USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 577 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 64 THR OG1 : rot -92:sc= 0.491! USER MOD Set 1.2: A 69 LYS NZ :NH3+ 156:sc= -7.44! (180deg=-7.76!) USER MOD Set 2.1: A 58 GLN :FLIP amide:sc= -1.91 F(o=-3.6!,f=1.6) USER MOD Set 2.2: A 71 TYR OH : rot 139:sc= 1.18 USER MOD Set 2.3: A 73 TYR OH : rot -73:sc= 2.28 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -107:sc= 0.844 (180deg=-4.6!) USER MOD Set 3.2: A 21 THR OG1 : rot -130:sc= 0.512 USER MOD Single : A 1 CYS N :NH3+ 157:sc= -4.01! (180deg=-5.61!) USER MOD Single : A 2 LYS NZ :NH3+ -123:sc= 1.18 (180deg=-0.44) USER MOD Single : A 3 THR OG1 : rot 133:sc= 0.13 USER MOD Single : A 5 ASN : amide:sc= -0.791! C(o=-0.79!,f=-8.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.21! C(o=-2.2!,f=-1.7!) USER MOD Single : A 9 TYR OH : rot 90:sc= -0.494 USER MOD Single : A 12 THR OG1 : rot -116:sc= 1.19 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 71:sc= 0.762 USER MOD Single : A 16 THR OG1 : rot -12:sc= -4.21! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 1.08 K(o=1.1,f=-0.28) USER MOD Single : A 23 GLN : amide:sc= -19.1! C(o=-19!,f=-20!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -170:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.569 USER MOD Single : A 28 THR OG1 : rot 23:sc= 0.5 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -12! C(o=-12!,f=-16!) USER MOD Single : A 36 SER OG : rot -55:sc= 1.09 USER MOD Single : A 39 THR OG1 : rot -17:sc= 0.24! USER MOD Single : A 40 HIS : no HE2:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.617 USER MOD Single : A 48 ASN :FLIP amide:sc= -1.77 F(o=-7.9!,f=-1.8) USER MOD Single : A 49 TYR OH : rot 165:sc= -1.73 USER MOD Single : A 52 ASN : amide:sc= 0.685 K(o=0.68,f=-11!) USER MOD Single : A 55 ASN : amide:sc= -0.0284 K(o=-0.028,f=-2) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 8.803 3.074 0.493 1.00 0.00 N ATOM 2 CA CYS A 1 9.406 1.753 0.150 1.00 0.00 C ATOM 3 C CYS A 1 9.505 1.552 -1.363 1.00 0.00 C ATOM 4 O CYS A 1 10.031 0.562 -1.823 1.00 0.00 O ATOM 5 CB CYS A 1 8.564 0.616 0.741 1.00 0.00 C ATOM 6 SG CYS A 1 9.324 -0.359 2.062 1.00 0.00 S ATOM 0 H1 CYS A 1 8.396 3.032 1.449 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.537 3.810 0.461 1.00 0.00 H new ATOM 0 H3 CYS A 1 8.054 3.302 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 1 10.411 1.739 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.637 1.043 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 1 8.292 -0.062 -0.068 1.00 0.00 H new ATOM 13 N LYS A 2 8.998 2.493 -2.104 1.00 0.00 N ATOM 14 CA LYS A 2 9.056 2.372 -3.602 1.00 0.00 C ATOM 15 C LYS A 2 10.086 3.311 -4.175 1.00 0.00 C ATOM 16 O LYS A 2 10.166 3.500 -5.377 1.00 0.00 O ATOM 17 CB LYS A 2 7.684 2.713 -4.215 1.00 0.00 C ATOM 18 CG LYS A 2 6.973 3.787 -3.370 1.00 0.00 C ATOM 19 CD LYS A 2 5.731 4.282 -4.133 1.00 0.00 C ATOM 20 CE LYS A 2 5.013 5.359 -3.308 1.00 0.00 C ATOM 21 NZ LYS A 2 4.182 4.728 -2.239 1.00 0.00 N ATOM 0 H LYS A 2 8.548 3.337 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 2 9.329 1.345 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.813 3.071 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.068 1.815 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.682 3.375 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.649 4.618 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.025 4.687 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.056 3.449 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.745 6.031 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.382 5.964 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.193 5.033 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.235 3.693 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.538 5.018 -1.306 1.00 0.00 H new ATOM 35 N THR A 3 10.853 3.880 -3.303 1.00 0.00 N ATOM 36 CA THR A 3 11.907 4.823 -3.745 1.00 0.00 C ATOM 37 C THR A 3 13.042 4.041 -4.403 1.00 0.00 C ATOM 38 O THR A 3 14.141 4.006 -3.924 1.00 0.00 O ATOM 39 CB THR A 3 12.444 5.578 -2.506 1.00 0.00 C ATOM 40 OG1 THR A 3 11.555 5.263 -1.451 1.00 0.00 O ATOM 41 CG2 THR A 3 12.296 7.097 -2.674 1.00 0.00 C ATOM 0 H THR A 3 10.797 3.733 -2.295 1.00 0.00 H new ATOM 0 HA THR A 3 11.499 5.534 -4.464 1.00 0.00 H new ATOM 0 HB THR A 3 13.487 5.307 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.068 5.017 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.682 7.600 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.858 7.423 -3.550 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.243 7.348 -2.804 1.00 0.00 H new ATOM 49 N GLY A 4 12.725 3.426 -5.495 1.00 0.00 N ATOM 50 CA GLY A 4 13.726 2.629 -6.235 1.00 0.00 C ATOM 51 C GLY A 4 13.093 2.126 -7.511 1.00 0.00 C ATOM 52 O GLY A 4 13.723 2.047 -8.543 1.00 0.00 O ATOM 0 H GLY A 4 11.796 3.442 -5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.602 3.237 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.068 1.792 -5.627 1.00 0.00 H new ATOM 56 N ASN A 5 11.845 1.793 -7.404 1.00 0.00 N ATOM 57 CA ASN A 5 11.109 1.289 -8.583 1.00 0.00 C ATOM 58 C ASN A 5 11.010 2.398 -9.609 1.00 0.00 C ATOM 59 O ASN A 5 10.919 2.163 -10.793 1.00 0.00 O ATOM 60 CB ASN A 5 9.684 0.891 -8.144 1.00 0.00 C ATOM 61 CG ASN A 5 9.738 0.049 -6.866 1.00 0.00 C ATOM 62 OD1 ASN A 5 10.691 0.078 -6.120 1.00 0.00 O ATOM 63 ND2 ASN A 5 8.728 -0.707 -6.576 1.00 0.00 N ATOM 0 H ASN A 5 11.300 1.849 -6.544 1.00 0.00 H new ATOM 0 HA ASN A 5 11.626 0.429 -9.009 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.085 1.786 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.195 0.327 -8.939 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.740 -1.271 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.920 -0.739 -7.198 1.00 0.00 H new ATOM 70 N GLY A 6 11.024 3.598 -9.109 1.00 0.00 N ATOM 71 CA GLY A 6 10.934 4.787 -10.016 1.00 0.00 C ATOM 72 C GLY A 6 11.451 6.048 -9.313 1.00 0.00 C ATOM 73 O GLY A 6 10.890 7.114 -9.470 1.00 0.00 O ATOM 0 H GLY A 6 11.094 3.814 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.515 4.605 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.900 4.936 -10.326 1.00 0.00 H new ATOM 77 N LYS A 7 12.517 5.900 -8.556 1.00 0.00 N ATOM 78 CA LYS A 7 13.076 7.078 -7.843 1.00 0.00 C ATOM 79 C LYS A 7 14.507 6.823 -7.339 1.00 0.00 C ATOM 80 O LYS A 7 15.463 7.025 -8.066 1.00 0.00 O ATOM 81 CB LYS A 7 12.167 7.398 -6.636 1.00 0.00 C ATOM 82 CG LYS A 7 11.125 8.446 -7.045 1.00 0.00 C ATOM 83 CD LYS A 7 10.754 9.294 -5.821 1.00 0.00 C ATOM 84 CE LYS A 7 10.474 10.730 -6.266 1.00 0.00 C ATOM 85 NZ LYS A 7 10.679 11.668 -5.126 1.00 0.00 N ATOM 0 H LYS A 7 13.013 5.021 -8.407 1.00 0.00 H new ATOM 0 HA LYS A 7 13.114 7.913 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.670 6.491 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.766 7.770 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.523 9.082 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.237 7.956 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.876 8.876 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.566 9.278 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.134 10.998 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.452 10.812 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.486 12.641 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.032 11.419 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.662 11.600 -4.793 1.00 0.00 H new ATOM 99 N ASN A 8 14.624 6.381 -6.099 1.00 0.00 N ATOM 100 CA ASN A 8 15.992 6.107 -5.523 1.00 0.00 C ATOM 101 C ASN A 8 15.914 5.864 -4.006 1.00 0.00 C ATOM 102 O ASN A 8 15.057 6.412 -3.335 1.00 0.00 O ATOM 103 CB ASN A 8 16.903 7.338 -5.776 1.00 0.00 C ATOM 104 CG ASN A 8 16.081 8.628 -5.697 1.00 0.00 C ATOM 105 OD1 ASN A 8 15.671 9.055 -4.643 1.00 0.00 O ATOM 106 ND2 ASN A 8 15.820 9.276 -6.789 1.00 0.00 N ATOM 0 H ASN A 8 13.843 6.200 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 8 16.396 5.216 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 8 17.706 7.364 -5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 8 17.373 7.257 -6.756 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.274 10.137 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.161 8.925 -7.684 1.00 0.00 H new ATOM 113 N TYR A 9 16.814 5.050 -3.491 1.00 0.00 N ATOM 114 CA TYR A 9 16.792 4.769 -2.016 1.00 0.00 C ATOM 115 C TYR A 9 18.173 4.379 -1.465 1.00 0.00 C ATOM 116 O TYR A 9 19.179 4.511 -2.134 1.00 0.00 O ATOM 117 CB TYR A 9 15.826 3.595 -1.763 1.00 0.00 C ATOM 118 CG TYR A 9 16.054 2.456 -2.793 1.00 0.00 C ATOM 119 CD1 TYR A 9 17.259 2.319 -3.467 1.00 0.00 C ATOM 120 CD2 TYR A 9 15.043 1.552 -3.064 1.00 0.00 C ATOM 121 CE1 TYR A 9 17.440 1.306 -4.385 1.00 0.00 C ATOM 122 CE2 TYR A 9 15.232 0.539 -3.984 1.00 0.00 C ATOM 123 CZ TYR A 9 16.432 0.412 -4.650 1.00 0.00 C ATOM 124 OH TYR A 9 16.621 -0.594 -5.570 1.00 0.00 O ATOM 0 H TYR A 9 17.548 4.577 -4.018 1.00 0.00 H new ATOM 0 HA TYR A 9 16.477 5.681 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 9 15.971 3.211 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 9 14.796 3.947 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 9 18.063 3.013 -3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 9 14.096 1.639 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 9 18.384 1.215 -4.901 1.00 0.00 H new ATOM 0 HE2 TYR A 9 14.433 -0.159 -4.183 1.00 0.00 H new ATOM 0 HH TYR A 9 16.981 -1.386 -5.119 1.00 0.00 H new ATOM 134 N ARG A 10 18.177 3.907 -0.237 1.00 0.00 N ATOM 135 CA ARG A 10 19.457 3.493 0.409 1.00 0.00 C ATOM 136 C ARG A 10 19.275 2.174 1.182 1.00 0.00 C ATOM 137 O ARG A 10 20.105 1.294 1.110 1.00 0.00 O ATOM 138 CB ARG A 10 19.879 4.603 1.398 1.00 0.00 C ATOM 139 CG ARG A 10 20.855 5.567 0.698 1.00 0.00 C ATOM 140 CD ARG A 10 21.067 6.809 1.579 1.00 0.00 C ATOM 141 NE ARG A 10 22.532 7.136 1.616 1.00 0.00 N ATOM 142 CZ ARG A 10 22.914 8.362 1.779 1.00 0.00 C ATOM 143 NH1 ARG A 10 22.555 8.987 2.841 1.00 0.00 N ATOM 144 NH2 ARG A 10 23.639 8.911 0.873 1.00 0.00 N ATOM 0 H ARG A 10 17.345 3.793 0.342 1.00 0.00 H new ATOM 0 HA ARG A 10 20.217 3.343 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 10 19.001 5.147 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 10 20.352 4.163 2.276 1.00 0.00 H new ATOM 0 HG2 ARG A 10 21.808 5.069 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.459 5.861 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 10 20.503 7.653 1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.697 6.623 2.587 1.00 0.00 H new ATOM 0 HE ARG A 10 23.224 6.394 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.978 8.517 3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.846 9.954 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 10 23.904 8.382 0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.950 9.876 0.984 1.00 0.00 H new ATOM 158 N GLY A 11 18.179 2.070 1.898 1.00 0.00 N ATOM 159 CA GLY A 11 17.908 0.818 2.691 1.00 0.00 C ATOM 160 C GLY A 11 18.233 -0.444 1.881 1.00 0.00 C ATOM 161 O GLY A 11 18.807 -1.382 2.402 1.00 0.00 O ATOM 0 H GLY A 11 17.462 2.792 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.503 0.829 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.861 0.797 2.994 1.00 0.00 H new ATOM 165 N THR A 12 17.849 -0.435 0.622 1.00 0.00 N ATOM 166 CA THR A 12 18.119 -1.622 -0.258 1.00 0.00 C ATOM 167 C THR A 12 19.531 -2.134 -0.073 1.00 0.00 C ATOM 168 O THR A 12 19.756 -3.320 -0.117 1.00 0.00 O ATOM 169 CB THR A 12 17.933 -1.198 -1.722 1.00 0.00 C ATOM 170 OG1 THR A 12 17.876 -2.400 -2.458 1.00 0.00 O ATOM 171 CG2 THR A 12 19.174 -0.477 -2.260 1.00 0.00 C ATOM 0 H THR A 12 17.363 0.339 0.168 1.00 0.00 H new ATOM 0 HA THR A 12 17.426 -2.420 0.011 1.00 0.00 H new ATOM 0 HB THR A 12 17.059 -0.552 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.638 -2.444 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.007 -0.191 -3.299 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.363 0.416 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.036 -1.142 -2.201 1.00 0.00 H new ATOM 179 N MET A 13 20.456 -1.215 0.137 1.00 0.00 N ATOM 180 CA MET A 13 21.887 -1.601 0.335 1.00 0.00 C ATOM 181 C MET A 13 22.020 -3.061 0.705 1.00 0.00 C ATOM 182 O MET A 13 22.554 -3.862 -0.041 1.00 0.00 O ATOM 183 CB MET A 13 22.452 -0.746 1.488 1.00 0.00 C ATOM 184 CG MET A 13 23.201 0.458 0.911 1.00 0.00 C ATOM 185 SD MET A 13 24.811 0.143 0.144 1.00 0.00 S ATOM 186 CE MET A 13 25.347 1.869 0.005 1.00 0.00 C ATOM 0 H MET A 13 20.273 -0.212 0.179 1.00 0.00 H new ATOM 0 HA MET A 13 22.431 -1.435 -0.595 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.642 -0.408 2.135 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.123 -1.345 2.104 1.00 0.00 H new ATOM 0 HG2 MET A 13 22.559 0.930 0.167 1.00 0.00 H new ATOM 0 HG3 MET A 13 23.345 1.182 1.713 1.00 0.00 H new ATOM 0 HE1 MET A 13 26.336 1.907 -0.451 1.00 0.00 H new ATOM 0 HE2 MET A 13 24.640 2.421 -0.614 1.00 0.00 H new ATOM 0 HE3 MET A 13 25.388 2.318 0.997 1.00 0.00 H new ATOM 196 N SER A 14 21.510 -3.357 1.850 1.00 0.00 N ATOM 197 CA SER A 14 21.554 -4.751 2.369 1.00 0.00 C ATOM 198 C SER A 14 21.028 -4.801 3.794 1.00 0.00 C ATOM 199 O SER A 14 21.673 -5.327 4.689 1.00 0.00 O ATOM 200 CB SER A 14 23.009 -5.230 2.358 1.00 0.00 C ATOM 201 OG SER A 14 23.657 -4.438 3.356 1.00 0.00 O ATOM 0 H SER A 14 21.054 -2.685 2.467 1.00 0.00 H new ATOM 0 HA SER A 14 20.934 -5.390 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.078 -6.293 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.466 -5.086 1.379 1.00 0.00 H new ATOM 0 HG SER A 14 23.349 -4.715 4.244 1.00 0.00 H new ATOM 207 N LYS A 15 19.862 -4.262 3.982 1.00 0.00 N ATOM 208 CA LYS A 15 19.266 -4.259 5.336 1.00 0.00 C ATOM 209 C LYS A 15 17.811 -4.722 5.284 1.00 0.00 C ATOM 210 O LYS A 15 17.262 -4.925 4.225 1.00 0.00 O ATOM 211 CB LYS A 15 19.309 -2.806 5.849 1.00 0.00 C ATOM 212 CG LYS A 15 20.766 -2.419 6.151 1.00 0.00 C ATOM 213 CD LYS A 15 21.105 -2.866 7.572 1.00 0.00 C ATOM 214 CE LYS A 15 22.550 -3.342 7.644 1.00 0.00 C ATOM 215 NZ LYS A 15 22.788 -4.021 8.951 1.00 0.00 N ATOM 0 H LYS A 15 19.297 -3.823 3.255 1.00 0.00 H new ATOM 0 HA LYS A 15 19.819 -4.934 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.888 -2.132 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.700 -2.707 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.439 -2.891 5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.900 -1.342 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.952 -2.040 8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.434 -3.669 7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.759 -4.028 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.228 -2.496 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.367 -3.408 9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.877 -4.210 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.287 -4.919 8.790 1.00 0.00 H new ATOM 229 N THR A 16 17.217 -4.920 6.425 1.00 0.00 N ATOM 230 CA THR A 16 15.791 -5.368 6.414 1.00 0.00 C ATOM 231 C THR A 16 14.929 -4.454 7.296 1.00 0.00 C ATOM 232 O THR A 16 15.300 -4.137 8.425 1.00 0.00 O ATOM 233 CB THR A 16 15.681 -6.837 6.894 1.00 0.00 C ATOM 234 OG1 THR A 16 15.518 -6.786 8.297 1.00 0.00 O ATOM 235 CG2 THR A 16 16.999 -7.613 6.673 1.00 0.00 C ATOM 0 H THR A 16 17.640 -4.796 7.345 1.00 0.00 H new ATOM 0 HA THR A 16 15.422 -5.307 5.390 1.00 0.00 H new ATOM 0 HB THR A 16 14.869 -7.321 6.352 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.702 -5.877 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.880 -8.639 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 16 17.245 -7.618 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.803 -7.131 7.229 1.00 0.00 H new ATOM 243 N LYS A 17 13.797 -4.060 6.722 1.00 0.00 N ATOM 244 CA LYS A 17 12.785 -3.151 7.399 1.00 0.00 C ATOM 245 C LYS A 17 13.279 -2.551 8.715 1.00 0.00 C ATOM 246 O LYS A 17 12.664 -2.730 9.745 1.00 0.00 O ATOM 247 CB LYS A 17 11.484 -3.960 7.643 1.00 0.00 C ATOM 248 CG LYS A 17 10.330 -2.988 7.952 1.00 0.00 C ATOM 249 CD LYS A 17 9.146 -3.783 8.533 1.00 0.00 C ATOM 250 CE LYS A 17 7.932 -2.857 8.697 1.00 0.00 C ATOM 251 NZ LYS A 17 7.992 -2.153 10.014 1.00 0.00 N ATOM 0 H LYS A 17 13.525 -4.341 5.780 1.00 0.00 H new ATOM 0 HA LYS A 17 12.610 -2.306 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.245 -4.559 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.623 -4.653 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.658 -2.228 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.024 -2.466 7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.895 -4.614 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.421 -4.212 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.910 -2.127 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.012 -3.437 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.165 -1.530 10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.991 -2.854 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.862 -1.585 10.065 1.00 0.00 H new ATOM 265 N ASN A 18 14.369 -1.822 8.629 1.00 0.00 N ATOM 266 CA ASN A 18 14.970 -1.167 9.844 1.00 0.00 C ATOM 267 C ASN A 18 16.467 -0.981 9.666 1.00 0.00 C ATOM 268 O ASN A 18 16.963 0.116 9.502 1.00 0.00 O ATOM 269 CB ASN A 18 14.815 -2.073 11.062 1.00 0.00 C ATOM 270 CG ASN A 18 13.954 -1.385 12.123 1.00 0.00 C ATOM 271 OD1 ASN A 18 14.428 -1.001 13.166 1.00 0.00 O ATOM 272 ND2 ASN A 18 12.690 -1.216 11.898 1.00 0.00 N ATOM 0 H ASN A 18 14.875 -1.650 7.760 1.00 0.00 H new ATOM 0 HA ASN A 18 14.460 -0.213 9.977 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.357 -3.017 10.767 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.795 -2.310 11.476 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.104 -0.762 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.281 -1.537 11.020 1.00 0.00 H new ATOM 279 N GLY A 19 17.156 -2.086 9.726 1.00 0.00 N ATOM 280 CA GLY A 19 18.610 -2.056 9.573 1.00 0.00 C ATOM 281 C GLY A 19 19.229 -3.435 9.837 1.00 0.00 C ATOM 282 O GLY A 19 20.398 -3.534 10.162 1.00 0.00 O ATOM 0 H GLY A 19 16.756 -3.012 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.865 -1.728 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 19 19.035 -1.327 10.263 1.00 0.00 H new ATOM 286 N ILE A 20 18.450 -4.480 9.686 1.00 0.00 N ATOM 287 CA ILE A 20 19.016 -5.841 9.933 1.00 0.00 C ATOM 288 C ILE A 20 19.912 -6.255 8.776 1.00 0.00 C ATOM 289 O ILE A 20 19.460 -6.353 7.653 1.00 0.00 O ATOM 290 CB ILE A 20 17.870 -6.836 10.013 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.997 -6.565 11.224 1.00 0.00 C ATOM 292 CG2 ILE A 20 18.437 -8.269 10.127 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.905 -7.633 11.285 1.00 0.00 C ATOM 0 H ILE A 20 17.469 -4.451 9.409 1.00 0.00 H new ATOM 0 HA ILE A 20 19.592 -5.824 10.858 1.00 0.00 H new ATOM 0 HB ILE A 20 17.269 -6.732 9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.596 -6.584 12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.552 -5.572 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.615 -8.982 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 20 19.048 -8.489 9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 20 19.049 -8.348 11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.268 -7.453 12.151 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.304 -7.591 10.377 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.364 -8.618 11.371 1.00 0.00 H new ATOM 305 N THR A 21 21.169 -6.481 9.053 1.00 0.00 N ATOM 306 CA THR A 21 22.076 -6.885 7.976 1.00 0.00 C ATOM 307 C THR A 21 21.501 -8.058 7.213 1.00 0.00 C ATOM 308 O THR A 21 21.163 -9.075 7.797 1.00 0.00 O ATOM 309 CB THR A 21 23.413 -7.308 8.589 1.00 0.00 C ATOM 310 OG1 THR A 21 23.688 -6.353 9.593 1.00 0.00 O ATOM 311 CG2 THR A 21 24.542 -7.127 7.582 1.00 0.00 C ATOM 0 H THR A 21 21.592 -6.400 9.978 1.00 0.00 H new ATOM 0 HA THR A 21 22.212 -6.046 7.293 1.00 0.00 H new ATOM 0 HB THR A 21 23.353 -8.342 8.928 1.00 0.00 H new ATOM 0 HG1 THR A 21 24.602 -6.016 9.483 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.485 -7.432 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.346 -7.740 6.702 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.603 -6.079 7.288 1.00 0.00 H new ATOM 319 N CYS A 22 21.376 -7.894 5.927 1.00 0.00 N ATOM 320 CA CYS A 22 20.822 -8.995 5.105 1.00 0.00 C ATOM 321 C CYS A 22 21.800 -10.190 5.001 1.00 0.00 C ATOM 322 O CYS A 22 21.996 -10.905 5.969 1.00 0.00 O ATOM 323 CB CYS A 22 20.473 -8.435 3.712 1.00 0.00 C ATOM 324 SG CYS A 22 18.871 -7.586 3.543 1.00 0.00 S ATOM 0 H CYS A 22 21.632 -7.050 5.415 1.00 0.00 H new ATOM 0 HA CYS A 22 19.923 -9.381 5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 22 21.259 -7.738 3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.497 -9.259 2.999 1.00 0.00 H new ATOM 329 N GLN A 23 22.400 -10.392 3.847 1.00 0.00 N ATOM 330 CA GLN A 23 23.358 -11.555 3.715 1.00 0.00 C ATOM 331 C GLN A 23 24.210 -11.538 2.412 1.00 0.00 C ATOM 332 O GLN A 23 25.042 -10.682 2.229 1.00 0.00 O ATOM 333 CB GLN A 23 22.494 -12.799 3.696 1.00 0.00 C ATOM 334 CG GLN A 23 21.316 -12.565 2.723 1.00 0.00 C ATOM 335 CD GLN A 23 20.337 -13.738 2.833 1.00 0.00 C ATOM 336 OE1 GLN A 23 19.350 -13.796 2.143 1.00 0.00 O ATOM 337 NE2 GLN A 23 20.587 -14.703 3.680 1.00 0.00 N ATOM 0 H GLN A 23 22.277 -9.823 3.010 1.00 0.00 H new ATOM 0 HA GLN A 23 24.069 -11.510 4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 23 23.080 -13.662 3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 23 22.121 -13.016 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.811 -11.629 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.684 -12.476 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 23 21.420 -14.663 4.268 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.949 -15.496 3.753 1.00 0.00 H new ATOM 346 N LYS A 24 23.996 -12.536 1.549 1.00 0.00 N ATOM 347 CA LYS A 24 24.762 -12.612 0.265 1.00 0.00 C ATOM 348 C LYS A 24 24.066 -13.571 -0.709 1.00 0.00 C ATOM 349 O LYS A 24 24.660 -14.112 -1.618 1.00 0.00 O ATOM 350 CB LYS A 24 26.144 -13.158 0.568 1.00 0.00 C ATOM 351 CG LYS A 24 26.067 -14.096 1.769 1.00 0.00 C ATOM 352 CD LYS A 24 27.474 -14.651 2.059 1.00 0.00 C ATOM 353 CE LYS A 24 27.645 -14.860 3.569 1.00 0.00 C ATOM 354 NZ LYS A 24 29.092 -15.040 3.905 1.00 0.00 N ATOM 0 H LYS A 24 23.324 -13.289 1.693 1.00 0.00 H new ATOM 0 HA LYS A 24 24.819 -11.620 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.534 -13.691 -0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.833 -12.339 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.685 -13.563 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.374 -14.913 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.619 -15.594 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.232 -13.960 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.242 -14.004 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.078 -15.734 3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.195 -15.181 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.464 -15.871 3.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 29.623 -14.194 3.616 1.00 0.00 H new ATOM 368 N TRP A 25 22.817 -13.752 -0.460 1.00 0.00 N ATOM 369 CA TRP A 25 21.966 -14.660 -1.304 1.00 0.00 C ATOM 370 C TRP A 25 22.590 -16.044 -1.386 1.00 0.00 C ATOM 371 O TRP A 25 22.354 -16.792 -2.311 1.00 0.00 O ATOM 372 CB TRP A 25 21.822 -14.095 -2.744 1.00 0.00 C ATOM 373 CG TRP A 25 20.994 -12.786 -2.770 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.376 -11.705 -3.433 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.829 -12.574 -2.157 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.402 -10.811 -3.201 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.381 -11.276 -2.402 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.059 -13.416 -1.367 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.183 -10.836 -1.859 1.00 0.00 C ATOM 380 CZ3 TRP A 25 17.871 -12.974 -0.827 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.433 -11.684 -1.073 1.00 0.00 C ATOM 0 H TRP A 25 22.320 -13.305 0.310 1.00 0.00 H new ATOM 0 HA TRP A 25 20.983 -14.724 -0.837 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.811 -13.907 -3.161 1.00 0.00 H new ATOM 0 HB3 TRP A 25 21.344 -14.840 -3.380 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.269 -11.573 -4.026 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.417 -9.866 -3.584 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.393 -14.425 -1.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 17.839 -9.831 -2.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.280 -13.635 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 25 16.501 -11.341 -0.648 1.00 0.00 H new ATOM 392 N SER A 26 23.368 -16.353 -0.400 1.00 0.00 N ATOM 393 CA SER A 26 24.042 -17.674 -0.357 1.00 0.00 C ATOM 394 C SER A 26 23.041 -18.781 -0.014 1.00 0.00 C ATOM 395 O SER A 26 23.388 -19.765 0.606 1.00 0.00 O ATOM 396 CB SER A 26 25.112 -17.593 0.740 1.00 0.00 C ATOM 397 OG SER A 26 26.343 -17.528 0.034 1.00 0.00 O ATOM 0 H SER A 26 23.571 -15.741 0.390 1.00 0.00 H new ATOM 0 HA SER A 26 24.480 -17.909 -1.327 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.969 -16.715 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 26 25.076 -18.464 1.395 1.00 0.00 H new ATOM 0 HG SER A 26 27.087 -17.633 0.663 1.00 0.00 H new ATOM 403 N SER A 27 21.820 -18.580 -0.445 1.00 0.00 N ATOM 404 CA SER A 27 20.736 -19.566 -0.189 1.00 0.00 C ATOM 405 C SER A 27 20.826 -20.207 1.178 1.00 0.00 C ATOM 406 O SER A 27 21.468 -19.695 2.086 1.00 0.00 O ATOM 407 CB SER A 27 20.807 -20.652 -1.269 1.00 0.00 C ATOM 408 OG SER A 27 19.511 -21.240 -1.252 1.00 0.00 O ATOM 0 H SER A 27 21.528 -17.757 -0.973 1.00 0.00 H new ATOM 0 HA SER A 27 19.786 -19.032 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 27 21.040 -20.229 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 27 21.581 -21.386 -1.046 1.00 0.00 H new ATOM 0 HG SER A 27 19.467 -21.953 -1.923 1.00 0.00 H new ATOM 414 N THR A 28 20.174 -21.318 1.305 1.00 0.00 N ATOM 415 CA THR A 28 20.193 -22.019 2.591 1.00 0.00 C ATOM 416 C THR A 28 21.585 -22.258 3.102 1.00 0.00 C ATOM 417 O THR A 28 22.300 -23.095 2.592 1.00 0.00 O ATOM 418 CB THR A 28 19.503 -23.359 2.455 1.00 0.00 C ATOM 419 OG1 THR A 28 18.128 -23.060 2.383 1.00 0.00 O ATOM 420 CG2 THR A 28 19.658 -24.152 3.753 1.00 0.00 C ATOM 0 H THR A 28 19.630 -21.767 0.568 1.00 0.00 H new ATOM 0 HA THR A 28 19.674 -21.377 3.303 1.00 0.00 H new ATOM 0 HB THR A 28 19.903 -23.913 1.606 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.010 -22.137 2.076 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.160 -25.116 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.717 -24.310 3.959 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.208 -23.596 4.575 1.00 0.00 H new ATOM 428 N SER A 29 21.935 -21.522 4.114 1.00 0.00 N ATOM 429 CA SER A 29 23.280 -21.667 4.705 1.00 0.00 C ATOM 430 C SER A 29 23.592 -20.488 5.630 1.00 0.00 C ATOM 431 O SER A 29 24.147 -19.488 5.204 1.00 0.00 O ATOM 432 CB SER A 29 24.314 -21.702 3.565 1.00 0.00 C ATOM 433 OG SER A 29 25.571 -21.582 4.221 1.00 0.00 O ATOM 0 H SER A 29 21.340 -20.822 4.557 1.00 0.00 H new ATOM 0 HA SER A 29 23.319 -22.587 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.249 -22.631 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.155 -20.886 2.860 1.00 0.00 H new ATOM 0 HG SER A 29 26.290 -21.598 3.555 1.00 0.00 H new ATOM 439 N PRO A 30 23.196 -20.617 6.893 1.00 0.00 N ATOM 440 CA PRO A 30 22.460 -21.796 7.417 1.00 0.00 C ATOM 441 C PRO A 30 20.950 -21.715 7.106 1.00 0.00 C ATOM 442 O PRO A 30 20.180 -22.547 7.534 1.00 0.00 O ATOM 443 CB PRO A 30 22.650 -21.700 8.947 1.00 0.00 C ATOM 444 CG PRO A 30 23.235 -20.286 9.254 1.00 0.00 C ATOM 445 CD PRO A 30 23.521 -19.604 7.904 1.00 0.00 C ATOM 0 HA PRO A 30 22.826 -22.721 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.700 -21.843 9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 30 23.325 -22.480 9.300 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.529 -19.697 9.840 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.148 -20.368 9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 30 22.912 -18.709 7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 30 24.563 -19.293 7.831 1.00 0.00 H new ATOM 453 N HIS A 31 20.571 -20.712 6.361 1.00 0.00 N ATOM 454 CA HIS A 31 19.139 -20.536 6.003 1.00 0.00 C ATOM 455 C HIS A 31 19.085 -19.611 4.784 1.00 0.00 C ATOM 456 O HIS A 31 20.140 -19.155 4.385 1.00 0.00 O ATOM 457 CB HIS A 31 18.475 -19.860 7.220 1.00 0.00 C ATOM 458 CG HIS A 31 17.273 -19.038 6.786 1.00 0.00 C ATOM 459 ND1 HIS A 31 16.085 -19.327 7.036 1.00 0.00 N ATOM 460 CD2 HIS A 31 17.226 -17.858 6.073 1.00 0.00 C ATOM 461 CE1 HIS A 31 15.294 -18.456 6.561 1.00 0.00 C ATOM 462 NE2 HIS A 31 15.938 -17.481 5.928 1.00 0.00 N ATOM 0 H HIS A 31 21.199 -20.003 5.983 1.00 0.00 H new ATOM 0 HA HIS A 31 18.635 -21.473 5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 31 18.164 -20.618 7.939 1.00 0.00 H new ATOM 0 HB3 HIS A 31 19.197 -19.219 7.726 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.082 -17.322 5.692 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.220 -18.502 6.660 1.00 0.00 H new ATOM 0 HE2 HIS A 31 15.558 -16.661 5.455 1.00 0.00 H new ATOM 470 N ARG A 32 17.876 -19.369 4.199 1.00 0.00 N ATOM 471 CA ARG A 32 17.762 -18.445 2.976 1.00 0.00 C ATOM 472 C ARG A 32 17.409 -19.200 1.670 1.00 0.00 C ATOM 473 O ARG A 32 17.945 -20.254 1.388 1.00 0.00 O ATOM 474 CB ARG A 32 19.119 -17.791 2.805 1.00 0.00 C ATOM 475 CG ARG A 32 19.156 -16.718 1.741 1.00 0.00 C ATOM 476 CD ARG A 32 20.646 -16.479 1.414 1.00 0.00 C ATOM 477 NE ARG A 32 21.516 -17.182 2.470 1.00 0.00 N ATOM 478 CZ ARG A 32 22.736 -16.826 2.656 1.00 0.00 C ATOM 479 NH1 ARG A 32 23.070 -15.610 2.453 1.00 0.00 N ATOM 480 NH2 ARG A 32 23.575 -17.713 3.052 1.00 0.00 N ATOM 0 H ARG A 32 16.993 -19.768 4.517 1.00 0.00 H new ATOM 0 HA ARG A 32 16.957 -17.731 3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 32 19.423 -17.355 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 32 19.852 -18.559 2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.609 -17.033 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.685 -15.802 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 32 20.878 -16.862 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.861 -15.410 1.402 1.00 0.00 H new ATOM 0 HE ARG A 32 21.120 -17.938 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 32 22.371 -14.933 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 32 24.036 -15.315 2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 32 23.266 -18.672 3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.550 -17.459 3.208 1.00 0.00 H new ATOM 494 N PRO A 33 16.478 -18.634 0.905 1.00 0.00 N ATOM 495 CA PRO A 33 16.040 -19.232 -0.368 1.00 0.00 C ATOM 496 C PRO A 33 17.041 -18.934 -1.508 1.00 0.00 C ATOM 497 O PRO A 33 18.061 -18.314 -1.298 1.00 0.00 O ATOM 498 CB PRO A 33 14.703 -18.521 -0.676 1.00 0.00 C ATOM 499 CG PRO A 33 14.619 -17.280 0.262 1.00 0.00 C ATOM 500 CD PRO A 33 15.760 -17.407 1.285 1.00 0.00 C ATOM 0 HA PRO A 33 15.959 -20.316 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.660 -18.217 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.861 -19.192 -0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.716 -16.357 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.653 -17.243 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 33 16.418 -16.539 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.373 -17.475 2.302 1.00 0.00 H new ATOM 508 N ARG A 34 16.708 -19.382 -2.699 1.00 0.00 N ATOM 509 CA ARG A 34 17.611 -19.145 -3.873 1.00 0.00 C ATOM 510 C ARG A 34 16.807 -18.631 -5.080 1.00 0.00 C ATOM 511 O ARG A 34 16.993 -19.071 -6.200 1.00 0.00 O ATOM 512 CB ARG A 34 18.303 -20.481 -4.255 1.00 0.00 C ATOM 513 CG ARG A 34 17.425 -21.677 -3.837 1.00 0.00 C ATOM 514 CD ARG A 34 16.191 -21.753 -4.746 1.00 0.00 C ATOM 515 NE ARG A 34 15.199 -22.680 -4.125 1.00 0.00 N ATOM 516 CZ ARG A 34 13.949 -22.370 -4.118 1.00 0.00 C ATOM 517 NH1 ARG A 34 13.246 -22.603 -5.168 1.00 0.00 N ATOM 518 NH2 ARG A 34 13.449 -21.843 -3.059 1.00 0.00 N ATOM 0 H ARG A 34 15.854 -19.899 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 34 18.354 -18.395 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.483 -20.511 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.276 -20.547 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.997 -22.602 -3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.117 -21.569 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 34 15.754 -20.763 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.472 -22.109 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 34 15.511 -23.557 -3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.680 -23.027 -5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.254 -22.364 -5.181 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.040 -21.677 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.461 -21.590 -3.033 1.00 0.00 H new ATOM 532 N PHE A 35 15.929 -17.707 -4.818 1.00 0.00 N ATOM 533 CA PHE A 35 15.094 -17.137 -5.912 1.00 0.00 C ATOM 534 C PHE A 35 15.718 -15.850 -6.453 1.00 0.00 C ATOM 535 O PHE A 35 15.621 -14.803 -5.870 1.00 0.00 O ATOM 536 CB PHE A 35 13.656 -16.917 -5.328 1.00 0.00 C ATOM 537 CG PHE A 35 13.289 -15.439 -5.178 1.00 0.00 C ATOM 538 CD1 PHE A 35 13.145 -14.618 -6.285 1.00 0.00 C ATOM 539 CD2 PHE A 35 13.071 -14.908 -3.920 1.00 0.00 C ATOM 540 CE1 PHE A 35 12.792 -13.298 -6.125 1.00 0.00 C ATOM 541 CE2 PHE A 35 12.718 -13.592 -3.769 1.00 0.00 C ATOM 542 CZ PHE A 35 12.581 -12.786 -4.866 1.00 0.00 C ATOM 0 H PHE A 35 15.752 -17.320 -3.891 1.00 0.00 H new ATOM 0 HA PHE A 35 15.036 -17.815 -6.764 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.928 -17.402 -5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.587 -17.403 -4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.310 -15.015 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.180 -15.536 -3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.680 -12.662 -6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.548 -13.190 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.307 -11.748 -4.743 1.00 0.00 H new ATOM 552 N SER A 36 16.409 -15.990 -7.557 1.00 0.00 N ATOM 553 CA SER A 36 17.058 -14.808 -8.175 1.00 0.00 C ATOM 554 C SER A 36 16.941 -14.783 -9.732 1.00 0.00 C ATOM 555 O SER A 36 17.731 -14.131 -10.389 1.00 0.00 O ATOM 556 CB SER A 36 18.548 -14.837 -7.789 1.00 0.00 C ATOM 557 OG SER A 36 19.089 -13.656 -8.364 1.00 0.00 O ATOM 0 H SER A 36 16.548 -16.872 -8.051 1.00 0.00 H new ATOM 0 HA SER A 36 16.550 -13.916 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 36 18.677 -14.846 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 36 19.041 -15.729 -8.177 1.00 0.00 H new ATOM 0 HG SER A 36 18.892 -13.639 -9.324 1.00 0.00 H new ATOM 563 N PRO A 37 15.971 -15.504 -10.312 1.00 0.00 N ATOM 564 CA PRO A 37 15.820 -15.510 -11.771 1.00 0.00 C ATOM 565 C PRO A 37 15.318 -14.150 -12.277 1.00 0.00 C ATOM 566 O PRO A 37 15.056 -13.255 -11.501 1.00 0.00 O ATOM 567 CB PRO A 37 14.752 -16.586 -12.054 1.00 0.00 C ATOM 568 CG PRO A 37 14.150 -17.008 -10.686 1.00 0.00 C ATOM 569 CD PRO A 37 15.004 -16.354 -9.590 1.00 0.00 C ATOM 0 HA PRO A 37 16.769 -15.709 -12.270 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.976 -16.194 -12.711 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.195 -17.444 -12.560 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.112 -16.686 -10.607 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.156 -18.093 -10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.389 -15.763 -8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.513 -17.105 -8.986 1.00 0.00 H new ATOM 577 N ALA A 38 15.192 -14.030 -13.568 1.00 0.00 N ATOM 578 CA ALA A 38 14.710 -12.742 -14.152 1.00 0.00 C ATOM 579 C ALA A 38 13.251 -12.859 -14.609 1.00 0.00 C ATOM 580 O ALA A 38 12.679 -11.924 -15.131 1.00 0.00 O ATOM 581 CB ALA A 38 15.580 -12.435 -15.371 1.00 0.00 C ATOM 0 H ALA A 38 15.400 -14.764 -14.245 1.00 0.00 H new ATOM 0 HA ALA A 38 14.774 -11.955 -13.400 1.00 0.00 H new ATOM 0 HB1 ALA A 38 15.255 -11.498 -15.824 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.621 -12.346 -15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 38 15.485 -13.241 -16.098 1.00 0.00 H new ATOM 587 N THR A 39 12.689 -14.014 -14.400 1.00 0.00 N ATOM 588 CA THR A 39 11.270 -14.247 -14.804 1.00 0.00 C ATOM 589 C THR A 39 10.296 -13.321 -14.070 1.00 0.00 C ATOM 590 O THR A 39 9.177 -13.137 -14.509 1.00 0.00 O ATOM 591 CB THR A 39 10.907 -15.706 -14.478 1.00 0.00 C ATOM 592 OG1 THR A 39 9.566 -15.870 -14.902 1.00 0.00 O ATOM 593 CG2 THR A 39 10.858 -15.937 -12.962 1.00 0.00 C ATOM 0 H THR A 39 13.151 -14.813 -13.965 1.00 0.00 H new ATOM 0 HA THR A 39 11.184 -14.039 -15.870 1.00 0.00 H new ATOM 0 HB THR A 39 11.633 -16.372 -14.944 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.153 -14.990 -15.028 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.599 -16.976 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.833 -15.715 -12.528 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.107 -15.284 -12.518 1.00 0.00 H new ATOM 601 N HIS A 40 10.726 -12.768 -12.959 1.00 0.00 N ATOM 602 CA HIS A 40 9.820 -11.856 -12.202 1.00 0.00 C ATOM 603 C HIS A 40 9.863 -10.429 -12.811 1.00 0.00 C ATOM 604 O HIS A 40 10.545 -10.200 -13.789 1.00 0.00 O ATOM 605 CB HIS A 40 10.256 -11.835 -10.726 1.00 0.00 C ATOM 606 CG HIS A 40 10.990 -13.093 -10.393 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.468 -14.183 -10.084 1.00 0.00 N ATOM 608 CD2 HIS A 40 12.308 -13.287 -10.350 1.00 0.00 C ATOM 609 CE1 HIS A 40 11.354 -15.057 -9.847 1.00 0.00 C ATOM 610 NE2 HIS A 40 12.577 -14.566 -9.994 1.00 0.00 N ATOM 0 H HIS A 40 11.651 -12.908 -12.552 1.00 0.00 H new ATOM 0 HA HIS A 40 8.793 -12.216 -12.268 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.894 -10.971 -10.539 1.00 0.00 H new ATOM 0 HB3 HIS A 40 9.383 -11.732 -10.082 1.00 0.00 H new ATOM 0 HD1 HIS A 40 9.463 -14.348 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 40 13.052 -12.535 -10.567 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.140 -16.076 -9.561 1.00 0.00 H new ATOM 618 N PRO A 41 9.126 -9.494 -12.213 1.00 0.00 N ATOM 619 CA PRO A 41 9.084 -8.108 -12.698 1.00 0.00 C ATOM 620 C PRO A 41 10.464 -7.551 -13.036 1.00 0.00 C ATOM 621 O PRO A 41 10.702 -7.092 -14.143 1.00 0.00 O ATOM 622 CB PRO A 41 8.484 -7.326 -11.521 1.00 0.00 C ATOM 623 CG PRO A 41 7.791 -8.361 -10.597 1.00 0.00 C ATOM 624 CD PRO A 41 8.306 -9.740 -11.015 1.00 0.00 C ATOM 0 HA PRO A 41 8.511 -8.035 -13.623 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.261 -6.786 -10.981 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.768 -6.585 -11.875 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.023 -8.162 -9.551 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.707 -8.306 -10.699 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.895 -10.199 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.482 -10.419 -11.233 1.00 0.00 H new ATOM 632 N SER A 42 11.347 -7.588 -12.080 1.00 0.00 N ATOM 633 CA SER A 42 12.717 -7.062 -12.329 1.00 0.00 C ATOM 634 C SER A 42 13.747 -7.776 -11.458 1.00 0.00 C ATOM 635 O SER A 42 13.432 -8.722 -10.760 1.00 0.00 O ATOM 636 CB SER A 42 12.735 -5.557 -11.984 1.00 0.00 C ATOM 637 OG SER A 42 11.593 -5.023 -12.649 1.00 0.00 O ATOM 0 H SER A 42 11.182 -7.957 -11.143 1.00 0.00 H new ATOM 0 HA SER A 42 12.972 -7.229 -13.376 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.678 -5.396 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.653 -5.082 -12.329 1.00 0.00 H new ATOM 0 HG SER A 42 11.534 -4.060 -12.475 1.00 0.00 H new ATOM 643 N GLU A 43 14.958 -7.295 -11.513 1.00 0.00 N ATOM 644 CA GLU A 43 16.044 -7.911 -10.705 1.00 0.00 C ATOM 645 C GLU A 43 16.292 -7.130 -9.424 1.00 0.00 C ATOM 646 O GLU A 43 15.394 -6.518 -8.874 1.00 0.00 O ATOM 647 CB GLU A 43 17.330 -7.912 -11.564 1.00 0.00 C ATOM 648 CG GLU A 43 17.919 -6.485 -11.640 1.00 0.00 C ATOM 649 CD GLU A 43 17.494 -5.825 -12.947 1.00 0.00 C ATOM 650 OE1 GLU A 43 16.346 -5.412 -12.996 1.00 0.00 O ATOM 651 OE2 GLU A 43 18.338 -5.769 -13.818 1.00 0.00 O ATOM 0 H GLU A 43 15.242 -6.499 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 43 15.755 -8.924 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.063 -8.594 -11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.106 -8.275 -12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.574 -5.893 -10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.006 -6.526 -11.578 1.00 0.00 H new ATOM 658 N GLY A 44 17.508 -7.176 -8.974 1.00 0.00 N ATOM 659 CA GLY A 44 17.875 -6.451 -7.724 1.00 0.00 C ATOM 660 C GLY A 44 18.419 -7.430 -6.699 1.00 0.00 C ATOM 661 O GLY A 44 19.093 -7.047 -5.782 1.00 0.00 O ATOM 0 H GLY A 44 18.272 -7.686 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.622 -5.687 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.002 -5.937 -7.321 1.00 0.00 H new ATOM 665 N LEU A 45 18.096 -8.686 -6.885 1.00 0.00 N ATOM 666 CA LEU A 45 18.567 -9.734 -5.952 1.00 0.00 C ATOM 667 C LEU A 45 20.079 -9.914 -6.011 1.00 0.00 C ATOM 668 O LEU A 45 20.575 -10.932 -6.451 1.00 0.00 O ATOM 669 CB LEU A 45 17.895 -11.049 -6.364 1.00 0.00 C ATOM 670 CG LEU A 45 16.473 -11.137 -5.790 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.407 -12.393 -4.943 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.139 -9.919 -4.909 1.00 0.00 C ATOM 0 H LEU A 45 17.519 -9.025 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 45 18.311 -9.443 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.858 -11.119 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.488 -11.892 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 45 15.754 -11.159 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.409 -12.492 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.624 -13.262 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.141 -12.329 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.125 -10.017 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.842 -9.868 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.213 -9.009 -5.504 1.00 0.00 H new ATOM 684 N GLU A 46 20.778 -8.926 -5.559 1.00 0.00 N ATOM 685 CA GLU A 46 22.237 -8.999 -5.568 1.00 0.00 C ATOM 686 C GLU A 46 22.760 -9.259 -4.166 1.00 0.00 C ATOM 687 O GLU A 46 22.157 -8.833 -3.202 1.00 0.00 O ATOM 688 CB GLU A 46 22.770 -7.641 -6.062 1.00 0.00 C ATOM 689 CG GLU A 46 23.787 -7.080 -5.047 1.00 0.00 C ATOM 690 CD GLU A 46 24.614 -5.993 -5.707 1.00 0.00 C ATOM 691 OE1 GLU A 46 25.159 -6.285 -6.763 1.00 0.00 O ATOM 692 OE2 GLU A 46 24.656 -4.931 -5.121 1.00 0.00 O ATOM 0 H GLU A 46 20.389 -8.063 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 46 22.566 -9.810 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.242 -7.758 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.945 -6.940 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.266 -6.678 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.436 -7.878 -4.688 1.00 0.00 H new ATOM 699 N GLU A 47 23.867 -9.963 -4.085 1.00 0.00 N ATOM 700 CA GLU A 47 24.473 -10.277 -2.754 1.00 0.00 C ATOM 701 C GLU A 47 23.422 -10.350 -1.644 1.00 0.00 C ATOM 702 O GLU A 47 22.884 -11.383 -1.337 1.00 0.00 O ATOM 703 CB GLU A 47 25.461 -9.129 -2.425 1.00 0.00 C ATOM 704 CG GLU A 47 26.834 -9.435 -3.059 1.00 0.00 C ATOM 705 CD GLU A 47 27.610 -10.412 -2.167 1.00 0.00 C ATOM 706 OE1 GLU A 47 26.987 -11.370 -1.744 1.00 0.00 O ATOM 707 OE2 GLU A 47 28.783 -10.147 -1.958 1.00 0.00 O ATOM 0 H GLU A 47 24.376 -10.333 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 47 24.963 -11.250 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.076 -8.183 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.563 -9.021 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.699 -9.863 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.401 -8.513 -3.184 1.00 0.00 H new ATOM 714 N ASN A 48 23.176 -9.241 -1.083 1.00 0.00 N ATOM 715 CA ASN A 48 22.178 -9.140 0.016 1.00 0.00 C ATOM 716 C ASN A 48 21.300 -7.966 -0.283 1.00 0.00 C ATOM 717 O ASN A 48 21.293 -6.992 0.440 1.00 0.00 O ATOM 718 CB ASN A 48 22.932 -8.854 1.312 1.00 0.00 C ATOM 719 CG ASN A 48 24.123 -7.908 1.042 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.083 -7.095 0.026 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 25.090 -7.894 1.767 1.00 0.00 N flip ATOM 0 H ASN A 48 23.626 -8.360 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 48 21.593 -10.055 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.258 -8.403 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.291 -9.787 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 48 25.137 -8.525 2.567 1.00 0.00 H new ATOM 0 HD22 ASN A 48 25.859 -7.251 1.579 1.00 0.00 H new ATOM 728 N TYR A 49 20.572 -8.067 -1.333 1.00 0.00 N ATOM 729 CA TYR A 49 19.704 -6.962 -1.690 1.00 0.00 C ATOM 730 C TYR A 49 18.264 -7.075 -1.309 1.00 0.00 C ATOM 731 O TYR A 49 17.790 -8.071 -0.815 1.00 0.00 O ATOM 732 CB TYR A 49 19.719 -6.863 -3.192 1.00 0.00 C ATOM 733 CG TYR A 49 19.997 -5.436 -3.529 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.146 -4.852 -3.072 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.095 -4.698 -4.245 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.396 -3.525 -3.330 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.337 -3.374 -4.505 1.00 0.00 C ATOM 738 CZ TYR A 49 20.487 -2.775 -4.050 1.00 0.00 C ATOM 739 OH TYR A 49 20.721 -1.443 -4.311 1.00 0.00 O ATOM 0 H TYR A 49 20.544 -8.873 -1.958 1.00 0.00 H new ATOM 0 HA TYR A 49 20.097 -6.107 -1.140 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.483 -7.516 -3.614 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.763 -7.179 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.859 -5.435 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.189 -5.160 -4.607 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.305 -3.068 -2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.620 -2.798 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 49 20.113 -1.136 -5.016 1.00 0.00 H new ATOM 749 N CYS A 50 17.594 -5.994 -1.584 1.00 0.00 N ATOM 750 CA CYS A 50 16.177 -5.910 -1.294 1.00 0.00 C ATOM 751 C CYS A 50 15.473 -5.259 -2.446 1.00 0.00 C ATOM 752 O CYS A 50 15.806 -4.156 -2.850 1.00 0.00 O ATOM 753 CB CYS A 50 15.959 -5.047 -0.077 1.00 0.00 C ATOM 754 SG CYS A 50 16.929 -5.406 1.400 1.00 0.00 S ATOM 0 H CYS A 50 17.996 -5.157 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 50 15.792 -6.915 -1.123 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.154 -4.013 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.905 -5.110 0.192 1.00 0.00 H new ATOM 759 N ARG A 51 14.523 -5.939 -2.952 1.00 0.00 N ATOM 760 CA ARG A 51 13.762 -5.376 -4.102 1.00 0.00 C ATOM 761 C ARG A 51 12.366 -5.971 -4.130 1.00 0.00 C ATOM 762 O ARG A 51 11.848 -6.349 -3.100 1.00 0.00 O ATOM 763 CB ARG A 51 14.533 -5.718 -5.404 1.00 0.00 C ATOM 764 CG ARG A 51 14.398 -4.557 -6.407 1.00 0.00 C ATOM 765 CD ARG A 51 15.198 -3.347 -5.902 1.00 0.00 C ATOM 766 NE ARG A 51 14.721 -2.114 -6.610 1.00 0.00 N ATOM 767 CZ ARG A 51 15.062 -1.909 -7.835 1.00 0.00 C ATOM 768 NH1 ARG A 51 16.212 -1.407 -8.076 1.00 0.00 N ATOM 769 NH2 ARG A 51 14.234 -2.206 -8.769 1.00 0.00 N ATOM 0 H ARG A 51 14.225 -6.861 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 51 13.666 -4.294 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.584 -5.897 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.140 -6.636 -5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.764 -4.865 -7.387 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.349 -4.288 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.071 -3.235 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.262 -3.497 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 51 14.129 -1.441 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.840 -1.177 -7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.502 -1.236 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.322 -2.598 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.488 -2.050 -9.744 1.00 0.00 H new ATOM 783 N ASN A 52 11.763 -6.045 -5.285 1.00 0.00 N ATOM 784 CA ASN A 52 10.400 -6.624 -5.326 1.00 0.00 C ATOM 785 C ASN A 52 10.175 -7.567 -6.528 1.00 0.00 C ATOM 786 O ASN A 52 9.172 -7.466 -7.210 1.00 0.00 O ATOM 787 CB ASN A 52 9.381 -5.477 -5.436 1.00 0.00 C ATOM 788 CG ASN A 52 8.323 -5.633 -4.340 1.00 0.00 C ATOM 789 OD1 ASN A 52 8.424 -6.482 -3.485 1.00 0.00 O ATOM 790 ND2 ASN A 52 7.303 -4.835 -4.331 1.00 0.00 N ATOM 0 H ASN A 52 12.147 -5.737 -6.179 1.00 0.00 H new ATOM 0 HA ASN A 52 10.276 -7.207 -4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.886 -4.516 -5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.908 -5.488 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.591 -4.925 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.211 -4.116 -5.049 1.00 0.00 H new ATOM 797 N PRO A 53 11.097 -8.478 -6.772 1.00 0.00 N ATOM 798 CA PRO A 53 10.947 -9.394 -7.881 1.00 0.00 C ATOM 799 C PRO A 53 9.871 -10.396 -7.505 1.00 0.00 C ATOM 800 O PRO A 53 9.076 -10.803 -8.308 1.00 0.00 O ATOM 801 CB PRO A 53 12.323 -10.081 -8.019 1.00 0.00 C ATOM 802 CG PRO A 53 13.221 -9.510 -6.883 1.00 0.00 C ATOM 803 CD PRO A 53 12.296 -8.683 -5.973 1.00 0.00 C ATOM 0 HA PRO A 53 10.658 -8.917 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.227 -11.163 -7.930 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.760 -9.880 -8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.698 -10.315 -6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.018 -8.890 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.072 -9.212 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.756 -7.735 -5.695 1.00 0.00 H new ATOM 811 N ASP A 54 9.867 -10.750 -6.259 1.00 0.00 N ATOM 812 CA ASP A 54 8.861 -11.722 -5.771 1.00 0.00 C ATOM 813 C ASP A 54 7.467 -11.077 -5.837 1.00 0.00 C ATOM 814 O ASP A 54 6.457 -11.754 -5.881 1.00 0.00 O ATOM 815 CB ASP A 54 9.230 -12.082 -4.311 1.00 0.00 C ATOM 816 CG ASP A 54 8.266 -11.415 -3.337 1.00 0.00 C ATOM 817 OD1 ASP A 54 8.402 -10.210 -3.191 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.456 -12.149 -2.794 1.00 0.00 O ATOM 0 H ASP A 54 10.519 -10.407 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 54 8.850 -12.625 -6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.200 -13.163 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.250 -11.763 -4.098 1.00 0.00 H new ATOM 823 N ASN A 55 7.476 -9.759 -5.846 1.00 0.00 N ATOM 824 CA ASN A 55 6.207 -8.968 -5.908 1.00 0.00 C ATOM 825 C ASN A 55 5.551 -8.793 -4.534 1.00 0.00 C ATOM 826 O ASN A 55 4.493 -9.336 -4.264 1.00 0.00 O ATOM 827 CB ASN A 55 5.217 -9.663 -6.862 1.00 0.00 C ATOM 828 CG ASN A 55 4.259 -8.618 -7.435 1.00 0.00 C ATOM 829 OD1 ASN A 55 4.097 -7.543 -6.897 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.608 -8.888 -8.519 1.00 0.00 N ATOM 0 H ASN A 55 8.325 -9.194 -5.812 1.00 0.00 H new ATOM 0 HA ASN A 55 6.463 -7.974 -6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.757 -10.160 -7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.659 -10.433 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.966 -8.200 -8.913 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.736 -9.789 -8.980 1.00 0.00 H new ATOM 837 N ASP A 56 6.202 -8.033 -3.698 1.00 0.00 N ATOM 838 CA ASP A 56 5.659 -7.784 -2.331 1.00 0.00 C ATOM 839 C ASP A 56 5.200 -6.314 -2.242 1.00 0.00 C ATOM 840 O ASP A 56 5.984 -5.422 -1.981 1.00 0.00 O ATOM 841 CB ASP A 56 6.781 -8.039 -1.288 1.00 0.00 C ATOM 842 CG ASP A 56 6.181 -8.058 0.122 1.00 0.00 C ATOM 843 OD1 ASP A 56 5.447 -7.128 0.408 1.00 0.00 O ATOM 844 OD2 ASP A 56 6.491 -9.001 0.841 1.00 0.00 O ATOM 0 H ASP A 56 7.089 -7.572 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 56 4.817 -8.447 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.275 -8.988 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.541 -7.261 -1.360 1.00 0.00 H new ATOM 849 N PRO A 57 3.919 -6.090 -2.481 1.00 0.00 N ATOM 850 CA PRO A 57 3.346 -4.735 -2.433 1.00 0.00 C ATOM 851 C PRO A 57 3.528 -4.062 -1.066 1.00 0.00 C ATOM 852 O PRO A 57 3.172 -2.907 -0.896 1.00 0.00 O ATOM 853 CB PRO A 57 1.839 -4.938 -2.723 1.00 0.00 C ATOM 854 CG PRO A 57 1.616 -6.456 -2.999 1.00 0.00 C ATOM 855 CD PRO A 57 2.968 -7.163 -2.812 1.00 0.00 C ATOM 0 HA PRO A 57 3.843 -4.081 -3.149 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.238 -4.610 -1.875 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.530 -4.343 -3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.872 -6.865 -2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.239 -6.611 -4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.918 -7.905 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.267 -7.689 -3.719 1.00 0.00 H new ATOM 863 N GLN A 58 4.082 -4.785 -0.124 1.00 0.00 N ATOM 864 CA GLN A 58 4.289 -4.204 1.220 1.00 0.00 C ATOM 865 C GLN A 58 5.701 -3.615 1.380 1.00 0.00 C ATOM 866 O GLN A 58 5.893 -2.681 2.136 1.00 0.00 O ATOM 867 CB GLN A 58 4.047 -5.317 2.274 1.00 0.00 C ATOM 868 CG GLN A 58 5.359 -5.676 2.996 1.00 0.00 C ATOM 869 CD GLN A 58 5.159 -6.968 3.782 1.00 0.00 C ATOM 870 OE1 GLN A 58 5.032 -8.086 3.138 1.00 0.00 O flip ATOM 871 NE2 GLN A 58 5.119 -6.969 4.991 1.00 0.00 N flip ATOM 0 H GLN A 58 4.396 -5.749 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 58 3.587 -3.383 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.306 -4.983 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.639 -6.203 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.165 -5.797 2.273 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.652 -4.869 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.218 -6.094 5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.986 -7.845 5.496 1.00 0.00 H new ATOM 880 N GLY A 59 6.669 -4.165 0.677 1.00 0.00 N ATOM 881 CA GLY A 59 8.061 -3.609 0.813 1.00 0.00 C ATOM 882 C GLY A 59 9.119 -4.491 0.120 1.00 0.00 C ATOM 883 O GLY A 59 8.894 -5.643 -0.179 1.00 0.00 O ATOM 0 H GLY A 59 6.563 -4.950 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.092 -2.607 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.309 -3.513 1.870 1.00 0.00 H new ATOM 887 N PRO A 60 10.272 -3.891 -0.127 1.00 0.00 N ATOM 888 CA PRO A 60 11.392 -4.583 -0.780 1.00 0.00 C ATOM 889 C PRO A 60 11.991 -5.622 0.177 1.00 0.00 C ATOM 890 O PRO A 60 12.831 -5.305 1.008 1.00 0.00 O ATOM 891 CB PRO A 60 12.424 -3.471 -1.063 1.00 0.00 C ATOM 892 CG PRO A 60 11.921 -2.187 -0.334 1.00 0.00 C ATOM 893 CD PRO A 60 10.518 -2.485 0.208 1.00 0.00 C ATOM 0 HA PRO A 60 11.088 -5.109 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.411 -3.759 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.517 -3.295 -2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.596 -1.918 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.895 -1.341 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.468 -2.321 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.772 -1.834 -0.248 1.00 0.00 H new ATOM 901 N TRP A 61 11.562 -6.837 0.014 1.00 0.00 N ATOM 902 CA TRP A 61 12.070 -7.951 0.897 1.00 0.00 C ATOM 903 C TRP A 61 13.577 -8.158 0.766 1.00 0.00 C ATOM 904 O TRP A 61 14.220 -7.599 -0.105 1.00 0.00 O ATOM 905 CB TRP A 61 11.429 -9.257 0.419 1.00 0.00 C ATOM 906 CG TRP A 61 12.182 -9.631 -0.844 1.00 0.00 C ATOM 907 CD1 TRP A 61 12.230 -8.846 -1.895 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.972 -10.674 -1.002 1.00 0.00 C ATOM 909 NE1 TRP A 61 13.103 -9.442 -2.700 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.600 -10.600 -2.222 1.00 0.00 C ATOM 911 CE3 TRP A 61 13.214 -11.759 -0.190 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.441 -11.573 -2.647 1.00 0.00 C ATOM 913 CZ3 TRP A 61 14.074 -12.765 -0.619 1.00 0.00 C ATOM 914 CH2 TRP A 61 14.685 -12.667 -1.856 1.00 0.00 C ATOM 0 H TRP A 61 10.881 -7.121 -0.690 1.00 0.00 H new ATOM 0 HA TRP A 61 11.827 -7.689 1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.515 -10.038 1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.366 -9.124 0.219 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.686 -7.929 -2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.374 -9.055 -3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.738 -11.829 0.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 14.921 -11.487 -3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.264 -13.620 0.012 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.350 -13.447 -2.197 1.00 0.00 H new ATOM 925 N CYS A 62 14.093 -8.982 1.645 1.00 0.00 N ATOM 926 CA CYS A 62 15.557 -9.296 1.651 1.00 0.00 C ATOM 927 C CYS A 62 15.872 -10.230 2.787 1.00 0.00 C ATOM 928 O CYS A 62 15.653 -9.897 3.937 1.00 0.00 O ATOM 929 CB CYS A 62 16.359 -8.033 1.855 1.00 0.00 C ATOM 930 SG CYS A 62 18.170 -8.175 1.739 1.00 0.00 S ATOM 0 H CYS A 62 13.554 -9.457 2.369 1.00 0.00 H new ATOM 0 HA CYS A 62 15.813 -9.754 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.029 -7.300 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 62 16.113 -7.631 2.838 1.00 0.00 H new ATOM 935 N TYR A 63 16.378 -11.373 2.464 1.00 0.00 N ATOM 936 CA TYR A 63 16.702 -12.323 3.540 1.00 0.00 C ATOM 937 C TYR A 63 18.054 -12.029 4.154 1.00 0.00 C ATOM 938 O TYR A 63 18.787 -11.161 3.705 1.00 0.00 O ATOM 939 CB TYR A 63 16.699 -13.750 2.983 1.00 0.00 C ATOM 940 CG TYR A 63 15.279 -14.316 3.026 1.00 0.00 C ATOM 941 CD1 TYR A 63 14.242 -13.660 2.406 1.00 0.00 C ATOM 942 CD2 TYR A 63 15.023 -15.497 3.685 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.963 -14.179 2.443 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.747 -16.014 3.721 1.00 0.00 C ATOM 945 CZ TYR A 63 12.709 -15.359 3.101 1.00 0.00 C ATOM 946 OH TYR A 63 11.436 -15.873 3.148 1.00 0.00 O ATOM 0 H TYR A 63 16.579 -11.687 1.515 1.00 0.00 H new ATOM 0 HA TYR A 63 15.945 -12.220 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 63 17.071 -13.752 1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.370 -14.380 3.567 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.429 -12.732 1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.828 -16.022 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.157 -13.654 1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.560 -16.942 4.241 1.00 0.00 H new ATOM 0 HH TYR A 63 11.441 -16.713 3.653 1.00 0.00 H new ATOM 956 N THR A 64 18.372 -12.768 5.175 1.00 0.00 N ATOM 957 CA THR A 64 19.673 -12.549 5.838 1.00 0.00 C ATOM 958 C THR A 64 20.399 -13.857 6.141 1.00 0.00 C ATOM 959 O THR A 64 19.880 -14.938 5.944 1.00 0.00 O ATOM 960 CB THR A 64 19.434 -11.790 7.146 1.00 0.00 C ATOM 961 OG1 THR A 64 19.394 -12.778 8.169 1.00 0.00 O ATOM 962 CG2 THR A 64 18.040 -11.148 7.169 1.00 0.00 C ATOM 0 H THR A 64 17.791 -13.506 5.573 1.00 0.00 H new ATOM 0 HA THR A 64 20.305 -11.976 5.159 1.00 0.00 H new ATOM 0 HB THR A 64 20.204 -11.028 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.468 -13.067 8.308 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.900 -10.616 8.110 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.948 -10.447 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.280 -11.924 7.074 1.00 0.00 H new ATOM 970 N THR A 65 21.592 -13.705 6.624 1.00 0.00 N ATOM 971 CA THR A 65 22.437 -14.881 6.971 1.00 0.00 C ATOM 972 C THR A 65 21.875 -15.711 8.142 1.00 0.00 C ATOM 973 O THR A 65 22.468 -16.703 8.518 1.00 0.00 O ATOM 974 CB THR A 65 23.829 -14.319 7.345 1.00 0.00 C ATOM 975 OG1 THR A 65 24.697 -14.741 6.312 1.00 0.00 O ATOM 976 CG2 THR A 65 24.397 -14.975 8.600 1.00 0.00 C ATOM 0 H THR A 65 22.030 -12.800 6.798 1.00 0.00 H new ATOM 0 HA THR A 65 22.473 -15.561 6.120 1.00 0.00 H new ATOM 0 HB THR A 65 23.744 -13.242 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.603 -14.412 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.375 -14.548 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.724 -14.798 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.498 -16.048 8.436 1.00 0.00 H new ATOM 984 N ASP A 66 20.748 -15.329 8.686 1.00 0.00 N ATOM 985 CA ASP A 66 20.211 -16.132 9.821 1.00 0.00 C ATOM 986 C ASP A 66 18.698 -16.422 9.728 1.00 0.00 C ATOM 987 O ASP A 66 17.911 -15.573 9.371 1.00 0.00 O ATOM 988 CB ASP A 66 20.445 -15.316 11.094 1.00 0.00 C ATOM 989 CG ASP A 66 21.661 -15.849 11.846 1.00 0.00 C ATOM 990 OD1 ASP A 66 21.664 -17.041 12.103 1.00 0.00 O ATOM 991 OD2 ASP A 66 22.513 -15.032 12.125 1.00 0.00 O ATOM 0 H ASP A 66 20.192 -14.522 8.404 1.00 0.00 H new ATOM 0 HA ASP A 66 20.720 -17.096 9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.597 -14.267 10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 66 19.563 -15.365 11.733 1.00 0.00 H new ATOM 996 N PRO A 67 18.343 -17.652 10.072 1.00 0.00 N ATOM 997 CA PRO A 67 16.947 -18.111 10.052 1.00 0.00 C ATOM 998 C PRO A 67 16.059 -17.217 10.932 1.00 0.00 C ATOM 999 O PRO A 67 15.015 -16.770 10.502 1.00 0.00 O ATOM 1000 CB PRO A 67 17.002 -19.540 10.650 1.00 0.00 C ATOM 1001 CG PRO A 67 18.492 -19.834 11.007 1.00 0.00 C ATOM 1002 CD PRO A 67 19.323 -18.660 10.470 1.00 0.00 C ATOM 0 HA PRO A 67 16.526 -18.082 9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.373 -19.610 11.537 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.626 -20.271 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.618 -19.934 12.085 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.818 -20.773 10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.999 -18.274 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.939 -18.967 9.625 1.00 0.00 H new ATOM 1010 N GLU A 68 16.487 -16.983 12.154 1.00 0.00 N ATOM 1011 CA GLU A 68 15.673 -16.117 13.065 1.00 0.00 C ATOM 1012 C GLU A 68 15.358 -14.798 12.365 1.00 0.00 C ATOM 1013 O GLU A 68 14.216 -14.390 12.261 1.00 0.00 O ATOM 1014 CB GLU A 68 16.500 -15.836 14.330 1.00 0.00 C ATOM 1015 CG GLU A 68 15.552 -15.638 15.517 1.00 0.00 C ATOM 1016 CD GLU A 68 16.353 -15.166 16.729 1.00 0.00 C ATOM 1017 OE1 GLU A 68 16.586 -13.971 16.788 1.00 0.00 O ATOM 1018 OE2 GLU A 68 16.688 -16.028 17.523 1.00 0.00 O ATOM 0 H GLU A 68 17.351 -17.349 12.553 1.00 0.00 H new ATOM 0 HA GLU A 68 14.740 -16.617 13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.180 -16.665 14.526 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.114 -14.947 14.187 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.785 -14.906 15.266 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.039 -16.572 15.747 1.00 0.00 H new ATOM 1025 N LYS A 69 16.388 -14.169 11.896 1.00 0.00 N ATOM 1026 CA LYS A 69 16.226 -12.877 11.190 1.00 0.00 C ATOM 1027 C LYS A 69 16.272 -13.168 9.706 1.00 0.00 C ATOM 1028 O LYS A 69 16.913 -12.485 8.954 1.00 0.00 O ATOM 1029 CB LYS A 69 17.415 -11.973 11.561 1.00 0.00 C ATOM 1030 CG LYS A 69 18.725 -12.728 11.276 1.00 0.00 C ATOM 1031 CD LYS A 69 19.911 -11.913 11.822 1.00 0.00 C ATOM 1032 CE LYS A 69 20.805 -11.476 10.662 1.00 0.00 C ATOM 1033 NZ LYS A 69 20.011 -10.690 9.679 1.00 0.00 N ATOM 0 H LYS A 69 17.350 -14.499 11.972 1.00 0.00 H new ATOM 0 HA LYS A 69 15.290 -12.388 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.380 -11.049 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.362 -11.694 12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.700 -13.713 11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.841 -12.887 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.547 -11.040 12.364 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.483 -12.513 12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.634 -10.875 11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 69 21.239 -12.350 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.646 -10.070 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.522 -11.339 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.309 -10.111 10.183 1.00 0.00 H new ATOM 1047 N ARG A 70 15.577 -14.203 9.336 1.00 0.00 N ATOM 1048 CA ARG A 70 15.525 -14.623 7.907 1.00 0.00 C ATOM 1049 C ARG A 70 15.354 -13.489 6.899 1.00 0.00 C ATOM 1050 O ARG A 70 15.947 -13.547 5.849 1.00 0.00 O ATOM 1051 CB ARG A 70 14.361 -15.610 7.730 1.00 0.00 C ATOM 1052 CG ARG A 70 13.001 -14.874 7.737 1.00 0.00 C ATOM 1053 CD ARG A 70 12.103 -15.473 6.641 1.00 0.00 C ATOM 1054 NE ARG A 70 10.757 -15.781 7.215 1.00 0.00 N ATOM 1055 CZ ARG A 70 10.491 -16.975 7.612 1.00 0.00 C ATOM 1056 NH1 ARG A 70 10.307 -17.894 6.732 1.00 0.00 N ATOM 1057 NH2 ARG A 70 10.421 -17.205 8.871 1.00 0.00 N ATOM 0 H ARG A 70 15.033 -14.787 9.972 1.00 0.00 H new ATOM 0 HA ARG A 70 16.497 -15.068 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.480 -16.152 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.382 -16.349 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.523 -14.974 8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.149 -13.808 7.562 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.005 -14.772 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.556 -16.380 6.240 1.00 0.00 H new ATOM 0 HE ARG A 70 10.053 -15.047 7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.373 -17.670 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.095 -18.847 7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.575 -16.448 9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.211 -18.145 9.207 1.00 0.00 H new ATOM 1071 N TYR A 71 14.569 -12.486 7.221 1.00 0.00 N ATOM 1072 CA TYR A 71 14.388 -11.378 6.250 1.00 0.00 C ATOM 1073 C TYR A 71 13.435 -10.277 6.746 1.00 0.00 C ATOM 1074 O TYR A 71 12.961 -10.285 7.867 1.00 0.00 O ATOM 1075 CB TYR A 71 13.772 -11.996 4.951 1.00 0.00 C ATOM 1076 CG TYR A 71 12.234 -11.882 4.962 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.507 -12.131 6.112 1.00 0.00 C ATOM 1078 CD2 TYR A 71 11.556 -11.530 3.814 1.00 0.00 C ATOM 1079 CE1 TYR A 71 10.131 -12.028 6.109 1.00 0.00 C ATOM 1080 CE2 TYR A 71 10.179 -11.427 3.813 1.00 0.00 C ATOM 1081 CZ TYR A 71 9.458 -11.676 4.961 1.00 0.00 C ATOM 1082 OH TYR A 71 8.084 -11.569 4.961 1.00 0.00 O ATOM 0 H TYR A 71 14.058 -12.394 8.099 1.00 0.00 H new ATOM 0 HA TYR A 71 15.361 -10.913 6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 71 14.172 -11.485 4.075 1.00 0.00 H new ATOM 0 HB3 TYR A 71 14.062 -13.043 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 71 12.021 -12.409 7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.107 -11.333 2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.577 -12.225 7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.663 -11.149 2.906 1.00 0.00 H new ATOM 0 HH TYR A 71 7.817 -10.784 4.439 1.00 0.00 H new ATOM 1092 N ASP A 72 13.192 -9.376 5.840 1.00 0.00 N ATOM 1093 CA ASP A 72 12.294 -8.199 6.069 1.00 0.00 C ATOM 1094 C ASP A 72 12.445 -7.248 4.869 1.00 0.00 C ATOM 1095 O ASP A 72 13.141 -7.568 3.916 1.00 0.00 O ATOM 1096 CB ASP A 72 12.678 -7.449 7.380 1.00 0.00 C ATOM 1097 CG ASP A 72 11.407 -6.988 8.117 1.00 0.00 C ATOM 1098 OD1 ASP A 72 10.430 -6.743 7.425 1.00 0.00 O ATOM 1099 OD2 ASP A 72 11.493 -6.887 9.332 1.00 0.00 O ATOM 0 H ASP A 72 13.596 -9.405 4.904 1.00 0.00 H new ATOM 0 HA ASP A 72 11.264 -8.541 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.264 -8.104 8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.304 -6.588 7.146 1.00 0.00 H new ATOM 1104 N TYR A 73 11.805 -6.113 4.921 1.00 0.00 N ATOM 1105 CA TYR A 73 11.918 -5.148 3.773 1.00 0.00 C ATOM 1106 C TYR A 73 12.880 -4.009 4.082 1.00 0.00 C ATOM 1107 O TYR A 73 12.536 -3.093 4.775 1.00 0.00 O ATOM 1108 CB TYR A 73 10.513 -4.600 3.507 1.00 0.00 C ATOM 1109 CG TYR A 73 9.568 -5.780 3.589 1.00 0.00 C ATOM 1110 CD1 TYR A 73 9.413 -6.613 2.511 1.00 0.00 C ATOM 1111 CD2 TYR A 73 8.932 -6.092 4.774 1.00 0.00 C ATOM 1112 CE1 TYR A 73 8.647 -7.741 2.608 1.00 0.00 C ATOM 1113 CE2 TYR A 73 8.161 -7.227 4.868 1.00 0.00 C ATOM 1114 CZ TYR A 73 8.016 -8.057 3.783 1.00 0.00 C ATOM 1115 OH TYR A 73 7.249 -9.201 3.867 1.00 0.00 O ATOM 0 H TYR A 73 11.214 -5.808 5.694 1.00 0.00 H new ATOM 0 HA TYR A 73 12.317 -5.661 2.898 1.00 0.00 H new ATOM 0 HB2 TYR A 73 10.248 -3.839 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.460 -4.128 2.526 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.900 -6.376 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.040 -5.443 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.538 -8.389 1.751 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.668 -7.467 5.798 1.00 0.00 H new ATOM 0 HH TYR A 73 6.413 -9.071 3.373 1.00 0.00 H new ATOM 1125 N CYS A 74 14.079 -4.110 3.538 1.00 0.00 N ATOM 1126 CA CYS A 74 15.144 -3.046 3.767 1.00 0.00 C ATOM 1127 C CYS A 74 14.584 -1.713 4.201 1.00 0.00 C ATOM 1128 O CYS A 74 13.622 -1.231 3.638 1.00 0.00 O ATOM 1129 CB CYS A 74 15.869 -2.780 2.450 1.00 0.00 C ATOM 1130 SG CYS A 74 17.443 -3.607 2.131 1.00 0.00 S ATOM 0 H CYS A 74 14.374 -4.884 2.942 1.00 0.00 H new ATOM 0 HA CYS A 74 15.790 -3.435 4.554 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.189 -3.045 1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.042 -1.706 2.381 1.00 0.00 H new ATOM 1135 N ASP A 75 15.227 -1.115 5.167 1.00 0.00 N ATOM 1136 CA ASP A 75 14.752 0.190 5.651 1.00 0.00 C ATOM 1137 C ASP A 75 14.899 1.239 4.528 1.00 0.00 C ATOM 1138 O ASP A 75 15.820 2.035 4.512 1.00 0.00 O ATOM 1139 CB ASP A 75 15.601 0.595 6.879 1.00 0.00 C ATOM 1140 CG ASP A 75 14.987 1.839 7.521 1.00 0.00 C ATOM 1141 OD1 ASP A 75 14.140 1.635 8.372 1.00 0.00 O ATOM 1142 OD2 ASP A 75 15.399 2.920 7.119 1.00 0.00 O ATOM 0 H ASP A 75 16.057 -1.481 5.634 1.00 0.00 H new ATOM 0 HA ASP A 75 13.702 0.131 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.635 -0.222 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.629 0.796 6.576 1.00 0.00 H new ATOM 1147 N ILE A 76 13.997 1.176 3.583 1.00 0.00 N ATOM 1148 CA ILE A 76 14.030 2.129 2.448 1.00 0.00 C ATOM 1149 C ILE A 76 13.086 3.295 2.763 1.00 0.00 C ATOM 1150 O ILE A 76 12.126 3.132 3.493 1.00 0.00 O ATOM 1151 CB ILE A 76 13.560 1.375 1.173 1.00 0.00 C ATOM 1152 CG1 ILE A 76 14.759 0.744 0.432 1.00 0.00 C ATOM 1153 CG2 ILE A 76 12.890 2.371 0.212 1.00 0.00 C ATOM 1154 CD1 ILE A 76 14.653 -0.773 0.476 1.00 0.00 C ATOM 0 H ILE A 76 13.236 0.498 3.554 1.00 0.00 H new ATOM 0 HA ILE A 76 15.034 2.521 2.287 1.00 0.00 H new ATOM 0 HB ILE A 76 12.866 0.593 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.780 1.086 -0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.693 1.066 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.559 1.846 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 76 12.031 2.828 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.605 3.146 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.502 -1.212 -0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.654 -1.108 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 76 13.727 -1.087 -0.005 1.00 0.00 H new ATOM 1166 N LEU A 77 13.374 4.437 2.209 1.00 0.00 N ATOM 1167 CA LEU A 77 12.506 5.626 2.466 1.00 0.00 C ATOM 1168 C LEU A 77 11.025 5.362 2.155 1.00 0.00 C ATOM 1169 O LEU A 77 10.662 4.350 1.577 1.00 0.00 O ATOM 1170 CB LEU A 77 13.004 6.783 1.581 1.00 0.00 C ATOM 1171 CG LEU A 77 14.206 7.471 2.258 1.00 0.00 C ATOM 1172 CD1 LEU A 77 13.814 7.920 3.675 1.00 0.00 C ATOM 1173 CD2 LEU A 77 15.379 6.487 2.346 1.00 0.00 C ATOM 0 H LEU A 77 14.169 4.602 1.591 1.00 0.00 H new ATOM 0 HA LEU A 77 12.573 5.867 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.293 6.406 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.202 7.504 1.422 1.00 0.00 H new ATOM 0 HG LEU A 77 14.500 8.339 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.666 8.406 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.982 8.621 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.517 7.051 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.228 6.975 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.082 5.618 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.662 6.168 1.343 1.00 0.00 H new ATOM 1185 N GLU A 78 10.195 6.299 2.553 1.00 0.00 N ATOM 1186 CA GLU A 78 8.725 6.162 2.310 1.00 0.00 C ATOM 1187 C GLU A 78 8.148 4.944 3.042 1.00 0.00 C ATOM 1188 O GLU A 78 6.985 4.631 2.904 1.00 0.00 O ATOM 1189 CB GLU A 78 8.489 6.003 0.798 1.00 0.00 C ATOM 1190 CG GLU A 78 7.627 7.172 0.287 1.00 0.00 C ATOM 1191 CD GLU A 78 6.149 6.766 0.307 1.00 0.00 C ATOM 1192 OE1 GLU A 78 5.853 5.767 -0.335 1.00 0.00 O ATOM 1193 OE2 GLU A 78 5.402 7.472 0.958 1.00 0.00 O ATOM 0 H GLU A 78 10.474 7.153 3.036 1.00 0.00 H new ATOM 0 HA GLU A 78 8.224 7.053 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.443 5.983 0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.992 5.055 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.782 8.052 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.927 7.443 -0.725 1.00 0.00 H new ATOM 1200 N CYS A 79 8.980 4.273 3.790 1.00 0.00 N ATOM 1201 CA CYS A 79 8.504 3.072 4.541 1.00 0.00 C ATOM 1202 C CYS A 79 8.654 3.276 6.045 1.00 0.00 C ATOM 1203 O CYS A 79 8.110 2.452 6.759 1.00 0.00 O ATOM 1204 CB CYS A 79 9.349 1.858 4.130 1.00 0.00 C ATOM 1205 SG CYS A 79 8.454 0.329 3.747 1.00 0.00 S ATOM 1206 OXT CYS A 79 9.308 4.241 6.396 1.00 0.00 O ATOM 0 H CYS A 79 9.966 4.502 3.915 1.00 0.00 H new ATOM 0 HA CYS A 79 7.452 2.912 4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 79 9.938 2.135 3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 79 10.053 1.647 4.935 1.00 0.00 H new TER 1211 CYS A 79