USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 7 THR OG1 : rot 170:sc= 0.532 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.43 (180deg=2.29) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0293) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.03 (180deg=-0.0146!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.19 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= 0.656 (180deg=0.0572) USER MOD Single : A 40 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.294 K(o=0.29,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00816 X(o=-0.0082,f=0) USER MOD Single : A 55 THR OG1 : rot -55:sc= 1.17 USER MOD Single : A 57 SER OG : rot 59:sc= 0.138 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.86 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc=-0.00171 (180deg=-0.178) USER MOD Single : A 65 SER OG : rot -125:sc= 0.569 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.640 -7.245 -4.626 1.00 9.67 N ATOM 2 CA MET A 1 11.602 -7.671 -3.180 1.00 10.38 C ATOM 3 C MET A 1 10.228 -7.978 -2.772 1.00 9.62 C ATOM 4 O MET A 1 9.222 -7.690 -3.394 1.00 9.62 O ATOM 5 CB MET A 1 12.164 -6.594 -2.243 1.00 13.77 C ATOM 6 CG MET A 1 11.271 -5.405 -1.864 1.00 16.29 C ATOM 7 SD MET A 1 12.196 -4.148 -1.103 1.00 17.17 S ATOM 8 CE MET A 1 10.814 -2.924 -0.982 1.00 16.11 C ATOM 0 H1 MET A 1 12.609 -7.341 -4.991 1.00 9.67 H new ATOM 0 H2 MET A 1 10.999 -7.846 -5.182 1.00 9.67 H new ATOM 0 H3 MET A 1 11.338 -6.253 -4.704 1.00 9.67 H new ATOM 0 HA MET A 1 12.228 -8.560 -3.100 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.468 -7.086 -1.319 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.068 -6.195 -2.704 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.784 -5.013 -2.757 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.482 -5.739 -1.190 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.178 -2.010 -0.513 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.442 -2.696 -1.981 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.007 -3.344 -0.381 1.00 16.11 H new ATOM 20 N GLN A 2 10.059 -8.668 -1.637 1.00 9.27 N ATOM 21 CA GLN A 2 8.753 -9.025 -1.045 1.00 9.07 C ATOM 22 C GLN A 2 8.409 -7.956 -0.057 1.00 8.72 C ATOM 23 O GLN A 2 9.214 -7.382 0.658 1.00 8.22 O ATOM 24 CB GLN A 2 8.811 -10.459 -0.427 1.00 14.46 C ATOM 25 CG GLN A 2 7.437 -11.129 -0.045 1.00 17.01 C ATOM 26 CD GLN A 2 7.632 -12.642 0.040 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.010 -13.182 1.115 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.270 -13.345 -1.025 1.00 19.49 N ATOM 0 H GLN A 2 10.847 -9.006 -1.085 1.00 9.27 H new ATOM 0 HA GLN A 2 7.963 -9.069 -1.795 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.321 -11.112 -1.134 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.428 -10.417 0.470 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.080 -10.741 0.909 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.680 -10.888 -0.791 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.971 -12.866 -1.874 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.291 -14.364 -0.994 1.00 19.49 H new ATOM 37 N ILE A 3 7.091 -7.665 0.040 1.00 5.87 N ATOM 38 CA ILE A 3 6.601 -6.975 1.201 1.00 5.07 C ATOM 39 C ILE A 3 5.176 -7.405 1.458 1.00 4.01 C ATOM 40 O ILE A 3 4.675 -8.174 0.613 1.00 4.61 O ATOM 41 CB ILE A 3 6.520 -5.443 1.097 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.548 -5.001 -0.052 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.949 -4.798 0.980 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.303 -3.507 -0.128 1.00 10.83 C ATOM 0 H ILE A 3 6.387 -7.898 -0.660 1.00 5.87 H new ATOM 0 HA ILE A 3 7.322 -7.230 1.978 1.00 5.07 H new ATOM 0 HB ILE A 3 6.091 -5.062 2.024 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.955 -5.339 -1.005 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.592 -5.507 0.083 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.854 -3.714 0.908 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.537 -5.053 1.862 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.448 -5.178 0.089 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.620 -3.292 -0.950 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.864 -3.162 0.808 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.248 -2.991 -0.297 1.00 10.83 H new ATOM 56 N PHE A 4 4.652 -7.064 2.634 1.00 4.55 N ATOM 57 CA PHE A 4 3.419 -7.617 3.126 1.00 4.68 C ATOM 58 C PHE A 4 2.473 -6.475 3.401 1.00 5.30 C ATOM 59 O PHE A 4 2.857 -5.509 4.095 1.00 5.58 O ATOM 60 CB PHE A 4 3.514 -8.315 4.513 1.00 4.83 C ATOM 61 CG PHE A 4 4.539 -9.374 4.477 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.300 -10.606 3.789 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.739 -9.251 5.217 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.228 -11.668 3.876 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.635 -10.357 5.327 1.00 10.61 C ATOM 66 CZ PHE A 4 6.371 -11.540 4.627 1.00 8.90 C ATOM 0 H PHE A 4 5.084 -6.391 3.267 1.00 4.55 H new ATOM 0 HA PHE A 4 3.116 -8.337 2.366 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.763 -7.583 5.281 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.548 -8.742 4.781 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.403 -10.725 3.199 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.978 -8.316 5.701 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.037 -12.590 3.347 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.515 -10.281 5.949 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.072 -12.360 4.678 1.00 8.90 H new ATOM 76 N VAL A 5 1.263 -6.502 2.871 1.00 4.44 N ATOM 77 CA VAL A 5 0.208 -5.534 3.144 1.00 3.87 C ATOM 78 C VAL A 5 -0.764 -6.347 3.979 1.00 4.93 C ATOM 79 O VAL A 5 -1.229 -7.389 3.596 1.00 6.84 O ATOM 80 CB VAL A 5 -0.367 -4.974 1.870 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.643 -4.173 2.186 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.677 -4.039 1.118 1.00 9.13 C ATOM 0 H VAL A 5 0.974 -7.226 2.213 1.00 4.44 H new ATOM 0 HA VAL A 5 0.532 -4.635 3.669 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.605 -5.810 1.213 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.057 -3.769 1.262 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.376 -4.828 2.656 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.400 -3.354 2.863 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.227 -3.653 0.203 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.953 -3.207 1.766 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.568 -4.615 0.869 1.00 9.13 H new ATOM 92 N LYS A 6 -1.109 -5.837 5.202 1.00 6.04 N ATOM 93 CA LYS A 6 -2.090 -6.386 6.153 1.00 6.12 C ATOM 94 C LYS A 6 -3.377 -5.608 6.149 1.00 6.57 C ATOM 95 O LYS A 6 -3.397 -4.394 5.958 1.00 5.76 O ATOM 96 CB LYS A 6 -1.616 -6.402 7.610 1.00 7.45 C ATOM 97 CG LYS A 6 -0.399 -7.257 7.876 1.00 11.12 C ATOM 98 CD LYS A 6 -0.806 -8.719 8.103 1.00 14.54 C ATOM 99 CE LYS A 6 -1.450 -9.154 9.425 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.561 -8.822 10.552 1.00 20.55 N ATOM 0 H LYS A 6 -0.677 -4.984 5.556 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.229 -7.408 5.802 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.397 -5.379 7.916 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.434 -6.755 8.239 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.289 -7.192 7.033 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.132 -6.882 8.751 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.498 -8.987 7.305 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.089 -9.326 7.966 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.412 -8.657 9.551 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.645 -10.226 9.409 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.965 -9.195 11.435 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.375 -9.247 10.393 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.464 -7.789 10.625 1.00 20.55 H new ATOM 114 N THR A 7 -4.537 -6.324 6.264 1.00 7.41 N ATOM 115 CA THR A 7 -5.819 -5.717 6.153 1.00 7.48 C ATOM 116 C THR A 7 -6.462 -5.622 7.549 1.00 8.75 C ATOM 117 O THR A 7 -6.063 -6.392 8.434 1.00 8.58 O ATOM 118 CB THR A 7 -6.785 -6.432 5.238 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.166 -7.676 5.714 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.149 -6.691 3.883 1.00 9.17 C ATOM 0 H THR A 7 -4.566 -7.329 6.435 1.00 7.41 H new ATOM 0 HA THR A 7 -5.637 -4.738 5.710 1.00 7.48 H new ATOM 0 HB THR A 7 -7.651 -5.774 5.175 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.906 -8.021 5.172 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.862 -7.207 3.239 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.868 -5.742 3.426 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.261 -7.310 4.010 1.00 9.17 H new ATOM 128 N LEU A 8 -7.426 -4.734 7.823 1.00 9.84 N ATOM 129 CA LEU A 8 -7.902 -4.564 9.210 1.00 14.15 C ATOM 130 C LEU A 8 -8.785 -5.738 9.663 1.00 17.37 C ATOM 131 O LEU A 8 -8.971 -5.980 10.843 1.00 17.01 O ATOM 132 CB LEU A 8 -8.638 -3.219 9.461 1.00 16.63 C ATOM 133 CG LEU A 8 -7.707 -1.983 9.420 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.525 -0.737 9.717 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.507 -2.132 10.306 1.00 18.59 C ATOM 0 H LEU A 8 -7.882 -4.138 7.132 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.995 -4.548 9.814 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.421 -3.098 8.712 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.130 -3.260 10.433 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.289 -1.887 8.418 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.877 0.139 9.690 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.310 -0.630 8.969 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.976 -0.825 10.706 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.890 -1.236 10.237 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.831 -2.271 11.337 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.926 -2.998 9.989 1.00 18.59 H new ATOM 147 N THR A 9 -9.320 -6.672 8.803 1.00 18.33 N ATOM 148 CA THR A 9 -9.939 -7.974 9.221 1.00 19.24 C ATOM 149 C THR A 9 -8.971 -9.107 9.289 1.00 19.48 C ATOM 150 O THR A 9 -9.336 -10.306 9.554 1.00 23.14 O ATOM 151 CB THR A 9 -11.066 -8.309 8.322 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.630 -8.322 6.935 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.153 -7.257 8.482 1.00 19.70 C ATOM 0 H THR A 9 -9.331 -6.536 7.792 1.00 18.33 H new ATOM 0 HA THR A 9 -10.302 -7.831 10.239 1.00 19.24 H new ATOM 0 HB THR A 9 -11.443 -9.297 8.584 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.388 -8.547 6.356 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.989 -7.494 7.824 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.498 -7.244 9.516 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.752 -6.277 8.221 1.00 19.70 H new ATOM 161 N GLY A 10 -7.687 -8.787 9.135 1.00 19.43 N ATOM 162 CA GLY A 10 -6.605 -9.745 9.391 1.00 18.74 C ATOM 163 C GLY A 10 -6.197 -10.626 8.226 1.00 17.62 C ATOM 164 O GLY A 10 -5.705 -11.726 8.489 1.00 19.74 O ATOM 0 H GLY A 10 -7.366 -7.867 8.833 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.728 -9.190 9.723 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.907 -10.389 10.217 1.00 18.74 H new ATOM 168 N LYS A 11 -6.268 -10.161 6.983 1.00 13.56 N ATOM 169 CA LYS A 11 -5.723 -10.878 5.886 1.00 11.91 C ATOM 170 C LYS A 11 -4.302 -10.311 5.695 1.00 10.18 C ATOM 171 O LYS A 11 -4.024 -9.102 5.902 1.00 9.10 O ATOM 172 CB LYS A 11 -6.562 -10.745 4.595 1.00 13.43 C ATOM 173 CG LYS A 11 -6.005 -11.469 3.423 1.00 16.69 C ATOM 174 CD LYS A 11 -6.933 -11.395 2.194 1.00 17.92 C ATOM 175 CE LYS A 11 -6.509 -12.228 1.015 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.397 -11.903 -0.096 1.00 21.93 N ATOM 0 H LYS A 11 -6.708 -9.276 6.731 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.717 -11.948 6.094 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.568 -11.115 4.791 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.654 -9.688 4.344 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.033 -11.048 3.167 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.840 -12.513 3.689 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.933 -11.705 2.496 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.004 -10.355 1.876 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.472 -12.018 0.751 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.568 -13.290 1.255 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.887 -12.023 -0.994 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.221 -12.537 -0.078 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.716 -10.917 -0.008 1.00 21.93 H new ATOM 190 N THR A 12 -3.402 -11.224 5.325 1.00 9.63 N ATOM 191 CA THR A 12 -2.040 -10.847 4.983 1.00 9.85 C ATOM 192 C THR A 12 -1.942 -11.008 3.445 1.00 11.66 C ATOM 193 O THR A 12 -2.129 -12.086 2.895 1.00 12.33 O ATOM 194 CB THR A 12 -0.992 -11.710 5.687 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.067 -11.677 7.103 1.00 10.91 O ATOM 196 CG2 THR A 12 0.388 -11.331 5.259 1.00 9.63 C ATOM 0 H THR A 12 -3.595 -12.223 5.256 1.00 9.63 H new ATOM 0 HA THR A 12 -1.833 -9.828 5.309 1.00 9.85 H new ATOM 0 HB THR A 12 -1.218 -12.732 5.382 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.369 -12.252 7.481 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.114 -11.960 5.774 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.486 -11.471 4.182 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.572 -10.286 5.508 1.00 9.63 H new ATOM 204 N ILE A 13 -1.810 -9.870 2.771 1.00 10.42 N ATOM 205 CA ILE A 13 -1.553 -9.842 1.314 1.00 11.84 C ATOM 206 C ILE A 13 -0.041 -9.761 0.997 1.00 10.55 C ATOM 207 O ILE A 13 0.729 -8.918 1.538 1.00 11.92 O ATOM 208 CB ILE A 13 -2.188 -8.627 0.716 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.691 -8.565 1.051 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.047 -8.509 -0.840 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.386 -7.248 0.635 1.00 16.46 C ATOM 0 H ILE A 13 -1.875 -8.947 3.201 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.966 -10.762 0.901 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.640 -7.798 1.163 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.195 -9.398 0.560 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.817 -8.704 2.125 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.538 -7.598 -1.182 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.991 -8.475 -1.108 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.514 -9.372 -1.314 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.440 -7.291 0.908 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.913 -6.410 1.146 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.296 -7.114 -0.443 1.00 16.46 H new ATOM 223 N THR A 14 0.458 -10.655 0.142 1.00 9.39 N ATOM 224 CA THR A 14 1.924 -10.810 -0.105 1.00 9.63 C ATOM 225 C THR A 14 2.125 -10.367 -1.553 1.00 11.20 C ATOM 226 O THR A 14 1.376 -10.692 -2.481 1.00 11.63 O ATOM 227 CB THR A 14 2.531 -12.167 0.124 1.00 10.38 C ATOM 228 OG1 THR A 14 2.294 -12.587 1.445 1.00 16.30 O ATOM 229 CG2 THR A 14 4.026 -12.093 0.037 1.00 11.66 C ATOM 0 H THR A 14 -0.122 -11.294 -0.402 1.00 9.39 H new ATOM 0 HA THR A 14 2.449 -10.210 0.638 1.00 9.63 H new ATOM 0 HB THR A 14 2.097 -12.834 -0.621 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.692 -13.472 1.583 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.450 -13.083 0.205 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.316 -11.737 -0.952 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.401 -11.405 0.794 1.00 11.66 H new ATOM 237 N LEU A 15 3.115 -9.411 -1.718 1.00 8.29 N ATOM 238 CA LEU A 15 3.403 -8.723 -2.965 1.00 9.03 C ATOM 239 C LEU A 15 4.844 -9.059 -3.367 1.00 8.59 C ATOM 240 O LEU A 15 5.716 -9.349 -2.569 1.00 7.79 O ATOM 241 CB LEU A 15 3.460 -7.162 -2.849 1.00 11.08 C ATOM 242 CG LEU A 15 2.122 -6.539 -2.336 1.00 15.79 C ATOM 243 CD1 LEU A 15 2.128 -4.997 -2.312 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.918 -7.068 -3.067 1.00 15.27 C ATOM 0 H LEU A 15 3.724 -9.119 -0.954 1.00 8.29 H new ATOM 0 HA LEU A 15 2.611 -9.032 -3.647 1.00 9.03 H new ATOM 0 HB2 LEU A 15 4.267 -6.883 -2.172 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.701 -6.739 -3.824 1.00 11.08 H new ATOM 0 HG LEU A 15 2.044 -6.863 -1.298 1.00 15.79 H new ATOM 0 HD11 LEU A 15 1.167 -4.635 -1.945 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.923 -4.646 -1.654 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.298 -4.618 -3.320 1.00 15.88 H new ATOM 0 HD21 LEU A 15 0.017 -6.601 -2.670 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.007 -6.839 -4.129 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.856 -8.148 -2.933 1.00 15.27 H new ATOM 256 N GLU A 16 5.028 -8.820 -4.627 1.00 11.04 N ATOM 257 CA GLU A 16 6.330 -8.535 -5.259 1.00 11.50 C ATOM 258 C GLU A 16 6.419 -7.062 -5.700 1.00 10.13 C ATOM 259 O GLU A 16 5.548 -6.619 -6.458 1.00 9.83 O ATOM 260 CB GLU A 16 6.639 -9.465 -6.511 1.00 17.22 C ATOM 261 CG GLU A 16 7.985 -9.222 -7.202 1.00 23.33 C ATOM 262 CD GLU A 16 9.122 -9.594 -6.246 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.041 -10.463 -5.320 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.136 -8.803 -6.253 1.00 28.90 O ATOM 0 H GLU A 16 4.257 -8.812 -5.295 1.00 11.04 H new ATOM 0 HA GLU A 16 7.077 -8.746 -4.494 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.600 -10.505 -6.186 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.845 -9.331 -7.245 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.051 -9.817 -8.113 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.071 -8.176 -7.498 1.00 23.33 H new ATOM 271 N VAL A 17 7.434 -6.390 -5.166 1.00 8.99 N ATOM 272 CA VAL A 17 7.561 -4.897 -5.391 1.00 8.85 C ATOM 273 C VAL A 17 9.034 -4.538 -5.672 1.00 8.04 C ATOM 274 O VAL A 17 9.998 -5.199 -5.221 1.00 8.99 O ATOM 275 CB VAL A 17 7.028 -4.021 -4.269 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.463 -4.067 -4.187 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.638 -4.359 -2.903 1.00 10.54 C ATOM 0 H VAL A 17 8.168 -6.806 -4.593 1.00 8.99 H new ATOM 0 HA VAL A 17 6.926 -4.682 -6.250 1.00 8.85 H new ATOM 0 HB VAL A 17 7.335 -3.006 -4.521 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.122 -3.428 -3.372 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.039 -3.714 -5.127 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.138 -5.091 -4.004 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.218 -3.700 -2.144 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.412 -5.395 -2.650 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.719 -4.223 -2.943 1.00 10.54 H new ATOM 287 N GLU A 18 9.293 -3.361 -6.298 1.00 7.29 N ATOM 288 CA GLU A 18 10.653 -2.831 -6.502 1.00 7.08 C ATOM 289 C GLU A 18 10.653 -1.500 -5.702 1.00 6.45 C ATOM 290 O GLU A 18 9.636 -0.819 -5.694 1.00 5.28 O ATOM 291 CB GLU A 18 11.117 -2.475 -7.926 1.00 10.28 C ATOM 292 CG GLU A 18 11.268 -3.766 -8.757 1.00 12.65 C ATOM 293 CD GLU A 18 12.496 -4.581 -8.287 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.627 -4.013 -8.245 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.363 -5.770 -8.007 1.00 18.17 O ATOM 0 H GLU A 18 8.561 -2.758 -6.673 1.00 7.29 H new ATOM 0 HA GLU A 18 11.333 -3.629 -6.205 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.396 -1.808 -8.399 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.067 -1.942 -7.888 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.367 -4.372 -8.664 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.375 -3.514 -9.812 1.00 12.65 H new ATOM 302 N PRO A 19 11.767 -1.031 -5.018 1.00 7.24 N ATOM 303 CA PRO A 19 11.680 -0.002 -3.978 1.00 7.07 C ATOM 304 C PRO A 19 11.333 1.346 -4.651 1.00 6.65 C ATOM 305 O PRO A 19 10.859 2.274 -4.051 1.00 6.37 O ATOM 306 CB PRO A 19 13.050 -0.093 -3.250 1.00 7.61 C ATOM 307 CG PRO A 19 14.003 -0.690 -4.324 1.00 8.16 C ATOM 308 CD PRO A 19 13.051 -1.738 -4.946 1.00 7.49 C ATOM 0 HA PRO A 19 10.892 -0.124 -3.234 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.390 0.887 -2.914 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.992 -0.730 -2.368 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.339 0.053 -5.047 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.896 -1.139 -3.890 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.391 -2.055 -5.932 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.982 -2.634 -4.330 1.00 7.49 H new ATOM 316 N SER A 20 11.662 1.455 -5.932 1.00 6.80 N ATOM 317 CA SER A 20 11.521 2.560 -6.882 1.00 6.28 C ATOM 318 C SER A 20 10.085 2.561 -7.552 1.00 8.45 C ATOM 319 O SER A 20 9.840 3.453 -8.377 1.00 7.26 O ATOM 320 CB SER A 20 12.455 2.567 -8.086 1.00 8.57 C ATOM 321 OG SER A 20 13.796 2.472 -7.618 1.00 11.13 O ATOM 0 H SER A 20 12.096 0.657 -6.397 1.00 6.80 H new ATOM 0 HA SER A 20 11.745 3.412 -6.241 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.225 1.733 -8.749 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.320 3.481 -8.665 1.00 8.57 H new ATOM 0 HG SER A 20 14.410 2.474 -8.382 1.00 11.13 H new ATOM 327 N ASP A 21 9.150 1.571 -7.221 1.00 7.50 N ATOM 328 CA ASP A 21 7.713 1.668 -7.427 1.00 7.70 C ATOM 329 C ASP A 21 7.074 2.859 -6.612 1.00 7.08 C ATOM 330 O ASP A 21 7.279 3.149 -5.432 1.00 8.11 O ATOM 331 CB ASP A 21 7.053 0.309 -7.103 1.00 11.00 C ATOM 332 CG ASP A 21 7.346 -0.748 -8.166 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.811 -0.428 -9.277 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.001 -1.955 -7.927 1.00 14.36 O ATOM 0 H ASP A 21 9.427 0.685 -6.798 1.00 7.50 H new ATOM 0 HA ASP A 21 7.525 1.900 -8.475 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.410 -0.044 -6.135 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.975 0.443 -7.015 1.00 11.00 H new ATOM 339 N THR A 22 6.215 3.572 -7.274 1.00 5.37 N ATOM 340 CA THR A 22 5.268 4.477 -6.696 1.00 6.01 C ATOM 341 C THR A 22 4.231 3.739 -5.810 1.00 8.01 C ATOM 342 O THR A 22 3.918 2.539 -6.031 1.00 8.11 O ATOM 343 CB THR A 22 4.608 5.344 -7.721 1.00 8.92 C ATOM 344 OG1 THR A 22 4.017 4.610 -8.788 1.00 10.22 O ATOM 345 CG2 THR A 22 5.647 6.297 -8.304 1.00 9.65 C ATOM 0 H THR A 22 6.152 3.536 -8.291 1.00 5.37 H new ATOM 0 HA THR A 22 5.833 5.143 -6.044 1.00 6.01 H new ATOM 0 HB THR A 22 3.805 5.879 -7.214 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.602 5.231 -9.422 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.177 6.934 -9.053 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.060 6.917 -7.508 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.448 5.722 -8.768 1.00 9.65 H new ATOM 353 N ILE A 23 3.691 4.451 -4.831 1.00 8.32 N ATOM 354 CA ILE A 23 2.677 3.980 -3.929 1.00 9.92 C ATOM 355 C ILE A 23 1.356 3.711 -4.614 1.00 10.01 C ATOM 356 O ILE A 23 0.747 2.709 -4.382 1.00 8.71 O ATOM 357 CB ILE A 23 2.342 4.989 -2.812 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.546 5.328 -1.848 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.106 4.643 -1.925 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.021 4.111 -1.077 1.00 12.30 C ATOM 0 H ILE A 23 3.968 5.415 -4.645 1.00 8.32 H new ATOM 0 HA ILE A 23 3.114 3.067 -3.524 1.00 9.92 H new ATOM 0 HB ILE A 23 2.094 5.864 -3.413 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.373 5.733 -2.431 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.240 6.104 -1.146 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.967 5.422 -1.175 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.216 4.578 -2.551 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.271 3.687 -1.429 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.850 4.392 -0.427 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.202 3.721 -0.472 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.353 3.344 -1.777 1.00 12.30 H new ATOM 372 N GLU A 24 1.039 4.508 -5.633 1.00 9.54 N ATOM 373 CA GLU A 24 0.113 4.265 -6.665 1.00 11.81 C ATOM 374 C GLU A 24 0.135 2.974 -7.302 1.00 11.14 C ATOM 375 O GLU A 24 -0.851 2.270 -7.401 1.00 10.62 O ATOM 376 CB GLU A 24 0.288 5.354 -7.776 1.00 19.24 C ATOM 377 CG GLU A 24 -0.779 5.340 -8.877 1.00 27.76 C ATOM 378 CD GLU A 24 -0.691 6.531 -9.830 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.317 6.645 -10.564 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.641 7.350 -9.740 1.00 34.80 O ATOM 0 H GLU A 24 1.484 5.420 -5.739 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.848 4.300 -6.152 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.287 6.336 -7.303 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.266 5.224 -8.239 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.684 4.418 -9.451 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.766 5.328 -8.415 1.00 27.76 H new ATOM 387 N ASN A 25 1.358 2.536 -7.817 1.00 9.43 N ATOM 388 CA ASN A 25 1.669 1.237 -8.356 1.00 10.96 C ATOM 389 C ASN A 25 1.401 0.036 -7.432 1.00 9.68 C ATOM 390 O ASN A 25 0.895 -0.959 -7.856 1.00 9.33 O ATOM 391 CB ASN A 25 3.117 1.145 -8.852 1.00 16.78 C ATOM 392 CG ASN A 25 3.308 0.008 -9.859 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.133 -0.842 -9.571 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.741 0.042 -11.074 1.00 24.70 N ATOM 0 H ASN A 25 2.167 3.157 -7.845 1.00 9.43 H new ATOM 0 HA ASN A 25 0.964 1.159 -9.184 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.402 2.090 -9.314 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.782 0.992 -8.002 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.998 -0.651 -11.776 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.053 0.761 -11.296 1.00 24.70 H new ATOM 401 N VAL A 26 1.812 0.187 -6.119 1.00 6.52 N ATOM 402 CA VAL A 26 1.352 -0.726 -5.069 1.00 5.53 C ATOM 403 C VAL A 26 -0.170 -0.787 -4.854 1.00 4.42 C ATOM 404 O VAL A 26 -0.733 -1.866 -4.744 1.00 3.40 O ATOM 405 CB VAL A 26 2.129 -0.543 -3.707 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.578 -1.527 -2.722 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.639 -0.666 -4.014 1.00 8.12 C ATOM 0 H VAL A 26 2.444 0.920 -5.797 1.00 6.52 H new ATOM 0 HA VAL A 26 1.609 -1.706 -5.470 1.00 5.53 H new ATOM 0 HB VAL A 26 1.995 0.435 -3.244 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.099 -1.420 -1.771 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.514 -1.339 -2.576 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.719 -2.539 -3.101 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.209 -0.544 -3.093 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.845 -1.648 -4.441 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.930 0.107 -4.725 1.00 8.12 H new ATOM 417 N LYS A 27 -0.977 0.347 -4.804 1.00 2.64 N ATOM 418 CA LYS A 27 -2.418 0.292 -4.713 1.00 4.14 C ATOM 419 C LYS A 27 -3.061 -0.346 -5.882 1.00 5.58 C ATOM 420 O LYS A 27 -3.980 -1.144 -5.793 1.00 4.11 O ATOM 421 CB LYS A 27 -2.972 1.715 -4.455 1.00 3.97 C ATOM 422 CG LYS A 27 -2.767 2.350 -3.058 1.00 7.45 C ATOM 423 CD LYS A 27 -3.259 3.838 -3.012 1.00 9.02 C ATOM 424 CE LYS A 27 -3.139 4.477 -1.625 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.702 5.832 -1.659 1.00 15.47 N ATOM 0 H LYS A 27 -0.605 1.296 -4.828 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.669 -0.353 -3.871 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.524 2.383 -5.191 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.043 1.694 -4.655 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.306 1.767 -2.312 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.711 2.309 -2.792 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.682 4.426 -3.726 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.300 3.879 -3.334 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.666 3.872 -0.887 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.093 4.514 -1.319 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.306 6.392 -0.877 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.463 6.285 -2.564 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.736 5.781 -1.560 1.00 15.47 H new ATOM 439 N ALA A 28 -2.528 0.019 -7.100 1.00 6.61 N ATOM 440 CA ALA A 28 -2.943 -0.613 -8.358 1.00 7.74 C ATOM 441 C ALA A 28 -2.720 -2.101 -8.374 1.00 9.17 C ATOM 442 O ALA A 28 -3.593 -2.853 -8.852 1.00 11.45 O ATOM 443 CB ALA A 28 -2.170 -0.048 -9.549 1.00 7.68 C ATOM 0 H ALA A 28 -1.818 0.743 -7.212 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.009 -0.398 -8.434 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.502 -0.538 -10.464 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.352 1.024 -9.625 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.104 -0.226 -9.409 1.00 7.68 H new ATOM 449 N LYS A 29 -1.659 -2.604 -7.776 1.00 8.96 N ATOM 450 CA LYS A 29 -1.407 -4.022 -7.516 1.00 7.90 C ATOM 451 C LYS A 29 -2.391 -4.719 -6.582 1.00 6.92 C ATOM 452 O LYS A 29 -2.703 -5.932 -6.715 1.00 6.87 O ATOM 453 CB LYS A 29 0.014 -4.325 -7.072 1.00 10.28 C ATOM 454 CG LYS A 29 0.566 -5.724 -7.034 1.00 14.94 C ATOM 455 CD LYS A 29 2.112 -5.713 -6.941 1.00 19.69 C ATOM 456 CE LYS A 29 2.767 -5.488 -8.339 1.00 22.63 C ATOM 457 NZ LYS A 29 4.134 -4.944 -8.247 1.00 24.98 N ATOM 0 H LYS A 29 -0.903 -2.009 -7.437 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.568 -4.448 -8.506 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.673 -3.747 -7.719 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.120 -3.920 -6.066 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.151 -6.258 -6.179 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.257 -6.264 -7.929 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.431 -4.926 -6.258 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.459 -6.658 -6.523 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.793 -6.434 -8.880 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.147 -4.805 -8.920 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.571 -4.941 -9.191 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.097 -3.972 -7.880 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.700 -5.535 -7.605 1.00 24.98 H new ATOM 471 N ILE A 30 -2.885 -4.021 -5.521 1.00 4.57 N ATOM 472 CA ILE A 30 -3.840 -4.659 -4.539 1.00 5.58 C ATOM 473 C ILE A 30 -5.242 -4.601 -5.132 1.00 7.26 C ATOM 474 O ILE A 30 -6.064 -5.493 -5.012 1.00 9.46 O ATOM 475 CB ILE A 30 -3.727 -3.816 -3.240 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.321 -4.033 -2.659 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.807 -4.200 -2.178 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.999 -2.989 -1.592 1.00 2.00 C ATOM 0 H ILE A 30 -2.654 -3.048 -5.318 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.615 -5.705 -4.328 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.897 -2.769 -3.489 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.253 -5.032 -2.227 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.582 -3.980 -3.458 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.681 -3.580 -1.291 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.801 -4.039 -2.595 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.693 -5.249 -1.906 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.998 -3.167 -1.199 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.044 -1.993 -2.032 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.725 -3.061 -0.782 1.00 2.00 H new ATOM 490 N GLN A 31 -5.547 -3.647 -6.072 1.00 7.06 N ATOM 491 CA GLN A 31 -6.655 -3.808 -7.057 1.00 8.67 C ATOM 492 C GLN A 31 -6.556 -5.117 -7.896 1.00 10.90 C ATOM 493 O GLN A 31 -7.544 -5.843 -8.082 1.00 9.63 O ATOM 494 CB GLN A 31 -6.789 -2.527 -7.931 1.00 9.12 C ATOM 495 CG GLN A 31 -7.989 -2.551 -8.901 1.00 10.76 C ATOM 496 CD GLN A 31 -8.029 -1.374 -9.787 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.125 -0.568 -9.915 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.257 -1.061 -10.304 1.00 14.76 N ATOM 0 H GLN A 31 -5.040 -2.766 -6.162 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.580 -3.925 -6.493 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.882 -1.661 -7.276 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.873 -2.395 -8.506 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.942 -3.456 -9.507 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.914 -2.600 -8.327 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.032 -1.718 -10.211 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.397 -0.171 -10.782 1.00 14.76 H new ATOM 507 N ASP A 32 -5.358 -5.422 -8.382 1.00 10.93 N ATOM 508 CA ASP A 32 -5.139 -6.563 -9.264 1.00 14.01 C ATOM 509 C ASP A 32 -5.441 -7.878 -8.551 1.00 14.04 C ATOM 510 O ASP A 32 -6.156 -8.696 -9.081 1.00 13.39 O ATOM 511 CB ASP A 32 -3.674 -6.479 -9.730 1.00 18.01 C ATOM 512 CG ASP A 32 -3.491 -7.297 -10.995 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.276 -7.122 -11.980 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.621 -8.198 -11.032 1.00 25.17 O ATOM 0 H ASP A 32 -4.514 -4.888 -8.177 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.812 -6.535 -10.121 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.400 -5.440 -9.915 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.012 -6.849 -8.947 1.00 18.01 H new ATOM 519 N LYS A 33 -5.002 -8.019 -7.295 1.00 14.22 N ATOM 520 CA LYS A 33 -5.232 -9.187 -6.435 1.00 14.00 C ATOM 521 C LYS A 33 -6.714 -9.227 -5.919 1.00 12.37 C ATOM 522 O LYS A 33 -7.386 -10.270 -6.056 1.00 12.17 O ATOM 523 CB LYS A 33 -4.296 -9.184 -5.227 1.00 18.62 C ATOM 524 CG LYS A 33 -2.846 -9.161 -5.622 1.00 24.00 C ATOM 525 CD LYS A 33 -2.128 -10.341 -4.928 1.00 27.61 C ATOM 526 CE LYS A 33 -0.659 -10.526 -5.341 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.099 -11.791 -4.805 1.00 30.06 N ATOM 0 H LYS A 33 -4.455 -7.294 -6.831 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.032 -10.068 -7.044 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.514 -8.316 -4.605 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.490 -10.068 -4.619 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.747 -9.242 -6.705 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.389 -8.215 -5.330 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.173 -10.193 -3.849 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.672 -11.260 -5.147 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.583 -10.525 -6.428 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.069 -9.684 -4.979 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.494 -12.243 -5.530 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.478 -11.586 -3.964 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.876 -12.431 -4.544 1.00 30.06 H new ATOM 541 N GLU A 34 -7.247 -8.090 -5.371 1.00 10.11 N ATOM 542 CA GLU A 34 -8.461 -8.072 -4.621 1.00 10.07 C ATOM 543 C GLU A 34 -9.654 -7.436 -5.291 1.00 9.32 C ATOM 544 O GLU A 34 -10.777 -7.576 -4.828 1.00 11.61 O ATOM 545 CB GLU A 34 -8.209 -7.262 -3.308 1.00 14.77 C ATOM 546 CG GLU A 34 -7.101 -7.763 -2.318 1.00 18.75 C ATOM 547 CD GLU A 34 -7.275 -9.161 -1.754 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.119 -9.355 -0.825 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.437 -10.068 -2.012 1.00 25.19 O ATOM 0 H GLU A 34 -6.811 -7.172 -5.462 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.712 -9.123 -4.474 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.961 -6.239 -3.592 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.150 -7.221 -2.759 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.141 -7.720 -2.832 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.048 -7.063 -1.484 1.00 18.75 H new ATOM 556 N GLY A 35 -9.487 -6.631 -6.416 1.00 7.22 N ATOM 557 CA GLY A 35 -10.624 -5.967 -7.145 1.00 6.29 C ATOM 558 C GLY A 35 -11.011 -4.633 -6.535 1.00 6.93 C ATOM 559 O GLY A 35 -11.862 -3.889 -7.023 1.00 7.41 O ATOM 0 H GLY A 35 -8.574 -6.435 -6.826 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.344 -5.817 -8.188 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.490 -6.629 -7.140 1.00 6.29 H new ATOM 563 N ILE A 36 -10.341 -4.347 -5.408 1.00 5.86 N ATOM 564 CA ILE A 36 -10.588 -3.131 -4.608 1.00 6.07 C ATOM 565 C ILE A 36 -10.226 -1.838 -5.292 1.00 6.36 C ATOM 566 O ILE A 36 -9.096 -1.820 -5.806 1.00 6.18 O ATOM 567 CB ILE A 36 -9.950 -3.236 -3.224 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.571 -4.385 -2.435 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.964 -1.921 -2.407 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.965 -4.677 -1.082 1.00 9.49 C ATOM 0 H ILE A 36 -9.613 -4.949 -5.024 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.671 -3.086 -4.490 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.895 -3.445 -3.400 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.630 -4.170 -2.295 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.506 -5.289 -3.040 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.491 -2.089 -1.439 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.417 -1.150 -2.949 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.994 -1.597 -2.256 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.491 -5.513 -0.620 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.912 -4.933 -1.202 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.054 -3.796 -0.446 1.00 9.49 H new ATOM 582 N PRO A 37 -10.975 -0.803 -5.352 1.00 8.65 N ATOM 583 CA PRO A 37 -10.570 0.424 -6.031 1.00 9.18 C ATOM 584 C PRO A 37 -9.498 1.167 -5.216 1.00 9.85 C ATOM 585 O PRO A 37 -9.639 1.255 -3.971 1.00 8.51 O ATOM 586 CB PRO A 37 -11.917 1.246 -6.153 1.00 11.42 C ATOM 587 CG PRO A 37 -12.756 0.753 -5.000 1.00 9.27 C ATOM 588 CD PRO A 37 -12.345 -0.728 -4.840 1.00 8.33 C ATOM 0 HA PRO A 37 -10.112 0.252 -7.005 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.737 2.319 -6.084 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.409 1.066 -7.109 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.558 1.322 -4.091 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.821 0.850 -5.212 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.393 -1.040 -3.797 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.011 -1.384 -5.400 1.00 8.33 H new ATOM 596 N PRO A 38 -8.454 1.692 -5.823 1.00 8.71 N ATOM 597 CA PRO A 38 -7.420 2.415 -5.090 1.00 9.08 C ATOM 598 C PRO A 38 -7.929 3.640 -4.350 1.00 9.28 C ATOM 599 O PRO A 38 -7.266 4.000 -3.388 1.00 6.50 O ATOM 600 CB PRO A 38 -6.398 2.803 -6.132 1.00 10.31 C ATOM 601 CG PRO A 38 -6.452 1.702 -7.154 1.00 10.81 C ATOM 602 CD PRO A 38 -7.945 1.315 -7.103 1.00 12.00 C ATOM 0 HA PRO A 38 -7.011 1.781 -4.303 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.636 3.769 -6.578 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.403 2.889 -5.696 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.150 2.045 -8.144 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.802 0.867 -6.893 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.497 1.819 -7.896 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.067 0.243 -7.261 1.00 12.00 H new ATOM 610 N ASP A 39 -9.061 4.245 -4.806 1.00 11.20 N ATOM 611 CA ASP A 39 -9.860 5.369 -4.191 1.00 14.96 C ATOM 612 C ASP A 39 -10.288 5.074 -2.774 1.00 13.99 C ATOM 613 O ASP A 39 -10.078 5.895 -1.874 1.00 13.75 O ATOM 614 CB ASP A 39 -11.127 5.717 -5.028 1.00 24.16 C ATOM 615 CG ASP A 39 -10.660 5.872 -6.426 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.182 6.971 -6.728 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.852 4.947 -7.211 1.00 34.22 O ATOM 0 H ASP A 39 -9.482 3.942 -5.685 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.183 6.223 -4.184 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.875 4.928 -4.951 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.593 6.634 -4.668 1.00 24.16 H new ATOM 622 N GLN A 40 -10.713 3.808 -2.442 1.00 11.60 N ATOM 623 CA GLN A 40 -10.991 3.460 -1.056 1.00 10.76 C ATOM 624 C GLN A 40 -9.717 3.234 -0.305 1.00 8.01 C ATOM 625 O GLN A 40 -9.604 3.653 0.864 1.00 8.96 O ATOM 626 CB GLN A 40 -11.889 2.208 -0.897 1.00 11.14 C ATOM 627 CG GLN A 40 -13.329 2.332 -1.399 1.00 14.85 C ATOM 628 CD GLN A 40 -14.046 1.070 -0.902 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.227 0.070 -1.604 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.411 1.043 0.426 1.00 18.16 N ATOM 0 H GLN A 40 -10.858 3.053 -3.112 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.537 4.310 -0.646 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.415 1.379 -1.423 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.918 1.941 0.159 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.804 3.232 -1.010 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.361 2.399 -2.486 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.265 1.865 1.012 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.828 0.201 0.823 1.00 18.16 H new ATOM 639 N GLN A 41 -8.668 2.667 -0.992 1.00 6.52 N ATOM 640 CA GLN A 41 -7.440 2.299 -0.292 1.00 3.87 C ATOM 641 C GLN A 41 -6.780 3.483 0.377 1.00 4.79 C ATOM 642 O GLN A 41 -6.425 4.491 -0.294 1.00 6.34 O ATOM 643 CB GLN A 41 -6.385 1.601 -1.219 1.00 4.20 C ATOM 644 CG GLN A 41 -6.920 0.270 -1.826 1.00 3.20 C ATOM 645 CD GLN A 41 -5.808 -0.409 -2.630 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.677 -0.704 -2.212 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.162 -0.877 -3.852 1.00 7.13 N ATOM 0 H GLN A 41 -8.669 2.471 -1.993 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.764 1.586 0.466 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.108 2.280 -2.025 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.479 1.399 -0.647 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.264 -0.392 -1.031 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.778 0.470 -2.468 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.082 -0.659 -4.235 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.508 -1.447 -4.389 1.00 7.13 H new ATOM 656 N ARG A 42 -6.427 3.380 1.643 1.00 5.73 N ATOM 657 CA ARG A 42 -5.456 4.203 2.264 1.00 6.97 C ATOM 658 C ARG A 42 -4.422 3.200 2.781 1.00 7.15 C ATOM 659 O ARG A 42 -4.674 2.132 3.279 1.00 7.33 O ATOM 660 CB ARG A 42 -5.954 5.090 3.396 1.00 13.23 C ATOM 661 CG ARG A 42 -6.671 6.316 2.787 1.00 21.27 C ATOM 662 CD ARG A 42 -7.587 7.059 3.723 1.00 26.14 C ATOM 663 NE ARG A 42 -7.771 8.487 3.217 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.140 9.496 3.968 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.427 9.363 5.299 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.468 10.655 3.383 1.00 36.39 N ATOM 0 H ARG A 42 -6.834 2.690 2.275 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.080 4.932 1.547 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.636 4.534 4.039 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.119 5.411 4.019 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.916 7.010 2.417 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.250 5.986 1.925 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.551 6.555 3.783 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.168 7.068 4.729 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.595 8.668 2.229 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.358 8.449 5.747 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.710 10.178 5.843 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.429 10.743 2.368 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.757 11.450 3.953 1.00 36.39 H new ATOM 680 N LEU A 43 -3.141 3.549 2.554 1.00 4.65 N ATOM 681 CA LEU A 43 -1.955 2.762 2.863 1.00 3.51 C ATOM 682 C LEU A 43 -1.136 3.435 3.947 1.00 5.56 C ATOM 683 O LEU A 43 -0.959 4.651 4.003 1.00 4.19 O ATOM 684 CB LEU A 43 -1.066 2.374 1.746 1.00 3.74 C ATOM 685 CG LEU A 43 -1.671 1.332 0.749 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.765 0.816 -0.414 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.317 0.116 1.409 1.00 6.41 C ATOM 0 H LEU A 43 -2.904 4.443 2.124 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.383 1.816 3.194 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.794 3.271 1.190 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.145 1.965 2.160 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.428 1.973 0.297 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.322 0.101 -1.019 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.458 1.657 -1.036 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.118 0.330 0.001 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.708 -0.550 0.640 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.573 -0.414 2.004 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.132 0.443 2.055 1.00 6.41 H new ATOM 699 N ILE A 44 -0.640 2.607 4.852 1.00 4.58 N ATOM 700 CA ILE A 44 -0.049 2.972 6.130 1.00 5.55 C ATOM 701 C ILE A 44 1.194 2.282 6.341 1.00 5.46 C ATOM 702 O ILE A 44 1.199 1.050 6.392 1.00 6.04 O ATOM 703 CB ILE A 44 -0.834 2.794 7.408 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.329 3.113 7.216 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.192 3.654 8.517 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.543 4.702 6.991 1.00 13.90 C ATOM 0 H ILE A 44 -0.639 1.598 4.704 1.00 4.58 H new ATOM 0 HA ILE A 44 0.029 4.049 5.985 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.793 1.747 7.707 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.718 2.562 6.359 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.893 2.784 8.089 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.753 3.531 9.443 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.839 3.337 8.672 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.208 4.702 8.220 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.604 4.911 6.857 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.173 5.246 7.860 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.996 5.021 6.104 1.00 13.90 H new ATOM 718 N PHE A 45 2.370 2.999 6.583 1.00 6.75 N ATOM 719 CA PHE A 45 3.616 2.400 6.966 1.00 4.70 C ATOM 720 C PHE A 45 3.955 2.921 8.290 1.00 6.34 C ATOM 721 O PHE A 45 4.175 4.118 8.461 1.00 5.45 O ATOM 722 CB PHE A 45 4.654 2.650 5.923 1.00 5.51 C ATOM 723 CG PHE A 45 5.978 2.034 6.243 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.042 0.621 6.267 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.104 2.874 6.543 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.303 0.080 6.496 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.331 2.194 6.723 1.00 6.64 C ATOM 728 CZ PHE A 45 8.447 0.821 6.825 1.00 6.84 C ATOM 0 H PHE A 45 2.421 4.014 6.502 1.00 6.75 H new ATOM 0 HA PHE A 45 3.548 1.314 7.036 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.301 2.259 4.969 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.782 3.725 5.799 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.169 0.003 6.117 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.020 3.948 6.625 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.409 -0.992 6.414 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.233 2.785 6.785 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.365 0.346 7.140 1.00 6.84 H new ATOM 738 N ALA A 46 3.931 2.077 9.325 1.00 6.53 N ATOM 739 CA ALA A 46 4.190 2.426 10.716 1.00 7.15 C ATOM 740 C ALA A 46 3.675 3.757 11.284 1.00 9.00 C ATOM 741 O ALA A 46 4.432 4.477 11.906 1.00 11.15 O ATOM 742 CB ALA A 46 5.667 2.240 10.876 1.00 8.99 C ATOM 0 H ALA A 46 3.720 1.086 9.205 1.00 6.53 H new ATOM 0 HA ALA A 46 3.575 1.773 11.336 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.955 2.481 11.899 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.929 1.204 10.660 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.194 2.899 10.186 1.00 8.99 H new ATOM 748 N GLY A 47 2.344 4.029 11.138 1.00 9.35 N ATOM 749 CA GLY A 47 1.709 5.293 11.548 1.00 11.68 C ATOM 750 C GLY A 47 1.682 6.491 10.568 1.00 11.14 C ATOM 751 O GLY A 47 1.057 7.539 10.801 1.00 13.93 O ATOM 0 H GLY A 47 1.688 3.364 10.728 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.677 5.067 11.815 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.207 5.628 12.458 1.00 11.68 H new ATOM 755 N LYS A 48 2.358 6.370 9.397 1.00 10.47 N ATOM 756 CA LYS A 48 2.355 7.406 8.425 1.00 8.82 C ATOM 757 C LYS A 48 1.539 6.913 7.295 1.00 7.68 C ATOM 758 O LYS A 48 1.695 5.837 6.775 1.00 6.47 O ATOM 759 CB LYS A 48 3.779 7.583 7.897 1.00 9.74 C ATOM 760 CG LYS A 48 3.984 8.629 6.860 1.00 14.14 C ATOM 761 CD LYS A 48 3.625 10.071 7.306 1.00 16.32 C ATOM 762 CE LYS A 48 4.553 10.515 8.467 1.00 20.04 C ATOM 763 NZ LYS A 48 4.392 11.932 8.749 1.00 23.92 N ATOM 0 H LYS A 48 2.903 5.548 9.136 1.00 10.47 H new ATOM 0 HA LYS A 48 1.979 8.339 8.844 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.429 7.810 8.742 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.111 6.629 7.487 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.028 8.610 6.548 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.385 8.375 5.985 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.728 10.757 6.465 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.584 10.113 7.626 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.326 9.934 9.361 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.591 10.308 8.207 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.023 12.205 9.529 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.631 12.484 7.901 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.406 12.122 9.019 1.00 23.92 H new ATOM 777 N GLN A 49 0.608 7.740 6.854 1.00 8.89 N ATOM 778 CA GLN A 49 -0.206 7.606 5.665 1.00 7.18 C ATOM 779 C GLN A 49 0.489 8.101 4.425 1.00 8.23 C ATOM 780 O GLN A 49 0.995 9.223 4.397 1.00 9.70 O ATOM 781 CB GLN A 49 -1.634 8.208 5.727 1.00 11.67 C ATOM 782 CG GLN A 49 -2.578 7.836 4.547 1.00 15.82 C ATOM 783 CD GLN A 49 -3.976 8.422 4.763 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.681 8.212 5.796 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.368 9.290 3.789 1.00 20.67 N ATOM 0 H GLN A 49 0.385 8.595 7.364 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.344 6.526 5.615 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.103 7.888 6.657 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.549 9.294 5.771 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.163 8.210 3.611 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.643 6.752 4.456 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.778 9.437 2.970 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.251 9.793 3.879 1.00 20.67 H new ATOM 794 N LEU A 50 0.547 7.126 3.430 1.00 6.51 N ATOM 795 CA LEU A 50 1.446 7.176 2.283 1.00 7.41 C ATOM 796 C LEU A 50 0.837 7.909 1.078 1.00 8.27 C ATOM 797 O LEU A 50 -0.315 7.605 0.711 1.00 8.34 O ATOM 798 CB LEU A 50 1.774 5.712 1.877 1.00 7.13 C ATOM 799 CG LEU A 50 2.271 4.874 3.088 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.542 3.409 2.622 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.478 5.532 3.789 1.00 9.11 C ATOM 0 H LEU A 50 -0.047 6.297 3.438 1.00 6.51 H new ATOM 0 HA LEU A 50 2.338 7.731 2.571 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.885 5.245 1.452 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.537 5.713 1.098 1.00 7.13 H new ATOM 0 HG LEU A 50 1.493 4.841 3.851 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.891 2.817 3.468 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.622 2.976 2.231 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.303 3.410 1.842 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.793 4.913 4.629 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.301 5.629 3.081 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.194 6.520 4.152 1.00 9.11 H new ATOM 813 N GLU A 51 1.575 8.854 0.423 1.00 9.43 N ATOM 814 CA GLU A 51 1.056 9.658 -0.685 1.00 11.90 C ATOM 815 C GLU A 51 1.406 9.062 -2.053 1.00 11.49 C ATOM 816 O GLU A 51 2.538 8.578 -2.252 1.00 9.88 O ATOM 817 CB GLU A 51 1.551 11.133 -0.683 1.00 16.56 C ATOM 818 CG GLU A 51 0.885 11.985 0.464 1.00 26.06 C ATOM 819 CD GLU A 51 -0.625 12.095 0.403 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.183 11.814 -0.711 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.241 12.552 1.358 1.00 32.13 O ATOM 0 H GLU A 51 2.544 9.066 0.662 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.022 9.646 -0.524 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.634 11.150 -0.563 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.329 11.590 -1.648 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.161 11.549 1.424 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.306 12.990 0.437 1.00 26.06 H new ATOM 828 N ASP A 52 0.419 9.047 -2.956 1.00 12.71 N ATOM 829 CA ASP A 52 0.360 8.247 -4.168 1.00 16.56 C ATOM 830 C ASP A 52 1.522 8.367 -5.168 1.00 15.83 C ATOM 831 O ASP A 52 2.079 7.356 -5.608 1.00 17.21 O ATOM 832 CB ASP A 52 -0.987 8.536 -4.823 1.00 21.05 C ATOM 833 CG ASP A 52 -2.111 8.379 -3.832 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.471 9.301 -3.018 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.604 7.232 -3.765 1.00 25.82 O ATOM 0 H ASP A 52 -0.409 9.633 -2.846 1.00 12.71 H new ATOM 0 HA ASP A 52 0.470 7.208 -3.856 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.990 9.549 -5.225 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.140 7.859 -5.663 1.00 21.05 H new ATOM 840 N GLY A 53 1.881 9.635 -5.427 1.00 15.00 N ATOM 841 CA GLY A 53 2.863 10.049 -6.425 1.00 11.77 C ATOM 842 C GLY A 53 4.294 9.846 -6.011 1.00 11.10 C ATOM 843 O GLY A 53 5.152 10.275 -6.805 1.00 11.25 O ATOM 0 H GLY A 53 1.476 10.425 -4.924 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.682 9.495 -7.346 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.710 11.104 -6.652 1.00 11.77 H new ATOM 847 N ARG A 54 4.613 9.303 -4.850 1.00 8.53 N ATOM 848 CA ARG A 54 5.951 9.012 -4.347 1.00 9.05 C ATOM 849 C ARG A 54 6.219 7.513 -4.244 1.00 8.96 C ATOM 850 O ARG A 54 5.317 6.741 -4.429 1.00 11.60 O ATOM 851 CB ARG A 54 6.040 9.569 -2.925 1.00 7.97 C ATOM 852 CG ARG A 54 5.409 10.969 -2.731 1.00 9.62 C ATOM 853 CD ARG A 54 5.836 11.528 -1.392 1.00 12.20 C ATOM 854 NE ARG A 54 4.871 12.636 -0.995 1.00 18.23 N ATOM 855 CZ ARG A 54 4.984 13.250 0.169 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.782 12.952 1.144 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.152 14.290 0.405 1.00 23.38 N ATOM 0 H ARG A 54 3.892 9.032 -4.181 1.00 8.53 H new ATOM 0 HA ARG A 54 6.672 9.454 -5.035 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.552 8.870 -2.246 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.089 9.616 -2.634 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.723 11.636 -3.534 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.322 10.901 -2.780 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.839 10.741 -0.638 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.853 11.916 -1.452 1.00 12.20 H new ATOM 0 HE ARG A 54 4.127 12.908 -1.637 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.419 12.160 1.058 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.773 13.509 1.999 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.473 14.571 -0.302 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.204 14.794 1.290 1.00 23.38 H new ATOM 871 N THR A 55 7.440 7.145 -3.842 1.00 9.05 N ATOM 872 CA THR A 55 7.913 5.796 -3.923 1.00 9.03 C ATOM 873 C THR A 55 8.075 5.172 -2.555 1.00 8.15 C ATOM 874 O THR A 55 8.198 5.886 -1.577 1.00 5.91 O ATOM 875 CB THR A 55 9.154 5.598 -4.794 1.00 11.15 C ATOM 876 OG1 THR A 55 10.327 6.090 -4.214 1.00 11.95 O ATOM 877 CG2 THR A 55 9.037 6.234 -6.184 1.00 11.71 C ATOM 0 H THR A 55 8.120 7.796 -3.450 1.00 9.05 H new ATOM 0 HA THR A 55 7.123 5.259 -4.448 1.00 9.03 H new ATOM 0 HB THR A 55 9.213 4.514 -4.888 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.203 7.032 -3.975 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.954 6.053 -6.745 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.193 5.794 -6.716 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.881 7.308 -6.081 1.00 11.71 H new ATOM 885 N LEU A 56 8.119 3.797 -2.578 1.00 6.91 N ATOM 886 CA LEU A 56 8.379 2.926 -1.389 1.00 8.29 C ATOM 887 C LEU A 56 9.739 3.328 -0.720 1.00 8.05 C ATOM 888 O LEU A 56 9.749 3.512 0.513 1.00 10.17 O ATOM 889 CB LEU A 56 8.430 1.398 -1.658 1.00 6.60 C ATOM 890 CG LEU A 56 7.130 0.766 -2.251 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.338 -0.614 -2.860 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.101 0.606 -1.108 1.00 8.64 C ATOM 0 H LEU A 56 7.973 3.263 -3.435 1.00 6.91 H new ATOM 0 HA LEU A 56 7.516 3.099 -0.746 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.254 1.196 -2.343 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.663 0.891 -0.721 1.00 6.60 H new ATOM 0 HG LEU A 56 6.795 1.434 -3.044 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.391 -0.986 -3.250 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.064 -0.548 -3.671 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.709 -1.297 -2.096 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.185 0.166 -1.502 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.513 -0.044 -0.336 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.879 1.583 -0.679 1.00 8.64 H new ATOM 904 N SER A 57 10.815 3.575 -1.498 1.00 8.92 N ATOM 905 CA SER A 57 12.048 4.313 -1.078 1.00 9.00 C ATOM 906 C SER A 57 11.854 5.546 -0.366 1.00 9.44 C ATOM 907 O SER A 57 12.546 5.802 0.626 1.00 10.91 O ATOM 908 CB SER A 57 13.108 4.647 -2.193 1.00 10.32 C ATOM 909 OG SER A 57 13.487 3.414 -2.803 1.00 13.59 O ATOM 0 H SER A 57 10.861 3.261 -2.467 1.00 8.92 H new ATOM 0 HA SER A 57 12.431 3.537 -0.415 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.686 5.328 -2.933 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.976 5.144 -1.761 1.00 10.32 H new ATOM 0 HG SER A 57 12.693 2.975 -3.175 1.00 13.59 H new ATOM 915 N ASP A 58 10.920 6.443 -0.722 1.00 9.11 N ATOM 916 CA ASP A 58 10.848 7.731 -0.114 1.00 7.91 C ATOM 917 C ASP A 58 10.180 7.735 1.269 1.00 9.12 C ATOM 918 O ASP A 58 10.265 8.684 2.091 1.00 8.61 O ATOM 919 CB ASP A 58 9.982 8.699 -0.933 1.00 8.41 C ATOM 920 CG ASP A 58 10.626 8.827 -2.291 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.792 9.199 -2.419 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.845 8.635 -3.265 1.00 11.70 O ATOM 0 H ASP A 58 10.211 6.274 -1.435 1.00 9.11 H new ATOM 0 HA ASP A 58 11.894 8.029 -0.049 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.963 8.322 -1.023 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.920 9.670 -0.442 1.00 8.41 H new ATOM 927 N TYR A 59 9.497 6.567 1.543 1.00 7.97 N ATOM 928 CA TYR A 59 8.862 6.267 2.818 1.00 8.45 C ATOM 929 C TYR A 59 9.613 5.298 3.613 1.00 10.98 C ATOM 930 O TYR A 59 9.167 4.837 4.650 1.00 12.95 O ATOM 931 CB TYR A 59 7.435 5.739 2.619 1.00 7.94 C ATOM 932 CG TYR A 59 6.492 6.808 2.182 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.113 7.782 3.161 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.986 6.868 0.866 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.365 8.925 2.775 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.207 7.979 0.524 1.00 6.52 C ATOM 937 CZ TYR A 59 4.868 9.006 1.478 1.00 6.76 C ATOM 938 OH TYR A 59 3.956 9.956 1.116 1.00 7.63 O ATOM 0 H TYR A 59 9.389 5.820 0.856 1.00 7.97 H new ATOM 0 HA TYR A 59 8.838 7.211 3.362 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.445 4.941 1.877 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.078 5.302 3.552 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.397 7.647 4.194 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.192 6.086 0.150 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.184 9.723 3.480 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.847 8.071 -0.490 1.00 6.52 H new ATOM 0 HH TYR A 59 4.336 10.847 1.264 1.00 7.63 H new ATOM 948 N ASN A 60 10.847 4.967 3.183 1.00 12.38 N ATOM 949 CA ASN A 60 11.712 4.137 3.969 1.00 13.94 C ATOM 950 C ASN A 60 11.314 2.771 4.288 1.00 14.16 C ATOM 951 O ASN A 60 11.652 2.140 5.305 1.00 14.26 O ATOM 952 CB ASN A 60 12.280 4.895 5.237 1.00 19.23 C ATOM 953 CG ASN A 60 13.062 6.177 4.828 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.629 7.273 5.131 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.136 5.962 4.025 1.00 24.09 N ATOM 0 H ASN A 60 11.245 5.273 2.295 1.00 12.38 H new ATOM 0 HA ASN A 60 12.506 3.951 3.246 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.458 5.164 5.900 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.937 4.229 5.797 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.642 6.753 3.628 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.436 5.009 3.819 1.00 24.09 H new ATOM 962 N ILE A 61 10.583 2.196 3.327 1.00 11.08 N ATOM 963 CA ILE A 61 10.103 0.870 3.196 1.00 11.78 C ATOM 964 C ILE A 61 11.210 0.009 2.539 1.00 13.74 C ATOM 965 O ILE A 61 11.889 0.414 1.564 1.00 14.60 O ATOM 966 CB ILE A 61 8.830 0.885 2.332 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.640 1.595 3.034 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.419 -0.515 2.204 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.351 1.712 2.220 1.00 11.42 C ATOM 0 H ILE A 61 10.289 2.754 2.525 1.00 11.08 H new ATOM 0 HA ILE A 61 9.856 0.445 4.169 1.00 11.78 H new ATOM 0 HB ILE A 61 9.052 1.399 1.397 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.416 1.058 3.956 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.958 2.598 3.318 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.515 -0.575 1.598 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.215 -1.086 1.726 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.221 -0.928 3.193 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.592 2.224 2.812 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.546 2.279 1.310 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.995 0.716 1.957 1.00 11.42 H new ATOM 981 N GLN A 62 11.403 -1.184 3.167 1.00 13.97 N ATOM 982 CA GLN A 62 12.489 -2.055 2.992 1.00 15.52 C ATOM 983 C GLN A 62 12.075 -3.413 2.451 1.00 13.94 C ATOM 984 O GLN A 62 10.925 -3.667 2.058 1.00 12.15 O ATOM 985 CB GLN A 62 13.279 -2.246 4.390 1.00 19.53 C ATOM 986 CG GLN A 62 13.741 -0.910 5.033 1.00 26.38 C ATOM 987 CD GLN A 62 14.402 -1.094 6.401 1.00 30.61 C ATOM 988 OE1 GLN A 62 13.792 -0.742 7.431 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.686 -1.513 6.402 1.00 32.71 N ATOM 0 H GLN A 62 10.731 -1.542 3.845 1.00 13.97 H new ATOM 0 HA GLN A 62 13.143 -1.597 2.250 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.634 -2.773 5.093 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.151 -2.878 4.221 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.443 -0.415 4.362 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.881 -0.249 5.139 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.133 -1.789 5.528 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.208 -1.554 7.277 1.00 32.71 H new ATOM 998 N LYS A 63 12.960 -4.412 2.428 1.00 11.73 N ATOM 999 CA LYS A 63 12.557 -5.780 2.116 1.00 11.97 C ATOM 1000 C LYS A 63 11.929 -6.516 3.244 1.00 10.41 C ATOM 1001 O LYS A 63 12.432 -6.636 4.395 1.00 9.59 O ATOM 1002 CB LYS A 63 13.694 -6.577 1.524 1.00 13.73 C ATOM 1003 CG LYS A 63 15.020 -6.622 2.339 1.00 16.98 C ATOM 1004 CD LYS A 63 16.074 -7.510 1.645 1.00 20.19 C ATOM 1005 CE LYS A 63 15.944 -8.988 1.924 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.208 -9.309 3.299 1.00 25.97 N ATOM 0 H LYS A 63 13.955 -4.298 2.621 1.00 11.73 H new ATOM 0 HA LYS A 63 11.774 -5.669 1.366 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.351 -7.601 1.377 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.916 -6.171 0.537 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.412 -5.612 2.456 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.821 -7.004 3.340 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.009 -7.351 0.569 1.00 20.19 H new ATOM 0 HD3 LYS A 63 17.066 -7.182 1.957 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.938 -9.318 1.663 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.635 -9.538 1.286 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.375 -10.331 3.391 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.050 -8.791 3.621 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.391 -9.038 3.882 1.00 25.97 H new ATOM 1020 N GLU A 64 10.773 -7.134 2.947 1.00 10.04 N ATOM 1021 CA GLU A 64 9.808 -7.770 3.808 1.00 10.94 C ATOM 1022 C GLU A 64 9.186 -6.860 4.837 1.00 9.74 C ATOM 1023 O GLU A 64 8.915 -7.203 5.990 1.00 9.42 O ATOM 1024 CB GLU A 64 10.391 -9.081 4.361 1.00 18.31 C ATOM 1025 CG GLU A 64 10.795 -10.175 3.363 1.00 24.16 C ATOM 1026 CD GLU A 64 11.454 -11.312 4.135 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.295 -11.088 5.072 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.080 -12.474 3.867 1.00 31.72 O ATOM 0 H GLU A 64 10.474 -7.197 1.974 1.00 10.04 H new ATOM 0 HA GLU A 64 8.941 -8.032 3.202 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.271 -8.830 4.953 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.658 -9.509 5.045 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.920 -10.539 2.825 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.483 -9.774 2.618 1.00 24.16 H new ATOM 1035 N SER A 65 9.025 -5.577 4.502 1.00 6.85 N ATOM 1036 CA SER A 65 8.197 -4.598 5.265 1.00 6.90 C ATOM 1037 C SER A 65 6.731 -4.997 5.351 1.00 4.72 C ATOM 1038 O SER A 65 6.176 -5.535 4.427 1.00 3.91 O ATOM 1039 CB SER A 65 8.188 -3.134 4.661 1.00 7.28 C ATOM 1040 OG SER A 65 9.417 -2.545 4.901 1.00 10.56 O ATOM 0 H SER A 65 9.469 -5.167 3.680 1.00 6.85 H new ATOM 0 HA SER A 65 8.681 -4.605 6.242 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.989 -3.169 3.590 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.392 -2.544 5.114 1.00 7.28 H new ATOM 0 HG SER A 65 9.287 -1.698 5.376 1.00 10.56 H new ATOM 1046 N THR A 66 6.164 -4.670 6.482 1.00 4.48 N ATOM 1047 CA THR A 66 4.777 -4.816 6.737 1.00 3.80 C ATOM 1048 C THR A 66 4.105 -3.445 6.578 1.00 4.60 C ATOM 1049 O THR A 66 4.451 -2.413 7.128 1.00 5.33 O ATOM 1050 CB THR A 66 4.383 -5.372 8.038 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.057 -6.570 8.201 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.814 -5.568 8.082 1.00 3.40 C ATOM 0 H THR A 66 6.683 -4.283 7.270 1.00 4.48 H new ATOM 0 HA THR A 66 4.449 -5.560 6.011 1.00 3.80 H new ATOM 0 HB THR A 66 4.644 -4.698 8.854 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.816 -6.966 9.064 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.526 -5.981 9.049 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.323 -4.606 7.937 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.511 -6.253 7.290 1.00 3.40 H new ATOM 1060 N LEU A 67 3.243 -3.323 5.597 1.00 4.17 N ATOM 1061 CA LEU A 67 2.436 -2.141 5.321 1.00 3.85 C ATOM 1062 C LEU A 67 1.022 -2.512 5.822 1.00 3.80 C ATOM 1063 O LEU A 67 0.661 -3.698 5.856 1.00 5.54 O ATOM 1064 CB LEU A 67 2.348 -1.762 3.861 1.00 7.18 C ATOM 1065 CG LEU A 67 3.531 -1.002 3.233 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.809 -1.826 3.191 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.005 -0.737 1.779 1.00 11.66 C ATOM 0 H LEU A 67 3.071 -4.078 4.933 1.00 4.17 H new ATOM 0 HA LEU A 67 2.889 -1.278 5.809 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.199 -2.677 3.288 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.453 -1.153 3.729 1.00 7.18 H new ATOM 0 HG LEU A 67 3.802 -0.109 3.796 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.607 -1.237 2.738 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.095 -2.106 4.205 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.642 -2.726 2.600 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.761 -0.194 1.212 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.797 -1.688 1.288 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.091 -0.145 1.825 1.00 11.66 H new ATOM 1079 N HIS A 68 0.117 -1.516 6.098 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.281 -1.825 6.439 1.00 4.17 C ATOM 1081 C HIS A 68 -2.146 -1.091 5.479 1.00 5.32 C ATOM 1082 O HIS A 68 -1.808 -0.046 4.966 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.564 -1.492 7.926 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.512 -1.949 8.868 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.717 -1.362 8.996 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.434 -3.135 9.577 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.477 -2.197 9.806 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.803 -3.262 10.158 1.00 16.30 N ATOM 0 H HIS A 68 0.341 -0.521 6.087 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.496 -2.889 6.344 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.682 -0.413 8.028 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.513 -1.945 8.213 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.232 -3.857 9.661 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.494 -1.993 10.107 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.130 -4.030 10.744 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.302 -1.706 5.196 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.390 -1.148 4.351 1.00 3.97 C ATOM 1098 C LEU A 69 -5.596 -0.703 5.170 1.00 5.07 C ATOM 1099 O LEU A 69 -6.245 -1.439 5.926 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.967 -2.183 3.327 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.164 -1.786 2.509 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.805 -0.709 1.469 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.771 -3.013 1.729 1.00 9.96 C ATOM 0 H LEU A 69 -3.522 -2.635 5.555 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.910 -0.312 3.843 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.166 -2.449 2.637 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.226 -3.087 3.878 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.894 -1.397 3.219 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.694 -0.446 0.896 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.427 0.177 1.979 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.040 -1.095 0.795 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.634 -2.685 1.150 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.018 -3.425 1.057 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.081 -3.779 2.440 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.010 0.555 4.987 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.163 1.163 5.667 1.00 6.26 C ATOM 1117 C VAL A 70 -8.231 1.478 4.552 1.00 9.22 C ATOM 1118 O VAL A 70 -7.816 2.227 3.650 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.843 2.376 6.553 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.089 3.058 7.101 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.882 1.930 7.621 1.00 8.54 C ATOM 0 H VAL A 70 -5.542 1.196 4.346 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.551 0.453 6.398 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.371 3.153 5.953 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.797 3.907 7.719 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.707 3.407 6.273 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.657 2.349 7.704 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.637 2.774 8.266 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.340 1.140 8.216 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.971 1.553 7.156 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.470 1.031 4.545 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.468 1.323 3.539 1.00 16.06 C ATOM 1133 C LEU A 71 -11.397 2.474 3.925 1.00 18.09 C ATOM 1134 O LEU A 71 -12.355 2.271 4.679 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.282 0.126 3.013 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.476 -0.972 2.334 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.391 -2.127 1.944 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.660 -0.401 1.125 1.00 19.57 C ATOM 0 H LEU A 71 -9.826 0.421 5.281 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.849 1.636 2.698 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.829 -0.313 3.848 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.024 0.497 2.306 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.742 -1.368 3.035 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.805 -2.908 1.459 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.866 -2.532 2.837 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.157 -1.768 1.257 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.093 -1.205 0.657 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.345 0.032 0.396 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.974 0.368 1.480 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.196 3.660 3.303 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.117 4.780 3.212 1.00 25.83 C ATOM 1152 C ARG A 72 -13.453 4.326 2.553 1.00 27.74 C ATOM 1153 O ARG A 72 -13.454 3.350 1.712 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.532 5.923 2.434 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.212 7.273 2.632 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.334 8.398 2.085 1.00 34.05 C ATOM 1157 NE ARG A 72 -12.079 9.670 2.225 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.812 10.748 1.511 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.730 10.839 0.735 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -12.650 11.750 1.566 1.00 35.02 N ATOM 0 H ARG A 72 -10.318 3.857 2.822 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.308 5.128 4.227 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.481 6.023 2.705 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.565 5.672 1.374 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.178 7.278 2.126 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.406 7.437 3.692 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.392 8.446 2.631 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -11.087 8.214 1.039 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.836 9.716 2.907 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.075 10.059 0.679 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.558 11.689 0.198 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -13.484 11.686 2.150 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -12.470 12.596 1.025 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.571 4.930 2.944 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.831 4.538 2.394 1.00 30.76 C ATOM 1176 C LEU A 73 -16.391 5.707 1.694 1.00 32.18 C ATOM 1177 O LEU A 73 -16.114 6.890 2.040 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.710 4.148 3.628 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.164 2.966 4.508 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.999 2.787 5.811 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.174 1.613 3.733 1.00 29.11 C ATOM 0 H LEU A 73 -14.614 5.682 3.632 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.770 3.710 1.688 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.823 5.027 4.263 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.705 3.882 3.272 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.138 3.232 4.762 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.592 1.961 6.394 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.955 3.703 6.400 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.036 2.572 5.552 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.789 0.822 4.377 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.194 1.373 3.433 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.546 1.697 2.846 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.230 5.427 0.648 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.854 6.479 -0.096 1.00 35.33 C ATOM 1195 C ARG A 74 -18.879 7.268 0.757 1.00 36.22 C ATOM 1196 O ARG A 74 -19.598 6.677 1.522 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.467 5.899 -1.381 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.666 5.054 -2.395 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.371 5.785 -2.675 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.612 5.041 -3.741 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.869 5.549 -4.741 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.562 6.827 -4.794 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.446 4.721 -5.651 1.00 41.93 N ATOM 0 H ARG A 74 -17.463 4.485 0.334 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.097 7.210 -0.380 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.313 5.286 -1.069 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.873 6.744 -1.937 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.466 4.061 -1.993 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.235 4.917 -3.314 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.577 6.805 -3.001 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.773 5.855 -1.766 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.668 4.023 -3.700 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.889 7.461 -4.065 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.997 7.184 -5.564 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.681 3.730 -5.588 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.880 5.062 -6.427 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.991 8.591 0.534 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.735 9.514 1.372 1.00 36.07 C ATOM 1219 C GLY A 75 -18.928 10.058 2.569 1.00 36.16 C ATOM 1220 O GLY A 75 -19.491 10.747 3.431 1.00 36.26 O ATOM 0 H GLY A 75 -18.548 9.048 -0.263 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.072 10.352 0.762 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.627 9.012 1.746 1.00 36.07 H new ATOM 1224 N GLY A 76 -17.589 9.768 2.671 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.753 10.188 3.751 1.00 36.19 C ATOM 1226 C GLY A 76 -15.292 10.494 3.390 1.00 36.20 C ATOM 1227 O GLY A 76 -14.431 9.603 3.704 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.047 11.596 2.861 1.00 0.00 O ATOM 0 H GLY A 76 -17.091 9.222 1.968 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.191 11.081 4.198 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.763 9.411 4.516 1.00 36.19 H new TER 1232 GLY A 76