732 1.00 10.00 H new ATOM 0 HB2 LEU A 32 11.207 -1.238 2.929 1.00 10.00 H new ATOM 0 HB3 LEU A 32 9.775 -1.935 2.198 1.00 10.00 H new ATOM 0 HG LEU A 32 12.365 -1.217 0.796 1.00 10.00 H new ATOM 0 HD11 LEU A 32 12.488 -3.646 0.386 1.00 10.00 H new ATOM 0 HD12 LEU A 32 12.457 -3.269 2.125 1.00 10.00 H new ATOM 0 HD13 LEU A 32 10.989 -3.873 1.319 1.00 10.00 H new ATOM 0 HD21 LEU A 32 11.356 -2.176 -1.235 1.00 10.00 H new ATOM 0 HD22 LEU A 32 9.804 -2.344 -0.379 1.00 10.00 H new ATOM 0 HD23 LEU A 32 10.484 -0.727 -0.681 1.00 10.00 H new ATOM 521 N ILE A 33 7.703 0.764 1.994 1.00 10.00 N ATOM 522 CA ILE A 33 6.451 1.005 2.692 1.00 10.00 C ATOM 523 C ILE A 33 5.504 -0.173 2.506 1.00 10.00 C ATOM 524 O ILE A 33 5.119 -0.496 1.386 1.00 10.00 O ATOM 525 CB ILE A 33 5.764 2.306 2.207 1.00 10.00 C ATOM 526 CG1 ILE A 33 6.480 3.540 2.761 1.00 10.00 C ATOM 527 CG2 ILE A 33 4.297 2.334 2.612 1.00 10.00 C ATOM 528 CD1 ILE A 33 7.751 3.894 2.024 1.00 10.00 C ATOM 0 H ILE A 33 7.663 0.926 0.988 1.00 10.00 H new ATOM 0 HA ILE A 33 6.687 1.120 3.750 1.00 10.00 H new ATOM 0 HB ILE A 33 5.825 2.324 1.119 1.00 10.00 H new ATOM 0 HG12 ILE A 33 5.800 4.391 2.721 1.00 10.00 H new ATOM 0 HG13 ILE A 33 6.716 3.370 3.811 1.00 10.00 H new ATOM 0 HG21 ILE A 33 3.840 3.258 2.259 1.00 10.00 H new ATOM 0 HG22 ILE A 33 3.781 1.482 2.170 1.00 10.00 H new ATOM 0 HG23 ILE A 33 4.218 2.282 3.698 1.00 10.00 H new ATOM 0 HD11 ILE A 33 8.199 4.779 2.476 1.00 10.00 H new ATOM 0 HD12 ILE A 33 8.451 3.061 2.085 1.00 10.00 H new ATOM 0 HD13 ILE A 33 7.520 4.098 0.978 1.00 10.00 H new ATOM 540 N HIS A 34 5.146 -0.808 3.608 1.00 10.00 N ATOM 541 CA HIS A 34 4.248 -1.950 3.581 1.00 10.00 C ATOM 542 C HIS A 34 2.952 -1.591 4.292 1.00 10.00 C ATOM 543 O HIS A 34 2.969 -1.114 5.429 1.00 10.00 O ATOM 544 CB HIS A 34 4.920 -3.158 4.244 1.00 10.00 C ATOM 545 CG HIS A 34 4.061 -4.384 4.316 1.00 10.00 C ATOM 546 ND1 HIS A 34 3.981 -5.332 3.320 1.00 10.00 N ATOM 547 CD2 HIS A 34 3.249 -4.820 5.310 1.00 10.00 C ATOM 548 CE1 HIS A 34 3.144 -6.287 3.727 1.00 10.00 C ATOM 549 NE2 HIS A 34 2.674 -6.029 4.932 1.00 10.00 N ATOM 0 H HIS A 34 5.467 -0.549 4.541 1.00 10.00 H new ATOM 0 HA HIS A 34 4.018 -2.213 2.548 1.00 10.00 H new ATOM 0 HB2 HIS A 34 5.830 -3.399 3.694 1.00 10.00 H new ATOM 0 HB3 HIS A 34 5.222 -2.881 5.254 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.076 -4.310 6.246 1.00 10.00 H new ATOM 0 HE1 HIS A 34 2.885 -7.159 3.145 1.00 10.00 H new ATOM 0 HE2 HIS A 34 2.024 -6.598 5.474 1.00 10.00 H new ATOM 557 N PHE A 35 1.834 -1.810 3.623 1.00 10.00 N ATOM 558 CA PHE A 35 0.538 -1.490 4.195 1.00 10.00 C ATOM 559 C PHE A 35 -0.368 -2.711 4.217 1.00 10.00 C ATOM 560 O PHE A 35 -0.211 -3.635 3.414 1.00 10.00 O ATOM 561 CB PHE A 35 -0.127 -0.353 3.409 1.00 10.00 C ATOM 562 CG PHE A 35 -0.724 -0.785 2.099 1.00 10.00 C ATOM 563 CD1 PHE A 35 -2.099 -0.871 1.946 1.00 10.00 C ATOM 564 CD2 PHE A 35 0.085 -1.111 1.026 1.00 10.00 C ATOM 565 CE1 PHE A 35 -2.650 -1.279 0.747 1.00 10.00 C ATOM 566 CE2 PHE A 35 -0.459 -1.520 -0.172 1.00 10.00 C ATOM 567 CZ PHE A 35 -1.828 -1.602 -0.315 1.00 10.00 C ATOM 0 H PHE A 35 1.797 -2.208 2.684 1.00 10.00 H new ATOM 0 HA PHE A 35 0.696 -1.165 5.223 1.00 10.00 H new ATOM 0 HB2 PHE A 35 -0.909 0.092 4.024 1.00 10.00 H new ATOM 0 HB3 PHE A 35 0.612 0.426 3.221 1.00 10.00 H new ATOM 0 HD1 PHE A 35 -2.746 -0.616 2.773 1.00 10.00 H new ATOM 0 HD2 PHE A 35 1.158 -1.044 1.128 1.00 10.00 H new ATOM 0 HE1 PHE A 35 -3.723 -1.345 0.640 1.00 10.00 H new ATOM 0 HE2 PHE A 35 0.187 -1.776 -0.999 1.00 10.00 H new ATOM 0 HZ PHE A 35 -2.256 -1.918 -1.255 1.00 10.00 H new ATOM 577 N LEU A 36 -1.304 -2.707 5.151 1.00 10.00 N ATOM 578 CA LEU A 36 -2.264 -3.785 5.292 1.00 10.00 C ATOM 579 C LEU A 36 -3.648 -3.270 4.927 1.00 10.00 C ATOM 580 O LEU A 36 -4.052 -2.201 5.386 1.00 10.00 O ATOM 581 CB LEU A 36 -2.269 -4.309 6.734 1.00 10.00 C ATOM 582 CG LEU A 36 -0.890 -4.556 7.348 1.00 10.00 C ATOM 583 CD1 LEU A 36 -0.995 -4.636 8.862 1.00 10.00 C ATOM 584 CD2 LEU A 36 -0.277 -5.833 6.792 1.00 10.00 C ATOM 0 H LEU A 36 -1.419 -1.956 5.832 1.00 10.00 H new ATOM 0 HA LEU A 36 -1.987 -4.602 4.626 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.804 -3.595 7.360 1.00 10.00 H new ATOM 0 HB3 LEU A 36 -2.832 -5.242 6.762 1.00 10.00 H new ATOM 0 HG LEU A 36 -0.241 -3.721 7.086 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -0.007 -4.812 9.286 1.00 10.00 H new ATOM 0 HD12 LEU A 36 -1.394 -3.699 9.249 1.00 10.00 H new ATOM 0 HD13 LEU A 36 -1.659 -5.455 9.138 1.00 10.00 H new ATOM 0 HD21 LEU A 36 0.704 -5.991 7.241 1.00 10.00 H new ATOM 0 HD22 LEU A 36 -0.924 -6.679 7.026 1.00 10.00 H new ATOM 0 HD23 LEU A 36 -0.171 -5.745 5.711 1.00 10.00 H new ATOM 596 N TYR A 37 -4.372 -4.008 4.105 1.00 10.00 N ATOM 597 CA TYR A 37 -5.705 -3.583 3.701 1.00 10.00 C ATOM 598 C TYR A 37 -6.676 -4.753 3.743 1.00 10.00 C ATOM 599 O TYR A 37 -6.294 -5.892 3.491 1.00 10.00 O ATOM 600 CB TYR A 37 -5.678 -2.962 2.297 1.00 10.00 C ATOM 601 CG TYR A 37 -5.442 -3.952 1.174 1.00 10.00 C ATOM 602 CD1 TYR A 37 -6.507 -4.476 0.444 1.00 10.00 C ATOM 603 CD2 TYR A 37 -4.159 -4.355 0.838 1.00 10.00 C ATOM 604 CE1 TYR A 37 -6.292 -5.374 -0.583 1.00 10.00 C ATOM 605 CE2 TYR A 37 -3.939 -5.252 -0.187 1.00 10.00 C ATOM 606 CZ TYR A 37 -5.009 -5.756 -0.894 1.00 10.00 C ATOM 607 OH TYR A 37 -4.792 -6.649 -1.916 1.00 10.00 O ATOM 0 H TYR A 37 -4.066 -4.896 3.706 1.00 10.00 H new ATOM 0 HA TYR A 37 -6.045 -2.824 4.405 1.00 10.00 H new ATOM 0 HB2 TYR A 37 -6.625 -2.452 2.121 1.00 10.00 H new ATOM 0 HB3 TYR A 37 -4.897 -2.203 2.265 1.00 10.00 H new ATOM 0 HD1 TYR A 37 -7.516 -4.175 0.685 1.00 10.00 H new ATOM 0 HD2 TYR A 37 -3.317 -3.960 1.388 1.00 10.00 H new ATOM 0 HE1 TYR A 37 -7.127 -5.774 -1.139 1.00 10.00 H new ATOM 0 HE2 TYR A 37 -2.933 -5.558 -0.434 1.00 10.00 H new ATOM 0 HH TYR A 37 -3.943 -7.116 -1.768 1.00 10.00 H new ATOM 617 N ASP A 38 -7.926 -4.469 4.061 1.00 10.00 N ATOM 618 CA ASP A 38 -8.941 -5.509 4.130 1.00 10.00 C ATOM 619 C ASP A 38 -9.361 -5.926 2.730 1.00 10.00 C ATOM 620 O ASP A 38 -9.858 -5.114 1.950 1.00 10.00 O ATOM 621 CB ASP A 38 -10.157 -5.035 4.925 1.00 10.00 C ATOM 622 CG ASP A 38 -11.241 -6.095 5.006 1.00 10.00 C ATOM 623 OD1 ASP A 38 -10.986 -7.167 5.593 1.00 10.00 O ATOM 624 OD2 ASP A 38 -12.353 -5.854 4.495 1.00 10.00 O ATOM 0 H ASP A 38 -8.264 -3.531 4.275 1.00 10.00 H new ATOM 0 HA ASP A 38 -8.512 -6.369 4.644 1.00 10.00 H new ATOM 0 HB2 ASP A 38 -9.845 -4.760 5.932 1.00 10.00 H new ATOM 0 HB3 ASP A 38 -10.564 -4.137 4.461 1.00 10.00 H new ATOM 629 N LEU A 39 -9.135 -7.188 2.414 1.00 10.00 N ATOM 630 CA LEU A 39 -9.484 -7.723 1.111 1.00 10.00 C ATOM 631 C LEU A 39 -10.983 -7.978 1.034 1.00 10.00 C ATOM 632 O LEU A 39 -11.620 -7.693 0.020 1.00 10.00 O ATOM 633 CB LEU A 39 -8.698 -9.014 0.852 1.00 10.00 C ATOM 634 CG LEU A 39 -8.950 -9.688 -0.501 1.00 10.00 C ATOM 635 CD1 LEU A 39 -7.666 -10.295 -1.042 1.00 10.00 C ATOM 636 CD2 LEU A 39 -10.024 -10.755 -0.375 1.00 10.00 C ATOM 0 H LEU A 39 -8.709 -7.865 3.046 1.00 10.00 H new ATOM 0 HA LEU A 39 -9.222 -6.997 0.342 1.00 10.00 H new ATOM 0 HB2 LEU A 39 -7.634 -8.792 0.933 1.00 10.00 H new ATOM 0 HB3 LEU A 39 -8.936 -9.727 1.642 1.00 10.00 H new ATOM 0 HG LEU A 39 -9.297 -8.928 -1.201 1.00 10.00 H new ATOM 0 HD11 LEU A 39 -7.864 -10.769 -2.003 1.00 10.00 H new ATOM 0 HD12 LEU A 39 -6.919 -9.511 -1.171 1.00 10.00 H new ATOM 0 HD13 LEU A 39 -7.292 -11.040 -0.340 1.00 10.00 H new ATOM 0 HD21 LEU A 39 -10.189 -11.222 -1.346 1.00 10.00 H new ATOM 0 HD22 LEU A 39 -9.703 -11.511 0.342 1.00 10.00 H new ATOM 0 HD23 LEU A 39 -10.952 -10.298 -0.030 1.00 10.00 H new ATOM 648 N GLY A 40 -11.536 -8.499 2.119 1.00 10.00 N ATOM 649 CA GLY A 40 -12.951 -8.792 2.163 1.00 10.00 C ATOM 650 C GLY A 40 -13.220 -10.279 2.208 1.00 10.00 C ATOM 651 O GLY A 40 -12.907 -11.000 1.262 1.00 10.00 O ATOM 0 H GLY A 40 -11.026 -8.725 2.973 1.00 10.00 H new ATOM 0 HA2 GLY A 40 -13.393 -8.317 3.039 1.00 10.00 H new ATOM 0 HA3 GLY A 40 -13.438 -8.362 1.288 1.00 10.00 H new ATOM 655 N GLY A 41 -13.788 -10.741 3.309 1.00 10.00 N ATOM 656 CA GLY A 41 -14.085 -12.153 3.449 1.00 10.00 C ATOM 657 C GLY A 41 -13.334 -12.793 4.597 1.00 10.00 C ATOM 658 O GLY A 41 -13.318 -14.017 4.731 1.00 10.00 O ATOM 0 H GLY A 41 -14.050 -10.165 4.109 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -15.156 -12.282 3.603 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -13.832 -12.668 2.522 1.00 10.00 H new ATOM 662 N GLY A 42 -12.700 -11.969 5.418 1.00 10.00 N ATOM 663 CA GLY A 42 -11.964 -12.479 6.554 1.00 10.00 C ATOM 664 C GLY A 42 -10.483 -12.181 6.476 1.00 10.00 C ATOM 665 O GLY A 42 -9.947 -11.445 7.304 1.00 10.00 O ATOM 0 H GLY A 42 -12.683 -10.954 5.317 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -12.369 -12.045 7.468 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -12.110 -13.557 6.621 1.00 10.00 H new ATOM 669 N LYS A 43 -9.814 -12.746 5.479 1.00 10.00 N ATOM 670 CA LYS A 43 -8.380 -12.533 5.315 1.00 10.00 C ATOM 671 C LYS A 43 -8.101 -11.216 4.606 1.00 10.00 C ATOM 672 O LYS A 43 -8.724 -10.896 3.593 1.00 10.00 O ATOM 673 CB LYS A 43 -7.714 -13.694 4.557 1.00 10.00 C ATOM 674 CG LYS A 43 -8.451 -14.146 3.302 1.00 10.00 C ATOM 675 CD LYS A 43 -8.680 -15.652 3.315 1.00 10.00 C ATOM 676 CE LYS A 43 -7.519 -16.424 2.693 1.00 10.00 C ATOM 677 NZ LYS A 43 -6.187 -15.954 3.169 1.00 10.00 N ATOM 0 H LYS A 43 -10.237 -13.351 4.776 1.00 10.00 H new ATOM 0 HA LYS A 43 -7.947 -12.491 6.315 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -6.703 -13.395 4.280 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -7.621 -14.544 5.233 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -9.408 -13.630 3.233 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -7.875 -13.870 2.419 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -8.825 -15.986 4.343 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -9.597 -15.882 2.773 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -7.629 -17.483 2.925 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -7.566 -16.328 1.608 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -5.460 -16.650 2.908 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -5.964 -15.039 2.728 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -6.207 -15.844 4.203 1.00 10.00 H new ATOM 691 N ALA A 44 -7.176 -10.450 5.154 1.00 10.00 N ATOM 692 CA ALA A 44 -6.805 -9.173 4.580 1.00 10.00 C ATOM 693 C ALA A 44 -5.583 -9.331 3.684 1.00 10.00 C ATOM 694 O ALA A 44 -4.854 -10.320 3.786 1.00 10.00 O ATOM 695 CB ALA A 44 -6.538 -8.164 5.683 1.00 10.00 C ATOM 0 H ALA A 44 -6.665 -10.694 6.003 1.00 10.00 H new ATOM 0 HA ALA A 44 -7.630 -8.806 3.969 1.00 10.00 H new ATOM 0 HB1 ALA A 44 -6.260 -7.207 5.241 1.00 10.00 H new ATOM 0 HB2 ALA A 44 -7.437 -8.038 6.286 1.00 10.00 H new ATOM 0 HB3 ALA A 44 -5.725 -8.522 6.315 1.00 10.00 H new ATOM 701 N GLY A 45 -5.369 -8.357 2.814 1.00 10.00 N ATOM 702 CA GLY A 45 -4.238 -8.399 1.911 1.00 10.00 C ATOM 703 C GLY A 45 -3.113 -7.503 2.388 1.00 10.00 C ATOM 704 O GLY A 45 -3.212 -6.898 3.461 1.00 10.00 O ATOM 0 H GLY A 45 -5.962 -7.533 2.717 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -3.877 -9.424 1.826 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -4.554 -8.089 0.915 1.00 10.00 H new ATOM 708 N MET A 46 -2.058 -7.392 1.597 1.00 10.00 N ATOM 709 CA MET A 46 -0.919 -6.567 1.966 1.00 10.00 C ATOM 710 C MET A 46 -0.062 -6.242 0.747 1.00 10.00 C ATOM 711 O MET A 46 -0.058 -6.987 -0.236 1.00 10.00 O ATOM 712 CB MET A 46 -0.078 -7.272 3.035 1.00 10.00 C ATOM 713 CG MET A 46 0.615 -8.537 2.548 1.00 10.00 C ATOM 714 SD MET A 46 1.401 -9.455 3.889 1.00 10.00 S ATOM 715 CE MET A 46 2.546 -10.487 2.976 1.00 10.00 C ATOM 0 H MET A 46 -1.967 -7.862 0.696 1.00 10.00 H new ATOM 0 HA MET A 46 -1.296 -5.630 2.375 1.00 10.00 H new ATOM 0 HB2 MET A 46 0.676 -6.577 3.405 1.00 10.00 H new ATOM 0 HB3 MET A 46 -0.720 -7.525 3.879 1.00 10.00 H new ATOM 0 HG2 MET A 46 -0.113 -9.178 2.051 1.00 10.00 H new ATOM 0 HG3 MET A 46 1.366 -8.272 1.804 1.00 10.00 H new ATOM 0 HE1 MET A 46 2.353 -11.535 3.205 1.00 10.00 H new ATOM 0 HE2 MET A 46 2.414 -10.319 1.907 1.00 10.00 H new ATOM 0 HE3 MET A 46 3.568 -10.236 3.260 1.00 10.00 H new ATOM 725 N GLY A 47 0.652 -5.130 0.812 1.00 10.00 N ATOM 726 CA GLY A 47 1.498 -4.726 -0.291 1.00 10.00 C ATOM 727 C GLY A 47 2.601 -3.787 0.150 1.00 10.00 C ATOM 728 O GLY A 47 2.411 -2.985 1.064 1.00 10.00 O ATOM 0 H GLY A 47 0.661 -4.497 1.612 1.00 10.00 H new ATOM 0 HA2 GLY A 47 1.938 -5.610 -0.752 1.00 10.00 H new ATOM 0 HA3 GLY A 47 0.890 -4.238 -1.053 1.00 10.00 H new ATOM 732 N MET A 48 3.755 -3.905 -0.479 1.00 10.00 N ATOM 733 CA MET A 48 4.897 -3.061 -0.164 1.00 10.00 C ATOM 734 C MET A 48 5.399 -2.348 -1.414 1.00 10.00 C ATOM 735 O MET A 48 5.540 -2.956 -2.476 1.00 10.00 O ATOM 736 CB MET A 48 6.016 -3.908 0.449 1.00 10.00 C ATOM 737 CG MET A 48 7.168 -3.103 1.020 1.00 10.00 C ATOM 738 SD MET A 48 8.223 -4.088 2.102 1.00 10.00 S ATOM 739 CE MET A 48 8.729 -5.392 0.984 1.00 10.00 C ATOM 0 H MET A 48 3.929 -4.584 -1.220 1.00 10.00 H new ATOM 0 HA MET A 48 4.585 -2.306 0.558 1.00 10.00 H new ATOM 0 HB2 MET A 48 5.594 -4.528 1.240 1.00 10.00 H new ATOM 0 HB3 MET A 48 6.403 -4.584 -0.314 1.00 10.00 H new ATOM 0 HG2 MET A 48 7.766 -2.699 0.203 1.00 10.00 H new ATOM 0 HG3 MET A 48 6.773 -2.253 1.577 1.00 10.00 H new ATOM 0 HE1 MET A 48 9.671 -5.820 1.327 1.00 10.00 H new ATOM 0 HE2 MET A 48 7.964 -6.169 0.961 1.00 10.00 H new ATOM 0 HE3 MET A 48 8.860 -4.982 -0.017 1.00 10.00 H new ATOM 749 N VAL A 49 5.658 -1.056 -1.278 1.00 10.00 N ATOM 750 CA VAL A 49 6.144 -0.240 -2.381 1.00 10.00 C ATOM 751 C VAL A 49 7.292 0.655 -1.906 1.00 10.00 C ATOM 752 O VAL A 49 7.391 0.966 -0.718 1.00 10.00 O ATOM 753 CB VAL A 49 5.001 0.621 -2.973 1.00 10.00 C ATOM 754 CG1 VAL A 49 4.554 1.694 -1.991 1.00 10.00 C ATOM 755 CG2 VAL A 49 5.414 1.242 -4.296 1.00 10.00 C ATOM 0 H VAL A 49 5.538 -0.545 -0.403 1.00 10.00 H new ATOM 0 HA VAL A 49 6.512 -0.902 -3.164 1.00 10.00 H new ATOM 0 HB VAL A 49 4.154 -0.039 -3.158 1.00 10.00 H new ATOM 0 HG11 VAL A 49 3.751 2.282 -2.435 1.00 10.00 H new ATOM 0 HG12 VAL A 49 4.195 1.223 -1.076 1.00 10.00 H new ATOM 0 HG13 VAL A 49 5.395 2.347 -1.758 1.00 10.00 H new ATOM 0 HG21 VAL A 49 4.593 1.841 -4.689 1.00 10.00 H new ATOM 0 HG22 VAL A 49 6.286 1.878 -4.143 1.00 10.00 H new ATOM 0 HG23 VAL A 49 5.660 0.453 -5.007 1.00 10.00 H new ATOM 765 N SER A 50 8.172 1.042 -2.821 1.00 10.00 N ATOM 766 CA SER A 50 9.297 1.897 -2.476 1.00 10.00 C ATOM 767 C SER A 50 8.902 3.369 -2.572 1.00 10.00 C ATOM 768 O SER A 50 7.899 3.712 -3.204 1.00 10.00 O ATOM 769 CB SER A 50 10.483 1.607 -3.403 1.00 10.00 C ATOM 770 OG SER A 50 10.274 2.168 -4.690 1.00 10.00 O ATOM 0 H SER A 50 8.127 0.777 -3.805 1.00 10.00 H new ATOM 0 HA SER A 50 9.591 1.685 -1.448 1.00 10.00 H new ATOM 0 HB2 SER A 50 11.396 2.015 -2.969 1.00 10.00 H new ATOM 0 HB3 SER A 50 10.625 0.530 -3.491 1.00 10.00 H new ATOM 0 HG SER A 50 10.118 1.450 -5.338 1.00 10.00 H new ATOM 776 N GLU A 51 9.701 4.236 -1.958 1.00 10.00 N ATOM 777 CA GLU A 51 9.440 5.669 -1.983 1.00 10.00 C ATOM 778 C GLU A 51 9.743 6.257 -3.362 1.00 10.00 C ATOM 779 O GLU A 51 9.460 7.422 -3.623 1.00 10.00 O ATOM 780 CB GLU A 51 10.281 6.392 -0.928 1.00 10.00 C ATOM 781 CG GLU A 51 9.924 6.033 0.503 1.00 10.00 C ATOM 782 CD GLU A 51 10.310 7.118 1.488 1.00 10.00 C ATOM 783 OE1 GLU A 51 11.451 7.628 1.413 1.00 10.00 O ATOM 784 OE2 GLU A 51 9.476 7.475 2.341 1.00 10.00 O ATOM 0 H GLU A 51 10.536 3.969 -1.436 1.00 10.00 H new ATOM 0 HA GLU A 51 8.383 5.814 -1.760 1.00 10.00 H new ATOM 0 HB2 GLU A 51 11.333 6.162 -1.097 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.165 7.468 -1.061 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.852 5.850 0.571 1.00 10.00 H new ATOM 0 HG3 GLU A 51 10.424 5.104 0.777 1.00 10.00 H new ATOM 791 N LYS A 52 10.327 5.447 -4.237 1.00 10.00 N ATOM 792 CA LYS A 52 10.665 5.905 -5.578 1.00 10.00 C ATOM 793 C LYS A 52 9.669 5.378 -6.599 1.00 10.00 C ATOM 794 O LYS A 52 9.577 5.893 -7.716 1.00 10.00 O ATOM 795 CB LYS A 52 12.079 5.467 -5.950 1.00 10.00 C ATOM 796 CG LYS A 52 13.161 6.275 -5.255 1.00 10.00 C ATOM 797 CD LYS A 52 14.545 5.835 -5.690 1.00 10.00 C ATOM 798 CE LYS A 52 15.635 6.627 -4.985 1.00 10.00 C ATOM 799 NZ LYS A 52 16.985 6.061 -5.235 1.00 10.00 N ATOM 0 H LYS A 52 10.575 4.477 -4.044 1.00 10.00 H new ATOM 0 HA LYS A 52 10.620 6.994 -5.584 1.00 10.00 H new ATOM 0 HB2 LYS A 52 12.204 4.414 -5.698 1.00 10.00 H new ATOM 0 HB3 LYS A 52 12.207 5.554 -7.029 1.00 10.00 H new ATOM 0 HG2 LYS A 52 13.027 7.333 -5.478 1.00 10.00 H new ATOM 0 HG3 LYS A 52 13.064 6.162 -4.175 1.00 10.00 H new ATOM 0 HD2 LYS A 52 14.672 4.773 -5.479 1.00 10.00 H new ATOM 0 HD3 LYS A 52 14.644 5.960 -6.768 1.00 10.00 H new ATOM 0 HE2 LYS A 52 15.608 7.662 -5.324 1.00 10.00 H new ATOM 0 HE3 LYS A 52 15.439 6.638 -3.913 1.00 10.00 H new ATOM 0 HZ1 LYS A 52 17.698 6.631 -4.736 1.00 10.00 H new ATOM 0 HZ2 LYS A 52 17.020 5.081 -4.888 1.00 10.00 H new ATOM 0 HZ3 LYS A 52 17.183 6.074 -6.256 1.00 10.00 H new ATOM 813 N ASP A 53 8.934 4.338 -6.218 1.00 10.00 N ATOM 814 CA ASP A 53 7.936 3.745 -7.099 1.00 10.00 C ATOM 815 C ASP A 53 6.570 4.355 -6.828 1.00 10.00 C ATOM 816 O ASP A 53 5.682 4.315 -7.680 1.00 10.00 O ATOM 817 CB ASP A 53 7.861 2.227 -6.910 1.00 10.00 C ATOM 818 CG ASP A 53 8.907 1.474 -7.713 1.00 10.00 C ATOM 819 OD1 ASP A 53 8.836 1.489 -8.961 1.00 10.00 O ATOM 820 OD2 ASP A 53 9.799 0.852 -7.098 1.00 10.00 O ATOM 0 H ASP A 53 9.011 3.889 -5.305 1.00 10.00 H new ATOM 0 HA ASP A 53 8.234 3.953 -8.127 1.00 10.00 H new ATOM 0 HB2 ASP A 53 7.985 1.992 -5.853 1.00 10.00 H new ATOM 0 HB3 ASP A 53 6.869 1.879 -7.200 1.00 10.00 H new ATOM 825 N ALA A 54 6.407 4.910 -5.635 1.00 10.00 N ATOM 826 CA ALA A 54 5.156 5.532 -5.244 1.00 10.00 C ATOM 827 C ALA A 54 5.243 7.045 -5.400 1.00 10.00 C ATOM 828 O ALA A 54 6.101 7.683 -4.789 1.00 10.00 O ATOM 829 CB ALA A 54 4.809 5.166 -3.808 1.00 10.00 C ATOM 0 H ALA A 54 7.133 4.940 -4.919 1.00 10.00 H new ATOM 0 HA ALA A 54 4.366 5.162 -5.897 1.00 10.00 H new ATOM 0 HB1 ALA A 54 3.868 5.640 -3.529 1.00 10.00 H new ATOM 0 HB2 ALA A 54 4.710 4.084 -3.722 1.00 10.00 H new ATOM 0 HB3 ALA A 54 5.601 5.512 -3.143 1.00 10.00 H new ATOM 835 N PRO A 55 4.372 7.632 -6.236 1.00 10.00 N ATOM 836 CA PRO A 55 4.346 9.082 -6.461 1.00 10.00 C ATOM 837 C PRO A 55 4.089 9.854 -5.172 1.00 10.00 C ATOM 838 O PRO A 55 3.316 9.411 -4.321 1.00 10.00 O ATOM 839 CB PRO A 55 3.180 9.277 -7.433 1.00 10.00 C ATOM 840 CG PRO A 55 2.962 7.947 -8.061 1.00 10.00 C ATOM 841 CD PRO A 55 3.354 6.930 -7.033 1.00 10.00 C ATOM 0 HA PRO A 55 5.299 9.452 -6.841 1.00 10.00 H new ATOM 0 HB2 PRO A 55 2.286 9.616 -6.910 1.00 10.00 H new ATOM 0 HB3 PRO A 55 3.416 10.032 -8.183 1.00 10.00 H new ATOM 0 HG2 PRO A 55 1.920 7.822 -8.355 1.00 10.00 H new ATOM 0 HG3 PRO A 55 3.563 7.840 -8.964 1.00 10.00 H new ATOM 0 HD2 PRO A 55 2.504 6.626 -6.422 1.00 10.00 H new ATOM 0 HD3 PRO A 55 3.755 6.027 -7.493 1.00 10.00 H new ATOM 849 N LYS A 56 4.720 11.018 -5.047 1.00 10.00 N ATOM 850 CA LYS A 56 4.582 11.863 -3.861 1.00 10.00 C ATOM 851 C LYS A 56 3.118 12.174 -3.553 1.00 10.00 C ATOM 852 O LYS A 56 2.732 12.275 -2.390 1.00 10.00 O ATOM 853 CB LYS A 56 5.358 13.167 -4.049 1.00 10.00 C ATOM 854 CG LYS A 56 6.854 12.968 -4.224 1.00 10.00 C ATOM 855 CD LYS A 56 7.538 14.262 -4.637 1.00 10.00 C ATOM 856 CE LYS A 56 9.024 14.057 -4.860 1.00 10.00 C ATOM 857 NZ LYS A 56 9.672 15.267 -5.426 1.00 10.00 N ATOM 0 H LYS A 56 5.339 11.402 -5.761 1.00 10.00 H new ATOM 0 HA LYS A 56 4.993 11.311 -3.016 1.00 10.00 H new ATOM 0 HB2 LYS A 56 4.966 13.690 -4.921 1.00 10.00 H new ATOM 0 HB3 LYS A 56 5.184 13.810 -3.186 1.00 10.00 H new ATOM 0 HG2 LYS A 56 7.287 12.607 -3.291 1.00 10.00 H new ATOM 0 HG3 LYS A 56 7.036 12.201 -4.977 1.00 10.00 H new ATOM 0 HD2 LYS A 56 7.081 14.641 -5.551 1.00 10.00 H new ATOM 0 HD3 LYS A 56 7.385 15.018 -3.867 1.00 10.00 H new ATOM 0 HE2 LYS A 56 9.501 13.799 -3.914 1.00 10.00 H new ATOM 0 HE3 LYS A 56 9.177 13.214 -5.534 1.00 10.00 H new ATOM 0 HZ1 LYS A 56 10.687 15.085 -5.563 1.00 10.00 H new ATOM 0 HZ2 LYS A 56 9.235 15.499 -6.341 1.00 10.00 H new ATOM 0 HZ3 LYS A 56 9.549 16.065 -4.771 1.00 10.00 H new ATOM 871 N GLU A 57 2.310 12.316 -4.600 1.00 10.00 N ATOM 872 CA GLU A 57 0.890 12.605 -4.448 1.00 10.00 C ATOM 873 C GLU A 57 0.216 11.549 -3.574 1.00 10.00 C ATOM 874 O GLU A 57 -0.564 11.873 -2.675 1.00 10.00 O ATOM 875 CB GLU A 57 0.217 12.657 -5.822 1.00 10.00 C ATOM 876 CG GLU A 57 -1.260 13.009 -5.764 1.00 10.00 C ATOM 877 CD GLU A 57 -1.935 12.906 -7.114 1.00 10.00 C ATOM 878 OE1 GLU A 57 -1.933 11.806 -7.701 1.00 10.00 O ATOM 879 OE2 GLU A 57 -2.479 13.922 -7.593 1.00 10.00 O ATOM 0 H GLU A 57 2.619 12.235 -5.569 1.00 10.00 H new ATOM 0 HA GLU A 57 0.784 13.574 -3.961 1.00 10.00 H new ATOM 0 HB2 GLU A 57 0.732 13.390 -6.442 1.00 10.00 H new ATOM 0 HB3 GLU A 57 0.332 11.689 -6.310 1.00 10.00 H new ATOM 0 HG2 GLU A 57 -1.761 12.345 -5.060 1.00 10.00 H new ATOM 0 HG3 GLU A 57 -1.373 14.023 -5.381 1.00 10.00 H new ATOM 886 N LEU A 58 0.548 10.289 -3.827 1.00 10.00 N ATOM 887 CA LEU A 58 -0.020 9.174 -3.076 1.00 10.00 C ATOM 888 C LEU A 58 0.793 8.900 -1.817 1.00 10.00 C ATOM 889 O LEU A 58 0.260 8.435 -0.810 1.00 10.00 O ATOM 890 CB LEU A 58 -0.067 7.920 -3.949 1.00 10.00 C ATOM 891 CG LEU A 58 -0.870 8.065 -5.243 1.00 10.00 C ATOM 892 CD1 LEU A 58 -0.618 6.881 -6.162 1.00 10.00 C ATOM 893 CD2 LEU A 58 -2.356 8.201 -4.941 1.00 10.00 C ATOM 0 H LEU A 58 1.211 10.012 -4.551 1.00 10.00 H new ATOM 0 HA LEU A 58 -1.034 9.443 -2.781 1.00 10.00 H new ATOM 0 HB2 LEU A 58 0.954 7.633 -4.202 1.00 10.00 H new ATOM 0 HB3 LEU A 58 -0.492 7.104 -3.365 1.00 10.00 H new ATOM 0 HG LEU A 58 -0.540 8.971 -5.751 1.00 10.00 H new ATOM 0 HD11 LEU A 58 -1.197 7.001 -7.077 1.00 10.00 H new ATOM 0 HD12 LEU A 58 0.443 6.831 -6.408 1.00 10.00 H new ATOM 0 HD13 LEU A 58 -0.918 5.961 -5.661 1.00 10.00 H new ATOM 0 HD21 LEU A 58 -2.909 8.303 -5.875 1.00 10.00 H new ATOM 0 HD22 LEU A 58 -2.702 7.315 -4.409 1.00 10.00 H new ATOM 0 HD23 LEU A 58 -2.522 9.083 -4.323 1.00 10.00 H new ATOM 905 N LEU A 59 2.088 9.194 -1.887 1.00 10.00 N ATOM 906 CA LEU A 59 2.997 8.994 -0.765 1.00 10.00 C ATOM 907 C LEU A 59 2.583 9.858 0.425 1.00 10.00 C ATOM 908 O LEU A 59 2.742 9.464 1.579 1.00 10.00 O ATOM 909 CB LEU A 59 4.432 9.320 -1.191 1.00 10.00 C ATOM 910 CG LEU A 59 5.535 8.684 -0.344 1.00 10.00 C ATOM 911 CD1 LEU A 59 5.484 7.166 -0.433 1.00 10.00 C ATOM 912 CD2 LEU A 59 6.896 9.200 -0.777 1.00 10.00 C ATOM 0 H LEU A 59 2.535 9.576 -2.720 1.00 10.00 H new ATOM 0 HA LEU A 59 2.949 7.949 -0.458 1.00 10.00 H new ATOM 0 HB2 LEU A 59 4.565 9.003 -2.225 1.00 10.00 H new ATOM 0 HB3 LEU A 59 4.561 10.402 -1.170 1.00 10.00 H new ATOM 0 HG LEU A 59 5.371 8.965 0.696 1.00 10.00 H new ATOM 0 HD11 LEU A 59 6.279 6.739 0.178 1.00 10.00 H new ATOM 0 HD12 LEU A 59 4.518 6.813 -0.071 1.00 10.00 H new ATOM 0 HD13 LEU A 59 5.618 6.858 -1.470 1.00 10.00 H new ATOM 0 HD21 LEU A 59 7.671 8.739 -0.165 1.00 10.00 H new ATOM 0 HD22 LEU A 59 7.063 8.950 -1.825 1.00 10.00 H new ATOM 0 HD23 LEU A 59 6.931 10.282 -0.652 1.00 10.00 H new ATOM 924 N GLN A 60 2.050 11.039 0.131 1.00 10.00 N ATOM 925 CA GLN A 60 1.592 11.953 1.167 1.00 10.00 C ATOM 926 C GLN A 60 0.351 11.382 1.852 1.00 10.00 C ATOM 927 O GLN A 60 0.159 11.542 3.056 1.00 10.00 O ATOM 928 CB GLN A 60 1.280 13.328 0.566 1.00 10.00 C ATOM 929 CG GLN A 60 0.780 14.344 1.583 1.00 10.00 C ATOM 930 CD GLN A 60 1.779 14.616 2.696 1.00 10.00 C ATOM 931 OE1 GLN A 60 1.395 14.832 3.846 1.00 10.00 O ATOM 932 NE2 GLN A 60 3.063 14.626 2.366 1.00 10.00 N ATOM 0 H GLN A 60 1.925 11.385 -0.820 1.00 10.00 H new ATOM 0 HA GLN A 60 2.383 12.071 1.907 1.00 10.00 H new ATOM 0 HB2 GLN A 60 2.179 13.718 0.089 1.00 10.00 H new ATOM 0 HB3 GLN A 60 0.529 13.211 -0.216 1.00 10.00 H new ATOM 0 HG2 GLN A 60 0.552 15.279 1.071 1.00 10.00 H new ATOM 0 HG3 GLN A 60 -0.152 13.984 2.019 1.00 10.00 H new ATOM 0 HE21 GLN A 60 3.343 14.442 1.403 1.00 10.00 H new ATOM 0 HE22 GLN A 60 3.770 14.817 3.075 1.00 10.00 H new ATOM 941 N MET A 61 -0.479 10.696 1.074 1.00 10.00 N ATOM 942 CA MET A 61 -1.698 10.090 1.598 1.00 10.00 C ATOM 943 C MET A 61 -1.343 8.967 2.563 1.00 10.00 C ATOM 944 O MET A 61 -2.043 8.732 3.548 1.00 10.00 O ATOM 945 CB MET A 61 -2.563 9.542 0.457 1.00 10.00 C ATOM 946 CG MET A 61 -3.032 10.609 -0.520 1.00 10.00 C ATOM 947 SD MET A 61 -3.900 9.918 -1.946 1.00 10.00 S ATOM 948 CE MET A 61 -5.403 9.327 -1.174 1.00 10.00 C ATOM 0 H MET A 61 -0.330 10.545 0.076 1.00 10.00 H new ATOM 0 HA MET A 61 -2.266 10.855 2.127 1.00 10.00 H new ATOM 0 HB2 MET A 61 -1.995 8.787 -0.087 1.00 10.00 H new ATOM 0 HB3 MET A 61 -3.434 9.042 0.881 1.00 10.00 H new ATOM 0 HG2 MET A 61 -3.691 11.306 -0.002 1.00 10.00 H new ATOM 0 HG3 MET A 61 -2.172 11.182 -0.866 1.00 10.00 H new ATOM 0 HE1 MET A 61 -6.124 9.052 -1.944 1.00 10.00 H new ATOM 0 HE2 MET A 61 -5.178 8.455 -0.560 1.00 10.00 H new ATOM 0 HE3 MET A 61 -5.824 10.114 -0.548 1.00 10.00 H new ATOM 958 N LEU A 62 -0.230 8.295 2.284 1.00 10.00 N ATOM 959 CA LEU A 62 0.239 7.197 3.117 1.00 10.00 C ATOM 960 C LEU A 62 0.674 7.699 4.489 1.00 10.00 C ATOM 961 O LEU A 62 0.763 6.924 5.440 1.00 10.00 O ATOM 962 CB LEU A 62 1.384 6.461 2.425 1.00 10.00 C ATOM 963 CG LEU A 62 0.974 5.682 1.175 1.00 10.00 C ATOM 964 CD1 LEU A 62 2.196 5.155 0.444 1.00 10.00 C ATOM 965 CD2 LEU A 62 0.043 4.540 1.543 1.00 10.00 C ATOM 0 H LEU A 62 0.366 8.495 1.481 1.00 10.00 H new ATOM 0 HA LEU A 62 -0.587 6.500 3.262 1.00 10.00 H new ATOM 0 HB2 LEU A 62 2.151 7.185 2.151 1.00 10.00 H new ATOM 0 HB3 LEU A 62 1.837 5.770 3.136 1.00 10.00 H new ATOM 0 HG LEU A 62 0.444 6.362 0.508 1.00 10.00 H new ATOM 0 HD11 LEU A 62 1.880 4.604 -0.442 1.00 10.00 H new ATOM 0 HD12 LEU A 62 2.830 5.990 0.145 1.00 10.00 H new ATOM 0 HD13 LEU A 62 2.756 4.492 1.103 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -0.239 3.996 0.642 1.00 10.00 H new ATOM 0 HD22 LEU A 62 0.551 3.864 2.231 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -0.852 4.939 2.021 1.00 10.00 H new ATOM 977 N GLU A 63 0.954 8.991 4.584 1.00 10.00 N ATOM 978 CA GLU A 63 1.348 9.597 5.846 1.00 10.00 C ATOM 979 C GLU A 63 0.114 9.836 6.705 1.00 10.00 C ATOM 980 O GLU A 63 0.187 9.869 7.931 1.00 10.00 O ATOM 981 CB GLU A 63 2.076 10.919 5.604 1.00 10.00 C ATOM 982 CG GLU A 63 3.567 10.765 5.372 1.00 10.00 C ATOM 983 CD GLU A 63 4.321 10.444 6.642 1.00 10.00 C ATOM 984 OE1 GLU A 63 4.282 11.261 7.584 1.00 10.00 O ATOM 985 OE2 GLU A 63 4.961 9.372 6.710 1.00 10.00 O ATOM 0 H GLU A 63 0.915 9.641 3.799 1.00 10.00 H new ATOM 0 HA GLU A 63 2.026 8.919 6.364 1.00 10.00 H new ATOM 0 HB2 GLU A 63 1.633 11.414 4.740 1.00 10.00 H new ATOM 0 HB3 GLU A 63 1.917 11.573 6.462 1.00 10.00 H new ATOM 0 HG2 GLU A 63 3.738 9.974 4.642 1.00 10.00 H new ATOM 0 HG3 GLU A 63 3.961 11.686 4.942 1.00 10.00 H new ATOM 992 N LYS A 64 -1.023 9.983 6.041 1.00 10.00 N ATOM 993 CA LYS A 64 -2.287 10.225 6.718 1.00 10.00 C ATOM 994 C LYS A 64 -2.883 8.920 7.234 1.00 10.00 C ATOM 995 O LYS A 64 -3.662 8.915 8.188 1.00 10.00 O ATOM 996 CB LYS A 64 -3.269 10.914 5.766 1.00 10.00 C ATOM 997 CG LYS A 64 -2.759 12.237 5.216 1.00 10.00 C ATOM 998 CD LYS A 64 -3.745 12.847 4.235 1.00 10.00 C ATOM 999 CE LYS A 64 -3.272 14.207 3.748 1.00 10.00 C ATOM 1000 NZ LYS A 64 -4.312 14.919 2.958 1.00 10.00 N ATOM 0 H LYS A 64 -1.095 9.938 5.025 1.00 10.00 H new ATOM 0 HA LYS A 64 -2.101 10.877 7.571 1.00 10.00 H new ATOM 0 HB2 LYS A 64 -3.486 10.244 4.934 1.00 10.00 H new ATOM 0 HB3 LYS A 64 -4.209 11.086 6.290 1.00 10.00 H new ATOM 0 HG2 LYS A 64 -2.585 12.931 6.038 1.00 10.00 H new ATOM 0 HG3 LYS A 64 -1.800 12.082 4.721 1.00 10.00 H new ATOM 0 HD2 LYS A 64 -3.874 12.179 3.384 1.00 10.00 H new ATOM 0 HD3 LYS A 64 -4.720 12.948 4.712 1.00 10.00 H new ATOM 0 HE2 LYS A 64 -2.988 14.818 4.605 1.00 10.00 H new ATOM 0 HE3 LYS A 64 -2.378 14.081 3.137 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 -3.942 15.841 2.648 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 -4.565 14.350 2.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 -5.156 15.065 3.547 1.00 10.00 H new ATOM 1014 N GLN A 65 -2.515 7.816 6.597 1.00 10.00 N ATOM 1015 CA GLN A 65 -3.007 6.503 6.994 1.00 10.00 C ATOM 1016 C GLN A 65 -1.914 5.714 7.708 1.00 10.00 C ATOM 1017 O GLN A 65 -2.086 4.537 8.028 1.00 10.00 O ATOM 1018 CB GLN A 65 -3.504 5.722 5.774 1.00 10.00 C ATOM 1019 CG GLN A 65 -4.693 6.368 5.075 1.00 10.00 C ATOM 1020 CD GLN A 65 -5.884 6.556 5.997 1.00 10.00 C ATOM 1021 OE1 GLN A 65 -6.033 7.599 6.630 1.00 10.00 O ATOM 1022 NE2 GLN A 65 -6.743 5.550 6.073 1.00 10.00 N ATOM 0 H GLN A 65 -1.876 7.804 5.802 1.00 10.00 H new ATOM 0 HA GLN A 65 -3.841 6.647 7.681 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -2.686 5.621 5.061 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -3.781 4.715 6.087 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.392 7.336 4.675 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.989 5.751 4.227 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -6.583 4.701 5.531 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -7.564 5.625 6.673 1.00 10.00 H new ATOM 1031 N LYS A 66 -0.787 6.368 7.954 1.00 10.00 N ATOM 1032 CA LYS A 66 0.338 5.735 8.630 1.00 10.00 C ATOM 1033 C LYS A 66 0.030 5.547 10.108 1.00 10.00 C ATOM 1034 O LYS A 66 -0.468 6.462 10.769 1.00 10.00 O ATOM 1035 CB LYS A 66 1.600 6.576 8.460 1.00 10.00 C ATOM 1036 CG LYS A 66 2.862 5.903 8.987 1.00 10.00 C ATOM 1037 CD LYS A 66 4.088 6.781 8.801 1.00 10.00 C ATOM 1038 CE LYS A 66 3.967 8.089 9.563 1.00 10.00 C ATOM 1039 NZ LYS A 66 5.171 8.941 9.395 1.00 10.00 N ATOM 0 H LYS A 66 -0.627 7.341 7.694 1.00 10.00 H new ATOM 0 HA LYS A 66 0.506 4.756 8.180 1.00 10.00 H new ATOM 0 HB2 LYS A 66 1.735 6.803 7.402 1.00 10.00 H new ATOM 0 HB3 LYS A 66 1.464 7.527 8.975 1.00 10.00 H new ATOM 0 HG2 LYS A 66 2.737 5.673 10.045 1.00 10.00 H new ATOM 0 HG3 LYS A 66 3.012 4.955 8.470 1.00 10.00 H new ATOM 0 HD2 LYS A 66 4.974 6.244 9.139 1.00 10.00 H new ATOM 0 HD3 LYS A 66 4.228 6.990 7.740 1.00 10.00 H new ATOM 0 HE2 LYS A 66 3.087 8.631 9.216 1.00 10.00 H new ATOM 0 HE3 LYS A 66 3.815 7.880 10.622 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 4.973 9.897 9.754 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 5.965 8.529 9.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 5.420 8.995 8.387 1.00 10.00 H new ATOM 1053 N LYS A 67 0.332 4.363 10.623 1.00 10.00 N ATOM 1054 CA LYS A 67 0.072 4.049 12.022 1.00 10.00 C ATOM 1055 C LYS A 67 1.250 3.293 12.624 1.00 10.00 C ATOM 1056 O LYS A 67 2.029 2.667 11.898 1.00 10.00 O ATOM 1057 CB LYS A 67 -1.212 3.220 12.152 1.00 10.00 C ATOM 1058 CG LYS A 67 -2.454 3.940 11.644 1.00 10.00 C ATOM 1059 CD LYS A 67 -3.682 3.046 11.671 1.00 10.00 C ATOM 1060 CE LYS A 67 -4.901 3.766 11.115 1.00 10.00 C ATOM 1061 NZ LYS A 67 -6.078 2.865 11.022 1.00 10.00 N ATOM 0 H LYS A 67 0.758 3.603 10.093 1.00 10.00 H new ATOM 0 HA LYS A 67 -0.058 4.983 12.568 1.00 10.00 H new ATOM 0 HB2 LYS A 67 -1.091 2.288 11.600 1.00 10.00 H new ATOM 0 HB3 LYS A 67 -1.359 2.954 13.199 1.00 10.00 H new ATOM 0 HG2 LYS A 67 -2.636 4.824 12.255 1.00 10.00 H new ATOM 0 HG3 LYS A 67 -2.281 4.287 10.625 1.00 10.00 H new ATOM 0 HD2 LYS A 67 -3.492 2.145 11.088 1.00 10.00 H new ATOM 0 HD3 LYS A 67 -3.880 2.727 12.694 1.00 10.00 H new ATOM 0 HE2 LYS A 67 -5.143 4.616 11.753 1.00 10.00 H new ATOM 0 HE3 LYS A 67 -4.669 4.164 10.127 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 -6.941 3.433 10.904 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 -5.966 2.231 10.205 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 -6.152 2.300 11.892 1.00 10.00 H new ATOM 1105 N GLU B 6 -1.854 -13.072 -0.104 1.00 10.00 N ATOM 1106 CA GLU B 6 -0.846 -12.287 -0.798 1.00 10.00 C ATOM 1107 C GLU B 6 0.486 -12.393 -0.069 1.00 10.00 C ATOM 1108 O GLU B 6 0.525 -12.350 1.164 1.00 10.00 O ATOM 1109 CB GLU B 6 -1.288 -10.825 -0.896 1.00 10.00 C ATOM 1110 CG GLU B 6 -2.776 -10.662 -1.150 1.00 10.00 C ATOM 1111 CD GLU B 6 -3.118 -9.336 -1.786 1.00 10.00 C ATOM 1112 OE1 GLU B 6 -2.954 -8.293 -1.121 1.00 10.00 O ATOM 1113 OE2 GLU B 6 -3.563 -9.334 -2.956 1.00 10.00 O ATOM 0 HA GLU B 6 -0.725 -12.678 -1.808 1.00 10.00 H new ATOM 0 HB2 GLU B 6 -1.026 -10.311 0.029 1.00 10.00 H new ATOM 0 HB3 GLU B 6 -0.734 -10.338 -1.699 1.00 10.00 H new ATOM 0 HG2 GLU B 6 -3.120 -11.469 -1.796 1.00 10.00 H new ATOM 0 HG3 GLU B 6 -3.314 -10.757 -0.207 1.00 10.00 H new ATOM 1120 N GLU B 7 1.572 -12.537 -0.821 1.00 10.00 N ATOM 1121 CA GLU B 7 2.899 -12.666 -0.232 1.00 10.00 C ATOM 1122 C GLU B 7 3.916 -11.792 -0.954 1.00 10.00 C ATOM 1123 O GLU B 7 3.740 -11.451 -2.128 1.00 10.00 O ATOM 1124 CB GLU B 7 3.350 -14.123 -0.263 1.00 10.00 C ATOM 1125 CG GLU B 7 2.669 -14.992 0.784 1.00 10.00 C ATOM 1126 CD GLU B 7 3.004 -16.458 0.633 1.00 10.00 C ATOM 1127 OE1 GLU B 7 4.171 -16.835 0.870 1.00 10.00 O ATOM 1128 OE2 GLU B 7 2.094 -17.248 0.300 1.00 10.00 O ATOM 0 H GLU B 7 1.559 -12.567 -1.840 1.00 10.00 H new ATOM 0 HA GLU B 7 2.838 -12.329 0.803 1.00 10.00 H new ATOM 0 HB2 GLU B 7 3.150 -14.536 -1.252 1.00 10.00 H new ATOM 0 HB3 GLU B 7 4.429 -14.164 -0.112 1.00 10.00 H new ATOM 0 HG2 GLU B 7 2.966 -14.656 1.778 1.00 10.00 H new ATOM 0 HG3 GLU B 7 1.589 -14.861 0.712 1.00 10.00 H new ATOM 1135 N GLU B 8 4.980 -11.438 -0.242 1.00 10.00 N ATOM 1136 CA GLU B 8 6.039 -10.594 -0.785 1.00 10.00 C ATOM 1137 C GLU B 8 7.406 -11.137 -0.403 1.00 10.00 C ATOM 1138 O GLU B 8 7.535 -12.282 0.035 1.00 10.00 O ATOM 1139 CB GLU B 8 5.917 -9.173 -0.245 1.00 10.00 C ATOM 1140 CG GLU B 8 4.518 -8.605 -0.296 1.00 10.00 C ATOM 1141 CD GLU B 8 4.517 -7.106 -0.137 1.00 10.00 C ATOM 1142 OE1 GLU B 8 4.308 -6.404 -1.146 1.00 10.00 O ATOM 1143 OE2 GLU B 8 4.744 -6.632 0.998 1.00 10.00 O ATOM 0 H GLU B 8 5.133 -11.726 0.724 1.00 10.00 H new ATOM 0 HA GLU B 8 5.935 -10.590 -1.870 1.00 10.00 H new ATOM 0 HB2 GLU B 8 6.265 -9.159 0.788 1.00 10.00 H new ATOM 0 HB3 GLU B 8 6.581 -8.523 -0.814 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.052 -8.870 -1.245 1.00 10.00 H new ATOM 0 HG3 GLU B 8 3.914 -9.055 0.492 1.00 10.00 H new ATOM 1150 N GLY B 9 8.419 -10.293 -0.552 1.00 10.00 N ATOM 1151 CA GLY B 9 9.770 -10.677 -0.212 1.00 10.00 C ATOM 1152 C GLY B 9 10.797 -9.796 -0.885 1.00 10.00 C ATOM 1153 O GLY B 9 11.333 -10.148 -1.937 1.00 10.00 O ATOM 0 H GLY B 9 8.324 -9.341 -0.906 1.00 10.00 H new ATOM 0 HA2 GLY B 9 9.900 -10.625 0.869 1.00 10.00 H new ATOM 0 HA3 GLY B 9 9.936 -11.714 -0.503 1.00 10.00 H new ATOM 1157 N GLU B 10 11.054 -8.641 -0.291 1.00 10.00 N ATOM 1158 CA GLU B 10 12.027 -7.706 -0.829 1.00 10.00 C ATOM 1159 C GLU B 10 13.273 -7.702 0.037 1.00 10.00 C ATOM 1160 O GLU B 10 13.189 -7.601 1.262 1.00 10.00 O ATOM 1161 CB GLU B 10 11.450 -6.287 -0.906 1.00 10.00 C ATOM 1162 CG GLU B 10 11.556 -5.665 -2.286 1.00 10.00 C ATOM 1163 CD GLU B 10 11.033 -6.570 -3.380 1.00 10.00 C ATOM 1164 OE1 GLU B 10 11.854 -7.232 -4.044 1.00 10.00 O ATOM 1165 OE2 GLU B 10 9.804 -6.608 -3.596 1.00 10.00 O ATOM 0 H GLU B 10 10.600 -8.329 0.567 1.00 10.00 H new ATOM 0 HA GLU B 10 12.282 -8.028 -1.839 1.00 10.00 H new ATOM 0 HB2 GLU B 10 10.402 -6.313 -0.607 1.00 10.00 H new ATOM 0 HB3 GLU B 10 11.971 -5.652 -0.189 1.00 10.00 H new ATOM 0 HG2 GLU B 10 11.001 -4.727 -2.300 1.00 10.00 H new ATOM 0 HG3 GLU B 10 12.599 -5.421 -2.490 1.00 10.00 H new ATOM 1172 N GLU B 11 14.426 -7.834 -0.591 1.00 10.00 N ATOM 1173 CA GLU B 11 15.674 -7.829 0.138 1.00 10.00 C ATOM 1174 C GLU B 11 16.062 -6.402 0.496 1.00 10.00 C ATOM 1175 O GLU B 11 16.361 -5.591 -0.383 1.00 10.00 O ATOM 1176 CB GLU B 11 16.779 -8.488 -0.679 1.00 10.00 C ATOM 1177 CG GLU B 11 17.998 -8.845 0.147 1.00 10.00 C ATOM 1178 CD GLU B 11 17.676 -9.835 1.246 1.00 10.00 C ATOM 1179 OE1 GLU B 11 17.058 -9.433 2.257 1.00 10.00 O ATOM 1180 OE2 GLU B 11 18.038 -11.019 1.110 1.00 10.00 O ATOM 0 H GLU B 11 14.522 -7.945 -1.600 1.00 10.00 H new ATOM 0 HA GLU B 11 15.541 -8.401 1.056 1.00 10.00 H new ATOM 0 HB2 GLU B 11 16.387 -9.391 -1.146 1.00 10.00 H new ATOM 0 HB3 GLU B 11 17.077 -7.816 -1.484 1.00 10.00 H new ATOM 0 HG2 GLU B 11 18.765 -9.264 -0.504 1.00 10.00 H new ATOM 0 HG3 GLU B 11 18.414 -7.939 0.587 1.00 10.00 H new ATOM 1187 N TYR B 12 16.048 -6.103 1.786 1.00 10.00 N ATOM 1188 CA TYR B 12 16.392 -4.771 2.267 1.00 10.00 C ATOM 1189 C TYR B 12 17.903 -4.564 2.268 1.00 10.00 C ATOM 1190 O TYR B 12 18.656 -5.441 1.837 1.00 10.00 O ATOM 1191 CB TYR B 12 15.840 -4.551 3.676 1.00 10.00 C ATOM 1192 CG TYR B 12 15.177 -3.205 3.854 1.00 10.00 C ATOM 1193 CD1 TYR B 12 15.689 -2.073 3.231 1.00 10.00 C ATOM 1194 CD2 TYR B 12 14.039 -3.063 4.640 1.00 10.00 C ATOM 1195 CE1 TYR B 12 15.088 -0.842 3.385 1.00 10.00 C ATOM 1196 CE2 TYR B 12 13.433 -1.832 4.798 1.00 10.00 C ATOM 1197 CZ TYR B 12 13.962 -0.728 4.167 1.00 10.00 C ATOM 1198 OH TYR B 12 13.362 0.498 4.323 1.00 10.00 O ATOM 0 H TYR B 12 15.802 -6.766 2.521 1.00 10.00 H new ATOM 0 HA TYR B 12 15.942 -4.045 1.590 1.00 10.00 H new ATOM 0 HB2 TYR B 12 15.119 -5.336 3.903 1.00 10.00 H new ATOM 0 HB3 TYR B 12 16.653 -4.646 4.396 1.00 10.00 H new ATOM 0 HD1 TYR B 12 16.573 -2.159 2.616 1.00 10.00 H new ATOM 0 HD2 TYR B 12 13.623 -3.928 5.134 1.00 10.00 H new ATOM 0 HE1 TYR B 12 15.499 0.028 2.894 1.00 10.00 H new ATOM 0 HE2 TYR B 12 12.550 -1.736 5.412 1.00 10.00 H new ATOM 0 HH TYR B 12 13.169 0.649 5.272 1.00 10.00 H new