USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 853 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 10 MET CE :methyl 179:sc= 0 (180deg=-0.00178) USER MOD Set 1.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -125:sc= -1.62 (180deg=-4.45!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 4 MET CE :methyl -122:sc= -2.46 (180deg=-8.28!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -55:sc= 0.067 USER MOD Single : A -1 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -130:sc= -0.367 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.195 USER MOD Single : A 22 CYS SG : rot 161:sc= 1.03 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -3.21! K(o=-3.2!,f=0.56) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00988) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0313 (180deg=-0.313) USER MOD Single : A 43 ASN : amide:sc= 0.669 K(o=0.67,f=-0.9) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0184) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 73:sc= 0.501 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0168 (180deg=-0.249) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 61 CYS SG : rot 150:sc= -1.51 USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0.816 (180deg=-0.00428) USER MOD Single : A 63 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.3) USER MOD Single : A 65 SER OG : rot 173:sc= 1.37 USER MOD Single : A 68 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.9) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0226) USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -0.615 (180deg=-2.31!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0413) USER MOD Single : A 79 TYR OH : rot -6:sc= 1.23 USER MOD Single : A 80 HIS : no HD1:sc= -0.432 K(o=-0.43,f=-1.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.91 X(o=-1.9,f=-2!) USER MOD Single : A 91 SER OG : rot 8:sc= 0.308 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.01) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 103 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 20.099 1.266 12.667 1.00 0.00 N ATOM 2 CA GLY A -2 18.660 1.302 12.407 1.00 0.00 C ATOM 3 C GLY A -2 18.411 1.173 10.922 1.00 0.00 C ATOM 4 O GLY A -2 18.834 2.040 10.161 1.00 0.00 O ATOM 0 H1 GLY A -2 20.269 1.355 13.689 1.00 0.00 H new ATOM 0 H2 GLY A -2 20.491 0.364 12.328 1.00 0.00 H new ATOM 0 H3 GLY A -2 20.562 2.053 12.169 1.00 0.00 H new ATOM 0 HA2 GLY A -2 18.163 0.492 12.941 1.00 0.00 H new ATOM 0 HA3 GLY A -2 18.236 2.235 12.778 1.00 0.00 H new ATOM 8 N HIS A -1 17.761 0.084 10.507 1.00 0.00 N ATOM 9 CA HIS A -1 17.530 -0.301 9.118 1.00 0.00 C ATOM 10 C HIS A -1 16.121 -0.893 8.999 1.00 0.00 C ATOM 11 O HIS A -1 15.531 -1.278 10.012 1.00 0.00 O ATOM 12 CB HIS A -1 18.565 -1.368 8.720 1.00 0.00 C ATOM 13 CG HIS A -1 19.939 -0.892 8.289 1.00 0.00 C ATOM 14 ND1 HIS A -1 21.019 -1.724 8.072 1.00 0.00 N ATOM 15 CD2 HIS A -1 20.349 0.383 7.987 1.00 0.00 C ATOM 16 CE1 HIS A -1 22.049 -0.978 7.646 1.00 0.00 C ATOM 17 NE2 HIS A -1 21.706 0.321 7.647 1.00 0.00 N ATOM 0 H HIS A -1 17.362 -0.585 11.166 1.00 0.00 H new ATOM 0 HA HIS A -1 17.624 0.566 8.464 1.00 0.00 H new ATOM 0 HB2 HIS A -1 18.694 -2.042 9.567 1.00 0.00 H new ATOM 0 HB3 HIS A -1 18.143 -1.957 7.905 1.00 0.00 H new ATOM 0 HD2 HIS A -1 19.736 1.272 8.008 1.00 0.00 H new ATOM 0 HE1 HIS A -1 23.012 -1.364 7.346 1.00 0.00 H new ATOM 0 HE2 HIS A -1 22.317 1.111 7.440 1.00 0.00 H new ATOM 25 N MET A 1 15.591 -1.002 7.780 1.00 0.00 N ATOM 26 CA MET A 1 14.350 -1.695 7.464 1.00 0.00 C ATOM 27 C MET A 1 14.621 -3.092 6.903 1.00 0.00 C ATOM 28 O MET A 1 15.299 -3.236 5.881 1.00 0.00 O ATOM 29 CB MET A 1 13.558 -0.923 6.401 1.00 0.00 C ATOM 30 CG MET A 1 12.111 -1.429 6.402 1.00 0.00 C ATOM 31 SD MET A 1 11.207 -1.092 7.953 1.00 0.00 S ATOM 32 CE MET A 1 10.623 -2.740 8.439 1.00 0.00 C ATOM 0 H MET A 1 16.034 -0.593 6.957 1.00 0.00 H new ATOM 0 HA MET A 1 13.784 -1.768 8.393 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.585 0.146 6.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.007 -1.065 5.418 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.575 -0.967 5.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.113 -2.504 6.221 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.542 -2.717 8.575 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.876 -3.460 7.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.100 -3.034 9.374 1.00 0.00 H new ATOM 42 N ILE A 2 13.997 -4.113 7.491 1.00 0.00 N ATOM 43 CA ILE A 2 14.007 -5.489 7.002 1.00 0.00 C ATOM 44 C ILE A 2 12.566 -6.020 7.096 1.00 0.00 C ATOM 45 O ILE A 2 11.828 -5.610 7.988 1.00 0.00 O ATOM 46 CB ILE A 2 15.014 -6.329 7.835 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.407 -5.656 7.942 1.00 0.00 C ATOM 48 CG2 ILE A 2 15.139 -7.728 7.213 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.452 -6.458 8.726 1.00 0.00 C ATOM 0 H ILE A 2 13.454 -4.000 8.347 1.00 0.00 H new ATOM 0 HA ILE A 2 14.336 -5.552 5.965 1.00 0.00 H new ATOM 0 HB ILE A 2 14.628 -6.404 8.852 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.787 -5.478 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.288 -4.681 8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.845 -8.322 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 2 14.164 -8.216 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.497 -7.639 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.393 -5.908 8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.101 -6.614 9.746 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.607 -7.423 8.244 1.00 0.00 H new ATOM 61 N ASN A 3 12.163 -6.957 6.227 1.00 0.00 N ATOM 62 CA ASN A 3 10.893 -7.698 6.282 1.00 0.00 C ATOM 63 C ASN A 3 9.623 -6.859 6.061 1.00 0.00 C ATOM 64 O ASN A 3 8.525 -7.388 6.260 1.00 0.00 O ATOM 65 CB ASN A 3 10.799 -8.561 7.568 1.00 0.00 C ATOM 66 CG ASN A 3 11.412 -9.935 7.384 1.00 0.00 C ATOM 67 OD1 ASN A 3 12.541 -10.192 7.791 1.00 0.00 O ATOM 68 ND2 ASN A 3 10.685 -10.871 6.792 1.00 0.00 N ATOM 0 H ASN A 3 12.738 -7.232 5.431 1.00 0.00 H new ATOM 0 HA ASN A 3 10.924 -8.358 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.304 -8.047 8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.753 -8.668 7.856 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.063 -11.811 6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.747 -10.652 6.456 1.00 0.00 H new ATOM 75 N MET A 4 9.715 -5.587 5.662 1.00 0.00 N ATOM 76 CA MET A 4 8.531 -4.752 5.424 1.00 0.00 C ATOM 77 C MET A 4 7.768 -5.254 4.193 1.00 0.00 C ATOM 78 O MET A 4 8.337 -5.887 3.298 1.00 0.00 O ATOM 79 CB MET A 4 8.928 -3.270 5.276 1.00 0.00 C ATOM 80 CG MET A 4 7.752 -2.282 5.276 1.00 0.00 C ATOM 81 SD MET A 4 8.008 -0.794 6.285 1.00 0.00 S ATOM 82 CE MET A 4 9.189 0.198 5.318 1.00 0.00 C ATOM 0 H MET A 4 10.601 -5.110 5.496 1.00 0.00 H new ATOM 0 HA MET A 4 7.869 -4.828 6.286 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.604 -3.007 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.485 -3.149 4.347 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.552 -1.977 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.862 -2.799 5.635 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.079 0.391 5.917 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.470 -0.347 4.417 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.727 1.145 5.040 1.00 0.00 H new ATOM 92 N LYS A 5 6.473 -4.948 4.145 1.00 0.00 N ATOM 93 CA LYS A 5 5.572 -5.198 3.022 1.00 0.00 C ATOM 94 C LYS A 5 4.674 -3.973 2.872 1.00 0.00 C ATOM 95 O LYS A 5 4.252 -3.416 3.888 1.00 0.00 O ATOM 96 CB LYS A 5 4.703 -6.426 3.315 1.00 0.00 C ATOM 97 CG LYS A 5 5.437 -7.730 3.079 1.00 0.00 C ATOM 98 CD LYS A 5 4.563 -8.922 3.480 1.00 0.00 C ATOM 99 CE LYS A 5 5.500 -10.115 3.632 1.00 0.00 C ATOM 100 NZ LYS A 5 5.010 -11.329 2.956 1.00 0.00 N ATOM 0 H LYS A 5 6.000 -4.496 4.928 1.00 0.00 H new ATOM 0 HA LYS A 5 6.142 -5.380 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.363 -6.387 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.813 -6.395 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.714 -7.813 2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.363 -7.741 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.037 -8.721 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.804 -9.119 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.479 -9.853 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.637 -10.328 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.690 -12.103 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.089 -11.601 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.904 -11.141 1.939 1.00 0.00 H new ATOM 114 N VAL A 6 4.285 -3.622 1.649 1.00 0.00 N ATOM 115 CA VAL A 6 3.370 -2.526 1.352 1.00 0.00 C ATOM 116 C VAL A 6 2.412 -2.991 0.283 1.00 0.00 C ATOM 117 O VAL A 6 2.863 -3.555 -0.707 1.00 0.00 O ATOM 118 CB VAL A 6 4.135 -1.294 0.845 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.235 -0.243 0.174 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.855 -0.619 1.989 1.00 0.00 C ATOM 0 H VAL A 6 4.608 -4.108 0.813 1.00 0.00 H new ATOM 0 HA VAL A 6 2.836 -2.246 2.260 1.00 0.00 H new ATOM 0 HB VAL A 6 4.832 -1.671 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.843 0.598 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.732 -0.689 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.491 0.108 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.393 0.253 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.130 -0.304 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.562 -1.318 2.437 1.00 0.00 H new ATOM 130 N ALA A 7 1.121 -2.714 0.446 1.00 0.00 N ATOM 131 CA ALA A 7 0.144 -2.853 -0.615 1.00 0.00 C ATOM 132 C ALA A 7 0.105 -1.550 -1.413 1.00 0.00 C ATOM 133 O ALA A 7 -0.151 -0.483 -0.861 1.00 0.00 O ATOM 134 CB ALA A 7 -1.226 -3.149 -0.009 1.00 0.00 C ATOM 0 H ALA A 7 0.727 -2.385 1.327 1.00 0.00 H new ATOM 0 HA ALA A 7 0.415 -3.676 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.962 -3.254 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.178 -4.075 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.518 -2.330 0.648 1.00 0.00 H new ATOM 140 N ILE A 8 0.319 -1.631 -2.720 1.00 0.00 N ATOM 141 CA ILE A 8 0.124 -0.532 -3.655 1.00 0.00 C ATOM 142 C ILE A 8 -1.182 -0.840 -4.384 1.00 0.00 C ATOM 143 O ILE A 8 -1.265 -1.848 -5.085 1.00 0.00 O ATOM 144 CB ILE A 8 1.363 -0.383 -4.574 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.591 -0.065 -3.693 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.145 0.737 -5.604 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.835 0.448 -4.425 1.00 0.00 C ATOM 0 H ILE A 8 0.642 -2.487 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 8 0.036 0.441 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 8 1.525 -1.312 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.298 0.680 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.863 -0.968 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.027 0.824 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.277 0.501 -6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.976 1.681 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.630 0.636 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.168 -0.300 -5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.594 1.373 -4.948 1.00 0.00 H new ATOM 159 N SER A 9 -2.223 -0.039 -4.163 1.00 0.00 N ATOM 160 CA SER A 9 -3.503 -0.130 -4.853 1.00 0.00 C ATOM 161 C SER A 9 -3.324 0.216 -6.344 1.00 0.00 C ATOM 162 O SER A 9 -3.380 1.378 -6.741 1.00 0.00 O ATOM 163 CB SER A 9 -4.462 0.836 -4.152 1.00 0.00 C ATOM 164 OG SER A 9 -4.484 0.622 -2.750 1.00 0.00 O ATOM 0 H SER A 9 -2.195 0.715 -3.476 1.00 0.00 H new ATOM 0 HA SER A 9 -3.909 -1.141 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.161 1.863 -4.359 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.467 0.710 -4.556 1.00 0.00 H new ATOM 0 HG SER A 9 -4.697 -0.317 -2.566 1.00 0.00 H new ATOM 170 N MET A 10 -3.076 -0.786 -7.184 1.00 0.00 N ATOM 171 CA MET A 10 -2.772 -0.620 -8.601 1.00 0.00 C ATOM 172 C MET A 10 -4.043 -0.694 -9.452 1.00 0.00 C ATOM 173 O MET A 10 -5.063 -1.268 -9.062 1.00 0.00 O ATOM 174 CB MET A 10 -1.803 -1.723 -9.053 1.00 0.00 C ATOM 175 CG MET A 10 -0.399 -1.590 -8.456 1.00 0.00 C ATOM 176 SD MET A 10 0.562 -0.155 -9.003 1.00 0.00 S ATOM 177 CE MET A 10 1.111 -0.749 -10.621 1.00 0.00 C ATOM 0 H MET A 10 -3.081 -1.762 -6.889 1.00 0.00 H new ATOM 0 HA MET A 10 -2.318 0.361 -8.736 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.216 -2.693 -8.776 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.729 -1.707 -10.140 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.489 -1.550 -7.370 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.164 -2.492 -8.696 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.706 0.023 -11.109 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.716 -1.647 -10.493 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.242 -0.982 -11.237 1.00 0.00 H new ATOM 187 N ASP A 11 -3.934 -0.143 -10.656 1.00 0.00 N ATOM 188 CA ASP A 11 -4.840 -0.307 -11.784 1.00 0.00 C ATOM 189 C ASP A 11 -4.316 -1.441 -12.661 1.00 0.00 C ATOM 190 O ASP A 11 -4.760 -2.578 -12.532 1.00 0.00 O ATOM 191 CB ASP A 11 -4.895 1.026 -12.546 1.00 0.00 C ATOM 192 CG ASP A 11 -5.901 1.000 -13.687 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.104 1.248 -13.415 1.00 0.00 O ATOM 194 OD2 ASP A 11 -5.479 0.840 -14.844 1.00 0.00 O ATOM 0 H ASP A 11 -3.154 0.474 -10.884 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.849 -0.565 -11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.155 1.827 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.906 1.256 -12.942 1.00 0.00 H new ATOM 199 N VAL A 12 -3.340 -1.154 -13.521 1.00 0.00 N ATOM 200 CA VAL A 12 -2.838 -2.071 -14.539 1.00 0.00 C ATOM 201 C VAL A 12 -1.328 -1.886 -14.576 1.00 0.00 C ATOM 202 O VAL A 12 -0.590 -2.819 -14.275 1.00 0.00 O ATOM 203 CB VAL A 12 -3.545 -1.811 -15.892 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.888 -2.566 -17.056 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.023 -2.239 -15.861 1.00 0.00 C ATOM 0 H VAL A 12 -2.864 -0.252 -13.528 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.056 -3.114 -14.311 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.458 -0.736 -16.047 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.424 -2.348 -17.980 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.850 -2.250 -17.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.924 -3.638 -16.861 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.480 -2.039 -16.830 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.089 -3.305 -15.642 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.548 -1.677 -15.089 1.00 0.00 H new ATOM 215 N ASP A 13 -0.853 -0.670 -14.870 1.00 0.00 N ATOM 216 CA ASP A 13 0.581 -0.387 -14.888 1.00 0.00 C ATOM 217 C ASP A 13 0.962 0.731 -13.921 1.00 0.00 C ATOM 218 O ASP A 13 2.126 1.117 -13.868 1.00 0.00 O ATOM 219 CB ASP A 13 1.078 -0.088 -16.321 1.00 0.00 C ATOM 220 CG ASP A 13 1.170 -1.314 -17.231 1.00 0.00 C ATOM 221 OD1 ASP A 13 1.892 -2.285 -16.890 1.00 0.00 O ATOM 222 OD2 ASP A 13 0.563 -1.302 -18.319 1.00 0.00 O ATOM 0 H ASP A 13 -1.442 0.131 -15.098 1.00 0.00 H new ATOM 0 HA ASP A 13 1.086 -1.289 -14.542 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.408 0.639 -16.780 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.061 0.378 -16.261 1.00 0.00 H new ATOM 227 N LYS A 14 0.017 1.276 -13.152 1.00 0.00 N ATOM 228 CA LYS A 14 0.220 2.431 -12.278 1.00 0.00 C ATOM 229 C LYS A 14 -0.681 2.327 -11.057 1.00 0.00 C ATOM 230 O LYS A 14 -1.598 1.500 -11.032 1.00 0.00 O ATOM 231 CB LYS A 14 -0.077 3.743 -13.034 1.00 0.00 C ATOM 232 CG LYS A 14 -1.430 3.755 -13.774 1.00 0.00 C ATOM 233 CD LYS A 14 -1.340 3.204 -15.212 1.00 0.00 C ATOM 234 CE LYS A 14 -1.991 4.182 -16.193 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.229 4.349 -17.443 1.00 0.00 N ATOM 0 H LYS A 14 -0.937 0.915 -13.120 1.00 0.00 H new ATOM 0 HA LYS A 14 1.262 2.440 -11.957 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.056 4.570 -12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.720 3.922 -13.755 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.151 3.164 -13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.810 4.776 -13.806 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.297 3.045 -15.484 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.836 2.235 -15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.995 3.831 -16.432 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.099 5.153 -15.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.722 5.023 -18.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.279 4.711 -17.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.147 3.431 -17.925 1.00 0.00 H new ATOM 249 N ILE A 15 -0.444 3.216 -10.094 1.00 0.00 N ATOM 250 CA ILE A 15 -1.304 3.481 -8.949 1.00 0.00 C ATOM 251 C ILE A 15 -2.713 3.799 -9.474 1.00 0.00 C ATOM 252 O ILE A 15 -2.857 4.467 -10.508 1.00 0.00 O ATOM 253 CB ILE A 15 -0.654 4.632 -8.135 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.662 4.138 -7.491 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.600 5.208 -7.068 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.602 5.260 -7.046 1.00 0.00 C ATOM 0 H ILE A 15 0.394 3.797 -10.094 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.407 2.628 -8.278 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.438 5.445 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.421 3.518 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.186 3.502 -8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.095 6.009 -6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.495 5.602 -7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.882 4.421 -6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.501 4.828 -6.605 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.877 5.868 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.099 5.884 -6.307 1.00 0.00 H new ATOM 268 N SER A 16 -3.735 3.284 -8.790 1.00 0.00 N ATOM 269 CA SER A 16 -5.145 3.542 -9.046 1.00 0.00 C ATOM 270 C SER A 16 -5.534 4.953 -8.567 1.00 0.00 C ATOM 271 O SER A 16 -4.719 5.711 -8.042 1.00 0.00 O ATOM 272 CB SER A 16 -5.984 2.452 -8.367 1.00 0.00 C ATOM 273 OG SER A 16 -7.352 2.607 -8.661 1.00 0.00 O ATOM 0 H SER A 16 -3.591 2.646 -8.007 1.00 0.00 H new ATOM 0 HA SER A 16 -5.340 3.509 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.647 1.470 -8.699 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.834 2.493 -7.288 1.00 0.00 H new ATOM 0 HG SER A 16 -7.871 2.577 -7.830 1.00 0.00 H new ATOM 279 N ASN A 17 -6.809 5.305 -8.738 1.00 0.00 N ATOM 280 CA ASN A 17 -7.344 6.603 -8.348 1.00 0.00 C ATOM 281 C ASN A 17 -7.776 6.619 -6.882 1.00 0.00 C ATOM 282 O ASN A 17 -7.600 7.646 -6.234 1.00 0.00 O ATOM 283 CB ASN A 17 -8.484 7.061 -9.271 1.00 0.00 C ATOM 284 CG ASN A 17 -8.412 8.581 -9.416 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.554 9.078 -10.139 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.251 9.350 -8.745 1.00 0.00 N ATOM 0 H ASN A 17 -7.504 4.687 -9.156 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.532 7.322 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.396 6.583 -10.247 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.448 6.766 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.188 10.365 -8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.961 8.929 -8.146 1.00 0.00 H new ATOM 293 N SER A 18 -8.294 5.504 -6.343 1.00 0.00 N ATOM 294 CA SER A 18 -8.550 5.319 -4.917 1.00 0.00 C ATOM 295 C SER A 18 -8.492 3.823 -4.562 1.00 0.00 C ATOM 296 O SER A 18 -8.466 2.952 -5.432 1.00 0.00 O ATOM 297 CB SER A 18 -9.895 5.954 -4.508 1.00 0.00 C ATOM 298 OG SER A 18 -10.074 5.874 -3.111 1.00 0.00 O ATOM 0 H SER A 18 -8.550 4.692 -6.904 1.00 0.00 H new ATOM 0 HA SER A 18 -7.772 5.831 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.923 6.996 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.714 5.444 -5.015 1.00 0.00 H new ATOM 0 HG SER A 18 -10.931 6.282 -2.867 1.00 0.00 H new ATOM 304 N PHE A 19 -8.467 3.530 -3.262 1.00 0.00 N ATOM 305 CA PHE A 19 -8.460 2.201 -2.655 1.00 0.00 C ATOM 306 C PHE A 19 -9.789 1.462 -2.904 1.00 0.00 C ATOM 307 O PHE A 19 -9.840 0.236 -2.863 1.00 0.00 O ATOM 308 CB PHE A 19 -8.204 2.375 -1.149 1.00 0.00 C ATOM 309 CG PHE A 19 -8.053 1.100 -0.337 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.192 0.388 0.079 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.781 0.652 0.064 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.064 -0.772 0.862 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.661 -0.482 0.886 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.798 -1.203 1.284 1.00 0.00 C ATOM 0 H PHE A 19 -8.450 4.267 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.676 1.593 -3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.299 2.969 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.026 2.953 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.174 0.736 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.896 1.180 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.944 -1.334 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.683 -0.802 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.699 -2.079 1.908 1.00 0.00 H new ATOM 324 N GLU A 20 -10.878 2.190 -3.169 1.00 0.00 N ATOM 325 CA GLU A 20 -12.182 1.645 -3.539 1.00 0.00 C ATOM 326 C GLU A 20 -12.386 1.695 -5.065 1.00 0.00 C ATOM 327 O GLU A 20 -13.513 1.732 -5.559 1.00 0.00 O ATOM 328 CB GLU A 20 -13.284 2.391 -2.750 1.00 0.00 C ATOM 329 CG GLU A 20 -14.082 1.385 -1.925 1.00 0.00 C ATOM 330 CD GLU A 20 -15.438 1.907 -1.462 1.00 0.00 C ATOM 331 OE1 GLU A 20 -16.422 1.864 -2.241 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.507 2.338 -0.286 1.00 0.00 O ATOM 0 H GLU A 20 -10.873 3.209 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.239 0.591 -3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.836 3.140 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.944 2.920 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.233 0.482 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.496 1.099 -1.052 1.00 0.00 H new ATOM 339 N ASP A 21 -11.291 1.810 -5.817 1.00 0.00 N ATOM 340 CA ASP A 21 -11.268 1.879 -7.285 1.00 0.00 C ATOM 341 C ASP A 21 -10.131 1.035 -7.872 1.00 0.00 C ATOM 342 O ASP A 21 -10.007 0.894 -9.095 1.00 0.00 O ATOM 343 CB ASP A 21 -11.094 3.349 -7.719 1.00 0.00 C ATOM 344 CG ASP A 21 -12.259 3.884 -8.542 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.222 3.797 -9.789 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.135 4.557 -7.930 1.00 0.00 O ATOM 0 H ASP A 21 -10.358 1.860 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.210 1.480 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.972 3.969 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.177 3.441 -8.300 1.00 0.00 H new ATOM 351 N CYS A 22 -9.260 0.502 -7.010 1.00 0.00 N ATOM 352 CA CYS A 22 -8.110 -0.253 -7.450 1.00 0.00 C ATOM 353 C CYS A 22 -8.545 -1.619 -7.932 1.00 0.00 C ATOM 354 O CYS A 22 -9.558 -2.170 -7.512 1.00 0.00 O ATOM 355 CB CYS A 22 -7.051 -0.318 -6.351 1.00 0.00 C ATOM 356 SG CYS A 22 -7.711 -1.071 -4.841 1.00 0.00 S ATOM 0 H CYS A 22 -9.342 0.587 -5.997 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.642 0.253 -8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.195 -0.894 -6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.691 0.687 -6.131 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.728 -1.485 -4.097 1.00 0.00 H new ATOM 362 N LYS A 23 -7.729 -2.171 -8.811 1.00 0.00 N ATOM 363 CA LYS A 23 -7.967 -3.469 -9.432 1.00 0.00 C ATOM 364 C LYS A 23 -7.284 -4.546 -8.620 1.00 0.00 C ATOM 365 O LYS A 23 -7.805 -5.649 -8.494 1.00 0.00 O ATOM 366 CB LYS A 23 -7.435 -3.422 -10.869 1.00 0.00 C ATOM 367 CG LYS A 23 -8.348 -2.751 -11.910 1.00 0.00 C ATOM 368 CD LYS A 23 -9.310 -1.694 -11.360 1.00 0.00 C ATOM 369 CE LYS A 23 -10.269 -1.139 -12.405 1.00 0.00 C ATOM 370 NZ LYS A 23 -11.468 -1.991 -12.520 1.00 0.00 N ATOM 0 H LYS A 23 -6.866 -1.725 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.032 -3.700 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.479 -2.898 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.237 -4.443 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.721 -2.286 -12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.932 -3.525 -12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.887 -2.130 -10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.731 -0.873 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.563 -0.125 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.767 -1.078 -13.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.108 -1.595 -13.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.186 -2.952 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.957 -2.028 -11.603 1.00 0.00 H new ATOM 384 N TYR A 24 -6.134 -4.240 -8.029 1.00 0.00 N ATOM 385 CA TYR A 24 -5.432 -5.166 -7.172 1.00 0.00 C ATOM 386 C TYR A 24 -4.491 -4.398 -6.256 1.00 0.00 C ATOM 387 O TYR A 24 -4.328 -3.179 -6.369 1.00 0.00 O ATOM 388 CB TYR A 24 -4.683 -6.195 -8.029 1.00 0.00 C ATOM 389 CG TYR A 24 -3.506 -5.649 -8.796 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.716 -4.912 -9.970 1.00 0.00 C ATOM 391 CD2 TYR A 24 -2.197 -5.939 -8.380 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.616 -4.475 -10.728 1.00 0.00 C ATOM 393 CE2 TYR A 24 -1.106 -5.528 -9.139 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.295 -4.801 -10.336 1.00 0.00 C ATOM 395 OH TYR A 24 -0.243 -4.466 -11.141 1.00 0.00 O ATOM 0 H TYR A 24 -5.668 -3.339 -8.136 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.140 -5.708 -6.545 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.334 -7.000 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.385 -6.637 -8.736 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.721 -4.681 -10.291 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.036 -6.486 -7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.780 -3.885 -11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.105 -5.767 -8.810 1.00 0.00 H new ATOM 0 HH TYR A 24 0.594 -4.761 -10.725 1.00 0.00 H new ATOM 405 N PHE A 25 -3.858 -5.136 -5.358 1.00 0.00 N ATOM 406 CA PHE A 25 -2.903 -4.658 -4.395 1.00 0.00 C ATOM 407 C PHE A 25 -1.593 -5.340 -4.725 1.00 0.00 C ATOM 408 O PHE A 25 -1.478 -6.558 -4.569 1.00 0.00 O ATOM 409 CB PHE A 25 -3.392 -5.026 -3.003 1.00 0.00 C ATOM 410 CG PHE A 25 -4.723 -4.418 -2.618 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.869 -3.021 -2.581 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.818 -5.254 -2.327 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.110 -2.466 -2.215 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.061 -4.695 -1.982 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.202 -3.298 -1.917 1.00 0.00 C ATOM 0 H PHE A 25 -4.012 -6.142 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.776 -3.576 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.471 -6.111 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.642 -4.715 -2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.037 -2.379 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.703 -6.327 -2.369 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.223 -1.393 -2.163 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.904 -5.336 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.151 -2.864 -1.638 1.00 0.00 H new ATOM 425 N LEU A 26 -0.630 -4.584 -5.251 1.00 0.00 N ATOM 426 CA LEU A 26 0.724 -5.071 -5.423 1.00 0.00 C ATOM 427 C LEU A 26 1.397 -5.019 -4.055 1.00 0.00 C ATOM 428 O LEU A 26 1.698 -3.934 -3.567 1.00 0.00 O ATOM 429 CB LEU A 26 1.480 -4.258 -6.488 1.00 0.00 C ATOM 430 CG LEU A 26 2.661 -4.973 -7.156 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.679 -5.513 -6.184 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.261 -6.158 -8.047 1.00 0.00 C ATOM 0 H LEU A 26 -0.772 -3.624 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 26 0.726 -6.097 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.773 -3.962 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.848 -3.342 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 26 3.089 -4.173 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.482 -6.004 -6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.091 -4.693 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.201 -6.233 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.155 -6.606 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.736 -6.902 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.608 -5.808 -8.846 1.00 0.00 H new ATOM 444 N ILE A 27 1.574 -6.165 -3.401 1.00 0.00 N ATOM 445 CA ILE A 27 2.429 -6.317 -2.236 1.00 0.00 C ATOM 446 C ILE A 27 3.873 -6.156 -2.721 1.00 0.00 C ATOM 447 O ILE A 27 4.454 -7.088 -3.277 1.00 0.00 O ATOM 448 CB ILE A 27 2.200 -7.654 -1.492 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.702 -7.959 -1.274 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.969 -7.674 -0.155 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.081 -6.895 -0.478 1.00 0.00 C ATOM 0 H ILE A 27 1.113 -7.032 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 27 2.189 -5.555 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 27 2.592 -8.446 -2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.228 -8.081 -2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.615 -8.914 -0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.794 -8.623 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.036 -7.557 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.622 -6.856 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.121 -7.205 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.359 -6.786 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.034 -5.941 -1.003 1.00 0.00 H new ATOM 463 N VAL A 28 4.458 -4.978 -2.546 1.00 0.00 N ATOM 464 CA VAL A 28 5.903 -4.792 -2.582 1.00 0.00 C ATOM 465 C VAL A 28 6.427 -5.369 -1.272 1.00 0.00 C ATOM 466 O VAL A 28 5.761 -5.228 -0.240 1.00 0.00 O ATOM 467 CB VAL A 28 6.252 -3.290 -2.672 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.728 -3.082 -3.053 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.405 -2.531 -3.694 1.00 0.00 C ATOM 0 H VAL A 28 3.938 -4.117 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 28 6.346 -5.282 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 28 6.044 -2.895 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.943 -2.015 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.367 -3.542 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.922 -3.542 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.702 -1.482 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.556 -2.962 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.352 -2.607 -3.422 1.00 0.00 H new ATOM 479 N ARG A 29 7.633 -5.941 -1.256 1.00 0.00 N ATOM 480 CA ARG A 29 8.298 -6.296 -0.003 1.00 0.00 C ATOM 481 C ARG A 29 9.702 -5.729 -0.015 1.00 0.00 C ATOM 482 O ARG A 29 10.379 -5.809 -1.047 1.00 0.00 O ATOM 483 CB ARG A 29 8.223 -7.810 0.232 1.00 0.00 C ATOM 484 CG ARG A 29 9.309 -8.630 -0.429 1.00 0.00 C ATOM 485 CD ARG A 29 10.563 -8.849 0.427 1.00 0.00 C ATOM 486 NE ARG A 29 11.408 -9.918 -0.140 1.00 0.00 N ATOM 487 CZ ARG A 29 12.251 -10.705 0.544 1.00 0.00 C ATOM 488 NH1 ARG A 29 12.320 -10.635 1.868 1.00 0.00 N ATOM 489 NH2 ARG A 29 13.049 -11.546 -0.107 1.00 0.00 N ATOM 0 H ARG A 29 8.167 -6.167 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 29 7.789 -5.852 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.256 -7.995 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.256 -8.167 -0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.897 -9.602 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.601 -8.139 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.134 -7.922 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.272 -9.111 1.444 1.00 0.00 H new ATOM 0 HE ARG A 29 11.345 -10.073 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.728 -9.978 2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.965 -11.239 2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.019 -11.592 -1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.691 -12.145 0.412 1.00 0.00 H new ATOM 503 N ILE A 30 10.140 -5.219 1.127 1.00 0.00 N ATOM 504 CA ILE A 30 11.461 -4.650 1.314 1.00 0.00 C ATOM 505 C ILE A 30 12.212 -5.607 2.222 1.00 0.00 C ATOM 506 O ILE A 30 11.642 -6.181 3.158 1.00 0.00 O ATOM 507 CB ILE A 30 11.355 -3.230 1.906 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.663 -2.263 0.921 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.727 -2.678 2.345 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.048 -1.058 1.640 1.00 0.00 C ATOM 0 H ILE A 30 9.568 -5.190 1.971 1.00 0.00 H new ATOM 0 HA ILE A 30 11.997 -4.537 0.371 1.00 0.00 H new ATOM 0 HB ILE A 30 10.736 -3.307 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.387 -1.915 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.885 -2.796 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.602 -1.676 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.155 -3.331 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.395 -2.637 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.572 -0.403 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.304 -1.403 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.830 -0.509 2.164 1.00 0.00 H new ATOM 522 N ASP A 31 13.498 -5.779 1.955 1.00 0.00 N ATOM 523 CA ASP A 31 14.399 -6.573 2.759 1.00 0.00 C ATOM 524 C ASP A 31 15.762 -5.918 2.641 1.00 0.00 C ATOM 525 O ASP A 31 16.207 -5.659 1.524 1.00 0.00 O ATOM 526 CB ASP A 31 14.409 -8.007 2.244 1.00 0.00 C ATOM 527 CG ASP A 31 14.580 -8.988 3.389 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.597 -9.198 4.140 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.626 -9.667 3.451 1.00 0.00 O ATOM 0 H ASP A 31 13.952 -5.354 1.146 1.00 0.00 H new ATOM 0 HA ASP A 31 14.096 -6.616 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.478 -8.215 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.219 -8.135 1.525 1.00 0.00 H new ATOM 534 N ASP A 32 16.357 -5.572 3.781 1.00 0.00 N ATOM 535 CA ASP A 32 17.593 -4.799 3.896 1.00 0.00 C ATOM 536 C ASP A 32 17.594 -3.596 2.946 1.00 0.00 C ATOM 537 O ASP A 32 18.440 -3.429 2.066 1.00 0.00 O ATOM 538 CB ASP A 32 18.830 -5.711 3.815 1.00 0.00 C ATOM 539 CG ASP A 32 20.046 -5.027 4.438 1.00 0.00 C ATOM 540 OD1 ASP A 32 20.104 -4.960 5.688 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.881 -4.452 3.704 1.00 0.00 O ATOM 0 H ASP A 32 15.974 -5.834 4.690 1.00 0.00 H new ATOM 0 HA ASP A 32 17.647 -4.354 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.630 -6.650 4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 32 19.039 -5.958 2.774 1.00 0.00 H new ATOM 546 N ASN A 33 16.563 -2.769 3.145 1.00 0.00 N ATOM 547 CA ASN A 33 16.237 -1.519 2.449 1.00 0.00 C ATOM 548 C ASN A 33 16.258 -1.629 0.919 1.00 0.00 C ATOM 549 O ASN A 33 16.497 -0.616 0.261 1.00 0.00 O ATOM 550 CB ASN A 33 17.050 -0.285 2.918 1.00 0.00 C ATOM 551 CG ASN A 33 17.588 -0.222 4.334 1.00 0.00 C ATOM 552 OD1 ASN A 33 18.583 0.442 4.593 1.00 0.00 O ATOM 553 ND2 ASN A 33 16.977 -0.891 5.288 1.00 0.00 N ATOM 0 H ASN A 33 15.871 -2.977 3.865 1.00 0.00 H new ATOM 0 HA ASN A 33 15.203 -1.345 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.900 -0.182 2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 33 16.420 0.592 2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.333 -0.856 6.243 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.148 -1.444 5.072 1.00 0.00 H new ATOM 560 N GLU A 34 15.987 -2.795 0.328 1.00 0.00 N ATOM 561 CA GLU A 34 15.718 -2.897 -1.103 1.00 0.00 C ATOM 562 C GLU A 34 14.468 -3.731 -1.370 1.00 0.00 C ATOM 563 O GLU A 34 14.109 -4.604 -0.577 1.00 0.00 O ATOM 564 CB GLU A 34 16.891 -3.567 -1.803 1.00 0.00 C ATOM 565 CG GLU A 34 18.186 -2.766 -1.929 1.00 0.00 C ATOM 566 CD GLU A 34 19.174 -3.674 -2.656 1.00 0.00 C ATOM 567 OE1 GLU A 34 19.898 -4.463 -1.994 1.00 0.00 O ATOM 568 OE2 GLU A 34 19.163 -3.691 -3.905 1.00 0.00 O ATOM 0 H GLU A 34 15.949 -3.685 0.824 1.00 0.00 H new ATOM 0 HA GLU A 34 15.568 -1.887 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 17.117 -4.491 -1.271 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.569 -3.847 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.021 -1.844 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.566 -2.482 -0.948 1.00 0.00 H new ATOM 575 N VAL A 35 13.848 -3.527 -2.533 1.00 0.00 N ATOM 576 CA VAL A 35 12.772 -4.372 -3.036 1.00 0.00 C ATOM 577 C VAL A 35 13.360 -5.729 -3.439 1.00 0.00 C ATOM 578 O VAL A 35 14.252 -5.809 -4.294 1.00 0.00 O ATOM 579 CB VAL A 35 11.981 -3.660 -4.158 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.828 -3.187 -5.352 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.824 -4.535 -4.663 1.00 0.00 C ATOM 0 H VAL A 35 14.085 -2.758 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 35 12.033 -4.559 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 35 11.595 -2.757 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.184 -2.701 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.582 -2.480 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.319 -4.045 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.286 -4.008 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.221 -5.471 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.143 -4.748 -3.839 1.00 0.00 H new ATOM 591 N LYS A 36 12.882 -6.811 -2.810 1.00 0.00 N ATOM 592 CA LYS A 36 13.394 -8.158 -3.092 1.00 0.00 C ATOM 593 C LYS A 36 12.315 -9.179 -3.468 1.00 0.00 C ATOM 594 O LYS A 36 12.674 -10.308 -3.781 1.00 0.00 O ATOM 595 CB LYS A 36 14.268 -8.705 -1.947 1.00 0.00 C ATOM 596 CG LYS A 36 15.320 -7.823 -1.267 1.00 0.00 C ATOM 597 CD LYS A 36 16.431 -7.261 -2.152 1.00 0.00 C ATOM 598 CE LYS A 36 17.652 -6.888 -1.301 1.00 0.00 C ATOM 599 NZ LYS A 36 18.470 -8.049 -0.923 1.00 0.00 N ATOM 0 H LYS A 36 12.145 -6.780 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 36 14.017 -8.025 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.591 -9.053 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.788 -9.582 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.806 -6.985 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.783 -8.403 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.714 -7.998 -2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.070 -6.383 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.270 -6.181 -1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.316 -6.379 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.942 -7.860 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.861 -8.887 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.186 -8.223 -1.657 1.00 0.00 H new ATOM 613 N SER A 37 11.009 -8.895 -3.385 1.00 0.00 N ATOM 614 CA SER A 37 9.979 -9.714 -4.031 1.00 0.00 C ATOM 615 C SER A 37 8.734 -8.835 -4.227 1.00 0.00 C ATOM 616 O SER A 37 8.662 -7.717 -3.703 1.00 0.00 O ATOM 617 CB SER A 37 9.726 -10.977 -3.177 1.00 0.00 C ATOM 618 OG SER A 37 8.738 -11.857 -3.676 1.00 0.00 O ATOM 0 H SER A 37 10.639 -8.095 -2.871 1.00 0.00 H new ATOM 0 HA SER A 37 10.287 -10.070 -5.014 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.663 -11.525 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.437 -10.665 -2.173 1.00 0.00 H new ATOM 0 HG SER A 37 8.649 -12.625 -3.073 1.00 0.00 H new ATOM 624 N THR A 38 7.758 -9.348 -4.972 1.00 0.00 N ATOM 625 CA THR A 38 6.496 -8.688 -5.291 1.00 0.00 C ATOM 626 C THR A 38 5.357 -9.725 -5.287 1.00 0.00 C ATOM 627 O THR A 38 5.599 -10.919 -5.493 1.00 0.00 O ATOM 628 CB THR A 38 6.608 -7.929 -6.641 1.00 0.00 C ATOM 629 OG1 THR A 38 7.483 -8.575 -7.567 1.00 0.00 O ATOM 630 CG2 THR A 38 7.093 -6.489 -6.430 1.00 0.00 C ATOM 0 H THR A 38 7.829 -10.277 -5.388 1.00 0.00 H new ATOM 0 HA THR A 38 6.265 -7.942 -4.531 1.00 0.00 H new ATOM 0 HB THR A 38 5.603 -7.926 -7.062 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.517 -8.059 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.161 -5.983 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.388 -5.958 -5.790 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.075 -6.501 -5.956 1.00 0.00 H new ATOM 638 N LYS A 39 4.115 -9.294 -5.076 1.00 0.00 N ATOM 639 CA LYS A 39 2.909 -10.122 -5.069 1.00 0.00 C ATOM 640 C LYS A 39 1.726 -9.281 -5.507 1.00 0.00 C ATOM 641 O LYS A 39 1.697 -8.089 -5.279 1.00 0.00 O ATOM 642 CB LYS A 39 2.590 -10.537 -3.616 1.00 0.00 C ATOM 643 CG LYS A 39 2.489 -12.031 -3.375 1.00 0.00 C ATOM 644 CD LYS A 39 3.844 -12.589 -2.931 1.00 0.00 C ATOM 645 CE LYS A 39 4.494 -13.547 -3.942 1.00 0.00 C ATOM 646 NZ LYS A 39 3.637 -14.708 -4.256 1.00 0.00 N ATOM 0 H LYS A 39 3.912 -8.311 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 39 3.073 -10.980 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.362 -10.132 -2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.648 -10.074 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.737 -12.233 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.162 -12.532 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.524 -11.757 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.716 -13.112 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.715 -13.004 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.445 -13.899 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.225 -15.485 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.146 -15.020 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.936 -14.438 -4.975 1.00 0.00 H new ATOM 660 N VAL A 40 0.668 -9.929 -5.932 1.00 0.00 N ATOM 661 CA VAL A 40 -0.656 -9.463 -6.176 1.00 0.00 C ATOM 662 C VAL A 40 -1.787 -10.230 -5.494 1.00 0.00 C ATOM 663 O VAL A 40 -1.794 -11.457 -5.402 1.00 0.00 O ATOM 664 CB VAL A 40 -0.716 -8.927 -7.593 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.049 -9.617 -8.692 1.00 0.00 C ATOM 666 CG2 VAL A 40 -2.179 -9.023 -8.108 1.00 0.00 C ATOM 0 H VAL A 40 0.737 -10.925 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.931 -8.585 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.272 -7.942 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.114 -9.093 -9.634 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.113 -9.612 -8.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.297 -10.646 -8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.232 -8.640 -9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.502 -10.064 -8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.831 -8.433 -7.464 1.00 0.00 H new ATOM 676 N ILE A 41 -2.728 -9.452 -4.970 1.00 0.00 N ATOM 677 CA ILE A 41 -4.011 -9.840 -4.425 1.00 0.00 C ATOM 678 C ILE A 41 -5.010 -8.940 -5.161 1.00 0.00 C ATOM 679 O ILE A 41 -4.911 -7.717 -5.052 1.00 0.00 O ATOM 680 CB ILE A 41 -4.009 -9.597 -2.897 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.971 -10.485 -2.178 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.409 -9.881 -2.349 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.776 -10.172 -0.685 1.00 0.00 C ATOM 0 H ILE A 41 -2.593 -8.443 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.257 -10.893 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.733 -8.559 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.273 -11.527 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.012 -10.381 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.419 -9.713 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.129 -9.216 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.678 -10.917 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.029 -10.846 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.440 -9.142 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.721 -10.306 -0.159 1.00 0.00 H new ATOM 695 N PHE A 42 -5.914 -9.509 -5.956 1.00 0.00 N ATOM 696 CA PHE A 42 -6.933 -8.733 -6.653 1.00 0.00 C ATOM 697 C PHE A 42 -7.870 -8.066 -5.647 1.00 0.00 C ATOM 698 O PHE A 42 -8.127 -8.638 -4.579 1.00 0.00 O ATOM 699 CB PHE A 42 -7.719 -9.645 -7.595 1.00 0.00 C ATOM 700 CG PHE A 42 -6.878 -10.159 -8.739 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.522 -9.276 -9.775 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.401 -11.485 -8.743 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.695 -9.715 -10.816 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.574 -11.923 -9.790 1.00 0.00 C ATOM 705 CZ PHE A 42 -5.228 -11.039 -10.828 1.00 0.00 C ATOM 0 H PHE A 42 -5.960 -10.512 -6.133 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.449 -7.952 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.115 -10.490 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.574 -9.099 -7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.887 -8.259 -9.767 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.670 -12.161 -7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.417 -9.036 -11.609 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.204 -12.938 -9.798 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.600 -11.380 -11.638 1.00 0.00 H new ATOM 715 N ASN A 43 -8.404 -6.892 -6.004 1.00 0.00 N ATOM 716 CA ASN A 43 -9.445 -6.196 -5.255 1.00 0.00 C ATOM 717 C ASN A 43 -10.728 -7.005 -5.409 1.00 0.00 C ATOM 718 O ASN A 43 -11.511 -6.807 -6.341 1.00 0.00 O ATOM 719 CB ASN A 43 -9.647 -4.748 -5.734 1.00 0.00 C ATOM 720 CG ASN A 43 -10.899 -4.116 -5.112 1.00 0.00 C ATOM 721 OD1 ASN A 43 -11.329 -4.495 -4.019 1.00 0.00 O ATOM 722 ND2 ASN A 43 -11.504 -3.146 -5.776 1.00 0.00 N ATOM 0 H ASN A 43 -8.114 -6.391 -6.844 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.152 -6.121 -4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.771 -4.153 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.732 -4.732 -6.821 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.335 -2.702 -5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.139 -2.841 -6.679 1.00 0.00 H new ATOM 729 N ASP A 44 -10.887 -7.948 -4.492 1.00 0.00 N ATOM 730 CA ASP A 44 -12.031 -8.805 -4.277 1.00 0.00 C ATOM 731 C ASP A 44 -12.222 -8.838 -2.765 1.00 0.00 C ATOM 732 O ASP A 44 -11.315 -8.456 -2.012 1.00 0.00 O ATOM 733 CB ASP A 44 -11.755 -10.232 -4.794 1.00 0.00 C ATOM 734 CG ASP A 44 -12.375 -10.558 -6.150 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.518 -10.120 -6.409 1.00 0.00 O ATOM 736 OD2 ASP A 44 -11.741 -11.334 -6.908 1.00 0.00 O ATOM 0 H ASP A 44 -10.146 -8.146 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.910 -8.437 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.677 -10.376 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.127 -10.947 -4.060 1.00 0.00 H new ATOM 741 N GLU A 45 -13.363 -9.322 -2.287 1.00 0.00 N ATOM 742 CA GLU A 45 -13.602 -9.505 -0.861 1.00 0.00 C ATOM 743 C GLU A 45 -12.519 -10.409 -0.266 1.00 0.00 C ATOM 744 O GLU A 45 -11.931 -10.100 0.773 1.00 0.00 O ATOM 745 CB GLU A 45 -15.000 -10.102 -0.652 1.00 0.00 C ATOM 746 CG GLU A 45 -15.193 -10.508 0.811 1.00 0.00 C ATOM 747 CD GLU A 45 -16.614 -10.948 1.112 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.006 -12.045 0.635 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.248 -10.253 1.933 1.00 0.00 O ATOM 0 H GLU A 45 -14.148 -9.598 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.557 -8.543 -0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.760 -9.374 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.132 -10.970 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.506 -11.319 1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.933 -9.668 1.455 1.00 0.00 H new ATOM 756 N SER A 46 -12.229 -11.514 -0.955 1.00 0.00 N ATOM 757 CA SER A 46 -11.218 -12.470 -0.529 1.00 0.00 C ATOM 758 C SER A 46 -9.842 -11.800 -0.487 1.00 0.00 C ATOM 759 O SER A 46 -9.001 -12.177 0.321 1.00 0.00 O ATOM 760 CB SER A 46 -11.239 -13.673 -1.477 1.00 0.00 C ATOM 761 OG SER A 46 -11.097 -14.897 -0.781 1.00 0.00 O ATOM 0 H SER A 46 -12.693 -11.768 -1.827 1.00 0.00 H new ATOM 0 HA SER A 46 -11.435 -12.823 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.176 -13.679 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.435 -13.575 -2.206 1.00 0.00 H new ATOM 0 HG SER A 46 -11.117 -15.640 -1.419 1.00 0.00 H new ATOM 767 N GLY A 47 -9.628 -10.751 -1.286 1.00 0.00 N ATOM 768 CA GLY A 47 -8.389 -10.010 -1.276 1.00 0.00 C ATOM 769 C GLY A 47 -8.217 -9.219 0.014 1.00 0.00 C ATOM 770 O GLY A 47 -7.177 -9.311 0.661 1.00 0.00 O ATOM 0 H GLY A 47 -10.316 -10.401 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.552 -10.698 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.365 -9.329 -2.127 1.00 0.00 H new ATOM 774 N LYS A 48 -9.233 -8.453 0.422 1.00 0.00 N ATOM 775 CA LYS A 48 -9.161 -7.688 1.672 1.00 0.00 C ATOM 776 C LYS A 48 -9.147 -8.609 2.893 1.00 0.00 C ATOM 777 O LYS A 48 -8.662 -8.200 3.944 1.00 0.00 O ATOM 778 CB LYS A 48 -10.324 -6.688 1.754 1.00 0.00 C ATOM 779 CG LYS A 48 -10.208 -5.548 0.730 1.00 0.00 C ATOM 780 CD LYS A 48 -11.554 -4.861 0.461 1.00 0.00 C ATOM 781 CE LYS A 48 -11.984 -3.771 1.460 1.00 0.00 C ATOM 782 NZ LYS A 48 -12.607 -4.288 2.700 1.00 0.00 N ATOM 0 H LYS A 48 -10.109 -8.346 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.223 -7.132 1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.263 -7.218 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.362 -6.265 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.493 -4.810 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.812 -5.943 -0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.517 -4.416 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.329 -5.627 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.111 -3.176 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.688 -3.101 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.958 -3.492 3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.400 -4.915 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.901 -4.821 3.247 1.00 0.00 H new ATOM 796 N LYS A 49 -9.620 -9.852 2.782 1.00 0.00 N ATOM 797 CA LYS A 49 -9.291 -10.898 3.745 1.00 0.00 C ATOM 798 C LYS A 49 -7.793 -11.221 3.698 1.00 0.00 C ATOM 799 O LYS A 49 -7.140 -11.063 4.730 1.00 0.00 O ATOM 800 CB LYS A 49 -10.163 -12.130 3.495 1.00 0.00 C ATOM 801 CG LYS A 49 -11.588 -11.933 4.024 1.00 0.00 C ATOM 802 CD LYS A 49 -12.477 -13.102 3.590 1.00 0.00 C ATOM 803 CE LYS A 49 -13.886 -12.956 4.169 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.053 -13.643 5.470 1.00 0.00 N ATOM 0 H LYS A 49 -10.236 -10.157 2.029 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.506 -10.545 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.198 -12.340 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.713 -12.998 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.574 -11.861 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.997 -10.995 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.528 -13.142 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.038 -14.042 3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.114 -11.897 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.608 -13.357 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.026 -13.509 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.864 -14.659 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.386 -13.245 6.161 1.00 0.00 H new ATOM 818 N SER A 50 -7.246 -11.626 2.547 1.00 0.00 N ATOM 819 CA SER A 50 -5.845 -12.015 2.405 1.00 0.00 C ATOM 820 C SER A 50 -4.875 -10.942 2.915 1.00 0.00 C ATOM 821 O SER A 50 -3.873 -11.305 3.524 1.00 0.00 O ATOM 822 CB SER A 50 -5.534 -12.392 0.953 1.00 0.00 C ATOM 823 OG SER A 50 -6.333 -13.484 0.538 1.00 0.00 O ATOM 0 H SER A 50 -7.774 -11.693 1.677 1.00 0.00 H new ATOM 0 HA SER A 50 -5.695 -12.891 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.714 -11.536 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.479 -12.649 0.857 1.00 0.00 H new ATOM 0 HG SER A 50 -7.257 -13.184 0.412 1.00 0.00 H new ATOM 829 N ILE A 51 -5.195 -9.646 2.779 1.00 0.00 N ATOM 830 CA ILE A 51 -4.432 -8.532 3.364 1.00 0.00 C ATOM 831 C ILE A 51 -4.060 -8.811 4.820 1.00 0.00 C ATOM 832 O ILE A 51 -2.907 -8.614 5.222 1.00 0.00 O ATOM 833 CB ILE A 51 -5.230 -7.204 3.218 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.093 -6.751 1.757 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.758 -6.110 4.198 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.820 -5.492 1.290 1.00 0.00 C ATOM 0 H ILE A 51 -6.009 -9.336 2.248 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.495 -8.430 2.816 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.275 -7.378 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.031 -6.608 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.428 -7.575 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.351 -5.208 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.882 -6.461 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.707 -5.887 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.612 -5.322 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.893 -5.618 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.475 -4.636 1.870 1.00 0.00 H new ATOM 848 N VAL A 52 -5.018 -9.270 5.602 1.00 0.00 N ATOM 849 CA VAL A 52 -4.866 -9.429 7.033 1.00 0.00 C ATOM 850 C VAL A 52 -3.832 -10.515 7.337 1.00 0.00 C ATOM 851 O VAL A 52 -3.117 -10.402 8.335 1.00 0.00 O ATOM 852 CB VAL A 52 -6.241 -9.723 7.653 1.00 0.00 C ATOM 853 CG1 VAL A 52 -6.160 -9.669 9.178 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.300 -8.713 7.190 1.00 0.00 C ATOM 0 H VAL A 52 -5.936 -9.547 5.255 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.490 -8.510 7.482 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.532 -10.720 7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.142 -9.879 9.602 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.445 -10.413 9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.835 -8.677 9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.258 -8.954 7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.998 -7.708 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.396 -8.758 6.105 1.00 0.00 H new ATOM 864 N LYS A 53 -3.738 -11.555 6.498 1.00 0.00 N ATOM 865 CA LYS A 53 -2.715 -12.580 6.651 1.00 0.00 C ATOM 866 C LYS A 53 -1.402 -12.150 6.006 1.00 0.00 C ATOM 867 O LYS A 53 -0.339 -12.598 6.441 1.00 0.00 O ATOM 868 CB LYS A 53 -3.177 -13.925 6.055 1.00 0.00 C ATOM 869 CG LYS A 53 -3.801 -14.832 7.122 1.00 0.00 C ATOM 870 CD LYS A 53 -5.269 -14.513 7.462 1.00 0.00 C ATOM 871 CE LYS A 53 -5.585 -14.611 8.963 1.00 0.00 C ATOM 872 NZ LYS A 53 -5.052 -15.837 9.593 1.00 0.00 N ATOM 0 H LYS A 53 -4.364 -11.703 5.706 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.550 -12.713 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.903 -13.742 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.327 -14.432 5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.738 -15.866 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.207 -14.759 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.504 -13.507 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.917 -15.199 6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.172 -13.740 9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.666 -14.579 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.538 -16.002 10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.210 -16.648 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.032 -15.724 9.764 1.00 0.00 H new ATOM 886 N GLU A 54 -1.431 -11.293 4.989 1.00 0.00 N ATOM 887 CA GLU A 54 -0.263 -10.984 4.189 1.00 0.00 C ATOM 888 C GLU A 54 0.825 -10.276 5.004 1.00 0.00 C ATOM 889 O GLU A 54 1.997 -10.359 4.638 1.00 0.00 O ATOM 890 CB GLU A 54 -0.693 -10.148 2.979 1.00 0.00 C ATOM 891 CG GLU A 54 0.358 -10.072 1.874 1.00 0.00 C ATOM 892 CD GLU A 54 0.592 -11.414 1.162 1.00 0.00 C ATOM 893 OE1 GLU A 54 1.181 -12.345 1.768 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.169 -11.554 -0.003 1.00 0.00 O ATOM 0 H GLU A 54 -2.272 -10.794 4.700 1.00 0.00 H new ATOM 0 HA GLU A 54 0.180 -11.918 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.610 -10.569 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.928 -9.138 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.049 -9.328 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.299 -9.727 2.301 1.00 0.00 H new ATOM 901 N ASN A 55 0.477 -9.668 6.144 1.00 0.00 N ATOM 902 CA ASN A 55 1.410 -9.020 7.072 1.00 0.00 C ATOM 903 C ASN A 55 1.943 -7.713 6.475 1.00 0.00 C ATOM 904 O ASN A 55 3.104 -7.353 6.684 1.00 0.00 O ATOM 905 CB ASN A 55 2.529 -9.988 7.527 1.00 0.00 C ATOM 906 CG ASN A 55 2.833 -9.845 9.011 1.00 0.00 C ATOM 907 OD1 ASN A 55 2.142 -10.471 9.811 1.00 0.00 O ATOM 908 ND2 ASN A 55 3.842 -9.088 9.405 1.00 0.00 N ATOM 0 H ASN A 55 -0.493 -9.612 6.456 1.00 0.00 H new ATOM 0 HA ASN A 55 0.868 -8.753 7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.230 -11.014 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.434 -9.794 6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.065 -9.012 10.397 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.398 -8.580 8.717 1.00 0.00 H new ATOM 915 N VAL A 56 1.120 -7.014 5.681 1.00 0.00 N ATOM 916 CA VAL A 56 1.450 -5.679 5.187 1.00 0.00 C ATOM 917 C VAL A 56 1.745 -4.785 6.399 1.00 0.00 C ATOM 918 O VAL A 56 1.146 -4.967 7.464 1.00 0.00 O ATOM 919 CB VAL A 56 0.300 -5.075 4.349 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.860 -4.048 3.369 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.506 -6.078 3.508 1.00 0.00 C ATOM 0 H VAL A 56 0.213 -7.360 5.367 1.00 0.00 H new ATOM 0 HA VAL A 56 2.319 -5.746 4.532 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.374 -4.650 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.046 -3.625 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.360 -3.252 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.575 -4.532 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.286 -5.549 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.158 -6.577 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.962 -6.819 4.164 1.00 0.00 H new ATOM 931 N ASN A 57 2.672 -3.844 6.241 1.00 0.00 N ATOM 932 CA ASN A 57 2.956 -2.788 7.202 1.00 0.00 C ATOM 933 C ASN A 57 1.993 -1.626 6.987 1.00 0.00 C ATOM 934 O ASN A 57 1.360 -1.134 7.921 1.00 0.00 O ATOM 935 CB ASN A 57 4.400 -2.317 6.983 1.00 0.00 C ATOM 936 CG ASN A 57 4.937 -1.557 8.181 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.416 -0.526 8.584 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.003 -2.074 8.764 1.00 0.00 N ATOM 0 H ASN A 57 3.265 -3.796 5.412 1.00 0.00 H new ATOM 0 HA ASN A 57 2.833 -3.159 8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.037 -3.179 6.785 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.444 -1.680 6.100 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.415 -1.612 9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.414 -2.935 8.404 1.00 0.00 H new ATOM 945 N ALA A 58 1.868 -1.206 5.727 1.00 0.00 N ATOM 946 CA ALA A 58 1.241 0.044 5.340 1.00 0.00 C ATOM 947 C ALA A 58 0.724 -0.051 3.902 1.00 0.00 C ATOM 948 O ALA A 58 1.133 -0.944 3.156 1.00 0.00 O ATOM 949 CB ALA A 58 2.274 1.163 5.476 1.00 0.00 C ATOM 0 H ALA A 58 2.211 -1.745 4.932 1.00 0.00 H new ATOM 0 HA ALA A 58 0.389 0.256 5.986 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.822 2.112 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.614 1.221 6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.124 0.955 4.826 1.00 0.00 H new ATOM 955 N ILE A 59 -0.164 0.855 3.494 1.00 0.00 N ATOM 956 CA ILE A 59 -0.721 0.894 2.149 1.00 0.00 C ATOM 957 C ILE A 59 -0.294 2.225 1.502 1.00 0.00 C ATOM 958 O ILE A 59 -0.152 3.239 2.203 1.00 0.00 O ATOM 959 CB ILE A 59 -2.257 0.755 2.237 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.705 -0.516 3.000 1.00 0.00 C ATOM 961 CG2 ILE A 59 -2.862 0.702 0.820 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.033 -0.352 3.752 1.00 0.00 C ATOM 0 H ILE A 59 -0.520 1.593 4.101 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.353 0.073 1.533 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.613 1.626 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.799 -1.339 2.292 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.927 -0.794 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.945 0.604 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.615 1.618 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.454 -0.154 0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.280 -1.283 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.939 0.449 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.824 -0.105 3.044 1.00 0.00 H new ATOM 974 N ILE A 60 -0.137 2.248 0.175 1.00 0.00 N ATOM 975 CA ILE A 60 0.053 3.446 -0.639 1.00 0.00 C ATOM 976 C ILE A 60 -1.113 3.477 -1.635 1.00 0.00 C ATOM 977 O ILE A 60 -1.381 2.457 -2.278 1.00 0.00 O ATOM 978 CB ILE A 60 1.440 3.419 -1.342 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.559 3.338 -0.290 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.729 4.620 -2.262 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.988 3.372 -0.846 1.00 0.00 C ATOM 0 H ILE A 60 -0.139 1.394 -0.382 1.00 0.00 H new ATOM 0 HA ILE A 60 0.051 4.353 -0.035 1.00 0.00 H new ATOM 0 HB ILE A 60 1.412 2.536 -1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.439 4.167 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.431 2.419 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.719 4.509 -2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.980 4.661 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.693 5.541 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.700 3.309 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.137 2.528 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.144 4.303 -1.391 1.00 0.00 H new ATOM 993 N CYS A 61 -1.789 4.622 -1.788 1.00 0.00 N ATOM 994 CA CYS A 61 -2.762 4.953 -2.825 1.00 0.00 C ATOM 995 C CYS A 61 -2.962 6.471 -2.836 1.00 0.00 C ATOM 996 O CYS A 61 -2.688 7.167 -1.853 1.00 0.00 O ATOM 997 CB CYS A 61 -4.102 4.219 -2.609 1.00 0.00 C ATOM 998 SG CYS A 61 -5.146 4.295 -4.097 1.00 0.00 S ATOM 0 H CYS A 61 -1.657 5.397 -1.138 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.381 4.622 -3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.911 3.178 -2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.632 4.665 -1.767 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.893 3.233 -4.158 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.506 6.977 -3.942 1.00 0.00 N ATOM 1005 CA LYS A 62 -3.965 8.355 -4.028 1.00 0.00 C ATOM 1006 C LYS A 62 -5.106 8.625 -3.059 1.00 0.00 C ATOM 1007 O LYS A 62 -5.134 9.703 -2.489 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.424 8.673 -5.458 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.244 8.939 -6.395 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.760 9.316 -7.787 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.596 9.820 -8.638 1.00 0.00 C ATOM 1012 NZ LYS A 62 -3.062 10.396 -9.911 1.00 0.00 N ATOM 0 H LYS A 62 -3.639 6.441 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.127 8.998 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.012 7.840 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.078 9.545 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.626 9.743 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.612 8.053 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.225 8.452 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.527 10.086 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.037 10.572 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.910 8.997 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.533 9.970 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.077 10.201 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.906 11.424 -9.905 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.047 7.702 -2.863 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.261 7.996 -2.105 1.00 0.00 C ATOM 1028 C ASN A 63 -7.742 6.731 -1.415 1.00 0.00 C ATOM 1029 O ASN A 63 -7.244 5.634 -1.693 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.318 8.602 -3.049 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.049 10.091 -3.263 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -7.983 10.874 -2.322 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.764 10.487 -4.490 1.00 0.00 N ATOM 0 H ASN A 63 -5.992 6.747 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.064 8.733 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.301 8.081 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.314 8.463 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.486 11.453 -4.662 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.822 9.827 -5.265 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.688 6.894 -0.494 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.265 5.847 0.334 1.00 0.00 C ATOM 1042 C ILE A 64 -10.575 6.377 0.908 1.00 0.00 C ATOM 1043 O ILE A 64 -10.658 7.541 1.279 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.241 5.434 1.422 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.795 4.299 2.306 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.751 6.627 2.267 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.810 3.853 3.387 1.00 0.00 C ATOM 0 H ILE A 64 -9.092 7.810 -0.297 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.488 4.946 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.364 5.054 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.719 4.631 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.048 3.445 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.036 6.276 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.269 7.359 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.600 7.090 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.256 3.052 3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.894 3.492 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.577 4.696 4.037 1.00 0.00 H new ATOM 1059 N SER A 65 -11.616 5.556 0.934 1.00 0.00 N ATOM 1060 CA SER A 65 -12.894 5.933 1.502 1.00 0.00 C ATOM 1061 C SER A 65 -12.834 5.899 3.037 1.00 0.00 C ATOM 1062 O SER A 65 -12.090 5.085 3.592 1.00 0.00 O ATOM 1063 CB SER A 65 -13.934 4.978 0.911 1.00 0.00 C ATOM 1064 OG SER A 65 -13.462 3.644 0.777 1.00 0.00 O ATOM 0 H SER A 65 -11.593 4.608 0.559 1.00 0.00 H new ATOM 0 HA SER A 65 -13.168 6.958 1.252 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.821 4.980 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.241 5.347 -0.068 1.00 0.00 H new ATOM 0 HG SER A 65 -14.202 3.061 0.509 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.654 6.717 3.713 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.737 6.787 5.173 1.00 0.00 C ATOM 1072 C GLU A 66 -13.871 5.400 5.791 1.00 0.00 C ATOM 1073 O GLU A 66 -13.216 5.097 6.791 1.00 0.00 O ATOM 1074 CB GLU A 66 -14.932 7.646 5.640 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.935 7.695 7.177 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.967 8.625 7.789 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -17.183 8.304 7.745 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -15.558 9.609 8.431 1.00 0.00 O ATOM 0 H GLU A 66 -14.291 7.362 3.246 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.808 7.250 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.856 8.653 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.867 7.223 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.106 6.688 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.946 8.001 7.517 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.755 4.579 5.214 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.008 3.226 5.662 1.00 0.00 C ATOM 1087 C GLU A 67 -13.681 2.480 5.748 1.00 0.00 C ATOM 1088 O GLU A 67 -13.248 2.130 6.850 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.050 2.572 4.746 1.00 0.00 C ATOM 1090 CG GLU A 67 -16.836 1.454 5.446 1.00 0.00 C ATOM 1091 CD GLU A 67 -16.184 0.062 5.463 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -14.945 -0.091 5.519 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -16.912 -0.941 5.630 1.00 0.00 O ATOM 0 H GLU A 67 -15.319 4.851 4.409 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.439 3.204 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.746 3.333 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.550 2.164 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.017 1.758 6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.810 1.368 4.964 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.003 2.328 4.609 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.754 1.594 4.499 1.00 0.00 C ATOM 1102 C ASN A 68 -10.660 2.194 5.383 1.00 0.00 C ATOM 1103 O ASN A 68 -9.946 1.428 6.035 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.302 1.507 3.031 1.00 0.00 C ATOM 1105 CG ASN A 68 -11.900 0.295 2.319 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -11.827 -0.830 2.820 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.464 0.470 1.136 1.00 0.00 N ATOM 0 H ASN A 68 -13.318 2.722 3.723 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.934 0.582 4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.595 2.417 2.507 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.214 1.452 2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.844 -0.329 0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.519 1.404 0.731 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.538 3.526 5.448 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.579 4.201 6.321 1.00 0.00 C ATOM 1116 C TYR A 69 -9.807 3.752 7.761 1.00 0.00 C ATOM 1117 O TYR A 69 -8.953 3.088 8.354 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.630 5.729 6.158 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.465 6.390 6.878 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -8.461 6.459 8.282 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.344 6.858 6.161 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.310 6.877 8.965 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.209 7.350 6.842 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.165 7.289 8.252 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.009 7.573 8.917 1.00 0.00 O ATOM 0 H TYR A 69 -11.106 4.166 4.892 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.568 3.914 6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.602 5.987 5.099 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.571 6.110 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.348 6.189 8.837 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.354 6.840 5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.300 6.884 10.045 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.382 7.769 6.289 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.319 7.840 8.274 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.970 4.082 8.329 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.287 3.782 9.723 1.00 0.00 C ATOM 1137 C LYS A 70 -11.255 2.280 9.997 1.00 0.00 C ATOM 1138 O LYS A 70 -10.977 1.891 11.133 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.656 4.372 10.098 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.617 5.894 10.294 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.997 6.462 10.660 1.00 0.00 C ATOM 1142 CE LYS A 70 -13.920 7.964 10.937 1.00 0.00 C ATOM 1143 NZ LYS A 70 -13.247 8.267 12.226 1.00 0.00 N ATOM 0 H LYS A 70 -11.718 4.566 7.832 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.521 4.245 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.377 4.130 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.010 3.902 11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.903 6.140 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.260 6.368 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.698 6.275 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.384 5.947 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.382 8.454 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.927 8.381 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.309 9.287 12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.713 7.741 12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.247 7.985 12.170 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.524 1.420 9.009 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.437 -0.021 9.163 1.00 0.00 C ATOM 1159 C LYS A 71 -9.985 -0.447 9.355 1.00 0.00 C ATOM 1160 O LYS A 71 -9.689 -1.130 10.338 1.00 0.00 O ATOM 1161 CB LYS A 71 -12.091 -0.691 7.947 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.399 -2.176 8.174 1.00 0.00 C ATOM 1163 CD LYS A 71 -13.849 -2.531 7.818 1.00 0.00 C ATOM 1164 CE LYS A 71 -14.910 -1.983 8.792 1.00 0.00 C ATOM 1165 NZ LYS A 71 -15.565 -0.759 8.283 1.00 0.00 N ATOM 0 H LYS A 71 -11.810 1.715 8.075 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.975 -0.341 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.015 -0.167 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.431 -0.590 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.721 -2.781 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.211 -2.428 9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.065 -2.153 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.942 -3.616 7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.665 -2.748 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.441 -1.768 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.609 -0.048 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.019 -0.380 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.529 -0.987 7.966 1.00 0.00 H new ATOM 1179 N PHE A 72 -9.087 -0.085 8.435 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.719 -0.600 8.439 1.00 0.00 C ATOM 1181 C PHE A 72 -6.810 0.153 9.414 1.00 0.00 C ATOM 1182 O PHE A 72 -5.819 -0.427 9.880 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.146 -0.616 7.012 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.609 -1.826 6.220 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -7.027 -3.084 6.473 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.650 -1.725 5.277 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.477 -4.228 5.791 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.093 -2.866 4.586 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.507 -4.119 4.841 1.00 0.00 C ATOM 0 H PHE A 72 -9.286 0.566 7.675 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.757 -1.627 8.801 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.447 0.293 6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.057 -0.610 7.060 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.229 -3.170 7.196 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.110 -0.767 5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.031 -5.190 5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.885 -2.780 3.857 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.848 -4.995 4.308 1.00 0.00 H new ATOM 1199 N SER A 73 -7.152 1.394 9.787 1.00 0.00 N ATOM 1200 CA SER A 73 -6.424 2.192 10.765 1.00 0.00 C ATOM 1201 C SER A 73 -6.651 1.647 12.186 1.00 0.00 C ATOM 1202 O SER A 73 -7.334 2.235 13.032 1.00 0.00 O ATOM 1203 CB SER A 73 -6.744 3.686 10.585 1.00 0.00 C ATOM 1204 OG SER A 73 -5.760 4.476 11.224 1.00 0.00 O ATOM 0 H SER A 73 -7.964 1.877 9.403 1.00 0.00 H new ATOM 0 HA SER A 73 -5.351 2.105 10.595 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.785 3.931 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.726 3.908 11.002 1.00 0.00 H new ATOM 0 HG SER A 73 -5.972 5.425 11.102 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.080 0.468 12.426 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.023 -0.285 13.668 1.00 0.00 C ATOM 1212 C LYS A 74 -4.716 -1.077 13.748 1.00 0.00 C ATOM 1213 O LYS A 74 -4.233 -1.295 14.854 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.228 -1.242 13.742 1.00 0.00 C ATOM 1215 CG LYS A 74 -8.000 -1.086 15.058 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.381 -1.796 16.270 1.00 0.00 C ATOM 1217 CE LYS A 74 -7.579 -3.312 16.181 1.00 0.00 C ATOM 1218 NZ LYS A 74 -7.244 -4.002 17.446 1.00 0.00 N ATOM 0 H LYS A 74 -5.599 -0.030 11.677 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.059 0.407 14.509 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.897 -1.049 12.903 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.882 -2.271 13.644 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.087 -0.024 15.285 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.012 -1.465 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.317 -1.568 16.325 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.835 -1.420 17.187 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.615 -3.525 15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.958 -3.710 15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.395 -5.025 17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.248 -3.823 17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.854 -3.644 18.209 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.171 -1.544 12.614 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.870 -2.216 12.548 1.00 0.00 C ATOM 1234 C LYS A 75 -2.100 -1.930 11.258 1.00 0.00 C ATOM 1235 O LYS A 75 -0.966 -2.378 11.145 1.00 0.00 O ATOM 1236 CB LYS A 75 -3.024 -3.741 12.737 1.00 0.00 C ATOM 1237 CG LYS A 75 -2.848 -4.206 14.197 1.00 0.00 C ATOM 1238 CD LYS A 75 -4.168 -4.540 14.914 1.00 0.00 C ATOM 1239 CE LYS A 75 -4.446 -6.052 14.944 1.00 0.00 C ATOM 1240 NZ LYS A 75 -3.553 -6.756 15.887 1.00 0.00 N ATOM 0 H LYS A 75 -4.630 -1.463 11.707 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.283 -1.801 13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.010 -4.044 12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.292 -4.251 12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.206 -5.087 14.211 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.331 -3.426 14.756 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.132 -4.159 15.934 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.991 -4.031 14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.484 -6.225 15.228 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.317 -6.465 13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.888 -7.732 16.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.586 -6.771 15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.555 -6.262 16.802 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.671 -1.240 10.272 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.995 -0.915 9.019 1.00 0.00 C ATOM 1256 C ILE A 76 -2.034 0.610 8.890 1.00 0.00 C ATOM 1257 O ILE A 76 -3.061 1.234 9.192 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.650 -1.667 7.833 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.779 -3.188 8.108 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.852 -1.427 6.543 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.287 -4.012 6.915 1.00 0.00 C ATOM 0 H ILE A 76 -3.627 -0.887 10.322 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.956 -1.244 9.009 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.658 -1.269 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.805 -3.573 8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.456 -3.336 8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.324 -1.961 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.833 -0.360 6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.832 -1.789 6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.346 -5.063 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.276 -3.659 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.600 -3.900 6.076 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.921 1.221 8.485 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.855 2.652 8.203 1.00 0.00 C ATOM 1275 C GLU A 77 -1.195 2.937 6.745 1.00 0.00 C ATOM 1276 O GLU A 77 -1.017 2.089 5.873 1.00 0.00 O ATOM 1277 CB GLU A 77 0.540 3.196 8.508 1.00 0.00 C ATOM 1278 CG GLU A 77 0.836 3.203 10.003 1.00 0.00 C ATOM 1279 CD GLU A 77 2.062 4.061 10.313 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.156 3.755 9.791 1.00 0.00 O ATOM 1281 OE2 GLU A 77 1.879 5.090 11.008 1.00 0.00 O ATOM 0 H GLU A 77 -0.036 0.734 8.343 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.586 3.147 8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.286 2.590 7.994 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.628 4.209 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.028 3.586 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.004 2.183 10.349 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.659 4.150 6.469 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.138 4.571 5.171 1.00 0.00 C ATOM 1290 C ILE A 78 -1.423 5.867 4.782 1.00 0.00 C ATOM 1291 O ILE A 78 -1.556 6.878 5.471 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.664 4.728 5.291 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.360 3.399 5.684 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.217 5.208 3.954 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.347 3.536 6.842 1.00 0.00 C ATOM 0 H ILE A 78 -1.711 4.888 7.171 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.926 3.851 4.381 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.867 5.452 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.887 3.005 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.598 2.667 5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.298 5.323 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.767 6.167 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.982 4.478 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.792 2.565 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.823 3.899 7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.131 4.242 6.570 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.664 5.838 3.682 1.00 0.00 N ATOM 1308 CA TYR A 79 0.152 6.960 3.217 1.00 0.00 C ATOM 1309 C TYR A 79 -0.491 7.613 1.996 1.00 0.00 C ATOM 1310 O TYR A 79 -1.349 6.985 1.362 1.00 0.00 O ATOM 1311 CB TYR A 79 1.588 6.475 2.974 1.00 0.00 C ATOM 1312 CG TYR A 79 2.308 6.156 4.282 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.073 4.954 4.985 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.156 7.126 4.852 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.725 4.717 6.211 1.00 0.00 C ATOM 1316 CE2 TYR A 79 3.784 6.904 6.090 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.571 5.693 6.781 1.00 0.00 C ATOM 1318 OH TYR A 79 4.143 5.497 8.004 1.00 0.00 O ATOM 0 H TYR A 79 -0.600 5.017 3.080 1.00 0.00 H new ATOM 0 HA TYR A 79 0.204 7.739 3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.570 5.586 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.143 7.240 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.394 4.217 4.583 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.326 8.056 4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.576 3.777 6.721 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.429 7.660 6.512 1.00 0.00 H new ATOM 0 HH TYR A 79 3.791 4.673 8.402 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.076 8.832 1.619 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.529 9.501 0.388 1.00 0.00 C ATOM 1330 C HIS A 80 0.510 9.316 -0.722 1.00 0.00 C ATOM 1331 O HIS A 80 1.699 9.147 -0.447 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.810 11.000 0.615 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.780 11.608 -0.391 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.742 12.888 -0.913 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.864 10.991 -0.964 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.787 13.031 -1.753 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.492 11.900 -1.817 1.00 0.00 N ATOM 0 H HIS A 80 0.587 9.385 2.162 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.468 9.037 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.212 11.136 1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.132 11.546 0.572 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.178 9.973 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.021 13.934 -2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.326 11.732 -2.379 1.00 0.00 H new ATOM 1345 N ALA A 81 0.044 9.204 -1.966 1.00 0.00 N ATOM 1346 CA ALA A 81 0.867 8.949 -3.135 1.00 0.00 C ATOM 1347 C ALA A 81 1.327 10.252 -3.780 1.00 0.00 C ATOM 1348 O ALA A 81 0.506 10.988 -4.323 1.00 0.00 O ATOM 1349 CB ALA A 81 0.050 8.112 -4.131 1.00 0.00 C ATOM 0 H ALA A 81 -0.948 9.292 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 81 1.762 8.404 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.652 7.910 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.237 7.169 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.846 8.662 -4.419 1.00 0.00 H new ATOM 1355 N GLU A 82 2.636 10.502 -3.816 1.00 0.00 N ATOM 1356 CA GLU A 82 3.233 11.678 -4.444 1.00 0.00 C ATOM 1357 C GLU A 82 3.196 11.657 -5.962 1.00 0.00 C ATOM 1358 O GLU A 82 3.493 12.669 -6.604 1.00 0.00 O ATOM 1359 CB GLU A 82 4.687 11.864 -3.976 1.00 0.00 C ATOM 1360 CG GLU A 82 4.795 12.684 -2.679 1.00 0.00 C ATOM 1361 CD GLU A 82 6.075 13.552 -2.588 1.00 0.00 C ATOM 1362 OE1 GLU A 82 6.818 13.671 -3.588 1.00 0.00 O ATOM 1363 OE2 GLU A 82 6.258 14.201 -1.524 1.00 0.00 O ATOM 0 H GLU A 82 3.326 9.877 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 82 2.617 12.518 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.142 10.886 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.257 12.359 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.922 13.332 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.768 12.004 -1.828 1.00 0.00 H new ATOM 1370 N GLY A 83 2.827 10.526 -6.543 1.00 0.00 N ATOM 1371 CA GLY A 83 2.956 10.340 -7.961 1.00 0.00 C ATOM 1372 C GLY A 83 1.996 9.280 -8.464 1.00 0.00 C ATOM 1373 O GLY A 83 1.324 8.636 -7.661 1.00 0.00 O ATOM 0 H GLY A 83 2.436 9.727 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.762 11.282 -8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.979 10.051 -8.201 1.00 0.00 H new ATOM 1377 N ASP A 84 1.945 9.119 -9.783 1.00 0.00 N ATOM 1378 CA ASP A 84 1.457 7.897 -10.428 1.00 0.00 C ATOM 1379 C ASP A 84 2.629 6.918 -10.599 1.00 0.00 C ATOM 1380 O ASP A 84 2.418 5.731 -10.831 1.00 0.00 O ATOM 1381 CB ASP A 84 0.885 8.208 -11.823 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.177 9.305 -11.833 1.00 0.00 C ATOM 1383 OD1 ASP A 84 0.190 10.499 -11.908 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.394 9.022 -11.889 1.00 0.00 O ATOM 0 H ASP A 84 2.243 9.837 -10.443 1.00 0.00 H new ATOM 0 HA ASP A 84 0.674 7.466 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.702 8.503 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.454 7.297 -12.238 1.00 0.00 H new ATOM 1389 N ASP A 85 3.864 7.435 -10.517 1.00 0.00 N ATOM 1390 CA ASP A 85 5.140 6.728 -10.578 1.00 0.00 C ATOM 1391 C ASP A 85 5.256 5.892 -9.307 1.00 0.00 C ATOM 1392 O ASP A 85 5.620 6.404 -8.238 1.00 0.00 O ATOM 1393 CB ASP A 85 6.302 7.743 -10.650 1.00 0.00 C ATOM 1394 CG ASP A 85 7.329 7.534 -11.757 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.798 6.404 -12.003 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.812 8.579 -12.248 1.00 0.00 O ATOM 0 H ASP A 85 4.001 8.439 -10.397 1.00 0.00 H new ATOM 0 HA ASP A 85 5.189 6.094 -11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.876 8.740 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.825 7.729 -9.694 1.00 0.00 H new ATOM 1401 N VAL A 86 4.933 4.608 -9.413 1.00 0.00 N ATOM 1402 CA VAL A 86 5.143 3.628 -8.358 1.00 0.00 C ATOM 1403 C VAL A 86 6.571 3.760 -7.821 1.00 0.00 C ATOM 1404 O VAL A 86 6.780 3.732 -6.613 1.00 0.00 O ATOM 1405 CB VAL A 86 4.854 2.220 -8.918 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.321 1.096 -7.982 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.361 2.038 -9.209 1.00 0.00 C ATOM 0 H VAL A 86 4.509 4.213 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 86 4.463 3.801 -7.524 1.00 0.00 H new ATOM 0 HB VAL A 86 5.425 2.147 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.090 0.130 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.397 1.176 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.808 1.183 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.186 1.037 -9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.792 2.170 -8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.041 2.777 -9.943 1.00 0.00 H new ATOM 1417 N ASP A 87 7.558 3.954 -8.690 1.00 0.00 N ATOM 1418 CA ASP A 87 8.962 3.872 -8.320 1.00 0.00 C ATOM 1419 C ASP A 87 9.339 5.034 -7.415 1.00 0.00 C ATOM 1420 O ASP A 87 9.996 4.833 -6.391 1.00 0.00 O ATOM 1421 CB ASP A 87 9.839 3.811 -9.575 1.00 0.00 C ATOM 1422 CG ASP A 87 9.920 2.375 -10.084 1.00 0.00 C ATOM 1423 OD1 ASP A 87 10.595 1.566 -9.419 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.317 2.067 -11.150 1.00 0.00 O ATOM 0 H ASP A 87 7.403 4.173 -9.674 1.00 0.00 H new ATOM 0 HA ASP A 87 9.133 2.954 -7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.426 4.458 -10.349 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.838 4.183 -9.349 1.00 0.00 H new ATOM 1429 N LYS A 88 8.887 6.252 -7.743 1.00 0.00 N ATOM 1430 CA LYS A 88 9.108 7.412 -6.881 1.00 0.00 C ATOM 1431 C LYS A 88 8.413 7.218 -5.534 1.00 0.00 C ATOM 1432 O LYS A 88 8.917 7.655 -4.502 1.00 0.00 O ATOM 1433 CB LYS A 88 8.617 8.660 -7.628 1.00 0.00 C ATOM 1434 CG LYS A 88 8.573 9.981 -6.845 1.00 0.00 C ATOM 1435 CD LYS A 88 9.873 10.385 -6.136 1.00 0.00 C ATOM 1436 CE LYS A 88 10.576 11.609 -6.740 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.542 11.285 -7.814 1.00 0.00 N ATOM 0 H LYS A 88 8.368 6.455 -8.597 1.00 0.00 H new ATOM 0 HA LYS A 88 10.168 7.535 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.257 8.805 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.613 8.456 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.294 10.779 -7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.781 9.912 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.652 10.590 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.561 9.540 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.822 12.288 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.098 12.143 -5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.973 12.162 -8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.285 10.662 -7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.048 10.803 -8.592 1.00 0.00 H new ATOM 1451 N ASN A 89 7.242 6.583 -5.539 1.00 0.00 N ATOM 1452 CA ASN A 89 6.434 6.413 -4.340 1.00 0.00 C ATOM 1453 C ASN A 89 7.089 5.425 -3.384 1.00 0.00 C ATOM 1454 O ASN A 89 7.031 5.617 -2.170 1.00 0.00 O ATOM 1455 CB ASN A 89 5.029 5.910 -4.727 1.00 0.00 C ATOM 1456 CG ASN A 89 4.097 7.020 -5.192 1.00 0.00 C ATOM 1457 OD1 ASN A 89 2.983 7.130 -4.698 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.534 7.884 -6.091 1.00 0.00 N ATOM 0 H ASN A 89 6.829 6.173 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 89 6.351 7.377 -3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.122 5.168 -5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.583 5.406 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.940 8.659 -6.384 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.466 7.776 -6.492 1.00 0.00 H new ATOM 1465 N ILE A 90 7.696 4.360 -3.908 1.00 0.00 N ATOM 1466 CA ILE A 90 8.378 3.366 -3.098 1.00 0.00 C ATOM 1467 C ILE A 90 9.591 4.040 -2.446 1.00 0.00 C ATOM 1468 O ILE A 90 9.736 3.941 -1.226 1.00 0.00 O ATOM 1469 CB ILE A 90 8.728 2.098 -3.918 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.482 1.369 -4.485 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.497 1.116 -3.015 1.00 0.00 C ATOM 1472 CD1 ILE A 90 7.817 0.401 -5.627 1.00 0.00 C ATOM 0 H ILE A 90 7.725 4.167 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 90 7.723 3.000 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 90 9.328 2.426 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.994 0.818 -3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.767 2.110 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.748 0.220 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.413 1.589 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.875 0.843 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.903 -0.077 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.278 0.951 -6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.509 -0.361 -5.267 1.00 0.00 H new ATOM 1484 N SER A 91 10.430 4.739 -3.221 1.00 0.00 N ATOM 1485 CA SER A 91 11.664 5.322 -2.708 1.00 0.00 C ATOM 1486 C SER A 91 11.395 6.334 -1.589 1.00 0.00 C ATOM 1487 O SER A 91 12.144 6.386 -0.609 1.00 0.00 O ATOM 1488 CB SER A 91 12.493 5.885 -3.874 1.00 0.00 C ATOM 1489 OG SER A 91 11.744 6.755 -4.707 1.00 0.00 O ATOM 0 H SER A 91 10.269 4.912 -4.213 1.00 0.00 H new ATOM 0 HA SER A 91 12.264 4.544 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.355 6.421 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.880 5.060 -4.472 1.00 0.00 H new ATOM 0 HG SER A 91 10.871 6.929 -4.297 1.00 0.00 H new ATOM 1495 N LEU A 92 10.304 7.104 -1.692 1.00 0.00 N ATOM 1496 CA LEU A 92 9.930 8.065 -0.654 1.00 0.00 C ATOM 1497 C LEU A 92 9.505 7.342 0.628 1.00 0.00 C ATOM 1498 O LEU A 92 9.905 7.718 1.732 1.00 0.00 O ATOM 1499 CB LEU A 92 8.779 8.940 -1.164 1.00 0.00 C ATOM 1500 CG LEU A 92 9.176 10.009 -2.199 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.894 10.543 -2.844 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.960 11.171 -1.577 1.00 0.00 C ATOM 0 H LEU A 92 9.665 7.078 -2.487 1.00 0.00 H new ATOM 0 HA LEU A 92 10.794 8.689 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.021 8.294 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.316 9.437 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 92 9.832 9.546 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.148 11.303 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.364 9.725 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.256 10.981 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.214 11.895 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.350 11.655 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.875 10.791 -1.122 1.00 0.00 H new ATOM 1514 N PHE A 93 8.684 6.300 0.490 1.00 0.00 N ATOM 1515 CA PHE A 93 8.116 5.548 1.601 1.00 0.00 C ATOM 1516 C PHE A 93 9.186 4.917 2.502 1.00 0.00 C ATOM 1517 O PHE A 93 9.001 4.833 3.721 1.00 0.00 O ATOM 1518 CB PHE A 93 7.196 4.475 1.011 1.00 0.00 C ATOM 1519 CG PHE A 93 6.814 3.402 1.997 1.00 0.00 C ATOM 1520 CD1 PHE A 93 5.860 3.661 2.998 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.491 2.171 1.960 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.557 2.669 3.945 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.196 1.191 2.915 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.214 1.429 3.892 1.00 0.00 C ATOM 0 H PHE A 93 8.391 5.950 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 93 7.559 6.230 2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.290 4.951 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.691 4.013 0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.363 4.619 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.234 1.982 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.821 2.859 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.725 0.249 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.964 0.656 4.604 1.00 0.00 H new ATOM 1534 N ILE A 94 10.280 4.440 1.909 1.00 0.00 N ATOM 1535 CA ILE A 94 11.383 3.789 2.611 1.00 0.00 C ATOM 1536 C ILE A 94 12.060 4.788 3.553 1.00 0.00 C ATOM 1537 O ILE A 94 12.235 4.462 4.726 1.00 0.00 O ATOM 1538 CB ILE A 94 12.340 3.176 1.571 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.635 2.007 0.854 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.640 2.651 2.204 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.122 1.852 -0.578 1.00 0.00 C ATOM 0 H ILE A 94 10.426 4.498 0.901 1.00 0.00 H new ATOM 0 HA ILE A 94 11.024 2.974 3.240 1.00 0.00 H new ATOM 0 HB ILE A 94 12.603 3.968 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.815 1.082 1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.558 2.175 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.278 2.230 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.162 3.471 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.402 1.880 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.603 1.018 -1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 94 11.918 2.768 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.195 1.658 -0.579 1.00 0.00 H new ATOM 1553 N GLU A 95 12.394 5.997 3.085 1.00 0.00 N ATOM 1554 CA GLU A 95 12.941 7.031 3.964 1.00 0.00 C ATOM 1555 C GLU A 95 11.891 7.495 4.981 1.00 0.00 C ATOM 1556 O GLU A 95 12.260 7.941 6.068 1.00 0.00 O ATOM 1557 CB GLU A 95 13.481 8.223 3.156 1.00 0.00 C ATOM 1558 CG GLU A 95 14.828 7.935 2.465 1.00 0.00 C ATOM 1559 CD GLU A 95 15.847 9.066 2.675 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.830 10.065 1.918 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.711 8.952 3.581 1.00 0.00 O ATOM 0 H GLU A 95 12.295 6.279 2.110 1.00 0.00 H new ATOM 0 HA GLU A 95 13.776 6.593 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.746 8.503 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.598 9.079 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.239 7.002 2.851 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.662 7.792 1.397 1.00 0.00 H new ATOM 1568 N GLY A 96 10.599 7.335 4.672 1.00 0.00 N ATOM 1569 CA GLY A 96 9.499 7.738 5.540 1.00 0.00 C ATOM 1570 C GLY A 96 8.951 9.118 5.214 1.00 0.00 C ATOM 1571 O GLY A 96 8.133 9.636 5.976 1.00 0.00 O ATOM 0 H GLY A 96 10.289 6.914 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.695 7.007 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.839 7.725 6.576 1.00 0.00 H new ATOM 1575 N GLU A 97 9.413 9.689 4.100 1.00 0.00 N ATOM 1576 CA GLU A 97 9.113 11.018 3.610 1.00 0.00 C ATOM 1577 C GLU A 97 7.599 11.201 3.495 1.00 0.00 C ATOM 1578 O GLU A 97 7.059 12.192 3.987 1.00 0.00 O ATOM 1579 CB GLU A 97 9.855 11.185 2.265 1.00 0.00 C ATOM 1580 CG GLU A 97 10.664 12.477 2.130 1.00 0.00 C ATOM 1581 CD GLU A 97 9.898 13.606 1.444 1.00 0.00 C ATOM 1582 OE1 GLU A 97 8.754 13.906 1.876 1.00 0.00 O ATOM 1583 OE2 GLU A 97 10.419 14.177 0.465 1.00 0.00 O ATOM 0 H GLU A 97 10.051 9.192 3.479 1.00 0.00 H new ATOM 0 HA GLU A 97 9.454 11.795 4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.527 10.337 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.125 11.145 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.973 12.808 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.573 12.270 1.565 1.00 0.00 H new ATOM 1590 N LEU A 98 6.920 10.196 2.922 1.00 0.00 N ATOM 1591 CA LEU A 98 5.492 10.239 2.616 1.00 0.00 C ATOM 1592 C LEU A 98 4.688 10.578 3.849 1.00 0.00 C ATOM 1593 O LEU A 98 4.924 10.004 4.916 1.00 0.00 O ATOM 1594 CB LEU A 98 4.959 8.897 2.082 1.00 0.00 C ATOM 1595 CG LEU A 98 5.537 8.417 0.748 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.722 7.206 0.261 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.520 9.528 -0.301 1.00 0.00 C ATOM 0 H LEU A 98 7.361 9.316 2.655 1.00 0.00 H new ATOM 0 HA LEU A 98 5.380 11.004 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.150 8.130 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.877 8.977 1.977 1.00 0.00 H new ATOM 0 HG LEU A 98 6.578 8.130 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.125 6.855 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.783 6.406 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.680 7.498 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.937 9.153 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.494 9.855 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.117 10.370 0.051 1.00 0.00 H new ATOM 1609 N SER A 99 3.686 11.444 3.691 1.00 0.00 N ATOM 1610 CA SER A 99 2.778 11.701 4.781 1.00 0.00 C ATOM 1611 C SER A 99 1.678 10.652 4.805 1.00 0.00 C ATOM 1612 O SER A 99 1.381 9.985 3.804 1.00 0.00 O ATOM 1613 CB SER A 99 2.259 13.135 4.740 1.00 0.00 C ATOM 1614 OG SER A 99 1.860 13.511 6.044 1.00 0.00 O ATOM 0 H SER A 99 3.495 11.963 2.834 1.00 0.00 H new ATOM 0 HA SER A 99 3.313 11.613 5.727 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.035 13.807 4.374 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.418 13.213 4.051 1.00 0.00 H new ATOM 0 HG SER A 99 1.526 14.432 6.031 1.00 0.00 H new ATOM 1620 N LYS A 100 1.076 10.501 5.980 1.00 0.00 N ATOM 1621 CA LYS A 100 -0.095 9.667 6.145 1.00 0.00 C ATOM 1622 C LYS A 100 -1.287 10.419 5.587 1.00 0.00 C ATOM 1623 O LYS A 100 -1.355 11.638 5.714 1.00 0.00 O ATOM 1624 CB LYS A 100 -0.283 9.272 7.606 1.00 0.00 C ATOM 1625 CG LYS A 100 0.814 8.256 7.955 1.00 0.00 C ATOM 1626 CD LYS A 100 0.679 7.690 9.360 1.00 0.00 C ATOM 1627 CE LYS A 100 -0.602 6.882 9.529 1.00 0.00 C ATOM 1628 NZ LYS A 100 -0.648 6.234 10.850 1.00 0.00 N ATOM 0 H LYS A 100 1.390 10.954 6.838 1.00 0.00 H new ATOM 0 HA LYS A 100 0.020 8.731 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.214 10.147 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.271 8.838 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.785 7.437 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.789 8.734 7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.539 7.057 9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.691 8.506 10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.466 7.535 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.665 6.126 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.361 5.477 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.284 5.829 11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.900 6.938 11.573 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.239 9.701 4.996 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.502 10.329 4.632 1.00 0.00 C ATOM 1644 C ILE A 101 -4.168 10.783 5.937 1.00 0.00 C ATOM 1645 O ILE A 101 -3.923 10.251 7.024 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.351 9.393 3.728 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.681 9.354 2.337 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.811 9.851 3.564 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.307 8.385 1.328 1.00 0.00 C ATOM 0 H ILE A 101 -2.163 8.710 4.765 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.366 11.214 4.010 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.386 8.413 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.706 10.358 1.913 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.632 9.088 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.342 9.150 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.294 9.885 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.833 10.844 3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.761 8.437 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.258 7.369 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.348 8.659 1.159 1.00 0.00 H new ATOM 1661 N SER A 102 -4.976 11.822 5.815 1.00 0.00 N ATOM 1662 CA SER A 102 -5.873 12.348 6.813 1.00 0.00 C ATOM 1663 C SER A 102 -7.063 11.409 7.013 1.00 0.00 C ATOM 1664 O SER A 102 -6.915 10.195 6.905 1.00 0.00 O ATOM 1665 CB SER A 102 -6.230 13.752 6.344 1.00 0.00 C ATOM 1666 OG SER A 102 -6.817 13.715 5.056 1.00 0.00 O ATOM 0 H SER A 102 -5.020 12.356 4.947 1.00 0.00 H new ATOM 0 HA SER A 102 -5.427 12.413 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.920 14.212 7.051 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.334 14.373 6.323 1.00 0.00 H new ATOM 0 HG SER A 102 -7.041 14.626 4.772 1.00 0.00 H new ATOM 1672 N ASN A 103 -8.214 11.917 7.445 1.00 0.00 N ATOM 1673 CA ASN A 103 -9.437 11.138 7.580 1.00 0.00 C ATOM 1674 C ASN A 103 -10.408 11.532 6.451 1.00 0.00 C ATOM 1675 O ASN A 103 -11.186 12.475 6.604 1.00 0.00 O ATOM 1676 CB ASN A 103 -9.970 11.224 9.017 1.00 0.00 C ATOM 1677 CG ASN A 103 -10.275 12.628 9.531 1.00 0.00 C ATOM 1678 OD1 ASN A 103 -9.506 13.176 10.316 1.00 0.00 O ATOM 1679 ND2 ASN A 103 -11.412 13.202 9.209 1.00 0.00 N ATOM 0 H ASN A 103 -8.323 12.895 7.714 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.263 10.071 7.441 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.880 10.628 9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.240 10.765 9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.659 14.106 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -12.048 12.743 8.557 1.00 0.00 H new ATOM 1686 N PRO A 104 -10.305 10.916 5.262 1.00 0.00 N ATOM 1687 CA PRO A 104 -11.279 11.078 4.189 1.00 0.00 C ATOM 1688 C PRO A 104 -12.574 10.330 4.517 1.00 0.00 C ATOM 1689 O PRO A 104 -13.347 10.044 3.570 1.00 0.00 O ATOM 1690 CB PRO A 104 -10.577 10.552 2.939 1.00 0.00 C ATOM 1691 CG PRO A 104 -9.727 9.424 3.510 1.00 0.00 C ATOM 1692 CD PRO A 104 -9.284 9.974 4.855 1.00 0.00 C ATOM 0 HA PRO A 104 -11.588 12.113 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.286 10.192 2.193 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.969 11.319 2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.300 8.503 3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.876 9.195 2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.179 9.174 5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.313 10.463 4.775 1.00 0.00 H new TER 1700 PRO A 104