USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 489 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 4 MET CE :methyl -167:sc= -5.28! (180deg=-6.26!) USER MOD Set 1.2: A 16 THR OG1 : rot 67:sc= 1.24 USER MOD Set 1.3: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 28 LYS NZ :NH3+ -164:sc= -0.984 (180deg=-1.35) USER MOD Set 1.5: A 29 SER OG : rot -147:sc= -3.45! USER MOD Single : A 1 MET CE :methyl 167:sc= -0.368 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.289 (180deg=-0.5) USER MOD Single : A 2 HIS : no HD1:sc=-0.00539 K(o=-0.0054,f=-3.4!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 129:sc= -5.82! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -140:sc= 0 USER MOD Single : A 23 SER OG : rot 37:sc= -1.05! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0766 USER MOD Single : A 31 HIS : no HD1:sc= -6.56! K(o=-6.6!,f=-3) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 133:sc= 0.0697 USER MOD Single : A 42 SER OG : rot -50:sc= 1.06 USER MOD Single : A 44 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 47 THR OG1 : rot -49:sc= -0.109! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.375 -0.763 -10.873 1.00 0.00 N ATOM 2 CA MET A 1 15.267 -1.319 -11.693 1.00 0.00 C ATOM 3 C MET A 1 13.981 -1.428 -10.882 1.00 0.00 C ATOM 4 O MET A 1 13.401 -2.507 -10.762 1.00 0.00 O ATOM 5 CB MET A 1 15.686 -2.697 -12.206 1.00 0.00 C ATOM 6 CG MET A 1 16.624 -3.436 -11.267 1.00 0.00 C ATOM 7 SD MET A 1 16.993 -5.109 -11.828 1.00 0.00 S ATOM 8 CE MET A 1 17.318 -4.820 -13.566 1.00 0.00 C ATOM 0 H1 MET A 1 17.276 -0.887 -11.377 1.00 0.00 H new ATOM 0 H2 MET A 1 16.209 0.250 -10.706 1.00 0.00 H new ATOM 0 H3 MET A 1 16.416 -1.262 -9.961 1.00 0.00 H new ATOM 0 HA MET A 1 15.070 -0.649 -12.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.794 -3.303 -12.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.171 -2.583 -13.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.554 -2.875 -11.173 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.177 -3.480 -10.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.781 -5.705 -14.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.381 -4.610 -14.081 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.990 -3.968 -13.674 1.00 0.00 H new ATOM 20 N HIS A 2 13.539 -0.304 -10.328 1.00 0.00 N ATOM 21 CA HIS A 2 12.320 -0.276 -9.529 1.00 0.00 C ATOM 22 C HIS A 2 11.100 -0.016 -10.401 1.00 0.00 C ATOM 23 O HIS A 2 11.211 0.152 -11.616 1.00 0.00 O ATOM 24 CB HIS A 2 12.417 0.792 -8.439 1.00 0.00 C ATOM 25 CG HIS A 2 12.839 2.135 -8.949 1.00 0.00 C ATOM 26 ND1 HIS A 2 12.948 2.430 -10.292 1.00 0.00 N ATOM 27 CD2 HIS A 2 13.180 3.267 -8.288 1.00 0.00 C ATOM 28 CE1 HIS A 2 13.338 3.685 -10.434 1.00 0.00 C ATOM 29 NE2 HIS A 2 13.485 4.214 -9.234 1.00 0.00 N ATOM 0 H HIS A 2 14.006 0.598 -10.418 1.00 0.00 H new ATOM 0 HA HIS A 2 12.207 -1.253 -9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 2 11.448 0.887 -7.949 1.00 0.00 H new ATOM 0 HB3 HIS A 2 13.127 0.461 -7.681 1.00 0.00 H new ATOM 0 HD2 HIS A 2 13.207 3.400 -7.217 1.00 0.00 H new ATOM 0 HE1 HIS A 2 13.508 4.191 -11.373 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.778 5.172 -9.041 1.00 0.00 H new ATOM 38 N LEU A 3 9.936 0.011 -9.767 1.00 0.00 N ATOM 39 CA LEU A 3 8.679 0.245 -10.467 1.00 0.00 C ATOM 40 C LEU A 3 8.342 -0.925 -11.384 1.00 0.00 C ATOM 41 O LEU A 3 9.081 -1.224 -12.322 1.00 0.00 O ATOM 42 CB LEU A 3 8.741 1.542 -11.275 1.00 0.00 C ATOM 43 CG LEU A 3 7.651 1.690 -12.335 1.00 0.00 C ATOM 44 CD1 LEU A 3 7.387 3.158 -12.617 1.00 0.00 C ATOM 45 CD2 LEU A 3 8.044 0.961 -13.610 1.00 0.00 C ATOM 0 H LEU A 3 9.835 -0.127 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 3 7.893 0.337 -9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.676 2.385 -10.587 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.714 1.603 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 3 6.733 1.241 -11.955 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.608 3.249 -13.374 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.062 3.652 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.301 3.629 -12.978 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.256 1.078 -14.354 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.973 1.380 -13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.186 -0.098 -13.395 1.00 0.00 H new ATOM 57 N MET A 4 7.227 -1.590 -11.099 1.00 0.00 N ATOM 58 CA MET A 4 6.798 -2.733 -11.886 1.00 0.00 C ATOM 59 C MET A 4 5.469 -2.452 -12.589 1.00 0.00 C ATOM 60 O MET A 4 4.692 -1.598 -12.159 1.00 0.00 O ATOM 61 CB MET A 4 6.686 -3.955 -10.970 1.00 0.00 C ATOM 62 CG MET A 4 5.525 -4.875 -11.284 1.00 0.00 C ATOM 63 SD MET A 4 3.979 -4.311 -10.552 1.00 0.00 S ATOM 64 CE MET A 4 4.482 -4.115 -8.845 1.00 0.00 C ATOM 0 H MET A 4 6.605 -1.354 -10.326 1.00 0.00 H new ATOM 0 HA MET A 4 7.537 -2.930 -12.663 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.612 -4.526 -11.033 1.00 0.00 H new ATOM 0 HB3 MET A 4 6.593 -3.613 -9.939 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.406 -4.948 -12.365 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.751 -5.877 -10.920 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.599 -3.996 -8.217 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.038 -4.997 -8.526 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.116 -3.233 -8.751 1.00 0.00 H new ATOM 74 N TYR A 5 5.220 -3.186 -13.670 1.00 0.00 N ATOM 75 CA TYR A 5 3.991 -3.037 -14.443 1.00 0.00 C ATOM 76 C TYR A 5 3.287 -4.384 -14.580 1.00 0.00 C ATOM 77 O TYR A 5 3.927 -5.394 -14.873 1.00 0.00 O ATOM 78 CB TYR A 5 4.306 -2.467 -15.826 1.00 0.00 C ATOM 79 CG TYR A 5 5.165 -3.378 -16.674 1.00 0.00 C ATOM 80 CD1 TYR A 5 6.550 -3.340 -16.585 1.00 0.00 C ATOM 81 CD2 TYR A 5 4.589 -4.276 -17.565 1.00 0.00 C ATOM 82 CE1 TYR A 5 7.338 -4.170 -17.359 1.00 0.00 C ATOM 83 CE2 TYR A 5 5.370 -5.109 -18.342 1.00 0.00 C ATOM 84 CZ TYR A 5 6.744 -5.053 -18.235 1.00 0.00 C ATOM 85 OH TYR A 5 7.525 -5.880 -19.008 1.00 0.00 O ATOM 0 H TYR A 5 5.858 -3.895 -14.032 1.00 0.00 H new ATOM 0 HA TYR A 5 3.329 -2.347 -13.919 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.371 -2.271 -16.351 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.813 -1.509 -15.708 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.019 -2.650 -15.899 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.513 -4.323 -17.651 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.414 -4.127 -17.278 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.907 -5.801 -19.030 1.00 0.00 H new ATOM 0 HH TYR A 5 6.951 -6.441 -19.570 1.00 0.00 H new ATOM 95 N THR A 6 1.976 -4.407 -14.349 1.00 0.00 N ATOM 96 CA THR A 6 1.224 -5.658 -14.434 1.00 0.00 C ATOM 97 C THR A 6 0.135 -5.636 -15.510 1.00 0.00 C ATOM 98 O THR A 6 -0.539 -4.630 -15.720 1.00 0.00 O ATOM 99 CB THR A 6 0.575 -6.018 -13.083 1.00 0.00 C ATOM 100 OG1 THR A 6 -0.809 -5.650 -13.051 1.00 0.00 O ATOM 101 CG2 THR A 6 1.288 -5.323 -11.932 1.00 0.00 C ATOM 0 H THR A 6 1.419 -3.588 -14.105 1.00 0.00 H new ATOM 0 HA THR A 6 1.959 -6.415 -14.710 1.00 0.00 H new ATOM 0 HB THR A 6 0.662 -7.099 -12.971 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.345 -6.417 -12.760 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.810 -5.594 -10.991 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.333 -5.633 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.233 -4.243 -12.069 1.00 0.00 H new ATOM 109 N LEU A 7 -0.028 -6.783 -16.169 1.00 0.00 N ATOM 110 CA LEU A 7 -1.031 -6.973 -17.212 1.00 0.00 C ATOM 111 C LEU A 7 -1.907 -8.174 -16.855 1.00 0.00 C ATOM 112 O LEU A 7 -2.061 -9.099 -17.653 1.00 0.00 O ATOM 113 CB LEU A 7 -0.357 -7.227 -18.570 1.00 0.00 C ATOM 114 CG LEU A 7 0.279 -6.006 -19.237 1.00 0.00 C ATOM 115 CD1 LEU A 7 0.859 -5.066 -18.196 1.00 0.00 C ATOM 116 CD2 LEU A 7 1.354 -6.440 -20.222 1.00 0.00 C ATOM 0 H LEU A 7 0.538 -7.613 -15.991 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.639 -6.071 -17.283 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.413 -7.986 -18.435 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.100 -7.643 -19.251 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.497 -5.471 -19.784 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.306 -4.205 -18.692 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.066 -4.729 -17.528 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.622 -5.588 -17.619 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.797 -5.560 -20.688 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.127 -6.999 -19.694 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.910 -7.073 -20.990 1.00 0.00 H new ATOM 128 N GLY A 8 -2.445 -8.174 -15.637 1.00 0.00 N ATOM 129 CA GLY A 8 -3.259 -9.292 -15.182 1.00 0.00 C ATOM 130 C GLY A 8 -4.752 -9.103 -15.383 1.00 0.00 C ATOM 131 O GLY A 8 -5.323 -9.638 -16.333 1.00 0.00 O ATOM 0 H GLY A 8 -2.333 -7.422 -14.957 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.945 -10.193 -15.709 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.066 -9.459 -14.122 1.00 0.00 H new ATOM 135 N PRO A 9 -5.417 -8.353 -14.492 1.00 0.00 N ATOM 136 CA PRO A 9 -6.864 -8.109 -14.575 1.00 0.00 C ATOM 137 C PRO A 9 -7.255 -7.462 -15.891 1.00 0.00 C ATOM 138 O PRO A 9 -8.328 -7.725 -16.434 1.00 0.00 O ATOM 139 CB PRO A 9 -7.137 -7.152 -13.408 1.00 0.00 C ATOM 140 CG PRO A 9 -5.805 -6.570 -13.085 1.00 0.00 C ATOM 141 CD PRO A 9 -4.823 -7.676 -13.333 1.00 0.00 C ATOM 0 HA PRO A 9 -7.438 -9.034 -14.523 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.851 -6.378 -13.688 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.558 -7.679 -12.552 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.591 -5.705 -13.712 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.764 -6.231 -12.050 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.825 -7.295 -13.550 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.731 -8.341 -12.474 1.00 0.00 H new ATOM 149 N ASP A 10 -6.370 -6.620 -16.400 1.00 0.00 N ATOM 150 CA ASP A 10 -6.609 -5.936 -17.657 1.00 0.00 C ATOM 151 C ASP A 10 -5.562 -6.344 -18.683 1.00 0.00 C ATOM 152 O ASP A 10 -5.818 -7.169 -19.560 1.00 0.00 O ATOM 153 CB ASP A 10 -6.582 -4.420 -17.454 1.00 0.00 C ATOM 154 CG ASP A 10 -7.948 -3.858 -17.109 1.00 0.00 C ATOM 155 OD1 ASP A 10 -8.958 -4.423 -17.579 1.00 0.00 O ATOM 156 OD2 ASP A 10 -8.007 -2.854 -16.369 1.00 0.00 O ATOM 0 H ASP A 10 -5.478 -6.395 -15.959 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.595 -6.221 -18.025 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.880 -4.175 -16.657 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.214 -3.941 -18.361 1.00 0.00 H new ATOM 161 N GLY A 11 -4.380 -5.757 -18.560 1.00 0.00 N ATOM 162 CA GLY A 11 -3.297 -6.053 -19.465 1.00 0.00 C ATOM 163 C GLY A 11 -2.740 -4.789 -20.055 1.00 0.00 C ATOM 164 O GLY A 11 -2.960 -4.488 -21.228 1.00 0.00 O ATOM 0 H GLY A 11 -4.154 -5.073 -17.838 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.510 -6.591 -18.936 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.650 -6.708 -20.262 1.00 0.00 H new ATOM 168 N LYS A 12 -2.029 -4.033 -19.232 1.00 0.00 N ATOM 169 CA LYS A 12 -1.459 -2.777 -19.683 1.00 0.00 C ATOM 170 C LYS A 12 -0.074 -2.559 -19.097 1.00 0.00 C ATOM 171 O LYS A 12 0.935 -2.704 -19.787 1.00 0.00 O ATOM 172 CB LYS A 12 -2.372 -1.611 -19.302 1.00 0.00 C ATOM 173 CG LYS A 12 -1.794 -0.250 -19.652 1.00 0.00 C ATOM 174 CD LYS A 12 -2.096 0.777 -18.574 1.00 0.00 C ATOM 175 CE LYS A 12 -3.463 1.409 -18.778 1.00 0.00 C ATOM 176 NZ LYS A 12 -3.383 2.650 -19.597 1.00 0.00 N ATOM 0 H LYS A 12 -1.835 -4.266 -18.258 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.369 -2.823 -20.768 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.331 -1.731 -19.807 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.569 -1.649 -18.231 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.715 -0.335 -19.783 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.206 0.088 -20.603 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.056 0.301 -17.594 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.330 1.552 -18.583 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.125 0.694 -19.266 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.904 1.641 -17.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.335 3.051 -19.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.772 3.343 -19.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.986 2.424 -20.531 1.00 0.00 H new ATOM 190 N ARG A 13 -0.037 -2.203 -17.821 1.00 0.00 N ATOM 191 CA ARG A 13 1.220 -1.955 -17.134 1.00 0.00 C ATOM 192 C ARG A 13 0.971 -1.446 -15.720 1.00 0.00 C ATOM 193 O ARG A 13 1.576 -0.462 -15.295 1.00 0.00 O ATOM 194 CB ARG A 13 2.056 -0.936 -17.909 1.00 0.00 C ATOM 195 CG ARG A 13 3.097 -1.562 -18.822 1.00 0.00 C ATOM 196 CD ARG A 13 4.394 -0.770 -18.811 1.00 0.00 C ATOM 197 NE ARG A 13 4.649 -0.119 -20.094 1.00 0.00 N ATOM 198 CZ ARG A 13 3.963 0.930 -20.538 1.00 0.00 C ATOM 199 NH1 ARG A 13 2.988 1.449 -19.804 1.00 0.00 N ATOM 200 NH2 ARG A 13 4.253 1.464 -21.717 1.00 0.00 N ATOM 0 H ARG A 13 -0.866 -2.079 -17.240 1.00 0.00 H new ATOM 0 HA ARG A 13 1.766 -2.897 -17.076 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.390 -0.313 -18.506 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.558 -0.277 -17.200 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.292 -2.586 -18.505 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.708 -1.612 -19.839 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.352 -0.017 -18.024 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.223 -1.436 -18.571 1.00 0.00 H new ATOM 0 HE ARG A 13 5.395 -0.490 -20.682 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.762 1.043 -18.896 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.464 2.254 -20.148 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.003 1.070 -22.285 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.726 2.269 -22.056 1.00 0.00 H new ATOM 214 N ILE A 14 0.078 -2.116 -14.996 1.00 0.00 N ATOM 215 CA ILE A 14 -0.241 -1.718 -13.632 1.00 0.00 C ATOM 216 C ILE A 14 1.007 -1.214 -12.920 1.00 0.00 C ATOM 217 O ILE A 14 1.845 -2.004 -12.484 1.00 0.00 O ATOM 218 CB ILE A 14 -0.857 -2.878 -12.823 1.00 0.00 C ATOM 219 CG1 ILE A 14 -2.148 -3.363 -13.482 1.00 0.00 C ATOM 220 CG2 ILE A 14 -1.128 -2.445 -11.391 1.00 0.00 C ATOM 221 CD1 ILE A 14 -3.073 -4.099 -12.537 1.00 0.00 C ATOM 0 H ILE A 14 -0.434 -2.932 -15.331 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.978 -0.918 -13.696 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.143 -3.702 -12.807 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.676 -2.506 -13.900 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.896 -4.020 -14.315 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.562 -3.276 -10.836 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.193 -2.143 -10.919 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.823 -1.605 -11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.968 -4.413 -13.075 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.563 -4.976 -12.138 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.355 -3.439 -11.717 1.00 0.00 H new ATOM 233 N TYR A 15 1.128 0.107 -12.828 1.00 0.00 N ATOM 234 CA TYR A 15 2.276 0.737 -12.190 1.00 0.00 C ATOM 235 C TYR A 15 2.288 0.478 -10.690 1.00 0.00 C ATOM 236 O TYR A 15 1.263 0.589 -10.017 1.00 0.00 O ATOM 237 CB TYR A 15 2.268 2.243 -12.456 1.00 0.00 C ATOM 238 CG TYR A 15 3.039 2.645 -13.693 1.00 0.00 C ATOM 239 CD1 TYR A 15 4.239 2.025 -14.019 1.00 0.00 C ATOM 240 CD2 TYR A 15 2.567 3.644 -14.535 1.00 0.00 C ATOM 241 CE1 TYR A 15 4.947 2.390 -15.148 1.00 0.00 C ATOM 242 CE2 TYR A 15 3.269 4.014 -15.667 1.00 0.00 C ATOM 243 CZ TYR A 15 4.458 3.384 -15.969 1.00 0.00 C ATOM 244 OH TYR A 15 5.159 3.750 -17.095 1.00 0.00 O ATOM 0 H TYR A 15 0.438 0.765 -13.191 1.00 0.00 H new ATOM 0 HA TYR A 15 3.177 0.299 -12.619 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.236 2.580 -12.556 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.689 2.758 -11.593 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.625 1.245 -13.379 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.636 4.140 -14.301 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.879 1.899 -15.386 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.888 4.792 -16.312 1.00 0.00 H new ATOM 0 HH TYR A 15 4.677 4.463 -17.563 1.00 0.00 H new ATOM 254 N THR A 16 3.461 0.138 -10.177 1.00 0.00 N ATOM 255 CA THR A 16 3.631 -0.136 -8.757 1.00 0.00 C ATOM 256 C THR A 16 5.106 -0.132 -8.378 1.00 0.00 C ATOM 257 O THR A 16 5.940 0.380 -9.122 1.00 0.00 O ATOM 258 CB THR A 16 3.014 -1.489 -8.366 1.00 0.00 C ATOM 259 OG1 THR A 16 2.467 -2.166 -9.504 1.00 0.00 O ATOM 260 CG2 THR A 16 1.910 -1.298 -7.342 1.00 0.00 C ATOM 0 H THR A 16 4.315 0.045 -10.727 1.00 0.00 H new ATOM 0 HA THR A 16 3.114 0.656 -8.215 1.00 0.00 H new ATOM 0 HB THR A 16 3.816 -2.093 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.191 -2.419 -10.114 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.486 -2.267 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.320 -0.826 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.130 -0.663 -7.762 1.00 0.00 H new ATOM 268 N LEU A 17 5.425 -0.705 -7.221 1.00 0.00 N ATOM 269 CA LEU A 17 6.807 -0.763 -6.756 1.00 0.00 C ATOM 270 C LEU A 17 7.012 -1.922 -5.785 1.00 0.00 C ATOM 271 O LEU A 17 6.049 -2.506 -5.288 1.00 0.00 O ATOM 272 CB LEU A 17 7.198 0.555 -6.085 1.00 0.00 C ATOM 273 CG LEU A 17 8.265 1.365 -6.823 1.00 0.00 C ATOM 274 CD1 LEU A 17 7.775 2.780 -7.085 1.00 0.00 C ATOM 275 CD2 LEU A 17 9.562 1.386 -6.027 1.00 0.00 C ATOM 0 H LEU A 17 4.748 -1.134 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 17 7.446 -0.926 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.305 1.170 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.558 0.340 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 17 8.458 0.887 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.548 3.341 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.873 2.745 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.553 3.270 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.311 1.966 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.383 1.840 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.922 0.366 -5.891 1.00 0.00 H new ATOM 287 N LYS A 18 8.273 -2.251 -5.524 1.00 0.00 N ATOM 288 CA LYS A 18 8.607 -3.343 -4.616 1.00 0.00 C ATOM 289 C LYS A 18 9.487 -2.857 -3.467 1.00 0.00 C ATOM 290 O LYS A 18 9.500 -3.453 -2.389 1.00 0.00 O ATOM 291 CB LYS A 18 9.318 -4.465 -5.375 1.00 0.00 C ATOM 292 CG LYS A 18 8.836 -5.855 -4.995 1.00 0.00 C ATOM 293 CD LYS A 18 8.480 -6.675 -6.225 1.00 0.00 C ATOM 294 CE LYS A 18 7.064 -6.386 -6.695 1.00 0.00 C ATOM 295 NZ LYS A 18 6.634 -7.319 -7.773 1.00 0.00 N ATOM 0 H LYS A 18 9.081 -1.777 -5.928 1.00 0.00 H new ATOM 0 HA LYS A 18 7.676 -3.725 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.171 -4.318 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.390 -4.397 -5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.612 -6.368 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.965 -5.774 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.183 -6.453 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.580 -7.736 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.378 -6.466 -5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.005 -5.360 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.663 -7.088 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.273 -7.225 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.666 -8.296 -7.419 1.00 0.00 H new ATOM 309 N LYS A 19 10.223 -1.775 -3.701 1.00 0.00 N ATOM 310 CA LYS A 19 11.106 -1.216 -2.683 1.00 0.00 C ATOM 311 C LYS A 19 10.365 -1.043 -1.358 1.00 0.00 C ATOM 312 O LYS A 19 9.148 -1.215 -1.289 1.00 0.00 O ATOM 313 CB LYS A 19 11.692 0.121 -3.167 1.00 0.00 C ATOM 314 CG LYS A 19 11.146 1.349 -2.453 1.00 0.00 C ATOM 315 CD LYS A 19 11.890 2.607 -2.870 1.00 0.00 C ATOM 316 CE LYS A 19 13.044 2.906 -1.929 1.00 0.00 C ATOM 317 NZ LYS A 19 13.435 4.342 -1.968 1.00 0.00 N ATOM 0 H LYS A 19 10.226 -1.268 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 19 11.928 -1.911 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.774 0.095 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.498 0.222 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.085 1.461 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.232 1.214 -1.375 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.268 2.488 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.201 3.452 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.763 2.634 -0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.901 2.289 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.226 4.504 -1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.728 4.596 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.625 4.930 -1.686 1.00 0.00 H new ATOM 331 N VAL A 20 11.108 -0.701 -0.311 1.00 0.00 N ATOM 332 CA VAL A 20 10.523 -0.505 1.011 1.00 0.00 C ATOM 333 C VAL A 20 9.146 0.143 0.917 1.00 0.00 C ATOM 334 O VAL A 20 8.174 -0.357 1.484 1.00 0.00 O ATOM 335 CB VAL A 20 11.428 0.368 1.901 1.00 0.00 C ATOM 336 CG1 VAL A 20 10.709 0.748 3.186 1.00 0.00 C ATOM 337 CG2 VAL A 20 12.734 -0.351 2.203 1.00 0.00 C ATOM 0 H VAL A 20 12.116 -0.554 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 20 10.425 -1.493 1.461 1.00 0.00 H new ATOM 0 HB VAL A 20 11.662 1.285 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.365 1.364 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.805 1.308 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.441 -0.155 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.360 0.281 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.523 -1.286 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.256 -0.564 1.270 1.00 0.00 H new ATOM 347 N THR A 21 9.069 1.259 0.199 1.00 0.00 N ATOM 348 CA THR A 21 7.811 1.977 0.032 1.00 0.00 C ATOM 349 C THR A 21 7.038 1.461 -1.176 1.00 0.00 C ATOM 350 O THR A 21 6.735 2.216 -2.101 1.00 0.00 O ATOM 351 CB THR A 21 8.046 3.490 -0.131 1.00 0.00 C ATOM 352 OG1 THR A 21 8.715 4.041 1.010 1.00 0.00 O ATOM 353 CG2 THR A 21 6.728 4.225 -0.319 1.00 0.00 C ATOM 0 H THR A 21 9.864 1.686 -0.277 1.00 0.00 H new ATOM 0 HA THR A 21 7.226 1.802 0.935 1.00 0.00 H new ATOM 0 HB THR A 21 8.672 3.620 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.330 4.917 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.919 5.292 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.226 3.850 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.092 4.061 0.551 1.00 0.00 H new ATOM 361 N GLU A 22 6.719 0.172 -1.161 1.00 0.00 N ATOM 362 CA GLU A 22 5.978 -0.445 -2.255 1.00 0.00 C ATOM 363 C GLU A 22 4.495 -0.541 -1.917 1.00 0.00 C ATOM 364 O GLU A 22 4.078 -1.421 -1.164 1.00 0.00 O ATOM 365 CB GLU A 22 6.534 -1.839 -2.554 1.00 0.00 C ATOM 366 CG GLU A 22 6.751 -2.687 -1.312 1.00 0.00 C ATOM 367 CD GLU A 22 6.103 -4.053 -1.417 1.00 0.00 C ATOM 368 OE1 GLU A 22 5.974 -4.563 -2.550 1.00 0.00 O ATOM 369 OE2 GLU A 22 5.724 -4.613 -0.367 1.00 0.00 O ATOM 0 H GLU A 22 6.962 -0.466 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 22 6.094 0.182 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.848 -2.359 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.481 -1.737 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.821 -2.809 -1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.348 -2.164 -0.445 1.00 0.00 H new ATOM 376 N SER A 23 3.703 0.368 -2.474 1.00 0.00 N ATOM 377 CA SER A 23 2.268 0.377 -2.222 1.00 0.00 C ATOM 378 C SER A 23 1.982 0.318 -0.733 1.00 0.00 C ATOM 379 O SER A 23 2.899 0.279 0.087 1.00 0.00 O ATOM 380 CB SER A 23 1.597 -0.800 -2.921 1.00 0.00 C ATOM 381 OG SER A 23 2.325 -1.999 -2.714 1.00 0.00 O ATOM 0 H SER A 23 4.029 1.105 -3.100 1.00 0.00 H new ATOM 0 HA SER A 23 1.862 1.307 -2.620 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.581 -0.919 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.521 -0.597 -3.989 1.00 0.00 H new ATOM 0 HG SER A 23 2.694 -2.005 -1.806 1.00 0.00 H new ATOM 387 N GLY A 24 0.703 0.312 -0.390 1.00 0.00 N ATOM 388 CA GLY A 24 0.319 0.256 1.007 1.00 0.00 C ATOM 389 C GLY A 24 -0.046 -1.145 1.453 1.00 0.00 C ATOM 390 O GLY A 24 0.560 -2.121 1.009 1.00 0.00 O ATOM 0 H GLY A 24 -0.074 0.345 -1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.140 0.627 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.529 0.920 1.174 1.00 0.00 H new ATOM 394 N GLU A 25 -1.037 -1.246 2.334 1.00 0.00 N ATOM 395 CA GLU A 25 -1.477 -2.541 2.839 1.00 0.00 C ATOM 396 C GLU A 25 -1.400 -3.601 1.748 1.00 0.00 C ATOM 397 O GLU A 25 -0.780 -4.649 1.932 1.00 0.00 O ATOM 398 CB GLU A 25 -2.903 -2.448 3.384 1.00 0.00 C ATOM 399 CG GLU A 25 -3.002 -2.748 4.870 1.00 0.00 C ATOM 400 CD GLU A 25 -2.913 -1.498 5.724 1.00 0.00 C ATOM 401 OE1 GLU A 25 -2.530 -0.438 5.186 1.00 0.00 O ATOM 402 OE2 GLU A 25 -3.224 -1.580 6.931 1.00 0.00 O ATOM 0 H GLU A 25 -1.549 -0.449 2.712 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.810 -2.832 3.651 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.291 -1.447 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.539 -3.144 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.945 -3.256 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.204 -3.434 5.152 1.00 0.00 H new ATOM 409 N ILE A 26 -2.023 -3.322 0.607 1.00 0.00 N ATOM 410 CA ILE A 26 -2.007 -4.257 -0.510 1.00 0.00 C ATOM 411 C ILE A 26 -0.569 -4.591 -0.902 1.00 0.00 C ATOM 412 O ILE A 26 0.354 -3.838 -0.590 1.00 0.00 O ATOM 413 CB ILE A 26 -2.762 -3.696 -1.735 1.00 0.00 C ATOM 414 CG1 ILE A 26 -3.290 -4.854 -2.602 1.00 0.00 C ATOM 415 CG2 ILE A 26 -1.869 -2.751 -2.538 1.00 0.00 C ATOM 416 CD1 ILE A 26 -3.014 -4.709 -4.086 1.00 0.00 C ATOM 0 H ILE A 26 -2.542 -2.461 0.433 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.516 -5.164 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.617 -3.115 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.844 -5.785 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.366 -4.941 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.422 -2.369 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.559 -1.919 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.988 -3.291 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.421 -5.569 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.484 -3.798 -4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.938 -4.655 -4.252 1.00 0.00 H new ATOM 428 N THR A 27 -0.379 -5.711 -1.589 1.00 0.00 N ATOM 429 CA THR A 27 0.950 -6.117 -2.018 1.00 0.00 C ATOM 430 C THR A 27 1.525 -5.098 -2.991 1.00 0.00 C ATOM 431 O THR A 27 2.732 -4.858 -3.014 1.00 0.00 O ATOM 432 CB THR A 27 0.930 -7.503 -2.691 1.00 0.00 C ATOM 433 OG1 THR A 27 -0.336 -8.151 -2.515 1.00 0.00 O ATOM 434 CG2 THR A 27 2.014 -8.400 -2.113 1.00 0.00 C ATOM 0 H THR A 27 -1.126 -6.351 -1.859 1.00 0.00 H new ATOM 0 HA THR A 27 1.576 -6.173 -1.127 1.00 0.00 H new ATOM 0 HB THR A 27 1.109 -7.342 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.319 -9.027 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.981 -9.373 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.990 -7.944 -2.278 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.849 -8.527 -1.043 1.00 0.00 H new ATOM 442 N LYS A 28 0.640 -4.501 -3.786 1.00 0.00 N ATOM 443 CA LYS A 28 1.033 -3.494 -4.772 1.00 0.00 C ATOM 444 C LYS A 28 0.046 -3.456 -5.931 1.00 0.00 C ATOM 445 O LYS A 28 -0.122 -4.451 -6.636 1.00 0.00 O ATOM 446 CB LYS A 28 2.441 -3.778 -5.300 1.00 0.00 C ATOM 447 CG LYS A 28 2.671 -5.235 -5.664 1.00 0.00 C ATOM 448 CD LYS A 28 4.050 -5.706 -5.231 1.00 0.00 C ATOM 449 CE LYS A 28 3.961 -6.870 -4.257 1.00 0.00 C ATOM 450 NZ LYS A 28 5.005 -7.898 -4.523 1.00 0.00 N ATOM 0 H LYS A 28 -0.361 -4.698 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 28 1.029 -2.523 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.622 -3.160 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.170 -3.481 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.909 -5.854 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.563 -5.364 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.625 -6.006 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.588 -4.880 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.068 -6.499 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.974 -7.328 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.755 -8.781 -4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.067 -8.073 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.924 -7.558 -4.174 1.00 0.00 H new ATOM 464 N SER A 29 -0.599 -2.301 -6.127 1.00 0.00 N ATOM 465 CA SER A 29 -1.567 -2.141 -7.210 1.00 0.00 C ATOM 466 C SER A 29 -2.273 -3.461 -7.511 1.00 0.00 C ATOM 467 O SER A 29 -2.468 -4.286 -6.618 1.00 0.00 O ATOM 468 CB SER A 29 -0.868 -1.625 -8.465 1.00 0.00 C ATOM 469 OG SER A 29 -0.051 -2.627 -9.045 1.00 0.00 O ATOM 0 H SER A 29 -0.467 -1.469 -5.552 1.00 0.00 H new ATOM 0 HA SER A 29 -2.317 -1.416 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.613 -1.295 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.260 -0.756 -8.214 1.00 0.00 H new ATOM 0 HG SER A 29 0.730 -2.210 -9.465 1.00 0.00 H new ATOM 475 N ALA A 30 -2.649 -3.660 -8.771 1.00 0.00 N ATOM 476 CA ALA A 30 -3.324 -4.884 -9.177 1.00 0.00 C ATOM 477 C ALA A 30 -4.474 -5.208 -8.236 1.00 0.00 C ATOM 478 O ALA A 30 -4.700 -4.510 -7.247 1.00 0.00 O ATOM 479 CB ALA A 30 -2.348 -6.049 -9.235 1.00 0.00 C ATOM 0 H ALA A 30 -2.497 -2.990 -9.525 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.730 -4.724 -10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.877 -6.952 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.560 -5.828 -9.955 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.906 -6.203 -8.250 1.00 0.00 H new ATOM 485 N HIS A 31 -5.200 -6.270 -8.554 1.00 0.00 N ATOM 486 CA HIS A 31 -6.333 -6.691 -7.742 1.00 0.00 C ATOM 487 C HIS A 31 -5.984 -7.925 -6.915 1.00 0.00 C ATOM 488 O HIS A 31 -5.299 -8.831 -7.389 1.00 0.00 O ATOM 489 CB HIS A 31 -7.533 -6.987 -8.638 1.00 0.00 C ATOM 490 CG HIS A 31 -8.297 -5.764 -9.043 1.00 0.00 C ATOM 491 ND1 HIS A 31 -9.473 -5.375 -8.437 1.00 0.00 N ATOM 492 CD2 HIS A 31 -8.047 -4.842 -10.002 1.00 0.00 C ATOM 493 CE1 HIS A 31 -9.914 -4.268 -9.007 1.00 0.00 C ATOM 494 NE2 HIS A 31 -9.067 -3.924 -9.958 1.00 0.00 N ATOM 0 H HIS A 31 -5.025 -6.857 -9.370 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.584 -5.881 -7.058 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.188 -7.503 -9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.205 -7.669 -8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.203 -4.831 -10.676 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.815 -3.735 -8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.156 -3.108 -10.563 1.00 0.00 H new ATOM 503 N PRO A 32 -6.458 -7.971 -5.662 1.00 0.00 N ATOM 504 CA PRO A 32 -6.212 -9.080 -4.755 1.00 0.00 C ATOM 505 C PRO A 32 -7.325 -10.120 -4.811 1.00 0.00 C ATOM 506 O PRO A 32 -7.178 -11.234 -4.310 1.00 0.00 O ATOM 507 CB PRO A 32 -6.194 -8.382 -3.399 1.00 0.00 C ATOM 508 CG PRO A 32 -7.142 -7.229 -3.542 1.00 0.00 C ATOM 509 CD PRO A 32 -7.282 -6.938 -5.022 1.00 0.00 C ATOM 0 HA PRO A 32 -5.302 -9.632 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.511 -9.057 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.191 -8.039 -3.145 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.111 -7.472 -3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.765 -6.354 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.321 -6.999 -5.345 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.930 -5.936 -5.268 1.00 0.00 H new ATOM 517 N ALA A 33 -8.439 -9.739 -5.426 1.00 0.00 N ATOM 518 CA ALA A 33 -9.588 -10.625 -5.555 1.00 0.00 C ATOM 519 C ALA A 33 -10.850 -9.828 -5.864 1.00 0.00 C ATOM 520 O ALA A 33 -11.801 -10.349 -6.446 1.00 0.00 O ATOM 521 CB ALA A 33 -9.782 -11.454 -4.294 1.00 0.00 C ATOM 0 H ALA A 33 -8.570 -8.818 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.395 -11.305 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.646 -12.107 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.893 -12.059 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.946 -10.791 -3.444 1.00 0.00 H new ATOM 527 N ARG A 34 -10.847 -8.558 -5.471 1.00 0.00 N ATOM 528 CA ARG A 34 -11.986 -7.679 -5.704 1.00 0.00 C ATOM 529 C ARG A 34 -11.582 -6.218 -5.536 1.00 0.00 C ATOM 530 O ARG A 34 -10.771 -5.886 -4.671 1.00 0.00 O ATOM 531 CB ARG A 34 -13.127 -8.020 -4.743 1.00 0.00 C ATOM 532 CG ARG A 34 -12.931 -7.460 -3.344 1.00 0.00 C ATOM 533 CD ARG A 34 -11.899 -8.260 -2.565 1.00 0.00 C ATOM 534 NE ARG A 34 -12.278 -8.425 -1.165 1.00 0.00 N ATOM 535 CZ ARG A 34 -13.259 -9.224 -0.757 1.00 0.00 C ATOM 536 NH1 ARG A 34 -13.956 -9.926 -1.640 1.00 0.00 N ATOM 537 NH2 ARG A 34 -13.542 -9.323 0.535 1.00 0.00 N ATOM 0 H ARG A 34 -10.066 -8.114 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.329 -7.830 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.062 -7.636 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.227 -9.104 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.614 -6.419 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.881 -7.471 -2.810 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.777 -9.240 -3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.933 -7.759 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.762 -7.898 -0.461 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.740 -9.853 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.708 -10.539 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.007 -8.786 1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.295 -9.936 0.847 1.00 0.00 H new ATOM 551 N PHE A 35 -12.148 -5.351 -6.368 1.00 0.00 N ATOM 552 CA PHE A 35 -11.843 -3.925 -6.311 1.00 0.00 C ATOM 553 C PHE A 35 -11.624 -3.472 -4.871 1.00 0.00 C ATOM 554 O PHE A 35 -12.580 -3.227 -4.135 1.00 0.00 O ATOM 555 CB PHE A 35 -12.972 -3.113 -6.947 1.00 0.00 C ATOM 556 CG PHE A 35 -12.558 -1.727 -7.355 1.00 0.00 C ATOM 557 CD1 PHE A 35 -12.023 -1.491 -8.611 1.00 0.00 C ATOM 558 CD2 PHE A 35 -12.704 -0.662 -6.481 1.00 0.00 C ATOM 559 CE1 PHE A 35 -11.642 -0.217 -8.988 1.00 0.00 C ATOM 560 CE2 PHE A 35 -12.324 0.614 -6.853 1.00 0.00 C ATOM 561 CZ PHE A 35 -11.792 0.837 -8.108 1.00 0.00 C ATOM 0 H PHE A 35 -12.820 -5.610 -7.090 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.923 -3.754 -6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -13.343 -3.645 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.800 -3.043 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.902 -2.311 -9.303 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -13.119 -0.831 -5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -11.227 -0.046 -9.970 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -12.443 1.436 -6.163 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.494 1.833 -8.400 1.00 0.00 H new ATOM 571 N SER A 36 -10.359 -3.361 -4.477 1.00 0.00 N ATOM 572 CA SER A 36 -10.015 -2.935 -3.125 1.00 0.00 C ATOM 573 C SER A 36 -8.792 -2.021 -3.135 1.00 0.00 C ATOM 574 O SER A 36 -8.906 -0.819 -2.905 1.00 0.00 O ATOM 575 CB SER A 36 -9.758 -4.151 -2.232 1.00 0.00 C ATOM 576 OG SER A 36 -10.956 -4.597 -1.620 1.00 0.00 O ATOM 0 H SER A 36 -9.556 -3.560 -5.074 1.00 0.00 H new ATOM 0 HA SER A 36 -10.858 -2.374 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.327 -4.957 -2.826 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.028 -3.895 -1.465 1.00 0.00 H new ATOM 0 HG SER A 36 -10.765 -5.376 -1.056 1.00 0.00 H new ATOM 582 N PRO A 37 -7.603 -2.583 -3.408 1.00 0.00 N ATOM 583 CA PRO A 37 -6.353 -1.813 -3.451 1.00 0.00 C ATOM 584 C PRO A 37 -6.344 -0.783 -4.566 1.00 0.00 C ATOM 585 O PRO A 37 -7.111 -0.883 -5.524 1.00 0.00 O ATOM 586 CB PRO A 37 -5.282 -2.874 -3.700 1.00 0.00 C ATOM 587 CG PRO A 37 -6.008 -4.024 -4.305 1.00 0.00 C ATOM 588 CD PRO A 37 -7.383 -4.008 -3.701 1.00 0.00 C ATOM 0 HA PRO A 37 -6.201 -1.243 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.506 -2.502 -4.369 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.790 -3.163 -2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.057 -3.928 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.499 -4.964 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.131 -4.398 -4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.434 -4.617 -2.799 1.00 0.00 H new ATOM 596 N ASP A 38 -5.466 0.204 -4.441 1.00 0.00 N ATOM 597 CA ASP A 38 -5.359 1.242 -5.449 1.00 0.00 C ATOM 598 C ASP A 38 -5.386 0.617 -6.835 1.00 0.00 C ATOM 599 O ASP A 38 -6.183 1.003 -7.691 1.00 0.00 O ATOM 600 CB ASP A 38 -4.074 2.043 -5.255 1.00 0.00 C ATOM 601 CG ASP A 38 -2.846 1.156 -5.192 1.00 0.00 C ATOM 602 OD1 ASP A 38 -2.313 0.803 -6.265 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.418 0.813 -4.070 1.00 0.00 O ATOM 0 H ASP A 38 -4.823 0.305 -3.656 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.206 1.921 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.964 2.753 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.147 2.625 -4.336 1.00 0.00 H new ATOM 608 N ASP A 39 -4.499 -0.348 -7.054 1.00 0.00 N ATOM 609 CA ASP A 39 -4.424 -1.020 -8.336 1.00 0.00 C ATOM 610 C ASP A 39 -3.646 -0.167 -9.309 1.00 0.00 C ATOM 611 O ASP A 39 -3.600 -0.456 -10.503 1.00 0.00 O ATOM 612 CB ASP A 39 -5.832 -1.269 -8.879 1.00 0.00 C ATOM 613 CG ASP A 39 -6.033 -2.699 -9.341 1.00 0.00 C ATOM 614 OD1 ASP A 39 -6.414 -3.543 -8.503 1.00 0.00 O ATOM 615 OD2 ASP A 39 -5.813 -2.973 -10.539 1.00 0.00 O ATOM 0 H ASP A 39 -3.827 -0.678 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.919 -1.977 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.563 -1.035 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.022 -0.592 -9.712 1.00 0.00 H new ATOM 620 N LYS A 40 -3.062 0.907 -8.789 1.00 0.00 N ATOM 621 CA LYS A 40 -2.319 1.833 -9.611 1.00 0.00 C ATOM 622 C LYS A 40 -3.291 2.831 -10.239 1.00 0.00 C ATOM 623 O LYS A 40 -2.932 3.599 -11.129 1.00 0.00 O ATOM 624 CB LYS A 40 -1.534 1.070 -10.685 1.00 0.00 C ATOM 625 CG LYS A 40 -2.221 1.021 -12.036 1.00 0.00 C ATOM 626 CD LYS A 40 -1.762 2.168 -12.900 1.00 0.00 C ATOM 627 CE LYS A 40 -2.909 2.764 -13.700 1.00 0.00 C ATOM 628 NZ LYS A 40 -2.886 2.317 -15.120 1.00 0.00 N ATOM 0 H LYS A 40 -3.093 1.151 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.600 2.380 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.555 1.535 -10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.363 0.051 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.000 0.074 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.302 1.067 -11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.316 2.940 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.985 1.822 -13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.857 2.477 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.852 3.852 -13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.684 2.745 -15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.992 2.612 -15.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.966 1.281 -15.159 1.00 0.00 H new ATOM 642 N TYR A 41 -4.538 2.791 -9.771 1.00 0.00 N ATOM 643 CA TYR A 41 -5.581 3.660 -10.287 1.00 0.00 C ATOM 644 C TYR A 41 -5.817 4.860 -9.378 1.00 0.00 C ATOM 645 O TYR A 41 -6.935 5.366 -9.278 1.00 0.00 O ATOM 646 CB TYR A 41 -6.865 2.853 -10.441 1.00 0.00 C ATOM 647 CG TYR A 41 -6.811 1.871 -11.585 1.00 0.00 C ATOM 648 CD1 TYR A 41 -5.732 1.010 -11.726 1.00 0.00 C ATOM 649 CD2 TYR A 41 -7.832 1.807 -12.524 1.00 0.00 C ATOM 650 CE1 TYR A 41 -5.671 0.110 -12.772 1.00 0.00 C ATOM 651 CE2 TYR A 41 -7.779 0.910 -13.573 1.00 0.00 C ATOM 652 CZ TYR A 41 -6.697 0.064 -13.693 1.00 0.00 C ATOM 653 OH TYR A 41 -6.640 -0.832 -14.736 1.00 0.00 O ATOM 0 H TYR A 41 -4.846 2.160 -9.031 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.263 4.047 -11.255 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.061 2.313 -9.515 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.700 3.536 -10.595 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.927 1.044 -11.007 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.681 2.469 -12.433 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -4.825 -0.554 -12.868 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.581 0.872 -14.295 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.500 -1.294 -14.818 1.00 0.00 H new ATOM 663 N SER A 42 -4.759 5.312 -8.719 1.00 0.00 N ATOM 664 CA SER A 42 -4.852 6.456 -7.819 1.00 0.00 C ATOM 665 C SER A 42 -4.175 7.683 -8.424 1.00 0.00 C ATOM 666 O SER A 42 -3.590 8.497 -7.709 1.00 0.00 O ATOM 667 CB SER A 42 -4.219 6.124 -6.468 1.00 0.00 C ATOM 668 OG SER A 42 -4.332 7.214 -5.569 1.00 0.00 O ATOM 0 H SER A 42 -3.826 4.905 -8.790 1.00 0.00 H new ATOM 0 HA SER A 42 -5.908 6.683 -7.671 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.704 5.246 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.168 5.872 -6.608 1.00 0.00 H new ATOM 0 HG SER A 42 -4.026 8.034 -6.009 1.00 0.00 H new ATOM 674 N ARG A 43 -4.262 7.810 -9.744 1.00 0.00 N ATOM 675 CA ARG A 43 -3.661 8.938 -10.447 1.00 0.00 C ATOM 676 C ARG A 43 -2.236 9.189 -9.961 1.00 0.00 C ATOM 677 O ARG A 43 -2.026 9.761 -8.892 1.00 0.00 O ATOM 678 CB ARG A 43 -4.509 10.196 -10.252 1.00 0.00 C ATOM 679 CG ARG A 43 -4.709 10.999 -11.528 1.00 0.00 C ATOM 680 CD ARG A 43 -6.022 10.646 -12.208 1.00 0.00 C ATOM 681 NE ARG A 43 -6.490 11.717 -13.084 1.00 0.00 N ATOM 682 CZ ARG A 43 -7.743 11.820 -13.516 1.00 0.00 C ATOM 683 NH1 ARG A 43 -8.647 10.919 -13.154 1.00 0.00 N ATOM 684 NH2 ARG A 43 -8.093 12.823 -14.308 1.00 0.00 N ATOM 0 H ARG A 43 -4.743 7.145 -10.349 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.623 8.694 -11.509 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.483 9.910 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.035 10.831 -9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.693 12.064 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.881 10.810 -12.212 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.895 9.732 -12.789 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.779 10.440 -11.451 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.818 12.425 -13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.381 10.146 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.608 10.999 -13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.400 13.518 -14.587 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.055 12.900 -14.638 1.00 0.00 H new ATOM 698 N GLN A 44 -1.261 8.760 -10.756 1.00 0.00 N ATOM 699 CA GLN A 44 0.144 8.941 -10.408 1.00 0.00 C ATOM 700 C GLN A 44 0.521 10.420 -10.422 1.00 0.00 C ATOM 701 O GLN A 44 -0.234 11.257 -10.917 1.00 0.00 O ATOM 702 CB GLN A 44 1.036 8.166 -11.379 1.00 0.00 C ATOM 703 CG GLN A 44 2.513 8.500 -11.248 1.00 0.00 C ATOM 704 CD GLN A 44 3.388 7.632 -12.130 1.00 0.00 C ATOM 705 OE1 GLN A 44 4.374 7.055 -11.670 1.00 0.00 O ATOM 706 NE2 GLN A 44 3.032 7.535 -13.406 1.00 0.00 N ATOM 0 H GLN A 44 -1.418 8.285 -11.645 1.00 0.00 H new ATOM 0 HA GLN A 44 0.296 8.555 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.898 7.098 -11.212 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.714 8.374 -12.399 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.669 9.547 -11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.818 8.379 -10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.207 8.030 -13.744 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.583 6.965 -14.047 1.00 0.00 H new ATOM 715 N ARG A 45 1.692 10.734 -9.873 1.00 0.00 N ATOM 716 CA ARG A 45 2.166 12.112 -9.822 1.00 0.00 C ATOM 717 C ARG A 45 1.614 12.832 -8.595 1.00 0.00 C ATOM 718 O ARG A 45 1.991 13.968 -8.307 1.00 0.00 O ATOM 719 CB ARG A 45 1.763 12.863 -11.093 1.00 0.00 C ATOM 720 CG ARG A 45 2.562 14.135 -11.328 1.00 0.00 C ATOM 721 CD ARG A 45 1.839 15.079 -12.276 1.00 0.00 C ATOM 722 NE ARG A 45 2.227 16.471 -12.063 1.00 0.00 N ATOM 723 CZ ARG A 45 3.329 17.014 -12.570 1.00 0.00 C ATOM 724 NH1 ARG A 45 4.147 16.284 -13.316 1.00 0.00 N ATOM 725 NH2 ARG A 45 3.613 18.287 -12.334 1.00 0.00 N ATOM 0 H ARG A 45 2.328 10.053 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 45 3.254 12.092 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.888 12.202 -11.951 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.704 13.115 -11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.738 14.637 -10.376 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.539 13.882 -11.740 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.056 14.795 -13.306 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.763 14.977 -12.138 1.00 0.00 H new ATOM 0 HE ARG A 45 1.618 17.059 -11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.931 15.305 -13.501 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.992 16.702 -13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.985 18.852 -11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.459 18.702 -12.724 1.00 0.00 H new ATOM 739 N VAL A 46 0.718 12.164 -7.876 1.00 0.00 N ATOM 740 CA VAL A 46 0.114 12.738 -6.681 1.00 0.00 C ATOM 741 C VAL A 46 0.805 12.225 -5.421 1.00 0.00 C ATOM 742 O VAL A 46 1.625 11.309 -5.483 1.00 0.00 O ATOM 743 CB VAL A 46 -1.391 12.411 -6.601 1.00 0.00 C ATOM 744 CG1 VAL A 46 -2.091 13.340 -5.622 1.00 0.00 C ATOM 745 CG2 VAL A 46 -2.032 12.500 -7.979 1.00 0.00 C ATOM 0 H VAL A 46 0.394 11.223 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 46 0.238 13.819 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.500 11.389 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.152 13.092 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.652 13.222 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.972 14.372 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.094 12.266 -7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.910 13.509 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.551 11.789 -8.651 1.00 0.00 H new ATOM 755 N THR A 47 0.473 12.824 -4.282 1.00 0.00 N ATOM 756 CA THR A 47 1.061 12.432 -3.006 1.00 0.00 C ATOM 757 C THR A 47 2.570 12.667 -2.996 1.00 0.00 C ATOM 758 O THR A 47 3.031 13.767 -2.692 1.00 0.00 O ATOM 759 CB THR A 47 0.768 10.955 -2.674 1.00 0.00 C ATOM 760 OG1 THR A 47 1.500 10.066 -3.527 1.00 0.00 O ATOM 761 CG2 THR A 47 -0.715 10.651 -2.822 1.00 0.00 C ATOM 0 H THR A 47 -0.203 13.585 -4.217 1.00 0.00 H new ATOM 0 HA THR A 47 0.599 13.058 -2.242 1.00 0.00 H new ATOM 0 HB THR A 47 1.080 10.798 -1.641 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.379 10.336 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.897 9.603 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.286 11.283 -2.142 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.026 10.848 -3.848 1.00 0.00 H new ATOM 769 N LEU A 48 3.337 11.631 -3.326 1.00 0.00 N ATOM 770 CA LEU A 48 4.792 11.740 -3.348 1.00 0.00 C ATOM 771 C LEU A 48 5.415 10.651 -4.216 1.00 0.00 C ATOM 772 O LEU A 48 6.585 10.306 -4.048 1.00 0.00 O ATOM 773 CB LEU A 48 5.352 11.653 -1.926 1.00 0.00 C ATOM 774 CG LEU A 48 4.864 12.742 -0.968 1.00 0.00 C ATOM 775 CD1 LEU A 48 5.282 12.424 0.459 1.00 0.00 C ATOM 776 CD2 LEU A 48 5.398 14.102 -1.392 1.00 0.00 C ATOM 0 H LEU A 48 2.977 10.711 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 48 5.047 12.709 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.092 10.680 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.440 11.697 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 48 3.775 12.773 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.926 13.209 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.851 11.469 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.369 12.365 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.041 14.865 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.488 14.084 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.048 14.333 -2.398 1.00 0.00 H new ATOM 788 N LYS A 49 4.631 10.113 -5.144 1.00 0.00 N ATOM 789 CA LYS A 49 5.115 9.065 -6.036 1.00 0.00 C ATOM 790 C LYS A 49 5.267 7.737 -5.297 1.00 0.00 C ATOM 791 O LYS A 49 5.696 6.740 -5.877 1.00 0.00 O ATOM 792 CB LYS A 49 6.456 9.473 -6.650 1.00 0.00 C ATOM 793 CG LYS A 49 6.570 9.152 -8.131 1.00 0.00 C ATOM 794 CD LYS A 49 8.017 9.180 -8.596 1.00 0.00 C ATOM 795 CE LYS A 49 8.675 10.516 -8.290 1.00 0.00 C ATOM 796 NZ LYS A 49 8.967 11.288 -9.529 1.00 0.00 N ATOM 0 H LYS A 49 3.660 10.384 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 49 4.379 8.933 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.601 10.544 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.260 8.968 -6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.143 8.168 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.988 9.872 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.573 8.379 -8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.059 8.990 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.023 11.102 -7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.601 10.347 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.415 12.192 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.610 10.740 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.080 11.472 -10.041 1.00 0.00 H new ATOM 810 N LYS A 50 4.913 7.730 -4.015 1.00 0.00 N ATOM 811 CA LYS A 50 5.011 6.522 -3.203 1.00 0.00 C ATOM 812 C LYS A 50 3.656 5.833 -3.094 1.00 0.00 C ATOM 813 O LYS A 50 2.630 6.487 -2.910 1.00 0.00 O ATOM 814 CB LYS A 50 5.539 6.860 -1.808 1.00 0.00 C ATOM 815 CG LYS A 50 7.047 7.046 -1.758 1.00 0.00 C ATOM 816 CD LYS A 50 7.490 7.635 -0.429 1.00 0.00 C ATOM 817 CE LYS A 50 8.933 7.275 -0.114 1.00 0.00 C ATOM 818 NZ LYS A 50 9.893 8.225 -0.741 1.00 0.00 N ATOM 0 H LYS A 50 4.556 8.546 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 50 5.708 5.841 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.057 7.772 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.256 6.064 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.539 6.086 -1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.361 7.701 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.382 8.719 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.841 7.270 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.079 7.272 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.140 6.265 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.865 7.944 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.772 8.210 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.713 9.186 -0.386 1.00 0.00 H new ATOM 832 N ARG A 51 3.656 4.509 -3.213 1.00 0.00 N ATOM 833 CA ARG A 51 2.421 3.739 -3.130 1.00 0.00 C ATOM 834 C ARG A 51 1.365 4.331 -4.056 1.00 0.00 C ATOM 835 O ARG A 51 1.595 5.366 -4.682 1.00 0.00 O ATOM 836 CB ARG A 51 1.905 3.718 -1.690 1.00 0.00 C ATOM 837 CG ARG A 51 2.952 4.128 -0.667 1.00 0.00 C ATOM 838 CD ARG A 51 2.676 3.509 0.693 1.00 0.00 C ATOM 839 NE ARG A 51 1.964 4.427 1.577 1.00 0.00 N ATOM 840 CZ ARG A 51 1.723 4.175 2.859 1.00 0.00 C ATOM 841 NH1 ARG A 51 2.135 3.038 3.402 1.00 0.00 N ATOM 842 NH2 ARG A 51 1.070 5.061 3.599 1.00 0.00 N ATOM 0 H ARG A 51 4.495 3.949 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 51 2.628 2.716 -3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.048 4.386 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.550 2.715 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.939 3.822 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.968 5.214 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.088 2.600 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.618 3.217 1.156 1.00 0.00 H new ATOM 0 HE ARG A 51 1.633 5.311 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.638 2.355 2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.949 2.846 4.386 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.752 5.937 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.886 4.866 4.583 1.00 0.00 H new ATOM 856 N PHE A 52 0.208 3.679 -4.148 1.00 0.00 N ATOM 857 CA PHE A 52 -0.854 4.176 -5.012 1.00 0.00 C ATOM 858 C PHE A 52 -2.145 4.454 -4.243 1.00 0.00 C ATOM 859 O PHE A 52 -3.231 4.430 -4.819 1.00 0.00 O ATOM 860 CB PHE A 52 -1.125 3.214 -6.167 1.00 0.00 C ATOM 861 CG PHE A 52 -0.577 3.700 -7.476 1.00 0.00 C ATOM 862 CD1 PHE A 52 -1.321 4.559 -8.270 1.00 0.00 C ATOM 863 CD2 PHE A 52 0.671 3.295 -7.920 1.00 0.00 C ATOM 864 CE1 PHE A 52 -0.831 5.005 -9.481 1.00 0.00 C ATOM 865 CE2 PHE A 52 1.168 3.739 -9.131 1.00 0.00 C ATOM 866 CZ PHE A 52 0.416 4.596 -9.913 1.00 0.00 C ATOM 0 H PHE A 52 -0.014 2.821 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.502 5.123 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.687 2.243 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.200 3.064 -6.263 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.296 4.883 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.262 2.625 -7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.422 5.673 -10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.143 3.417 -9.466 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.802 4.945 -10.859 1.00 0.00 H new ATOM 876 N GLY A 53 -2.026 4.745 -2.950 1.00 0.00 N ATOM 877 CA GLY A 53 -3.206 5.052 -2.156 1.00 0.00 C ATOM 878 C GLY A 53 -3.617 3.944 -1.202 1.00 0.00 C ATOM 879 O GLY A 53 -4.305 4.200 -0.214 1.00 0.00 O ATOM 0 H GLY A 53 -1.143 4.774 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.019 5.960 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.037 5.265 -2.828 1.00 0.00 H new ATOM 883 N LEU A 54 -3.209 2.714 -1.489 1.00 0.00 N ATOM 884 CA LEU A 54 -3.559 1.580 -0.635 1.00 0.00 C ATOM 885 C LEU A 54 -5.065 1.518 -0.396 1.00 0.00 C ATOM 886 O LEU A 54 -5.792 2.453 -0.728 1.00 0.00 O ATOM 887 CB LEU A 54 -2.838 1.672 0.713 1.00 0.00 C ATOM 888 CG LEU A 54 -1.855 2.838 0.859 1.00 0.00 C ATOM 889 CD1 LEU A 54 -1.223 2.834 2.243 1.00 0.00 C ATOM 890 CD2 LEU A 54 -0.784 2.772 -0.220 1.00 0.00 C ATOM 0 H LEU A 54 -2.639 2.474 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.244 0.673 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.587 1.751 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.297 0.741 0.880 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.407 3.770 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.528 3.669 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.002 2.932 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.686 1.898 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.095 3.608 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.236 1.834 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.253 2.826 -1.202 1.00 0.00 H new ATOM 902 N VAL A 55 -5.518 0.418 0.205 1.00 0.00 N ATOM 903 CA VAL A 55 -6.936 0.233 0.514 1.00 0.00 C ATOM 904 C VAL A 55 -7.159 -0.931 1.471 1.00 0.00 C ATOM 905 O VAL A 55 -7.726 -0.739 2.543 1.00 0.00 O ATOM 906 CB VAL A 55 -7.796 -0.021 -0.731 1.00 0.00 C ATOM 907 CG1 VAL A 55 -9.210 -0.394 -0.304 1.00 0.00 C ATOM 908 CG2 VAL A 55 -7.807 1.195 -1.645 1.00 0.00 C ATOM 0 H VAL A 55 -4.922 -0.360 0.488 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.243 1.172 0.975 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.365 -0.848 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.821 -0.575 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.180 -1.296 0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.642 0.422 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.424 0.987 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.216 2.051 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.789 1.420 -1.964 1.00 0.00 H new ATOM 918 N PRO A 56 -6.739 -2.156 1.082 1.00 0.00 N ATOM 919 CA PRO A 56 -6.900 -3.370 1.903 1.00 0.00 C ATOM 920 C PRO A 56 -6.272 -3.202 3.272 1.00 0.00 C ATOM 921 O PRO A 56 -5.348 -3.923 3.647 1.00 0.00 O ATOM 922 CB PRO A 56 -6.153 -4.447 1.106 1.00 0.00 C ATOM 923 CG PRO A 56 -5.271 -3.675 0.191 1.00 0.00 C ATOM 924 CD PRO A 56 -6.077 -2.472 -0.187 1.00 0.00 C ATOM 0 HA PRO A 56 -7.948 -3.611 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.575 -5.099 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.843 -5.083 0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.341 -3.390 0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.000 -4.262 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.451 -1.652 -0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.792 -2.690 -0.980 1.00 0.00 H new ATOM 932 N GLY A 57 -6.771 -2.223 3.996 1.00 0.00 N ATOM 933 CA GLY A 57 -6.261 -1.923 5.302 1.00 0.00 C ATOM 934 C GLY A 57 -6.639 -2.962 6.339 1.00 0.00 C ATOM 935 O GLY A 57 -7.280 -3.964 6.021 1.00 0.00 O ATOM 0 H GLY A 57 -7.536 -1.621 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.175 -1.845 5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.636 -0.950 5.618 1.00 0.00 H new ATOM 939 N GLN A 58 -6.241 -2.722 7.585 1.00 0.00 N ATOM 940 CA GLN A 58 -6.541 -3.644 8.675 1.00 0.00 C ATOM 941 C GLN A 58 -6.449 -2.938 10.024 1.00 0.00 C ATOM 942 O GLN A 58 -5.402 -2.314 10.294 1.00 0.00 O ATOM 943 CB GLN A 58 -5.580 -4.834 8.643 1.00 0.00 C ATOM 944 CG GLN A 58 -5.965 -5.954 9.596 1.00 0.00 C ATOM 945 CD GLN A 58 -6.207 -7.269 8.881 1.00 0.00 C ATOM 946 OE1 GLN A 58 -7.325 -7.560 8.454 1.00 0.00 O ATOM 947 NE2 GLN A 58 -5.158 -8.073 8.748 1.00 0.00 N ATOM 948 OXT GLN A 58 -7.426 -3.014 10.798 1.00 0.00 O ATOM 0 H GLN A 58 -5.710 -1.897 7.865 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.561 -4.006 8.542 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.539 -5.230 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.577 -4.487 8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.174 -6.086 10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.865 -5.670 10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.250 -7.792 9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.261 -8.972 8.277 1.00 0.00 H new TER 957 GLN A 58