USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 547 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 HIS : no HD1:sc= -5.17! C(o=-7!,f=-12!) USER MOD Set 1.2: A 73 SER OG : rot 179:sc= -1.79! USER MOD Set 2.1: A 64 ASN : amide:sc= -4.77! C(o=-7.7!,f=-9.1!) USER MOD Set 2.2: A 70 GLN : amide:sc= -2.95! C(o=-7.7!,f=-18!) USER MOD Set 3.1: A 60 TYR OH : rot 180:sc=-0.00799 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN : amide:sc= -12.2! C(o=-12!,f=-17!) USER MOD Single : A 1 ASN N :NH3+ -108:sc= -12.7! (180deg=-15.2!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -132:sc= -3.68! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -4:sc= 0.307 USER MOD Single : A 25 SER OG : rot 2:sc= -0.481! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -80:sc= 1.18 USER MOD Single : A 31 THR OG1 : rot 36:sc= -2.96! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.107) USER MOD Single : A 38 SER OG : rot -71:sc= 1.18 USER MOD Single : A 43 HIS : no HD1:sc= -6.61! C(o=-6.6!,f=-7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.0527 (180deg=-0.469) USER MOD Single : A 48 SER OG : rot 78:sc= -0.535! USER MOD Single : A 59 MET CE :methyl 158:sc= -1.2 (180deg=-1.78) USER MOD Single : A 61 CYS SG : rot 40:sc= 0.376 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -17:sc= -0.503! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 102:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.771 1.400 -3.844 1.00 0.00 N ATOM 2 CA ASN A 1 -2.432 2.817 -3.889 1.00 0.00 C ATOM 3 C ASN A 1 -1.045 3.027 -4.488 1.00 0.00 C ATOM 4 O ASN A 1 -0.910 3.490 -5.621 1.00 0.00 O ATOM 5 CB ASN A 1 -2.491 3.421 -2.484 1.00 0.00 C ATOM 6 CG ASN A 1 -2.335 4.929 -2.497 1.00 0.00 C ATOM 7 OD1 ASN A 1 -1.401 5.463 -3.094 1.00 0.00 O ATOM 8 ND2 ASN A 1 -3.253 5.624 -1.835 1.00 0.00 N ATOM 0 H1 ASN A 1 -3.497 1.194 -4.560 1.00 0.00 H new ATOM 0 H2 ASN A 1 -1.921 0.833 -4.039 1.00 0.00 H new ATOM 0 H3 ASN A 1 -3.138 1.161 -2.901 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.161 3.319 -4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -3.442 3.161 -2.019 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -1.705 2.982 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -3.200 6.642 -1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -4.011 5.139 -1.354 1.00 0.00 H new ATOM 15 N TYR A 2 -0.018 2.681 -3.720 1.00 0.00 N ATOM 16 CA TYR A 2 1.360 2.833 -4.174 1.00 0.00 C ATOM 17 C TYR A 2 2.003 1.473 -4.426 1.00 0.00 C ATOM 18 O TYR A 2 3.183 1.383 -4.766 1.00 0.00 O ATOM 19 CB TYR A 2 2.176 3.612 -3.141 1.00 0.00 C ATOM 20 CG TYR A 2 1.371 4.648 -2.390 1.00 0.00 C ATOM 21 CD1 TYR A 2 1.546 6.005 -2.636 1.00 0.00 C ATOM 22 CD2 TYR A 2 0.437 4.271 -1.433 1.00 0.00 C ATOM 23 CE1 TYR A 2 0.813 6.954 -1.951 1.00 0.00 C ATOM 24 CE2 TYR A 2 -0.302 5.215 -0.745 1.00 0.00 C ATOM 25 CZ TYR A 2 -0.109 6.555 -1.007 1.00 0.00 C ATOM 26 OH TYR A 2 -0.841 7.498 -0.324 1.00 0.00 O ATOM 0 H TYR A 2 -0.113 2.294 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 2 1.348 3.389 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.606 2.910 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.008 4.105 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 2 2.267 6.322 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.286 3.222 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.961 8.004 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.026 4.905 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 2 -1.446 7.051 0.304 1.00 0.00 H new ATOM 36 N THR A 3 1.217 0.413 -4.258 1.00 0.00 N ATOM 37 CA THR A 3 1.708 -0.943 -4.466 1.00 0.00 C ATOM 38 C THR A 3 0.924 -1.649 -5.566 1.00 0.00 C ATOM 39 O THR A 3 -0.293 -1.495 -5.669 1.00 0.00 O ATOM 40 CB THR A 3 1.622 -1.777 -3.174 1.00 0.00 C ATOM 41 OG1 THR A 3 0.320 -2.363 -3.055 1.00 0.00 O ATOM 42 CG2 THR A 3 1.908 -0.915 -1.953 1.00 0.00 C ATOM 0 H THR A 3 0.238 0.469 -3.978 1.00 0.00 H new ATOM 0 HA THR A 3 2.753 -0.858 -4.765 1.00 0.00 H new ATOM 0 HB THR A 3 2.372 -2.566 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.027 -2.209 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.841 -1.526 -1.053 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.910 -0.493 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.178 -0.108 -1.898 1.00 0.00 H new ATOM 50 N GLU A 4 1.628 -2.424 -6.385 1.00 0.00 N ATOM 51 CA GLU A 4 0.995 -3.154 -7.477 1.00 0.00 C ATOM 52 C GLU A 4 -0.410 -3.604 -7.090 1.00 0.00 C ATOM 53 O GLU A 4 -0.590 -4.668 -6.498 1.00 0.00 O ATOM 54 CB GLU A 4 1.842 -4.366 -7.868 1.00 0.00 C ATOM 55 CG GLU A 4 1.354 -5.070 -9.123 1.00 0.00 C ATOM 56 CD GLU A 4 2.483 -5.703 -9.914 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.533 -6.948 -9.984 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.317 -4.952 -10.462 1.00 0.00 O ATOM 0 H GLU A 4 2.636 -2.562 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 4 0.919 -2.482 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.873 -4.045 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.847 -5.077 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.633 -5.840 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.829 -4.354 -9.756 1.00 0.00 H new ATOM 65 N GLU A 5 -1.401 -2.786 -7.426 1.00 0.00 N ATOM 66 CA GLU A 5 -2.791 -3.099 -7.111 1.00 0.00 C ATOM 67 C GLU A 5 -3.202 -4.430 -7.735 1.00 0.00 C ATOM 68 O GLU A 5 -2.782 -4.766 -8.843 1.00 0.00 O ATOM 69 CB GLU A 5 -3.713 -1.985 -7.606 1.00 0.00 C ATOM 70 CG GLU A 5 -4.954 -1.795 -6.749 1.00 0.00 C ATOM 71 CD GLU A 5 -6.114 -1.201 -7.523 1.00 0.00 C ATOM 72 OE1 GLU A 5 -6.101 -1.287 -8.769 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.034 -0.650 -6.885 1.00 0.00 O ATOM 0 H GLU A 5 -1.268 -1.901 -7.916 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.882 -3.180 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.155 -1.049 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.018 -2.205 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.254 -2.757 -6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.713 -1.145 -5.907 1.00 0.00 H new ATOM 80 N LEU A 6 -4.026 -5.184 -7.015 1.00 0.00 N ATOM 81 CA LEU A 6 -4.495 -6.478 -7.496 1.00 0.00 C ATOM 82 C LEU A 6 -5.846 -6.344 -8.191 1.00 0.00 C ATOM 83 O LEU A 6 -6.860 -6.059 -7.553 1.00 0.00 O ATOM 84 CB LEU A 6 -4.604 -7.468 -6.335 1.00 0.00 C ATOM 85 CG LEU A 6 -3.359 -7.611 -5.457 1.00 0.00 C ATOM 86 CD1 LEU A 6 -3.462 -8.851 -4.584 1.00 0.00 C ATOM 87 CD2 LEU A 6 -2.104 -7.663 -6.316 1.00 0.00 C ATOM 0 H LEU A 6 -4.383 -4.921 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.770 -6.853 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.438 -7.165 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.852 -8.448 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.294 -6.739 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.568 -8.937 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.340 -8.773 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.552 -9.734 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.228 -7.765 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.161 -8.517 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.023 -6.745 -6.898 1.00 0.00 H new ATOM 99 N LYS A 7 -5.854 -6.552 -9.504 1.00 0.00 N ATOM 100 CA LYS A 7 -7.081 -6.458 -10.287 1.00 0.00 C ATOM 101 C LYS A 7 -8.270 -7.000 -9.502 1.00 0.00 C ATOM 102 O LYS A 7 -9.406 -6.569 -9.700 1.00 0.00 O ATOM 103 CB LYS A 7 -6.930 -7.225 -11.602 1.00 0.00 C ATOM 104 CG LYS A 7 -8.063 -6.980 -12.583 1.00 0.00 C ATOM 105 CD LYS A 7 -8.197 -8.121 -13.577 1.00 0.00 C ATOM 106 CE LYS A 7 -8.626 -7.619 -14.948 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.226 -8.703 -15.773 1.00 0.00 N ATOM 0 H LYS A 7 -5.024 -6.787 -10.048 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.264 -5.406 -10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.987 -6.943 -12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.872 -8.292 -11.386 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.999 -6.860 -12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.886 -6.048 -13.120 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.245 -8.645 -13.662 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.926 -8.843 -13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.348 -6.811 -14.829 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.764 -7.202 -15.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.505 -8.321 -16.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.529 -9.463 -15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.064 -9.084 -15.289 1.00 0.00 H new ATOM 121 N VAL A 8 -8.002 -7.948 -8.611 1.00 0.00 N ATOM 122 CA VAL A 8 -9.051 -8.548 -7.793 1.00 0.00 C ATOM 123 C VAL A 8 -8.535 -8.886 -6.399 1.00 0.00 C ATOM 124 O VAL A 8 -7.331 -8.901 -6.142 1.00 0.00 O ATOM 125 CB VAL A 8 -9.608 -9.827 -8.446 1.00 0.00 C ATOM 126 CG1 VAL A 8 -11.005 -9.581 -8.996 1.00 0.00 C ATOM 127 CG2 VAL A 8 -8.674 -10.316 -9.543 1.00 0.00 C ATOM 0 H VAL A 8 -7.068 -8.318 -8.436 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.850 -7.811 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.674 -10.603 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.382 -10.496 -9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.668 -9.281 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.967 -8.790 -9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.083 -11.220 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.574 -9.544 -10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.695 -10.534 -9.117 1.00 0.00 H new ATOM 137 N PRO A 9 -9.467 -9.165 -5.475 1.00 0.00 N ATOM 138 CA PRO A 9 -9.132 -9.509 -4.091 1.00 0.00 C ATOM 139 C PRO A 9 -8.469 -10.879 -3.978 1.00 0.00 C ATOM 140 O PRO A 9 -8.929 -11.866 -4.552 1.00 0.00 O ATOM 141 CB PRO A 9 -10.490 -9.513 -3.387 1.00 0.00 C ATOM 142 CG PRO A 9 -11.475 -9.800 -4.466 1.00 0.00 C ATOM 143 CD PRO A 9 -10.921 -9.167 -5.712 1.00 0.00 C ATOM 0 HA PRO A 9 -8.415 -8.810 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.528 -10.271 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.692 -8.553 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.606 -10.874 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.454 -9.387 -4.221 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.182 -9.738 -6.603 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.306 -8.158 -5.856 1.00 0.00 H new ATOM 151 N PRO A 10 -7.364 -10.942 -3.221 1.00 0.00 N ATOM 152 CA PRO A 10 -6.616 -12.185 -3.014 1.00 0.00 C ATOM 153 C PRO A 10 -7.381 -13.186 -2.155 1.00 0.00 C ATOM 154 O PRO A 10 -8.589 -13.054 -1.959 1.00 0.00 O ATOM 155 CB PRO A 10 -5.347 -11.721 -2.294 1.00 0.00 C ATOM 156 CG PRO A 10 -5.740 -10.455 -1.613 1.00 0.00 C ATOM 157 CD PRO A 10 -6.760 -9.805 -2.507 1.00 0.00 C ATOM 0 HA PRO A 10 -6.423 -12.705 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.004 -12.466 -1.577 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.531 -11.556 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.157 -10.656 -0.626 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.877 -9.805 -1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.503 -9.251 -1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.298 -9.098 -3.196 1.00 0.00 H new ATOM 165 N ASP A 11 -6.669 -14.186 -1.644 1.00 0.00 N ATOM 166 CA ASP A 11 -7.282 -15.208 -0.804 1.00 0.00 C ATOM 167 C ASP A 11 -6.456 -15.440 0.457 1.00 0.00 C ATOM 168 O ASP A 11 -6.185 -16.580 0.831 1.00 0.00 O ATOM 169 CB ASP A 11 -7.427 -16.517 -1.581 1.00 0.00 C ATOM 170 CG ASP A 11 -8.538 -17.393 -1.037 1.00 0.00 C ATOM 171 OD1 ASP A 11 -9.721 -17.047 -1.240 1.00 0.00 O ATOM 172 OD2 ASP A 11 -8.226 -18.426 -0.408 1.00 0.00 O ATOM 0 H ASP A 11 -5.668 -14.310 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.271 -14.857 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.625 -16.294 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.485 -17.065 -1.544 1.00 0.00 H new ATOM 177 N GLU A 12 -6.059 -14.351 1.108 1.00 0.00 N ATOM 178 CA GLU A 12 -5.262 -14.437 2.326 1.00 0.00 C ATOM 179 C GLU A 12 -5.980 -13.767 3.494 1.00 0.00 C ATOM 180 O GLU A 12 -6.848 -14.366 4.129 1.00 0.00 O ATOM 181 CB GLU A 12 -3.893 -13.788 2.114 1.00 0.00 C ATOM 182 CG GLU A 12 -2.945 -14.626 1.272 1.00 0.00 C ATOM 183 CD GLU A 12 -2.734 -14.050 -0.115 1.00 0.00 C ATOM 184 OE1 GLU A 12 -3.074 -14.739 -1.101 1.00 0.00 O ATOM 185 OE2 GLU A 12 -2.228 -12.913 -0.216 1.00 0.00 O ATOM 0 H GLU A 12 -6.276 -13.399 0.812 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.122 -15.491 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.030 -12.819 1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.434 -13.602 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.984 -14.702 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.340 -15.638 1.185 1.00 0.00 H new ATOM 192 N ASP A 13 -5.610 -12.521 3.771 1.00 0.00 N ATOM 193 CA ASP A 13 -6.219 -11.769 4.862 1.00 0.00 C ATOM 194 C ASP A 13 -5.319 -10.615 5.295 1.00 0.00 C ATOM 195 O ASP A 13 -4.094 -10.702 5.203 1.00 0.00 O ATOM 196 CB ASP A 13 -6.498 -12.687 6.052 1.00 0.00 C ATOM 197 CG ASP A 13 -7.949 -13.122 6.119 1.00 0.00 C ATOM 198 OD1 ASP A 13 -8.401 -13.510 7.217 1.00 0.00 O ATOM 199 OD2 ASP A 13 -8.632 -13.072 5.076 1.00 0.00 O ATOM 0 H ASP A 13 -4.892 -12.011 3.256 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.162 -11.357 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.860 -13.568 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.233 -12.171 6.975 1.00 0.00 H new ATOM 204 N CYS A 14 -5.934 -9.535 5.764 1.00 0.00 N ATOM 205 CA CYS A 14 -5.188 -8.364 6.210 1.00 0.00 C ATOM 206 C CYS A 14 -4.369 -8.682 7.457 1.00 0.00 C ATOM 207 O CYS A 14 -4.762 -9.515 8.274 1.00 0.00 O ATOM 208 CB CYS A 14 -6.145 -7.204 6.496 1.00 0.00 C ATOM 209 SG CYS A 14 -5.311 -5.646 6.941 1.00 0.00 S ATOM 0 H CYS A 14 -6.947 -9.446 5.845 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.503 -8.074 5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.766 -7.033 5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.814 -7.490 7.307 1.00 0.00 H new ATOM 214 N ILE A 15 -3.229 -8.014 7.596 1.00 0.00 N ATOM 215 CA ILE A 15 -2.355 -8.225 8.744 1.00 0.00 C ATOM 216 C ILE A 15 -2.589 -7.163 9.814 1.00 0.00 C ATOM 217 O ILE A 15 -2.289 -7.377 10.990 1.00 0.00 O ATOM 218 CB ILE A 15 -0.871 -8.205 8.333 1.00 0.00 C ATOM 219 CG1 ILE A 15 -0.741 -8.271 6.810 1.00 0.00 C ATOM 220 CG2 ILE A 15 -0.126 -9.360 8.984 1.00 0.00 C ATOM 221 CD1 ILE A 15 0.671 -8.538 6.335 1.00 0.00 C ATOM 0 H ILE A 15 -2.889 -7.322 6.928 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.598 -9.207 9.150 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.426 -7.271 8.677 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.397 -9.054 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.088 -7.330 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.922 -9.332 8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.195 -9.273 10.068 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.570 -10.304 8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.688 -8.572 5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.329 -7.742 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.014 -9.493 6.733 1.00 0.00 H new ATOM 233 N ILE A 16 -3.127 -6.022 9.400 1.00 0.00 N ATOM 234 CA ILE A 16 -3.403 -4.928 10.324 1.00 0.00 C ATOM 235 C ILE A 16 -4.656 -5.208 11.147 1.00 0.00 C ATOM 236 O ILE A 16 -4.579 -5.468 12.348 1.00 0.00 O ATOM 237 CB ILE A 16 -3.579 -3.592 9.580 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.485 -3.424 8.523 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.558 -2.431 10.561 1.00 0.00 C ATOM 240 CD1 ILE A 16 -1.397 -2.455 8.930 1.00 0.00 C ATOM 0 H ILE A 16 -3.381 -5.830 8.431 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.543 -4.852 10.989 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.546 -3.598 9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.037 -4.396 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.938 -3.079 7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.684 -1.494 10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.370 -2.546 11.279 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.605 -2.419 11.090 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.656 -2.385 8.134 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.833 -1.472 9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.917 -2.809 9.842 1.00 0.00 H new ATOM 252 N CYS A 17 -5.812 -5.154 10.492 1.00 0.00 N ATOM 253 CA CYS A 17 -7.083 -5.403 11.161 1.00 0.00 C ATOM 254 C CYS A 17 -7.324 -6.901 11.331 1.00 0.00 C ATOM 255 O CYS A 17 -8.265 -7.314 12.009 1.00 0.00 O ATOM 256 CB CYS A 17 -8.231 -4.776 10.369 1.00 0.00 C ATOM 257 SG CYS A 17 -8.356 -5.366 8.649 1.00 0.00 S ATOM 0 H CYS A 17 -5.894 -4.940 9.498 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.041 -4.946 12.150 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.169 -4.985 10.883 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.105 -3.693 10.362 1.00 0.00 H new ATOM 262 N MET A 18 -6.469 -7.706 10.709 1.00 0.00 N ATOM 263 CA MET A 18 -6.589 -9.157 10.793 1.00 0.00 C ATOM 264 C MET A 18 -7.916 -9.628 10.204 1.00 0.00 C ATOM 265 O MET A 18 -8.327 -10.769 10.414 1.00 0.00 O ATOM 266 CB MET A 18 -6.472 -9.617 12.247 1.00 0.00 C ATOM 267 CG MET A 18 -5.172 -10.344 12.551 1.00 0.00 C ATOM 268 SD MET A 18 -4.856 -11.708 11.415 1.00 0.00 S ATOM 269 CE MET A 18 -3.637 -12.642 12.337 1.00 0.00 C ATOM 0 H MET A 18 -5.687 -7.379 10.142 1.00 0.00 H new ATOM 0 HA MET A 18 -5.777 -9.597 10.214 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.556 -8.750 12.902 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.310 -10.274 12.480 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.345 -9.636 12.502 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.204 -10.726 13.571 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.341 -13.520 11.763 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.763 -12.017 12.521 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.064 -12.958 13.289 1.00 0.00 H new ATOM 279 N GLU A 19 -8.579 -8.742 9.468 1.00 0.00 N ATOM 280 CA GLU A 19 -9.860 -9.067 8.851 1.00 0.00 C ATOM 281 C GLU A 19 -9.656 -9.685 7.470 1.00 0.00 C ATOM 282 O GLU A 19 -8.525 -9.880 7.025 1.00 0.00 O ATOM 283 CB GLU A 19 -10.731 -7.815 8.738 1.00 0.00 C ATOM 284 CG GLU A 19 -10.867 -7.049 10.044 1.00 0.00 C ATOM 285 CD GLU A 19 -12.017 -7.550 10.896 1.00 0.00 C ATOM 286 OE1 GLU A 19 -12.221 -7.000 11.999 1.00 0.00 O ATOM 287 OE2 GLU A 19 -12.713 -8.491 10.461 1.00 0.00 O ATOM 0 H GLU A 19 -8.251 -7.794 9.284 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.366 -9.795 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.307 -7.155 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.723 -8.103 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.938 -7.132 10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.014 -5.991 9.827 1.00 0.00 H new ATOM 294 N LYS A 20 -10.761 -9.991 6.798 1.00 0.00 N ATOM 295 CA LYS A 20 -10.706 -10.586 5.467 1.00 0.00 C ATOM 296 C LYS A 20 -10.241 -9.565 4.434 1.00 0.00 C ATOM 297 O LYS A 20 -10.727 -8.434 4.400 1.00 0.00 O ATOM 298 CB LYS A 20 -12.080 -11.135 5.075 1.00 0.00 C ATOM 299 CG LYS A 20 -12.585 -12.227 6.000 1.00 0.00 C ATOM 300 CD LYS A 20 -13.088 -13.430 5.220 1.00 0.00 C ATOM 301 CE LYS A 20 -11.940 -14.298 4.731 1.00 0.00 C ATOM 302 NZ LYS A 20 -12.090 -14.661 3.295 1.00 0.00 N ATOM 0 H LYS A 20 -11.705 -9.837 7.153 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.987 -11.405 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.800 -10.317 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.029 -11.526 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.783 -12.536 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.388 -11.834 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.750 -14.023 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.678 -13.092 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.998 -13.769 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.890 -15.206 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.287 -15.253 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.976 -15.188 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.112 -13.796 2.719 1.00 0.00 H new ATOM 316 N LEU A 21 -9.297 -9.971 3.592 1.00 0.00 N ATOM 317 CA LEU A 21 -8.767 -9.091 2.555 1.00 0.00 C ATOM 318 C LEU A 21 -9.852 -8.718 1.550 1.00 0.00 C ATOM 319 O LEU A 21 -9.645 -7.866 0.687 1.00 0.00 O ATOM 320 CB LEU A 21 -7.599 -9.767 1.834 1.00 0.00 C ATOM 321 CG LEU A 21 -6.200 -9.334 2.271 1.00 0.00 C ATOM 322 CD1 LEU A 21 -5.138 -10.053 1.452 1.00 0.00 C ATOM 323 CD2 LEU A 21 -6.044 -7.826 2.141 1.00 0.00 C ATOM 0 H LEU A 21 -8.883 -10.903 3.607 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.412 -8.178 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.685 -10.844 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.699 -9.577 0.765 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.068 -9.605 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.148 -9.732 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.235 -11.129 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.268 -9.814 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.042 -7.535 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.197 -7.533 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.781 -7.328 2.771 1.00 0.00 H new ATOM 335 N SER A 22 -11.010 -9.360 1.671 1.00 0.00 N ATOM 336 CA SER A 22 -12.127 -9.096 0.772 1.00 0.00 C ATOM 337 C SER A 22 -13.172 -8.212 1.449 1.00 0.00 C ATOM 338 O SER A 22 -13.938 -7.516 0.784 1.00 0.00 O ATOM 339 CB SER A 22 -12.769 -10.410 0.323 1.00 0.00 C ATOM 340 OG SER A 22 -14.102 -10.205 -0.111 1.00 0.00 O ATOM 0 H SER A 22 -11.199 -10.066 2.382 1.00 0.00 H new ATOM 0 HA SER A 22 -11.742 -8.570 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.183 -10.847 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.757 -11.124 1.147 1.00 0.00 H new ATOM 0 HG SER A 22 -14.489 -11.060 -0.394 1.00 0.00 H new ATOM 346 N THR A 23 -13.196 -8.247 2.778 1.00 0.00 N ATOM 347 CA THR A 23 -14.145 -7.451 3.546 1.00 0.00 C ATOM 348 C THR A 23 -13.703 -5.995 3.626 1.00 0.00 C ATOM 349 O THR A 23 -14.299 -5.194 4.347 1.00 0.00 O ATOM 350 CB THR A 23 -14.314 -8.004 4.974 1.00 0.00 C ATOM 351 OG1 THR A 23 -13.037 -8.124 5.608 1.00 0.00 O ATOM 352 CG2 THR A 23 -15.005 -9.360 4.951 1.00 0.00 C ATOM 0 H THR A 23 -12.569 -8.818 3.344 1.00 0.00 H new ATOM 0 HA THR A 23 -15.101 -7.509 3.026 1.00 0.00 H new ATOM 0 HB THR A 23 -14.934 -7.307 5.538 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.332 -7.882 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.113 -9.731 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.990 -9.259 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.407 -10.063 4.371 1.00 0.00 H new ATOM 360 N ALA A 24 -12.656 -5.657 2.882 1.00 0.00 N ATOM 361 CA ALA A 24 -12.136 -4.295 2.867 1.00 0.00 C ATOM 362 C ALA A 24 -11.248 -4.033 4.078 1.00 0.00 C ATOM 363 O ALA A 24 -11.001 -4.930 4.885 1.00 0.00 O ATOM 364 CB ALA A 24 -13.281 -3.294 2.823 1.00 0.00 C ATOM 0 H ALA A 24 -12.150 -6.308 2.281 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.528 -4.174 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.879 -2.281 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.874 -3.459 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.912 -3.424 3.702 1.00 0.00 H new ATOM 370 N SER A 25 -10.770 -2.799 4.200 1.00 0.00 N ATOM 371 CA SER A 25 -9.905 -2.420 5.311 1.00 0.00 C ATOM 372 C SER A 25 -10.727 -2.116 6.560 1.00 0.00 C ATOM 373 O SER A 25 -11.508 -1.166 6.586 1.00 0.00 O ATOM 374 CB SER A 25 -9.058 -1.203 4.934 1.00 0.00 C ATOM 375 OG SER A 25 -9.800 -0.003 5.074 1.00 0.00 O ATOM 0 H SER A 25 -10.967 -2.044 3.543 1.00 0.00 H new ATOM 0 HA SER A 25 -9.244 -3.259 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.172 -1.162 5.567 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.711 -1.302 3.906 1.00 0.00 H new ATOM 0 HG SER A 25 -10.698 -0.211 5.408 1.00 0.00 H new ATOM 381 N GLY A 26 -10.543 -2.930 7.595 1.00 0.00 N ATOM 382 CA GLY A 26 -11.274 -2.732 8.833 1.00 0.00 C ATOM 383 C GLY A 26 -11.076 -1.344 9.408 1.00 0.00 C ATOM 384 O GLY A 26 -11.876 -0.881 10.221 1.00 0.00 O ATOM 0 H GLY A 26 -9.901 -3.723 7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.336 -2.900 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.952 -3.474 9.564 1.00 0.00 H new ATOM 388 N TYR A 27 -10.007 -0.678 8.986 1.00 0.00 N ATOM 389 CA TYR A 27 -9.704 0.664 9.468 1.00 0.00 C ATOM 390 C TYR A 27 -10.655 1.690 8.857 1.00 0.00 C ATOM 391 O TYR A 27 -10.772 2.812 9.348 1.00 0.00 O ATOM 392 CB TYR A 27 -8.257 1.033 9.136 1.00 0.00 C ATOM 393 CG TYR A 27 -7.261 0.575 10.176 1.00 0.00 C ATOM 394 CD1 TYR A 27 -7.605 -0.387 11.119 1.00 0.00 C ATOM 395 CD2 TYR A 27 -5.976 1.103 10.217 1.00 0.00 C ATOM 396 CE1 TYR A 27 -6.698 -0.808 12.073 1.00 0.00 C ATOM 397 CE2 TYR A 27 -5.063 0.685 11.166 1.00 0.00 C ATOM 398 CZ TYR A 27 -5.428 -0.270 12.092 1.00 0.00 C ATOM 399 OH TYR A 27 -4.522 -0.687 13.039 1.00 0.00 O ATOM 0 H TYR A 27 -9.336 -1.046 8.311 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.835 0.672 10.550 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.991 0.596 8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.183 2.115 9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.598 -0.812 11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.686 1.852 9.495 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.982 -1.554 12.800 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.068 1.104 11.183 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.675 -0.211 12.913 1.00 0.00 H new ATOM 409 N SER A 28 -11.332 1.294 7.785 1.00 0.00 N ATOM 410 CA SER A 28 -12.271 2.179 7.104 1.00 0.00 C ATOM 411 C SER A 28 -13.243 2.806 8.098 1.00 0.00 C ATOM 412 O SER A 28 -13.804 3.872 7.845 1.00 0.00 O ATOM 413 CB SER A 28 -13.045 1.408 6.033 1.00 0.00 C ATOM 414 OG SER A 28 -13.755 0.321 6.600 1.00 0.00 O ATOM 0 H SER A 28 -11.249 0.367 7.369 1.00 0.00 H new ATOM 0 HA SER A 28 -11.701 2.976 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.742 2.079 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.354 1.039 5.275 1.00 0.00 H new ATOM 0 HG SER A 28 -13.144 -0.432 6.739 1.00 0.00 H new ATOM 420 N ASP A 29 -13.439 2.136 9.228 1.00 0.00 N ATOM 421 CA ASP A 29 -14.343 2.627 10.262 1.00 0.00 C ATOM 422 C ASP A 29 -13.644 3.647 11.156 1.00 0.00 C ATOM 423 O ASP A 29 -14.284 4.523 11.735 1.00 0.00 O ATOM 424 CB ASP A 29 -14.866 1.464 11.106 1.00 0.00 C ATOM 425 CG ASP A 29 -16.147 0.876 10.548 1.00 0.00 C ATOM 426 OD1 ASP A 29 -17.236 1.290 11.000 1.00 0.00 O ATOM 427 OD2 ASP A 29 -16.061 0.002 9.661 1.00 0.00 O ATOM 0 H ASP A 29 -12.984 1.251 9.452 1.00 0.00 H new ATOM 0 HA ASP A 29 -15.184 3.117 9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -14.105 0.686 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -15.041 1.808 12.125 1.00 0.00 H new ATOM 432 N VAL A 30 -12.323 3.525 11.264 1.00 0.00 N ATOM 433 CA VAL A 30 -11.537 4.435 12.088 1.00 0.00 C ATOM 434 C VAL A 30 -10.794 5.452 11.227 1.00 0.00 C ATOM 435 O VAL A 30 -11.239 6.590 11.069 1.00 0.00 O ATOM 436 CB VAL A 30 -10.517 3.670 12.952 1.00 0.00 C ATOM 437 CG1 VAL A 30 -9.449 4.616 13.479 1.00 0.00 C ATOM 438 CG2 VAL A 30 -11.221 2.957 14.098 1.00 0.00 C ATOM 0 H VAL A 30 -11.776 2.805 10.791 1.00 0.00 H new ATOM 0 HA VAL A 30 -12.237 4.956 12.741 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.029 2.919 12.330 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.737 4.058 14.087 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.927 5.078 12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.917 5.391 14.087 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.486 2.421 14.699 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.735 3.689 14.721 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.946 2.250 13.696 1.00 0.00 H new ATOM 448 N THR A 31 -9.661 5.035 10.672 1.00 0.00 N ATOM 449 CA THR A 31 -8.856 5.909 9.828 1.00 0.00 C ATOM 450 C THR A 31 -9.729 6.673 8.838 1.00 0.00 C ATOM 451 O THR A 31 -10.166 6.122 7.828 1.00 0.00 O ATOM 452 CB THR A 31 -7.791 5.114 9.050 1.00 0.00 C ATOM 453 OG1 THR A 31 -8.425 4.169 8.180 1.00 0.00 O ATOM 454 CG2 THR A 31 -6.856 4.385 10.002 1.00 0.00 C ATOM 0 H THR A 31 -9.280 4.097 10.792 1.00 0.00 H new ATOM 0 HA THR A 31 -8.357 6.617 10.490 1.00 0.00 H new ATOM 0 HB THR A 31 -7.205 5.817 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.248 4.558 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.113 3.831 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.354 5.109 10.644 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.431 3.692 10.617 1.00 0.00 H new ATOM 462 N ASP A 32 -9.977 7.944 9.135 1.00 0.00 N ATOM 463 CA ASP A 32 -10.796 8.785 8.268 1.00 0.00 C ATOM 464 C ASP A 32 -10.003 9.245 7.049 1.00 0.00 C ATOM 465 O ASP A 32 -9.902 10.440 6.776 1.00 0.00 O ATOM 466 CB ASP A 32 -11.315 9.997 9.042 1.00 0.00 C ATOM 467 CG ASP A 32 -12.684 10.445 8.569 1.00 0.00 C ATOM 468 OD1 ASP A 32 -12.788 11.567 8.029 1.00 0.00 O ATOM 469 OD2 ASP A 32 -13.650 9.672 8.736 1.00 0.00 O ATOM 0 H ASP A 32 -9.623 8.414 9.968 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.644 8.193 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.363 9.753 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.610 10.821 8.936 1.00 0.00 H new ATOM 474 N SER A 33 -9.441 8.285 6.319 1.00 0.00 N ATOM 475 CA SER A 33 -8.653 8.593 5.131 1.00 0.00 C ATOM 476 C SER A 33 -9.512 8.512 3.873 1.00 0.00 C ATOM 477 O SER A 33 -10.182 7.508 3.628 1.00 0.00 O ATOM 478 CB SER A 33 -7.469 7.630 5.017 1.00 0.00 C ATOM 479 OG SER A 33 -6.999 7.246 6.298 1.00 0.00 O ATOM 0 H SER A 33 -9.517 7.290 6.529 1.00 0.00 H new ATOM 0 HA SER A 33 -8.277 9.612 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.769 6.745 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.663 8.104 4.457 1.00 0.00 H new ATOM 0 HG SER A 33 -6.244 6.630 6.198 1.00 0.00 H new ATOM 485 N LYS A 34 -9.488 9.576 3.078 1.00 0.00 N ATOM 486 CA LYS A 34 -10.262 9.628 1.844 1.00 0.00 C ATOM 487 C LYS A 34 -9.350 9.819 0.637 1.00 0.00 C ATOM 488 O LYS A 34 -9.742 10.426 -0.359 1.00 0.00 O ATOM 489 CB LYS A 34 -11.286 10.763 1.908 1.00 0.00 C ATOM 490 CG LYS A 34 -10.832 11.946 2.745 1.00 0.00 C ATOM 491 CD LYS A 34 -9.749 12.746 2.041 1.00 0.00 C ATOM 492 CE LYS A 34 -9.133 13.785 2.965 1.00 0.00 C ATOM 493 NZ LYS A 34 -10.161 14.694 3.542 1.00 0.00 N ATOM 0 H LYS A 34 -8.940 10.415 3.267 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.787 8.679 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.500 11.106 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.219 10.376 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.684 12.592 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.457 11.591 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.972 12.071 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.171 13.240 1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.599 13.282 3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.398 14.372 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.693 15.503 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.786 15.037 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.724 14.178 4.248 1.00 0.00 H new ATOM 507 N ALA A 35 -8.132 9.296 0.733 1.00 0.00 N ATOM 508 CA ALA A 35 -7.165 9.406 -0.353 1.00 0.00 C ATOM 509 C ALA A 35 -6.823 8.034 -0.924 1.00 0.00 C ATOM 510 O ALA A 35 -6.568 7.894 -2.121 1.00 0.00 O ATOM 511 CB ALA A 35 -5.906 10.108 0.131 1.00 0.00 C ATOM 0 H ALA A 35 -7.791 8.792 1.552 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.615 10.000 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.193 10.183 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.160 11.108 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.462 9.537 0.946 1.00 0.00 H new ATOM 517 N LEU A 36 -6.817 7.024 -0.061 1.00 0.00 N ATOM 518 CA LEU A 36 -6.504 5.661 -0.480 1.00 0.00 C ATOM 519 C LEU A 36 -7.748 4.956 -1.011 1.00 0.00 C ATOM 520 O LEU A 36 -7.847 4.660 -2.201 1.00 0.00 O ATOM 521 CB LEU A 36 -5.914 4.870 0.689 1.00 0.00 C ATOM 522 CG LEU A 36 -4.650 5.451 1.321 1.00 0.00 C ATOM 523 CD1 LEU A 36 -4.966 6.075 2.671 1.00 0.00 C ATOM 524 CD2 LEU A 36 -3.583 4.375 1.466 1.00 0.00 C ATOM 0 H LEU A 36 -7.025 7.122 0.933 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.768 5.713 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.676 4.782 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.692 3.860 0.343 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.265 6.231 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.054 6.483 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.695 6.875 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.376 5.315 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.690 4.807 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.959 3.573 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.335 3.974 0.483 1.00 0.00 H new ATOM 536 N GLY A 37 -8.698 4.691 -0.118 1.00 0.00 N ATOM 537 CA GLY A 37 -9.924 4.024 -0.517 1.00 0.00 C ATOM 538 C GLY A 37 -10.477 3.129 0.574 1.00 0.00 C ATOM 539 O GLY A 37 -11.692 3.028 0.747 1.00 0.00 O ATOM 0 H GLY A 37 -8.640 4.926 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.671 4.772 -0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.736 3.429 -1.411 1.00 0.00 H new ATOM 543 N SER A 38 -9.584 2.476 1.311 1.00 0.00 N ATOM 544 CA SER A 38 -9.990 1.579 2.388 1.00 0.00 C ATOM 545 C SER A 38 -10.708 0.353 1.832 1.00 0.00 C ATOM 546 O SER A 38 -11.361 -0.386 2.570 1.00 0.00 O ATOM 547 CB SER A 38 -10.899 2.313 3.376 1.00 0.00 C ATOM 548 OG SER A 38 -12.263 2.169 3.018 1.00 0.00 O ATOM 0 H SER A 38 -8.575 2.551 1.182 1.00 0.00 H new ATOM 0 HA SER A 38 -9.092 1.247 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.740 1.922 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.636 3.370 3.401 1.00 0.00 H new ATOM 0 HG SER A 38 -12.446 2.691 2.209 1.00 0.00 H new ATOM 554 N LEU A 39 -10.584 0.144 0.526 1.00 0.00 N ATOM 555 CA LEU A 39 -11.221 -0.992 -0.131 1.00 0.00 C ATOM 556 C LEU A 39 -10.409 -1.448 -1.339 1.00 0.00 C ATOM 557 O LEU A 39 -10.938 -1.567 -2.444 1.00 0.00 O ATOM 558 CB LEU A 39 -12.642 -0.624 -0.565 1.00 0.00 C ATOM 559 CG LEU A 39 -13.720 -0.726 0.514 1.00 0.00 C ATOM 560 CD1 LEU A 39 -14.749 0.381 0.346 1.00 0.00 C ATOM 561 CD2 LEU A 39 -14.392 -2.092 0.469 1.00 0.00 C ATOM 0 H LEU A 39 -10.048 0.746 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.267 -1.814 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.631 0.398 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.926 -1.270 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.245 -0.608 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.509 0.293 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -14.257 1.350 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.220 0.295 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.157 -2.147 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.854 -2.238 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.647 -2.870 0.638 1.00 0.00 H new ATOM 573 N ALA A 40 -9.124 -1.702 -1.120 1.00 0.00 N ATOM 574 CA ALA A 40 -8.240 -2.149 -2.189 1.00 0.00 C ATOM 575 C ALA A 40 -7.114 -3.019 -1.643 1.00 0.00 C ATOM 576 O ALA A 40 -6.754 -2.923 -0.471 1.00 0.00 O ATOM 577 CB ALA A 40 -7.671 -0.952 -2.938 1.00 0.00 C ATOM 0 H ALA A 40 -8.671 -1.606 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.825 -2.753 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.012 -1.300 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.486 -0.372 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.106 -0.326 -2.248 1.00 0.00 H new ATOM 583 N VAL A 41 -6.560 -3.870 -2.503 1.00 0.00 N ATOM 584 CA VAL A 41 -5.473 -4.756 -2.107 1.00 0.00 C ATOM 585 C VAL A 41 -4.256 -4.571 -3.006 1.00 0.00 C ATOM 586 O VAL A 41 -4.370 -4.569 -4.231 1.00 0.00 O ATOM 587 CB VAL A 41 -5.909 -6.233 -2.150 1.00 0.00 C ATOM 588 CG1 VAL A 41 -4.834 -7.126 -1.550 1.00 0.00 C ATOM 589 CG2 VAL A 41 -7.234 -6.418 -1.426 1.00 0.00 C ATOM 0 H VAL A 41 -6.847 -3.963 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.208 -4.492 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.047 -6.523 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.160 -8.165 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.910 -7.014 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.660 -6.839 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.527 -7.467 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.126 -6.111 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.999 -5.809 -1.907 1.00 0.00 H new ATOM 599 N GLY A 42 -3.088 -4.414 -2.388 1.00 0.00 N ATOM 600 CA GLY A 42 -1.866 -4.229 -3.148 1.00 0.00 C ATOM 601 C GLY A 42 -0.636 -4.678 -2.385 1.00 0.00 C ATOM 602 O GLY A 42 -0.519 -4.436 -1.183 1.00 0.00 O ATOM 0 H GLY A 42 -2.967 -4.412 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.934 -4.787 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.762 -3.177 -3.412 1.00 0.00 H new ATOM 606 N HIS A 43 0.284 -5.336 -3.083 1.00 0.00 N ATOM 607 CA HIS A 43 1.512 -5.821 -2.463 1.00 0.00 C ATOM 608 C HIS A 43 2.651 -4.826 -2.661 1.00 0.00 C ATOM 609 O HIS A 43 3.076 -4.568 -3.788 1.00 0.00 O ATOM 610 CB HIS A 43 1.900 -7.180 -3.046 1.00 0.00 C ATOM 611 CG HIS A 43 2.231 -7.135 -4.506 1.00 0.00 C ATOM 612 ND1 HIS A 43 1.363 -7.560 -5.487 1.00 0.00 N ATOM 613 CD2 HIS A 43 3.343 -6.706 -5.148 1.00 0.00 C ATOM 614 CE1 HIS A 43 1.927 -7.399 -6.671 1.00 0.00 C ATOM 615 NE2 HIS A 43 3.129 -6.881 -6.493 1.00 0.00 N ATOM 0 H HIS A 43 0.203 -5.546 -4.078 1.00 0.00 H new ATOM 0 HA HIS A 43 1.331 -5.931 -1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.759 -7.568 -2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.080 -7.880 -2.890 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.233 -6.302 -4.688 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.481 -7.648 -7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.790 -6.649 -7.234 1.00 0.00 H new ATOM 623 N LEU A 44 3.142 -4.269 -1.559 1.00 0.00 N ATOM 624 CA LEU A 44 4.232 -3.301 -1.612 1.00 0.00 C ATOM 625 C LEU A 44 5.251 -3.685 -2.679 1.00 0.00 C ATOM 626 O LEU A 44 5.680 -4.837 -2.759 1.00 0.00 O ATOM 627 CB LEU A 44 4.918 -3.201 -0.249 1.00 0.00 C ATOM 628 CG LEU A 44 5.486 -1.829 0.118 1.00 0.00 C ATOM 629 CD1 LEU A 44 4.403 -0.763 0.036 1.00 0.00 C ATOM 630 CD2 LEU A 44 6.100 -1.860 1.510 1.00 0.00 C ATOM 0 H LEU A 44 2.803 -4.471 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 44 3.810 -2.330 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.201 -3.492 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.730 -3.928 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 44 6.269 -1.579 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.826 0.206 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.009 -0.722 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.598 -1.009 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.499 -0.875 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.336 -2.133 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.905 -2.594 1.536 1.00 0.00 H new ATOM 642 N THR A 45 5.638 -2.712 -3.499 1.00 0.00 N ATOM 643 CA THR A 45 6.607 -2.948 -4.561 1.00 0.00 C ATOM 644 C THR A 45 8.021 -3.060 -4.001 1.00 0.00 C ATOM 645 O THR A 45 8.986 -3.213 -4.749 1.00 0.00 O ATOM 646 CB THR A 45 6.571 -1.824 -5.615 1.00 0.00 C ATOM 647 OG1 THR A 45 7.656 -0.916 -5.399 1.00 0.00 O ATOM 648 CG2 THR A 45 5.252 -1.071 -5.556 1.00 0.00 C ATOM 0 H THR A 45 5.294 -1.753 -3.447 1.00 0.00 H new ATOM 0 HA THR A 45 6.332 -3.890 -5.036 1.00 0.00 H new ATOM 0 HB THR A 45 6.669 -2.277 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.627 -0.206 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.249 -0.283 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.430 -1.761 -5.750 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.129 -0.629 -4.567 1.00 0.00 H new ATOM 656 N LYS A 46 8.136 -2.983 -2.680 1.00 0.00 N ATOM 657 CA LYS A 46 9.432 -3.076 -2.017 1.00 0.00 C ATOM 658 C LYS A 46 9.722 -4.512 -1.592 1.00 0.00 C ATOM 659 O LYS A 46 10.819 -5.025 -1.814 1.00 0.00 O ATOM 660 CB LYS A 46 9.471 -2.153 -0.798 1.00 0.00 C ATOM 661 CG LYS A 46 9.811 -0.711 -1.136 1.00 0.00 C ATOM 662 CD LYS A 46 11.173 -0.316 -0.590 1.00 0.00 C ATOM 663 CE LYS A 46 11.045 0.526 0.670 1.00 0.00 C ATOM 664 NZ LYS A 46 10.386 1.833 0.400 1.00 0.00 N ATOM 0 H LYS A 46 7.347 -2.856 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 46 10.199 -2.763 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.502 -2.182 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.205 -2.534 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.799 -0.577 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.048 -0.050 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.753 -1.213 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.722 0.243 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.471 -0.023 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.035 0.699 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.719 2.538 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.623 2.149 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.355 1.726 0.485 1.00 0.00 H new ATOM 678 N CYS A 47 8.733 -5.154 -0.981 1.00 0.00 N ATOM 679 CA CYS A 47 8.882 -6.532 -0.525 1.00 0.00 C ATOM 680 C CYS A 47 7.932 -7.459 -1.278 1.00 0.00 C ATOM 681 O CYS A 47 8.105 -8.678 -1.273 1.00 0.00 O ATOM 682 CB CYS A 47 8.618 -6.624 0.979 1.00 0.00 C ATOM 683 SG CYS A 47 7.050 -5.860 1.507 1.00 0.00 S ATOM 0 H CYS A 47 7.819 -4.743 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 47 9.905 -6.848 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.616 -7.674 1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.440 -6.146 1.511 1.00 0.00 H new ATOM 688 N SER A 48 6.929 -6.873 -1.924 1.00 0.00 N ATOM 689 CA SER A 48 5.949 -7.647 -2.677 1.00 0.00 C ATOM 690 C SER A 48 5.231 -8.643 -1.772 1.00 0.00 C ATOM 691 O SER A 48 5.471 -9.849 -1.844 1.00 0.00 O ATOM 692 CB SER A 48 6.631 -8.387 -3.830 1.00 0.00 C ATOM 693 OG SER A 48 8.041 -8.305 -3.726 1.00 0.00 O ATOM 0 H SER A 48 6.774 -5.865 -1.941 1.00 0.00 H new ATOM 0 HA SER A 48 5.211 -6.956 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.323 -9.433 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.308 -7.962 -4.780 1.00 0.00 H new ATOM 0 HG SER A 48 8.356 -8.937 -3.046 1.00 0.00 H new ATOM 699 N HIS A 49 4.348 -8.131 -0.921 1.00 0.00 N ATOM 700 CA HIS A 49 3.593 -8.975 -0.002 1.00 0.00 C ATOM 701 C HIS A 49 2.098 -8.890 -0.291 1.00 0.00 C ATOM 702 O HIS A 49 1.598 -9.520 -1.222 1.00 0.00 O ATOM 703 CB HIS A 49 3.870 -8.564 1.444 1.00 0.00 C ATOM 704 CG HIS A 49 5.253 -8.903 1.909 1.00 0.00 C ATOM 705 ND1 HIS A 49 5.598 -8.994 3.241 1.00 0.00 N ATOM 706 CD2 HIS A 49 6.380 -9.174 1.210 1.00 0.00 C ATOM 707 CE1 HIS A 49 6.878 -9.306 3.341 1.00 0.00 C ATOM 708 NE2 HIS A 49 7.376 -9.420 2.123 1.00 0.00 N ATOM 0 H HIS A 49 4.138 -7.136 -0.849 1.00 0.00 H new ATOM 0 HA HIS A 49 3.914 -10.007 -0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.715 -7.490 1.544 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.146 -9.052 2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.478 -9.193 0.135 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.424 -9.444 4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.343 -9.653 1.897 1.00 0.00 H new ATOM 716 N ALA A 50 1.388 -8.108 0.516 1.00 0.00 N ATOM 717 CA ALA A 50 -0.050 -7.940 0.347 1.00 0.00 C ATOM 718 C ALA A 50 -0.702 -7.454 1.637 1.00 0.00 C ATOM 719 O ALA A 50 -0.468 -8.010 2.710 1.00 0.00 O ATOM 720 CB ALA A 50 -0.684 -9.246 -0.108 1.00 0.00 C ATOM 0 H ALA A 50 1.786 -7.581 1.293 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.214 -7.183 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.758 -9.106 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.247 -9.551 -1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.502 -10.019 0.639 1.00 0.00 H new ATOM 726 N PHE A 51 -1.520 -6.411 1.524 1.00 0.00 N ATOM 727 CA PHE A 51 -2.204 -5.850 2.683 1.00 0.00 C ATOM 728 C PHE A 51 -3.128 -4.709 2.267 1.00 0.00 C ATOM 729 O PHE A 51 -3.090 -4.247 1.127 1.00 0.00 O ATOM 730 CB PHE A 51 -1.186 -5.348 3.710 1.00 0.00 C ATOM 731 CG PHE A 51 0.233 -5.393 3.218 1.00 0.00 C ATOM 732 CD1 PHE A 51 1.129 -6.318 3.731 1.00 0.00 C ATOM 733 CD2 PHE A 51 0.671 -4.510 2.244 1.00 0.00 C ATOM 734 CE1 PHE A 51 2.434 -6.362 3.281 1.00 0.00 C ATOM 735 CE2 PHE A 51 1.976 -4.550 1.790 1.00 0.00 C ATOM 736 CZ PHE A 51 2.859 -5.476 2.309 1.00 0.00 C ATOM 0 H PHE A 51 -1.724 -5.939 0.643 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.807 -6.638 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.435 -4.323 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.268 -5.950 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.803 -7.012 4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.015 -3.783 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.122 -7.088 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.305 -3.857 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.879 -5.508 1.956 1.00 0.00 H new ATOM 746 N HIS A 52 -3.959 -4.258 3.202 1.00 0.00 N ATOM 747 CA HIS A 52 -4.894 -3.171 2.934 1.00 0.00 C ATOM 748 C HIS A 52 -4.167 -1.830 2.882 1.00 0.00 C ATOM 749 O HIS A 52 -3.834 -1.252 3.917 1.00 0.00 O ATOM 750 CB HIS A 52 -5.985 -3.132 4.006 1.00 0.00 C ATOM 751 CG HIS A 52 -7.008 -4.216 3.857 1.00 0.00 C ATOM 752 ND1 HIS A 52 -7.650 -4.795 4.931 1.00 0.00 N ATOM 753 CD2 HIS A 52 -7.501 -4.824 2.753 1.00 0.00 C ATOM 754 CE1 HIS A 52 -8.493 -5.714 4.493 1.00 0.00 C ATOM 755 NE2 HIS A 52 -8.421 -5.751 3.175 1.00 0.00 N ATOM 0 H HIS A 52 -4.004 -4.628 4.151 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.356 -3.352 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -5.521 -3.214 4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.485 -2.164 3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.222 -4.618 1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.132 -6.330 5.108 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.961 -6.368 2.569 1.00 0.00 H new ATOM 763 N LEU A 53 -3.925 -1.341 1.671 1.00 0.00 N ATOM 764 CA LEU A 53 -3.237 -0.068 1.484 1.00 0.00 C ATOM 765 C LEU A 53 -3.630 0.929 2.570 1.00 0.00 C ATOM 766 O LEU A 53 -2.772 1.561 3.188 1.00 0.00 O ATOM 767 CB LEU A 53 -3.559 0.510 0.104 1.00 0.00 C ATOM 768 CG LEU A 53 -3.217 -0.378 -1.092 1.00 0.00 C ATOM 769 CD1 LEU A 53 -4.199 -0.146 -2.228 1.00 0.00 C ATOM 770 CD2 LEU A 53 -1.790 -0.122 -1.556 1.00 0.00 C ATOM 0 H LEU A 53 -4.195 -1.806 0.804 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.164 -0.249 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.624 0.739 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.026 1.454 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.295 -1.420 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.939 -0.787 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.208 -0.382 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.155 0.898 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.564 -0.763 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.685 0.922 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.098 -0.342 -0.743 1.00 0.00 H new ATOM 782 N LEU A 54 -4.932 1.063 2.798 1.00 0.00 N ATOM 783 CA LEU A 54 -5.440 1.981 3.811 1.00 0.00 C ATOM 784 C LEU A 54 -4.847 1.663 5.181 1.00 0.00 C ATOM 785 O LEU A 54 -4.033 2.422 5.708 1.00 0.00 O ATOM 786 CB LEU A 54 -6.967 1.908 3.875 1.00 0.00 C ATOM 787 CG LEU A 54 -7.632 2.724 4.985 1.00 0.00 C ATOM 788 CD1 LEU A 54 -7.521 2.002 6.318 1.00 0.00 C ATOM 789 CD2 LEU A 54 -7.011 4.111 5.072 1.00 0.00 C ATOM 0 H LEU A 54 -5.655 0.548 2.295 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.142 2.992 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.367 2.241 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.256 0.864 3.996 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.689 2.836 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.000 2.598 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.014 1.032 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.470 1.858 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.496 4.678 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.947 4.020 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.145 4.630 4.123 1.00 0.00 H new ATOM 801 N CYS A 55 -5.259 0.536 5.750 1.00 0.00 N ATOM 802 CA CYS A 55 -4.768 0.116 7.058 1.00 0.00 C ATOM 803 C CYS A 55 -3.301 0.496 7.235 1.00 0.00 C ATOM 804 O CYS A 55 -2.909 1.033 8.273 1.00 0.00 O ATOM 805 CB CYS A 55 -4.938 -1.395 7.228 1.00 0.00 C ATOM 806 SG CYS A 55 -6.656 -1.921 7.530 1.00 0.00 S ATOM 0 H CYS A 55 -5.932 -0.103 5.327 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.353 0.629 7.821 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.569 -1.894 6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.316 -1.729 8.059 1.00 0.00 H new ATOM 811 N LEU A 56 -2.495 0.216 6.217 1.00 0.00 N ATOM 812 CA LEU A 56 -1.070 0.529 6.260 1.00 0.00 C ATOM 813 C LEU A 56 -0.848 2.028 6.433 1.00 0.00 C ATOM 814 O LEU A 56 -0.181 2.464 7.372 1.00 0.00 O ATOM 815 CB LEU A 56 -0.383 0.042 4.984 1.00 0.00 C ATOM 816 CG LEU A 56 -0.671 -1.402 4.576 1.00 0.00 C ATOM 817 CD1 LEU A 56 0.418 -1.923 3.649 1.00 0.00 C ATOM 818 CD2 LEU A 56 -0.795 -2.290 5.805 1.00 0.00 C ATOM 0 H LEU A 56 -2.803 -0.227 5.352 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.635 0.015 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.679 0.696 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.694 0.155 5.109 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.619 -1.424 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.196 -2.953 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.460 -1.304 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.380 -1.886 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.000 -3.314 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.137 -2.262 6.370 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.611 -1.931 6.433 1.00 0.00 H new ATOM 830 N LEU A 57 -1.410 2.813 5.521 1.00 0.00 N ATOM 831 CA LEU A 57 -1.275 4.265 5.572 1.00 0.00 C ATOM 832 C LEU A 57 -1.525 4.785 6.984 1.00 0.00 C ATOM 833 O LEU A 57 -1.105 5.888 7.332 1.00 0.00 O ATOM 834 CB LEU A 57 -2.250 4.922 4.593 1.00 0.00 C ATOM 835 CG LEU A 57 -2.142 6.441 4.457 1.00 0.00 C ATOM 836 CD1 LEU A 57 -2.949 7.133 5.546 1.00 0.00 C ATOM 837 CD2 LEU A 57 -0.686 6.879 4.510 1.00 0.00 C ATOM 0 H LEU A 57 -1.964 2.469 4.737 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.255 4.522 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.100 4.478 3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.266 4.676 4.903 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.552 6.730 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.860 8.214 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.997 6.844 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.569 6.838 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.628 7.963 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.250 6.577 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.135 6.411 3.694 1.00 0.00 H new ATOM 849 N ALA A 58 -2.210 3.983 7.792 1.00 0.00 N ATOM 850 CA ALA A 58 -2.512 4.361 9.167 1.00 0.00 C ATOM 851 C ALA A 58 -1.277 4.238 10.053 1.00 0.00 C ATOM 852 O ALA A 58 -0.758 5.236 10.553 1.00 0.00 O ATOM 853 CB ALA A 58 -3.644 3.503 9.714 1.00 0.00 C ATOM 0 H ALA A 58 -2.566 3.067 7.518 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.828 5.404 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.859 3.796 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.535 3.644 9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.350 2.454 9.690 1.00 0.00 H new ATOM 859 N MET A 59 -0.812 3.007 10.246 1.00 0.00 N ATOM 860 CA MET A 59 0.363 2.755 11.072 1.00 0.00 C ATOM 861 C MET A 59 1.640 3.147 10.337 1.00 0.00 C ATOM 862 O MET A 59 2.725 3.156 10.917 1.00 0.00 O ATOM 863 CB MET A 59 0.424 1.280 11.473 1.00 0.00 C ATOM 864 CG MET A 59 0.136 0.326 10.325 1.00 0.00 C ATOM 865 SD MET A 59 1.161 -1.157 10.381 1.00 0.00 S ATOM 866 CE MET A 59 2.618 -0.593 9.504 1.00 0.00 C ATOM 0 H MET A 59 -1.231 2.170 9.842 1.00 0.00 H new ATOM 0 HA MET A 59 0.281 3.366 11.971 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.413 1.062 11.876 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.294 1.100 12.273 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.915 0.038 10.352 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.301 0.842 9.379 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.471 -1.215 9.777 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.447 -0.664 8.430 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.824 0.444 9.770 1.00 0.00 H new ATOM 876 N TYR A 60 1.503 3.470 9.055 1.00 0.00 N ATOM 877 CA TYR A 60 2.646 3.861 8.239 1.00 0.00 C ATOM 878 C TYR A 60 3.366 5.061 8.847 1.00 0.00 C ATOM 879 O TYR A 60 4.558 5.267 8.619 1.00 0.00 O ATOM 880 CB TYR A 60 2.196 4.190 6.815 1.00 0.00 C ATOM 881 CG TYR A 60 2.600 5.571 6.355 1.00 0.00 C ATOM 882 CD1 TYR A 60 2.007 6.706 6.895 1.00 0.00 C ATOM 883 CD2 TYR A 60 3.576 5.743 5.381 1.00 0.00 C ATOM 884 CE1 TYR A 60 2.373 7.972 6.478 1.00 0.00 C ATOM 885 CE2 TYR A 60 3.950 7.004 4.959 1.00 0.00 C ATOM 886 CZ TYR A 60 3.345 8.115 5.510 1.00 0.00 C ATOM 887 OH TYR A 60 3.713 9.373 5.091 1.00 0.00 O ATOM 0 H TYR A 60 0.612 3.469 8.559 1.00 0.00 H new ATOM 0 HA TYR A 60 3.340 3.021 8.208 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.615 3.452 6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.111 4.100 6.756 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.247 6.597 7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.050 4.876 4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.901 8.843 6.907 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.712 7.120 4.202 1.00 0.00 H new ATOM 0 HH TYR A 60 4.410 9.299 4.406 1.00 0.00 H new ATOM 897 N CYS A 61 2.630 5.851 9.623 1.00 0.00 N ATOM 898 CA CYS A 61 3.196 7.032 10.264 1.00 0.00 C ATOM 899 C CYS A 61 4.332 6.648 11.208 1.00 0.00 C ATOM 900 O CYS A 61 5.048 7.510 11.717 1.00 0.00 O ATOM 901 CB CYS A 61 2.112 7.789 11.034 1.00 0.00 C ATOM 902 SG CYS A 61 2.368 7.829 12.823 1.00 0.00 S ATOM 0 H CYS A 61 1.642 5.695 9.823 1.00 0.00 H new ATOM 0 HA CYS A 61 3.598 7.679 9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.065 8.812 10.662 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.146 7.329 10.826 1.00 0.00 H new ATOM 0 HG CYS A 61 3.631 8.004 13.077 1.00 0.00 H new ATOM 908 N ASN A 62 4.489 5.349 11.438 1.00 0.00 N ATOM 909 CA ASN A 62 5.536 4.850 12.322 1.00 0.00 C ATOM 910 C ASN A 62 6.832 4.618 11.552 1.00 0.00 C ATOM 911 O ASN A 62 7.885 5.139 11.918 1.00 0.00 O ATOM 912 CB ASN A 62 5.089 3.549 12.994 1.00 0.00 C ATOM 913 CG ASN A 62 5.268 3.586 14.499 1.00 0.00 C ATOM 914 OD1 ASN A 62 6.135 2.906 15.048 1.00 0.00 O ATOM 915 ND2 ASN A 62 4.446 4.381 15.174 1.00 0.00 N ATOM 0 H ASN A 62 3.905 4.622 11.025 1.00 0.00 H new ATOM 0 HA ASN A 62 5.719 5.603 13.089 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.041 3.364 12.760 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.660 2.716 12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.519 4.446 16.189 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.742 4.927 14.677 1.00 0.00 H new ATOM 922 N GLY A 63 6.748 3.833 10.483 1.00 0.00 N ATOM 923 CA GLY A 63 7.921 3.545 9.679 1.00 0.00 C ATOM 924 C GLY A 63 7.651 3.674 8.193 1.00 0.00 C ATOM 925 O GLY A 63 6.591 4.150 7.788 1.00 0.00 O ATOM 0 H GLY A 63 5.888 3.391 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.726 4.225 9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.267 2.534 9.896 1.00 0.00 H new ATOM 929 N ASN A 64 8.613 3.251 7.379 1.00 0.00 N ATOM 930 CA ASN A 64 8.474 3.324 5.929 1.00 0.00 C ATOM 931 C ASN A 64 8.522 4.772 5.450 1.00 0.00 C ATOM 932 O ASN A 64 9.481 5.191 4.801 1.00 0.00 O ATOM 933 CB ASN A 64 7.162 2.673 5.488 1.00 0.00 C ATOM 934 CG ASN A 64 7.201 2.211 4.044 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.282 3.025 3.123 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.145 0.900 3.840 1.00 0.00 N ATOM 0 H ASN A 64 9.497 2.854 7.699 1.00 0.00 H new ATOM 0 HA ASN A 64 9.308 2.784 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.948 1.821 6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.346 3.384 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.169 0.530 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.078 0.263 4.634 1.00 0.00 H new ATOM 943 N LYS A 65 7.482 5.531 5.774 1.00 0.00 N ATOM 944 CA LYS A 65 7.405 6.933 5.379 1.00 0.00 C ATOM 945 C LYS A 65 8.052 7.151 4.017 1.00 0.00 C ATOM 946 O LYS A 65 9.238 7.471 3.925 1.00 0.00 O ATOM 947 CB LYS A 65 8.086 7.817 6.427 1.00 0.00 C ATOM 948 CG LYS A 65 7.249 8.037 7.674 1.00 0.00 C ATOM 949 CD LYS A 65 6.099 8.994 7.413 1.00 0.00 C ATOM 950 CE LYS A 65 6.408 10.392 7.926 1.00 0.00 C ATOM 951 NZ LYS A 65 5.511 11.415 7.321 1.00 0.00 N ATOM 0 H LYS A 65 6.680 5.199 6.309 1.00 0.00 H new ATOM 0 HA LYS A 65 6.352 7.208 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.035 7.363 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.317 8.784 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.856 7.082 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.879 8.433 8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.895 9.035 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.196 8.620 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.303 10.412 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.445 10.640 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.753 12.354 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.630 11.413 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.523 11.193 7.556 1.00 0.00 H new ATOM 965 N ASP A 66 7.267 6.977 2.959 1.00 0.00 N ATOM 966 CA ASP A 66 7.763 7.158 1.600 1.00 0.00 C ATOM 967 C ASP A 66 6.610 7.364 0.623 1.00 0.00 C ATOM 968 O ASP A 66 6.460 6.617 -0.343 1.00 0.00 O ATOM 969 CB ASP A 66 8.598 5.949 1.174 1.00 0.00 C ATOM 970 CG ASP A 66 10.021 6.014 1.694 1.00 0.00 C ATOM 971 OD1 ASP A 66 10.476 5.024 2.303 1.00 0.00 O ATOM 972 OD2 ASP A 66 10.678 7.057 1.491 1.00 0.00 O ATOM 0 H ASP A 66 6.284 6.711 3.017 1.00 0.00 H new ATOM 0 HA ASP A 66 8.392 8.048 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.123 5.037 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.615 5.888 0.086 1.00 0.00 H new ATOM 977 N GLY A 67 5.797 8.384 0.882 1.00 0.00 N ATOM 978 CA GLY A 67 4.666 8.670 0.018 1.00 0.00 C ATOM 979 C GLY A 67 3.894 7.422 -0.359 1.00 0.00 C ATOM 980 O GLY A 67 3.640 7.174 -1.539 1.00 0.00 O ATOM 0 H GLY A 67 5.901 9.017 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.997 9.369 0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.020 9.162 -0.888 1.00 0.00 H new ATOM 984 N SER A 68 3.523 6.632 0.643 1.00 0.00 N ATOM 985 CA SER A 68 2.780 5.399 0.409 1.00 0.00 C ATOM 986 C SER A 68 2.234 4.838 1.718 1.00 0.00 C ATOM 987 O SER A 68 1.189 5.272 2.206 1.00 0.00 O ATOM 988 CB SER A 68 3.674 4.361 -0.270 1.00 0.00 C ATOM 989 OG SER A 68 3.992 4.751 -1.595 1.00 0.00 O ATOM 0 H SER A 68 3.725 6.823 1.624 1.00 0.00 H new ATOM 0 HA SER A 68 1.940 5.629 -0.247 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.591 4.234 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.170 3.395 -0.283 1.00 0.00 H new ATOM 0 HG SER A 68 3.372 5.452 -1.887 1.00 0.00 H new ATOM 995 N LEU A 69 2.948 3.870 2.283 1.00 0.00 N ATOM 996 CA LEU A 69 2.537 3.248 3.537 1.00 0.00 C ATOM 997 C LEU A 69 3.619 2.309 4.059 1.00 0.00 C ATOM 998 O LEU A 69 4.714 2.238 3.502 1.00 0.00 O ATOM 999 CB LEU A 69 1.229 2.478 3.342 1.00 0.00 C ATOM 1000 CG LEU A 69 1.177 1.538 2.137 1.00 0.00 C ATOM 1001 CD1 LEU A 69 0.663 2.273 0.909 1.00 0.00 C ATOM 1002 CD2 LEU A 69 2.550 0.939 1.867 1.00 0.00 C ATOM 0 H LEU A 69 3.814 3.499 1.893 1.00 0.00 H new ATOM 0 HA LEU A 69 2.381 4.038 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.037 1.894 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.416 3.199 3.251 1.00 0.00 H new ATOM 0 HG LEU A 69 0.487 0.725 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.633 1.588 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.340 2.652 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.327 3.106 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.493 0.273 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.262 1.739 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.880 0.376 2.740 1.00 0.00 H new ATOM 1014 N GLN A 70 3.305 1.591 5.133 1.00 0.00 N ATOM 1015 CA GLN A 70 4.251 0.656 5.729 1.00 0.00 C ATOM 1016 C GLN A 70 3.744 -0.779 5.617 1.00 0.00 C ATOM 1017 O GLN A 70 2.545 -1.014 5.466 1.00 0.00 O ATOM 1018 CB GLN A 70 4.493 1.009 7.198 1.00 0.00 C ATOM 1019 CG GLN A 70 5.314 -0.028 7.946 1.00 0.00 C ATOM 1020 CD GLN A 70 6.750 -0.093 7.465 1.00 0.00 C ATOM 1021 OE1 GLN A 70 7.015 -0.383 6.298 1.00 0.00 O ATOM 1022 NE2 GLN A 70 7.689 0.176 8.365 1.00 0.00 N ATOM 0 H GLN A 70 2.403 1.639 5.607 1.00 0.00 H new ATOM 0 HA GLN A 70 5.191 0.734 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.002 1.971 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.532 1.128 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.302 0.204 9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.850 -1.007 7.827 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.426 0.412 9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.673 0.147 8.099 1.00 0.00 H new ATOM 1031 N CYS A 71 4.664 -1.734 5.690 1.00 0.00 N ATOM 1032 CA CYS A 71 4.312 -3.145 5.595 1.00 0.00 C ATOM 1033 C CYS A 71 4.210 -3.775 6.982 1.00 0.00 C ATOM 1034 O CYS A 71 5.201 -3.934 7.693 1.00 0.00 O ATOM 1035 CB CYS A 71 5.348 -3.896 4.758 1.00 0.00 C ATOM 1036 SG CYS A 71 5.067 -5.694 4.663 1.00 0.00 S ATOM 0 H CYS A 71 5.661 -1.556 5.815 1.00 0.00 H new ATOM 0 HA CYS A 71 3.339 -3.218 5.109 1.00 0.00 H new ATOM 0 HB2 CYS A 71 5.350 -3.486 3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 71 6.338 -3.716 5.177 1.00 0.00 H new ATOM 1041 N PRO A 72 2.981 -4.142 7.375 1.00 0.00 N ATOM 1042 CA PRO A 72 2.720 -4.759 8.678 1.00 0.00 C ATOM 1043 C PRO A 72 3.278 -6.175 8.771 1.00 0.00 C ATOM 1044 O PRO A 72 3.086 -6.865 9.772 1.00 0.00 O ATOM 1045 CB PRO A 72 1.191 -4.781 8.760 1.00 0.00 C ATOM 1046 CG PRO A 72 0.735 -4.783 7.341 1.00 0.00 C ATOM 1047 CD PRO A 72 1.753 -3.981 6.579 1.00 0.00 C ATOM 0 HA PRO A 72 3.197 -4.211 9.491 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.836 -5.664 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.811 -3.912 9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.669 -5.800 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.258 -4.342 7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.881 -4.355 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.461 -2.934 6.498 1.00 0.00 H new ATOM 1055 N SER A 73 3.972 -6.603 7.720 1.00 0.00 N ATOM 1056 CA SER A 73 4.556 -7.939 7.682 1.00 0.00 C ATOM 1057 C SER A 73 6.047 -7.889 8.001 1.00 0.00 C ATOM 1058 O SER A 73 6.478 -8.306 9.077 1.00 0.00 O ATOM 1059 CB SER A 73 4.337 -8.575 6.308 1.00 0.00 C ATOM 1060 OG SER A 73 5.549 -9.093 5.788 1.00 0.00 O ATOM 0 H SER A 73 4.143 -6.044 6.884 1.00 0.00 H new ATOM 0 HA SER A 73 4.061 -8.547 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.600 -9.374 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.930 -7.833 5.621 1.00 0.00 H new ATOM 0 HG SER A 73 5.381 -9.504 4.915 1.00 0.00 H new ATOM 1066 N CYS A 74 6.829 -7.376 7.059 1.00 0.00 N ATOM 1067 CA CYS A 74 8.273 -7.271 7.237 1.00 0.00 C ATOM 1068 C CYS A 74 8.701 -5.812 7.364 1.00 0.00 C ATOM 1069 O CYS A 74 9.811 -5.443 6.979 1.00 0.00 O ATOM 1070 CB CYS A 74 9.002 -7.928 6.063 1.00 0.00 C ATOM 1071 SG CYS A 74 8.846 -7.021 4.490 1.00 0.00 S ATOM 0 H CYS A 74 6.488 -7.026 6.164 1.00 0.00 H new ATOM 0 HA CYS A 74 8.539 -7.791 8.158 1.00 0.00 H new ATOM 0 HB2 CYS A 74 10.059 -8.023 6.312 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.615 -8.938 5.928 1.00 0.00 H new ATOM 1076 N LYS A 75 7.812 -4.985 7.906 1.00 0.00 N ATOM 1077 CA LYS A 75 8.096 -3.567 8.086 1.00 0.00 C ATOM 1078 C LYS A 75 8.980 -3.042 6.959 1.00 0.00 C ATOM 1079 O LYS A 75 9.825 -2.171 7.172 1.00 0.00 O ATOM 1080 CB LYS A 75 8.777 -3.329 9.436 1.00 0.00 C ATOM 1081 CG LYS A 75 7.803 -3.177 10.590 1.00 0.00 C ATOM 1082 CD LYS A 75 7.136 -4.498 10.936 1.00 0.00 C ATOM 1083 CE LYS A 75 6.880 -4.618 12.431 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.112 -4.993 13.177 1.00 0.00 N ATOM 0 H LYS A 75 6.888 -5.274 8.228 1.00 0.00 H new ATOM 0 HA LYS A 75 7.150 -3.027 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.449 -4.161 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.392 -2.431 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.330 -2.795 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.042 -2.441 10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.193 -4.583 10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.767 -5.323 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.500 -3.670 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.107 -5.366 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.895 -5.064 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.461 -5.910 12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.842 -4.267 13.029 1.00 0.00 H new ATOM 1098 N THR A 76 8.779 -3.575 5.757 1.00 0.00 N ATOM 1099 CA THR A 76 9.557 -3.159 4.597 1.00 0.00 C ATOM 1100 C THR A 76 9.238 -1.721 4.207 1.00 0.00 C ATOM 1101 O THR A 76 8.094 -1.296 4.361 1.00 0.00 O ATOM 1102 CB THR A 76 9.296 -4.078 3.388 1.00 0.00 C ATOM 1103 OG1 THR A 76 10.386 -4.992 3.222 1.00 0.00 O ATOM 1104 CG2 THR A 76 9.115 -3.261 2.118 1.00 0.00 C ATOM 0 H THR A 76 8.084 -4.296 5.562 1.00 0.00 H new ATOM 0 HA THR A 76 10.608 -3.230 4.879 1.00 0.00 H new ATOM 0 HB THR A 76 8.380 -4.637 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.130 -5.873 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.932 -3.931 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.266 -2.587 2.237 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.017 -2.679 1.928 1.00 0.00 H new TER 1112 THR A 76 HETATM 1113 ZN ZN A 201 -7.099 -4.162 7.103 1.00 0.00 ZN HETATM 1114 ZN ZN A 202 6.710 -6.928 3.589 1.00 0.00 ZN