USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 579 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 17 CYS SG : rot -130:sc= 1.41 USER MOD Set 1.2: A 65 SER OG : rot 130:sc= 1.5 USER MOD Set 1.3: A 69 TYR OH : rot -110:sc= 1.49 USER MOD Set 2.1: A 51 SER OG : rot 180:sc= 0.729 USER MOD Set 2.2: A 53 THR OG1 : rot 114:sc= 0.805 USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= -1.34 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 169:sc= 0.379 (180deg=0.174) USER MOD Set 4.1: A 3 SER OG : rot -135:sc= 0.604 USER MOD Set 4.2: A 47 TYR OH : rot 166:sc= 0.701 USER MOD Single : A 1 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.014) USER MOD Single : A 1 ASN N :NH3+ -114:sc= 0 (180deg=-0.0444) USER MOD Single : A 4 THR OG1 : rot 31:sc= 0.714 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 173:sc= -0.0735 (180deg=-0.106) USER MOD Single : A 13 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.39) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : A 23 SER OG : rot 87:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.0189 USER MOD Single : A 26 SER OG : rot -39:sc= 0.951 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 65:sc= 1.24 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -70:sc= 1.2 USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= 1.31 (180deg=0.739) USER MOD Single : A 72 SER OG : rot 68:sc= 0.674 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 31:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.550 -13.466 -5.546 1.00 0.00 N ATOM 2 CA ASN A 1 -13.585 -12.130 -6.168 1.00 0.00 C ATOM 3 C ASN A 1 -12.607 -11.169 -5.458 1.00 0.00 C ATOM 4 O ASN A 1 -12.957 -10.101 -4.954 1.00 0.00 O ATOM 5 CB ASN A 1 -15.012 -11.560 -6.338 1.00 0.00 C ATOM 6 CG ASN A 1 -15.945 -12.440 -7.167 1.00 0.00 C ATOM 7 OD1 ASN A 1 -17.107 -12.622 -6.841 1.00 0.00 O ATOM 8 ND2 ASN A 1 -15.489 -13.000 -8.274 1.00 0.00 N ATOM 0 H1 ASN A 1 -13.165 -14.154 -6.224 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.947 -13.439 -4.699 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.514 -13.749 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.232 -12.243 -7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -15.452 -11.413 -5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.945 -10.578 -6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -16.106 -13.577 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -14.520 -12.855 -8.557 1.00 0.00 H new ATOM 15 N ASP A 2 -11.360 -11.619 -5.357 1.00 0.00 N ATOM 16 CA ASP A 2 -10.191 -10.845 -4.971 1.00 0.00 C ATOM 17 C ASP A 2 -9.929 -9.719 -5.990 1.00 0.00 C ATOM 18 O ASP A 2 -9.859 -9.930 -7.197 1.00 0.00 O ATOM 19 CB ASP A 2 -8.976 -11.779 -4.770 1.00 0.00 C ATOM 20 CG ASP A 2 -8.851 -12.955 -5.763 1.00 0.00 C ATOM 21 OD1 ASP A 2 -9.811 -13.768 -5.820 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.781 -13.075 -6.399 1.00 0.00 O ATOM 0 H ASP A 2 -11.128 -12.592 -5.555 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.374 -10.357 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.068 -11.179 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.020 -12.186 -3.760 1.00 0.00 H new ATOM 27 N SER A 3 -9.827 -8.499 -5.474 1.00 0.00 N ATOM 28 CA SER A 3 -9.466 -7.279 -6.190 1.00 0.00 C ATOM 29 C SER A 3 -7.957 -6.995 -6.070 1.00 0.00 C ATOM 30 O SER A 3 -7.202 -7.716 -5.412 1.00 0.00 O ATOM 31 CB SER A 3 -10.295 -6.112 -5.613 1.00 0.00 C ATOM 32 OG SER A 3 -10.129 -4.899 -6.329 1.00 0.00 O ATOM 0 H SER A 3 -10.005 -8.324 -4.485 1.00 0.00 H new ATOM 0 HA SER A 3 -9.686 -7.397 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.350 -6.387 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.012 -5.954 -4.572 1.00 0.00 H new ATOM 0 HG SER A 3 -10.006 -4.160 -5.697 1.00 0.00 H new ATOM 38 N THR A 4 -7.507 -5.897 -6.681 1.00 0.00 N ATOM 39 CA THR A 4 -6.112 -5.443 -6.689 1.00 0.00 C ATOM 40 C THR A 4 -6.044 -3.958 -7.006 1.00 0.00 C ATOM 41 O THR A 4 -6.837 -3.429 -7.779 1.00 0.00 O ATOM 42 CB THR A 4 -5.276 -6.299 -7.651 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.001 -7.502 -6.996 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.912 -5.723 -8.041 1.00 0.00 C ATOM 0 H THR A 4 -8.125 -5.276 -7.203 1.00 0.00 H new ATOM 0 HA THR A 4 -5.680 -5.574 -5.697 1.00 0.00 H new ATOM 0 HB THR A 4 -5.866 -6.378 -8.564 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.737 -7.718 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.409 -6.409 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.051 -4.760 -8.533 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.304 -5.589 -7.146 1.00 0.00 H new ATOM 52 N ALA A 5 -5.066 -3.294 -6.395 1.00 0.00 N ATOM 53 CA ALA A 5 -4.742 -1.889 -6.578 1.00 0.00 C ATOM 54 C ALA A 5 -3.235 -1.643 -6.408 1.00 0.00 C ATOM 55 O ALA A 5 -2.556 -2.377 -5.674 1.00 0.00 O ATOM 56 CB ALA A 5 -5.539 -1.079 -5.554 1.00 0.00 C ATOM 0 H ALA A 5 -4.448 -3.750 -5.724 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.006 -1.580 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.312 -0.019 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.605 -1.242 -5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.268 -1.398 -4.547 1.00 0.00 H new ATOM 62 N THR A 6 -2.748 -0.579 -7.058 1.00 0.00 N ATOM 63 CA THR A 6 -1.356 -0.122 -7.002 1.00 0.00 C ATOM 64 C THR A 6 -1.293 1.272 -6.403 1.00 0.00 C ATOM 65 O THR A 6 -2.089 2.150 -6.743 1.00 0.00 O ATOM 66 CB THR A 6 -0.711 -0.093 -8.389 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.952 -1.315 -9.042 1.00 0.00 O ATOM 68 CG2 THR A 6 0.802 0.098 -8.293 1.00 0.00 C ATOM 0 H THR A 6 -3.332 0.006 -7.656 1.00 0.00 H new ATOM 0 HA THR A 6 -0.806 -0.829 -6.380 1.00 0.00 H new ATOM 0 HB THR A 6 -1.145 0.741 -8.941 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.541 -1.297 -9.931 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.231 0.114 -9.295 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.019 1.040 -7.790 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.237 -0.724 -7.725 1.00 0.00 H new ATOM 76 N PHE A 7 -0.283 1.470 -5.562 1.00 0.00 N ATOM 77 CA PHE A 7 0.004 2.726 -4.885 1.00 0.00 C ATOM 78 C PHE A 7 1.503 3.010 -4.891 1.00 0.00 C ATOM 79 O PHE A 7 2.321 2.103 -4.752 1.00 0.00 O ATOM 80 CB PHE A 7 -0.507 2.698 -3.441 1.00 0.00 C ATOM 81 CG PHE A 7 -1.906 2.126 -3.279 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.141 0.734 -3.178 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.001 3.007 -3.339 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.449 0.242 -3.179 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.309 2.508 -3.331 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.534 1.127 -3.252 1.00 0.00 C ATOM 0 H PHE A 7 0.381 0.733 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.512 3.520 -5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.184 2.112 -2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.495 3.713 -3.045 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.308 0.051 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.832 4.072 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.624 -0.822 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.146 3.188 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.544 0.744 -3.247 1.00 0.00 H new ATOM 96 N ILE A 8 1.872 4.279 -4.999 1.00 0.00 N ATOM 97 CA ILE A 8 3.243 4.764 -4.988 1.00 0.00 C ATOM 98 C ILE A 8 3.406 5.857 -3.948 1.00 0.00 C ATOM 99 O ILE A 8 2.545 6.720 -3.799 1.00 0.00 O ATOM 100 CB ILE A 8 3.636 5.183 -6.422 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.164 5.312 -6.497 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.941 6.461 -6.923 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.726 5.219 -7.917 1.00 0.00 C ATOM 0 H ILE A 8 1.192 5.032 -5.101 1.00 0.00 H new ATOM 0 HA ILE A 8 3.937 3.978 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 8 3.285 4.401 -7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.460 6.267 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.615 4.530 -5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.274 6.683 -7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.861 6.313 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.195 7.294 -6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.811 5.319 -7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.463 4.254 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.305 6.018 -8.528 1.00 0.00 H new ATOM 115 N ILE A 9 4.485 5.768 -3.179 1.00 0.00 N ATOM 116 CA ILE A 9 4.751 6.599 -2.021 1.00 0.00 C ATOM 117 C ILE A 9 5.961 7.477 -2.315 1.00 0.00 C ATOM 118 O ILE A 9 7.048 6.978 -2.596 1.00 0.00 O ATOM 119 CB ILE A 9 5.081 5.733 -0.776 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.160 4.557 -0.379 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.151 6.664 0.448 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.047 3.372 -1.325 1.00 0.00 C ATOM 0 H ILE A 9 5.224 5.088 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 9 3.863 7.197 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 9 6.007 5.245 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.501 4.180 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.158 4.957 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.382 6.078 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.930 7.411 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.191 7.163 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.365 2.634 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.666 3.711 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.030 2.921 -1.462 1.00 0.00 H new ATOM 134 N ASP A 10 5.796 8.785 -2.202 1.00 0.00 N ATOM 135 CA ASP A 10 6.927 9.706 -2.136 1.00 0.00 C ATOM 136 C ASP A 10 7.162 10.109 -0.677 1.00 0.00 C ATOM 137 O ASP A 10 6.229 10.130 0.124 1.00 0.00 O ATOM 138 CB ASP A 10 6.755 10.894 -3.084 1.00 0.00 C ATOM 139 CG ASP A 10 7.926 10.890 -4.067 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.076 11.086 -3.614 1.00 0.00 O ATOM 141 OD2 ASP A 10 7.725 10.506 -5.240 1.00 0.00 O ATOM 0 H ASP A 10 4.884 9.239 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 10 7.828 9.204 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.808 10.820 -3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.732 11.828 -2.523 1.00 0.00 H new ATOM 146 N GLY A 11 8.427 10.330 -0.314 1.00 0.00 N ATOM 147 CA GLY A 11 8.852 10.488 1.085 1.00 0.00 C ATOM 148 C GLY A 11 9.066 9.142 1.791 1.00 0.00 C ATOM 149 O GLY A 11 9.542 9.103 2.923 1.00 0.00 O ATOM 0 H GLY A 11 9.193 10.405 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.778 11.062 1.117 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.101 11.063 1.627 1.00 0.00 H new ATOM 153 N MET A 12 8.761 8.026 1.119 1.00 0.00 N ATOM 154 CA MET A 12 9.014 6.656 1.588 1.00 0.00 C ATOM 155 C MET A 12 10.482 6.437 1.963 1.00 0.00 C ATOM 156 O MET A 12 11.381 6.621 1.147 1.00 0.00 O ATOM 157 CB MET A 12 8.483 5.649 0.542 1.00 0.00 C ATOM 158 CG MET A 12 9.300 4.436 0.096 1.00 0.00 C ATOM 159 SD MET A 12 8.334 3.220 -0.837 1.00 0.00 S ATOM 160 CE MET A 12 9.513 1.848 -0.890 1.00 0.00 C ATOM 0 H MET A 12 8.316 8.051 0.202 1.00 0.00 H new ATOM 0 HA MET A 12 8.466 6.486 2.515 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.537 5.267 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.254 6.221 -0.357 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.134 4.775 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.727 3.952 0.974 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.031 0.971 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.371 2.129 -1.501 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.848 1.617 0.121 1.00 0.00 H new ATOM 170 N HIS A 13 10.708 5.931 3.179 1.00 0.00 N ATOM 171 CA HIS A 13 11.995 5.442 3.703 1.00 0.00 C ATOM 172 C HIS A 13 12.543 4.186 2.963 1.00 0.00 C ATOM 173 O HIS A 13 13.026 3.242 3.588 1.00 0.00 O ATOM 174 CB HIS A 13 11.852 5.189 5.218 1.00 0.00 C ATOM 175 CG HIS A 13 11.656 6.403 6.096 1.00 0.00 C ATOM 176 ND1 HIS A 13 11.697 6.402 7.475 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.461 7.702 5.706 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.533 7.664 7.900 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.397 8.489 6.856 1.00 0.00 N ATOM 0 H HIS A 13 9.959 5.845 3.866 1.00 0.00 H new ATOM 0 HA HIS A 13 12.740 6.216 3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.007 4.518 5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.743 4.663 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.373 8.054 4.689 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.514 7.970 8.936 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.271 9.500 6.894 1.00 0.00 H new ATOM 187 N CYS A 14 12.428 4.148 1.631 1.00 0.00 N ATOM 188 CA CYS A 14 12.919 3.155 0.672 1.00 0.00 C ATOM 189 C CYS A 14 12.999 1.712 1.216 1.00 0.00 C ATOM 190 O CYS A 14 11.956 1.113 1.494 1.00 0.00 O ATOM 191 CB CYS A 14 14.187 3.759 0.044 1.00 0.00 C ATOM 192 SG CYS A 14 14.526 2.959 -1.543 1.00 0.00 S ATOM 0 H CYS A 14 11.933 4.897 1.146 1.00 0.00 H new ATOM 0 HA CYS A 14 12.198 2.974 -0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.057 4.832 -0.100 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.035 3.628 0.716 1.00 0.00 H new ATOM 0 HG CYS A 14 15.597 3.475 -2.069 1.00 0.00 H new ATOM 198 N LYS A 15 14.202 1.160 1.411 1.00 0.00 N ATOM 199 CA LYS A 15 14.414 -0.214 1.905 1.00 0.00 C ATOM 200 C LYS A 15 13.640 -0.524 3.202 1.00 0.00 C ATOM 201 O LYS A 15 13.092 -1.607 3.370 1.00 0.00 O ATOM 202 CB LYS A 15 15.930 -0.442 2.117 1.00 0.00 C ATOM 203 CG LYS A 15 16.605 -1.341 1.066 1.00 0.00 C ATOM 204 CD LYS A 15 17.010 -0.679 -0.262 1.00 0.00 C ATOM 205 CE LYS A 15 15.829 -0.196 -1.106 1.00 0.00 C ATOM 206 NZ LYS A 15 16.222 0.133 -2.493 1.00 0.00 N ATOM 0 H LYS A 15 15.072 1.660 1.228 1.00 0.00 H new ATOM 0 HA LYS A 15 14.023 -0.897 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.431 0.526 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.082 -0.883 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.499 -1.775 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 15 15.929 -2.166 0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.661 0.169 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.594 -1.390 -0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.059 -0.967 -1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.388 0.684 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.369 0.274 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.790 1.004 -2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.784 -0.648 -2.889 1.00 0.00 H new ATOM 220 N SER A 16 13.571 0.429 4.126 1.00 0.00 N ATOM 221 CA SER A 16 12.901 0.261 5.419 1.00 0.00 C ATOM 222 C SER A 16 11.394 0.495 5.323 1.00 0.00 C ATOM 223 O SER A 16 10.656 -0.189 6.027 1.00 0.00 O ATOM 224 CB SER A 16 13.503 1.225 6.453 1.00 0.00 C ATOM 225 OG SER A 16 14.923 1.210 6.414 1.00 0.00 O ATOM 0 H SER A 16 13.983 1.353 4.000 1.00 0.00 H new ATOM 0 HA SER A 16 13.059 -0.771 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.143 2.236 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.162 0.949 7.451 1.00 0.00 H new ATOM 0 HG SER A 16 15.275 1.835 7.082 1.00 0.00 H new ATOM 231 N CYS A 17 10.907 1.396 4.447 1.00 0.00 N ATOM 232 CA CYS A 17 9.479 1.533 4.192 1.00 0.00 C ATOM 233 C CYS A 17 8.875 0.194 3.775 1.00 0.00 C ATOM 234 O CYS A 17 7.902 -0.222 4.396 1.00 0.00 O ATOM 235 CB CYS A 17 9.338 2.606 3.119 1.00 0.00 C ATOM 236 SG CYS A 17 7.691 2.601 2.384 1.00 0.00 S ATOM 0 H CYS A 17 11.491 2.036 3.909 1.00 0.00 H new ATOM 0 HA CYS A 17 8.931 1.830 5.086 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.539 3.585 3.554 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.084 2.443 2.341 1.00 0.00 H new ATOM 0 HG CYS A 17 7.794 2.579 1.088 1.00 0.00 H new ATOM 242 N VAL A 18 9.505 -0.485 2.814 1.00 0.00 N ATOM 243 CA VAL A 18 9.054 -1.790 2.287 1.00 0.00 C ATOM 244 C VAL A 18 8.583 -2.743 3.399 1.00 0.00 C ATOM 245 O VAL A 18 7.439 -3.192 3.365 1.00 0.00 O ATOM 246 CB VAL A 18 10.140 -2.420 1.369 1.00 0.00 C ATOM 247 CG1 VAL A 18 10.131 -3.954 1.292 1.00 0.00 C ATOM 248 CG2 VAL A 18 9.983 -1.780 -0.019 1.00 0.00 C ATOM 0 H VAL A 18 10.357 -0.145 2.368 1.00 0.00 H new ATOM 0 HA VAL A 18 8.174 -1.611 1.669 1.00 0.00 H new ATOM 0 HB VAL A 18 11.114 -2.206 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.926 -4.290 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.291 -4.369 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.169 -4.293 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.728 -2.195 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.985 -1.988 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.124 -0.702 0.059 1.00 0.00 H new ATOM 258 N SER A 19 9.398 -2.921 4.444 1.00 0.00 N ATOM 259 CA SER A 19 9.099 -3.872 5.530 1.00 0.00 C ATOM 260 C SER A 19 7.909 -3.442 6.416 1.00 0.00 C ATOM 261 O SER A 19 7.074 -4.267 6.810 1.00 0.00 O ATOM 262 CB SER A 19 10.394 -4.058 6.337 1.00 0.00 C ATOM 263 OG SER A 19 10.256 -5.006 7.379 1.00 0.00 O ATOM 0 H SER A 19 10.277 -2.417 4.565 1.00 0.00 H new ATOM 0 HA SER A 19 8.774 -4.820 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.193 -4.375 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.694 -3.100 6.760 1.00 0.00 H new ATOM 0 HG SER A 19 11.106 -5.089 7.860 1.00 0.00 H new ATOM 269 N ASN A 20 7.747 -2.134 6.658 1.00 0.00 N ATOM 270 CA ASN A 20 6.530 -1.607 7.290 1.00 0.00 C ATOM 271 C ASN A 20 5.300 -1.869 6.416 1.00 0.00 C ATOM 272 O ASN A 20 4.255 -2.256 6.924 1.00 0.00 O ATOM 273 CB ASN A 20 6.583 -0.090 7.471 1.00 0.00 C ATOM 274 CG ASN A 20 7.625 0.437 8.419 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.390 0.691 9.588 1.00 0.00 O ATOM 276 ND2 ASN A 20 8.801 0.707 7.916 1.00 0.00 N ATOM 0 H ASN A 20 8.441 -1.423 6.426 1.00 0.00 H new ATOM 0 HA ASN A 20 6.465 -2.112 8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.749 0.364 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.606 0.247 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.521 1.130 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.998 0.495 6.938 1.00 0.00 H new ATOM 283 N ILE A 21 5.400 -1.614 5.107 1.00 0.00 N ATOM 284 CA ILE A 21 4.248 -1.625 4.192 1.00 0.00 C ATOM 285 C ILE A 21 3.710 -3.038 4.052 1.00 0.00 C ATOM 286 O ILE A 21 2.509 -3.215 4.226 1.00 0.00 O ATOM 287 CB ILE A 21 4.596 -1.065 2.799 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.230 0.346 2.854 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.319 -1.123 1.930 1.00 0.00 C ATOM 290 CD1 ILE A 21 4.288 1.521 2.612 1.00 0.00 C ATOM 0 H ILE A 21 6.284 -1.393 4.649 1.00 0.00 H new ATOM 0 HA ILE A 21 3.488 -0.975 4.626 1.00 0.00 H new ATOM 0 HB ILE A 21 5.371 -1.681 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.693 0.475 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.029 0.391 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.537 -0.732 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.982 -2.156 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.536 -0.522 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.847 2.455 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.842 1.432 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.501 1.517 3.366 1.00 0.00 H new ATOM 302 N GLU A 22 4.598 -4.003 3.788 1.00 0.00 N ATOM 303 CA GLU A 22 4.325 -5.439 3.818 1.00 0.00 C ATOM 304 C GLU A 22 3.498 -5.779 5.068 1.00 0.00 C ATOM 305 O GLU A 22 2.421 -6.365 4.979 1.00 0.00 O ATOM 306 CB GLU A 22 5.687 -6.180 3.810 1.00 0.00 C ATOM 307 CG GLU A 22 6.347 -6.216 2.418 1.00 0.00 C ATOM 308 CD GLU A 22 7.812 -6.694 2.441 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.622 -6.105 3.193 1.00 0.00 O ATOM 310 OE2 GLU A 22 8.121 -7.644 1.691 1.00 0.00 O ATOM 0 H GLU A 22 5.564 -3.793 3.538 1.00 0.00 H new ATOM 0 HA GLU A 22 3.744 -5.751 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.363 -5.694 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.541 -7.201 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.769 -6.874 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.306 -5.219 1.980 1.00 0.00 H new ATOM 317 N SER A 23 3.959 -5.325 6.231 1.00 0.00 N ATOM 318 CA SER A 23 3.353 -5.630 7.529 1.00 0.00 C ATOM 319 C SER A 23 2.008 -4.952 7.812 1.00 0.00 C ATOM 320 O SER A 23 1.055 -5.615 8.222 1.00 0.00 O ATOM 321 CB SER A 23 4.356 -5.245 8.630 1.00 0.00 C ATOM 322 OG SER A 23 5.603 -5.899 8.470 1.00 0.00 O ATOM 0 H SER A 23 4.780 -4.723 6.301 1.00 0.00 H new ATOM 0 HA SER A 23 3.130 -6.697 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.509 -4.166 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.938 -5.497 9.605 1.00 0.00 H new ATOM 0 HG SER A 23 6.173 -5.374 7.870 1.00 0.00 H new ATOM 328 N THR A 24 1.932 -3.630 7.632 1.00 0.00 N ATOM 329 CA THR A 24 0.757 -2.801 7.926 1.00 0.00 C ATOM 330 C THR A 24 -0.385 -3.154 7.001 1.00 0.00 C ATOM 331 O THR A 24 -1.526 -3.254 7.445 1.00 0.00 O ATOM 332 CB THR A 24 1.139 -1.317 7.809 1.00 0.00 C ATOM 333 OG1 THR A 24 2.032 -1.060 8.861 1.00 0.00 O ATOM 334 CG2 THR A 24 -0.041 -0.365 8.002 1.00 0.00 C ATOM 0 H THR A 24 2.714 -3.088 7.265 1.00 0.00 H new ATOM 0 HA THR A 24 0.420 -2.993 8.945 1.00 0.00 H new ATOM 0 HB THR A 24 1.542 -1.150 6.810 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.932 -1.351 8.605 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.303 0.665 7.906 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.799 -0.567 7.245 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.470 -0.513 8.993 1.00 0.00 H new ATOM 342 N LEU A 25 -0.073 -3.347 5.720 1.00 0.00 N ATOM 343 CA LEU A 25 -1.064 -3.740 4.736 1.00 0.00 C ATOM 344 C LEU A 25 -1.452 -5.201 4.901 1.00 0.00 C ATOM 345 O LEU A 25 -2.645 -5.452 4.990 1.00 0.00 O ATOM 346 CB LEU A 25 -0.576 -3.435 3.318 1.00 0.00 C ATOM 347 CG LEU A 25 -0.556 -1.945 2.892 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.869 -1.593 2.184 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.309 -0.924 4.019 1.00 0.00 C ATOM 0 H LEU A 25 0.868 -3.235 5.343 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.964 -3.149 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.434 -3.832 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.207 -3.981 2.617 1.00 0.00 H new ATOM 0 HG LEU A 25 0.306 -1.861 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.852 -0.545 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.985 -2.220 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.705 -1.764 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.316 0.084 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.094 -1.013 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.659 -1.119 4.481 1.00 0.00 H new ATOM 361 N SER A 26 -0.523 -6.167 4.998 1.00 0.00 N ATOM 362 CA SER A 26 -0.906 -7.597 5.005 1.00 0.00 C ATOM 363 C SER A 26 -1.540 -8.053 6.337 1.00 0.00 C ATOM 364 O SER A 26 -1.691 -9.251 6.587 1.00 0.00 O ATOM 365 CB SER A 26 0.282 -8.495 4.636 1.00 0.00 C ATOM 366 OG SER A 26 -0.132 -9.846 4.500 1.00 0.00 O ATOM 0 H SER A 26 0.480 -5.994 5.071 1.00 0.00 H new ATOM 0 HA SER A 26 -1.676 -7.703 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.728 -8.151 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.052 -8.421 5.404 1.00 0.00 H new ATOM 0 HG SER A 26 -0.789 -10.058 5.195 1.00 0.00 H new ATOM 372 N ALA A 27 -1.924 -7.099 7.185 1.00 0.00 N ATOM 373 CA ALA A 27 -2.662 -7.309 8.428 1.00 0.00 C ATOM 374 C ALA A 27 -4.120 -6.825 8.318 1.00 0.00 C ATOM 375 O ALA A 27 -4.885 -6.954 9.276 1.00 0.00 O ATOM 376 CB ALA A 27 -1.906 -6.571 9.541 1.00 0.00 C ATOM 0 H ALA A 27 -1.719 -6.114 7.015 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.720 -8.374 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.429 -6.706 10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.897 -6.974 9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.854 -5.509 9.303 1.00 0.00 H new ATOM 382 N LEU A 28 -4.525 -6.234 7.184 1.00 0.00 N ATOM 383 CA LEU A 28 -5.833 -5.605 7.059 1.00 0.00 C ATOM 384 C LEU A 28 -6.927 -6.668 6.928 1.00 0.00 C ATOM 385 O LEU A 28 -6.826 -7.571 6.100 1.00 0.00 O ATOM 386 CB LEU A 28 -5.845 -4.641 5.862 1.00 0.00 C ATOM 387 CG LEU A 28 -4.903 -3.434 6.019 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.652 -2.753 4.667 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.496 -2.402 6.978 1.00 0.00 C ATOM 0 H LEU A 28 -3.956 -6.183 6.339 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.036 -5.027 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.567 -5.191 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.862 -4.278 5.712 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.962 -3.811 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.983 -1.903 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.195 -3.465 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.599 -2.406 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.812 -1.558 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.453 -2.052 6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.647 -2.859 7.956 1.00 0.00 H new ATOM 401 N GLN A 29 -8.011 -6.500 7.689 1.00 0.00 N ATOM 402 CA GLN A 29 -9.141 -7.437 7.831 1.00 0.00 C ATOM 403 C GLN A 29 -9.913 -7.783 6.540 1.00 0.00 C ATOM 404 O GLN A 29 -10.915 -8.485 6.607 1.00 0.00 O ATOM 405 CB GLN A 29 -10.104 -6.879 8.894 1.00 0.00 C ATOM 406 CG GLN A 29 -10.900 -5.659 8.394 1.00 0.00 C ATOM 407 CD GLN A 29 -11.723 -5.030 9.509 1.00 0.00 C ATOM 408 OE1 GLN A 29 -11.437 -3.941 9.972 1.00 0.00 O ATOM 409 NE2 GLN A 29 -12.746 -5.689 10.010 1.00 0.00 N ATOM 0 H GLN A 29 -8.136 -5.662 8.256 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.699 -8.388 8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.799 -7.662 9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.536 -6.598 9.781 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.213 -4.918 7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.560 -5.963 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.998 -6.603 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.287 -5.286 10.775 1.00 0.00 H new ATOM 418 N TYR A 30 -9.482 -7.272 5.387 1.00 0.00 N ATOM 419 CA TYR A 30 -10.005 -7.561 4.055 1.00 0.00 C ATOM 420 C TYR A 30 -8.937 -7.953 3.014 1.00 0.00 C ATOM 421 O TYR A 30 -9.321 -8.289 1.896 1.00 0.00 O ATOM 422 CB TYR A 30 -10.787 -6.323 3.571 1.00 0.00 C ATOM 423 CG TYR A 30 -10.178 -4.945 3.839 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.821 -4.653 3.574 1.00 0.00 C ATOM 425 CD2 TYR A 30 -11.001 -3.927 4.365 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.315 -3.364 3.805 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.492 -2.636 4.612 1.00 0.00 C ATOM 428 CZ TYR A 30 -9.142 -2.346 4.323 1.00 0.00 C ATOM 429 OH TYR A 30 -8.633 -1.106 4.565 1.00 0.00 O ATOM 0 H TYR A 30 -8.711 -6.605 5.358 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.645 -8.439 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.936 -6.420 2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.774 -6.349 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.170 -5.425 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -12.037 -4.140 4.582 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.280 -3.149 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.134 -1.870 5.022 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.339 -0.526 4.919 1.00 0.00 H new ATOM 439 N VAL A 31 -7.626 -7.861 3.289 1.00 0.00 N ATOM 440 CA VAL A 31 -6.614 -8.014 2.222 1.00 0.00 C ATOM 441 C VAL A 31 -6.233 -9.488 2.054 1.00 0.00 C ATOM 442 O VAL A 31 -6.117 -10.220 3.030 1.00 0.00 O ATOM 443 CB VAL A 31 -5.414 -7.051 2.352 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.480 -7.417 3.457 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.536 -6.952 1.092 1.00 0.00 C ATOM 0 H VAL A 31 -7.244 -7.685 4.218 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.073 -7.698 1.285 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.910 -6.099 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.660 -6.700 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.016 -7.403 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.081 -8.416 3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.718 -6.255 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.129 -7.935 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.138 -6.596 0.256 1.00 0.00 H new ATOM 455 N SER A 32 -6.073 -9.941 0.816 1.00 0.00 N ATOM 456 CA SER A 32 -5.754 -11.337 0.502 1.00 0.00 C ATOM 457 C SER A 32 -4.264 -11.556 0.204 1.00 0.00 C ATOM 458 O SER A 32 -3.807 -12.695 0.250 1.00 0.00 O ATOM 459 CB SER A 32 -6.585 -11.773 -0.709 1.00 0.00 C ATOM 460 OG SER A 32 -6.540 -13.177 -0.872 1.00 0.00 O ATOM 0 H SER A 32 -6.161 -9.347 -0.009 1.00 0.00 H new ATOM 0 HA SER A 32 -5.994 -11.936 1.381 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.618 -11.451 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.208 -11.286 -1.608 1.00 0.00 H new ATOM 0 HG SER A 32 -7.078 -13.433 -1.650 1.00 0.00 H new ATOM 466 N SER A 33 -3.508 -10.501 -0.125 1.00 0.00 N ATOM 467 CA SER A 33 -2.115 -10.546 -0.594 1.00 0.00 C ATOM 468 C SER A 33 -1.544 -9.157 -0.916 1.00 0.00 C ATOM 469 O SER A 33 -2.245 -8.146 -0.969 1.00 0.00 O ATOM 470 CB SER A 33 -1.983 -11.463 -1.821 1.00 0.00 C ATOM 471 OG SER A 33 -1.759 -12.793 -1.407 1.00 0.00 O ATOM 0 H SER A 33 -3.867 -9.548 -0.069 1.00 0.00 H new ATOM 0 HA SER A 33 -1.529 -10.951 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.889 -11.409 -2.425 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.160 -11.126 -2.451 1.00 0.00 H new ATOM 0 HG SER A 33 -2.548 -13.124 -0.929 1.00 0.00 H new ATOM 477 N ILE A 34 -0.242 -9.121 -1.172 1.00 0.00 N ATOM 478 CA ILE A 34 0.579 -7.924 -1.396 1.00 0.00 C ATOM 479 C ILE A 34 1.958 -8.314 -1.946 1.00 0.00 C ATOM 480 O ILE A 34 2.444 -9.410 -1.684 1.00 0.00 O ATOM 481 CB ILE A 34 0.691 -7.075 -0.097 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.446 -5.747 -0.340 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.351 -7.849 1.062 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.252 -4.718 0.775 1.00 0.00 C ATOM 0 H ILE A 34 0.309 -9.977 -1.234 1.00 0.00 H new ATOM 0 HA ILE A 34 0.089 -7.301 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.334 -6.845 0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.510 -5.958 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.111 -5.316 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.404 -7.210 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.759 -8.735 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.357 -8.150 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.810 -3.813 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.193 -4.477 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.614 -5.130 1.717 1.00 0.00 H new ATOM 496 N VAL A 35 2.552 -7.399 -2.706 1.00 0.00 N ATOM 497 CA VAL A 35 3.949 -7.360 -3.165 1.00 0.00 C ATOM 498 C VAL A 35 4.379 -5.897 -3.124 1.00 0.00 C ATOM 499 O VAL A 35 3.558 -5.011 -3.363 1.00 0.00 O ATOM 500 CB VAL A 35 4.106 -7.918 -4.603 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.446 -7.566 -5.281 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.004 -9.447 -4.582 1.00 0.00 C ATOM 0 H VAL A 35 2.029 -6.594 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 35 4.568 -7.986 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 35 3.305 -7.450 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.471 -7.996 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.546 -6.483 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.269 -7.971 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.115 -9.833 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.792 -9.856 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.032 -9.741 -4.186 1.00 0.00 H new ATOM 512 N VAL A 36 5.657 -5.628 -2.868 1.00 0.00 N ATOM 513 CA VAL A 36 6.195 -4.256 -2.900 1.00 0.00 C ATOM 514 C VAL A 36 7.569 -4.225 -3.575 1.00 0.00 C ATOM 515 O VAL A 36 8.334 -5.187 -3.499 1.00 0.00 O ATOM 516 CB VAL A 36 6.179 -3.628 -1.486 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.199 -4.282 -0.559 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.393 -2.106 -1.496 1.00 0.00 C ATOM 0 H VAL A 36 6.348 -6.341 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 36 5.547 -3.630 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 36 5.177 -3.819 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.153 -3.810 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.974 -5.344 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.199 -4.159 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.371 -1.729 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.359 -1.877 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.601 -1.631 -2.075 1.00 0.00 H new ATOM 528 N SER A 37 7.859 -3.135 -4.287 1.00 0.00 N ATOM 529 CA SER A 37 9.097 -2.986 -5.058 1.00 0.00 C ATOM 530 C SER A 37 10.213 -2.321 -4.244 1.00 0.00 C ATOM 531 O SER A 37 10.065 -1.216 -3.735 1.00 0.00 O ATOM 532 CB SER A 37 8.827 -2.202 -6.350 1.00 0.00 C ATOM 533 OG SER A 37 8.211 -3.052 -7.302 1.00 0.00 O ATOM 0 H SER A 37 7.240 -2.327 -4.346 1.00 0.00 H new ATOM 0 HA SER A 37 9.444 -3.987 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.184 -1.347 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.761 -1.808 -6.750 1.00 0.00 H new ATOM 0 HG SER A 37 8.038 -2.550 -8.125 1.00 0.00 H new ATOM 539 N LEU A 38 11.380 -2.971 -4.155 1.00 0.00 N ATOM 540 CA LEU A 38 12.497 -2.491 -3.347 1.00 0.00 C ATOM 541 C LEU A 38 13.163 -1.231 -3.934 1.00 0.00 C ATOM 542 O LEU A 38 13.560 -0.339 -3.187 1.00 0.00 O ATOM 543 CB LEU A 38 13.465 -3.691 -3.168 1.00 0.00 C ATOM 544 CG LEU A 38 14.048 -3.996 -1.763 1.00 0.00 C ATOM 545 CD1 LEU A 38 15.562 -3.826 -1.761 1.00 0.00 C ATOM 546 CD2 LEU A 38 13.460 -3.205 -0.591 1.00 0.00 C ATOM 0 H LEU A 38 11.572 -3.845 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 38 12.151 -2.152 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.943 -4.586 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.306 -3.537 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 38 13.754 -5.031 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.951 -4.044 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.006 -4.511 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.813 -2.801 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.949 -3.508 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.621 -2.139 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.391 -3.404 -0.518 1.00 0.00 H new ATOM 558 N GLU A 39 13.257 -1.137 -5.268 1.00 0.00 N ATOM 559 CA GLU A 39 13.907 -0.034 -6.001 1.00 0.00 C ATOM 560 C GLU A 39 12.936 0.966 -6.653 1.00 0.00 C ATOM 561 O GLU A 39 13.343 2.006 -7.167 1.00 0.00 O ATOM 562 CB GLU A 39 14.845 -0.604 -7.078 1.00 0.00 C ATOM 563 CG GLU A 39 15.924 -1.579 -6.574 1.00 0.00 C ATOM 564 CD GLU A 39 16.531 -1.151 -5.241 1.00 0.00 C ATOM 565 OE1 GLU A 39 17.027 -0.013 -5.116 1.00 0.00 O ATOM 566 OE2 GLU A 39 16.374 -1.907 -4.257 1.00 0.00 O ATOM 0 H GLU A 39 12.871 -1.848 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 39 14.461 0.528 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.240 -1.115 -7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.339 0.228 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.488 -2.572 -6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.715 -1.656 -7.320 1.00 0.00 H new ATOM 573 N ASN A 40 11.638 0.675 -6.666 1.00 0.00 N ATOM 574 CA ASN A 40 10.579 1.588 -7.109 1.00 0.00 C ATOM 575 C ASN A 40 9.623 1.764 -5.941 1.00 0.00 C ATOM 576 O ASN A 40 9.177 0.774 -5.383 1.00 0.00 O ATOM 577 CB ASN A 40 9.825 1.014 -8.316 1.00 0.00 C ATOM 578 CG ASN A 40 10.616 1.032 -9.616 1.00 0.00 C ATOM 579 OD1 ASN A 40 11.891 1.368 -9.588 1.00 0.00 O flip ATOM 580 ND2 ASN A 40 10.080 0.737 -10.671 1.00 0.00 N flip ATOM 0 H ASN A 40 11.279 -0.229 -6.360 1.00 0.00 H new ATOM 0 HA ASN A 40 11.010 2.541 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.537 -0.014 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.904 1.580 -8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.094 0.478 -10.687 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.618 0.749 -11.537 1.00 0.00 H new ATOM 587 N ARG A 41 9.278 3.002 -5.587 1.00 0.00 N ATOM 588 CA ARG A 41 8.591 3.352 -4.335 1.00 0.00 C ATOM 589 C ARG A 41 7.105 2.944 -4.263 1.00 0.00 C ATOM 590 O ARG A 41 6.279 3.688 -3.746 1.00 0.00 O ATOM 591 CB ARG A 41 8.785 4.852 -4.034 1.00 0.00 C ATOM 592 CG ARG A 41 10.228 5.330 -3.936 1.00 0.00 C ATOM 593 CD ARG A 41 10.651 6.025 -5.216 1.00 0.00 C ATOM 594 NE ARG A 41 10.153 7.410 -5.321 1.00 0.00 N ATOM 595 CZ ARG A 41 10.728 8.401 -6.000 1.00 0.00 C ATOM 596 NH1 ARG A 41 11.811 8.228 -6.736 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.229 9.613 -5.969 1.00 0.00 N ATOM 0 H ARG A 41 9.472 3.813 -6.175 1.00 0.00 H new ATOM 0 HA ARG A 41 9.063 2.752 -3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.284 5.427 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.282 5.082 -3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.333 6.013 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.885 4.482 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.739 6.032 -5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.290 5.451 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 41 9.288 7.629 -4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.241 7.306 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.217 9.017 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.391 9.806 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.679 10.363 -6.493 1.00 0.00 H new ATOM 611 N SER A 42 6.718 1.813 -4.847 1.00 0.00 N ATOM 612 CA SER A 42 5.330 1.376 -4.991 1.00 0.00 C ATOM 613 C SER A 42 5.040 -0.039 -4.501 1.00 0.00 C ATOM 614 O SER A 42 5.872 -0.942 -4.601 1.00 0.00 O ATOM 615 CB SER A 42 4.913 1.404 -6.466 1.00 0.00 C ATOM 616 OG SER A 42 5.851 0.713 -7.285 1.00 0.00 O ATOM 0 H SER A 42 7.384 1.152 -5.247 1.00 0.00 H new ATOM 0 HA SER A 42 4.772 2.076 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.928 0.950 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.827 2.437 -6.802 1.00 0.00 H new ATOM 0 HG SER A 42 5.557 0.747 -8.219 1.00 0.00 H new ATOM 622 N ALA A 43 3.783 -0.217 -4.098 1.00 0.00 N ATOM 623 CA ALA A 43 3.173 -1.434 -3.570 1.00 0.00 C ATOM 624 C ALA A 43 1.993 -1.869 -4.450 1.00 0.00 C ATOM 625 O ALA A 43 1.172 -1.046 -4.855 1.00 0.00 O ATOM 626 CB ALA A 43 2.685 -1.127 -2.146 1.00 0.00 C ATOM 0 H ALA A 43 3.111 0.549 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 43 3.898 -2.248 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.222 -2.017 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.531 -0.827 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.955 -0.319 -2.178 1.00 0.00 H new ATOM 632 N ILE A 44 1.887 -3.169 -4.717 1.00 0.00 N ATOM 633 CA ILE A 44 0.764 -3.809 -5.410 1.00 0.00 C ATOM 634 C ILE A 44 0.056 -4.642 -4.347 1.00 0.00 C ATOM 635 O ILE A 44 0.663 -5.540 -3.758 1.00 0.00 O ATOM 636 CB ILE A 44 1.270 -4.652 -6.602 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.968 -3.735 -7.639 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.091 -5.404 -7.245 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.694 -4.494 -8.756 1.00 0.00 C ATOM 0 H ILE A 44 2.610 -3.836 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 44 0.073 -3.089 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 44 1.996 -5.384 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.223 -3.077 -8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.685 -3.099 -7.121 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.452 -5.997 -8.085 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.367 -6.062 -6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.649 -4.686 -7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.156 -3.781 -9.440 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.464 -5.131 -8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.979 -5.109 -9.302 1.00 0.00 H new ATOM 651 N VAL A 45 -1.199 -4.306 -4.065 1.00 0.00 N ATOM 652 CA VAL A 45 -1.955 -4.809 -2.913 1.00 0.00 C ATOM 653 C VAL A 45 -3.240 -5.474 -3.411 1.00 0.00 C ATOM 654 O VAL A 45 -3.974 -4.877 -4.197 1.00 0.00 O ATOM 655 CB VAL A 45 -2.295 -3.648 -1.965 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.896 -4.206 -0.666 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.089 -2.754 -1.620 1.00 0.00 C ATOM 0 H VAL A 45 -1.736 -3.660 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.355 -5.539 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.011 -3.019 -2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.137 -3.383 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.803 -4.765 -0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.175 -4.867 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.407 -1.957 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.319 -3.353 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.686 -2.318 -2.534 1.00 0.00 H new ATOM 667 N VAL A 46 -3.512 -6.689 -2.938 1.00 0.00 N ATOM 668 CA VAL A 46 -4.539 -7.600 -3.469 1.00 0.00 C ATOM 669 C VAL A 46 -5.577 -7.860 -2.369 1.00 0.00 C ATOM 670 O VAL A 46 -5.247 -8.518 -1.391 1.00 0.00 O ATOM 671 CB VAL A 46 -3.842 -8.925 -3.886 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.779 -9.972 -4.493 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.620 -8.719 -4.807 1.00 0.00 C ATOM 0 H VAL A 46 -3.008 -7.086 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.042 -7.169 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.488 -9.321 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.208 -10.863 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.550 -10.234 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.247 -9.565 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.185 -9.687 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.934 -8.216 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.877 -8.109 -4.294 1.00 0.00 H new ATOM 683 N TYR A 47 -6.808 -7.338 -2.464 1.00 0.00 N ATOM 684 CA TYR A 47 -7.794 -7.334 -1.358 1.00 0.00 C ATOM 685 C TYR A 47 -9.172 -7.901 -1.750 1.00 0.00 C ATOM 686 O TYR A 47 -9.623 -7.722 -2.874 1.00 0.00 O ATOM 687 CB TYR A 47 -7.931 -5.909 -0.790 1.00 0.00 C ATOM 688 CG TYR A 47 -8.655 -4.927 -1.700 1.00 0.00 C ATOM 689 CD1 TYR A 47 -8.004 -4.387 -2.828 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.994 -4.576 -1.440 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.690 -3.522 -3.701 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.691 -3.726 -2.322 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.050 -3.213 -3.468 1.00 0.00 C ATOM 694 OH TYR A 47 -10.760 -2.478 -4.370 1.00 0.00 O ATOM 0 H TYR A 47 -7.157 -6.901 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.409 -8.006 -0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.462 -5.961 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.935 -5.520 -0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.972 -4.639 -3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.489 -4.960 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.177 -3.094 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.720 -3.467 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.716 -2.548 -4.168 1.00 0.00 H new ATOM 704 N ASN A 48 -9.875 -8.582 -0.843 1.00 0.00 N ATOM 705 CA ASN A 48 -11.115 -9.307 -1.143 1.00 0.00 C ATOM 706 C ASN A 48 -12.370 -8.479 -0.797 1.00 0.00 C ATOM 707 O ASN A 48 -12.689 -8.288 0.376 1.00 0.00 O ATOM 708 CB ASN A 48 -11.084 -10.671 -0.424 1.00 0.00 C ATOM 709 CG ASN A 48 -12.248 -11.572 -0.826 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.945 -12.146 -0.002 1.00 0.00 O ATOM 711 ND2 ASN A 48 -12.495 -11.715 -2.110 1.00 0.00 N ATOM 0 H ASN A 48 -9.596 -8.647 0.136 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.177 -9.483 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.144 -11.175 -0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.109 -10.510 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.268 -12.305 -2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.913 -11.236 -2.798 1.00 0.00 H new ATOM 718 N ALA A 49 -13.077 -7.994 -1.828 1.00 0.00 N ATOM 719 CA ALA A 49 -14.183 -7.032 -1.729 1.00 0.00 C ATOM 720 C ALA A 49 -14.820 -6.765 -3.104 1.00 0.00 C ATOM 721 O ALA A 49 -14.131 -6.749 -4.118 1.00 0.00 O ATOM 722 CB ALA A 49 -13.647 -5.715 -1.155 1.00 0.00 C ATOM 0 H ALA A 49 -12.886 -8.272 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 49 -14.949 -7.452 -1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.461 -4.994 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.225 -5.894 -0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -12.873 -5.320 -1.813 1.00 0.00 H new ATOM 728 N SER A 50 -16.121 -6.482 -3.153 1.00 0.00 N ATOM 729 CA SER A 50 -16.856 -6.238 -4.406 1.00 0.00 C ATOM 730 C SER A 50 -16.922 -4.746 -4.781 1.00 0.00 C ATOM 731 O SER A 50 -17.762 -4.343 -5.582 1.00 0.00 O ATOM 732 CB SER A 50 -18.265 -6.849 -4.305 1.00 0.00 C ATOM 733 OG SER A 50 -18.229 -8.192 -3.836 1.00 0.00 O ATOM 0 H SER A 50 -16.705 -6.414 -2.320 1.00 0.00 H new ATOM 0 HA SER A 50 -16.306 -6.725 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.875 -6.246 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.745 -6.819 -5.283 1.00 0.00 H new ATOM 0 HG SER A 50 -19.142 -8.545 -3.784 1.00 0.00 H new ATOM 739 N SER A 51 -16.067 -3.896 -4.199 1.00 0.00 N ATOM 740 CA SER A 51 -16.054 -2.457 -4.462 1.00 0.00 C ATOM 741 C SER A 51 -14.682 -1.934 -4.929 1.00 0.00 C ATOM 742 O SER A 51 -13.636 -2.245 -4.350 1.00 0.00 O ATOM 743 CB SER A 51 -16.544 -1.672 -3.229 1.00 0.00 C ATOM 744 OG SER A 51 -15.621 -1.667 -2.152 1.00 0.00 O ATOM 0 H SER A 51 -15.360 -4.193 -3.527 1.00 0.00 H new ATOM 0 HA SER A 51 -16.744 -2.292 -5.290 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.751 -0.643 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.486 -2.101 -2.887 1.00 0.00 H new ATOM 0 HG SER A 51 -15.992 -1.152 -1.405 1.00 0.00 H new ATOM 750 N VAL A 52 -14.680 -1.090 -5.966 1.00 0.00 N ATOM 751 CA VAL A 52 -13.497 -0.304 -6.335 1.00 0.00 C ATOM 752 C VAL A 52 -13.390 0.785 -5.270 1.00 0.00 C ATOM 753 O VAL A 52 -14.142 1.761 -5.289 1.00 0.00 O ATOM 754 CB VAL A 52 -13.592 0.297 -7.758 1.00 0.00 C ATOM 755 CG1 VAL A 52 -12.360 1.156 -8.091 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.724 -0.819 -8.807 1.00 0.00 C ATOM 0 H VAL A 52 -15.489 -0.933 -6.568 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.608 -0.935 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.478 0.931 -7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.461 1.562 -9.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.283 1.975 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.462 0.541 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.790 -0.378 -9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.852 -1.471 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.624 -1.401 -8.608 1.00 0.00 H new ATOM 766 N THR A 53 -12.523 0.556 -4.280 1.00 0.00 N ATOM 767 CA THR A 53 -12.290 1.478 -3.160 1.00 0.00 C ATOM 768 C THR A 53 -10.808 1.447 -2.755 1.00 0.00 C ATOM 769 O THR A 53 -10.498 1.189 -1.584 1.00 0.00 O ATOM 770 CB THR A 53 -13.250 1.200 -1.986 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.554 0.972 -2.476 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.349 2.396 -1.036 1.00 0.00 C ATOM 0 H THR A 53 -11.953 -0.288 -4.231 1.00 0.00 H new ATOM 0 HA THR A 53 -12.515 2.495 -3.483 1.00 0.00 H new ATOM 0 HB THR A 53 -12.854 0.333 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.813 0.044 -2.296 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.035 2.159 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.364 2.618 -0.626 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.719 3.264 -1.581 1.00 0.00 H new ATOM 780 N PRO A 54 -9.869 1.674 -3.701 1.00 0.00 N ATOM 781 CA PRO A 54 -8.434 1.642 -3.421 1.00 0.00 C ATOM 782 C PRO A 54 -8.019 2.730 -2.419 1.00 0.00 C ATOM 783 O PRO A 54 -6.982 2.609 -1.774 1.00 0.00 O ATOM 784 CB PRO A 54 -7.761 1.802 -4.789 1.00 0.00 C ATOM 785 CG PRO A 54 -8.763 2.613 -5.597 1.00 0.00 C ATOM 786 CD PRO A 54 -10.096 2.081 -5.087 1.00 0.00 C ATOM 0 HA PRO A 54 -8.131 0.712 -2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.804 2.318 -4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.563 0.835 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.657 3.683 -5.420 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.645 2.454 -6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.869 2.847 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.435 1.238 -5.690 1.00 0.00 H new ATOM 794 N GLU A 55 -8.859 3.748 -2.203 1.00 0.00 N ATOM 795 CA GLU A 55 -8.689 4.786 -1.191 1.00 0.00 C ATOM 796 C GLU A 55 -8.750 4.221 0.240 1.00 0.00 C ATOM 797 O GLU A 55 -8.501 4.960 1.189 1.00 0.00 O ATOM 798 CB GLU A 55 -9.770 5.888 -1.300 1.00 0.00 C ATOM 799 CG GLU A 55 -10.017 6.492 -2.689 1.00 0.00 C ATOM 800 CD GLU A 55 -10.621 5.480 -3.663 1.00 0.00 C ATOM 801 OE1 GLU A 55 -11.318 4.553 -3.187 1.00 0.00 O ATOM 802 OE2 GLU A 55 -10.239 5.526 -4.843 1.00 0.00 O ATOM 0 H GLU A 55 -9.709 3.873 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.703 5.208 -1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.712 5.475 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.497 6.698 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.686 7.348 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.076 6.865 -3.093 1.00 0.00 H new ATOM 809 N SER A 56 -9.117 2.954 0.437 1.00 0.00 N ATOM 810 CA SER A 56 -8.987 2.269 1.731 1.00 0.00 C ATOM 811 C SER A 56 -7.551 1.798 1.987 1.00 0.00 C ATOM 812 O SER A 56 -6.965 2.122 3.021 1.00 0.00 O ATOM 813 CB SER A 56 -9.944 1.074 1.806 1.00 0.00 C ATOM 814 OG SER A 56 -9.731 0.153 0.750 1.00 0.00 O ATOM 0 H SER A 56 -9.515 2.369 -0.297 1.00 0.00 H new ATOM 0 HA SER A 56 -9.248 2.992 2.504 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.814 0.566 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.973 1.432 1.772 1.00 0.00 H new ATOM 0 HG SER A 56 -10.020 0.553 -0.096 1.00 0.00 H new ATOM 820 N LEU A 57 -6.963 1.071 1.030 1.00 0.00 N ATOM 821 CA LEU A 57 -5.578 0.628 1.109 1.00 0.00 C ATOM 822 C LEU A 57 -4.625 1.828 1.088 1.00 0.00 C ATOM 823 O LEU A 57 -3.717 1.852 1.914 1.00 0.00 O ATOM 824 CB LEU A 57 -5.267 -0.345 -0.030 1.00 0.00 C ATOM 825 CG LEU A 57 -6.119 -1.634 -0.127 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.641 -2.395 -1.367 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.059 -2.554 1.104 1.00 0.00 C ATOM 0 H LEU A 57 -7.441 0.776 0.179 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.432 0.104 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.369 0.196 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.221 -0.640 0.057 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.164 -1.330 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.217 -3.314 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.781 -1.774 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.584 -2.640 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.689 -3.428 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.030 -2.875 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.415 -2.013 1.980 1.00 0.00 H new ATOM 839 N ARG A 58 -4.867 2.853 0.247 1.00 0.00 N ATOM 840 CA ARG A 58 -4.114 4.120 0.268 1.00 0.00 C ATOM 841 C ARG A 58 -3.987 4.675 1.689 1.00 0.00 C ATOM 842 O ARG A 58 -2.887 4.881 2.184 1.00 0.00 O ATOM 843 CB ARG A 58 -4.682 5.157 -0.729 1.00 0.00 C ATOM 844 CG ARG A 58 -5.512 6.340 -0.208 1.00 0.00 C ATOM 845 CD ARG A 58 -5.705 7.453 -1.250 1.00 0.00 C ATOM 846 NE ARG A 58 -4.731 8.541 -1.039 1.00 0.00 N ATOM 847 CZ ARG A 58 -4.464 9.576 -1.823 1.00 0.00 C ATOM 848 NH1 ARG A 58 -4.990 9.729 -3.023 1.00 0.00 N ATOM 849 NH2 ARG A 58 -3.645 10.496 -1.368 1.00 0.00 N ATOM 0 H ARG A 58 -5.594 2.824 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.103 3.899 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.840 5.570 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.301 4.615 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.489 5.977 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.024 6.757 0.673 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.588 7.043 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.719 7.848 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.191 8.490 -0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.637 9.031 -3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.750 10.546 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.237 10.401 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.417 11.306 -1.944 1.00 0.00 H new ATOM 863 N LYS A 59 -5.123 4.821 2.371 1.00 0.00 N ATOM 864 CA LYS A 59 -5.223 5.236 3.769 1.00 0.00 C ATOM 865 C LYS A 59 -4.445 4.329 4.735 1.00 0.00 C ATOM 866 O LYS A 59 -3.848 4.853 5.667 1.00 0.00 O ATOM 867 CB LYS A 59 -6.713 5.291 4.155 1.00 0.00 C ATOM 868 CG LYS A 59 -7.299 6.708 4.227 1.00 0.00 C ATOM 869 CD LYS A 59 -7.290 7.478 2.896 1.00 0.00 C ATOM 870 CE LYS A 59 -8.620 8.170 2.567 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.700 7.178 2.333 1.00 0.00 N ATOM 0 H LYS A 59 -6.034 4.646 1.947 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.762 6.220 3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.285 4.711 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.843 4.808 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.326 6.643 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.738 7.281 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.500 8.228 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.042 6.787 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.901 8.831 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.499 8.794 1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.464 7.620 1.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.318 6.366 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.076 6.852 3.246 1.00 0.00 H new ATOM 885 N ALA A 60 -4.405 3.007 4.537 1.00 0.00 N ATOM 886 CA ALA A 60 -3.589 2.122 5.375 1.00 0.00 C ATOM 887 C ALA A 60 -2.083 2.373 5.186 1.00 0.00 C ATOM 888 O ALA A 60 -1.334 2.386 6.159 1.00 0.00 O ATOM 889 CB ALA A 60 -3.970 0.670 5.078 1.00 0.00 C ATOM 0 H ALA A 60 -4.928 2.527 3.804 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.794 2.337 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.369 0.003 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.026 0.518 5.301 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.786 0.454 4.026 1.00 0.00 H new ATOM 895 N ILE A 61 -1.652 2.668 3.952 1.00 0.00 N ATOM 896 CA ILE A 61 -0.281 3.107 3.656 1.00 0.00 C ATOM 897 C ILE A 61 0.012 4.455 4.319 1.00 0.00 C ATOM 898 O ILE A 61 0.929 4.554 5.134 1.00 0.00 O ATOM 899 CB ILE A 61 -0.011 3.156 2.127 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.313 1.828 1.407 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.446 3.557 1.887 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.126 1.860 -0.113 1.00 0.00 C ATOM 0 H ILE A 61 -2.248 2.609 3.126 1.00 0.00 H new ATOM 0 HA ILE A 61 0.402 2.369 4.077 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.692 3.895 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.331 1.053 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.341 1.539 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.642 3.593 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.630 4.539 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.106 2.825 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.362 0.881 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.790 2.608 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.908 2.114 -0.347 1.00 0.00 H new ATOM 914 N GLU A 62 -0.793 5.476 4.025 1.00 0.00 N ATOM 915 CA GLU A 62 -0.680 6.801 4.631 1.00 0.00 C ATOM 916 C GLU A 62 -0.688 6.722 6.164 1.00 0.00 C ATOM 917 O GLU A 62 -0.045 7.541 6.800 1.00 0.00 O ATOM 918 CB GLU A 62 -1.819 7.710 4.143 1.00 0.00 C ATOM 919 CG GLU A 62 -1.758 8.006 2.636 1.00 0.00 C ATOM 920 CD GLU A 62 -3.021 8.641 2.049 1.00 0.00 C ATOM 921 OE1 GLU A 62 -4.130 8.332 2.529 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.931 9.328 1.004 1.00 0.00 O ATOM 0 H GLU A 62 -1.553 5.404 3.349 1.00 0.00 H new ATOM 0 HA GLU A 62 0.275 7.226 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.775 7.240 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.785 8.651 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.914 8.669 2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.558 7.075 2.106 1.00 0.00 H new ATOM 929 N ALA A 63 -1.313 5.703 6.772 1.00 0.00 N ATOM 930 CA ALA A 63 -1.383 5.529 8.226 1.00 0.00 C ATOM 931 C ALA A 63 -0.156 4.848 8.855 1.00 0.00 C ATOM 932 O ALA A 63 -0.125 4.673 10.071 1.00 0.00 O ATOM 933 CB ALA A 63 -2.683 4.793 8.578 1.00 0.00 C ATOM 0 H ALA A 63 -1.792 4.965 6.256 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.381 6.527 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.744 4.659 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.537 5.378 8.236 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.693 3.818 8.090 1.00 0.00 H new ATOM 939 N VAL A 64 0.859 4.519 8.054 1.00 0.00 N ATOM 940 CA VAL A 64 2.128 3.947 8.535 1.00 0.00 C ATOM 941 C VAL A 64 3.202 5.015 8.691 1.00 0.00 C ATOM 942 O VAL A 64 4.102 4.895 9.516 1.00 0.00 O ATOM 943 CB VAL A 64 2.625 2.795 7.637 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.552 3.163 6.495 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.389 1.792 8.501 1.00 0.00 C ATOM 0 H VAL A 64 0.828 4.642 7.042 1.00 0.00 H new ATOM 0 HA VAL A 64 1.925 3.528 9.520 1.00 0.00 H new ATOM 0 HB VAL A 64 1.713 2.410 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.826 2.263 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.046 3.859 5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.452 3.632 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.746 0.972 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.239 2.288 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.728 1.399 9.273 1.00 0.00 H new ATOM 955 N SER A 65 3.112 6.085 7.902 1.00 0.00 N ATOM 956 CA SER A 65 3.920 7.287 8.061 1.00 0.00 C ATOM 957 C SER A 65 3.146 8.531 7.576 1.00 0.00 C ATOM 958 O SER A 65 3.461 9.104 6.528 1.00 0.00 O ATOM 959 CB SER A 65 5.326 7.115 7.473 1.00 0.00 C ATOM 960 OG SER A 65 5.772 5.770 7.396 1.00 0.00 O ATOM 0 H SER A 65 2.461 6.139 7.119 1.00 0.00 H new ATOM 0 HA SER A 65 4.103 7.459 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.343 7.548 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.031 7.684 8.079 1.00 0.00 H new ATOM 0 HG SER A 65 6.113 5.590 6.495 1.00 0.00 H new ATOM 966 N PRO A 66 2.088 8.919 8.316 1.00 0.00 N ATOM 967 CA PRO A 66 1.229 10.053 7.990 1.00 0.00 C ATOM 968 C PRO A 66 1.996 11.372 7.943 1.00 0.00 C ATOM 969 O PRO A 66 2.952 11.579 8.687 1.00 0.00 O ATOM 970 CB PRO A 66 0.108 10.059 9.042 1.00 0.00 C ATOM 971 CG PRO A 66 0.646 9.187 10.178 1.00 0.00 C ATOM 972 CD PRO A 66 1.506 8.179 9.426 1.00 0.00 C ATOM 0 HA PRO A 66 0.815 9.949 6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.108 11.070 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.820 9.655 8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.229 9.765 10.895 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.156 8.703 10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.281 7.765 10.071 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.907 7.341 9.069 1.00 0.00 H new ATOM 980 N GLY A 67 1.580 12.258 7.033 1.00 0.00 N ATOM 981 CA GLY A 67 2.242 13.535 6.738 1.00 0.00 C ATOM 982 C GLY A 67 3.443 13.384 5.802 1.00 0.00 C ATOM 983 O GLY A 67 3.602 14.193 4.890 1.00 0.00 O ATOM 0 H GLY A 67 0.748 12.103 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.520 14.216 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.571 13.991 7.672 1.00 0.00 H new ATOM 987 N LEU A 68 4.248 12.336 6.005 1.00 0.00 N ATOM 988 CA LEU A 68 5.409 11.987 5.186 1.00 0.00 C ATOM 989 C LEU A 68 4.976 11.377 3.848 1.00 0.00 C ATOM 990 O LEU A 68 5.360 11.847 2.781 1.00 0.00 O ATOM 991 CB LEU A 68 6.281 11.027 6.015 1.00 0.00 C ATOM 992 CG LEU A 68 7.545 10.537 5.288 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.549 11.667 5.055 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.186 9.447 6.141 1.00 0.00 C ATOM 0 H LEU A 68 4.101 11.683 6.775 1.00 0.00 H new ATOM 0 HA LEU A 68 5.987 12.875 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.577 11.527 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.681 10.163 6.299 1.00 0.00 H new ATOM 0 HG LEU A 68 7.261 10.155 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.425 11.275 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.087 12.444 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.851 12.089 6.014 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.086 9.081 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.448 9.856 7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.483 8.624 6.269 1.00 0.00 H new ATOM 1006 N TYR A 69 4.174 10.315 3.907 1.00 0.00 N ATOM 1007 CA TYR A 69 3.844 9.489 2.746 1.00 0.00 C ATOM 1008 C TYR A 69 2.908 10.168 1.732 1.00 0.00 C ATOM 1009 O TYR A 69 1.690 10.248 1.905 1.00 0.00 O ATOM 1010 CB TYR A 69 3.263 8.152 3.225 1.00 0.00 C ATOM 1011 CG TYR A 69 4.256 7.100 3.686 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.622 7.380 3.916 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.803 5.776 3.793 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.501 6.360 4.326 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.688 4.751 4.116 1.00 0.00 C ATOM 1016 CZ TYR A 69 6.028 5.039 4.449 1.00 0.00 C ATOM 1017 OH TYR A 69 6.830 4.073 4.969 1.00 0.00 O ATOM 0 H TYR A 69 3.731 10.001 4.770 1.00 0.00 H new ATOM 0 HA TYR A 69 4.773 9.324 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.577 8.355 4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.672 7.728 2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.994 8.384 3.776 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.760 5.551 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.533 6.589 4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.346 3.727 4.112 1.00 0.00 H new ATOM 0 HH TYR A 69 7.093 3.449 4.260 1.00 0.00 H new ATOM 1027 N ARG A 70 3.462 10.548 0.579 1.00 0.00 N ATOM 1028 CA ARG A 70 2.762 11.148 -0.564 1.00 0.00 C ATOM 1029 C ARG A 70 2.005 10.125 -1.436 1.00 0.00 C ATOM 1030 O ARG A 70 2.123 10.105 -2.661 1.00 0.00 O ATOM 1031 CB ARG A 70 3.788 11.936 -1.387 1.00 0.00 C ATOM 1032 CG ARG A 70 3.133 13.117 -2.096 1.00 0.00 C ATOM 1033 CD ARG A 70 2.797 14.244 -1.113 1.00 0.00 C ATOM 1034 NE ARG A 70 2.431 15.465 -1.844 1.00 0.00 N ATOM 1035 CZ ARG A 70 1.867 16.553 -1.338 1.00 0.00 C ATOM 1036 NH1 ARG A 70 1.550 16.648 -0.061 1.00 0.00 N ATOM 1037 NH2 ARG A 70 1.612 17.571 -2.132 1.00 0.00 N ATOM 0 H ARG A 70 4.462 10.441 0.406 1.00 0.00 H new ATOM 0 HA ARG A 70 1.985 11.809 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.584 12.295 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.252 11.278 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.801 13.495 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.223 12.784 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.974 13.939 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.653 14.441 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 70 2.632 15.477 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.738 15.869 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.117 17.500 0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.848 17.517 -3.123 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.178 18.414 -1.757 1.00 0.00 H new ATOM 1051 N VAL A 71 1.246 9.257 -0.781 1.00 0.00 N ATOM 1052 CA VAL A 71 0.634 8.065 -1.400 1.00 0.00 C ATOM 1053 C VAL A 71 -0.285 8.455 -2.545 1.00 0.00 C ATOM 1054 O VAL A 71 -1.180 9.287 -2.406 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.140 7.156 -0.425 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.564 5.827 -1.075 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.744 6.848 0.783 1.00 0.00 C ATOM 0 H VAL A 71 1.028 9.353 0.211 1.00 0.00 H new ATOM 0 HA VAL A 71 1.481 7.484 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.043 7.689 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.106 5.223 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.209 6.030 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.322 5.286 -1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.202 6.205 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.650 6.341 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.012 7.778 1.284 1.00 0.00 H new ATOM 1067 N SER A 72 -0.035 7.840 -3.689 1.00 0.00 N ATOM 1068 CA SER A 72 -0.719 8.130 -4.938 1.00 0.00 C ATOM 1069 C SER A 72 -1.018 6.837 -5.703 1.00 0.00 C ATOM 1070 O SER A 72 -0.274 5.868 -5.620 1.00 0.00 O ATOM 1071 CB SER A 72 0.175 9.048 -5.765 1.00 0.00 C ATOM 1072 OG SER A 72 0.513 10.237 -5.063 1.00 0.00 O ATOM 0 H SER A 72 0.668 7.106 -3.777 1.00 0.00 H new ATOM 0 HA SER A 72 -1.672 8.619 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.087 8.517 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.333 9.308 -6.694 1.00 0.00 H new ATOM 0 HG SER A 72 1.096 10.016 -4.307 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.108 6.792 -6.461 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.530 5.609 -7.240 1.00 0.00 C ATOM 1080 C ILE A 73 -1.909 5.660 -8.632 1.00 0.00 C ATOM 1081 O ILE A 73 -2.062 6.640 -9.358 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.076 5.492 -7.278 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.624 5.289 -5.844 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.527 4.334 -8.190 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.153 5.299 -5.729 1.00 0.00 C ATOM 0 H ILE A 73 -2.742 7.585 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.167 4.705 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.478 6.418 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.252 4.339 -5.460 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.221 6.073 -5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.616 4.278 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.167 4.508 -9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.117 3.396 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.441 5.150 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.538 6.257 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.569 4.497 -6.339 1.00 0.00 H new ATOM 1097 N THR A 74 -1.185 4.600 -8.997 1.00 0.00 N ATOM 1098 CA THR A 74 -0.446 4.517 -10.256 1.00 0.00 C ATOM 1099 C THR A 74 -1.330 3.879 -11.329 1.00 0.00 C ATOM 1100 O THR A 74 -1.552 2.675 -11.286 1.00 0.00 O ATOM 1101 CB THR A 74 0.873 3.746 -10.054 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.277 3.743 -8.700 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.990 4.437 -10.825 1.00 0.00 C ATOM 0 H THR A 74 -1.095 3.765 -8.418 1.00 0.00 H new ATOM 0 HA THR A 74 -0.181 5.519 -10.594 1.00 0.00 H new ATOM 0 HB THR A 74 0.698 2.727 -10.398 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.116 3.244 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.923 3.891 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.741 4.458 -11.886 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.107 5.457 -10.460 1.00 0.00 H new ATOM 1111 N SER A 75 -1.815 4.678 -12.287 1.00 0.00 N ATOM 1112 CA SER A 75 -2.596 4.289 -13.498 1.00 0.00 C ATOM 1113 C SER A 75 -3.087 5.462 -14.337 1.00 0.00 C ATOM 1114 O SER A 75 -3.321 5.314 -15.536 1.00 0.00 O ATOM 1115 CB SER A 75 -3.863 3.468 -13.211 1.00 0.00 C ATOM 1116 OG SER A 75 -3.599 2.154 -12.774 1.00 0.00 O ATOM 0 H SER A 75 -1.669 5.687 -12.246 1.00 0.00 H new ATOM 0 HA SER A 75 -1.852 3.697 -14.032 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.454 3.982 -12.453 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.471 3.426 -14.115 1.00 0.00 H new ATOM 0 HG SER A 75 -2.751 2.137 -12.283 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.249 6.621 -13.717 1.00 0.00 N ATOM 1123 CA GLU A 76 -3.635 7.832 -14.436 1.00 0.00 C ATOM 1124 C GLU A 76 -2.422 8.365 -15.195 1.00 0.00 C ATOM 1125 O GLU A 76 -1.630 9.162 -14.703 1.00 0.00 O ATOM 1126 CB GLU A 76 -4.294 8.875 -13.534 1.00 0.00 C ATOM 1127 CG GLU A 76 -5.169 9.798 -14.397 1.00 0.00 C ATOM 1128 CD GLU A 76 -5.681 10.980 -13.576 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -6.199 10.715 -12.469 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -5.548 12.126 -14.053 1.00 0.00 O ATOM 0 H GLU A 76 -3.119 6.752 -12.714 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.411 7.582 -15.160 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.900 8.385 -12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.534 9.456 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.593 10.162 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.012 9.236 -14.800 1.00 0.00 H new ATOM 1137 N VAL A 77 -2.269 7.804 -16.383 1.00 0.00 N ATOM 1138 CA VAL A 77 -1.327 8.225 -17.427 1.00 0.00 C ATOM 1139 C VAL A 77 -2.116 8.611 -18.694 1.00 0.00 C ATOM 1140 O VAL A 77 -3.349 8.593 -18.679 1.00 0.00 O ATOM 1141 CB VAL A 77 -0.245 7.137 -17.659 1.00 0.00 C ATOM 1142 CG1 VAL A 77 0.511 6.815 -16.351 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -0.811 5.828 -18.231 1.00 0.00 C ATOM 0 H VAL A 77 -2.825 6.998 -16.668 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.778 9.113 -17.114 1.00 0.00 H new ATOM 0 HB VAL A 77 0.436 7.562 -18.397 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.263 6.050 -16.544 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.998 7.717 -15.981 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.194 6.451 -15.604 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.002 5.111 -18.369 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.546 5.417 -17.539 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.287 6.026 -19.191 1.00 0.00 H new TER 1153 VAL A 77