USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 510 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 16 TYR OH : rot -154:sc= 0.0161 USER MOD Set 1.2: A 42 MET CE :methyl -153:sc= -1.85 (180deg=-3.82) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 26:sc= 0.787 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -146:sc= -3.37! (180deg=-3.58!) USER MOD Single : A 11 THR OG1 : rot 130:sc= 1.05 USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.0533 (180deg=-0.32) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0397) USER MOD Single : A 22 ASN : amide:sc= -1.22 K(o=-1.2,f=-12!) USER MOD Single : A 25 CYS SG : rot 15:sc= 0.375 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.904 K(o=0.9,f=-0.01) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 38 ASN : amide:sc= -13.4! C(o=-13!,f=-21!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0125 K(o=-0.012,f=-1.2) USER MOD Single : A 41 ASN : amide:sc= -0.649 K(o=-0.65,f=-1.6!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -2.22! C(o=-2.9!,f=-2.2!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.128 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.818 1.591 -21.838 1.00 0.00 N ATOM 2 CA GLY A 1 12.842 2.428 -22.511 1.00 0.00 C ATOM 3 C GLY A 1 12.352 3.565 -21.636 1.00 0.00 C ATOM 4 O GLY A 1 13.149 4.267 -21.015 1.00 0.00 O ATOM 0 H1 GLY A 1 14.122 0.829 -22.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.642 2.166 -21.569 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.391 1.177 -20.985 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.284 2.837 -23.420 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.993 1.817 -22.817 1.00 0.00 H new ATOM 8 N SER A 2 11.036 3.748 -21.588 1.00 0.00 N ATOM 9 CA SER A 2 10.441 4.811 -20.787 1.00 0.00 C ATOM 10 C SER A 2 9.714 4.236 -19.575 1.00 0.00 C ATOM 11 O SER A 2 8.615 4.673 -19.232 1.00 0.00 O ATOM 12 CB SER A 2 9.469 5.635 -21.635 1.00 0.00 C ATOM 13 OG SER A 2 8.531 4.800 -22.291 1.00 0.00 O ATOM 0 H SER A 2 10.362 3.174 -22.094 1.00 0.00 H new ATOM 0 HA SER A 2 11.244 5.459 -20.434 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.944 6.349 -21.001 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.025 6.213 -22.373 1.00 0.00 H new ATOM 0 HG SER A 2 7.920 5.350 -22.825 1.00 0.00 H new ATOM 19 N SER A 3 10.336 3.254 -18.931 1.00 0.00 N ATOM 20 CA SER A 3 9.748 2.616 -17.759 1.00 0.00 C ATOM 21 C SER A 3 10.335 3.192 -16.474 1.00 0.00 C ATOM 22 O SER A 3 11.546 3.375 -16.359 1.00 0.00 O ATOM 23 CB SER A 3 9.979 1.104 -17.806 1.00 0.00 C ATOM 24 OG SER A 3 9.391 0.533 -18.961 1.00 0.00 O ATOM 0 H SER A 3 11.247 2.883 -19.201 1.00 0.00 H new ATOM 0 HA SER A 3 8.676 2.813 -17.768 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.049 0.896 -17.799 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.558 0.641 -16.913 1.00 0.00 H new ATOM 0 HG SER A 3 9.555 -0.433 -18.968 1.00 0.00 H new ATOM 30 N GLY A 4 9.465 3.477 -15.510 1.00 0.00 N ATOM 31 CA GLY A 4 9.915 4.030 -14.245 1.00 0.00 C ATOM 32 C GLY A 4 8.792 4.152 -13.234 1.00 0.00 C ATOM 33 O GLY A 4 8.239 3.148 -12.787 1.00 0.00 O ATOM 0 H GLY A 4 8.457 3.335 -15.582 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.702 3.397 -13.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.353 5.013 -14.417 1.00 0.00 H new ATOM 37 N SER A 5 8.456 5.386 -12.871 1.00 0.00 N ATOM 38 CA SER A 5 7.396 5.635 -11.901 1.00 0.00 C ATOM 39 C SER A 5 6.210 4.706 -12.142 1.00 0.00 C ATOM 40 O SER A 5 5.491 4.843 -13.132 1.00 0.00 O ATOM 41 CB SER A 5 6.940 7.094 -11.977 1.00 0.00 C ATOM 42 OG SER A 5 6.383 7.389 -13.246 1.00 0.00 O ATOM 0 H SER A 5 8.902 6.228 -13.234 1.00 0.00 H new ATOM 0 HA SER A 5 7.793 5.437 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.202 7.289 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.787 7.753 -11.786 1.00 0.00 H new ATOM 0 HG SER A 5 6.022 6.569 -13.644 1.00 0.00 H new ATOM 48 N SER A 6 6.012 3.761 -11.229 1.00 0.00 N ATOM 49 CA SER A 6 4.916 2.806 -11.343 1.00 0.00 C ATOM 50 C SER A 6 3.607 3.421 -10.857 1.00 0.00 C ATOM 51 O SER A 6 2.615 3.450 -11.583 1.00 0.00 O ATOM 52 CB SER A 6 5.228 1.542 -10.539 1.00 0.00 C ATOM 53 OG SER A 6 4.242 0.547 -10.751 1.00 0.00 O ATOM 0 H SER A 6 6.596 3.636 -10.402 1.00 0.00 H new ATOM 0 HA SER A 6 4.805 2.541 -12.395 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.206 1.156 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.281 1.786 -9.478 1.00 0.00 H new ATOM 0 HG SER A 6 4.465 -0.251 -10.228 1.00 0.00 H new ATOM 59 N GLY A 7 3.614 3.913 -9.622 1.00 0.00 N ATOM 60 CA GLY A 7 2.423 4.521 -9.059 1.00 0.00 C ATOM 61 C GLY A 7 2.730 5.782 -8.276 1.00 0.00 C ATOM 62 O GLY A 7 3.302 6.730 -8.813 1.00 0.00 O ATOM 0 H GLY A 7 4.423 3.901 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.725 4.757 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.927 3.803 -8.406 1.00 0.00 H new ATOM 66 N SER A 8 2.347 5.794 -7.003 1.00 0.00 N ATOM 67 CA SER A 8 2.580 6.951 -6.146 1.00 0.00 C ATOM 68 C SER A 8 3.384 6.558 -4.911 1.00 0.00 C ATOM 69 O SER A 8 2.973 5.694 -4.136 1.00 0.00 O ATOM 70 CB SER A 8 1.249 7.576 -5.725 1.00 0.00 C ATOM 71 OG SER A 8 0.690 8.344 -6.776 1.00 0.00 O ATOM 0 H SER A 8 1.874 5.016 -6.543 1.00 0.00 H new ATOM 0 HA SER A 8 3.154 7.684 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.551 6.791 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.401 8.208 -4.850 1.00 0.00 H new ATOM 0 HG SER A 8 -0.161 8.731 -6.482 1.00 0.00 H new ATOM 77 N THR A 9 4.535 7.201 -4.733 1.00 0.00 N ATOM 78 CA THR A 9 5.399 6.919 -3.593 1.00 0.00 C ATOM 79 C THR A 9 4.882 7.599 -2.330 1.00 0.00 C ATOM 80 O THR A 9 4.735 8.820 -2.287 1.00 0.00 O ATOM 81 CB THR A 9 6.844 7.382 -3.856 1.00 0.00 C ATOM 82 OG1 THR A 9 7.296 6.881 -5.119 1.00 0.00 O ATOM 83 CG2 THR A 9 7.775 6.903 -2.753 1.00 0.00 C ATOM 0 H THR A 9 4.890 7.920 -5.364 1.00 0.00 H new ATOM 0 HA THR A 9 5.391 5.838 -3.450 1.00 0.00 H new ATOM 0 HB THR A 9 6.856 8.472 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.215 7.181 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.790 7.242 -2.961 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.445 7.309 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.758 5.814 -2.710 1.00 0.00 H new ATOM 91 N MET A 10 4.608 6.800 -1.304 1.00 0.00 N ATOM 92 CA MET A 10 4.109 7.326 -0.039 1.00 0.00 C ATOM 93 C MET A 10 5.026 6.929 1.114 1.00 0.00 C ATOM 94 O MET A 10 5.579 5.829 1.131 1.00 0.00 O ATOM 95 CB MET A 10 2.690 6.819 0.225 1.00 0.00 C ATOM 96 CG MET A 10 1.735 7.054 -0.934 1.00 0.00 C ATOM 97 SD MET A 10 0.008 6.832 -0.468 1.00 0.00 S ATOM 98 CE MET A 10 -0.315 8.376 0.381 1.00 0.00 C ATOM 0 H MET A 10 4.723 5.787 -1.324 1.00 0.00 H new ATOM 0 HA MET A 10 4.091 8.414 -0.108 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.729 5.752 0.442 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.297 7.311 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.877 8.065 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.979 6.368 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.018 8.203 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.617 8.772 0.783 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.742 9.094 -0.319 1.00 0.00 H new ATOM 108 N THR A 11 5.183 7.832 2.078 1.00 0.00 N ATOM 109 CA THR A 11 6.033 7.576 3.233 1.00 0.00 C ATOM 110 C THR A 11 5.201 7.381 4.496 1.00 0.00 C ATOM 111 O THR A 11 4.377 8.226 4.845 1.00 0.00 O ATOM 112 CB THR A 11 7.031 8.727 3.462 1.00 0.00 C ATOM 113 OG1 THR A 11 7.874 8.880 2.315 1.00 0.00 O ATOM 114 CG2 THR A 11 7.884 8.466 4.694 1.00 0.00 C ATOM 0 H THR A 11 4.732 8.747 2.081 1.00 0.00 H new ATOM 0 HA THR A 11 6.587 6.661 3.021 1.00 0.00 H new ATOM 0 HB THR A 11 6.464 9.644 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.887 9.821 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.581 9.292 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.241 8.380 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.442 7.539 4.561 1.00 0.00 H new ATOM 122 N VAL A 12 5.423 6.262 5.178 1.00 0.00 N ATOM 123 CA VAL A 12 4.694 5.957 6.404 1.00 0.00 C ATOM 124 C VAL A 12 4.782 7.110 7.397 1.00 0.00 C ATOM 125 O VAL A 12 5.866 7.628 7.668 1.00 0.00 O ATOM 126 CB VAL A 12 5.231 4.677 7.072 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.487 4.399 8.369 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.121 3.494 6.121 1.00 0.00 C ATOM 0 H VAL A 12 6.101 5.552 4.903 1.00 0.00 H new ATOM 0 HA VAL A 12 3.652 5.802 6.123 1.00 0.00 H new ATOM 0 HB VAL A 12 6.284 4.827 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.880 3.491 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.622 5.237 9.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.425 4.269 8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.505 2.598 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.076 3.341 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.703 3.695 5.222 1.00 0.00 H new ATOM 138 N ILE A 13 3.635 7.508 7.936 1.00 0.00 N ATOM 139 CA ILE A 13 3.582 8.600 8.900 1.00 0.00 C ATOM 140 C ILE A 13 3.477 8.069 10.326 1.00 0.00 C ATOM 141 O ILE A 13 3.886 8.732 11.279 1.00 0.00 O ATOM 142 CB ILE A 13 2.393 9.538 8.624 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.079 8.755 8.656 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.568 10.235 7.283 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.151 9.635 8.622 1.00 0.00 C ATOM 0 H ILE A 13 2.729 7.090 7.721 1.00 0.00 H new ATOM 0 HA ILE A 13 4.509 9.162 8.791 1.00 0.00 H new ATOM 0 HB ILE A 13 2.360 10.298 9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.051 8.073 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.053 8.142 9.557 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.719 10.895 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.487 10.821 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.623 9.489 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.045 9.012 8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.147 10.299 9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.148 10.229 7.708 1.00 0.00 H new ATOM 157 N LYS A 14 2.927 6.868 10.465 1.00 0.00 N ATOM 158 CA LYS A 14 2.769 6.244 11.773 1.00 0.00 C ATOM 159 C LYS A 14 2.994 4.738 11.689 1.00 0.00 C ATOM 160 O LYS A 14 2.739 4.120 10.655 1.00 0.00 O ATOM 161 CB LYS A 14 1.375 6.532 12.334 1.00 0.00 C ATOM 162 CG LYS A 14 1.030 8.010 12.377 1.00 0.00 C ATOM 163 CD LYS A 14 -0.474 8.231 12.409 1.00 0.00 C ATOM 164 CE LYS A 14 -1.075 7.781 13.732 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.554 8.577 14.878 1.00 0.00 N ATOM 0 H LYS A 14 2.583 6.306 9.686 1.00 0.00 H new ATOM 0 HA LYS A 14 3.518 6.668 12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.634 6.012 11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.306 6.122 13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.484 8.465 13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.454 8.509 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.691 9.287 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.941 7.683 11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.160 7.875 13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.852 6.726 13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.187 8.464 15.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.398 8.243 15.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.509 9.581 14.611 1.00 0.00 H new ATOM 179 N ASP A 15 3.471 4.153 12.783 1.00 0.00 N ATOM 180 CA ASP A 15 3.728 2.719 12.833 1.00 0.00 C ATOM 181 C ASP A 15 2.444 1.929 12.597 1.00 0.00 C ATOM 182 O ASP A 15 1.350 2.392 12.920 1.00 0.00 O ATOM 183 CB ASP A 15 4.337 2.335 14.182 1.00 0.00 C ATOM 184 CG ASP A 15 5.660 3.030 14.438 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.825 4.180 13.981 1.00 0.00 O ATOM 186 OD2 ASP A 15 6.530 2.423 15.097 1.00 0.00 O ATOM 0 H ASP A 15 3.687 4.650 13.647 1.00 0.00 H new ATOM 0 HA ASP A 15 4.436 2.474 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.637 2.587 14.979 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.484 1.256 14.217 1.00 0.00 H new ATOM 191 N TYR A 16 2.586 0.735 12.032 1.00 0.00 N ATOM 192 CA TYR A 16 1.437 -0.118 11.749 1.00 0.00 C ATOM 193 C TYR A 16 1.837 -1.590 11.759 1.00 0.00 C ATOM 194 O TYR A 16 2.802 -1.988 11.105 1.00 0.00 O ATOM 195 CB TYR A 16 0.825 0.247 10.396 1.00 0.00 C ATOM 196 CG TYR A 16 -0.310 -0.662 9.980 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.573 -0.533 10.545 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.119 -1.649 9.022 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.612 -1.361 10.168 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.152 -2.482 8.638 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.397 -2.334 9.214 1.00 0.00 C ATOM 202 OH TYR A 16 -3.429 -3.161 8.835 1.00 0.00 O ATOM 0 H TYR A 16 3.485 0.336 11.761 1.00 0.00 H new ATOM 0 HA TYR A 16 0.695 0.044 12.531 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.461 1.274 10.436 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.604 0.214 9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.745 0.228 11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.854 -1.767 8.569 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.587 -1.247 10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.986 -3.245 7.891 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.064 -4.008 8.502 1.00 0.00 H new ATOM 212 N TYR A 17 1.088 -2.395 12.504 1.00 0.00 N ATOM 213 CA TYR A 17 1.363 -3.823 12.601 1.00 0.00 C ATOM 214 C TYR A 17 0.458 -4.618 11.665 1.00 0.00 C ATOM 215 O TYR A 17 -0.766 -4.586 11.792 1.00 0.00 O ATOM 216 CB TYR A 17 1.174 -4.304 14.041 1.00 0.00 C ATOM 217 CG TYR A 17 0.144 -3.511 14.814 1.00 0.00 C ATOM 218 CD1 TYR A 17 0.412 -2.217 15.241 1.00 0.00 C ATOM 219 CD2 TYR A 17 -1.098 -4.056 15.115 1.00 0.00 C ATOM 220 CE1 TYR A 17 -0.525 -1.489 15.948 1.00 0.00 C ATOM 221 CE2 TYR A 17 -2.042 -3.336 15.820 1.00 0.00 C ATOM 222 CZ TYR A 17 -1.751 -2.053 16.235 1.00 0.00 C ATOM 223 OH TYR A 17 -2.689 -1.331 16.937 1.00 0.00 O ATOM 0 H TYR A 17 0.285 -2.082 13.050 1.00 0.00 H new ATOM 0 HA TYR A 17 2.398 -3.988 12.302 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.878 -5.353 14.029 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.130 -4.248 14.562 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.370 -1.772 15.016 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.329 -5.060 14.792 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.299 -0.484 16.274 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.003 -3.775 16.045 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.498 -1.872 17.054 1.00 0.00 H new ATOM 233 N ALA A 18 1.069 -5.330 10.725 1.00 0.00 N ATOM 234 CA ALA A 18 0.320 -6.136 9.768 1.00 0.00 C ATOM 235 C ALA A 18 -0.622 -7.100 10.481 1.00 0.00 C ATOM 236 O ALA A 18 -0.189 -7.926 11.286 1.00 0.00 O ATOM 237 CB ALA A 18 1.273 -6.900 8.861 1.00 0.00 C ATOM 0 H ALA A 18 2.081 -5.366 10.605 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.284 -5.464 9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.700 -7.497 8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.901 -6.195 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.901 -7.556 9.463 1.00 0.00 H new ATOM 243 N LEU A 19 -1.911 -6.990 10.182 1.00 0.00 N ATOM 244 CA LEU A 19 -2.915 -7.852 10.795 1.00 0.00 C ATOM 245 C LEU A 19 -3.194 -9.071 9.921 1.00 0.00 C ATOM 246 O LEU A 19 -3.328 -10.188 10.420 1.00 0.00 O ATOM 247 CB LEU A 19 -4.210 -7.073 11.030 1.00 0.00 C ATOM 248 CG LEU A 19 -4.144 -5.962 12.079 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.254 -4.947 11.852 1.00 0.00 C ATOM 250 CD2 LEU A 19 -4.232 -6.546 13.481 1.00 0.00 C ATOM 0 H LEU A 19 -2.286 -6.312 9.518 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.526 -8.196 11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.523 -6.633 10.083 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.986 -7.779 11.325 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.186 -5.451 11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.191 -4.164 12.608 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.146 -4.505 10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.222 -5.444 11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.183 -5.741 14.214 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.174 -7.083 13.593 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.402 -7.234 13.642 1.00 0.00 H new ATOM 262 N LYS A 20 -3.277 -8.848 8.614 1.00 0.00 N ATOM 263 CA LYS A 20 -3.535 -9.928 7.668 1.00 0.00 C ATOM 264 C LYS A 20 -2.238 -10.415 7.031 1.00 0.00 C ATOM 265 O LYS A 20 -1.302 -9.639 6.836 1.00 0.00 O ATOM 266 CB LYS A 20 -4.506 -9.460 6.581 1.00 0.00 C ATOM 267 CG LYS A 20 -5.885 -9.106 7.109 1.00 0.00 C ATOM 268 CD LYS A 20 -6.910 -9.036 5.989 1.00 0.00 C ATOM 269 CE LYS A 20 -8.296 -8.711 6.522 1.00 0.00 C ATOM 270 NZ LYS A 20 -8.381 -7.314 7.031 1.00 0.00 N ATOM 0 H LYS A 20 -3.169 -7.929 8.185 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.984 -10.757 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.084 -8.589 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.604 -10.245 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.197 -9.850 7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.843 -8.147 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.610 -8.277 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.937 -9.988 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.032 -8.855 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.549 -9.405 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.367 -7.093 7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.784 -7.216 7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.051 -6.656 6.296 1.00 0.00 H new ATOM 284 N GLU A 21 -2.190 -11.704 6.707 1.00 0.00 N ATOM 285 CA GLU A 21 -1.007 -12.292 6.091 1.00 0.00 C ATOM 286 C GLU A 21 -0.461 -11.389 4.988 1.00 0.00 C ATOM 287 O GLU A 21 0.715 -11.028 4.993 1.00 0.00 O ATOM 288 CB GLU A 21 -1.336 -13.673 5.518 1.00 0.00 C ATOM 289 CG GLU A 21 -1.275 -14.789 6.548 1.00 0.00 C ATOM 290 CD GLU A 21 -1.148 -16.160 5.914 1.00 0.00 C ATOM 291 OE1 GLU A 21 -0.465 -16.272 4.874 1.00 0.00 O ATOM 292 OE2 GLU A 21 -1.730 -17.122 6.457 1.00 0.00 O ATOM 0 H GLU A 21 -2.956 -12.360 6.861 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.243 -12.398 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.334 -13.647 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.640 -13.897 4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.427 -14.620 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.174 -14.759 7.164 1.00 0.00 H new ATOM 299 N ASN A 22 -1.325 -11.029 4.045 1.00 0.00 N ATOM 300 CA ASN A 22 -0.930 -10.169 2.935 1.00 0.00 C ATOM 301 C ASN A 22 -0.377 -8.842 3.445 1.00 0.00 C ATOM 302 O ASN A 22 0.654 -8.366 2.971 1.00 0.00 O ATOM 303 CB ASN A 22 -2.123 -9.916 2.010 1.00 0.00 C ATOM 304 CG ASN A 22 -3.258 -9.198 2.714 1.00 0.00 C ATOM 305 OD1 ASN A 22 -3.422 -9.315 3.929 1.00 0.00 O ATOM 306 ND2 ASN A 22 -4.050 -8.452 1.953 1.00 0.00 N ATOM 0 H ASN A 22 -2.303 -11.319 4.027 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.145 -10.677 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.797 -9.324 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.485 -10.867 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.831 -7.947 2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.877 -8.384 0.950 1.00 0.00 H new ATOM 313 N GLU A 23 -1.069 -8.252 4.414 1.00 0.00 N ATOM 314 CA GLU A 23 -0.646 -6.980 4.988 1.00 0.00 C ATOM 315 C GLU A 23 0.719 -7.112 5.656 1.00 0.00 C ATOM 316 O GLU A 23 0.994 -8.098 6.341 1.00 0.00 O ATOM 317 CB GLU A 23 -1.678 -6.485 6.003 1.00 0.00 C ATOM 318 CG GLU A 23 -3.002 -6.081 5.378 1.00 0.00 C ATOM 319 CD GLU A 23 -4.150 -6.116 6.368 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.890 -5.992 7.583 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.309 -6.267 5.928 1.00 0.00 O ATOM 0 H GLU A 23 -1.924 -8.634 4.818 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.566 -6.254 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.857 -7.270 6.738 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.265 -5.632 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.913 -5.076 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.225 -6.748 4.545 1.00 0.00 H new ATOM 328 N ILE A 24 1.571 -6.112 5.452 1.00 0.00 N ATOM 329 CA ILE A 24 2.907 -6.116 6.035 1.00 0.00 C ATOM 330 C ILE A 24 3.049 -5.026 7.092 1.00 0.00 C ATOM 331 O ILE A 24 2.197 -4.143 7.205 1.00 0.00 O ATOM 332 CB ILE A 24 3.991 -5.917 4.960 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.908 -4.505 4.376 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.845 -6.960 3.861 1.00 0.00 C ATOM 335 CD1 ILE A 24 5.084 -4.146 3.495 1.00 0.00 C ATOM 0 H ILE A 24 1.359 -5.289 4.888 1.00 0.00 H new ATOM 0 HA ILE A 24 3.044 -7.091 6.502 1.00 0.00 H new ATOM 0 HB ILE A 24 4.969 -6.041 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.989 -4.413 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.843 -3.786 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.618 -6.806 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.949 -7.957 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.863 -6.865 3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.958 -3.132 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.005 -4.205 4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.137 -4.842 2.658 1.00 0.00 H new ATOM 347 N CYS A 25 4.129 -5.092 7.861 1.00 0.00 N ATOM 348 CA CYS A 25 4.384 -4.109 8.909 1.00 0.00 C ATOM 349 C CYS A 25 5.196 -2.937 8.368 1.00 0.00 C ATOM 350 O CYS A 25 5.936 -3.077 7.395 1.00 0.00 O ATOM 351 CB CYS A 25 5.122 -4.761 10.079 1.00 0.00 C ATOM 352 SG CYS A 25 5.001 -3.842 11.631 1.00 0.00 S ATOM 0 H CYS A 25 4.843 -5.816 7.779 1.00 0.00 H new ATOM 0 HA CYS A 25 3.424 -3.730 9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.725 -5.765 10.231 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.174 -4.871 9.815 1.00 0.00 H new ATOM 0 HG CYS A 25 4.047 -2.963 11.542 1.00 0.00 H new ATOM 358 N VAL A 26 5.051 -1.780 9.006 1.00 0.00 N ATOM 359 CA VAL A 26 5.771 -0.582 8.589 1.00 0.00 C ATOM 360 C VAL A 26 6.038 0.339 9.775 1.00 0.00 C ATOM 361 O VAL A 26 5.455 0.174 10.846 1.00 0.00 O ATOM 362 CB VAL A 26 4.989 0.197 7.514 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.872 -0.625 6.239 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.615 0.588 8.034 1.00 0.00 C ATOM 0 H VAL A 26 4.442 -1.647 9.813 1.00 0.00 H new ATOM 0 HA VAL A 26 6.721 -0.913 8.169 1.00 0.00 H new ATOM 0 HB VAL A 26 5.537 1.110 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.317 -0.059 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.868 -0.850 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.347 -1.556 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.077 1.137 7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.056 -0.310 8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.726 1.218 8.917 1.00 0.00 H new ATOM 374 N SER A 27 6.923 1.310 9.575 1.00 0.00 N ATOM 375 CA SER A 27 7.270 2.257 10.628 1.00 0.00 C ATOM 376 C SER A 27 7.359 3.676 10.076 1.00 0.00 C ATOM 377 O SER A 27 7.837 3.891 8.963 1.00 0.00 O ATOM 378 CB SER A 27 8.600 1.866 11.276 1.00 0.00 C ATOM 379 OG SER A 27 8.408 0.892 12.287 1.00 0.00 O ATOM 0 H SER A 27 7.413 1.462 8.693 1.00 0.00 H new ATOM 0 HA SER A 27 6.483 2.228 11.382 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.278 1.477 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.074 2.750 11.703 1.00 0.00 H new ATOM 0 HG SER A 27 9.273 0.658 12.684 1.00 0.00 H new ATOM 385 N GLN A 28 6.893 4.640 10.863 1.00 0.00 N ATOM 386 CA GLN A 28 6.919 6.039 10.453 1.00 0.00 C ATOM 387 C GLN A 28 8.282 6.414 9.880 1.00 0.00 C ATOM 388 O GLN A 28 9.297 6.343 10.571 1.00 0.00 O ATOM 389 CB GLN A 28 6.584 6.946 11.639 1.00 0.00 C ATOM 390 CG GLN A 28 6.965 8.401 11.418 1.00 0.00 C ATOM 391 CD GLN A 28 6.908 9.219 12.693 1.00 0.00 C ATOM 392 OE1 GLN A 28 7.925 9.734 13.161 1.00 0.00 O ATOM 393 NE2 GLN A 28 5.716 9.344 13.264 1.00 0.00 N ATOM 0 H GLN A 28 6.493 4.478 11.787 1.00 0.00 H new ATOM 0 HA GLN A 28 6.168 6.177 9.675 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.515 6.886 11.841 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.098 6.575 12.526 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.972 8.450 11.004 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.295 8.840 10.679 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.900 8.901 12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.617 9.883 14.124 1.00 0.00 H new ATOM 402 N GLY A 29 8.296 6.813 8.612 1.00 0.00 N ATOM 403 CA GLY A 29 9.539 7.192 7.967 1.00 0.00 C ATOM 404 C GLY A 29 9.804 6.397 6.704 1.00 0.00 C ATOM 405 O GLY A 29 10.251 6.948 5.699 1.00 0.00 O ATOM 0 H GLY A 29 7.468 6.880 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.509 8.254 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.365 7.047 8.664 1.00 0.00 H new ATOM 409 N GLU A 30 9.528 5.097 6.757 1.00 0.00 N ATOM 410 CA GLU A 30 9.743 4.225 5.608 1.00 0.00 C ATOM 411 C GLU A 30 9.109 4.815 4.351 1.00 0.00 C ATOM 412 O GLU A 30 8.378 5.803 4.416 1.00 0.00 O ATOM 413 CB GLU A 30 9.163 2.835 5.880 1.00 0.00 C ATOM 414 CG GLU A 30 10.048 1.968 6.759 1.00 0.00 C ATOM 415 CD GLU A 30 11.432 1.765 6.173 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.585 0.885 5.300 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.363 2.488 6.587 1.00 0.00 O ATOM 0 H GLU A 30 9.156 4.626 7.582 1.00 0.00 H new ATOM 0 HA GLU A 30 10.817 4.138 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.188 2.944 6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.999 2.327 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.138 2.428 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.572 0.998 6.903 1.00 0.00 H new ATOM 424 N VAL A 31 9.397 4.202 3.207 1.00 0.00 N ATOM 425 CA VAL A 31 8.856 4.665 1.935 1.00 0.00 C ATOM 426 C VAL A 31 8.376 3.496 1.084 1.00 0.00 C ATOM 427 O VAL A 31 9.114 2.538 0.851 1.00 0.00 O ATOM 428 CB VAL A 31 9.902 5.469 1.140 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.302 5.993 -0.156 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.450 6.610 1.983 1.00 0.00 C ATOM 0 H VAL A 31 10.002 3.384 3.135 1.00 0.00 H new ATOM 0 HA VAL A 31 8.010 5.312 2.167 1.00 0.00 H new ATOM 0 HB VAL A 31 10.729 4.805 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.056 6.558 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.963 5.155 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.456 6.642 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.188 7.167 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.635 7.275 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.921 6.207 2.880 1.00 0.00 H new ATOM 440 N VAL A 32 7.133 3.579 0.620 1.00 0.00 N ATOM 441 CA VAL A 32 6.553 2.528 -0.208 1.00 0.00 C ATOM 442 C VAL A 32 5.948 3.104 -1.483 1.00 0.00 C ATOM 443 O VAL A 32 6.069 4.299 -1.754 1.00 0.00 O ATOM 444 CB VAL A 32 5.466 1.748 0.556 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.069 1.019 1.747 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.352 2.684 1.001 1.00 0.00 C ATOM 0 H VAL A 32 6.508 4.364 0.804 1.00 0.00 H new ATOM 0 HA VAL A 32 7.363 1.847 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 32 5.038 1.004 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.286 0.474 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.828 0.318 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.526 1.742 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.593 2.116 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.762 3.453 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.902 3.155 0.127 1.00 0.00 H new ATOM 456 N GLN A 33 5.297 2.247 -2.262 1.00 0.00 N ATOM 457 CA GLN A 33 4.673 2.671 -3.510 1.00 0.00 C ATOM 458 C GLN A 33 3.307 2.016 -3.686 1.00 0.00 C ATOM 459 O GLN A 33 3.196 0.791 -3.737 1.00 0.00 O ATOM 460 CB GLN A 33 5.573 2.327 -4.698 1.00 0.00 C ATOM 461 CG GLN A 33 6.600 3.402 -5.014 1.00 0.00 C ATOM 462 CD GLN A 33 7.828 2.849 -5.710 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.722 2.036 -6.630 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.004 3.287 -5.274 1.00 0.00 N ATOM 0 H GLN A 33 5.188 1.255 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 33 4.535 3.751 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.091 1.391 -4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.951 2.160 -5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.141 4.163 -5.645 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.902 3.894 -4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.046 3.961 -4.509 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.865 2.950 -5.704 1.00 0.00 H new ATOM 473 N VAL A 34 2.268 2.841 -3.777 1.00 0.00 N ATOM 474 CA VAL A 34 0.909 2.342 -3.947 1.00 0.00 C ATOM 475 C VAL A 34 0.763 1.583 -5.261 1.00 0.00 C ATOM 476 O VAL A 34 1.376 1.939 -6.268 1.00 0.00 O ATOM 477 CB VAL A 34 -0.119 3.489 -3.913 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.516 2.964 -4.204 1.00 0.00 C ATOM 479 CG2 VAL A 34 -0.077 4.202 -2.570 1.00 0.00 C ATOM 0 H VAL A 34 2.342 3.857 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 34 0.714 1.665 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 34 0.141 4.209 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.228 3.789 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.533 2.504 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.790 2.222 -3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.809 5.009 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.310 3.494 -1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.919 4.614 -2.408 1.00 0.00 H new ATOM 489 N LEU A 35 -0.053 0.534 -5.244 1.00 0.00 N ATOM 490 CA LEU A 35 -0.281 -0.277 -6.435 1.00 0.00 C ATOM 491 C LEU A 35 -1.759 -0.289 -6.811 1.00 0.00 C ATOM 492 O LEU A 35 -2.111 -0.212 -7.988 1.00 0.00 O ATOM 493 CB LEU A 35 0.210 -1.707 -6.204 1.00 0.00 C ATOM 494 CG LEU A 35 1.680 -1.857 -5.810 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.025 -3.320 -5.583 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.582 -1.253 -6.876 1.00 0.00 C ATOM 0 H LEU A 35 -0.567 0.226 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 35 0.281 0.165 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.402 -2.158 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.039 -2.280 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 35 1.843 -1.318 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.075 -3.407 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.402 -3.721 -4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.846 -3.883 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.624 -1.369 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.416 -1.763 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.353 -0.193 -6.989 1.00 0.00 H new ATOM 508 N ALA A 36 -2.620 -0.385 -5.803 1.00 0.00 N ATOM 509 CA ALA A 36 -4.060 -0.403 -6.027 1.00 0.00 C ATOM 510 C ALA A 36 -4.821 -0.403 -4.706 1.00 0.00 C ATOM 511 O ALA A 36 -4.222 -0.339 -3.633 1.00 0.00 O ATOM 512 CB ALA A 36 -4.449 -1.613 -6.863 1.00 0.00 C ATOM 0 H ALA A 36 -2.345 -0.452 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.330 0.502 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.527 -1.614 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.940 -1.569 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.159 -2.525 -6.341 1.00 0.00 H new ATOM 518 N VAL A 37 -6.146 -0.475 -4.792 1.00 0.00 N ATOM 519 CA VAL A 37 -6.990 -0.484 -3.603 1.00 0.00 C ATOM 520 C VAL A 37 -7.967 -1.654 -3.631 1.00 0.00 C ATOM 521 O VAL A 37 -8.364 -2.118 -4.699 1.00 0.00 O ATOM 522 CB VAL A 37 -7.782 0.830 -3.467 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.743 0.754 -2.290 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.834 2.010 -3.317 1.00 0.00 C ATOM 0 H VAL A 37 -6.658 -0.528 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.327 -0.590 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.368 0.977 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.294 1.691 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.443 -0.067 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.181 0.583 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.411 2.930 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.220 1.873 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.191 2.074 -4.195 1.00 0.00 H new ATOM 534 N ASN A 38 -8.352 -2.125 -2.450 1.00 0.00 N ATOM 535 CA ASN A 38 -9.284 -3.241 -2.339 1.00 0.00 C ATOM 536 C ASN A 38 -10.537 -2.830 -1.573 1.00 0.00 C ATOM 537 O ASN A 38 -10.643 -1.699 -1.099 1.00 0.00 O ATOM 538 CB ASN A 38 -8.613 -4.426 -1.642 1.00 0.00 C ATOM 539 CG ASN A 38 -8.682 -4.323 -0.131 1.00 0.00 C ATOM 540 OD1 ASN A 38 -9.279 -5.170 0.534 1.00 0.00 O ATOM 541 ND2 ASN A 38 -8.070 -3.281 0.420 1.00 0.00 N ATOM 0 H ASN A 38 -8.033 -1.751 -1.556 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.577 -3.538 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.092 -5.351 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.570 -4.483 -1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.083 -3.159 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.587 -2.603 -0.169 1.00 0.00 H new ATOM 548 N GLN A 39 -11.483 -3.756 -1.454 1.00 0.00 N ATOM 549 CA GLN A 39 -12.729 -3.489 -0.745 1.00 0.00 C ATOM 550 C GLN A 39 -12.466 -3.206 0.730 1.00 0.00 C ATOM 551 O GLN A 39 -13.205 -2.458 1.369 1.00 0.00 O ATOM 552 CB GLN A 39 -13.685 -4.675 -0.887 1.00 0.00 C ATOM 553 CG GLN A 39 -14.557 -4.607 -2.130 1.00 0.00 C ATOM 554 CD GLN A 39 -14.991 -5.977 -2.614 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.801 -6.647 -1.972 1.00 0.00 O ATOM 556 NE2 GLN A 39 -14.454 -6.402 -3.751 1.00 0.00 N ATOM 0 H GLN A 39 -11.410 -4.698 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.189 -2.606 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.105 -5.598 -0.910 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.325 -4.723 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.440 -4.004 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.010 -4.101 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.787 -5.814 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.709 -7.316 -4.125 1.00 0.00 H new ATOM 565 N GLN A 40 -11.409 -3.811 1.264 1.00 0.00 N ATOM 566 CA GLN A 40 -11.050 -3.624 2.665 1.00 0.00 C ATOM 567 C GLN A 40 -10.586 -2.194 2.922 1.00 0.00 C ATOM 568 O GLN A 40 -10.275 -1.826 4.054 1.00 0.00 O ATOM 569 CB GLN A 40 -9.952 -4.609 3.067 1.00 0.00 C ATOM 570 CG GLN A 40 -10.289 -6.058 2.752 1.00 0.00 C ATOM 571 CD GLN A 40 -11.140 -6.706 3.826 1.00 0.00 C ATOM 572 OE1 GLN A 40 -11.646 -6.032 4.724 1.00 0.00 O ATOM 573 NE2 GLN A 40 -11.303 -8.021 3.740 1.00 0.00 N ATOM 0 H GLN A 40 -10.787 -4.434 0.748 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.937 -3.813 3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.028 -4.340 2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.763 -4.513 4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.815 -6.106 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.365 -6.625 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.865 -8.540 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.866 -8.512 4.435 1.00 0.00 H new ATOM 582 N ASN A 41 -10.542 -1.392 1.863 1.00 0.00 N ATOM 583 CA ASN A 41 -10.115 -0.002 1.974 1.00 0.00 C ATOM 584 C ASN A 41 -8.613 0.087 2.229 1.00 0.00 C ATOM 585 O ASN A 41 -8.152 0.939 2.988 1.00 0.00 O ATOM 586 CB ASN A 41 -10.877 0.699 3.101 1.00 0.00 C ATOM 587 CG ASN A 41 -12.365 0.409 3.059 1.00 0.00 C ATOM 588 OD1 ASN A 41 -12.836 -0.564 3.649 1.00 0.00 O ATOM 589 ND2 ASN A 41 -13.113 1.254 2.360 1.00 0.00 N ATOM 0 H ASN A 41 -10.797 -1.681 0.918 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.336 0.496 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.474 0.379 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.717 1.775 3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.121 1.110 2.296 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.680 2.047 1.887 1.00 0.00 H new ATOM 596 N MET A 42 -7.856 -0.800 1.591 1.00 0.00 N ATOM 597 CA MET A 42 -6.407 -0.820 1.747 1.00 0.00 C ATOM 598 C MET A 42 -5.715 -0.367 0.465 1.00 0.00 C ATOM 599 O MET A 42 -6.354 -0.224 -0.579 1.00 0.00 O ATOM 600 CB MET A 42 -5.933 -2.224 2.127 1.00 0.00 C ATOM 601 CG MET A 42 -6.716 -2.839 3.276 1.00 0.00 C ATOM 602 SD MET A 42 -6.145 -2.271 4.889 1.00 0.00 S ATOM 603 CE MET A 42 -4.546 -3.073 4.983 1.00 0.00 C ATOM 0 H MET A 42 -8.222 -1.514 0.961 1.00 0.00 H new ATOM 0 HA MET A 42 -6.143 -0.126 2.545 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.012 -2.874 1.255 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.878 -2.182 2.398 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.772 -2.595 3.162 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.633 -3.925 3.227 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.281 -3.235 6.028 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.589 -4.032 4.467 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.794 -2.441 4.512 1.00 0.00 H new ATOM 613 N CYS A 43 -4.409 -0.142 0.551 1.00 0.00 N ATOM 614 CA CYS A 43 -3.631 0.296 -0.603 1.00 0.00 C ATOM 615 C CYS A 43 -2.422 -0.608 -0.818 1.00 0.00 C ATOM 616 O CYS A 43 -1.412 -0.489 -0.122 1.00 0.00 O ATOM 617 CB CYS A 43 -3.175 1.743 -0.417 1.00 0.00 C ATOM 618 SG CYS A 43 -4.523 2.910 -0.118 1.00 0.00 S ATOM 0 H CYS A 43 -3.866 -0.255 1.407 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.269 0.235 -1.485 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.478 1.788 0.420 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.627 2.057 -1.306 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.037 4.107 0.028 1.00 0.00 H new ATOM 624 N LEU A 44 -2.530 -1.513 -1.785 1.00 0.00 N ATOM 625 CA LEU A 44 -1.445 -2.439 -2.092 1.00 0.00 C ATOM 626 C LEU A 44 -0.139 -1.688 -2.331 1.00 0.00 C ATOM 627 O LEU A 44 0.131 -1.231 -3.442 1.00 0.00 O ATOM 628 CB LEU A 44 -1.797 -3.278 -3.321 1.00 0.00 C ATOM 629 CG LEU A 44 -0.803 -4.380 -3.689 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.414 -5.182 -2.456 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.387 -5.291 -4.758 1.00 0.00 C ATOM 0 H LEU A 44 -3.358 -1.625 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.311 -3.100 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.772 -3.736 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.900 -2.609 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 44 0.096 -3.912 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.294 -5.962 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.047 -4.521 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.304 -5.639 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.665 -6.069 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.302 -5.751 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.613 -4.707 -5.650 1.00 0.00 H new ATOM 643 N VAL A 45 0.668 -1.566 -1.283 1.00 0.00 N ATOM 644 CA VAL A 45 1.948 -0.874 -1.379 1.00 0.00 C ATOM 645 C VAL A 45 3.107 -1.864 -1.413 1.00 0.00 C ATOM 646 O VAL A 45 3.107 -2.861 -0.691 1.00 0.00 O ATOM 647 CB VAL A 45 2.151 0.098 -0.202 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.064 1.162 -0.194 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.175 -0.661 1.117 1.00 0.00 C ATOM 0 H VAL A 45 0.458 -1.938 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 45 1.932 -0.307 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 45 3.112 0.596 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.224 1.839 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.099 1.725 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.089 0.685 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.319 0.041 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.230 -1.187 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.993 -1.381 1.107 1.00 0.00 H new ATOM 659 N TYR A 46 4.094 -1.581 -2.256 1.00 0.00 N ATOM 660 CA TYR A 46 5.259 -2.448 -2.386 1.00 0.00 C ATOM 661 C TYR A 46 6.385 -1.989 -1.463 1.00 0.00 C ATOM 662 O TYR A 46 6.943 -0.906 -1.640 1.00 0.00 O ATOM 663 CB TYR A 46 5.748 -2.467 -3.835 1.00 0.00 C ATOM 664 CG TYR A 46 6.969 -3.333 -4.051 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.218 -2.934 -3.594 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.871 -4.552 -4.712 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.336 -3.722 -3.790 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.983 -5.347 -4.911 1.00 0.00 C ATOM 669 CZ TYR A 46 9.213 -4.927 -4.449 1.00 0.00 C ATOM 670 OH TYR A 46 10.324 -5.716 -4.645 1.00 0.00 O ATOM 0 H TYR A 46 4.111 -0.759 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 46 4.964 -3.457 -2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.942 -2.823 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.976 -1.448 -4.146 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.317 -1.991 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.910 -4.883 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.300 -3.396 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.890 -6.292 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 46 10.066 -6.531 -5.124 1.00 0.00 H new ATOM 680 N GLN A 47 6.712 -2.822 -0.481 1.00 0.00 N ATOM 681 CA GLN A 47 7.771 -2.502 0.470 1.00 0.00 C ATOM 682 C GLN A 47 9.108 -3.074 0.008 1.00 0.00 C ATOM 683 O GLN A 47 9.308 -4.287 -0.040 1.00 0.00 O ATOM 684 CB GLN A 47 7.422 -3.045 1.856 1.00 0.00 C ATOM 685 CG GLN A 47 8.620 -3.155 2.786 1.00 0.00 C ATOM 686 CD GLN A 47 8.218 -3.331 4.237 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.454 -2.379 4.760 1.00 0.00 O flip ATOM 688 NE2 GLN A 47 8.590 -4.313 4.881 1.00 0.00 N flip ATOM 0 H GLN A 47 6.260 -3.723 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 47 7.860 -1.417 0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.676 -2.396 2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.965 -4.029 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.237 -3.999 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.234 -2.260 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.177 -5.021 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.311 -4.419 5.857 1.00 0.00 H new ATOM 697 N PRO A 48 10.046 -2.180 -0.340 1.00 0.00 N ATOM 698 CA PRO A 48 11.380 -2.573 -0.803 1.00 0.00 C ATOM 699 C PRO A 48 12.227 -3.175 0.312 1.00 0.00 C ATOM 700 O PRO A 48 11.895 -3.054 1.491 1.00 0.00 O ATOM 701 CB PRO A 48 11.989 -1.255 -1.287 1.00 0.00 C ATOM 702 CG PRO A 48 11.272 -0.200 -0.516 1.00 0.00 C ATOM 703 CD PRO A 48 9.876 -0.718 -0.307 1.00 0.00 C ATOM 0 HA PRO A 48 11.334 -3.345 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.062 -1.222 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.849 -1.125 -2.360 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.765 -0.010 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.261 0.743 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.461 -0.383 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.199 -0.374 -1.089 1.00 0.00 H new ATOM 711 N ALA A 49 13.324 -3.822 -0.068 1.00 0.00 N ATOM 712 CA ALA A 49 14.220 -4.440 0.901 1.00 0.00 C ATOM 713 C ALA A 49 14.484 -3.508 2.079 1.00 0.00 C ATOM 714 O ALA A 49 15.063 -2.434 1.915 1.00 0.00 O ATOM 715 CB ALA A 49 15.530 -4.832 0.233 1.00 0.00 C ATOM 0 H ALA A 49 13.613 -3.932 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 49 13.736 -5.338 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.190 -5.292 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.331 -5.541 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.009 -3.943 -0.178 1.00 0.00 H new ATOM 721 N SER A 50 14.053 -3.924 3.265 1.00 0.00 N ATOM 722 CA SER A 50 14.238 -3.123 4.470 1.00 0.00 C ATOM 723 C SER A 50 15.531 -3.506 5.183 1.00 0.00 C ATOM 724 O SER A 50 16.264 -4.386 4.732 1.00 0.00 O ATOM 725 CB SER A 50 13.048 -3.303 5.415 1.00 0.00 C ATOM 726 OG SER A 50 11.866 -2.755 4.857 1.00 0.00 O ATOM 0 H SER A 50 13.573 -4.811 3.418 1.00 0.00 H new ATOM 0 HA SER A 50 14.303 -2.076 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.899 -4.363 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.261 -2.821 6.369 1.00 0.00 H new ATOM 0 HG SER A 50 11.120 -2.884 5.479 1.00 0.00 H new ATOM 732 N ASP A 51 15.803 -2.839 6.299 1.00 0.00 N ATOM 733 CA ASP A 51 17.007 -3.109 7.077 1.00 0.00 C ATOM 734 C ASP A 51 17.177 -4.607 7.313 1.00 0.00 C ATOM 735 O ASP A 51 16.433 -5.212 8.085 1.00 0.00 O ATOM 736 CB ASP A 51 16.950 -2.372 8.416 1.00 0.00 C ATOM 737 CG ASP A 51 17.926 -2.938 9.430 1.00 0.00 C ATOM 738 OD1 ASP A 51 17.665 -4.042 9.953 1.00 0.00 O ATOM 739 OD2 ASP A 51 18.950 -2.277 9.699 1.00 0.00 O ATOM 0 H ASP A 51 15.206 -2.107 6.685 1.00 0.00 H new ATOM 0 HA ASP A 51 17.865 -2.749 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 51 17.168 -1.316 8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.938 -2.431 8.817 1.00 0.00 H new ATOM 744 N HIS A 52 18.160 -5.198 6.642 1.00 0.00 N ATOM 745 CA HIS A 52 18.428 -6.626 6.778 1.00 0.00 C ATOM 746 C HIS A 52 17.177 -7.444 6.471 1.00 0.00 C ATOM 747 O HIS A 52 16.826 -8.361 7.214 1.00 0.00 O ATOM 748 CB HIS A 52 18.924 -6.941 8.190 1.00 0.00 C ATOM 749 CG HIS A 52 20.391 -6.705 8.375 1.00 0.00 C ATOM 750 ND1 HIS A 52 21.335 -7.701 8.245 1.00 0.00 N ATOM 751 CD2 HIS A 52 21.075 -5.578 8.682 1.00 0.00 C ATOM 752 CE1 HIS A 52 22.537 -7.198 8.464 1.00 0.00 C ATOM 753 NE2 HIS A 52 22.406 -5.911 8.732 1.00 0.00 N ATOM 0 H HIS A 52 18.784 -4.711 5.999 1.00 0.00 H new ATOM 0 HA HIS A 52 19.203 -6.896 6.061 1.00 0.00 H new ATOM 0 HB2 HIS A 52 18.373 -6.330 8.905 1.00 0.00 H new ATOM 0 HB3 HIS A 52 18.700 -7.982 8.421 1.00 0.00 H new ATOM 0 HD2 HIS A 52 20.652 -4.599 8.855 1.00 0.00 H new ATOM 0 HE1 HIS A 52 23.467 -7.745 8.430 1.00 0.00 H new ATOM 0 HE2 HIS A 52 23.170 -5.269 8.942 1.00 0.00 H new ATOM 762 N SER A 53 16.510 -7.107 5.373 1.00 0.00 N ATOM 763 CA SER A 53 15.296 -7.808 4.970 1.00 0.00 C ATOM 764 C SER A 53 14.977 -7.542 3.502 1.00 0.00 C ATOM 765 O SER A 53 15.155 -6.436 2.992 1.00 0.00 O ATOM 766 CB SER A 53 14.118 -7.377 5.846 1.00 0.00 C ATOM 767 OG SER A 53 12.887 -7.809 5.294 1.00 0.00 O ATOM 0 H SER A 53 16.789 -6.353 4.746 1.00 0.00 H new ATOM 0 HA SER A 53 15.464 -8.877 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.236 -7.790 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.114 -6.292 5.947 1.00 0.00 H new ATOM 0 HG SER A 53 12.150 -7.522 5.873 1.00 0.00 H new ATOM 773 N PRO A 54 14.493 -8.581 2.805 1.00 0.00 N ATOM 774 CA PRO A 54 14.138 -8.485 1.386 1.00 0.00 C ATOM 775 C PRO A 54 12.899 -7.627 1.155 1.00 0.00 C ATOM 776 O PRO A 54 12.305 -7.111 2.101 1.00 0.00 O ATOM 777 CB PRO A 54 13.863 -9.938 0.991 1.00 0.00 C ATOM 778 CG PRO A 54 13.470 -10.609 2.261 1.00 0.00 C ATOM 779 CD PRO A 54 14.255 -9.928 3.349 1.00 0.00 C ATOM 0 HA PRO A 54 14.925 -8.011 0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.069 -10.002 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.747 -10.403 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.398 -10.516 2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.696 -11.675 2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.697 -9.891 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.190 -10.449 3.556 1.00 0.00 H new ATOM 787 N ALA A 55 12.513 -7.480 -0.108 1.00 0.00 N ATOM 788 CA ALA A 55 11.343 -6.687 -0.463 1.00 0.00 C ATOM 789 C ALA A 55 10.093 -7.556 -0.538 1.00 0.00 C ATOM 790 O ALA A 55 10.155 -8.717 -0.943 1.00 0.00 O ATOM 791 CB ALA A 55 11.571 -5.972 -1.786 1.00 0.00 C ATOM 0 H ALA A 55 12.994 -7.900 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 55 11.190 -5.942 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.689 -5.384 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.434 -5.312 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.753 -6.707 -2.570 1.00 0.00 H new ATOM 797 N ALA A 56 8.958 -6.988 -0.144 1.00 0.00 N ATOM 798 CA ALA A 56 7.692 -7.711 -0.168 1.00 0.00 C ATOM 799 C ALA A 56 6.520 -6.760 -0.385 1.00 0.00 C ATOM 800 O ALA A 56 6.561 -5.605 0.036 1.00 0.00 O ATOM 801 CB ALA A 56 7.507 -8.494 1.123 1.00 0.00 C ATOM 0 H ALA A 56 8.889 -6.029 0.196 1.00 0.00 H new ATOM 0 HA ALA A 56 7.717 -8.410 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.558 -9.029 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.323 -9.208 1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.508 -7.806 1.969 1.00 0.00 H new ATOM 807 N GLU A 57 5.478 -7.253 -1.046 1.00 0.00 N ATOM 808 CA GLU A 57 4.295 -6.445 -1.320 1.00 0.00 C ATOM 809 C GLU A 57 3.216 -6.687 -0.268 1.00 0.00 C ATOM 810 O GLU A 57 2.719 -7.802 -0.117 1.00 0.00 O ATOM 811 CB GLU A 57 3.745 -6.761 -2.712 1.00 0.00 C ATOM 812 CG GLU A 57 3.045 -5.585 -3.371 1.00 0.00 C ATOM 813 CD GLU A 57 2.399 -5.956 -4.692 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.269 -6.485 -4.672 1.00 0.00 O ATOM 815 OE2 GLU A 57 3.025 -5.716 -5.746 1.00 0.00 O ATOM 0 H GLU A 57 5.429 -8.208 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 57 4.587 -5.395 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.564 -7.090 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.046 -7.594 -2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.284 -5.195 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.766 -4.784 -3.536 1.00 0.00 H new ATOM 822 N GLY A 58 2.859 -5.631 0.458 1.00 0.00 N ATOM 823 CA GLY A 58 1.842 -5.748 1.487 1.00 0.00 C ATOM 824 C GLY A 58 0.836 -4.616 1.439 1.00 0.00 C ATOM 825 O GLY A 58 1.152 -3.515 0.987 1.00 0.00 O ATOM 0 H GLY A 58 3.256 -4.697 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.321 -6.698 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.320 -5.763 2.466 1.00 0.00 H new ATOM 829 N TRP A 59 -0.378 -4.885 1.905 1.00 0.00 N ATOM 830 CA TRP A 59 -1.434 -3.880 1.912 1.00 0.00 C ATOM 831 C TRP A 59 -1.413 -3.077 3.208 1.00 0.00 C ATOM 832 O TRP A 59 -1.210 -3.629 4.289 1.00 0.00 O ATOM 833 CB TRP A 59 -2.800 -4.544 1.732 1.00 0.00 C ATOM 834 CG TRP A 59 -2.953 -5.239 0.413 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.386 -6.424 0.040 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.723 -4.790 -0.708 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.757 -6.739 -1.246 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.577 -5.753 -1.726 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.522 -3.670 -0.950 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.201 -5.626 -2.965 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.140 -3.546 -2.180 1.00 0.00 C ATOM 842 CH2 TRP A 59 -4.977 -4.519 -3.174 1.00 0.00 C ATOM 0 H TRP A 59 -0.655 -5.791 2.283 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.257 -3.198 1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.954 -5.265 2.535 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.579 -3.788 1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.741 -7.025 0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.468 -7.572 -1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.654 -2.915 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.077 -6.375 -3.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.759 -2.684 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.474 -4.393 -4.125 1.00 0.00 H new ATOM 853 N VAL A 60 -1.624 -1.769 3.092 1.00 0.00 N ATOM 854 CA VAL A 60 -1.630 -0.890 4.256 1.00 0.00 C ATOM 855 C VAL A 60 -2.721 0.169 4.138 1.00 0.00 C ATOM 856 O VAL A 60 -3.112 0.574 3.043 1.00 0.00 O ATOM 857 CB VAL A 60 -0.270 -0.192 4.439 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.841 -1.220 4.591 1.00 0.00 C ATOM 859 CG2 VAL A 60 0.012 0.740 3.271 1.00 0.00 C ATOM 0 H VAL A 60 -1.793 -1.295 2.205 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.828 -1.517 5.126 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.308 0.405 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.795 -0.708 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.643 -1.843 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.882 -1.846 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.977 1.225 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.031 0.167 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.769 1.498 3.213 1.00 0.00 H new ATOM 869 N PRO A 61 -3.224 0.630 5.293 1.00 0.00 N ATOM 870 CA PRO A 61 -4.276 1.650 5.346 1.00 0.00 C ATOM 871 C PRO A 61 -3.778 3.021 4.902 1.00 0.00 C ATOM 872 O PRO A 61 -2.906 3.611 5.539 1.00 0.00 O ATOM 873 CB PRO A 61 -4.669 1.677 6.825 1.00 0.00 C ATOM 874 CG PRO A 61 -3.459 1.192 7.547 1.00 0.00 C ATOM 875 CD PRO A 61 -2.805 0.192 6.635 1.00 0.00 C ATOM 0 HA PRO A 61 -5.103 1.418 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.944 2.683 7.143 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.529 1.036 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.782 2.016 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.730 0.734 8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.720 0.201 6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.137 -0.824 6.848 1.00 0.00 H new ATOM 883 N GLY A 62 -4.337 3.523 3.805 1.00 0.00 N ATOM 884 CA GLY A 62 -3.937 4.821 3.296 1.00 0.00 C ATOM 885 C GLY A 62 -3.839 5.868 4.388 1.00 0.00 C ATOM 886 O GLY A 62 -3.127 6.861 4.243 1.00 0.00 O ATOM 0 H GLY A 62 -5.060 3.053 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.972 4.730 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.655 5.150 2.545 1.00 0.00 H new ATOM 890 N SER A 63 -4.557 5.646 5.484 1.00 0.00 N ATOM 891 CA SER A 63 -4.552 6.581 6.603 1.00 0.00 C ATOM 892 C SER A 63 -3.129 6.846 7.083 1.00 0.00 C ATOM 893 O SER A 63 -2.754 7.988 7.349 1.00 0.00 O ATOM 894 CB SER A 63 -5.398 6.035 7.755 1.00 0.00 C ATOM 895 OG SER A 63 -6.779 6.260 7.525 1.00 0.00 O ATOM 0 H SER A 63 -5.149 4.827 5.621 1.00 0.00 H new ATOM 0 HA SER A 63 -4.982 7.522 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.215 4.967 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.099 6.512 8.688 1.00 0.00 H new ATOM 0 HG SER A 63 -7.298 5.901 8.274 1.00 0.00 H new ATOM 901 N ILE A 64 -2.341 5.782 7.193 1.00 0.00 N ATOM 902 CA ILE A 64 -0.958 5.898 7.640 1.00 0.00 C ATOM 903 C ILE A 64 -0.021 6.164 6.467 1.00 0.00 C ATOM 904 O ILE A 64 1.187 5.944 6.560 1.00 0.00 O ATOM 905 CB ILE A 64 -0.495 4.626 8.374 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.321 3.474 7.383 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.490 4.251 9.463 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.363 2.263 7.978 1.00 0.00 C ATOM 0 H ILE A 64 -2.636 4.830 6.979 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.920 6.741 8.331 1.00 0.00 H new ATOM 0 HB ILE A 64 0.469 4.825 8.843 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.300 3.179 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.258 3.825 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.149 3.350 9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.568 5.067 10.181 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.467 4.067 9.016 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.453 1.486 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.356 2.542 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.226 1.887 8.814 1.00 0.00 H new ATOM 920 N LEU A 65 -0.586 6.640 5.362 1.00 0.00 N ATOM 921 CA LEU A 65 0.199 6.939 4.169 1.00 0.00 C ATOM 922 C LEU A 65 0.058 8.406 3.778 1.00 0.00 C ATOM 923 O LEU A 65 -1.014 8.995 3.914 1.00 0.00 O ATOM 924 CB LEU A 65 -0.241 6.045 3.008 1.00 0.00 C ATOM 925 CG LEU A 65 0.075 4.556 3.150 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.410 3.789 1.930 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.567 4.345 3.357 1.00 0.00 C ATOM 0 H LEU A 65 -1.584 6.827 5.268 1.00 0.00 H new ATOM 0 HA LEU A 65 1.247 6.742 4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.317 6.157 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.230 6.410 2.096 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.450 4.174 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.176 2.731 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.488 3.913 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.086 4.172 1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.773 3.279 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.113 4.742 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.885 4.862 4.262 1.00 0.00 H new ATOM 939 N ALA A 66 1.148 8.990 3.290 1.00 0.00 N ATOM 940 CA ALA A 66 1.145 10.387 2.875 1.00 0.00 C ATOM 941 C ALA A 66 1.915 10.575 1.572 1.00 0.00 C ATOM 942 O ALA A 66 2.832 9.819 1.251 1.00 0.00 O ATOM 943 CB ALA A 66 1.734 11.264 3.970 1.00 0.00 C ATOM 0 H ALA A 66 2.044 8.517 3.173 1.00 0.00 H new ATOM 0 HA ALA A 66 0.111 10.686 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.726 12.305 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.139 11.161 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.760 10.955 4.171 1.00 0.00 H new ATOM 949 N PRO A 67 1.535 11.606 0.802 1.00 0.00 N ATOM 950 CA PRO A 67 2.178 11.916 -0.478 1.00 0.00 C ATOM 951 C PRO A 67 3.598 12.443 -0.302 1.00 0.00 C ATOM 952 O PRO A 67 3.805 13.639 -0.095 1.00 0.00 O ATOM 953 CB PRO A 67 1.275 12.999 -1.075 1.00 0.00 C ATOM 954 CG PRO A 67 0.622 13.638 0.102 1.00 0.00 C ATOM 955 CD PRO A 67 0.450 12.548 1.123 1.00 0.00 C ATOM 0 HA PRO A 67 2.280 11.032 -1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.852 13.724 -1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.537 12.570 -1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.235 14.448 0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.340 14.071 -0.173 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.539 12.932 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.529 12.075 1.045 1.00 0.00 H new ATOM 963 N PHE A 68 4.573 11.544 -0.385 1.00 0.00 N ATOM 964 CA PHE A 68 5.974 11.920 -0.234 1.00 0.00 C ATOM 965 C PHE A 68 6.364 12.986 -1.254 1.00 0.00 C ATOM 966 O PHE A 68 6.921 14.025 -0.899 1.00 0.00 O ATOM 967 CB PHE A 68 6.873 10.692 -0.394 1.00 0.00 C ATOM 968 CG PHE A 68 8.306 10.946 -0.023 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.623 11.664 1.119 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.336 10.467 -0.816 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.940 11.900 1.464 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.655 10.699 -0.476 1.00 0.00 C ATOM 973 CZ PHE A 68 10.958 11.417 0.665 1.00 0.00 C ATOM 0 H PHE A 68 4.419 10.550 -0.556 1.00 0.00 H new ATOM 0 HA PHE A 68 6.108 12.333 0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.484 9.883 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.829 10.351 -1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.831 12.044 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.105 9.906 -1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.173 12.461 2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.449 10.319 -1.102 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.988 11.600 0.932 1.00 0.00 H new ATOM 983 N SER A 69 6.068 12.720 -2.522 1.00 0.00 N ATOM 984 CA SER A 69 6.392 13.653 -3.595 1.00 0.00 C ATOM 985 C SER A 69 7.826 14.156 -3.463 1.00 0.00 C ATOM 986 O SER A 69 8.072 15.361 -3.418 1.00 0.00 O ATOM 987 CB SER A 69 5.421 14.836 -3.580 1.00 0.00 C ATOM 988 OG SER A 69 5.370 15.469 -4.847 1.00 0.00 O ATOM 0 H SER A 69 5.604 11.866 -2.832 1.00 0.00 H new ATOM 0 HA SER A 69 6.297 13.125 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.425 14.490 -3.302 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.731 15.556 -2.822 1.00 0.00 H new ATOM 0 HG SER A 69 4.742 16.220 -4.812 1.00 0.00 H new ATOM 994 N GLY A 70 8.771 13.223 -3.401 1.00 0.00 N ATOM 995 CA GLY A 70 10.169 13.590 -3.274 1.00 0.00 C ATOM 996 C GLY A 70 10.933 13.421 -4.573 1.00 0.00 C ATOM 997 O GLY A 70 10.359 13.124 -5.621 1.00 0.00 O ATOM 0 H GLY A 70 8.593 12.219 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.241 14.627 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.633 12.978 -2.501 1.00 0.00 H new ATOM 1001 N PRO A 71 12.259 13.614 -4.514 1.00 0.00 N ATOM 1002 CA PRO A 71 13.130 13.488 -5.686 1.00 0.00 C ATOM 1003 C PRO A 71 13.263 12.043 -6.157 1.00 0.00 C ATOM 1004 O PRO A 71 13.696 11.784 -7.279 1.00 0.00 O ATOM 1005 CB PRO A 71 14.478 14.012 -5.184 1.00 0.00 C ATOM 1006 CG PRO A 71 14.445 13.793 -3.711 1.00 0.00 C ATOM 1007 CD PRO A 71 13.009 13.970 -3.298 1.00 0.00 C ATOM 0 HA PRO A 71 12.738 14.032 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.308 13.476 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.607 15.067 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.804 12.796 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.090 14.505 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.749 13.322 -2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.804 14.994 -2.985 1.00 0.00 H new ATOM 1015 N SER A 72 12.887 11.107 -5.292 1.00 0.00 N ATOM 1016 CA SER A 72 12.967 9.688 -5.618 1.00 0.00 C ATOM 1017 C SER A 72 12.501 9.433 -7.049 1.00 0.00 C ATOM 1018 O SER A 72 11.480 9.964 -7.485 1.00 0.00 O ATOM 1019 CB SER A 72 12.121 8.869 -4.641 1.00 0.00 C ATOM 1020 OG SER A 72 12.637 7.558 -4.495 1.00 0.00 O ATOM 0 H SER A 72 12.524 11.306 -4.360 1.00 0.00 H new ATOM 0 HA SER A 72 14.009 9.379 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.099 9.365 -3.670 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.092 8.821 -4.998 1.00 0.00 H new ATOM 0 HG SER A 72 12.080 7.056 -3.864 1.00 0.00 H new ATOM 1026 N SER A 73 13.258 8.615 -7.774 1.00 0.00 N ATOM 1027 CA SER A 73 12.927 8.292 -9.156 1.00 0.00 C ATOM 1028 C SER A 73 13.160 9.494 -10.067 1.00 0.00 C ATOM 1029 O SER A 73 12.393 9.741 -10.996 1.00 0.00 O ATOM 1030 CB SER A 73 11.470 7.834 -9.260 1.00 0.00 C ATOM 1031 OG SER A 73 11.291 6.946 -10.350 1.00 0.00 O ATOM 0 H SER A 73 14.104 8.164 -7.427 1.00 0.00 H new ATOM 0 HA SER A 73 13.580 7.481 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.173 7.342 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.821 8.701 -9.383 1.00 0.00 H new ATOM 0 HG SER A 73 10.353 6.667 -10.394 1.00 0.00 H new ATOM 1037 N GLY A 74 14.227 10.238 -9.792 1.00 0.00 N ATOM 1038 CA GLY A 74 14.544 11.405 -10.594 1.00 0.00 C ATOM 1039 C GLY A 74 15.242 11.045 -11.890 1.00 0.00 C ATOM 1040 O GLY A 74 14.977 11.644 -12.933 1.00 0.00 O ATOM 0 H GLY A 74 14.877 10.053 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.626 11.948 -10.818 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.179 12.077 -10.017 1.00 0.00 H new TER 1044 GLY A 74