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 37 SER OG : rot 146:sc= 0.643 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.57 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.341 X(o=3.6,f=3.1) USER MOD Set 2.2: A 17 CYS SG : rot -55:sc= 1.18 USER MOD Set 2.3: A 65 SER OG : rot 98:sc= 1.75 USER MOD Set 2.4: A 69 TYR OH : rot 5:sc= 1.01 USER MOD Single : A 1 ASN : amide:sc= -0.719 K(o=-0.72,f=-0.12) USER MOD Single : A 1 ASN N :NH3+ 162:sc= -0.143 (180deg=-0.188) USER MOD Single : A 3 SER OG : rot -73:sc= 0.291 USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.766 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -162:sc= -1.54 (180deg=-2.08!) USER MOD Single : A 14 CYS SG : rot -101:sc= 0.2 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 0.211 (180deg=-0.0348) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 52:sc= 1.23 USER MOD Single : A 20 ASN : amide:sc= 0.00975 X(o=0.0098,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.5 USER MOD Single : A 26 SER OG : rot -40:sc= 0.938 USER MOD Single : A 29 GLN : amide:sc= -0.0799 X(o=-0.08,f=-0.085) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.121 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 44:sc= 1.24 USER MOD Single : A 40 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 47 TYR OH : rot 110:sc= 0.0327 USER MOD Single : A 48 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.42) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 149:sc= 1.24 (180deg=1.08) USER MOD Single : A 72 SER OG : rot 67:sc= 0.0862 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -11.283 -13.913 -8.325 1.00 0.00 N ATOM 2 CA ASN A 1 -12.233 -12.792 -8.340 1.00 0.00 C ATOM 3 C ASN A 1 -11.926 -11.747 -7.245 1.00 0.00 C ATOM 4 O ASN A 1 -12.789 -10.951 -6.873 1.00 0.00 O ATOM 5 CB ASN A 1 -13.673 -13.338 -8.261 1.00 0.00 C ATOM 6 CG ASN A 1 -14.006 -14.078 -6.965 1.00 0.00 C ATOM 7 OD1 ASN A 1 -14.362 -15.248 -6.979 1.00 0.00 O ATOM 8 ND2 ASN A 1 -13.947 -13.424 -5.818 1.00 0.00 N ATOM 0 H1 ASN A 1 -11.686 -14.717 -8.847 1.00 0.00 H new ATOM 0 H2 ASN A 1 -10.393 -13.619 -8.775 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.097 -14.197 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.125 -12.254 -9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.369 -12.507 -8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.838 -14.013 -9.101 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -14.198 -13.895 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.651 -12.448 -5.802 1.00 0.00 H new ATOM 15 N ASP A 2 -10.733 -11.819 -6.660 1.00 0.00 N ATOM 16 CA ASP A 2 -10.158 -10.860 -5.723 1.00 0.00 C ATOM 17 C ASP A 2 -9.956 -9.467 -6.341 1.00 0.00 C ATOM 18 O ASP A 2 -9.830 -9.286 -7.552 1.00 0.00 O ATOM 19 CB ASP A 2 -8.843 -11.423 -5.132 1.00 0.00 C ATOM 20 CG ASP A 2 -7.953 -12.172 -6.139 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.404 -13.248 -6.607 1.00 0.00 O ATOM 22 OD2 ASP A 2 -6.828 -11.700 -6.400 1.00 0.00 O ATOM 0 H ASP A 2 -10.102 -12.600 -6.840 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.875 -10.720 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.271 -10.599 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.089 -12.099 -4.313 1.00 0.00 H new ATOM 27 N SER A 3 -9.942 -8.452 -5.482 1.00 0.00 N ATOM 28 CA SER A 3 -9.587 -7.097 -5.857 1.00 0.00 C ATOM 29 C SER A 3 -8.064 -6.915 -5.875 1.00 0.00 C ATOM 30 O SER A 3 -7.322 -7.607 -5.180 1.00 0.00 O ATOM 31 CB SER A 3 -10.169 -6.120 -4.831 1.00 0.00 C ATOM 32 OG SER A 3 -11.476 -6.431 -4.402 1.00 0.00 O ATOM 0 H SER A 3 -10.180 -8.554 -4.496 1.00 0.00 H new ATOM 0 HA SER A 3 -9.987 -6.904 -6.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.512 -6.092 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.170 -5.119 -5.262 1.00 0.00 H new ATOM 0 HG SER A 3 -12.112 -6.233 -5.121 1.00 0.00 H new ATOM 38 N THR A 4 -7.584 -5.897 -6.585 1.00 0.00 N ATOM 39 CA THR A 4 -6.180 -5.485 -6.583 1.00 0.00 C ATOM 40 C THR A 4 -6.118 -4.002 -6.907 1.00 0.00 C ATOM 41 O THR A 4 -7.016 -3.454 -7.545 1.00 0.00 O ATOM 42 CB THR A 4 -5.366 -6.384 -7.530 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.107 -7.578 -6.850 1.00 0.00 O ATOM 44 CG2 THR A 4 -3.987 -5.856 -7.932 1.00 0.00 C ATOM 0 H THR A 4 -8.171 -5.323 -7.190 1.00 0.00 H new ATOM 0 HA THR A 4 -5.720 -5.615 -5.603 1.00 0.00 H new ATOM 0 HB THR A 4 -5.967 -6.465 -8.435 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.819 -7.743 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.504 -6.570 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.098 -4.900 -8.443 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.375 -5.722 -7.040 1.00 0.00 H new ATOM 52 N ALA A 5 -5.062 -3.350 -6.430 1.00 0.00 N ATOM 53 CA ALA A 5 -4.737 -1.948 -6.670 1.00 0.00 C ATOM 54 C ALA A 5 -3.233 -1.697 -6.479 1.00 0.00 C ATOM 55 O ALA A 5 -2.531 -2.493 -5.840 1.00 0.00 O ATOM 56 CB ALA A 5 -5.571 -1.077 -5.726 1.00 0.00 C ATOM 0 H ALA A 5 -4.374 -3.810 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.978 -1.687 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.336 -0.027 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.631 -1.247 -5.915 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.341 -1.337 -4.693 1.00 0.00 H new ATOM 62 N THR A 6 -2.756 -0.568 -7.011 1.00 0.00 N ATOM 63 CA THR A 6 -1.352 -0.150 -6.955 1.00 0.00 C ATOM 64 C THR A 6 -1.254 1.245 -6.376 1.00 0.00 C ATOM 65 O THR A 6 -2.068 2.109 -6.699 1.00 0.00 O ATOM 66 CB THR A 6 -0.733 -0.166 -8.346 1.00 0.00 C ATOM 67 OG1 THR A 6 -0.921 -1.441 -8.907 1.00 0.00 O ATOM 68 CG2 THR A 6 0.764 0.119 -8.309 1.00 0.00 C ATOM 0 H THR A 6 -3.351 0.097 -7.505 1.00 0.00 H new ATOM 0 HA THR A 6 -0.809 -0.849 -6.319 1.00 0.00 H new ATOM 0 HB THR A 6 -1.217 0.612 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.528 -1.465 -9.805 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.164 0.098 -9.323 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.936 1.102 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.264 -0.639 -7.706 1.00 0.00 H new ATOM 76 N PHE A 7 -0.228 1.457 -5.554 1.00 0.00 N ATOM 77 CA PHE A 7 0.009 2.679 -4.798 1.00 0.00 C ATOM 78 C PHE A 7 1.503 3.019 -4.792 1.00 0.00 C ATOM 79 O PHE A 7 2.345 2.146 -4.588 1.00 0.00 O ATOM 80 CB PHE A 7 -0.491 2.517 -3.357 1.00 0.00 C ATOM 81 CG PHE A 7 -1.915 1.976 -3.220 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.184 0.590 -3.292 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.000 2.872 -3.112 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.501 0.116 -3.316 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.319 2.393 -3.169 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.572 1.019 -3.277 1.00 0.00 C ATOM 0 H PHE A 7 0.489 0.750 -5.392 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.538 3.492 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.187 1.849 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.438 3.485 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.364 -0.112 -3.329 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.816 3.929 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.692 -0.946 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.144 3.089 -3.129 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.588 0.657 -3.330 1.00 0.00 H new ATOM 96 N ILE A 8 1.857 4.283 -4.995 1.00 0.00 N ATOM 97 CA ILE A 8 3.230 4.783 -4.981 1.00 0.00 C ATOM 98 C ILE A 8 3.362 5.950 -4.023 1.00 0.00 C ATOM 99 O ILE A 8 2.499 6.823 -3.978 1.00 0.00 O ATOM 100 CB ILE A 8 3.658 5.123 -6.423 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.154 5.461 -6.486 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.822 6.230 -7.082 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.782 5.191 -7.856 1.00 0.00 C ATOM 0 H ILE A 8 1.172 5.016 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 8 3.910 4.016 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 8 3.467 4.221 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.292 6.512 -6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.682 4.879 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.187 6.409 -8.093 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.777 5.922 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.907 7.147 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.840 5.452 -7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.675 4.135 -8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.279 5.794 -8.612 1.00 0.00 H new ATOM 115 N ILE A 9 4.429 5.936 -3.230 1.00 0.00 N ATOM 116 CA ILE A 9 4.652 6.867 -2.138 1.00 0.00 C ATOM 117 C ILE A 9 5.839 7.785 -2.432 1.00 0.00 C ATOM 118 O ILE A 9 6.932 7.296 -2.712 1.00 0.00 O ATOM 119 CB ILE A 9 4.963 6.131 -0.815 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.098 4.888 -0.496 1.00 0.00 C ATOM 121 CG2 ILE A 9 4.824 7.180 0.307 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.478 3.592 -1.207 1.00 0.00 C ATOM 0 H ILE A 9 5.182 5.256 -3.336 1.00 0.00 H new ATOM 0 HA ILE A 9 3.732 7.444 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 9 5.966 5.714 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.138 4.712 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.062 5.121 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.034 6.713 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.531 7.992 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.809 7.577 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.799 2.796 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.407 3.734 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.500 3.318 -0.943 1.00 0.00 H new ATOM 134 N ASP A 10 5.676 9.098 -2.295 1.00 0.00 N ATOM 135 CA ASP A 10 6.833 9.999 -2.216 1.00 0.00 C ATOM 136 C ASP A 10 7.094 10.375 -0.745 1.00 0.00 C ATOM 137 O ASP A 10 6.180 10.760 -0.015 1.00 0.00 O ATOM 138 CB ASP A 10 6.701 11.224 -3.133 1.00 0.00 C ATOM 139 CG ASP A 10 8.026 11.986 -3.191 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.054 11.332 -3.496 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.017 13.188 -2.850 1.00 0.00 O ATOM 0 H ASP A 10 4.769 9.562 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 10 7.707 9.468 -2.593 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.411 10.908 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.912 11.880 -2.765 1.00 0.00 H new ATOM 146 N GLY A 11 8.345 10.227 -0.297 1.00 0.00 N ATOM 147 CA GLY A 11 8.814 10.637 1.032 1.00 0.00 C ATOM 148 C GLY A 11 9.162 9.466 1.943 1.00 0.00 C ATOM 149 O GLY A 11 9.612 9.681 3.061 1.00 0.00 O ATOM 0 H GLY A 11 9.081 9.807 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.693 11.272 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.043 11.242 1.510 1.00 0.00 H new ATOM 153 N MET A 12 8.980 8.232 1.474 1.00 0.00 N ATOM 154 CA MET A 12 9.298 7.033 2.249 1.00 0.00 C ATOM 155 C MET A 12 10.800 6.883 2.538 1.00 0.00 C ATOM 156 O MET A 12 11.644 7.179 1.697 1.00 0.00 O ATOM 157 CB MET A 12 8.693 5.806 1.545 1.00 0.00 C ATOM 158 CG MET A 12 9.598 5.199 0.476 1.00 0.00 C ATOM 159 SD MET A 12 8.783 4.210 -0.777 1.00 0.00 S ATOM 160 CE MET A 12 7.929 3.000 0.227 1.00 0.00 C ATOM 0 H MET A 12 8.608 8.035 0.545 1.00 0.00 H new ATOM 0 HA MET A 12 8.845 7.126 3.236 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.468 5.045 2.292 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.746 6.092 1.086 1.00 0.00 H new ATOM 0 HG2 MET A 12 10.134 6.008 -0.020 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.345 4.579 0.971 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.650 2.146 -0.391 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.585 2.667 1.031 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.032 3.449 0.653 1.00 0.00 H new ATOM 170 N HIS A 13 11.142 6.277 3.674 1.00 0.00 N ATOM 171 CA HIS A 13 12.516 5.938 4.082 1.00 0.00 C ATOM 172 C HIS A 13 13.105 4.736 3.292 1.00 0.00 C ATOM 173 O HIS A 13 13.821 3.894 3.833 1.00 0.00 O ATOM 174 CB HIS A 13 12.570 5.657 5.593 1.00 0.00 C ATOM 175 CG HIS A 13 12.034 6.702 6.550 1.00 0.00 C ATOM 176 ND1 HIS A 13 12.112 6.612 7.922 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.384 7.878 6.271 1.00 0.00 C ATOM 178 CE1 HIS A 13 11.530 7.700 8.451 1.00 0.00 C ATOM 179 NE2 HIS A 13 11.076 8.503 7.481 1.00 0.00 N ATOM 0 H HIS A 13 10.447 5.995 4.366 1.00 0.00 H new ATOM 0 HA HIS A 13 13.135 6.804 3.847 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.024 4.731 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.611 5.471 5.857 1.00 0.00 H new ATOM 0 HD1 HIS A 13 12.539 5.849 8.447 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.151 8.255 5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.441 7.899 9.509 1.00 0.00 H new ATOM 187 N CYS A 14 12.738 4.594 2.016 1.00 0.00 N ATOM 188 CA CYS A 14 13.334 3.657 1.061 1.00 0.00 C ATOM 189 C CYS A 14 13.048 2.190 1.460 1.00 0.00 C ATOM 190 O CYS A 14 11.965 1.869 1.956 1.00 0.00 O ATOM 191 CB CYS A 14 14.825 4.045 0.901 1.00 0.00 C ATOM 192 SG CYS A 14 15.561 3.340 -0.606 1.00 0.00 S ATOM 0 H CYS A 14 11.989 5.150 1.604 1.00 0.00 H new ATOM 0 HA CYS A 14 12.880 3.728 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.915 5.131 0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.384 3.701 1.771 1.00 0.00 H new ATOM 0 HG CYS A 14 16.265 2.292 -0.296 1.00 0.00 H new ATOM 198 N LYS A 15 14.018 1.301 1.235 1.00 0.00 N ATOM 199 CA LYS A 15 13.907 -0.165 1.331 1.00 0.00 C ATOM 200 C LYS A 15 13.545 -0.716 2.727 1.00 0.00 C ATOM 201 O LYS A 15 13.092 -1.850 2.832 1.00 0.00 O ATOM 202 CB LYS A 15 15.159 -0.789 0.701 1.00 0.00 C ATOM 203 CG LYS A 15 15.045 -0.598 -0.823 1.00 0.00 C ATOM 204 CD LYS A 15 16.216 -1.205 -1.593 1.00 0.00 C ATOM 205 CE LYS A 15 15.992 -1.207 -3.121 1.00 0.00 C ATOM 206 NZ LYS A 15 15.481 0.098 -3.616 1.00 0.00 N ATOM 0 H LYS A 15 14.956 1.596 0.966 1.00 0.00 H new ATOM 0 HA LYS A 15 13.031 -0.473 0.760 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.061 -0.310 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.229 -1.847 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.116 -1.050 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.985 0.467 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.124 -0.646 -1.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.377 -2.228 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.930 -1.442 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.285 -1.994 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.474 0.096 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.514 0.249 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.097 0.864 -3.275 1.00 0.00 H new ATOM 220 N SER A 16 13.646 0.083 3.792 1.00 0.00 N ATOM 221 CA SER A 16 13.082 -0.278 5.102 1.00 0.00 C ATOM 222 C SER A 16 11.646 0.247 5.277 1.00 0.00 C ATOM 223 O SER A 16 10.809 -0.539 5.719 1.00 0.00 O ATOM 224 CB SER A 16 13.999 0.211 6.227 1.00 0.00 C ATOM 225 OG SER A 16 14.272 1.592 6.083 1.00 0.00 O ATOM 0 H SER A 16 14.115 0.989 3.776 1.00 0.00 H new ATOM 0 HA SER A 16 13.023 -1.365 5.153 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.529 0.027 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.932 -0.353 6.214 1.00 0.00 H new ATOM 0 HG SER A 16 14.858 1.887 6.811 1.00 0.00 H new ATOM 231 N CYS A 17 11.290 1.486 4.864 1.00 0.00 N ATOM 232 CA CYS A 17 9.889 1.925 4.818 1.00 0.00 C ATOM 233 C CYS A 17 9.075 0.945 3.995 1.00 0.00 C ATOM 234 O CYS A 17 8.092 0.447 4.523 1.00 0.00 O ATOM 235 CB CYS A 17 9.811 3.351 4.272 1.00 0.00 C ATOM 236 SG CYS A 17 9.369 4.486 5.621 1.00 0.00 S ATOM 0 H CYS A 17 11.959 2.194 4.560 1.00 0.00 H new ATOM 0 HA CYS A 17 9.466 1.939 5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.768 3.639 3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.069 3.408 3.475 1.00 0.00 H new ATOM 0 HG CYS A 17 8.268 4.084 6.183 1.00 0.00 H new ATOM 242 N VAL A 18 9.562 0.610 2.800 1.00 0.00 N ATOM 243 CA VAL A 18 9.063 -0.450 1.911 1.00 0.00 C ATOM 244 C VAL A 18 8.558 -1.694 2.681 1.00 0.00 C ATOM 245 O VAL A 18 7.423 -2.110 2.458 1.00 0.00 O ATOM 246 CB VAL A 18 10.165 -0.769 0.868 1.00 0.00 C ATOM 247 CG1 VAL A 18 10.041 -2.112 0.160 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.206 0.313 -0.230 1.00 0.00 C ATOM 0 H VAL A 18 10.363 1.098 2.399 1.00 0.00 H new ATOM 0 HA VAL A 18 8.176 -0.096 1.385 1.00 0.00 H new ATOM 0 HB VAL A 18 11.075 -0.800 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.863 -2.229 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.077 -2.916 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.093 -2.154 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.986 0.070 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.242 0.353 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.419 1.282 0.222 1.00 0.00 H new ATOM 258 N SER A 19 9.313 -2.247 3.640 1.00 0.00 N ATOM 259 CA SER A 19 8.884 -3.469 4.350 1.00 0.00 C ATOM 260 C SER A 19 7.916 -3.229 5.533 1.00 0.00 C ATOM 261 O SER A 19 7.049 -4.062 5.826 1.00 0.00 O ATOM 262 CB SER A 19 10.114 -4.291 4.740 1.00 0.00 C ATOM 263 OG SER A 19 9.742 -5.646 4.899 1.00 0.00 O ATOM 0 H SER A 19 10.214 -1.876 3.942 1.00 0.00 H new ATOM 0 HA SER A 19 8.277 -4.046 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.883 -4.201 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.542 -3.909 5.667 1.00 0.00 H new ATOM 0 HG SER A 19 9.265 -5.950 4.099 1.00 0.00 H new ATOM 269 N ASN A 20 7.937 -2.040 6.152 1.00 0.00 N ATOM 270 CA ASN A 20 6.861 -1.646 7.081 1.00 0.00 C ATOM 271 C ASN A 20 5.505 -1.678 6.363 1.00 0.00 C ATOM 272 O ASN A 20 4.475 -1.987 6.963 1.00 0.00 O ATOM 273 CB ASN A 20 6.997 -0.200 7.551 1.00 0.00 C ATOM 274 CG ASN A 20 8.154 0.126 8.460 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.028 0.232 9.667 1.00 0.00 O ATOM 276 ND2 ASN A 20 9.300 0.408 7.893 1.00 0.00 N ATOM 0 H ASN A 20 8.672 -1.343 6.032 1.00 0.00 H new ATOM 0 HA ASN A 20 6.930 -2.343 7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.072 0.436 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.076 0.075 8.065 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.088 0.717 8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.405 0.319 6.882 1.00 0.00 H new ATOM 283 N ILE A 21 5.513 -1.307 5.075 1.00 0.00 N ATOM 284 CA ILE A 21 4.319 -1.227 4.242 1.00 0.00 C ATOM 285 C ILE A 21 3.785 -2.626 3.940 1.00 0.00 C ATOM 286 O ILE A 21 2.585 -2.819 4.092 1.00 0.00 O ATOM 287 CB ILE A 21 4.559 -0.435 2.940 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.607 0.707 3.071 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.184 0.001 2.398 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.430 1.850 2.081 1.00 0.00 C ATOM 0 H ILE A 21 6.367 -1.051 4.580 1.00 0.00 H new ATOM 0 HA ILE A 21 3.567 -0.677 4.808 1.00 0.00 H new ATOM 0 HB ILE A 21 5.038 -1.079 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.560 1.110 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.603 0.284 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.319 0.565 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.575 -0.881 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.684 0.628 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.205 2.599 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.509 1.466 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.450 2.305 2.222 1.00 0.00 H new ATOM 302 N GLU A 22 4.653 -3.594 3.612 1.00 0.00 N ATOM 303 CA GLU A 22 4.291 -5.013 3.516 1.00 0.00 C ATOM 304 C GLU A 22 3.546 -5.457 4.787 1.00 0.00 C ATOM 305 O GLU A 22 2.437 -5.980 4.718 1.00 0.00 O ATOM 306 CB GLU A 22 5.564 -5.863 3.321 1.00 0.00 C ATOM 307 CG GLU A 22 6.232 -5.678 1.954 1.00 0.00 C ATOM 308 CD GLU A 22 7.573 -6.421 1.849 1.00 0.00 C ATOM 309 OE1 GLU A 22 8.484 -6.119 2.659 1.00 0.00 O ATOM 310 OE2 GLU A 22 7.671 -7.271 0.941 1.00 0.00 O ATOM 0 H GLU A 22 5.635 -3.411 3.404 1.00 0.00 H new ATOM 0 HA GLU A 22 3.633 -5.156 2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.281 -5.610 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.310 -6.915 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.560 -6.035 1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.394 -4.615 1.773 1.00 0.00 H new ATOM 317 N SER A 23 4.121 -5.173 5.955 1.00 0.00 N ATOM 318 CA SER A 23 3.567 -5.597 7.245 1.00 0.00 C ATOM 319 C SER A 23 2.268 -4.891 7.659 1.00 0.00 C ATOM 320 O SER A 23 1.356 -5.540 8.173 1.00 0.00 O ATOM 321 CB SER A 23 4.632 -5.365 8.326 1.00 0.00 C ATOM 322 OG SER A 23 5.773 -6.178 8.117 1.00 0.00 O ATOM 0 H SER A 23 4.987 -4.641 6.036 1.00 0.00 H new ATOM 0 HA SER A 23 3.304 -6.649 7.135 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.927 -4.316 8.327 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.208 -5.578 9.307 1.00 0.00 H new ATOM 0 HG SER A 23 6.432 -6.004 8.821 1.00 0.00 H new ATOM 328 N THR A 24 2.187 -3.571 7.450 1.00 0.00 N ATOM 329 CA THR A 24 1.046 -2.731 7.844 1.00 0.00 C ATOM 330 C THR A 24 -0.161 -3.022 6.972 1.00 0.00 C ATOM 331 O THR A 24 -1.285 -3.107 7.463 1.00 0.00 O ATOM 332 CB THR A 24 1.437 -1.242 7.833 1.00 0.00 C ATOM 333 OG1 THR A 24 2.454 -1.104 8.789 1.00 0.00 O ATOM 334 CG2 THR A 24 0.295 -0.314 8.246 1.00 0.00 C ATOM 0 H THR A 24 2.930 -3.044 6.991 1.00 0.00 H new ATOM 0 HA THR A 24 0.764 -2.977 8.868 1.00 0.00 H new ATOM 0 HB THR A 24 1.729 -0.966 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.312 -1.363 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.638 0.720 8.217 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.542 -0.438 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.027 -0.561 9.258 1.00 0.00 H new ATOM 342 N LEU A 25 0.077 -3.197 5.674 1.00 0.00 N ATOM 343 CA LEU A 25 -0.966 -3.553 4.726 1.00 0.00 C ATOM 344 C LEU A 25 -1.384 -5.003 4.872 1.00 0.00 C ATOM 345 O LEU A 25 -2.581 -5.243 4.933 1.00 0.00 O ATOM 346 CB LEU A 25 -0.508 -3.256 3.299 1.00 0.00 C ATOM 347 CG LEU A 25 -0.523 -1.771 2.866 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.855 -1.462 2.174 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.268 -0.753 3.993 1.00 0.00 C ATOM 0 H LEU A 25 1.001 -3.095 5.254 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.842 -2.942 4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.507 -3.636 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.142 -3.818 2.613 1.00 0.00 H new ATOM 0 HG LEU A 25 0.320 -1.653 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.871 -0.416 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.966 -2.100 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.676 -1.650 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.299 0.257 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.036 -0.859 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.712 -0.936 4.434 1.00 0.00 H new ATOM 361 N SER A 26 -0.462 -5.968 4.976 1.00 0.00 N ATOM 362 CA SER A 26 -0.835 -7.393 5.029 1.00 0.00 C ATOM 363 C SER A 26 -1.478 -7.814 6.369 1.00 0.00 C ATOM 364 O SER A 26 -1.585 -9.005 6.666 1.00 0.00 O ATOM 365 CB SER A 26 0.380 -8.274 4.715 1.00 0.00 C ATOM 366 OG SER A 26 -0.020 -9.628 4.596 1.00 0.00 O ATOM 0 H SER A 26 0.542 -5.793 5.025 1.00 0.00 H new ATOM 0 HA SER A 26 -1.600 -7.539 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.850 -7.943 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.125 -8.175 5.504 1.00 0.00 H new ATOM 0 HG SER A 26 -0.690 -9.833 5.282 1.00 0.00 H new ATOM 372 N ALA A 27 -1.900 -6.846 7.185 1.00 0.00 N ATOM 373 CA ALA A 27 -2.599 -7.051 8.450 1.00 0.00 C ATOM 374 C ALA A 27 -4.081 -6.643 8.368 1.00 0.00 C ATOM 375 O ALA A 27 -4.808 -6.761 9.354 1.00 0.00 O ATOM 376 CB ALA A 27 -1.855 -6.236 9.516 1.00 0.00 C ATOM 0 H ALA A 27 -1.757 -5.859 6.972 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.600 -8.111 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.348 -6.362 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.824 -6.584 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.864 -5.182 9.240 1.00 0.00 H new ATOM 382 N LEU A 28 -4.544 -6.114 7.227 1.00 0.00 N ATOM 383 CA LEU A 28 -5.860 -5.492 7.143 1.00 0.00 C ATOM 384 C LEU A 28 -6.968 -6.546 6.998 1.00 0.00 C ATOM 385 O LEU A 28 -6.928 -7.388 6.103 1.00 0.00 O ATOM 386 CB LEU A 28 -5.881 -4.456 6.005 1.00 0.00 C ATOM 387 CG LEU A 28 -4.852 -3.315 6.165 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.610 -2.591 4.835 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.324 -2.289 7.196 1.00 0.00 C ATOM 0 H LEU A 28 -4.021 -6.108 6.351 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.061 -4.964 8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.695 -4.967 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.879 -4.023 5.942 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.923 -3.775 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.881 -1.794 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.230 -3.299 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.547 -2.164 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.580 -1.497 7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.273 -1.860 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.456 -2.777 8.162 1.00 0.00 H new ATOM 401 N GLN A 29 -8.012 -6.439 7.822 1.00 0.00 N ATOM 402 CA GLN A 29 -9.143 -7.383 7.904 1.00 0.00 C ATOM 403 C GLN A 29 -9.942 -7.573 6.590 1.00 0.00 C ATOM 404 O GLN A 29 -10.858 -8.388 6.552 1.00 0.00 O ATOM 405 CB GLN A 29 -10.043 -6.913 9.069 1.00 0.00 C ATOM 406 CG GLN A 29 -11.070 -7.939 9.588 1.00 0.00 C ATOM 407 CD GLN A 29 -10.430 -9.244 10.060 1.00 0.00 C ATOM 408 OE1 GLN A 29 -9.437 -9.254 10.765 1.00 0.00 O ATOM 409 NE2 GLN A 29 -10.945 -10.392 9.680 1.00 0.00 N ATOM 0 H GLN A 29 -8.102 -5.664 8.479 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.741 -8.380 8.086 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.402 -6.618 9.900 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.581 -6.021 8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.630 -7.498 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.787 -8.159 8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.776 -10.407 9.089 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.513 -11.267 9.976 1.00 0.00 H new ATOM 418 N TYR A 30 -9.599 -6.845 5.518 1.00 0.00 N ATOM 419 CA TYR A 30 -10.126 -6.992 4.153 1.00 0.00 C ATOM 420 C TYR A 30 -9.091 -7.366 3.064 1.00 0.00 C ATOM 421 O TYR A 30 -9.487 -7.500 1.906 1.00 0.00 O ATOM 422 CB TYR A 30 -10.839 -5.682 3.760 1.00 0.00 C ATOM 423 CG TYR A 30 -10.122 -4.371 4.082 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.769 -4.153 3.738 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.833 -3.343 4.738 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.160 -2.920 4.014 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.210 -2.117 5.047 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.865 -1.897 4.683 1.00 0.00 C ATOM 429 OH TYR A 30 -8.264 -0.712 4.989 1.00 0.00 O ATOM 0 H TYR A 30 -8.909 -6.097 5.583 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.805 -7.844 4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.027 -5.709 2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.811 -5.665 4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.202 -4.939 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.868 -3.498 5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.137 -2.751 3.710 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.763 -1.346 5.563 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.905 -0.129 5.448 1.00 0.00 H new ATOM 439 N VAL A 31 -7.786 -7.475 3.354 1.00 0.00 N ATOM 440 CA VAL A 31 -6.764 -7.696 2.303 1.00 0.00 C ATOM 441 C VAL A 31 -6.452 -9.192 2.162 1.00 0.00 C ATOM 442 O VAL A 31 -6.482 -9.947 3.128 1.00 0.00 O ATOM 443 CB VAL A 31 -5.517 -6.793 2.451 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.641 -7.226 3.582 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.598 -6.733 1.219 1.00 0.00 C ATOM 0 H VAL A 31 -7.408 -7.415 4.300 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.191 -7.374 1.353 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.961 -5.811 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.778 -6.563 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.203 -7.184 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.302 -8.247 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.755 -6.074 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.230 -7.733 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.158 -6.349 0.366 1.00 0.00 H new ATOM 455 N SER A 32 -6.196 -9.625 0.933 1.00 0.00 N ATOM 456 CA SER A 32 -5.936 -11.019 0.548 1.00 0.00 C ATOM 457 C SER A 32 -4.426 -11.301 0.403 1.00 0.00 C ATOM 458 O SER A 32 -3.974 -12.422 0.625 1.00 0.00 O ATOM 459 CB SER A 32 -6.677 -11.260 -0.781 1.00 0.00 C ATOM 460 OG SER A 32 -6.824 -12.626 -1.116 1.00 0.00 O ATOM 0 H SER A 32 -6.161 -8.989 0.136 1.00 0.00 H new ATOM 0 HA SER A 32 -6.293 -11.698 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.664 -10.802 -0.723 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.138 -10.755 -1.583 1.00 0.00 H new ATOM 0 HG SER A 32 -7.303 -12.704 -1.967 1.00 0.00 H new ATOM 466 N SER A 33 -3.624 -10.281 0.068 1.00 0.00 N ATOM 467 CA SER A 33 -2.210 -10.363 -0.330 1.00 0.00 C ATOM 468 C SER A 33 -1.620 -8.995 -0.723 1.00 0.00 C ATOM 469 O SER A 33 -2.298 -7.971 -0.781 1.00 0.00 O ATOM 470 CB SER A 33 -2.041 -11.374 -1.479 1.00 0.00 C ATOM 471 OG SER A 33 -1.826 -12.663 -0.947 1.00 0.00 O ATOM 0 H SER A 33 -3.964 -9.319 0.067 1.00 0.00 H new ATOM 0 HA SER A 33 -1.652 -10.705 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.929 -11.374 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.201 -11.085 -2.110 1.00 0.00 H new ATOM 0 HG SER A 33 -2.450 -12.820 -0.208 1.00 0.00 H new ATOM 477 N ILE A 34 -0.329 -8.975 -1.029 1.00 0.00 N ATOM 478 CA ILE A 34 0.495 -7.790 -1.309 1.00 0.00 C ATOM 479 C ILE A 34 1.883 -8.207 -1.805 1.00 0.00 C ATOM 480 O ILE A 34 2.385 -9.258 -1.419 1.00 0.00 O ATOM 481 CB ILE A 34 0.599 -6.870 -0.057 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.396 -5.578 -0.353 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.215 -7.599 1.155 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.226 -4.501 0.720 1.00 0.00 C ATOM 0 H ILE A 34 0.212 -9.837 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 34 0.010 -7.216 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.425 -6.595 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.454 -5.825 -0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.078 -5.176 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.266 -6.916 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.596 -8.457 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.219 -7.940 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.812 -3.622 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.174 -4.226 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.571 -4.886 1.680 1.00 0.00 H new ATOM 496 N VAL A 35 2.482 -7.359 -2.640 1.00 0.00 N ATOM 497 CA VAL A 35 3.896 -7.362 -3.043 1.00 0.00 C ATOM 498 C VAL A 35 4.331 -5.913 -3.132 1.00 0.00 C ATOM 499 O VAL A 35 3.633 -5.096 -3.730 1.00 0.00 O ATOM 500 CB VAL A 35 4.133 -8.036 -4.414 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.512 -7.728 -5.036 1.00 0.00 C ATOM 502 CG2 VAL A 35 4.042 -9.555 -4.245 1.00 0.00 C ATOM 0 H VAL A 35 1.963 -6.601 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 35 4.466 -7.933 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 35 3.369 -7.636 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.600 -8.237 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.612 -6.653 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.299 -8.076 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.208 -10.039 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.800 -9.888 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.053 -9.821 -3.871 1.00 0.00 H new ATOM 512 N VAL A 36 5.499 -5.602 -2.580 1.00 0.00 N ATOM 513 CA VAL A 36 6.079 -4.254 -2.692 1.00 0.00 C ATOM 514 C VAL A 36 7.203 -4.239 -3.734 1.00 0.00 C ATOM 515 O VAL A 36 7.961 -5.196 -3.891 1.00 0.00 O ATOM 516 CB VAL A 36 6.469 -3.693 -1.311 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.732 -4.362 -0.797 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.640 -2.168 -1.311 1.00 0.00 C ATOM 0 H VAL A 36 6.069 -6.261 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 36 5.323 -3.563 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 36 5.640 -3.920 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.990 -3.951 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.564 -5.435 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.550 -4.180 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.914 -1.833 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.424 -1.890 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.703 -1.697 -1.607 1.00 0.00 H new ATOM 528 N SER A 37 7.279 -3.155 -4.500 1.00 0.00 N ATOM 529 CA SER A 37 8.274 -2.947 -5.548 1.00 0.00 C ATOM 530 C SER A 37 9.625 -2.575 -4.924 1.00 0.00 C ATOM 531 O SER A 37 9.948 -1.398 -4.834 1.00 0.00 O ATOM 532 CB SER A 37 7.814 -1.830 -6.504 1.00 0.00 C ATOM 533 OG SER A 37 6.453 -1.916 -6.919 1.00 0.00 O ATOM 0 H SER A 37 6.631 -2.373 -4.406 1.00 0.00 H new ATOM 0 HA SER A 37 8.385 -3.872 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.969 -0.868 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.450 -1.845 -7.389 1.00 0.00 H new ATOM 0 HG SER A 37 6.085 -1.014 -7.024 1.00 0.00 H new ATOM 539 N LEU A 38 10.424 -3.565 -4.512 1.00 0.00 N ATOM 540 CA LEU A 38 11.616 -3.399 -3.674 1.00 0.00 C ATOM 541 C LEU A 38 12.586 -2.354 -4.215 1.00 0.00 C ATOM 542 O LEU A 38 13.108 -1.538 -3.460 1.00 0.00 O ATOM 543 CB LEU A 38 12.285 -4.786 -3.533 1.00 0.00 C ATOM 544 CG LEU A 38 13.185 -5.037 -2.308 1.00 0.00 C ATOM 545 CD1 LEU A 38 14.541 -4.349 -2.436 1.00 0.00 C ATOM 546 CD2 LEU A 38 12.547 -4.564 -1.002 1.00 0.00 C ATOM 0 H LEU A 38 10.252 -4.539 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 38 11.317 -3.019 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.496 -5.538 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.883 -4.960 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 38 13.317 -6.119 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.139 -4.556 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.059 -4.726 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.395 -3.273 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.224 -4.766 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.352 -3.493 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.609 -5.096 -0.842 1.00 0.00 H new ATOM 558 N GLU A 39 12.825 -2.370 -5.524 1.00 0.00 N ATOM 559 CA GLU A 39 13.695 -1.420 -6.190 1.00 0.00 C ATOM 560 C GLU A 39 13.209 0.032 -6.027 1.00 0.00 C ATOM 561 O GLU A 39 14.001 0.936 -5.763 1.00 0.00 O ATOM 562 CB GLU A 39 13.709 -1.790 -7.677 1.00 0.00 C ATOM 563 CG GLU A 39 14.757 -1.028 -8.480 1.00 0.00 C ATOM 564 CD GLU A 39 14.481 -1.244 -9.960 1.00 0.00 C ATOM 565 OE1 GLU A 39 14.914 -2.298 -10.469 1.00 0.00 O ATOM 566 OE2 GLU A 39 13.770 -0.384 -10.523 1.00 0.00 O ATOM 0 H GLU A 39 12.411 -3.055 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 39 14.689 -1.471 -5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.893 -2.860 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.724 -1.595 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.720 0.034 -8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.757 -1.378 -8.226 1.00 0.00 H new ATOM 573 N ASN A 40 11.896 0.197 -6.156 1.00 0.00 N ATOM 574 CA ASN A 40 11.104 1.418 -6.265 1.00 0.00 C ATOM 575 C ASN A 40 10.425 1.816 -4.938 1.00 0.00 C ATOM 576 O ASN A 40 10.738 1.329 -3.852 1.00 0.00 O ATOM 577 CB ASN A 40 10.112 1.239 -7.435 1.00 0.00 C ATOM 578 CG ASN A 40 10.832 1.672 -8.694 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.875 2.856 -9.004 1.00 0.00 O ATOM 580 ND2 ASN A 40 11.493 0.739 -9.339 1.00 0.00 N ATOM 0 H ASN A 40 11.289 -0.622 -6.191 1.00 0.00 H new ATOM 0 HA ASN A 40 11.760 2.262 -6.480 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.790 0.201 -7.512 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.216 1.840 -7.277 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.076 0.987 -10.138 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.424 -0.234 -9.041 1.00 0.00 H new ATOM 587 N ARG A 41 9.544 2.811 -5.055 1.00 0.00 N ATOM 588 CA ARG A 41 8.756 3.419 -3.986 1.00 0.00 C ATOM 589 C ARG A 41 7.252 3.070 -4.022 1.00 0.00 C ATOM 590 O ARG A 41 6.408 3.896 -3.683 1.00 0.00 O ATOM 591 CB ARG A 41 9.036 4.935 -3.996 1.00 0.00 C ATOM 592 CG ARG A 41 8.784 5.633 -5.344 1.00 0.00 C ATOM 593 CD ARG A 41 10.022 6.420 -5.785 1.00 0.00 C ATOM 594 NE ARG A 41 10.024 7.802 -5.256 1.00 0.00 N ATOM 595 CZ ARG A 41 11.054 8.644 -5.259 1.00 0.00 C ATOM 596 NH1 ARG A 41 12.239 8.293 -5.718 1.00 0.00 N ATOM 597 NH2 ARG A 41 10.939 9.868 -4.793 1.00 0.00 N ATOM 0 H ARG A 41 9.351 3.241 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 41 9.072 2.993 -3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.415 5.409 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.074 5.100 -3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.529 4.892 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.931 6.306 -5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.919 5.902 -5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.063 6.450 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 41 9.152 8.142 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.386 7.353 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.009 8.962 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.046 10.190 -4.419 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.743 10.496 -4.806 1.00 0.00 H new ATOM 611 N SER A 42 6.875 1.873 -4.473 1.00 0.00 N ATOM 612 CA SER A 42 5.468 1.490 -4.688 1.00 0.00 C ATOM 613 C SER A 42 5.124 0.083 -4.206 1.00 0.00 C ATOM 614 O SER A 42 6.006 -0.739 -3.998 1.00 0.00 O ATOM 615 CB SER A 42 5.133 1.562 -6.185 1.00 0.00 C ATOM 616 OG SER A 42 6.113 0.948 -7.007 1.00 0.00 O ATOM 0 H SER A 42 7.538 1.133 -4.703 1.00 0.00 H new ATOM 0 HA SER A 42 4.882 2.195 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.170 1.082 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.026 2.607 -6.477 1.00 0.00 H new ATOM 0 HG SER A 42 5.846 1.023 -7.947 1.00 0.00 H new ATOM 622 N ALA A 43 3.825 -0.207 -4.109 1.00 0.00 N ATOM 623 CA ALA A 43 3.249 -1.487 -3.698 1.00 0.00 C ATOM 624 C ALA A 43 2.051 -1.851 -4.585 1.00 0.00 C ATOM 625 O ALA A 43 1.260 -0.989 -4.969 1.00 0.00 O ATOM 626 CB ALA A 43 2.850 -1.392 -2.213 1.00 0.00 C ATOM 0 H ALA A 43 3.108 0.484 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 43 3.984 -2.283 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.418 -2.340 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.733 -1.173 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.116 -0.596 -2.084 1.00 0.00 H new ATOM 632 N ILE A 44 1.920 -3.143 -4.887 1.00 0.00 N ATOM 633 CA ILE A 44 0.765 -3.771 -5.533 1.00 0.00 C ATOM 634 C ILE A 44 0.088 -4.601 -4.440 1.00 0.00 C ATOM 635 O ILE A 44 0.705 -5.502 -3.864 1.00 0.00 O ATOM 636 CB ILE A 44 1.220 -4.623 -6.737 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.936 -3.734 -7.784 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.003 -5.331 -7.361 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.604 -4.523 -8.917 1.00 0.00 C ATOM 0 H ILE A 44 2.656 -3.817 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 44 0.065 -3.043 -5.943 1.00 0.00 H new ATOM 0 HB ILE A 44 1.927 -5.379 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.212 -3.042 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.692 -3.132 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.328 -5.932 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.463 -5.977 -6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.718 -4.586 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.084 -3.831 -9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.353 -5.196 -8.499 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.851 -5.104 -9.449 1.00 0.00 H new ATOM 651 N VAL A 45 -1.151 -4.252 -4.115 1.00 0.00 N ATOM 652 CA VAL A 45 -1.885 -4.737 -2.941 1.00 0.00 C ATOM 653 C VAL A 45 -3.155 -5.435 -3.423 1.00 0.00 C ATOM 654 O VAL A 45 -3.878 -4.883 -4.252 1.00 0.00 O ATOM 655 CB VAL A 45 -2.254 -3.566 -2.016 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.836 -4.111 -0.702 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.065 -2.639 -1.700 1.00 0.00 C ATOM 0 H VAL A 45 -1.696 -3.600 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.261 -5.431 -2.379 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.992 -2.967 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.097 -3.280 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.729 -4.699 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.095 -4.742 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.395 -1.835 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.279 -3.211 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.678 -2.215 -2.627 1.00 0.00 H new ATOM 667 N VAL A 46 -3.421 -6.633 -2.909 1.00 0.00 N ATOM 668 CA VAL A 46 -4.449 -7.559 -3.397 1.00 0.00 C ATOM 669 C VAL A 46 -5.467 -7.759 -2.273 1.00 0.00 C ATOM 670 O VAL A 46 -5.129 -8.336 -1.252 1.00 0.00 O ATOM 671 CB VAL A 46 -3.774 -8.904 -3.773 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.736 -9.963 -4.320 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.578 -8.734 -4.733 1.00 0.00 C ATOM 0 H VAL A 46 -2.908 -7.004 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.953 -7.166 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.401 -9.274 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.181 -10.871 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.495 -10.187 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.217 -9.586 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.150 -9.711 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.917 -8.266 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.821 -8.105 -4.264 1.00 0.00 H new ATOM 683 N TYR A 47 -6.695 -7.265 -2.404 1.00 0.00 N ATOM 684 CA TYR A 47 -7.744 -7.278 -1.360 1.00 0.00 C ATOM 685 C TYR A 47 -9.012 -8.014 -1.846 1.00 0.00 C ATOM 686 O TYR A 47 -8.925 -8.735 -2.837 1.00 0.00 O ATOM 687 CB TYR A 47 -7.961 -5.843 -0.834 1.00 0.00 C ATOM 688 CG TYR A 47 -8.550 -4.839 -1.813 1.00 0.00 C ATOM 689 CD1 TYR A 47 -7.769 -4.364 -2.886 1.00 0.00 C ATOM 690 CD2 TYR A 47 -9.856 -4.340 -1.638 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.288 -3.424 -3.791 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.382 -3.388 -2.537 1.00 0.00 C ATOM 693 CZ TYR A 47 -9.600 -2.931 -3.623 1.00 0.00 C ATOM 694 OH TYR A 47 -10.104 -2.040 -4.521 1.00 0.00 O ATOM 0 H TYR A 47 -7.010 -6.825 -3.269 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.423 -7.864 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.616 -5.895 0.036 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.001 -5.459 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.760 -4.727 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.458 -4.688 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.683 -3.078 -4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.383 -3.008 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.803 -2.473 -5.054 1.00 0.00 H new ATOM 704 N ASN A 48 -10.189 -7.913 -1.207 1.00 0.00 N ATOM 705 CA ASN A 48 -11.378 -8.607 -1.747 1.00 0.00 C ATOM 706 C ASN A 48 -12.696 -7.842 -1.548 1.00 0.00 C ATOM 707 O ASN A 48 -13.067 -7.506 -0.425 1.00 0.00 O ATOM 708 CB ASN A 48 -11.434 -10.047 -1.204 1.00 0.00 C ATOM 709 CG ASN A 48 -12.237 -10.962 -2.125 1.00 0.00 C ATOM 710 OD1 ASN A 48 -13.427 -10.782 -2.328 1.00 0.00 O ATOM 711 ND2 ASN A 48 -11.598 -11.944 -2.735 1.00 0.00 N ATOM 0 H ASN A 48 -10.345 -7.381 -0.351 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.263 -8.648 -2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.421 -10.436 -1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.882 -10.045 -0.210 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.099 -12.556 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.603 -12.090 -2.562 1.00 0.00 H new ATOM 718 N ALA A 49 -13.388 -7.588 -2.665 1.00 0.00 N ATOM 719 CA ALA A 49 -14.526 -6.683 -2.817 1.00 0.00 C ATOM 720 C ALA A 49 -14.971 -6.606 -4.291 1.00 0.00 C ATOM 721 O ALA A 49 -14.135 -6.475 -5.183 1.00 0.00 O ATOM 722 CB ALA A 49 -14.084 -5.282 -2.358 1.00 0.00 C ATOM 0 H ALA A 49 -13.148 -8.043 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.362 -7.050 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.916 -4.586 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.772 -5.323 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.250 -4.944 -2.973 1.00 0.00 H new ATOM 728 N SER A 50 -16.278 -6.614 -4.555 1.00 0.00 N ATOM 729 CA SER A 50 -16.831 -6.285 -5.879 1.00 0.00 C ATOM 730 C SER A 50 -16.880 -4.761 -6.074 1.00 0.00 C ATOM 731 O SER A 50 -16.525 -4.228 -7.125 1.00 0.00 O ATOM 732 CB SER A 50 -18.242 -6.879 -6.001 1.00 0.00 C ATOM 733 OG SER A 50 -19.049 -6.557 -4.871 1.00 0.00 O ATOM 0 H SER A 50 -16.987 -6.848 -3.860 1.00 0.00 H new ATOM 0 HA SER A 50 -16.190 -6.710 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.718 -6.503 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.173 -7.962 -6.102 1.00 0.00 H new ATOM 0 HG SER A 50 -19.940 -6.949 -4.983 1.00 0.00 H new ATOM 739 N SER A 51 -17.255 -4.028 -5.029 1.00 0.00 N ATOM 740 CA SER A 51 -17.182 -2.569 -4.968 1.00 0.00 C ATOM 741 C SER A 51 -15.722 -2.098 -4.889 1.00 0.00 C ATOM 742 O SER A 51 -15.247 -1.733 -3.814 1.00 0.00 O ATOM 743 CB SER A 51 -17.991 -2.045 -3.771 1.00 0.00 C ATOM 744 OG SER A 51 -19.334 -2.489 -3.833 1.00 0.00 O ATOM 0 H SER A 51 -17.629 -4.444 -4.176 1.00 0.00 H new ATOM 0 HA SER A 51 -17.616 -2.163 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 51 -17.534 -2.385 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 51 -17.965 -0.955 -3.759 1.00 0.00 H new ATOM 0 HG SER A 51 -19.828 -2.144 -3.060 1.00 0.00 H new ATOM 750 N VAL A 52 -15.005 -2.129 -6.018 1.00 0.00 N ATOM 751 CA VAL A 52 -13.601 -1.683 -6.150 1.00 0.00 C ATOM 752 C VAL A 52 -13.380 -0.338 -5.438 1.00 0.00 C ATOM 753 O VAL A 52 -13.846 0.706 -5.892 1.00 0.00 O ATOM 754 CB VAL A 52 -13.164 -1.585 -7.634 1.00 0.00 C ATOM 755 CG1 VAL A 52 -11.706 -1.107 -7.779 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.291 -2.951 -8.332 1.00 0.00 C ATOM 0 H VAL A 52 -15.392 -2.475 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.979 -2.438 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.826 -0.856 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.444 -1.054 -8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.600 -0.120 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.041 -1.809 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.979 -2.858 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.656 -3.678 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.328 -3.285 -8.292 1.00 0.00 H new ATOM 766 N THR A 53 -12.668 -0.393 -4.302 1.00 0.00 N ATOM 767 CA THR A 53 -12.463 0.724 -3.361 1.00 0.00 C ATOM 768 C THR A 53 -10.992 0.763 -2.916 1.00 0.00 C ATOM 769 O THR A 53 -10.662 0.225 -1.861 1.00 0.00 O ATOM 770 CB THR A 53 -13.418 0.598 -2.160 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.744 0.578 -2.625 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.326 1.795 -1.210 1.00 0.00 C ATOM 0 H THR A 53 -12.201 -1.248 -4.000 1.00 0.00 H new ATOM 0 HA THR A 53 -12.692 1.666 -3.860 1.00 0.00 H new ATOM 0 HB THR A 53 -13.136 -0.314 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.994 -0.340 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.020 1.656 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.310 1.876 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.583 2.707 -1.748 1.00 0.00 H new ATOM 780 N PRO A 54 -10.091 1.393 -3.695 1.00 0.00 N ATOM 781 CA PRO A 54 -8.658 1.443 -3.396 1.00 0.00 C ATOM 782 C PRO A 54 -8.283 2.471 -2.313 1.00 0.00 C ATOM 783 O PRO A 54 -7.190 2.388 -1.757 1.00 0.00 O ATOM 784 CB PRO A 54 -8.001 1.779 -4.739 1.00 0.00 C ATOM 785 CG PRO A 54 -9.050 2.646 -5.435 1.00 0.00 C ATOM 786 CD PRO A 54 -10.361 2.000 -4.992 1.00 0.00 C ATOM 0 HA PRO A 54 -8.318 0.496 -2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.061 2.314 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.776 0.880 -5.313 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.986 3.689 -5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.936 2.630 -6.519 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.156 2.742 -4.918 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.690 1.251 -5.712 1.00 0.00 H new ATOM 794 N GLU A 55 -9.165 3.428 -1.987 1.00 0.00 N ATOM 795 CA GLU A 55 -8.913 4.478 -0.986 1.00 0.00 C ATOM 796 C GLU A 55 -8.552 3.925 0.403 1.00 0.00 C ATOM 797 O GLU A 55 -7.785 4.552 1.128 1.00 0.00 O ATOM 798 CB GLU A 55 -10.158 5.381 -0.866 1.00 0.00 C ATOM 799 CG GLU A 55 -10.108 6.624 -1.768 1.00 0.00 C ATOM 800 CD GLU A 55 -9.177 7.698 -1.204 1.00 0.00 C ATOM 801 OE1 GLU A 55 -9.449 8.192 -0.087 1.00 0.00 O ATOM 802 OE2 GLU A 55 -8.162 8.016 -1.856 1.00 0.00 O ATOM 0 H GLU A 55 -10.087 3.496 -2.417 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.050 5.044 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.044 4.798 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.267 5.699 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.771 6.337 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.112 7.034 -1.878 1.00 0.00 H new ATOM 809 N SER A 56 -9.061 2.761 0.802 1.00 0.00 N ATOM 810 CA SER A 56 -8.783 2.189 2.128 1.00 0.00 C ATOM 811 C SER A 56 -7.336 1.698 2.273 1.00 0.00 C ATOM 812 O SER A 56 -6.699 1.894 3.310 1.00 0.00 O ATOM 813 CB SER A 56 -9.756 1.032 2.365 1.00 0.00 C ATOM 814 OG SER A 56 -9.650 0.073 1.327 1.00 0.00 O ATOM 0 H SER A 56 -9.674 2.187 0.223 1.00 0.00 H new ATOM 0 HA SER A 56 -8.918 2.973 2.873 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.544 0.562 3.325 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.777 1.412 2.414 1.00 0.00 H new ATOM 0 HG SER A 56 -10.278 -0.661 1.494 1.00 0.00 H new ATOM 820 N LEU A 57 -6.796 1.097 1.210 1.00 0.00 N ATOM 821 CA LEU A 57 -5.401 0.668 1.159 1.00 0.00 C ATOM 822 C LEU A 57 -4.443 1.868 1.094 1.00 0.00 C ATOM 823 O LEU A 57 -3.479 1.893 1.854 1.00 0.00 O ATOM 824 CB LEU A 57 -5.191 -0.265 -0.035 1.00 0.00 C ATOM 825 CG LEU A 57 -6.065 -1.537 -0.098 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.649 -2.334 -1.337 1.00 0.00 C ATOM 827 CD2 LEU A 57 -5.963 -2.435 1.140 1.00 0.00 C ATOM 0 H LEU A 57 -7.319 0.894 0.358 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.174 0.126 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.362 0.308 -0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.145 -0.573 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.104 -1.212 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.252 -3.240 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.803 -1.727 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.596 -2.604 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.608 -3.305 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.931 -2.764 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.277 -1.876 2.022 1.00 0.00 H new ATOM 839 N ARG A 58 -4.732 2.887 0.270 1.00 0.00 N ATOM 840 CA ARG A 58 -3.989 4.150 0.216 1.00 0.00 C ATOM 841 C ARG A 58 -3.829 4.751 1.627 1.00 0.00 C ATOM 842 O ARG A 58 -2.710 4.988 2.086 1.00 0.00 O ATOM 843 CB ARG A 58 -4.748 5.099 -0.730 1.00 0.00 C ATOM 844 CG ARG A 58 -3.958 6.359 -1.076 1.00 0.00 C ATOM 845 CD ARG A 58 -4.852 7.583 -1.327 1.00 0.00 C ATOM 846 NE ARG A 58 -4.937 8.435 -0.132 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.566 9.590 -0.019 1.00 0.00 C ATOM 848 NH1 ARG A 58 -6.520 9.944 -0.849 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.235 10.396 0.966 1.00 0.00 N ATOM 0 H ARG A 58 -5.507 2.852 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.980 3.987 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.992 4.567 -1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.692 5.385 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.267 6.582 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.355 6.170 -1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.455 8.161 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.851 7.254 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.457 8.096 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.794 9.319 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.987 10.844 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.505 10.124 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.708 11.293 1.072 1.00 0.00 H new ATOM 863 N LYS A 59 -4.946 4.864 2.355 1.00 0.00 N ATOM 864 CA LYS A 59 -5.005 5.289 3.757 1.00 0.00 C ATOM 865 C LYS A 59 -4.180 4.404 4.710 1.00 0.00 C ATOM 866 O LYS A 59 -3.569 4.935 5.634 1.00 0.00 O ATOM 867 CB LYS A 59 -6.487 5.319 4.187 1.00 0.00 C ATOM 868 CG LYS A 59 -7.142 6.709 4.131 1.00 0.00 C ATOM 869 CD LYS A 59 -7.009 7.415 2.775 1.00 0.00 C ATOM 870 CE LYS A 59 -7.698 8.778 2.763 1.00 0.00 C ATOM 871 NZ LYS A 59 -9.149 8.639 2.526 1.00 0.00 N ATOM 0 H LYS A 59 -5.867 4.654 1.969 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.555 6.279 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.051 4.640 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.564 4.936 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.200 6.609 4.373 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.697 7.339 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.953 7.542 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.439 6.786 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.529 9.283 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.258 9.404 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.655 9.406 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.341 8.691 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.474 7.722 2.893 1.00 0.00 H new ATOM 885 N ALA A 60 -4.130 3.083 4.507 1.00 0.00 N ATOM 886 CA ALA A 60 -3.321 2.187 5.335 1.00 0.00 C ATOM 887 C ALA A 60 -1.818 2.408 5.107 1.00 0.00 C ATOM 888 O ALA A 60 -1.040 2.333 6.053 1.00 0.00 O ATOM 889 CB ALA A 60 -3.740 0.742 5.055 1.00 0.00 C ATOM 0 H ALA A 60 -4.647 2.608 3.767 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.499 2.408 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.144 0.065 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.795 0.616 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.580 0.515 4.001 1.00 0.00 H new ATOM 895 N ILE A 61 -1.413 2.758 3.879 1.00 0.00 N ATOM 896 CA ILE A 61 -0.027 3.137 3.582 1.00 0.00 C ATOM 897 C ILE A 61 0.308 4.469 4.249 1.00 0.00 C ATOM 898 O ILE A 61 1.270 4.527 5.011 1.00 0.00 O ATOM 899 CB ILE A 61 0.260 3.155 2.058 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.073 1.825 1.356 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.737 3.500 1.826 1.00 0.00 C ATOM 902 CD1 ILE A 61 0.095 1.849 -0.163 1.00 0.00 C ATOM 0 H ILE A 61 -2.033 2.786 3.069 1.00 0.00 H new ATOM 0 HA ILE A 61 0.631 2.375 4.000 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.393 3.911 1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.565 1.043 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.102 1.553 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.944 3.514 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.952 4.481 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.366 2.751 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.161 0.872 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.564 2.605 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.129 2.087 -0.411 1.00 0.00 H new ATOM 914 N GLU A 62 -0.511 5.507 4.053 1.00 0.00 N ATOM 915 CA GLU A 62 -0.373 6.777 4.769 1.00 0.00 C ATOM 916 C GLU A 62 -0.240 6.555 6.280 1.00 0.00 C ATOM 917 O GLU A 62 0.569 7.221 6.909 1.00 0.00 O ATOM 918 CB GLU A 62 -1.574 7.690 4.475 1.00 0.00 C ATOM 919 CG GLU A 62 -1.502 8.311 3.078 1.00 0.00 C ATOM 920 CD GLU A 62 -2.826 8.933 2.661 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.718 8.152 2.269 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.993 10.168 2.650 1.00 0.00 O ATOM 0 H GLU A 62 -1.288 5.489 3.393 1.00 0.00 H new ATOM 0 HA GLU A 62 0.538 7.260 4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.496 7.116 4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.616 8.483 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.722 9.072 3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.218 7.546 2.356 1.00 0.00 H new ATOM 929 N ALA A 63 -0.923 5.563 6.862 1.00 0.00 N ATOM 930 CA ALA A 63 -0.911 5.290 8.301 1.00 0.00 C ATOM 931 C ALA A 63 0.359 4.578 8.812 1.00 0.00 C ATOM 932 O ALA A 63 0.431 4.263 9.997 1.00 0.00 O ATOM 933 CB ALA A 63 -2.194 4.525 8.657 1.00 0.00 C ATOM 0 H ALA A 63 -1.510 4.916 6.335 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.885 6.248 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.205 4.311 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.062 5.131 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.226 3.589 8.099 1.00 0.00 H new ATOM 939 N VAL A 64 1.358 4.373 7.949 1.00 0.00 N ATOM 940 CA VAL A 64 2.658 3.768 8.289 1.00 0.00 C ATOM 941 C VAL A 64 3.737 4.827 8.476 1.00 0.00 C ATOM 942 O VAL A 64 4.707 4.627 9.201 1.00 0.00 O ATOM 943 CB VAL A 64 3.098 2.705 7.260 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.964 3.156 6.098 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.920 1.635 7.981 1.00 0.00 C ATOM 0 H VAL A 64 1.287 4.629 6.964 1.00 0.00 H new ATOM 0 HA VAL A 64 2.521 3.255 9.241 1.00 0.00 H new ATOM 0 HB VAL A 64 2.151 2.375 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.192 2.301 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.431 3.909 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.892 3.582 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.238 0.877 7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.797 2.095 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.311 1.170 8.756 1.00 0.00 H new ATOM 955 N SER A 65 3.582 5.977 7.819 1.00 0.00 N ATOM 956 CA SER A 65 4.365 7.177 8.094 1.00 0.00 C ATOM 957 C SER A 65 3.530 8.439 7.780 1.00 0.00 C ATOM 958 O SER A 65 3.794 9.145 6.800 1.00 0.00 O ATOM 959 CB SER A 65 5.766 7.126 7.461 1.00 0.00 C ATOM 960 OG SER A 65 6.215 5.826 7.098 1.00 0.00 O ATOM 0 H SER A 65 2.899 6.100 7.071 1.00 0.00 H new ATOM 0 HA SER A 65 4.586 7.229 9.160 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.770 7.757 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.481 7.558 8.161 1.00 0.00 H new ATOM 0 HG SER A 65 6.058 5.681 6.142 1.00 0.00 H new ATOM 966 N PRO A 66 2.472 8.698 8.580 1.00 0.00 N ATOM 967 CA PRO A 66 1.518 9.780 8.351 1.00 0.00 C ATOM 968 C PRO A 66 2.163 11.162 8.432 1.00 0.00 C ATOM 969 O PRO A 66 3.084 11.393 9.212 1.00 0.00 O ATOM 970 CB PRO A 66 0.400 9.597 9.387 1.00 0.00 C ATOM 971 CG PRO A 66 1.029 8.708 10.461 1.00 0.00 C ATOM 972 CD PRO A 66 1.964 7.834 9.637 1.00 0.00 C ATOM 0 HA PRO A 66 1.120 9.729 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.078 10.553 9.799 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.479 9.128 8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.567 9.290 11.209 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.282 8.119 10.993 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.777 7.443 10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.435 6.976 9.222 1.00 0.00 H new ATOM 980 N GLY A 67 1.681 12.078 7.585 1.00 0.00 N ATOM 981 CA GLY A 67 2.228 13.431 7.415 1.00 0.00 C ATOM 982 C GLY A 67 3.451 13.481 6.496 1.00 0.00 C ATOM 983 O GLY A 67 3.701 14.511 5.876 1.00 0.00 O ATOM 0 H GLY A 67 0.879 11.895 6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.452 14.081 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.500 13.830 8.392 1.00 0.00 H new ATOM 987 N LEU A 68 4.185 12.370 6.372 1.00 0.00 N ATOM 988 CA LEU A 68 5.337 12.212 5.481 1.00 0.00 C ATOM 989 C LEU A 68 4.931 11.644 4.113 1.00 0.00 C ATOM 990 O LEU A 68 5.384 12.132 3.080 1.00 0.00 O ATOM 991 CB LEU A 68 6.345 11.305 6.206 1.00 0.00 C ATOM 992 CG LEU A 68 7.600 10.948 5.396 1.00 0.00 C ATOM 993 CD1 LEU A 68 8.412 12.189 5.024 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.454 10.015 6.249 1.00 0.00 C ATOM 0 H LEU A 68 3.985 11.526 6.909 1.00 0.00 H new ATOM 0 HA LEU A 68 5.787 13.181 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.654 11.796 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.840 10.382 6.491 1.00 0.00 H new ATOM 0 HG LEU A 68 7.298 10.470 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.291 11.891 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.798 12.859 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.727 12.703 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.355 9.743 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.732 10.520 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.886 9.115 6.483 1.00 0.00 H new ATOM 1006 N TYR A 69 4.088 10.612 4.112 1.00 0.00 N ATOM 1007 CA TYR A 69 3.737 9.774 2.958 1.00 0.00 C ATOM 1008 C TYR A 69 2.783 10.398 1.920 1.00 0.00 C ATOM 1009 O TYR A 69 1.569 10.476 2.113 1.00 0.00 O ATOM 1010 CB TYR A 69 3.145 8.467 3.507 1.00 0.00 C ATOM 1011 CG TYR A 69 4.131 7.344 3.741 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.492 7.569 4.030 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.668 6.029 3.598 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.367 6.480 4.179 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.550 4.950 3.633 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.901 5.166 3.963 1.00 0.00 C ATOM 1017 OH TYR A 69 6.719 4.099 4.134 1.00 0.00 O ATOM 0 H TYR A 69 3.604 10.319 4.961 1.00 0.00 H new ATOM 0 HA TYR A 69 4.657 9.624 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.642 8.686 4.449 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.382 8.116 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.862 8.578 4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.612 5.849 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.396 6.649 4.459 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.199 3.954 3.408 1.00 0.00 H new ATOM 0 HH TYR A 69 7.584 4.402 4.481 1.00 0.00 H new ATOM 1027 N ARG A 70 3.317 10.710 0.736 1.00 0.00 N ATOM 1028 CA ARG A 70 2.538 11.102 -0.445 1.00 0.00 C ATOM 1029 C ARG A 70 2.089 9.870 -1.241 1.00 0.00 C ATOM 1030 O ARG A 70 2.743 9.485 -2.205 1.00 0.00 O ATOM 1031 CB ARG A 70 3.379 12.015 -1.341 1.00 0.00 C ATOM 1032 CG ARG A 70 3.484 13.465 -0.852 1.00 0.00 C ATOM 1033 CD ARG A 70 4.591 13.727 0.181 1.00 0.00 C ATOM 1034 NE ARG A 70 5.953 13.773 -0.394 1.00 0.00 N ATOM 1035 CZ ARG A 70 7.074 13.895 0.311 1.00 0.00 C ATOM 1036 NH1 ARG A 70 7.081 13.814 1.625 1.00 0.00 N ATOM 1037 NH2 ARG A 70 8.220 14.100 -0.295 1.00 0.00 N ATOM 0 H ARG A 70 4.323 10.697 0.567 1.00 0.00 H new ATOM 0 HA ARG A 70 1.650 11.636 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.383 11.599 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.951 12.013 -2.344 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.652 14.111 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.527 13.756 -0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.388 14.673 0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.555 12.947 0.942 1.00 0.00 H new ATOM 0 HE ARG A 70 6.039 13.706 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.210 13.653 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.958 13.912 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.254 14.167 -1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.076 14.193 0.251 1.00 0.00 H new ATOM 1051 N VAL A 71 1.006 9.232 -0.810 1.00 0.00 N ATOM 1052 CA VAL A 71 0.501 7.970 -1.405 1.00 0.00 C ATOM 1053 C VAL A 71 -0.450 8.212 -2.583 1.00 0.00 C ATOM 1054 O VAL A 71 -1.473 8.881 -2.454 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.177 7.042 -0.378 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.460 5.656 -0.982 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.740 6.864 0.838 1.00 0.00 C ATOM 0 H VAL A 71 0.439 9.568 -0.031 1.00 0.00 H new ATOM 0 HA VAL A 71 1.394 7.466 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.121 7.501 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.938 5.024 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.120 5.762 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.478 5.198 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.259 6.208 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.685 6.423 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.929 7.835 1.296 1.00 0.00 H new ATOM 1067 N SER A 72 -0.119 7.616 -3.730 1.00 0.00 N ATOM 1068 CA SER A 72 -0.758 7.898 -5.019 1.00 0.00 C ATOM 1069 C SER A 72 -1.159 6.609 -5.753 1.00 0.00 C ATOM 1070 O SER A 72 -0.353 5.697 -5.903 1.00 0.00 O ATOM 1071 CB SER A 72 0.207 8.682 -5.927 1.00 0.00 C ATOM 1072 OG SER A 72 1.208 9.417 -5.235 1.00 0.00 O ATOM 0 H SER A 72 0.615 6.910 -3.791 1.00 0.00 H new ATOM 0 HA SER A 72 -1.654 8.482 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.694 7.983 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.372 9.372 -6.540 1.00 0.00 H new ATOM 0 HG SER A 72 1.826 8.795 -4.797 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.392 6.516 -6.253 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.949 5.293 -6.867 1.00 0.00 C ATOM 1080 C ILE A 73 -2.568 5.207 -8.359 1.00 0.00 C ATOM 1081 O ILE A 73 -3.333 5.601 -9.243 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.481 5.211 -6.618 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.851 5.454 -5.131 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -5.004 3.830 -7.064 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.353 5.541 -4.839 1.00 0.00 C ATOM 0 H ILE A 73 -3.048 7.297 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.509 4.417 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.951 6.001 -7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.426 4.649 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.379 6.380 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.078 3.774 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.802 3.690 -8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.502 3.049 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.507 5.712 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.787 6.365 -5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.835 4.608 -5.130 1.00 0.00 H new ATOM 1097 N THR A 74 -1.361 4.702 -8.642 1.00 0.00 N ATOM 1098 CA THR A 74 -0.811 4.555 -9.999 1.00 0.00 C ATOM 1099 C THR A 74 -1.387 3.326 -10.707 1.00 0.00 C ATOM 1100 O THR A 74 -0.774 2.265 -10.772 1.00 0.00 O ATOM 1101 CB THR A 74 0.722 4.651 -9.971 1.00 0.00 C ATOM 1102 OG1 THR A 74 1.192 4.475 -11.275 1.00 0.00 O ATOM 1103 CG2 THR A 74 1.466 3.646 -9.091 1.00 0.00 C ATOM 0 H THR A 74 -0.722 4.376 -7.917 1.00 0.00 H new ATOM 0 HA THR A 74 -1.134 5.389 -10.622 1.00 0.00 H new ATOM 0 HB THR A 74 0.924 5.630 -9.536 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.170 4.534 -11.281 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.539 3.824 -9.163 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.147 3.763 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.243 2.633 -9.427 1.00 0.00 H new ATOM 1111 N SER A 75 -2.589 3.476 -11.250 1.00 0.00 N ATOM 1112 CA SER A 75 -3.254 2.457 -12.082 1.00 0.00 C ATOM 1113 C SER A 75 -2.961 2.634 -13.578 1.00 0.00 C ATOM 1114 O SER A 75 -2.529 3.711 -13.988 1.00 0.00 O ATOM 1115 CB SER A 75 -4.771 2.576 -11.900 1.00 0.00 C ATOM 1116 OG SER A 75 -5.115 2.423 -10.535 1.00 0.00 O ATOM 0 H SER A 75 -3.146 4.321 -11.128 1.00 0.00 H new ATOM 0 HA SER A 75 -2.873 1.487 -11.762 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.113 3.546 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.277 1.817 -12.497 1.00 0.00 H new ATOM 0 HG SER A 75 -6.086 2.503 -10.431 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.230 1.612 -14.405 1.00 0.00 N ATOM 1123 CA GLU A 76 -3.267 1.821 -15.849 1.00 0.00 C ATOM 1124 C GLU A 76 -4.562 2.588 -16.127 1.00 0.00 C ATOM 1125 O GLU A 76 -5.652 2.140 -15.779 1.00 0.00 O ATOM 1126 CB GLU A 76 -3.204 0.514 -16.659 1.00 0.00 C ATOM 1127 CG GLU A 76 -3.037 0.826 -18.157 1.00 0.00 C ATOM 1128 CD GLU A 76 -3.022 -0.431 -19.030 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -2.176 -1.308 -18.749 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -3.838 -0.492 -19.975 1.00 0.00 O ATOM 0 H GLU A 76 -3.420 0.657 -14.102 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.385 2.377 -16.167 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.371 -0.098 -16.312 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.113 -0.066 -16.500 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.850 1.477 -18.480 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.109 1.377 -18.307 1.00 0.00 H new ATOM 1137 N VAL A 77 -4.407 3.767 -16.711 1.00 0.00 N ATOM 1138 CA VAL A 77 -5.467 4.662 -17.187 1.00 0.00 C ATOM 1139 C VAL A 77 -5.020 5.257 -18.525 1.00 0.00 C ATOM 1140 O VAL A 77 -3.840 5.154 -18.869 1.00 0.00 O ATOM 1141 CB VAL A 77 -5.835 5.752 -16.142 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -6.197 5.174 -14.759 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -4.729 6.804 -15.949 1.00 0.00 C ATOM 0 H VAL A 77 -3.479 4.155 -16.879 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.386 4.095 -17.332 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.716 6.231 -16.570 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.443 5.988 -14.078 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.056 4.509 -14.856 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.348 4.615 -14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.048 7.536 -15.207 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.817 6.315 -15.607 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.537 7.308 -16.896 1.00 0.00 H new TER 1153 VAL A 77