USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 957 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 85 THR OG1 : rot -6:sc= 0.506 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= 0.68 F(o=-0.74,f=1.2) USER MOD Set 2.1: A 1 MET N :NH3+ 164:sc= 0.186 (180deg=-0.12) USER MOD Set 2.2: A 78 GLN : amide:sc= 0.303 K(o=0.49,f=-5.8!) USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= -0.387 USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0.78) USER MOD Single : A 10 SER OG : rot -172:sc= 0.405 USER MOD Single : A 11 SER OG : rot 180:sc= -0.29 USER MOD Single : A 14 THR OG1 : rot 52:sc= 0.623 USER MOD Single : A 15 THR OG1 : rot 85:sc= 0.06 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 0.953 (180deg=0.803) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -0.0569 (180deg=-0.182) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00181) USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= 0.53 (180deg=-0.209) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= 0.321 (180deg=0.00832) USER MOD Single : A 47 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.035) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= 0.49 (180deg=0.322) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.61! C(o=-1.6!,f=-5.7!) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0.514 (180deg=0.389) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.087) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 0.728 (180deg=0.487) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.101 X(o=0.1,f=-0.083) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= -0.0166 (180deg=-0.142) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=-0.005) USER MOD Single : A 106 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.088) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.43) USER MOD Single : A 109 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.1) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.757 12.508 -16.097 1.00 2.14 N ATOM 2 CA MET A 1 2.585 13.957 -15.785 1.00 40.10 C ATOM 3 C MET A 1 3.297 14.336 -14.478 1.00 72.14 C ATOM 4 O MET A 1 3.290 15.508 -14.094 1.00 21.43 O ATOM 5 CB MET A 1 1.074 14.318 -15.670 1.00 52.31 C ATOM 6 CG MET A 1 0.351 13.702 -14.456 1.00 62.30 C ATOM 7 SD MET A 1 -1.378 14.211 -14.304 1.00 54.10 S ATOM 8 CE MET A 1 -1.846 13.414 -12.760 1.00 74.10 C ATOM 0 H1 MET A 1 2.061 12.222 -16.815 1.00 2.14 H new ATOM 0 H2 MET A 1 3.717 12.343 -16.461 1.00 2.14 H new ATOM 0 H3 MET A 1 2.613 11.947 -15.233 1.00 2.14 H new ATOM 0 HA MET A 1 3.032 14.520 -16.604 1.00 40.10 H new ATOM 0 HB2 MET A 1 0.977 15.403 -15.620 1.00 52.31 H new ATOM 0 HB3 MET A 1 0.568 13.994 -16.579 1.00 52.31 H new ATOM 0 HG2 MET A 1 0.395 12.615 -14.531 1.00 62.30 H new ATOM 0 HG3 MET A 1 0.884 13.981 -13.547 1.00 62.30 H new ATOM 0 HE1 MET A 1 -2.889 13.639 -12.536 1.00 74.10 H new ATOM 0 HE2 MET A 1 -1.719 12.335 -12.854 1.00 74.10 H new ATOM 0 HE3 MET A 1 -1.214 13.784 -11.953 1.00 74.10 H new ATOM 20 N GLY A 2 3.918 13.347 -13.810 1.00 23.43 N ATOM 21 CA GLY A 2 4.380 13.513 -12.433 1.00 60.22 C ATOM 22 C GLY A 2 3.287 13.136 -11.461 1.00 51.13 C ATOM 23 O GLY A 2 3.014 13.855 -10.495 1.00 13.33 O ATOM 0 H GLY A 2 4.108 12.427 -14.207 1.00 23.43 H new ATOM 0 HA2 GLY A 2 5.259 12.892 -12.260 1.00 60.22 H new ATOM 0 HA3 GLY A 2 4.683 14.547 -12.266 1.00 60.22 H new ATOM 27 N SER A 3 2.648 11.999 -11.748 1.00 44.12 N ATOM 28 CA SER A 3 1.561 11.445 -10.941 1.00 62.30 C ATOM 29 C SER A 3 2.092 10.896 -9.609 1.00 73.43 C ATOM 30 O SER A 3 3.298 10.912 -9.353 1.00 33.14 O ATOM 31 CB SER A 3 0.870 10.327 -11.748 1.00 62.22 C ATOM 32 OG SER A 3 0.457 10.801 -13.017 1.00 52.32 O ATOM 0 H SER A 3 2.876 11.429 -12.562 1.00 44.12 H new ATOM 0 HA SER A 3 0.844 12.232 -10.709 1.00 62.30 H new ATOM 0 HB2 SER A 3 1.554 9.488 -11.874 1.00 62.22 H new ATOM 0 HB3 SER A 3 0.007 9.955 -11.196 1.00 62.22 H new ATOM 0 HG SER A 3 0.023 10.075 -13.512 1.00 52.32 H new ATOM 38 N LYS A 4 1.183 10.407 -8.771 1.00 3.52 N ATOM 39 CA LYS A 4 1.526 9.789 -7.491 1.00 11.13 C ATOM 40 C LYS A 4 0.753 8.473 -7.358 1.00 23.20 C ATOM 41 O LYS A 4 -0.430 8.418 -7.680 1.00 1.12 O ATOM 42 CB LYS A 4 1.149 10.743 -6.319 1.00 63.12 C ATOM 43 CG LYS A 4 1.609 10.268 -4.905 1.00 43.15 C ATOM 44 CD LYS A 4 3.058 10.673 -4.559 1.00 23.20 C ATOM 45 CE LYS A 4 3.228 12.200 -4.428 1.00 40.10 C ATOM 46 NZ LYS A 4 4.613 12.567 -4.039 1.00 71.35 N ATOM 0 H LYS A 4 0.181 10.428 -8.961 1.00 3.52 H new ATOM 0 HA LYS A 4 2.598 9.596 -7.452 1.00 11.13 H new ATOM 0 HB2 LYS A 4 1.583 11.723 -6.515 1.00 63.12 H new ATOM 0 HB3 LYS A 4 0.066 10.870 -6.308 1.00 63.12 H new ATOM 0 HG2 LYS A 4 0.936 10.682 -4.155 1.00 43.15 H new ATOM 0 HG3 LYS A 4 1.520 9.183 -4.849 1.00 43.15 H new ATOM 0 HD2 LYS A 4 3.352 10.196 -3.624 1.00 23.20 H new ATOM 0 HD3 LYS A 4 3.731 10.301 -5.332 1.00 23.20 H new ATOM 0 HE2 LYS A 4 2.978 12.677 -5.376 1.00 40.10 H new ATOM 0 HE3 LYS A 4 2.528 12.582 -3.685 1.00 40.10 H new ATOM 0 HZ1 LYS A 4 4.801 13.552 -4.314 1.00 71.35 H new ATOM 0 HZ2 LYS A 4 4.722 12.468 -3.009 1.00 71.35 H new ATOM 0 HZ3 LYS A 4 5.287 11.938 -4.521 1.00 71.35 H new ATOM 60 N ILE A 5 1.448 7.412 -6.950 1.00 74.10 N ATOM 61 CA ILE A 5 0.832 6.215 -6.357 1.00 63.44 C ATOM 62 C ILE A 5 1.581 5.918 -5.062 1.00 70.34 C ATOM 63 O ILE A 5 2.791 6.172 -4.945 1.00 63.20 O ATOM 64 CB ILE A 5 0.818 4.940 -7.309 1.00 62.15 C ATOM 65 CG1 ILE A 5 2.259 4.489 -7.768 1.00 33.33 C ATOM 66 CG2 ILE A 5 -0.111 5.169 -8.519 1.00 11.12 C ATOM 67 CD1 ILE A 5 2.879 3.364 -6.946 1.00 15.25 C ATOM 0 H ILE A 5 2.464 7.354 -7.020 1.00 74.10 H new ATOM 0 HA ILE A 5 -0.222 6.428 -6.179 1.00 63.44 H new ATOM 0 HB ILE A 5 0.421 4.116 -6.717 1.00 62.15 H new ATOM 0 HG12 ILE A 5 2.208 4.171 -8.809 1.00 33.33 H new ATOM 0 HG13 ILE A 5 2.922 5.353 -7.730 1.00 33.33 H new ATOM 0 HG21 ILE A 5 -0.104 4.284 -9.155 1.00 11.12 H new ATOM 0 HG22 ILE A 5 -1.126 5.356 -8.168 1.00 11.12 H new ATOM 0 HG23 ILE A 5 0.240 6.029 -9.090 1.00 11.12 H new ATOM 0 HD11 ILE A 5 3.867 3.127 -7.340 1.00 15.25 H new ATOM 0 HD12 ILE A 5 2.969 3.680 -5.907 1.00 15.25 H new ATOM 0 HD13 ILE A 5 2.244 2.480 -7.003 1.00 15.25 H new ATOM 79 N ILE A 6 0.861 5.414 -4.081 1.00 52.55 N ATOM 80 CA ILE A 6 1.433 5.048 -2.789 1.00 51.21 C ATOM 81 C ILE A 6 1.320 3.545 -2.626 1.00 3.24 C ATOM 82 O ILE A 6 0.307 2.969 -2.977 1.00 61.14 O ATOM 83 CB ILE A 6 0.697 5.784 -1.623 1.00 3.03 C ATOM 84 CG1 ILE A 6 0.834 7.335 -1.758 1.00 44.30 C ATOM 85 CG2 ILE A 6 1.199 5.300 -0.252 1.00 4.23 C ATOM 86 CD1 ILE A 6 2.254 7.881 -1.724 1.00 3.02 C ATOM 0 H ILE A 6 -0.142 5.244 -4.152 1.00 52.55 H new ATOM 0 HA ILE A 6 2.480 5.349 -2.754 1.00 51.21 H new ATOM 0 HB ILE A 6 -0.362 5.536 -1.694 1.00 3.03 H new ATOM 0 HG12 ILE A 6 0.370 7.641 -2.695 1.00 44.30 H new ATOM 0 HG13 ILE A 6 0.266 7.802 -0.953 1.00 44.30 H new ATOM 0 HG21 ILE A 6 0.668 5.831 0.538 1.00 4.23 H new ATOM 0 HG22 ILE A 6 1.018 4.230 -0.155 1.00 4.23 H new ATOM 0 HG23 ILE A 6 2.268 5.496 -0.166 1.00 4.23 H new ATOM 0 HD11 ILE A 6 2.229 8.966 -1.826 1.00 3.02 H new ATOM 0 HD12 ILE A 6 2.723 7.616 -0.777 1.00 3.02 H new ATOM 0 HD13 ILE A 6 2.828 7.453 -2.546 1.00 3.02 H new ATOM 98 N VAL A 7 2.372 2.919 -2.106 1.00 73.35 N ATOM 99 CA VAL A 7 2.381 1.487 -1.828 1.00 31.13 C ATOM 100 C VAL A 7 2.541 1.292 -0.317 1.00 40.31 C ATOM 101 O VAL A 7 3.594 1.608 0.242 1.00 74.53 O ATOM 102 CB VAL A 7 3.527 0.746 -2.608 1.00 11.15 C ATOM 103 CG1 VAL A 7 3.428 -0.769 -2.385 1.00 40.11 C ATOM 104 CG2 VAL A 7 3.500 1.084 -4.118 1.00 34.45 C ATOM 0 H VAL A 7 3.243 3.392 -1.865 1.00 73.35 H new ATOM 0 HA VAL A 7 1.441 1.052 -2.168 1.00 31.13 H new ATOM 0 HB VAL A 7 4.481 1.096 -2.215 1.00 11.15 H new ATOM 0 HG11 VAL A 7 4.227 -1.270 -2.931 1.00 40.11 H new ATOM 0 HG12 VAL A 7 3.523 -0.987 -1.321 1.00 40.11 H new ATOM 0 HG13 VAL A 7 2.463 -1.127 -2.744 1.00 40.11 H new ATOM 0 HG21 VAL A 7 4.307 0.554 -4.624 1.00 34.45 H new ATOM 0 HG22 VAL A 7 2.543 0.779 -4.542 1.00 34.45 H new ATOM 0 HG23 VAL A 7 3.631 2.158 -4.253 1.00 34.45 H new ATOM 114 N ILE A 8 1.485 0.789 0.335 1.00 54.41 N ATOM 115 CA ILE A 8 1.442 0.632 1.793 1.00 15.12 C ATOM 116 C ILE A 8 1.509 -0.850 2.160 1.00 52.44 C ATOM 117 O ILE A 8 0.691 -1.649 1.727 1.00 51.23 O ATOM 118 CB ILE A 8 0.158 1.289 2.417 1.00 34.13 C ATOM 119 CG1 ILE A 8 0.153 2.817 2.118 1.00 24.40 C ATOM 120 CG2 ILE A 8 0.062 1.012 3.939 1.00 51.31 C ATOM 121 CD1 ILE A 8 -0.996 3.591 2.714 1.00 4.55 C ATOM 0 H ILE A 8 0.635 0.479 -0.136 1.00 54.41 H new ATOM 0 HA ILE A 8 2.307 1.149 2.208 1.00 15.12 H new ATOM 0 HB ILE A 8 -0.722 0.839 1.957 1.00 34.13 H new ATOM 0 HG12 ILE A 8 1.086 3.245 2.486 1.00 24.40 H new ATOM 0 HG13 ILE A 8 0.142 2.958 1.037 1.00 24.40 H new ATOM 0 HG21 ILE A 8 -0.838 1.481 4.338 1.00 51.31 H new ATOM 0 HG22 ILE A 8 0.018 -0.063 4.111 1.00 51.31 H new ATOM 0 HG23 ILE A 8 0.938 1.424 4.440 1.00 51.31 H new ATOM 0 HD11 ILE A 8 -0.904 4.643 2.446 1.00 4.55 H new ATOM 0 HD12 ILE A 8 -1.937 3.199 2.328 1.00 4.55 H new ATOM 0 HD13 ILE A 8 -0.978 3.490 3.799 1.00 4.55 H new ATOM 133 N ILE A 9 2.467 -1.164 3.016 1.00 32.23 N ATOM 134 CA ILE A 9 2.752 -2.510 3.472 1.00 45.21 C ATOM 135 C ILE A 9 1.989 -2.690 4.792 1.00 12.11 C ATOM 136 O ILE A 9 2.485 -2.326 5.871 1.00 74.32 O ATOM 137 CB ILE A 9 4.308 -2.759 3.659 1.00 1.05 C ATOM 138 CG1 ILE A 9 5.094 -2.660 2.298 1.00 41.24 C ATOM 139 CG2 ILE A 9 4.574 -4.126 4.341 1.00 33.34 C ATOM 140 CD1 ILE A 9 5.252 -1.260 1.697 1.00 31.13 C ATOM 0 H ILE A 9 3.087 -0.465 3.425 1.00 32.23 H new ATOM 0 HA ILE A 9 2.431 -3.242 2.731 1.00 45.21 H new ATOM 0 HB ILE A 9 4.679 -1.966 4.309 1.00 1.05 H new ATOM 0 HG12 ILE A 9 6.088 -3.081 2.448 1.00 41.24 H new ATOM 0 HG13 ILE A 9 4.588 -3.290 1.566 1.00 41.24 H new ATOM 0 HG21 ILE A 9 5.648 -4.272 4.457 1.00 33.34 H new ATOM 0 HG22 ILE A 9 4.097 -4.142 5.321 1.00 33.34 H new ATOM 0 HG23 ILE A 9 4.164 -4.926 3.725 1.00 33.34 H new ATOM 0 HD11 ILE A 9 5.810 -1.326 0.763 1.00 31.13 H new ATOM 0 HD12 ILE A 9 4.268 -0.834 1.502 1.00 31.13 H new ATOM 0 HD13 ILE A 9 5.791 -0.622 2.397 1.00 31.13 H new ATOM 152 N SER A 10 0.753 -3.206 4.689 1.00 25.11 N ATOM 153 CA SER A 10 -0.127 -3.355 5.847 1.00 4.24 C ATOM 154 C SER A 10 0.281 -4.634 6.588 1.00 32.14 C ATOM 155 O SER A 10 0.005 -5.757 6.130 1.00 1.33 O ATOM 156 CB SER A 10 -1.602 -3.401 5.410 1.00 53.15 C ATOM 157 OG SER A 10 -2.462 -3.558 6.522 1.00 54.32 O ATOM 0 H SER A 10 0.345 -3.526 3.811 1.00 25.11 H new ATOM 0 HA SER A 10 -0.025 -2.498 6.513 1.00 4.24 H new ATOM 0 HB2 SER A 10 -1.855 -2.484 4.878 1.00 53.15 H new ATOM 0 HB3 SER A 10 -1.752 -4.225 4.713 1.00 53.15 H new ATOM 0 HG SER A 10 -3.377 -3.715 6.208 1.00 54.32 H new ATOM 163 N SER A 11 1.011 -4.445 7.692 1.00 63.32 N ATOM 164 CA SER A 11 1.575 -5.544 8.479 1.00 3.11 C ATOM 165 C SER A 11 0.807 -5.689 9.802 1.00 34.12 C ATOM 166 O SER A 11 1.200 -5.103 10.818 1.00 4.35 O ATOM 167 CB SER A 11 3.077 -5.270 8.722 1.00 5.42 C ATOM 168 OG SER A 11 3.755 -5.076 7.492 1.00 74.51 O ATOM 0 H SER A 11 1.228 -3.521 8.066 1.00 63.32 H new ATOM 0 HA SER A 11 1.477 -6.484 7.936 1.00 3.11 H new ATOM 0 HB2 SER A 11 3.194 -4.387 9.351 1.00 5.42 H new ATOM 0 HB3 SER A 11 3.522 -6.107 9.261 1.00 5.42 H new ATOM 0 HG SER A 11 4.704 -4.902 7.665 1.00 74.51 H new ATOM 174 N ASP A 12 -0.327 -6.419 9.740 1.00 44.42 N ATOM 175 CA ASP A 12 -1.172 -6.791 10.907 1.00 74.12 C ATOM 176 C ASP A 12 -2.078 -5.620 11.370 1.00 31.22 C ATOM 177 O ASP A 12 -3.291 -5.793 11.493 1.00 11.10 O ATOM 178 CB ASP A 12 -0.337 -7.362 12.102 1.00 33.43 C ATOM 179 CG ASP A 12 0.500 -8.603 11.723 1.00 54.35 C ATOM 180 OD1 ASP A 12 -0.022 -9.726 11.802 1.00 62.12 O ATOM 181 OD2 ASP A 12 1.688 -8.451 11.351 1.00 13.54 O ATOM 0 H ASP A 12 -0.694 -6.777 8.858 1.00 44.42 H new ATOM 0 HA ASP A 12 -1.821 -7.594 10.559 1.00 74.12 H new ATOM 0 HB2 ASP A 12 0.328 -6.584 12.476 1.00 33.43 H new ATOM 0 HB3 ASP A 12 -1.013 -7.623 12.917 1.00 33.43 H new ATOM 186 N ASP A 13 -1.482 -4.440 11.627 1.00 24.32 N ATOM 187 CA ASP A 13 -2.215 -3.249 12.117 1.00 23.22 C ATOM 188 C ASP A 13 -3.078 -2.617 10.995 1.00 54.00 C ATOM 189 O ASP A 13 -2.724 -2.674 9.810 1.00 71.12 O ATOM 190 CB ASP A 13 -1.210 -2.221 12.707 1.00 4.32 C ATOM 191 CG ASP A 13 -1.898 -0.987 13.312 1.00 53.24 C ATOM 192 OD1 ASP A 13 -2.398 -1.069 14.453 1.00 33.21 O ATOM 193 OD2 ASP A 13 -1.980 0.060 12.642 1.00 14.50 O ATOM 0 H ASP A 13 -0.482 -4.282 11.502 1.00 24.32 H new ATOM 0 HA ASP A 13 -2.899 -3.560 12.907 1.00 23.22 H new ATOM 0 HB2 ASP A 13 -0.609 -2.708 13.475 1.00 4.32 H new ATOM 0 HB3 ASP A 13 -0.525 -1.900 11.923 1.00 4.32 H new ATOM 198 N THR A 14 -4.211 -2.007 11.391 1.00 11.24 N ATOM 199 CA THR A 14 -5.253 -1.548 10.451 1.00 60.35 C ATOM 200 C THR A 14 -5.196 -0.028 10.180 1.00 13.41 C ATOM 201 O THR A 14 -5.827 0.451 9.232 1.00 51.20 O ATOM 202 CB THR A 14 -6.673 -1.944 10.979 1.00 65.33 C ATOM 203 OG1 THR A 14 -7.679 -1.663 9.993 1.00 64.34 O ATOM 204 CG2 THR A 14 -7.039 -1.210 12.281 1.00 32.45 C ATOM 0 H THR A 14 -4.430 -1.818 12.369 1.00 11.24 H new ATOM 0 HA THR A 14 -5.058 -2.047 9.502 1.00 60.35 H new ATOM 0 HB THR A 14 -6.637 -3.014 11.184 1.00 65.33 H new ATOM 0 HG1 THR A 14 -7.425 -2.074 9.140 1.00 64.34 H new ATOM 0 HG21 THR A 14 -8.033 -1.519 12.606 1.00 32.45 H new ATOM 0 HG22 THR A 14 -6.311 -1.456 13.054 1.00 32.45 H new ATOM 0 HG23 THR A 14 -7.033 -0.134 12.106 1.00 32.45 H new ATOM 212 N THR A 15 -4.454 0.734 11.010 1.00 24.35 N ATOM 213 CA THR A 15 -4.358 2.206 10.873 1.00 51.34 C ATOM 214 C THR A 15 -3.657 2.611 9.554 1.00 24.35 C ATOM 215 O THR A 15 -3.915 3.682 9.019 1.00 2.21 O ATOM 216 CB THR A 15 -3.618 2.845 12.093 1.00 32.44 C ATOM 217 OG1 THR A 15 -4.096 2.235 13.306 1.00 0.30 O ATOM 218 CG2 THR A 15 -3.839 4.374 12.175 1.00 32.32 C ATOM 0 H THR A 15 -3.910 0.355 11.785 1.00 24.35 H new ATOM 0 HA THR A 15 -5.378 2.589 10.849 1.00 51.34 H new ATOM 0 HB THR A 15 -2.550 2.670 11.963 1.00 32.44 H new ATOM 0 HG1 THR A 15 -3.596 1.410 13.476 1.00 0.30 H new ATOM 0 HG21 THR A 15 -3.306 4.773 13.038 1.00 32.32 H new ATOM 0 HG22 THR A 15 -3.463 4.845 11.267 1.00 32.32 H new ATOM 0 HG23 THR A 15 -4.904 4.583 12.278 1.00 32.32 H new ATOM 226 N LEU A 16 -2.819 1.711 9.018 1.00 14.32 N ATOM 227 CA LEU A 16 -2.145 1.913 7.717 1.00 74.00 C ATOM 228 C LEU A 16 -3.187 1.907 6.571 1.00 62.41 C ATOM 229 O LEU A 16 -3.030 2.610 5.573 1.00 53.42 O ATOM 230 CB LEU A 16 -1.047 0.833 7.472 1.00 21.31 C ATOM 231 CG LEU A 16 0.230 0.902 8.388 1.00 72.21 C ATOM 232 CD1 LEU A 16 -0.079 0.497 9.841 1.00 13.51 C ATOM 233 CD2 LEU A 16 1.382 0.049 7.807 1.00 53.14 C ATOM 0 H LEU A 16 -2.587 0.825 9.468 1.00 14.32 H new ATOM 0 HA LEU A 16 -1.650 2.884 7.737 1.00 74.00 H new ATOM 0 HB2 LEU A 16 -1.502 -0.149 7.597 1.00 21.31 H new ATOM 0 HB3 LEU A 16 -0.725 0.905 6.433 1.00 21.31 H new ATOM 0 HG LEU A 16 0.554 1.942 8.405 1.00 72.21 H new ATOM 0 HD11 LEU A 16 0.831 0.559 10.437 1.00 13.51 H new ATOM 0 HD12 LEU A 16 -0.830 1.170 10.254 1.00 13.51 H new ATOM 0 HD13 LEU A 16 -0.457 -0.525 9.861 1.00 13.51 H new ATOM 0 HD21 LEU A 16 2.251 0.117 8.462 1.00 53.14 H new ATOM 0 HD22 LEU A 16 1.063 -0.991 7.733 1.00 53.14 H new ATOM 0 HD23 LEU A 16 1.645 0.419 6.816 1.00 53.14 H new ATOM 245 N GLU A 17 -4.261 1.120 6.772 1.00 4.35 N ATOM 246 CA GLU A 17 -5.388 0.976 5.826 1.00 4.34 C ATOM 247 C GLU A 17 -6.386 2.148 6.002 1.00 45.43 C ATOM 248 O GLU A 17 -7.020 2.596 5.038 1.00 74.11 O ATOM 249 CB GLU A 17 -6.098 -0.376 6.097 1.00 43.00 C ATOM 250 CG GLU A 17 -5.139 -1.589 6.235 1.00 15.13 C ATOM 251 CD GLU A 17 -5.836 -2.895 6.659 1.00 31.44 C ATOM 252 OE1 GLU A 17 -6.808 -2.846 7.446 1.00 21.30 O ATOM 253 OE2 GLU A 17 -5.411 -3.982 6.224 1.00 53.53 O ATOM 0 H GLU A 17 -4.373 0.554 7.613 1.00 4.35 H new ATOM 0 HA GLU A 17 -5.014 0.996 4.803 1.00 4.34 H new ATOM 0 HB2 GLU A 17 -6.685 -0.287 7.011 1.00 43.00 H new ATOM 0 HB3 GLU A 17 -6.799 -0.573 5.286 1.00 43.00 H new ATOM 0 HG2 GLU A 17 -4.636 -1.751 5.282 1.00 15.13 H new ATOM 0 HG3 GLU A 17 -4.367 -1.347 6.966 1.00 15.13 H new ATOM 260 N GLU A 18 -6.492 2.634 7.256 1.00 34.42 N ATOM 261 CA GLU A 18 -7.341 3.777 7.644 1.00 31.24 C ATOM 262 C GLU A 18 -6.839 5.062 6.951 1.00 60.11 C ATOM 263 O GLU A 18 -7.612 5.786 6.305 1.00 60.34 O ATOM 264 CB GLU A 18 -7.289 3.901 9.200 1.00 1.45 C ATOM 265 CG GLU A 18 -7.819 5.210 9.821 1.00 3.51 C ATOM 266 CD GLU A 18 -9.329 5.433 9.626 1.00 24.32 C ATOM 267 OE1 GLU A 18 -10.127 4.797 10.343 1.00 3.44 O ATOM 268 OE2 GLU A 18 -9.715 6.239 8.756 1.00 73.03 O ATOM 0 H GLU A 18 -5.979 2.234 8.042 1.00 34.42 H new ATOM 0 HA GLU A 18 -8.374 3.625 7.329 1.00 31.24 H new ATOM 0 HB2 GLU A 18 -7.856 3.072 9.624 1.00 1.45 H new ATOM 0 HB3 GLU A 18 -6.253 3.773 9.515 1.00 1.45 H new ATOM 0 HG2 GLU A 18 -7.598 5.208 10.888 1.00 3.51 H new ATOM 0 HG3 GLU A 18 -7.279 6.051 9.385 1.00 3.51 H new ATOM 275 N LEU A 19 -5.515 5.289 7.062 1.00 32.45 N ATOM 276 CA LEU A 19 -4.832 6.446 6.465 1.00 24.04 C ATOM 277 C LEU A 19 -4.825 6.336 4.933 1.00 4.41 C ATOM 278 O LEU A 19 -4.982 7.339 4.245 1.00 54.12 O ATOM 279 CB LEU A 19 -3.378 6.546 7.007 1.00 42.20 C ATOM 280 CG LEU A 19 -3.241 6.727 8.555 1.00 14.34 C ATOM 281 CD1 LEU A 19 -1.776 6.587 9.004 1.00 33.12 C ATOM 282 CD2 LEU A 19 -3.844 8.067 9.021 1.00 25.51 C ATOM 0 H LEU A 19 -4.888 4.668 7.573 1.00 32.45 H new ATOM 0 HA LEU A 19 -5.373 7.351 6.742 1.00 24.04 H new ATOM 0 HB2 LEU A 19 -2.839 5.644 6.716 1.00 42.20 H new ATOM 0 HB3 LEU A 19 -2.884 7.385 6.517 1.00 42.20 H new ATOM 0 HG LEU A 19 -3.811 5.929 9.031 1.00 14.34 H new ATOM 0 HD11 LEU A 19 -1.712 6.718 10.084 1.00 33.12 H new ATOM 0 HD12 LEU A 19 -1.406 5.597 8.736 1.00 33.12 H new ATOM 0 HD13 LEU A 19 -1.170 7.347 8.510 1.00 33.12 H new ATOM 0 HD21 LEU A 19 -3.732 8.160 10.101 1.00 25.51 H new ATOM 0 HD22 LEU A 19 -3.325 8.890 8.530 1.00 25.51 H new ATOM 0 HD23 LEU A 19 -4.902 8.099 8.762 1.00 25.51 H new ATOM 294 N ALA A 20 -4.679 5.088 4.430 1.00 34.33 N ATOM 295 CA ALA A 20 -4.606 4.772 2.986 1.00 24.41 C ATOM 296 C ALA A 20 -5.801 5.325 2.194 1.00 25.34 C ATOM 297 O ALA A 20 -5.646 5.777 1.051 1.00 14.20 O ATOM 298 CB ALA A 20 -4.510 3.250 2.792 1.00 70.23 C ATOM 0 H ALA A 20 -4.608 4.262 5.024 1.00 34.33 H new ATOM 0 HA ALA A 20 -3.712 5.259 2.596 1.00 24.41 H new ATOM 0 HB1 ALA A 20 -4.456 3.022 1.728 1.00 70.23 H new ATOM 0 HB2 ALA A 20 -3.615 2.876 3.289 1.00 70.23 H new ATOM 0 HB3 ALA A 20 -5.390 2.772 3.222 1.00 70.23 H new ATOM 304 N ARG A 21 -6.987 5.287 2.824 1.00 14.32 N ATOM 305 CA ARG A 21 -8.244 5.739 2.210 1.00 72.02 C ATOM 306 C ARG A 21 -8.295 7.279 2.139 1.00 62.33 C ATOM 307 O ARG A 21 -8.843 7.852 1.190 1.00 14.21 O ATOM 308 CB ARG A 21 -9.437 5.141 3.006 1.00 55.52 C ATOM 309 CG ARG A 21 -10.801 5.223 2.284 1.00 34.32 C ATOM 310 CD ARG A 21 -11.892 4.386 2.980 1.00 12.41 C ATOM 311 NE ARG A 21 -13.199 4.541 2.322 1.00 42.43 N ATOM 312 CZ ARG A 21 -14.259 3.735 2.489 1.00 73.42 C ATOM 313 NH1 ARG A 21 -14.198 2.672 3.292 1.00 12.01 N ATOM 314 NH2 ARG A 21 -15.386 4.008 1.852 1.00 54.44 N ATOM 0 H ARG A 21 -7.100 4.941 3.777 1.00 14.32 H new ATOM 0 HA ARG A 21 -8.307 5.383 1.182 1.00 72.02 H new ATOM 0 HB2 ARG A 21 -9.221 4.096 3.228 1.00 55.52 H new ATOM 0 HB3 ARG A 21 -9.515 5.660 3.961 1.00 55.52 H new ATOM 0 HG2 ARG A 21 -11.121 6.264 2.238 1.00 34.32 H new ATOM 0 HG3 ARG A 21 -10.685 4.879 1.256 1.00 34.32 H new ATOM 0 HD2 ARG A 21 -11.604 3.335 2.974 1.00 12.41 H new ATOM 0 HD3 ARG A 21 -11.972 4.688 4.024 1.00 12.41 H new ATOM 0 HE ARG A 21 -13.309 5.329 1.684 1.00 42.43 H new ATOM 0 HH11 ARG A 21 -13.335 2.460 3.792 1.00 12.01 H new ATOM 0 HH12 ARG A 21 -15.014 2.071 3.406 1.00 12.01 H new ATOM 0 HH21 ARG A 21 -15.442 4.824 1.242 1.00 54.44 H new ATOM 0 HH22 ARG A 21 -16.198 3.403 1.971 1.00 54.44 H new ATOM 328 N LYS A 22 -7.672 7.936 3.139 1.00 43.33 N ATOM 329 CA LYS A 22 -7.523 9.411 3.179 1.00 33.34 C ATOM 330 C LYS A 22 -6.458 9.883 2.164 1.00 21.32 C ATOM 331 O LYS A 22 -6.555 10.998 1.628 1.00 54.32 O ATOM 332 CB LYS A 22 -7.154 9.892 4.622 1.00 10.44 C ATOM 333 CG LYS A 22 -8.358 10.104 5.574 1.00 4.03 C ATOM 334 CD LYS A 22 -9.202 8.832 5.828 1.00 13.22 C ATOM 335 CE LYS A 22 -10.405 9.108 6.752 1.00 44.43 C ATOM 336 NZ LYS A 22 -11.241 7.898 6.949 1.00 32.45 N ATOM 0 H LYS A 22 -7.258 7.463 3.942 1.00 43.33 H new ATOM 0 HA LYS A 22 -8.480 9.854 2.903 1.00 33.34 H new ATOM 0 HB2 LYS A 22 -6.481 9.161 5.070 1.00 10.44 H new ATOM 0 HB3 LYS A 22 -6.602 10.829 4.546 1.00 10.44 H new ATOM 0 HG2 LYS A 22 -7.989 10.478 6.529 1.00 4.03 H new ATOM 0 HG3 LYS A 22 -9.004 10.877 5.157 1.00 4.03 H new ATOM 0 HD2 LYS A 22 -9.559 8.439 4.876 1.00 13.22 H new ATOM 0 HD3 LYS A 22 -8.572 8.063 6.274 1.00 13.22 H new ATOM 0 HE2 LYS A 22 -10.047 9.463 7.718 1.00 44.43 H new ATOM 0 HE3 LYS A 22 -11.015 9.905 6.326 1.00 44.43 H new ATOM 0 HZ1 LYS A 22 -12.165 8.174 7.339 1.00 32.45 H new ATOM 0 HZ2 LYS A 22 -11.379 7.419 6.036 1.00 32.45 H new ATOM 0 HZ3 LYS A 22 -10.766 7.251 7.610 1.00 32.45 H new ATOM 350 N ILE A 23 -5.440 9.033 1.927 1.00 34.34 N ATOM 351 CA ILE A 23 -4.363 9.294 0.956 1.00 54.25 C ATOM 352 C ILE A 23 -4.920 9.313 -0.472 1.00 40.11 C ATOM 353 O ILE A 23 -4.860 10.352 -1.136 1.00 63.13 O ATOM 354 CB ILE A 23 -3.209 8.224 1.100 1.00 4.22 C ATOM 355 CG1 ILE A 23 -2.540 8.336 2.508 1.00 70.33 C ATOM 356 CG2 ILE A 23 -2.158 8.353 -0.033 1.00 73.04 C ATOM 357 CD1 ILE A 23 -1.631 7.183 2.888 1.00 2.23 C ATOM 0 H ILE A 23 -5.343 8.139 2.409 1.00 34.34 H new ATOM 0 HA ILE A 23 -3.939 10.275 1.168 1.00 54.25 H new ATOM 0 HB ILE A 23 -3.656 7.234 1.006 1.00 4.22 H new ATOM 0 HG12 ILE A 23 -1.962 9.260 2.545 1.00 70.33 H new ATOM 0 HG13 ILE A 23 -3.325 8.421 3.259 1.00 70.33 H new ATOM 0 HG21 ILE A 23 -1.382 7.600 0.103 1.00 73.04 H new ATOM 0 HG22 ILE A 23 -2.643 8.205 -0.998 1.00 73.04 H new ATOM 0 HG23 ILE A 23 -1.709 9.346 -0.002 1.00 73.04 H new ATOM 0 HD11 ILE A 23 -1.218 7.358 3.881 1.00 2.23 H new ATOM 0 HD12 ILE A 23 -2.202 6.255 2.891 1.00 2.23 H new ATOM 0 HD13 ILE A 23 -0.819 7.107 2.165 1.00 2.23 H new ATOM 369 N LYS A 24 -5.518 8.175 -0.905 1.00 51.24 N ATOM 370 CA LYS A 24 -5.998 8.002 -2.293 1.00 31.23 C ATOM 371 C LYS A 24 -7.122 8.978 -2.677 1.00 1.32 C ATOM 372 O LYS A 24 -7.393 9.168 -3.867 1.00 0.35 O ATOM 373 CB LYS A 24 -6.414 6.550 -2.611 1.00 24.42 C ATOM 374 CG LYS A 24 -7.666 5.992 -1.878 1.00 63.43 C ATOM 375 CD LYS A 24 -8.407 4.933 -2.743 1.00 24.11 C ATOM 376 CE LYS A 24 -7.479 3.817 -3.281 1.00 71.21 C ATOM 377 NZ LYS A 24 -8.116 3.043 -4.382 1.00 12.42 N ATOM 0 H LYS A 24 -5.678 7.363 -0.308 1.00 51.24 H new ATOM 0 HA LYS A 24 -5.133 8.244 -2.911 1.00 31.23 H new ATOM 0 HB2 LYS A 24 -6.590 6.477 -3.684 1.00 24.42 H new ATOM 0 HB3 LYS A 24 -5.570 5.899 -2.381 1.00 24.42 H new ATOM 0 HG2 LYS A 24 -7.365 5.544 -0.931 1.00 63.43 H new ATOM 0 HG3 LYS A 24 -8.346 6.811 -1.642 1.00 63.43 H new ATOM 0 HD2 LYS A 24 -9.200 4.480 -2.148 1.00 24.11 H new ATOM 0 HD3 LYS A 24 -8.886 5.433 -3.585 1.00 24.11 H new ATOM 0 HE2 LYS A 24 -6.550 4.260 -3.640 1.00 71.21 H new ATOM 0 HE3 LYS A 24 -7.216 3.141 -2.468 1.00 71.21 H new ATOM 0 HZ1 LYS A 24 -7.381 2.680 -5.021 1.00 12.42 H new ATOM 0 HZ2 LYS A 24 -8.651 2.246 -3.982 1.00 12.42 H new ATOM 0 HZ3 LYS A 24 -8.762 3.662 -4.913 1.00 12.42 H new ATOM 391 N ASP A 25 -7.765 9.575 -1.652 1.00 33.32 N ATOM 392 CA ASP A 25 -8.866 10.547 -1.816 1.00 71.51 C ATOM 393 C ASP A 25 -8.454 11.788 -2.658 1.00 33.22 C ATOM 394 O ASP A 25 -9.319 12.469 -3.214 1.00 72.34 O ATOM 395 CB ASP A 25 -9.378 10.988 -0.419 1.00 41.43 C ATOM 396 CG ASP A 25 -10.762 11.664 -0.475 1.00 60.34 C ATOM 397 OD1 ASP A 25 -11.773 10.932 -0.572 1.00 14.04 O ATOM 398 OD2 ASP A 25 -10.855 12.912 -0.429 1.00 40.34 O ATOM 0 H ASP A 25 -7.531 9.393 -0.676 1.00 33.32 H new ATOM 0 HA ASP A 25 -9.664 10.049 -2.367 1.00 71.51 H new ATOM 0 HB2 ASP A 25 -9.430 10.118 0.235 1.00 41.43 H new ATOM 0 HB3 ASP A 25 -8.660 11.677 0.025 1.00 41.43 H new ATOM 403 N GLU A 26 -7.130 12.058 -2.763 1.00 61.34 N ATOM 404 CA GLU A 26 -6.582 13.173 -3.586 1.00 44.54 C ATOM 405 C GLU A 26 -6.627 12.853 -5.110 1.00 34.53 C ATOM 406 O GLU A 26 -6.231 13.689 -5.933 1.00 23.14 O ATOM 407 CB GLU A 26 -5.117 13.494 -3.163 1.00 63.04 C ATOM 408 CG GLU A 26 -4.913 13.875 -1.678 1.00 54.43 C ATOM 409 CD GLU A 26 -5.610 15.183 -1.271 1.00 53.11 C ATOM 410 OE1 GLU A 26 -5.099 16.272 -1.633 1.00 22.14 O ATOM 411 OE2 GLU A 26 -6.663 15.135 -0.595 1.00 11.05 O ATOM 0 H GLU A 26 -6.412 11.514 -2.284 1.00 61.34 H new ATOM 0 HA GLU A 26 -7.214 14.043 -3.406 1.00 44.54 H new ATOM 0 HB2 GLU A 26 -4.496 12.626 -3.384 1.00 63.04 H new ATOM 0 HB3 GLU A 26 -4.751 14.313 -3.782 1.00 63.04 H new ATOM 0 HG2 GLU A 26 -5.286 13.065 -1.051 1.00 54.43 H new ATOM 0 HG3 GLU A 26 -3.845 13.966 -1.480 1.00 54.43 H new ATOM 418 N GLY A 27 -7.082 11.638 -5.467 1.00 24.11 N ATOM 419 CA GLY A 27 -7.244 11.223 -6.868 1.00 54.03 C ATOM 420 C GLY A 27 -6.072 10.389 -7.378 1.00 51.23 C ATOM 421 O GLY A 27 -5.682 10.499 -8.546 1.00 64.32 O ATOM 0 H GLY A 27 -7.346 10.920 -4.793 1.00 24.11 H new ATOM 0 HA2 GLY A 27 -8.164 10.647 -6.967 1.00 54.03 H new ATOM 0 HA3 GLY A 27 -7.353 12.109 -7.494 1.00 54.03 H new ATOM 425 N LEU A 28 -5.498 9.558 -6.489 1.00 55.22 N ATOM 426 CA LEU A 28 -4.382 8.636 -6.827 1.00 22.44 C ATOM 427 C LEU A 28 -4.744 7.208 -6.415 1.00 41.13 C ATOM 428 O LEU A 28 -5.694 7.004 -5.663 1.00 73.54 O ATOM 429 CB LEU A 28 -3.050 9.039 -6.133 1.00 73.34 C ATOM 430 CG LEU A 28 -3.042 9.049 -4.568 1.00 1.54 C ATOM 431 CD1 LEU A 28 -1.618 8.867 -4.009 1.00 12.14 C ATOM 432 CD2 LEU A 28 -3.668 10.344 -4.035 1.00 10.33 C ATOM 0 H LEU A 28 -5.790 9.502 -5.513 1.00 55.22 H new ATOM 0 HA LEU A 28 -4.232 8.698 -7.905 1.00 22.44 H new ATOM 0 HB2 LEU A 28 -2.271 8.356 -6.472 1.00 73.34 H new ATOM 0 HB3 LEU A 28 -2.774 10.035 -6.480 1.00 73.34 H new ATOM 0 HG LEU A 28 -3.642 8.205 -4.228 1.00 1.54 H new ATOM 0 HD11 LEU A 28 -1.651 8.879 -2.920 1.00 12.14 H new ATOM 0 HD12 LEU A 28 -1.212 7.914 -4.350 1.00 12.14 H new ATOM 0 HD13 LEU A 28 -0.982 9.679 -4.362 1.00 12.14 H new ATOM 0 HD21 LEU A 28 -3.654 10.333 -2.945 1.00 10.33 H new ATOM 0 HD22 LEU A 28 -3.098 11.200 -4.397 1.00 10.33 H new ATOM 0 HD23 LEU A 28 -4.698 10.421 -4.384 1.00 10.33 H new ATOM 444 N GLU A 29 -3.992 6.223 -6.935 1.00 72.22 N ATOM 445 CA GLU A 29 -4.134 4.816 -6.531 1.00 53.21 C ATOM 446 C GLU A 29 -3.195 4.495 -5.352 1.00 64.55 C ATOM 447 O GLU A 29 -2.105 5.062 -5.245 1.00 21.00 O ATOM 448 CB GLU A 29 -3.829 3.885 -7.738 1.00 21.14 C ATOM 449 CG GLU A 29 -4.077 2.382 -7.476 1.00 24.03 C ATOM 450 CD GLU A 29 -5.542 2.075 -7.093 1.00 13.33 C ATOM 451 OE1 GLU A 29 -6.395 2.040 -8.003 1.00 0.42 O ATOM 452 OE2 GLU A 29 -5.846 1.909 -5.887 1.00 53.21 O ATOM 0 H GLU A 29 -3.274 6.379 -7.642 1.00 72.22 H new ATOM 0 HA GLU A 29 -5.160 4.646 -6.206 1.00 53.21 H new ATOM 0 HB2 GLU A 29 -4.441 4.198 -8.584 1.00 21.14 H new ATOM 0 HB3 GLU A 29 -2.788 4.022 -8.030 1.00 21.14 H new ATOM 0 HG2 GLU A 29 -3.813 1.814 -8.368 1.00 24.03 H new ATOM 0 HG3 GLU A 29 -3.419 2.044 -6.676 1.00 24.03 H new ATOM 459 N VAL A 30 -3.652 3.596 -4.466 1.00 42.44 N ATOM 460 CA VAL A 30 -2.829 3.012 -3.401 1.00 5.40 C ATOM 461 C VAL A 30 -2.822 1.479 -3.556 1.00 45.23 C ATOM 462 O VAL A 30 -3.885 0.846 -3.648 1.00 43.34 O ATOM 463 CB VAL A 30 -3.323 3.427 -1.956 1.00 12.31 C ATOM 464 CG1 VAL A 30 -2.537 2.683 -0.851 1.00 65.22 C ATOM 465 CG2 VAL A 30 -3.211 4.958 -1.754 1.00 50.22 C ATOM 0 H VAL A 30 -4.612 3.252 -4.471 1.00 42.44 H new ATOM 0 HA VAL A 30 -1.816 3.402 -3.502 1.00 5.40 H new ATOM 0 HB VAL A 30 -4.371 3.139 -1.876 1.00 12.31 H new ATOM 0 HG11 VAL A 30 -2.903 2.993 0.128 1.00 65.22 H new ATOM 0 HG12 VAL A 30 -2.676 1.608 -0.967 1.00 65.22 H new ATOM 0 HG13 VAL A 30 -1.477 2.923 -0.934 1.00 65.22 H new ATOM 0 HG21 VAL A 30 -3.556 5.219 -0.754 1.00 50.22 H new ATOM 0 HG22 VAL A 30 -2.172 5.265 -1.871 1.00 50.22 H new ATOM 0 HG23 VAL A 30 -3.826 5.469 -2.495 1.00 50.22 H new ATOM 475 N TYR A 31 -1.612 0.910 -3.575 1.00 71.35 N ATOM 476 CA TYR A 31 -1.384 -0.528 -3.682 1.00 12.12 C ATOM 477 C TYR A 31 -0.993 -1.038 -2.298 1.00 20.10 C ATOM 478 O TYR A 31 0.058 -0.669 -1.778 1.00 24.11 O ATOM 479 CB TYR A 31 -0.247 -0.821 -4.689 1.00 11.00 C ATOM 480 CG TYR A 31 -0.545 -0.385 -6.132 1.00 31.24 C ATOM 481 CD1 TYR A 31 -1.336 -1.175 -6.969 1.00 32.12 C ATOM 482 CD2 TYR A 31 -0.024 0.802 -6.663 1.00 12.04 C ATOM 483 CE1 TYR A 31 -1.598 -0.798 -8.271 1.00 23.23 C ATOM 484 CE2 TYR A 31 -0.290 1.182 -7.967 1.00 23.43 C ATOM 485 CZ TYR A 31 -1.074 0.375 -8.767 1.00 13.11 C ATOM 486 OH TYR A 31 -1.338 0.742 -10.073 1.00 60.51 O ATOM 0 H TYR A 31 -0.749 1.450 -3.515 1.00 71.35 H new ATOM 0 HA TYR A 31 -2.286 -1.026 -4.038 1.00 12.12 H new ATOM 0 HB2 TYR A 31 0.659 -0.318 -4.351 1.00 11.00 H new ATOM 0 HB3 TYR A 31 -0.039 -1.891 -4.682 1.00 11.00 H new ATOM 0 HD1 TYR A 31 -1.750 -2.098 -6.591 1.00 32.12 H new ATOM 0 HD2 TYR A 31 0.597 1.432 -6.043 1.00 12.04 H new ATOM 0 HE1 TYR A 31 -2.214 -1.423 -8.901 1.00 23.23 H new ATOM 0 HE2 TYR A 31 0.114 2.105 -8.357 1.00 23.43 H new ATOM 0 HH TYR A 31 -0.897 1.595 -10.269 1.00 60.51 H new ATOM 496 N ILE A 32 -1.841 -1.862 -1.692 1.00 41.12 N ATOM 497 CA ILE A 32 -1.562 -2.425 -0.373 1.00 34.12 C ATOM 498 C ILE A 32 -0.795 -3.743 -0.550 1.00 70.22 C ATOM 499 O ILE A 32 -1.311 -4.674 -1.156 1.00 41.50 O ATOM 500 CB ILE A 32 -2.880 -2.677 0.449 1.00 71.21 C ATOM 501 CG1 ILE A 32 -3.769 -1.391 0.542 1.00 14.24 C ATOM 502 CG2 ILE A 32 -2.558 -3.230 1.860 1.00 13.30 C ATOM 503 CD1 ILE A 32 -3.173 -0.245 1.344 1.00 53.24 C ATOM 0 H ILE A 32 -2.731 -2.157 -2.094 1.00 41.12 H new ATOM 0 HA ILE A 32 -0.963 -1.708 0.188 1.00 34.12 H new ATOM 0 HB ILE A 32 -3.456 -3.429 -0.090 1.00 71.21 H new ATOM 0 HG12 ILE A 32 -3.974 -1.037 -0.468 1.00 14.24 H new ATOM 0 HG13 ILE A 32 -4.727 -1.663 0.985 1.00 14.24 H new ATOM 0 HG21 ILE A 32 -3.486 -3.395 2.407 1.00 13.30 H new ATOM 0 HG22 ILE A 32 -2.019 -4.173 1.767 1.00 13.30 H new ATOM 0 HG23 ILE A 32 -1.942 -2.512 2.400 1.00 13.30 H new ATOM 0 HD11 ILE A 32 -3.866 0.596 1.347 1.00 53.24 H new ATOM 0 HD12 ILE A 32 -2.995 -0.572 2.368 1.00 53.24 H new ATOM 0 HD13 ILE A 32 -2.230 0.063 0.892 1.00 53.24 H new ATOM 515 N LEU A 33 0.442 -3.815 -0.045 1.00 63.45 N ATOM 516 CA LEU A 33 1.203 -5.062 -0.015 1.00 40.05 C ATOM 517 C LEU A 33 0.861 -5.796 1.269 1.00 61.43 C ATOM 518 O LEU A 33 1.267 -5.390 2.368 1.00 21.43 O ATOM 519 CB LEU A 33 2.724 -4.801 -0.122 1.00 3.53 C ATOM 520 CG LEU A 33 3.195 -4.123 -1.438 1.00 14.25 C ATOM 521 CD1 LEU A 33 4.730 -4.175 -1.578 1.00 73.23 C ATOM 522 CD2 LEU A 33 2.485 -4.717 -2.677 1.00 64.52 C ATOM 0 H LEU A 33 0.937 -3.016 0.350 1.00 63.45 H new ATOM 0 HA LEU A 33 0.933 -5.675 -0.875 1.00 40.05 H new ATOM 0 HB2 LEU A 33 3.028 -4.175 0.717 1.00 3.53 H new ATOM 0 HB3 LEU A 33 3.247 -5.752 -0.016 1.00 3.53 H new ATOM 0 HG LEU A 33 2.908 -3.073 -1.383 1.00 14.25 H new ATOM 0 HD11 LEU A 33 5.027 -3.692 -2.509 1.00 73.23 H new ATOM 0 HD12 LEU A 33 5.190 -3.656 -0.737 1.00 73.23 H new ATOM 0 HD13 LEU A 33 5.060 -5.214 -1.587 1.00 73.23 H new ATOM 0 HD21 LEU A 33 2.842 -4.216 -3.576 1.00 64.52 H new ATOM 0 HD22 LEU A 33 2.703 -5.783 -2.745 1.00 64.52 H new ATOM 0 HD23 LEU A 33 1.409 -4.572 -2.584 1.00 64.52 H new ATOM 534 N LEU A 34 0.066 -6.851 1.119 1.00 20.50 N ATOM 535 CA LEU A 34 -0.417 -7.641 2.230 1.00 13.23 C ATOM 536 C LEU A 34 0.572 -8.785 2.464 1.00 32.32 C ATOM 537 O LEU A 34 0.839 -9.590 1.555 1.00 4.24 O ATOM 538 CB LEU A 34 -1.866 -8.169 1.938 1.00 22.33 C ATOM 539 CG LEU A 34 -2.862 -8.123 3.145 1.00 1.11 C ATOM 540 CD1 LEU A 34 -2.447 -9.081 4.290 1.00 65.30 C ATOM 541 CD2 LEU A 34 -3.025 -6.665 3.658 1.00 71.44 C ATOM 0 H LEU A 34 -0.260 -7.179 0.210 1.00 20.50 H new ATOM 0 HA LEU A 34 -0.481 -7.035 3.133 1.00 13.23 H new ATOM 0 HB2 LEU A 34 -2.288 -7.585 1.120 1.00 22.33 H new ATOM 0 HB3 LEU A 34 -1.794 -9.199 1.589 1.00 22.33 H new ATOM 0 HG LEU A 34 -3.829 -8.474 2.784 1.00 1.11 H new ATOM 0 HD11 LEU A 34 -3.170 -9.011 5.103 1.00 65.30 H new ATOM 0 HD12 LEU A 34 -2.419 -10.104 3.916 1.00 65.30 H new ATOM 0 HD13 LEU A 34 -1.460 -8.802 4.658 1.00 65.30 H new ATOM 0 HD21 LEU A 34 -3.721 -6.650 4.497 1.00 71.44 H new ATOM 0 HD22 LEU A 34 -2.057 -6.283 3.982 1.00 71.44 H new ATOM 0 HD23 LEU A 34 -3.412 -6.038 2.855 1.00 71.44 H new ATOM 553 N LYS A 35 1.125 -8.826 3.676 1.00 33.43 N ATOM 554 CA LYS A 35 1.982 -9.911 4.138 1.00 75.35 C ATOM 555 C LYS A 35 1.414 -10.421 5.466 1.00 32.40 C ATOM 556 O LYS A 35 1.275 -9.670 6.444 1.00 1.43 O ATOM 557 CB LYS A 35 3.458 -9.431 4.256 1.00 12.14 C ATOM 558 CG LYS A 35 3.684 -8.186 5.144 1.00 25.31 C ATOM 559 CD LYS A 35 5.137 -7.673 5.093 1.00 21.41 C ATOM 560 CE LYS A 35 6.173 -8.736 5.496 1.00 1.24 C ATOM 561 NZ LYS A 35 6.009 -9.188 6.903 1.00 22.31 N ATOM 0 H LYS A 35 0.986 -8.094 4.373 1.00 33.43 H new ATOM 0 HA LYS A 35 1.994 -10.733 3.423 1.00 75.35 H new ATOM 0 HB2 LYS A 35 4.058 -10.251 4.651 1.00 12.14 H new ATOM 0 HB3 LYS A 35 3.833 -9.215 3.255 1.00 12.14 H new ATOM 0 HG2 LYS A 35 3.011 -7.390 4.825 1.00 25.31 H new ATOM 0 HG3 LYS A 35 3.425 -8.428 6.175 1.00 25.31 H new ATOM 0 HD2 LYS A 35 5.357 -7.326 4.083 1.00 21.41 H new ATOM 0 HD3 LYS A 35 5.234 -6.812 5.754 1.00 21.41 H new ATOM 0 HE2 LYS A 35 6.086 -9.594 4.830 1.00 1.24 H new ATOM 0 HE3 LYS A 35 7.176 -8.330 5.363 1.00 1.24 H new ATOM 0 HZ1 LYS A 35 6.731 -9.903 7.124 1.00 22.31 H new ATOM 0 HZ2 LYS A 35 6.119 -8.376 7.544 1.00 22.31 H new ATOM 0 HZ3 LYS A 35 5.063 -9.601 7.027 1.00 22.31 H new ATOM 575 N ASP A 36 1.033 -11.692 5.463 1.00 41.42 N ATOM 576 CA ASP A 36 0.359 -12.341 6.587 1.00 62.51 C ATOM 577 C ASP A 36 1.014 -13.700 6.836 1.00 22.43 C ATOM 578 O ASP A 36 1.785 -14.182 5.994 1.00 22.23 O ATOM 579 CB ASP A 36 -1.143 -12.486 6.242 1.00 41.13 C ATOM 580 CG ASP A 36 -2.052 -12.830 7.434 1.00 25.04 C ATOM 581 OD1 ASP A 36 -2.445 -11.901 8.167 1.00 3.32 O ATOM 582 OD2 ASP A 36 -2.387 -14.020 7.640 1.00 71.32 O ATOM 0 H ASP A 36 1.185 -12.313 4.668 1.00 41.42 H new ATOM 0 HA ASP A 36 0.448 -11.749 7.498 1.00 62.51 H new ATOM 0 HB2 ASP A 36 -1.490 -11.554 5.797 1.00 41.13 H new ATOM 0 HB3 ASP A 36 -1.253 -13.262 5.484 1.00 41.13 H new ATOM 587 N LYS A 37 0.697 -14.313 7.975 1.00 1.12 N ATOM 588 CA LYS A 37 1.223 -15.628 8.342 1.00 23.42 C ATOM 589 C LYS A 37 0.613 -16.730 7.450 1.00 21.23 C ATOM 590 O LYS A 37 1.294 -17.693 7.084 1.00 5.23 O ATOM 591 CB LYS A 37 0.940 -15.911 9.845 1.00 51.04 C ATOM 592 CG LYS A 37 1.525 -17.246 10.377 1.00 12.42 C ATOM 593 CD LYS A 37 3.064 -17.357 10.219 1.00 4.53 C ATOM 594 CE LYS A 37 3.838 -16.292 11.017 1.00 21.31 C ATOM 595 NZ LYS A 37 3.669 -16.448 12.485 1.00 44.25 N ATOM 0 H LYS A 37 0.068 -13.912 8.671 1.00 1.12 H new ATOM 0 HA LYS A 37 2.301 -15.631 8.184 1.00 23.42 H new ATOM 0 HB2 LYS A 37 1.346 -15.091 10.437 1.00 51.04 H new ATOM 0 HB3 LYS A 37 -0.139 -15.915 10.003 1.00 51.04 H new ATOM 0 HG2 LYS A 37 1.268 -17.351 11.431 1.00 12.42 H new ATOM 0 HG3 LYS A 37 1.053 -18.075 9.850 1.00 12.42 H new ATOM 0 HD2 LYS A 37 3.385 -18.347 10.543 1.00 4.53 H new ATOM 0 HD3 LYS A 37 3.321 -17.268 9.164 1.00 4.53 H new ATOM 0 HE2 LYS A 37 4.897 -16.354 10.768 1.00 21.31 H new ATOM 0 HE3 LYS A 37 3.498 -15.300 10.719 1.00 21.31 H new ATOM 0 HZ1 LYS A 37 4.223 -15.718 12.978 1.00 44.25 H new ATOM 0 HZ2 LYS A 37 2.664 -16.345 12.732 1.00 44.25 H new ATOM 0 HZ3 LYS A 37 4.002 -17.390 12.775 1.00 44.25 H new ATOM 609 N ASP A 38 -0.668 -16.559 7.086 1.00 4.25 N ATOM 610 CA ASP A 38 -1.461 -17.591 6.388 1.00 32.15 C ATOM 611 C ASP A 38 -1.931 -17.139 4.994 1.00 33.01 C ATOM 612 O ASP A 38 -1.653 -16.016 4.564 1.00 32.44 O ATOM 613 CB ASP A 38 -2.661 -17.991 7.278 1.00 63.21 C ATOM 614 CG ASP A 38 -2.230 -18.773 8.530 1.00 51.31 C ATOM 615 OD1 ASP A 38 -2.071 -20.015 8.442 1.00 72.31 O ATOM 616 OD2 ASP A 38 -2.025 -18.153 9.593 1.00 32.24 O ATOM 0 H ASP A 38 -1.187 -15.700 7.267 1.00 4.25 H new ATOM 0 HA ASP A 38 -0.819 -18.456 6.220 1.00 32.15 H new ATOM 0 HB2 ASP A 38 -3.199 -17.093 7.582 1.00 63.21 H new ATOM 0 HB3 ASP A 38 -3.355 -18.597 6.696 1.00 63.21 H new ATOM 621 N GLU A 39 -2.649 -18.053 4.301 1.00 24.42 N ATOM 622 CA GLU A 39 -3.089 -17.869 2.904 1.00 42.02 C ATOM 623 C GLU A 39 -4.516 -17.300 2.837 1.00 22.12 C ATOM 624 O GLU A 39 -4.727 -16.239 2.254 1.00 40.10 O ATOM 625 CB GLU A 39 -3.015 -19.221 2.142 1.00 4.11 C ATOM 626 CG GLU A 39 -1.603 -19.835 2.060 1.00 13.33 C ATOM 627 CD GLU A 39 -0.648 -19.052 1.142 1.00 32.31 C ATOM 628 OE1 GLU A 39 -0.625 -19.334 -0.078 1.00 2.32 O ATOM 629 OE2 GLU A 39 0.088 -18.165 1.632 1.00 54.41 O ATOM 0 H GLU A 39 -2.940 -18.945 4.701 1.00 24.42 H new ATOM 0 HA GLU A 39 -2.420 -17.151 2.430 1.00 42.02 H new ATOM 0 HB2 GLU A 39 -3.679 -19.935 2.629 1.00 4.11 H new ATOM 0 HB3 GLU A 39 -3.392 -19.074 1.130 1.00 4.11 H new ATOM 0 HG2 GLU A 39 -1.176 -19.881 3.062 1.00 13.33 H new ATOM 0 HG3 GLU A 39 -1.681 -20.861 1.700 1.00 13.33 H new ATOM 636 N LYS A 40 -5.495 -18.029 3.427 1.00 2.15 N ATOM 637 CA LYS A 40 -6.921 -17.622 3.413 1.00 22.12 C ATOM 638 C LYS A 40 -7.185 -16.435 4.366 1.00 22.32 C ATOM 639 O LYS A 40 -8.067 -15.598 4.106 1.00 32.20 O ATOM 640 CB LYS A 40 -7.862 -18.822 3.739 1.00 42.32 C ATOM 641 CG LYS A 40 -9.366 -18.438 3.892 1.00 35.01 C ATOM 642 CD LYS A 40 -10.319 -19.647 4.008 1.00 53.31 C ATOM 643 CE LYS A 40 -10.483 -20.410 2.680 1.00 11.54 C ATOM 644 NZ LYS A 40 -11.058 -19.545 1.611 1.00 50.44 N ATOM 0 H LYS A 40 -5.321 -18.905 3.920 1.00 2.15 H new ATOM 0 HA LYS A 40 -7.148 -17.288 2.401 1.00 22.12 H new ATOM 0 HB2 LYS A 40 -7.768 -19.567 2.949 1.00 42.32 H new ATOM 0 HB3 LYS A 40 -7.524 -19.293 4.662 1.00 42.32 H new ATOM 0 HG2 LYS A 40 -9.481 -17.812 4.777 1.00 35.01 H new ATOM 0 HG3 LYS A 40 -9.665 -17.835 3.034 1.00 35.01 H new ATOM 0 HD2 LYS A 40 -9.941 -20.330 4.769 1.00 53.31 H new ATOM 0 HD3 LYS A 40 -11.296 -19.302 4.346 1.00 53.31 H new ATOM 0 HE2 LYS A 40 -9.514 -20.790 2.357 1.00 11.54 H new ATOM 0 HE3 LYS A 40 -11.129 -21.274 2.835 1.00 11.54 H new ATOM 0 HZ1 LYS A 40 -11.596 -20.132 0.942 1.00 50.44 H new ATOM 0 HZ2 LYS A 40 -11.691 -18.839 2.039 1.00 50.44 H new ATOM 0 HZ3 LYS A 40 -10.289 -19.060 1.106 1.00 50.44 H new ATOM 658 N ARG A 41 -6.398 -16.352 5.447 1.00 3.01 N ATOM 659 CA ARG A 41 -6.495 -15.250 6.425 1.00 15.32 C ATOM 660 C ARG A 41 -6.092 -13.926 5.733 1.00 63.40 C ATOM 661 O ARG A 41 -6.751 -12.891 5.895 1.00 62.25 O ATOM 662 CB ARG A 41 -5.601 -15.568 7.674 1.00 55.03 C ATOM 663 CG ARG A 41 -6.219 -15.184 9.044 1.00 74.41 C ATOM 664 CD ARG A 41 -6.098 -13.689 9.390 1.00 61.14 C ATOM 665 NE ARG A 41 -4.695 -13.299 9.617 1.00 4.41 N ATOM 666 CZ ARG A 41 -4.119 -13.103 10.824 1.00 63.34 C ATOM 667 NH1 ARG A 41 -4.812 -13.235 11.957 1.00 41.24 N ATOM 668 NH2 ARG A 41 -2.842 -12.761 10.882 1.00 30.31 N ATOM 0 H ARG A 41 -5.679 -17.040 5.671 1.00 3.01 H new ATOM 0 HA ARG A 41 -7.519 -15.143 6.783 1.00 15.32 H new ATOM 0 HB2 ARG A 41 -5.379 -16.635 7.680 1.00 55.03 H new ATOM 0 HB3 ARG A 41 -4.651 -15.046 7.563 1.00 55.03 H new ATOM 0 HG2 ARG A 41 -7.273 -15.462 9.046 1.00 74.41 H new ATOM 0 HG3 ARG A 41 -5.733 -15.768 9.826 1.00 74.41 H new ATOM 0 HD2 ARG A 41 -6.516 -13.092 8.580 1.00 61.14 H new ATOM 0 HD3 ARG A 41 -6.686 -13.472 10.282 1.00 61.14 H new ATOM 0 HE ARG A 41 -4.109 -13.166 8.793 1.00 4.41 H new ATOM 0 HH11 ARG A 41 -5.799 -13.489 11.924 1.00 41.24 H new ATOM 0 HH12 ARG A 41 -4.354 -13.082 12.856 1.00 41.24 H new ATOM 0 HH21 ARG A 41 -2.305 -12.648 10.022 1.00 30.31 H new ATOM 0 HH22 ARG A 41 -2.395 -12.610 11.786 1.00 30.31 H new ATOM 682 N LEU A 42 -4.996 -13.999 4.963 1.00 14.31 N ATOM 683 CA LEU A 42 -4.567 -12.951 4.021 1.00 71.32 C ATOM 684 C LEU A 42 -5.605 -12.688 2.896 1.00 54.43 C ATOM 685 O LEU A 42 -5.873 -11.532 2.566 1.00 42.21 O ATOM 686 CB LEU A 42 -3.204 -13.387 3.419 1.00 75.12 C ATOM 687 CG LEU A 42 -2.584 -12.483 2.284 1.00 40.14 C ATOM 688 CD1 LEU A 42 -1.054 -12.330 2.442 1.00 11.24 C ATOM 689 CD2 LEU A 42 -2.934 -13.041 0.882 1.00 71.12 C ATOM 0 H LEU A 42 -4.370 -14.804 4.977 1.00 14.31 H new ATOM 0 HA LEU A 42 -4.474 -12.009 4.562 1.00 71.32 H new ATOM 0 HB2 LEU A 42 -2.481 -13.447 4.233 1.00 75.12 H new ATOM 0 HB3 LEU A 42 -3.320 -14.395 3.020 1.00 75.12 H new ATOM 0 HG LEU A 42 -3.025 -11.491 2.383 1.00 40.14 H new ATOM 0 HD11 LEU A 42 -0.667 -11.701 1.641 1.00 11.24 H new ATOM 0 HD12 LEU A 42 -0.832 -11.870 3.405 1.00 11.24 H new ATOM 0 HD13 LEU A 42 -0.583 -13.312 2.392 1.00 11.24 H new ATOM 0 HD21 LEU A 42 -2.496 -12.401 0.116 1.00 71.12 H new ATOM 0 HD22 LEU A 42 -2.536 -14.051 0.783 1.00 71.12 H new ATOM 0 HD23 LEU A 42 -4.017 -13.064 0.760 1.00 71.12 H new ATOM 701 N GLU A 43 -6.141 -13.782 2.318 1.00 31.11 N ATOM 702 CA GLU A 43 -7.067 -13.774 1.150 1.00 60.25 C ATOM 703 C GLU A 43 -8.242 -12.809 1.345 1.00 44.03 C ATOM 704 O GLU A 43 -8.481 -11.928 0.509 1.00 15.31 O ATOM 705 CB GLU A 43 -7.599 -15.219 0.948 1.00 53.34 C ATOM 706 CG GLU A 43 -8.810 -15.408 0.001 1.00 1.11 C ATOM 707 CD GLU A 43 -9.640 -16.662 0.354 1.00 20.13 C ATOM 708 OE1 GLU A 43 -9.203 -17.790 0.057 1.00 44.14 O ATOM 709 OE2 GLU A 43 -10.724 -16.524 0.957 1.00 24.42 O ATOM 0 H GLU A 43 -5.941 -14.724 2.654 1.00 31.11 H new ATOM 0 HA GLU A 43 -6.519 -13.430 0.273 1.00 60.25 H new ATOM 0 HB2 GLU A 43 -6.779 -15.830 0.572 1.00 53.34 H new ATOM 0 HB3 GLU A 43 -7.871 -15.617 1.926 1.00 53.34 H new ATOM 0 HG2 GLU A 43 -9.449 -14.526 0.051 1.00 1.11 H new ATOM 0 HG3 GLU A 43 -8.456 -15.487 -1.027 1.00 1.11 H new ATOM 716 N GLU A 44 -8.947 -12.968 2.478 1.00 34.31 N ATOM 717 CA GLU A 44 -10.173 -12.222 2.760 1.00 75.40 C ATOM 718 C GLU A 44 -9.845 -10.761 3.084 1.00 31.11 C ATOM 719 O GLU A 44 -10.602 -9.864 2.722 1.00 60.20 O ATOM 720 CB GLU A 44 -10.966 -12.879 3.913 1.00 60.14 C ATOM 721 CG GLU A 44 -11.334 -14.356 3.671 1.00 20.35 C ATOM 722 CD GLU A 44 -12.326 -14.896 4.706 1.00 52.22 C ATOM 723 OE1 GLU A 44 -11.914 -15.173 5.849 1.00 75.43 O ATOM 724 OE2 GLU A 44 -13.530 -15.023 4.392 1.00 61.24 O ATOM 0 H GLU A 44 -8.679 -13.617 3.218 1.00 34.31 H new ATOM 0 HA GLU A 44 -10.801 -12.244 1.870 1.00 75.40 H new ATOM 0 HB2 GLU A 44 -10.378 -12.809 4.828 1.00 60.14 H new ATOM 0 HB3 GLU A 44 -11.882 -12.311 4.078 1.00 60.14 H new ATOM 0 HG2 GLU A 44 -11.762 -14.461 2.674 1.00 20.35 H new ATOM 0 HG3 GLU A 44 -10.427 -14.960 3.693 1.00 20.35 H new ATOM 731 N LYS A 45 -8.693 -10.545 3.750 1.00 71.02 N ATOM 732 CA LYS A 45 -8.152 -9.207 4.049 1.00 72.50 C ATOM 733 C LYS A 45 -7.930 -8.384 2.750 1.00 74.53 C ATOM 734 O LYS A 45 -8.342 -7.211 2.682 1.00 21.34 O ATOM 735 CB LYS A 45 -6.827 -9.373 4.841 1.00 4.25 C ATOM 736 CG LYS A 45 -6.015 -8.082 5.130 1.00 20.05 C ATOM 737 CD LYS A 45 -6.509 -7.225 6.321 1.00 34.34 C ATOM 738 CE LYS A 45 -7.774 -6.401 6.034 1.00 74.44 C ATOM 739 NZ LYS A 45 -8.029 -5.420 7.120 1.00 53.41 N ATOM 0 H LYS A 45 -8.107 -11.304 4.098 1.00 71.02 H new ATOM 0 HA LYS A 45 -8.871 -8.653 4.653 1.00 72.50 H new ATOM 0 HB2 LYS A 45 -7.059 -9.848 5.794 1.00 4.25 H new ATOM 0 HB3 LYS A 45 -6.186 -10.061 4.289 1.00 4.25 H new ATOM 0 HG2 LYS A 45 -4.978 -8.362 5.314 1.00 20.05 H new ATOM 0 HG3 LYS A 45 -6.023 -7.462 4.233 1.00 20.05 H new ATOM 0 HD2 LYS A 45 -6.704 -7.882 7.169 1.00 34.34 H new ATOM 0 HD3 LYS A 45 -5.710 -6.547 6.620 1.00 34.34 H new ATOM 0 HE2 LYS A 45 -7.663 -5.877 5.085 1.00 74.44 H new ATOM 0 HE3 LYS A 45 -8.631 -7.067 5.932 1.00 74.44 H new ATOM 0 HZ1 LYS A 45 -9.030 -5.463 7.399 1.00 53.41 H new ATOM 0 HZ2 LYS A 45 -7.431 -5.647 7.940 1.00 53.41 H new ATOM 0 HZ3 LYS A 45 -7.805 -4.462 6.782 1.00 53.41 H new ATOM 753 N ILE A 46 -7.305 -9.036 1.729 1.00 71.14 N ATOM 754 CA ILE A 46 -7.119 -8.463 0.374 1.00 73.30 C ATOM 755 C ILE A 46 -8.461 -7.925 -0.166 1.00 62.11 C ATOM 756 O ILE A 46 -8.557 -6.769 -0.579 1.00 61.32 O ATOM 757 CB ILE A 46 -6.508 -9.525 -0.653 1.00 62.52 C ATOM 758 CG1 ILE A 46 -5.006 -9.839 -0.317 1.00 51.24 C ATOM 759 CG2 ILE A 46 -6.667 -9.075 -2.135 1.00 43.41 C ATOM 760 CD1 ILE A 46 -4.262 -10.666 -1.367 1.00 3.55 C ATOM 0 H ILE A 46 -6.917 -9.974 1.828 1.00 71.14 H new ATOM 0 HA ILE A 46 -6.405 -7.645 0.466 1.00 73.30 H new ATOM 0 HB ILE A 46 -7.083 -10.443 -0.536 1.00 62.52 H new ATOM 0 HG12 ILE A 46 -4.477 -8.896 -0.179 1.00 51.24 H new ATOM 0 HG13 ILE A 46 -4.967 -10.369 0.634 1.00 51.24 H new ATOM 0 HG21 ILE A 46 -6.236 -9.830 -2.793 1.00 43.41 H new ATOM 0 HG22 ILE A 46 -7.725 -8.953 -2.367 1.00 43.41 H new ATOM 0 HG23 ILE A 46 -6.151 -8.127 -2.285 1.00 43.41 H new ATOM 0 HD11 ILE A 46 -3.234 -10.828 -1.041 1.00 3.55 H new ATOM 0 HD12 ILE A 46 -4.759 -11.628 -1.492 1.00 3.55 H new ATOM 0 HD13 ILE A 46 -4.262 -10.132 -2.317 1.00 3.55 H new ATOM 772 N GLN A 47 -9.500 -8.767 -0.061 1.00 11.34 N ATOM 773 CA GLN A 47 -10.819 -8.495 -0.641 1.00 73.12 C ATOM 774 C GLN A 47 -11.600 -7.435 0.161 1.00 62.34 C ATOM 775 O GLN A 47 -12.376 -6.674 -0.417 1.00 33.12 O ATOM 776 CB GLN A 47 -11.618 -9.819 -0.738 1.00 44.34 C ATOM 777 CG GLN A 47 -10.884 -10.927 -1.514 1.00 43.24 C ATOM 778 CD GLN A 47 -10.513 -10.542 -2.949 1.00 70.21 C ATOM 779 OE1 GLN A 47 -9.465 -10.946 -3.459 1.00 72.45 O ATOM 780 NE2 GLN A 47 -11.388 -9.828 -3.640 1.00 20.30 N ATOM 0 H GLN A 47 -9.446 -9.659 0.431 1.00 11.34 H new ATOM 0 HA GLN A 47 -10.675 -8.082 -1.640 1.00 73.12 H new ATOM 0 HB2 GLN A 47 -11.837 -10.176 0.268 1.00 44.34 H new ATOM 0 HB3 GLN A 47 -12.575 -9.621 -1.221 1.00 44.34 H new ATOM 0 HG2 GLN A 47 -9.976 -11.194 -0.974 1.00 43.24 H new ATOM 0 HG3 GLN A 47 -11.513 -11.817 -1.539 1.00 43.24 H new ATOM 0 HE21 GLN A 47 -12.248 -9.506 -3.196 1.00 20.30 H new ATOM 0 HE22 GLN A 47 -11.203 -9.600 -4.617 1.00 20.30 H new ATOM 789 N LYS A 48 -11.367 -7.383 1.487 1.00 34.53 N ATOM 790 CA LYS A 48 -12.000 -6.384 2.378 1.00 53.25 C ATOM 791 C LYS A 48 -11.502 -4.969 2.051 1.00 32.14 C ATOM 792 O LYS A 48 -12.260 -3.992 2.115 1.00 13.31 O ATOM 793 CB LYS A 48 -11.725 -6.728 3.876 1.00 34.31 C ATOM 794 CG LYS A 48 -12.539 -7.924 4.422 1.00 63.33 C ATOM 795 CD LYS A 48 -14.071 -7.696 4.351 1.00 71.04 C ATOM 796 CE LYS A 48 -14.531 -6.486 5.189 1.00 62.20 C ATOM 797 NZ LYS A 48 -15.958 -6.144 4.931 1.00 71.43 N ATOM 0 H LYS A 48 -10.740 -8.026 1.970 1.00 34.53 H new ATOM 0 HA LYS A 48 -13.077 -6.415 2.210 1.00 53.25 H new ATOM 0 HB2 LYS A 48 -10.663 -6.943 3.997 1.00 34.31 H new ATOM 0 HB3 LYS A 48 -11.944 -5.849 4.483 1.00 34.31 H new ATOM 0 HG2 LYS A 48 -12.284 -8.819 3.855 1.00 63.33 H new ATOM 0 HG3 LYS A 48 -12.252 -8.109 5.457 1.00 63.33 H new ATOM 0 HD2 LYS A 48 -14.364 -7.546 3.312 1.00 71.04 H new ATOM 0 HD3 LYS A 48 -14.584 -8.592 4.701 1.00 71.04 H new ATOM 0 HE2 LYS A 48 -14.396 -6.705 6.248 1.00 62.20 H new ATOM 0 HE3 LYS A 48 -13.904 -5.625 4.959 1.00 62.20 H new ATOM 0 HZ1 LYS A 48 -16.230 -5.326 5.513 1.00 71.43 H new ATOM 0 HZ2 LYS A 48 -16.083 -5.910 3.925 1.00 71.43 H new ATOM 0 HZ3 LYS A 48 -16.559 -6.957 5.175 1.00 71.43 H new ATOM 811 N LEU A 49 -10.216 -4.883 1.691 1.00 3.25 N ATOM 812 CA LEU A 49 -9.580 -3.628 1.289 1.00 23.24 C ATOM 813 C LEU A 49 -9.961 -3.242 -0.149 1.00 11.24 C ATOM 814 O LEU A 49 -10.260 -2.083 -0.418 1.00 13.32 O ATOM 815 CB LEU A 49 -8.055 -3.755 1.435 1.00 32.23 C ATOM 816 CG LEU A 49 -7.537 -3.995 2.878 1.00 4.13 C ATOM 817 CD1 LEU A 49 -6.020 -4.259 2.891 1.00 11.20 C ATOM 818 CD2 LEU A 49 -7.925 -2.821 3.794 1.00 32.31 C ATOM 0 H LEU A 49 -9.587 -5.686 1.671 1.00 3.25 H new ATOM 0 HA LEU A 49 -9.937 -2.832 1.943 1.00 23.24 H new ATOM 0 HB2 LEU A 49 -7.715 -4.577 0.805 1.00 32.23 H new ATOM 0 HB3 LEU A 49 -7.594 -2.846 1.049 1.00 32.23 H new ATOM 0 HG LEU A 49 -8.017 -4.892 3.270 1.00 4.13 H new ATOM 0 HD11 LEU A 49 -5.688 -4.423 3.916 1.00 11.20 H new ATOM 0 HD12 LEU A 49 -5.799 -5.143 2.292 1.00 11.20 H new ATOM 0 HD13 LEU A 49 -5.497 -3.398 2.474 1.00 11.20 H new ATOM 0 HD21 LEU A 49 -7.553 -3.007 4.802 1.00 32.31 H new ATOM 0 HD22 LEU A 49 -7.487 -1.900 3.410 1.00 32.31 H new ATOM 0 HD23 LEU A 49 -9.010 -2.723 3.820 1.00 32.31 H new ATOM 830 N LYS A 50 -9.965 -4.221 -1.074 1.00 54.32 N ATOM 831 CA LYS A 50 -10.326 -3.970 -2.488 1.00 73.25 C ATOM 832 C LYS A 50 -11.813 -3.579 -2.639 1.00 32.23 C ATOM 833 O LYS A 50 -12.177 -2.903 -3.600 1.00 41.43 O ATOM 834 CB LYS A 50 -9.961 -5.181 -3.391 1.00 21.52 C ATOM 835 CG LYS A 50 -8.437 -5.445 -3.479 1.00 3.33 C ATOM 836 CD LYS A 50 -8.038 -6.470 -4.563 1.00 1.32 C ATOM 837 CE LYS A 50 -8.384 -6.000 -5.985 1.00 1.24 C ATOM 838 NZ LYS A 50 -7.772 -6.878 -7.021 1.00 70.02 N ATOM 0 H LYS A 50 -9.724 -5.191 -0.871 1.00 54.32 H new ATOM 0 HA LYS A 50 -9.734 -3.119 -2.826 1.00 73.25 H new ATOM 0 HB2 LYS A 50 -10.455 -6.073 -3.007 1.00 21.52 H new ATOM 0 HB3 LYS A 50 -10.351 -5.007 -4.394 1.00 21.52 H new ATOM 0 HG2 LYS A 50 -7.927 -4.503 -3.679 1.00 3.33 H new ATOM 0 HG3 LYS A 50 -8.084 -5.800 -2.511 1.00 3.33 H new ATOM 0 HD2 LYS A 50 -6.967 -6.661 -4.499 1.00 1.32 H new ATOM 0 HD3 LYS A 50 -8.543 -7.416 -4.365 1.00 1.32 H new ATOM 0 HE2 LYS A 50 -9.467 -5.989 -6.111 1.00 1.24 H new ATOM 0 HE3 LYS A 50 -8.036 -4.976 -6.124 1.00 1.24 H new ATOM 0 HZ1 LYS A 50 -7.258 -6.294 -7.711 1.00 70.02 H new ATOM 0 HZ2 LYS A 50 -7.111 -7.541 -6.568 1.00 70.02 H new ATOM 0 HZ3 LYS A 50 -8.519 -7.413 -7.508 1.00 70.02 H new ATOM 852 N SER A 51 -12.651 -4.001 -1.670 1.00 55.31 N ATOM 853 CA SER A 51 -14.053 -3.538 -1.534 1.00 5.24 C ATOM 854 C SER A 51 -14.133 -1.998 -1.325 1.00 50.13 C ATOM 855 O SER A 51 -15.093 -1.351 -1.762 1.00 12.42 O ATOM 856 CB SER A 51 -14.732 -4.287 -0.360 1.00 60.52 C ATOM 857 OG SER A 51 -16.089 -3.909 -0.211 1.00 4.32 O ATOM 0 H SER A 51 -12.376 -4.675 -0.956 1.00 55.31 H new ATOM 0 HA SER A 51 -14.581 -3.763 -2.461 1.00 5.24 H new ATOM 0 HB2 SER A 51 -14.670 -5.362 -0.530 1.00 60.52 H new ATOM 0 HB3 SER A 51 -14.193 -4.079 0.564 1.00 60.52 H new ATOM 0 HG SER A 51 -16.486 -4.402 0.537 1.00 4.32 H new ATOM 863 N GLN A 52 -13.092 -1.434 -0.676 1.00 1.54 N ATOM 864 CA GLN A 52 -12.958 0.026 -0.440 1.00 22.24 C ATOM 865 C GLN A 52 -12.287 0.733 -1.649 1.00 44.00 C ATOM 866 O GLN A 52 -11.986 1.931 -1.588 1.00 5.43 O ATOM 867 CB GLN A 52 -12.143 0.279 0.856 1.00 24.05 C ATOM 868 CG GLN A 52 -12.695 -0.411 2.117 1.00 0.42 C ATOM 869 CD GLN A 52 -11.847 -0.123 3.358 1.00 3.23 C ATOM 870 OE1 GLN A 52 -12.083 0.843 4.074 1.00 72.25 O ATOM 871 NE2 GLN A 52 -10.852 -0.956 3.620 1.00 54.01 N ATOM 0 H GLN A 52 -12.316 -1.978 -0.298 1.00 1.54 H new ATOM 0 HA GLN A 52 -13.957 0.446 -0.322 1.00 22.24 H new ATOM 0 HB2 GLN A 52 -11.119 -0.058 0.695 1.00 24.05 H new ATOM 0 HB3 GLN A 52 -12.101 1.353 1.037 1.00 24.05 H new ATOM 0 HG2 GLN A 52 -13.717 -0.076 2.293 1.00 0.42 H new ATOM 0 HG3 GLN A 52 -12.736 -1.487 1.950 1.00 0.42 H new ATOM 0 HE21 GLN A 52 -10.679 -1.752 3.007 1.00 54.01 H new ATOM 0 HE22 GLN A 52 -10.259 -0.802 4.435 1.00 54.01 H new ATOM 880 N GLY A 53 -12.041 -0.033 -2.737 1.00 41.31 N ATOM 881 CA GLY A 53 -11.530 0.514 -4.003 1.00 75.11 C ATOM 882 C GLY A 53 -10.029 0.342 -4.194 1.00 14.31 C ATOM 883 O GLY A 53 -9.486 0.815 -5.194 1.00 34.42 O ATOM 0 H GLY A 53 -12.192 -1.042 -2.756 1.00 41.31 H new ATOM 0 HA2 GLY A 53 -12.048 0.030 -4.831 1.00 75.11 H new ATOM 0 HA3 GLY A 53 -11.772 1.576 -4.052 1.00 75.11 H new ATOM 887 N PHE A 54 -9.350 -0.325 -3.240 1.00 33.43 N ATOM 888 CA PHE A 54 -7.880 -0.528 -3.288 1.00 2.44 C ATOM 889 C PHE A 54 -7.488 -1.640 -4.277 1.00 14.31 C ATOM 890 O PHE A 54 -8.341 -2.404 -4.744 1.00 64.21 O ATOM 891 CB PHE A 54 -7.333 -0.878 -1.873 1.00 54.02 C ATOM 892 CG PHE A 54 -7.414 0.275 -0.873 1.00 22.54 C ATOM 893 CD1 PHE A 54 -6.437 1.268 -0.857 1.00 2.11 C ATOM 894 CD2 PHE A 54 -8.458 0.369 0.051 1.00 14.23 C ATOM 895 CE1 PHE A 54 -6.513 2.314 0.037 1.00 14.21 C ATOM 896 CE2 PHE A 54 -8.531 1.415 0.944 1.00 53.11 C ATOM 897 CZ PHE A 54 -7.556 2.381 0.940 1.00 42.24 C ATOM 0 H PHE A 54 -9.796 -0.736 -2.420 1.00 33.43 H new ATOM 0 HA PHE A 54 -7.437 0.407 -3.632 1.00 2.44 H new ATOM 0 HB2 PHE A 54 -7.891 -1.727 -1.479 1.00 54.02 H new ATOM 0 HB3 PHE A 54 -6.294 -1.194 -1.964 1.00 54.02 H new ATOM 0 HD1 PHE A 54 -5.612 1.218 -1.552 1.00 2.11 H new ATOM 0 HD2 PHE A 54 -9.223 -0.394 0.065 1.00 14.23 H new ATOM 0 HE1 PHE A 54 -5.755 3.083 0.032 1.00 14.21 H new ATOM 0 HE2 PHE A 54 -9.351 1.475 1.644 1.00 53.11 H new ATOM 0 HZ PHE A 54 -7.605 3.197 1.646 1.00 42.24 H new ATOM 907 N GLU A 55 -6.182 -1.710 -4.589 1.00 31.43 N ATOM 908 CA GLU A 55 -5.573 -2.863 -5.262 1.00 70.53 C ATOM 909 C GLU A 55 -4.536 -3.465 -4.311 1.00 3.32 C ATOM 910 O GLU A 55 -3.509 -2.851 -4.032 1.00 21.33 O ATOM 911 CB GLU A 55 -4.926 -2.460 -6.619 1.00 44.22 C ATOM 912 CG GLU A 55 -4.224 -3.623 -7.370 1.00 73.35 C ATOM 913 CD GLU A 55 -5.119 -4.871 -7.549 1.00 32.54 C ATOM 914 OE1 GLU A 55 -6.064 -4.831 -8.370 1.00 25.13 O ATOM 915 OE2 GLU A 55 -4.896 -5.889 -6.850 1.00 34.23 O ATOM 0 H GLU A 55 -5.519 -0.964 -4.379 1.00 31.43 H new ATOM 0 HA GLU A 55 -6.341 -3.600 -5.498 1.00 70.53 H new ATOM 0 HB2 GLU A 55 -5.698 -2.041 -7.265 1.00 44.22 H new ATOM 0 HB3 GLU A 55 -4.198 -1.669 -6.439 1.00 44.22 H new ATOM 0 HG2 GLU A 55 -3.905 -3.271 -8.351 1.00 73.35 H new ATOM 0 HG3 GLU A 55 -3.324 -3.906 -6.824 1.00 73.35 H new ATOM 922 N VAL A 56 -4.834 -4.663 -3.795 1.00 32.01 N ATOM 923 CA VAL A 56 -4.028 -5.318 -2.756 1.00 12.11 C ATOM 924 C VAL A 56 -3.340 -6.553 -3.344 1.00 5.45 C ATOM 925 O VAL A 56 -4.004 -7.413 -3.923 1.00 23.02 O ATOM 926 CB VAL A 56 -4.916 -5.720 -1.528 1.00 43.22 C ATOM 927 CG1 VAL A 56 -4.062 -6.252 -0.355 1.00 63.01 C ATOM 928 CG2 VAL A 56 -5.782 -4.532 -1.086 1.00 32.54 C ATOM 0 H VAL A 56 -5.645 -5.209 -4.087 1.00 32.01 H new ATOM 0 HA VAL A 56 -3.271 -4.616 -2.406 1.00 12.11 H new ATOM 0 HB VAL A 56 -5.573 -6.532 -1.840 1.00 43.22 H new ATOM 0 HG11 VAL A 56 -4.713 -6.520 0.477 1.00 63.01 H new ATOM 0 HG12 VAL A 56 -3.507 -7.132 -0.679 1.00 63.01 H new ATOM 0 HG13 VAL A 56 -3.363 -5.480 -0.034 1.00 63.01 H new ATOM 0 HG21 VAL A 56 -6.394 -4.825 -0.233 1.00 32.54 H new ATOM 0 HG22 VAL A 56 -5.139 -3.699 -0.803 1.00 32.54 H new ATOM 0 HG23 VAL A 56 -6.429 -4.228 -1.909 1.00 32.54 H new ATOM 938 N ARG A 57 -2.016 -6.628 -3.171 1.00 72.55 N ATOM 939 CA ARG A 57 -1.165 -7.659 -3.780 1.00 33.32 C ATOM 940 C ARG A 57 -0.453 -8.458 -2.685 1.00 61.33 C ATOM 941 O ARG A 57 -0.067 -7.905 -1.652 1.00 72.34 O ATOM 942 CB ARG A 57 -0.129 -6.988 -4.726 1.00 51.34 C ATOM 943 CG ARG A 57 -0.747 -6.301 -5.967 1.00 12.33 C ATOM 944 CD ARG A 57 -1.591 -7.269 -6.813 1.00 2.44 C ATOM 945 NE ARG A 57 -0.862 -8.520 -7.100 1.00 32.50 N ATOM 946 CZ ARG A 57 -1.402 -9.649 -7.579 1.00 53.12 C ATOM 947 NH1 ARG A 57 -2.702 -9.724 -7.849 1.00 74.40 N ATOM 948 NH2 ARG A 57 -0.633 -10.718 -7.749 1.00 63.53 N ATOM 0 H ARG A 57 -1.497 -5.965 -2.596 1.00 72.55 H new ATOM 0 HA ARG A 57 -1.782 -8.343 -4.363 1.00 33.32 H new ATOM 0 HB2 ARG A 57 0.436 -6.247 -4.160 1.00 51.34 H new ATOM 0 HB3 ARG A 57 0.582 -7.743 -5.060 1.00 51.34 H new ATOM 0 HG2 ARG A 57 -1.370 -5.467 -5.645 1.00 12.33 H new ATOM 0 HG3 ARG A 57 0.050 -5.884 -6.583 1.00 12.33 H new ATOM 0 HD2 ARG A 57 -2.517 -7.500 -6.287 1.00 2.44 H new ATOM 0 HD3 ARG A 57 -1.869 -6.786 -7.750 1.00 2.44 H new ATOM 0 HE ARG A 57 0.142 -8.526 -6.918 1.00 32.50 H new ATOM 0 HH11 ARG A 57 -3.303 -8.915 -7.692 1.00 74.40 H new ATOM 0 HH12 ARG A 57 -3.098 -10.591 -8.213 1.00 74.40 H new ATOM 0 HH21 ARG A 57 0.359 -10.675 -7.516 1.00 63.53 H new ATOM 0 HH22 ARG A 57 -1.034 -11.582 -8.113 1.00 63.53 H new ATOM 962 N LYS A 58 -0.271 -9.760 -2.942 1.00 3.32 N ATOM 963 CA LYS A 58 0.357 -10.691 -1.998 1.00 21.23 C ATOM 964 C LYS A 58 1.887 -10.578 -2.149 1.00 4.40 C ATOM 965 O LYS A 58 2.415 -10.784 -3.248 1.00 10.12 O ATOM 966 CB LYS A 58 -0.134 -12.147 -2.303 1.00 34.13 C ATOM 967 CG LYS A 58 -0.053 -13.159 -1.133 1.00 23.34 C ATOM 968 CD LYS A 58 1.372 -13.478 -0.633 1.00 64.32 C ATOM 969 CE LYS A 58 1.379 -14.502 0.515 1.00 54.42 C ATOM 970 NZ LYS A 58 0.717 -15.782 0.130 1.00 41.13 N ATOM 0 H LYS A 58 -0.558 -10.199 -3.817 1.00 3.32 H new ATOM 0 HA LYS A 58 0.082 -10.448 -0.972 1.00 21.23 H new ATOM 0 HB2 LYS A 58 -1.170 -12.095 -2.639 1.00 34.13 H new ATOM 0 HB3 LYS A 58 0.452 -12.538 -3.135 1.00 34.13 H new ATOM 0 HG2 LYS A 58 -0.635 -12.770 -0.297 1.00 23.34 H new ATOM 0 HG3 LYS A 58 -0.527 -14.089 -1.446 1.00 23.34 H new ATOM 0 HD2 LYS A 58 1.967 -13.862 -1.462 1.00 64.32 H new ATOM 0 HD3 LYS A 58 1.850 -12.558 -0.297 1.00 64.32 H new ATOM 0 HE2 LYS A 58 2.408 -14.702 0.815 1.00 54.42 H new ATOM 0 HE3 LYS A 58 0.871 -14.078 1.381 1.00 54.42 H new ATOM 0 HZ1 LYS A 58 0.848 -16.482 0.888 1.00 41.13 H new ATOM 0 HZ2 LYS A 58 -0.299 -15.617 -0.017 1.00 41.13 H new ATOM 0 HZ3 LYS A 58 1.140 -16.141 -0.750 1.00 41.13 H new ATOM 984 N VAL A 59 2.586 -10.269 -1.051 1.00 11.55 N ATOM 985 CA VAL A 59 4.063 -10.238 -1.014 1.00 21.21 C ATOM 986 C VAL A 59 4.578 -11.195 0.065 1.00 23.24 C ATOM 987 O VAL A 59 3.845 -11.538 1.008 1.00 42.42 O ATOM 988 CB VAL A 59 4.633 -8.791 -0.771 1.00 4.41 C ATOM 989 CG1 VAL A 59 4.353 -7.882 -1.992 1.00 3.34 C ATOM 990 CG2 VAL A 59 4.067 -8.187 0.535 1.00 21.41 C ATOM 0 H VAL A 59 2.149 -10.033 -0.160 1.00 11.55 H new ATOM 0 HA VAL A 59 4.417 -10.559 -1.994 1.00 21.21 H new ATOM 0 HB VAL A 59 5.714 -8.861 -0.654 1.00 4.41 H new ATOM 0 HG11 VAL A 59 4.755 -6.886 -1.804 1.00 3.34 H new ATOM 0 HG12 VAL A 59 4.829 -8.304 -2.877 1.00 3.34 H new ATOM 0 HG13 VAL A 59 3.278 -7.814 -2.156 1.00 3.34 H new ATOM 0 HG21 VAL A 59 4.476 -7.187 0.681 1.00 21.41 H new ATOM 0 HG22 VAL A 59 2.981 -8.129 0.468 1.00 21.41 H new ATOM 0 HG23 VAL A 59 4.345 -8.819 1.378 1.00 21.41 H new ATOM 1000 N LYS A 60 5.836 -11.627 -0.094 1.00 22.22 N ATOM 1001 CA LYS A 60 6.495 -12.543 0.848 1.00 14.45 C ATOM 1002 C LYS A 60 6.975 -11.760 2.082 1.00 64.20 C ATOM 1003 O LYS A 60 6.351 -11.830 3.154 1.00 13.44 O ATOM 1004 CB LYS A 60 7.675 -13.288 0.147 1.00 2.20 C ATOM 1005 CG LYS A 60 7.283 -14.047 -1.142 1.00 23.45 C ATOM 1006 CD LYS A 60 6.194 -15.123 -0.903 1.00 24.41 C ATOM 1007 CE LYS A 60 5.849 -15.902 -2.184 1.00 32.12 C ATOM 1008 NZ LYS A 60 7.008 -16.666 -2.718 1.00 35.41 N ATOM 0 H LYS A 60 6.426 -11.352 -0.879 1.00 22.22 H new ATOM 0 HA LYS A 60 5.782 -13.298 1.179 1.00 14.45 H new ATOM 0 HB2 LYS A 60 8.452 -12.563 -0.096 1.00 2.20 H new ATOM 0 HB3 LYS A 60 8.110 -13.997 0.852 1.00 2.20 H new ATOM 0 HG2 LYS A 60 6.924 -13.333 -1.883 1.00 23.45 H new ATOM 0 HG3 LYS A 60 8.170 -14.522 -1.561 1.00 23.45 H new ATOM 0 HD2 LYS A 60 6.537 -15.820 -0.138 1.00 24.41 H new ATOM 0 HD3 LYS A 60 5.293 -14.645 -0.518 1.00 24.41 H new ATOM 0 HE2 LYS A 60 5.029 -16.590 -1.977 1.00 32.12 H new ATOM 0 HE3 LYS A 60 5.496 -15.205 -2.945 1.00 32.12 H new ATOM 0 HZ1 LYS A 60 6.691 -17.277 -3.498 1.00 35.41 H new ATOM 0 HZ2 LYS A 60 7.729 -16.003 -3.068 1.00 35.41 H new ATOM 0 HZ3 LYS A 60 7.415 -17.253 -1.962 1.00 35.41 H new ATOM 1022 N ASP A 61 8.046 -10.978 1.898 1.00 31.51 N ATOM 1023 CA ASP A 61 8.640 -10.167 2.975 1.00 23.14 C ATOM 1024 C ASP A 61 9.383 -8.969 2.332 1.00 3.42 C ATOM 1025 O ASP A 61 9.164 -8.698 1.147 1.00 21.01 O ATOM 1026 CB ASP A 61 9.558 -11.060 3.877 1.00 61.30 C ATOM 1027 CG ASP A 61 9.618 -10.579 5.341 1.00 2.14 C ATOM 1028 OD1 ASP A 61 8.721 -10.940 6.140 1.00 61.54 O ATOM 1029 OD2 ASP A 61 10.538 -9.826 5.699 1.00 65.44 O ATOM 0 H ASP A 61 8.526 -10.888 1.002 1.00 31.51 H new ATOM 0 HA ASP A 61 7.872 -9.764 3.636 1.00 23.14 H new ATOM 0 HB2 ASP A 61 9.193 -12.087 3.853 1.00 61.30 H new ATOM 0 HB3 ASP A 61 10.566 -11.070 3.462 1.00 61.30 H new ATOM 1034 N ASP A 62 10.274 -8.280 3.089 1.00 23.32 N ATOM 1035 CA ASP A 62 10.881 -6.976 2.682 1.00 72.13 C ATOM 1036 C ASP A 62 11.705 -7.097 1.382 1.00 75.41 C ATOM 1037 O ASP A 62 11.799 -6.136 0.609 1.00 13.01 O ATOM 1038 CB ASP A 62 11.770 -6.407 3.833 1.00 44.52 C ATOM 1039 CG ASP A 62 13.085 -7.187 4.057 1.00 54.32 C ATOM 1040 OD1 ASP A 62 13.018 -8.382 4.417 1.00 64.50 O ATOM 1041 OD2 ASP A 62 14.185 -6.615 3.864 1.00 11.54 O ATOM 0 H ASP A 62 10.595 -8.608 4.000 1.00 23.32 H new ATOM 0 HA ASP A 62 10.061 -6.286 2.485 1.00 72.13 H new ATOM 0 HB2 ASP A 62 12.010 -5.367 3.612 1.00 44.52 H new ATOM 0 HB3 ASP A 62 11.195 -6.412 4.759 1.00 44.52 H new ATOM 1046 N ASP A 63 12.311 -8.282 1.189 1.00 22.35 N ATOM 1047 CA ASP A 63 13.020 -8.652 -0.053 1.00 65.05 C ATOM 1048 C ASP A 63 12.086 -8.508 -1.277 1.00 33.43 C ATOM 1049 O ASP A 63 12.407 -7.802 -2.233 1.00 13.51 O ATOM 1050 CB ASP A 63 13.588 -10.103 0.044 1.00 11.53 C ATOM 1051 CG ASP A 63 12.515 -11.170 0.355 1.00 71.41 C ATOM 1052 OD1 ASP A 63 12.116 -11.292 1.533 1.00 34.02 O ATOM 1053 OD2 ASP A 63 12.047 -11.870 -0.573 1.00 74.14 O ATOM 0 H ASP A 63 12.324 -9.017 1.896 1.00 22.35 H new ATOM 0 HA ASP A 63 13.860 -7.969 -0.183 1.00 65.05 H new ATOM 0 HB2 ASP A 63 14.077 -10.356 -0.897 1.00 11.53 H new ATOM 0 HB3 ASP A 63 14.353 -10.133 0.820 1.00 11.53 H new ATOM 1058 N ASP A 64 10.895 -9.131 -1.185 1.00 21.34 N ATOM 1059 CA ASP A 64 9.906 -9.177 -2.272 1.00 2.42 C ATOM 1060 C ASP A 64 9.213 -7.808 -2.434 1.00 43.32 C ATOM 1061 O ASP A 64 8.837 -7.424 -3.535 1.00 31.01 O ATOM 1062 CB ASP A 64 8.870 -10.289 -1.974 1.00 5.53 C ATOM 1063 CG ASP A 64 7.977 -10.628 -3.174 1.00 2.53 C ATOM 1064 OD1 ASP A 64 8.518 -11.060 -4.215 1.00 14.23 O ATOM 1065 OD2 ASP A 64 6.740 -10.497 -3.076 1.00 30.10 O ATOM 0 H ASP A 64 10.592 -9.621 -0.343 1.00 21.34 H new ATOM 0 HA ASP A 64 10.412 -9.405 -3.210 1.00 2.42 H new ATOM 0 HB2 ASP A 64 9.396 -11.189 -1.656 1.00 5.53 H new ATOM 0 HB3 ASP A 64 8.242 -9.976 -1.140 1.00 5.53 H new ATOM 1070 N ILE A 65 9.083 -7.088 -1.305 1.00 52.05 N ATOM 1071 CA ILE A 65 8.471 -5.743 -1.242 1.00 33.02 C ATOM 1072 C ILE A 65 9.303 -4.714 -2.025 1.00 53.04 C ATOM 1073 O ILE A 65 8.783 -4.044 -2.917 1.00 25.41 O ATOM 1074 CB ILE A 65 8.305 -5.276 0.255 1.00 3.03 C ATOM 1075 CG1 ILE A 65 7.213 -6.136 0.962 1.00 42.54 C ATOM 1076 CG2 ILE A 65 8.004 -3.754 0.377 1.00 34.21 C ATOM 1077 CD1 ILE A 65 7.105 -5.910 2.453 1.00 32.20 C ATOM 0 H ILE A 65 9.403 -7.426 -0.398 1.00 52.05 H new ATOM 0 HA ILE A 65 7.485 -5.808 -1.703 1.00 33.02 H new ATOM 0 HB ILE A 65 9.258 -5.434 0.760 1.00 3.03 H new ATOM 0 HG12 ILE A 65 6.247 -5.922 0.504 1.00 42.54 H new ATOM 0 HG13 ILE A 65 7.425 -7.190 0.781 1.00 42.54 H new ATOM 0 HG21 ILE A 65 7.899 -3.487 1.429 1.00 34.21 H new ATOM 0 HG22 ILE A 65 8.823 -3.185 -0.062 1.00 34.21 H new ATOM 0 HG23 ILE A 65 7.078 -3.523 -0.150 1.00 34.21 H new ATOM 0 HD11 ILE A 65 6.322 -6.548 2.862 1.00 32.20 H new ATOM 0 HD12 ILE A 65 8.056 -6.153 2.928 1.00 32.20 H new ATOM 0 HD13 ILE A 65 6.860 -4.866 2.646 1.00 32.20 H new ATOM 1089 N ASP A 66 10.597 -4.598 -1.684 1.00 35.53 N ATOM 1090 CA ASP A 66 11.494 -3.604 -2.298 1.00 63.21 C ATOM 1091 C ASP A 66 11.653 -3.860 -3.811 1.00 32.54 C ATOM 1092 O ASP A 66 11.699 -2.915 -4.600 1.00 53.52 O ATOM 1093 CB ASP A 66 12.868 -3.589 -1.579 1.00 1.00 C ATOM 1094 CG ASP A 66 13.798 -2.484 -2.111 1.00 54.33 C ATOM 1095 OD1 ASP A 66 13.476 -1.289 -1.923 1.00 32.31 O ATOM 1096 OD2 ASP A 66 14.837 -2.790 -2.725 1.00 24.12 O ATOM 0 H ASP A 66 11.048 -5.184 -0.982 1.00 35.53 H new ATOM 0 HA ASP A 66 11.043 -2.619 -2.179 1.00 63.21 H new ATOM 0 HB2 ASP A 66 12.714 -3.446 -0.510 1.00 1.00 H new ATOM 0 HB3 ASP A 66 13.351 -4.558 -1.705 1.00 1.00 H new ATOM 1101 N LYS A 67 11.668 -5.151 -4.197 1.00 61.05 N ATOM 1102 CA LYS A 67 11.706 -5.562 -5.615 1.00 2.40 C ATOM 1103 C LYS A 67 10.356 -5.279 -6.304 1.00 2.34 C ATOM 1104 O LYS A 67 10.320 -4.985 -7.505 1.00 54.22 O ATOM 1105 CB LYS A 67 12.055 -7.060 -5.763 1.00 31.43 C ATOM 1106 CG LYS A 67 13.447 -7.458 -5.226 1.00 73.02 C ATOM 1107 CD LYS A 67 13.789 -8.936 -5.530 1.00 35.44 C ATOM 1108 CE LYS A 67 12.741 -9.926 -4.981 1.00 35.22 C ATOM 1109 NZ LYS A 67 13.056 -11.330 -5.360 1.00 35.43 N ATOM 0 H LYS A 67 11.654 -5.932 -3.541 1.00 61.05 H new ATOM 0 HA LYS A 67 12.487 -4.975 -6.098 1.00 2.40 H new ATOM 0 HB2 LYS A 67 11.299 -7.648 -5.242 1.00 31.43 H new ATOM 0 HB3 LYS A 67 11.998 -7.329 -6.818 1.00 31.43 H new ATOM 0 HG2 LYS A 67 14.204 -6.813 -5.671 1.00 73.02 H new ATOM 0 HG3 LYS A 67 13.480 -7.293 -4.149 1.00 73.02 H new ATOM 0 HD2 LYS A 67 13.875 -9.068 -6.609 1.00 35.44 H new ATOM 0 HD3 LYS A 67 14.763 -9.173 -5.101 1.00 35.44 H new ATOM 0 HE2 LYS A 67 12.697 -9.844 -3.895 1.00 35.22 H new ATOM 0 HE3 LYS A 67 11.755 -9.659 -5.361 1.00 35.22 H new ATOM 0 HZ1 LYS A 67 12.329 -11.965 -4.973 1.00 35.43 H new ATOM 0 HZ2 LYS A 67 13.073 -11.414 -6.396 1.00 35.43 H new ATOM 0 HZ3 LYS A 67 13.986 -11.593 -4.976 1.00 35.43 H new ATOM 1123 N TRP A 68 9.253 -5.389 -5.528 1.00 12.02 N ATOM 1124 CA TRP A 68 7.884 -5.125 -6.018 1.00 30.12 C ATOM 1125 C TRP A 68 7.758 -3.652 -6.430 1.00 72.01 C ATOM 1126 O TRP A 68 7.169 -3.338 -7.450 1.00 63.12 O ATOM 1127 CB TRP A 68 6.816 -5.476 -4.931 1.00 52.54 C ATOM 1128 CG TRP A 68 5.400 -5.568 -5.457 1.00 41.11 C ATOM 1129 CD1 TRP A 68 4.747 -6.707 -5.820 1.00 51.24 C ATOM 1130 CD2 TRP A 68 4.476 -4.486 -5.689 1.00 43.41 C ATOM 1131 NE1 TRP A 68 3.492 -6.400 -6.279 1.00 35.31 N ATOM 1132 CE2 TRP A 68 3.302 -5.047 -6.210 1.00 31.34 C ATOM 1133 CE3 TRP A 68 4.536 -3.096 -5.516 1.00 75.32 C ATOM 1134 CZ2 TRP A 68 2.200 -4.273 -6.560 1.00 21.55 C ATOM 1135 CZ3 TRP A 68 3.438 -2.331 -5.854 1.00 62.14 C ATOM 1136 CH2 TRP A 68 2.284 -2.921 -6.373 1.00 42.30 C ATOM 0 H TRP A 68 9.289 -5.663 -4.546 1.00 12.02 H new ATOM 0 HA TRP A 68 7.700 -5.761 -6.884 1.00 30.12 H new ATOM 0 HB2 TRP A 68 7.083 -6.427 -4.470 1.00 52.54 H new ATOM 0 HB3 TRP A 68 6.851 -4.720 -4.146 1.00 52.54 H new ATOM 0 HD1 TRP A 68 5.157 -7.704 -5.756 1.00 51.24 H new ATOM 0 HE1 TRP A 68 2.807 -7.075 -6.619 1.00 35.31 H new ATOM 0 HE3 TRP A 68 5.428 -2.631 -5.124 1.00 75.32 H new ATOM 0 HZ2 TRP A 68 1.307 -4.725 -6.966 1.00 21.55 H new ATOM 0 HZ3 TRP A 68 3.472 -1.261 -5.715 1.00 62.14 H new ATOM 0 HH2 TRP A 68 1.441 -2.297 -6.632 1.00 42.30 H new ATOM 1147 N ILE A 69 8.330 -2.758 -5.619 1.00 40.03 N ATOM 1148 CA ILE A 69 8.332 -1.308 -5.895 1.00 3.01 C ATOM 1149 C ILE A 69 9.350 -0.986 -7.007 1.00 73.12 C ATOM 1150 O ILE A 69 9.116 -0.094 -7.842 1.00 13.42 O ATOM 1151 CB ILE A 69 8.623 -0.485 -4.570 1.00 65.44 C ATOM 1152 CG1 ILE A 69 7.315 -0.342 -3.714 1.00 64.31 C ATOM 1153 CG2 ILE A 69 9.273 0.901 -4.830 1.00 72.24 C ATOM 1154 CD1 ILE A 69 6.885 -1.597 -2.978 1.00 61.33 C ATOM 0 H ILE A 69 8.805 -3.012 -4.753 1.00 40.03 H new ATOM 0 HA ILE A 69 7.345 -1.009 -6.247 1.00 3.01 H new ATOM 0 HB ILE A 69 9.360 -1.058 -4.007 1.00 65.44 H new ATOM 0 HG12 ILE A 69 7.462 0.455 -2.985 1.00 64.31 H new ATOM 0 HG13 ILE A 69 6.503 -0.028 -4.370 1.00 64.31 H new ATOM 0 HG21 ILE A 69 9.443 1.407 -3.880 1.00 72.24 H new ATOM 0 HG22 ILE A 69 10.224 0.766 -5.345 1.00 72.24 H new ATOM 0 HG23 ILE A 69 8.608 1.504 -5.448 1.00 72.24 H new ATOM 0 HD11 ILE A 69 5.973 -1.395 -2.417 1.00 61.33 H new ATOM 0 HD12 ILE A 69 6.700 -2.395 -3.697 1.00 61.33 H new ATOM 0 HD13 ILE A 69 7.673 -1.904 -2.291 1.00 61.33 H new ATOM 1166 N ASP A 70 10.449 -1.765 -7.022 1.00 41.22 N ATOM 1167 CA ASP A 70 11.567 -1.582 -7.957 1.00 35.21 C ATOM 1168 C ASP A 70 11.117 -1.782 -9.414 1.00 44.32 C ATOM 1169 O ASP A 70 11.563 -1.050 -10.315 1.00 54.01 O ATOM 1170 CB ASP A 70 12.734 -2.536 -7.586 1.00 21.35 C ATOM 1171 CG ASP A 70 14.036 -2.218 -8.330 1.00 73.23 C ATOM 1172 OD1 ASP A 70 14.688 -1.208 -7.984 1.00 20.14 O ATOM 1173 OD2 ASP A 70 14.421 -2.974 -9.238 1.00 4.25 O ATOM 0 H ASP A 70 10.583 -2.545 -6.378 1.00 41.22 H new ATOM 0 HA ASP A 70 11.924 -0.555 -7.872 1.00 35.21 H new ATOM 0 HB2 ASP A 70 12.914 -2.479 -6.512 1.00 21.35 H new ATOM 0 HB3 ASP A 70 12.439 -3.562 -7.806 1.00 21.35 H new ATOM 1178 N LYS A 71 10.205 -2.758 -9.630 1.00 53.34 N ATOM 1179 CA LYS A 71 9.616 -2.993 -10.959 1.00 23.32 C ATOM 1180 C LYS A 71 8.614 -1.880 -11.326 1.00 31.11 C ATOM 1181 O LYS A 71 8.589 -1.473 -12.466 1.00 32.34 O ATOM 1182 CB LYS A 71 8.937 -4.393 -11.075 1.00 2.24 C ATOM 1183 CG LYS A 71 7.693 -4.591 -10.188 1.00 1.23 C ATOM 1184 CD LYS A 71 6.975 -5.945 -10.397 1.00 32.11 C ATOM 1185 CE LYS A 71 5.750 -6.107 -9.476 1.00 32.45 C ATOM 1186 NZ LYS A 71 5.080 -7.416 -9.688 1.00 23.14 N ATOM 0 H LYS A 71 9.866 -3.389 -8.904 1.00 53.34 H new ATOM 0 HA LYS A 71 10.442 -2.974 -11.670 1.00 23.32 H new ATOM 0 HB2 LYS A 71 8.653 -4.557 -12.114 1.00 2.24 H new ATOM 0 HB3 LYS A 71 9.671 -5.158 -10.821 1.00 2.24 H new ATOM 0 HG2 LYS A 71 7.989 -4.507 -9.142 1.00 1.23 H new ATOM 0 HG3 LYS A 71 6.987 -3.784 -10.385 1.00 1.23 H new ATOM 0 HD2 LYS A 71 6.658 -6.029 -11.437 1.00 32.11 H new ATOM 0 HD3 LYS A 71 7.677 -6.758 -10.211 1.00 32.11 H new ATOM 0 HE2 LYS A 71 6.062 -6.021 -8.435 1.00 32.45 H new ATOM 0 HE3 LYS A 71 5.042 -5.300 -9.665 1.00 32.45 H new ATOM 0 HZ1 LYS A 71 4.260 -7.493 -9.053 1.00 23.14 H new ATOM 0 HZ2 LYS A 71 4.761 -7.487 -10.675 1.00 23.14 H new ATOM 0 HZ3 LYS A 71 5.749 -8.186 -9.484 1.00 23.14 H new ATOM 1200 N ILE A 72 7.822 -1.373 -10.344 1.00 33.51 N ATOM 1201 CA ILE A 72 6.761 -0.354 -10.598 1.00 24.03 C ATOM 1202 C ILE A 72 7.366 0.967 -11.113 1.00 51.21 C ATOM 1203 O ILE A 72 6.808 1.604 -12.020 1.00 32.10 O ATOM 1204 CB ILE A 72 5.893 -0.082 -9.304 1.00 0.14 C ATOM 1205 CG1 ILE A 72 5.173 -1.381 -8.831 1.00 45.03 C ATOM 1206 CG2 ILE A 72 4.862 1.060 -9.518 1.00 2.02 C ATOM 1207 CD1 ILE A 72 4.078 -1.900 -9.752 1.00 22.23 C ATOM 0 H ILE A 72 7.897 -1.653 -9.366 1.00 33.51 H new ATOM 0 HA ILE A 72 6.108 -0.762 -11.369 1.00 24.03 H new ATOM 0 HB ILE A 72 6.583 0.241 -8.524 1.00 0.14 H new ATOM 0 HG12 ILE A 72 5.921 -2.165 -8.708 1.00 45.03 H new ATOM 0 HG13 ILE A 72 4.739 -1.197 -7.848 1.00 45.03 H new ATOM 0 HG21 ILE A 72 4.290 1.210 -8.602 1.00 2.02 H new ATOM 0 HG22 ILE A 72 5.387 1.981 -9.773 1.00 2.02 H new ATOM 0 HG23 ILE A 72 4.185 0.792 -10.329 1.00 2.02 H new ATOM 0 HD11 ILE A 72 3.645 -2.806 -9.328 1.00 22.23 H new ATOM 0 HD12 ILE A 72 3.302 -1.142 -9.858 1.00 22.23 H new ATOM 0 HD13 ILE A 72 4.502 -2.125 -10.731 1.00 22.23 H new ATOM 1219 N LYS A 73 8.521 1.347 -10.534 1.00 42.40 N ATOM 1220 CA LYS A 73 9.283 2.537 -10.954 1.00 44.53 C ATOM 1221 C LYS A 73 9.768 2.387 -12.410 1.00 30.13 C ATOM 1222 O LYS A 73 9.763 3.348 -13.181 1.00 51.41 O ATOM 1223 CB LYS A 73 10.493 2.766 -10.003 1.00 34.42 C ATOM 1224 CG LYS A 73 10.099 3.079 -8.538 1.00 42.33 C ATOM 1225 CD LYS A 73 11.312 3.236 -7.585 1.00 33.34 C ATOM 1226 CE LYS A 73 12.135 1.946 -7.451 1.00 74.40 C ATOM 1227 NZ LYS A 73 13.198 2.044 -6.413 1.00 61.41 N ATOM 0 H LYS A 73 8.951 0.837 -9.762 1.00 42.40 H new ATOM 0 HA LYS A 73 8.625 3.404 -10.899 1.00 44.53 H new ATOM 0 HB2 LYS A 73 11.124 1.877 -10.016 1.00 34.42 H new ATOM 0 HB3 LYS A 73 11.094 3.589 -10.390 1.00 34.42 H new ATOM 0 HG2 LYS A 73 9.511 3.997 -8.518 1.00 42.33 H new ATOM 0 HG3 LYS A 73 9.457 2.281 -8.166 1.00 42.33 H new ATOM 0 HD2 LYS A 73 11.955 4.036 -7.952 1.00 33.34 H new ATOM 0 HD3 LYS A 73 10.957 3.539 -6.600 1.00 33.34 H new ATOM 0 HE2 LYS A 73 11.469 1.119 -7.205 1.00 74.40 H new ATOM 0 HE3 LYS A 73 12.593 1.711 -8.412 1.00 74.40 H new ATOM 0 HZ1 LYS A 73 13.721 1.146 -6.366 1.00 61.41 H new ATOM 0 HZ2 LYS A 73 13.853 2.814 -6.658 1.00 61.41 H new ATOM 0 HZ3 LYS A 73 12.764 2.240 -5.489 1.00 61.41 H new ATOM 1241 N LYS A 74 10.148 1.151 -12.773 1.00 11.54 N ATOM 1242 CA LYS A 74 10.690 0.823 -14.096 1.00 20.22 C ATOM 1243 C LYS A 74 9.564 0.754 -15.154 1.00 65.54 C ATOM 1244 O LYS A 74 9.694 1.326 -16.246 1.00 71.33 O ATOM 1245 CB LYS A 74 11.480 -0.514 -14.010 1.00 62.43 C ATOM 1246 CG LYS A 74 12.073 -1.005 -15.353 1.00 2.51 C ATOM 1247 CD LYS A 74 13.025 -2.217 -15.196 1.00 54.13 C ATOM 1248 CE LYS A 74 14.282 -1.894 -14.361 1.00 21.55 C ATOM 1249 NZ LYS A 74 15.262 -3.020 -14.359 1.00 3.42 N ATOM 0 H LYS A 74 10.086 0.347 -12.149 1.00 11.54 H new ATOM 0 HA LYS A 74 11.373 1.611 -14.412 1.00 20.22 H new ATOM 0 HB2 LYS A 74 12.292 -0.395 -13.293 1.00 62.43 H new ATOM 0 HB3 LYS A 74 10.818 -1.286 -13.617 1.00 62.43 H new ATOM 0 HG2 LYS A 74 11.258 -1.276 -16.024 1.00 2.51 H new ATOM 0 HG3 LYS A 74 12.615 -0.185 -15.824 1.00 2.51 H new ATOM 0 HD2 LYS A 74 12.484 -3.038 -14.725 1.00 54.13 H new ATOM 0 HD3 LYS A 74 13.331 -2.562 -16.184 1.00 54.13 H new ATOM 0 HE2 LYS A 74 14.760 -0.999 -14.759 1.00 21.55 H new ATOM 0 HE3 LYS A 74 13.987 -1.669 -13.336 1.00 21.55 H new ATOM 0 HZ1 LYS A 74 16.090 -2.759 -13.786 1.00 3.42 H new ATOM 0 HZ2 LYS A 74 14.815 -3.868 -13.955 1.00 3.42 H new ATOM 0 HZ3 LYS A 74 15.564 -3.219 -15.334 1.00 3.42 H new ATOM 1263 N GLU A 75 8.451 0.089 -14.796 1.00 2.51 N ATOM 1264 CA GLU A 75 7.285 -0.109 -15.684 1.00 11.41 C ATOM 1265 C GLU A 75 6.635 1.240 -16.010 1.00 53.03 C ATOM 1266 O GLU A 75 6.341 1.550 -17.170 1.00 42.24 O ATOM 1267 CB GLU A 75 6.227 -1.034 -15.003 1.00 33.44 C ATOM 1268 CG GLU A 75 6.696 -2.480 -14.725 1.00 53.21 C ATOM 1269 CD GLU A 75 5.689 -3.291 -13.884 1.00 42.01 C ATOM 1270 OE1 GLU A 75 5.505 -2.967 -12.692 1.00 10.12 O ATOM 1271 OE2 GLU A 75 5.073 -4.251 -14.405 1.00 65.31 O ATOM 0 H GLU A 75 8.332 -0.331 -13.874 1.00 2.51 H new ATOM 0 HA GLU A 75 7.634 -0.580 -16.603 1.00 11.41 H new ATOM 0 HB2 GLU A 75 5.925 -0.580 -14.059 1.00 33.44 H new ATOM 0 HB3 GLU A 75 5.341 -1.072 -15.636 1.00 33.44 H new ATOM 0 HG2 GLU A 75 6.862 -2.990 -15.674 1.00 53.21 H new ATOM 0 HG3 GLU A 75 7.654 -2.452 -14.206 1.00 53.21 H new ATOM 1278 N ARG A 76 6.435 2.041 -14.951 1.00 23.12 N ATOM 1279 CA ARG A 76 5.648 3.278 -14.994 1.00 22.25 C ATOM 1280 C ARG A 76 6.496 4.466 -14.478 1.00 50.20 C ATOM 1281 O ARG A 76 6.525 4.738 -13.272 1.00 35.22 O ATOM 1282 CB ARG A 76 4.365 3.096 -14.140 1.00 70.42 C ATOM 1283 CG ARG A 76 3.496 1.881 -14.538 1.00 53.02 C ATOM 1284 CD ARG A 76 2.361 1.588 -13.537 1.00 44.33 C ATOM 1285 NE ARG A 76 1.615 0.372 -13.900 1.00 72.45 N ATOM 1286 CZ ARG A 76 2.041 -0.884 -13.696 1.00 24.25 C ATOM 1287 NH1 ARG A 76 3.230 -1.128 -13.140 1.00 41.13 N ATOM 1288 NH2 ARG A 76 1.276 -1.893 -14.080 1.00 74.34 N ATOM 0 H ARG A 76 6.822 1.842 -14.029 1.00 23.12 H new ATOM 0 HA ARG A 76 5.358 3.496 -16.022 1.00 22.25 H new ATOM 0 HB2 ARG A 76 4.652 2.994 -13.093 1.00 70.42 H new ATOM 0 HB3 ARG A 76 3.761 4.000 -14.218 1.00 70.42 H new ATOM 0 HG2 ARG A 76 3.065 2.059 -15.523 1.00 53.02 H new ATOM 0 HG3 ARG A 76 4.133 1.000 -14.623 1.00 53.02 H new ATOM 0 HD2 ARG A 76 2.779 1.474 -12.537 1.00 44.33 H new ATOM 0 HD3 ARG A 76 1.678 2.437 -13.502 1.00 44.33 H new ATOM 0 HE ARG A 76 0.703 0.494 -14.341 1.00 72.45 H new ATOM 0 HH11 ARG A 76 3.832 -0.353 -12.862 1.00 41.13 H new ATOM 0 HH12 ARG A 76 3.537 -2.090 -12.993 1.00 41.13 H new ATOM 0 HH21 ARG A 76 0.376 -1.710 -14.524 1.00 74.34 H new ATOM 0 HH22 ARG A 76 1.586 -2.853 -13.932 1.00 74.34 H new ATOM 1302 N PRO A 77 7.239 5.174 -15.386 1.00 65.33 N ATOM 1303 CA PRO A 77 8.014 6.391 -15.017 1.00 42.13 C ATOM 1304 C PRO A 77 7.124 7.643 -14.841 1.00 33.34 C ATOM 1305 O PRO A 77 7.600 8.688 -14.394 1.00 73.11 O ATOM 1306 CB PRO A 77 8.978 6.548 -16.216 1.00 41.31 C ATOM 1307 CG PRO A 77 8.219 5.989 -17.382 1.00 44.34 C ATOM 1308 CD PRO A 77 7.427 4.822 -16.824 1.00 61.54 C ATOM 0 HA PRO A 77 8.515 6.291 -14.054 1.00 42.13 H new ATOM 0 HB2 PRO A 77 9.243 7.593 -16.379 1.00 41.31 H new ATOM 0 HB3 PRO A 77 9.909 6.005 -16.051 1.00 41.31 H new ATOM 0 HG2 PRO A 77 7.559 6.739 -17.818 1.00 44.34 H new ATOM 0 HG3 PRO A 77 8.896 5.663 -18.172 1.00 44.34 H new ATOM 0 HD2 PRO A 77 6.472 4.706 -17.336 1.00 61.54 H new ATOM 0 HD3 PRO A 77 7.966 3.882 -16.938 1.00 61.54 H new ATOM 1316 N GLN A 78 5.831 7.528 -15.192 1.00 63.01 N ATOM 1317 CA GLN A 78 4.884 8.662 -15.163 1.00 22.43 C ATOM 1318 C GLN A 78 4.312 8.924 -13.761 1.00 72.31 C ATOM 1319 O GLN A 78 3.657 9.951 -13.557 1.00 12.43 O ATOM 1320 CB GLN A 78 3.744 8.445 -16.194 1.00 51.23 C ATOM 1321 CG GLN A 78 4.210 8.467 -17.664 1.00 72.24 C ATOM 1322 CD GLN A 78 4.877 9.783 -18.093 1.00 51.22 C ATOM 1323 OE1 GLN A 78 4.554 10.869 -17.598 1.00 5.43 O ATOM 1324 NE2 GLN A 78 5.804 9.691 -19.027 1.00 44.44 N ATOM 0 H GLN A 78 5.412 6.651 -15.503 1.00 63.01 H new ATOM 0 HA GLN A 78 5.447 9.553 -15.439 1.00 22.43 H new ATOM 0 HB2 GLN A 78 3.263 7.488 -15.991 1.00 51.23 H new ATOM 0 HB3 GLN A 78 2.989 9.218 -16.052 1.00 51.23 H new ATOM 0 HG2 GLN A 78 4.912 7.648 -17.823 1.00 72.24 H new ATOM 0 HG3 GLN A 78 3.351 8.281 -18.309 1.00 72.24 H new ATOM 0 HE21 GLN A 78 6.048 8.780 -19.415 1.00 44.44 H new ATOM 0 HE22 GLN A 78 6.277 10.531 -19.361 1.00 44.44 H new ATOM 1333 N LEU A 79 4.577 8.017 -12.804 1.00 42.01 N ATOM 1334 CA LEU A 79 4.086 8.143 -11.415 1.00 34.23 C ATOM 1335 C LEU A 79 5.238 8.084 -10.394 1.00 35.42 C ATOM 1336 O LEU A 79 6.343 7.622 -10.703 1.00 12.30 O ATOM 1337 CB LEU A 79 2.985 7.065 -11.126 1.00 3.41 C ATOM 1338 CG LEU A 79 3.255 5.593 -11.618 1.00 60.13 C ATOM 1339 CD1 LEU A 79 4.359 4.873 -10.821 1.00 44.23 C ATOM 1340 CD2 LEU A 79 1.960 4.755 -11.601 1.00 34.11 C ATOM 0 H LEU A 79 5.135 7.179 -12.968 1.00 42.01 H new ATOM 0 HA LEU A 79 3.628 9.126 -11.303 1.00 34.23 H new ATOM 0 HB2 LEU A 79 2.821 7.034 -10.049 1.00 3.41 H new ATOM 0 HB3 LEU A 79 2.055 7.405 -11.581 1.00 3.41 H new ATOM 0 HG LEU A 79 3.614 5.686 -12.643 1.00 60.13 H new ATOM 0 HD11 LEU A 79 4.492 3.865 -11.213 1.00 44.23 H new ATOM 0 HD12 LEU A 79 5.294 5.425 -10.914 1.00 44.23 H new ATOM 0 HD13 LEU A 79 4.073 4.819 -9.771 1.00 44.23 H new ATOM 0 HD21 LEU A 79 2.176 3.744 -11.945 1.00 34.11 H new ATOM 0 HD22 LEU A 79 1.565 4.716 -10.586 1.00 34.11 H new ATOM 0 HD23 LEU A 79 1.222 5.212 -12.260 1.00 34.11 H new ATOM 1352 N GLU A 80 4.956 8.588 -9.189 1.00 25.32 N ATOM 1353 CA GLU A 80 5.855 8.507 -8.033 1.00 13.14 C ATOM 1354 C GLU A 80 5.493 7.266 -7.224 1.00 35.13 C ATOM 1355 O GLU A 80 4.319 6.980 -7.063 1.00 35.22 O ATOM 1356 CB GLU A 80 5.699 9.782 -7.169 1.00 33.10 C ATOM 1357 CG GLU A 80 6.220 11.071 -7.829 1.00 71.10 C ATOM 1358 CD GLU A 80 7.721 11.005 -8.137 1.00 62.13 C ATOM 1359 OE1 GLU A 80 8.525 10.965 -7.178 1.00 53.12 O ATOM 1360 OE2 GLU A 80 8.105 10.974 -9.328 1.00 74.13 O ATOM 0 H GLU A 80 4.082 9.072 -8.986 1.00 25.32 H new ATOM 0 HA GLU A 80 6.892 8.436 -8.361 1.00 13.14 H new ATOM 0 HB2 GLU A 80 4.644 9.914 -6.927 1.00 33.10 H new ATOM 0 HB3 GLU A 80 6.226 9.633 -6.227 1.00 33.10 H new ATOM 0 HG2 GLU A 80 5.670 11.251 -8.753 1.00 71.10 H new ATOM 0 HG3 GLU A 80 6.024 11.918 -7.171 1.00 71.10 H new ATOM 1367 N VAL A 81 6.499 6.536 -6.726 1.00 62.24 N ATOM 1368 CA VAL A 81 6.284 5.298 -5.949 1.00 54.30 C ATOM 1369 C VAL A 81 6.901 5.453 -4.556 1.00 2.12 C ATOM 1370 O VAL A 81 8.109 5.675 -4.430 1.00 53.33 O ATOM 1371 CB VAL A 81 6.907 4.036 -6.666 1.00 72.43 C ATOM 1372 CG1 VAL A 81 6.450 2.731 -5.979 1.00 22.13 C ATOM 1373 CG2 VAL A 81 6.575 4.018 -8.173 1.00 1.31 C ATOM 0 H VAL A 81 7.482 6.781 -6.847 1.00 62.24 H new ATOM 0 HA VAL A 81 5.209 5.138 -5.869 1.00 54.30 H new ATOM 0 HB VAL A 81 7.991 4.105 -6.573 1.00 72.43 H new ATOM 0 HG11 VAL A 81 6.892 1.876 -6.491 1.00 22.13 H new ATOM 0 HG12 VAL A 81 6.771 2.736 -4.937 1.00 22.13 H new ATOM 0 HG13 VAL A 81 5.363 2.658 -6.023 1.00 22.13 H new ATOM 0 HG21 VAL A 81 7.020 3.136 -8.633 1.00 1.31 H new ATOM 0 HG22 VAL A 81 5.494 3.991 -8.307 1.00 1.31 H new ATOM 0 HG23 VAL A 81 6.977 4.915 -8.645 1.00 1.31 H new ATOM 1383 N ARG A 82 6.059 5.351 -3.521 1.00 2.42 N ATOM 1384 CA ARG A 82 6.479 5.459 -2.114 1.00 53.12 C ATOM 1385 C ARG A 82 6.326 4.091 -1.413 1.00 72.20 C ATOM 1386 O ARG A 82 5.290 3.443 -1.566 1.00 4.40 O ATOM 1387 CB ARG A 82 5.596 6.515 -1.402 1.00 40.25 C ATOM 1388 CG ARG A 82 5.981 6.790 0.067 1.00 72.33 C ATOM 1389 CD ARG A 82 7.296 7.567 0.205 1.00 4.13 C ATOM 1390 NE ARG A 82 7.166 8.972 -0.240 1.00 55.22 N ATOM 1391 CZ ARG A 82 8.040 9.954 0.048 1.00 24.15 C ATOM 1392 NH1 ARG A 82 9.125 9.709 0.780 1.00 23.02 N ATOM 1393 NH2 ARG A 82 7.811 11.185 -0.391 1.00 62.41 N ATOM 0 H ARG A 82 5.058 5.190 -3.635 1.00 2.42 H new ATOM 0 HA ARG A 82 7.525 5.763 -2.068 1.00 53.12 H new ATOM 0 HB2 ARG A 82 5.651 7.450 -1.959 1.00 40.25 H new ATOM 0 HB3 ARG A 82 4.558 6.184 -1.436 1.00 40.25 H new ATOM 0 HG2 ARG A 82 5.181 7.352 0.548 1.00 72.33 H new ATOM 0 HG3 ARG A 82 6.068 5.842 0.598 1.00 72.33 H new ATOM 0 HD2 ARG A 82 7.621 7.546 1.245 1.00 4.13 H new ATOM 0 HD3 ARG A 82 8.071 7.073 -0.381 1.00 4.13 H new ATOM 0 HE ARG A 82 6.354 9.214 -0.807 1.00 55.22 H new ATOM 0 HH11 ARG A 82 9.302 8.767 1.130 1.00 23.02 H new ATOM 0 HH12 ARG A 82 9.779 10.463 0.991 1.00 23.02 H new ATOM 0 HH21 ARG A 82 6.976 11.383 -0.943 1.00 62.41 H new ATOM 0 HH22 ARG A 82 8.469 11.934 -0.176 1.00 62.41 H new ATOM 1407 N LYS A 83 7.357 3.665 -0.645 1.00 61.45 N ATOM 1408 CA LYS A 83 7.259 2.483 0.235 1.00 71.44 C ATOM 1409 C LYS A 83 6.864 2.948 1.641 1.00 3.30 C ATOM 1410 O LYS A 83 7.632 3.656 2.302 1.00 11.14 O ATOM 1411 CB LYS A 83 8.590 1.688 0.331 1.00 42.43 C ATOM 1412 CG LYS A 83 9.140 1.143 -1.011 1.00 4.14 C ATOM 1413 CD LYS A 83 9.855 -0.225 -0.870 1.00 72.55 C ATOM 1414 CE LYS A 83 11.017 -0.202 0.132 1.00 52.23 C ATOM 1415 NZ LYS A 83 12.124 0.677 -0.325 1.00 62.51 N ATOM 0 H LYS A 83 8.267 4.126 -0.620 1.00 61.45 H new ATOM 0 HA LYS A 83 6.511 1.818 -0.196 1.00 71.44 H new ATOM 0 HB2 LYS A 83 9.346 2.333 0.779 1.00 42.43 H new ATOM 0 HB3 LYS A 83 8.443 0.849 1.011 1.00 42.43 H new ATOM 0 HG2 LYS A 83 8.318 1.044 -1.719 1.00 4.14 H new ATOM 0 HG3 LYS A 83 9.837 1.868 -1.431 1.00 4.14 H new ATOM 0 HD2 LYS A 83 9.129 -0.976 -0.557 1.00 72.55 H new ATOM 0 HD3 LYS A 83 10.232 -0.533 -1.846 1.00 72.55 H new ATOM 0 HE2 LYS A 83 10.655 0.144 1.100 1.00 52.23 H new ATOM 0 HE3 LYS A 83 11.393 -1.215 0.275 1.00 52.23 H new ATOM 0 HZ1 LYS A 83 12.737 0.911 0.482 1.00 62.51 H new ATOM 0 HZ2 LYS A 83 12.681 0.184 -1.052 1.00 62.51 H new ATOM 0 HZ3 LYS A 83 11.730 1.552 -0.725 1.00 62.51 H new ATOM 1429 N VAL A 84 5.665 2.575 2.069 1.00 53.11 N ATOM 1430 CA VAL A 84 5.146 2.893 3.402 1.00 63.21 C ATOM 1431 C VAL A 84 5.064 1.603 4.226 1.00 2.10 C ATOM 1432 O VAL A 84 4.079 0.881 4.163 1.00 34.43 O ATOM 1433 CB VAL A 84 3.730 3.570 3.278 1.00 54.34 C ATOM 1434 CG1 VAL A 84 3.080 3.819 4.653 1.00 42.40 C ATOM 1435 CG2 VAL A 84 3.815 4.870 2.451 1.00 24.20 C ATOM 0 H VAL A 84 5.014 2.037 1.497 1.00 53.11 H new ATOM 0 HA VAL A 84 5.813 3.593 3.904 1.00 63.21 H new ATOM 0 HB VAL A 84 3.082 2.872 2.749 1.00 54.34 H new ATOM 0 HG11 VAL A 84 2.105 4.287 4.515 1.00 42.40 H new ATOM 0 HG12 VAL A 84 2.956 2.870 5.174 1.00 42.40 H new ATOM 0 HG13 VAL A 84 3.718 4.476 5.243 1.00 42.40 H new ATOM 0 HG21 VAL A 84 2.825 5.320 2.378 1.00 24.20 H new ATOM 0 HG22 VAL A 84 4.496 5.567 2.938 1.00 24.20 H new ATOM 0 HG23 VAL A 84 4.184 4.642 1.451 1.00 24.20 H new ATOM 1445 N THR A 85 6.129 1.294 4.970 1.00 74.12 N ATOM 1446 CA THR A 85 6.157 0.111 5.846 1.00 35.24 C ATOM 1447 C THR A 85 5.584 0.448 7.238 1.00 12.02 C ATOM 1448 O THR A 85 5.134 -0.437 7.965 1.00 64.14 O ATOM 1449 CB THR A 85 7.607 -0.454 5.974 1.00 34.13 C ATOM 1450 OG1 THR A 85 8.496 0.581 6.421 1.00 44.44 O ATOM 1451 CG2 THR A 85 8.127 -1.026 4.636 1.00 64.20 C ATOM 0 H THR A 85 6.987 1.845 4.986 1.00 74.12 H new ATOM 0 HA THR A 85 5.531 -0.657 5.393 1.00 35.24 H new ATOM 0 HB THR A 85 7.576 -1.267 6.700 1.00 34.13 H new ATOM 0 HG1 THR A 85 8.017 1.436 6.446 1.00 44.44 H new ATOM 0 HG21 THR A 85 9.139 -1.408 4.772 1.00 64.20 H new ATOM 0 HG22 THR A 85 7.475 -1.836 4.308 1.00 64.20 H new ATOM 0 HG23 THR A 85 8.135 -0.239 3.882 1.00 64.20 H new ATOM 1459 N ASP A 86 5.597 1.743 7.577 1.00 31.41 N ATOM 1460 CA ASP A 86 5.147 2.255 8.888 1.00 53.31 C ATOM 1461 C ASP A 86 3.899 3.130 8.732 1.00 13.44 C ATOM 1462 O ASP A 86 3.737 3.810 7.717 1.00 53.31 O ATOM 1463 CB ASP A 86 6.273 3.092 9.554 1.00 71.14 C ATOM 1464 CG ASP A 86 7.552 2.278 9.802 1.00 63.11 C ATOM 1465 OD1 ASP A 86 8.411 2.219 8.897 1.00 33.11 O ATOM 1466 OD2 ASP A 86 7.701 1.682 10.893 1.00 11.23 O ATOM 0 H ASP A 86 5.922 2.476 6.947 1.00 31.41 H new ATOM 0 HA ASP A 86 4.906 1.398 9.517 1.00 53.31 H new ATOM 0 HB2 ASP A 86 6.509 3.946 8.919 1.00 71.14 H new ATOM 0 HB3 ASP A 86 5.911 3.490 10.502 1.00 71.14 H new ATOM 1471 N GLU A 87 3.040 3.096 9.763 1.00 51.44 N ATOM 1472 CA GLU A 87 1.927 4.046 9.949 1.00 3.31 C ATOM 1473 C GLU A 87 2.428 5.501 9.860 1.00 54.40 C ATOM 1474 O GLU A 87 1.789 6.340 9.224 1.00 22.01 O ATOM 1475 CB GLU A 87 1.283 3.807 11.339 1.00 62.12 C ATOM 1476 CG GLU A 87 0.137 4.786 11.711 1.00 53.01 C ATOM 1477 CD GLU A 87 0.006 4.995 13.226 1.00 44.22 C ATOM 1478 OE1 GLU A 87 0.841 5.733 13.795 1.00 14.41 O ATOM 1479 OE2 GLU A 87 -0.899 4.422 13.861 1.00 72.43 O ATOM 0 H GLU A 87 3.099 2.397 10.504 1.00 51.44 H new ATOM 0 HA GLU A 87 1.192 3.885 9.160 1.00 3.31 H new ATOM 0 HB2 GLU A 87 0.895 2.789 11.372 1.00 62.12 H new ATOM 0 HB3 GLU A 87 2.061 3.877 12.099 1.00 62.12 H new ATOM 0 HG2 GLU A 87 0.315 5.748 11.230 1.00 53.01 H new ATOM 0 HG3 GLU A 87 -0.805 4.403 11.318 1.00 53.01 H new ATOM 1486 N ASP A 88 3.601 5.756 10.491 1.00 40.31 N ATOM 1487 CA ASP A 88 4.266 7.079 10.516 1.00 62.30 C ATOM 1488 C ASP A 88 4.535 7.620 9.096 1.00 42.15 C ATOM 1489 O ASP A 88 4.355 8.816 8.836 1.00 3.02 O ATOM 1490 CB ASP A 88 5.597 6.994 11.312 1.00 61.13 C ATOM 1491 CG ASP A 88 6.366 8.331 11.328 1.00 0.13 C ATOM 1492 OD1 ASP A 88 5.957 9.247 12.076 1.00 34.30 O ATOM 1493 OD2 ASP A 88 7.369 8.479 10.588 1.00 10.54 O ATOM 0 H ASP A 88 4.116 5.039 11.002 1.00 40.31 H new ATOM 0 HA ASP A 88 3.588 7.775 11.010 1.00 62.30 H new ATOM 0 HB2 ASP A 88 5.384 6.689 12.337 1.00 61.13 H new ATOM 0 HB3 ASP A 88 6.229 6.221 10.874 1.00 61.13 H new ATOM 1498 N GLN A 89 4.953 6.720 8.190 1.00 33.31 N ATOM 1499 CA GLN A 89 5.225 7.069 6.784 1.00 74.15 C ATOM 1500 C GLN A 89 3.921 7.412 6.034 1.00 13.05 C ATOM 1501 O GLN A 89 3.915 8.301 5.181 1.00 43.02 O ATOM 1502 CB GLN A 89 5.992 5.925 6.073 1.00 5.20 C ATOM 1503 CG GLN A 89 7.396 5.658 6.647 1.00 73.42 C ATOM 1504 CD GLN A 89 8.188 4.626 5.840 1.00 22.23 C ATOM 1505 OE1 GLN A 89 8.117 3.361 6.229 1.00 71.24 O flip ATOM 1506 NE2 GLN A 89 8.880 4.973 4.883 1.00 20.25 N flip ATOM 0 H GLN A 89 5.111 5.736 8.409 1.00 33.31 H new ATOM 0 HA GLN A 89 5.856 7.957 6.773 1.00 74.15 H new ATOM 0 HB2 GLN A 89 5.403 5.010 6.141 1.00 5.20 H new ATOM 0 HB3 GLN A 89 6.084 6.167 5.014 1.00 5.20 H new ATOM 0 HG2 GLN A 89 7.954 6.594 6.676 1.00 73.42 H new ATOM 0 HG3 GLN A 89 7.301 5.311 7.676 1.00 73.42 H new ATOM 0 HE21 GLN A 89 8.914 5.955 4.608 1.00 20.25 H new ATOM 0 HE22 GLN A 89 9.419 4.279 4.365 1.00 20.25 H new ATOM 1515 N ALA A 90 2.822 6.707 6.388 1.00 55.23 N ATOM 1516 CA ALA A 90 1.470 6.991 5.854 1.00 24.15 C ATOM 1517 C ALA A 90 0.940 8.350 6.352 1.00 73.42 C ATOM 1518 O ALA A 90 0.197 9.031 5.639 1.00 3.45 O ATOM 1519 CB ALA A 90 0.499 5.859 6.220 1.00 42.32 C ATOM 0 H ALA A 90 2.847 5.930 7.048 1.00 55.23 H new ATOM 0 HA ALA A 90 1.545 7.047 4.768 1.00 24.15 H new ATOM 0 HB1 ALA A 90 -0.490 6.084 5.820 1.00 42.32 H new ATOM 0 HB2 ALA A 90 0.857 4.921 5.796 1.00 42.32 H new ATOM 0 HB3 ALA A 90 0.439 5.767 7.304 1.00 42.32 H new ATOM 1525 N LYS A 91 1.353 8.736 7.571 1.00 74.04 N ATOM 1526 CA LYS A 91 1.018 10.041 8.174 1.00 43.35 C ATOM 1527 C LYS A 91 1.842 11.167 7.528 1.00 13.40 C ATOM 1528 O LYS A 91 1.366 12.299 7.387 1.00 15.03 O ATOM 1529 CB LYS A 91 1.288 10.009 9.703 1.00 12.45 C ATOM 1530 CG LYS A 91 0.417 8.998 10.478 1.00 24.44 C ATOM 1531 CD LYS A 91 0.783 8.892 11.977 1.00 20.33 C ATOM 1532 CE LYS A 91 0.593 10.211 12.743 1.00 52.24 C ATOM 1533 NZ LYS A 91 0.896 10.052 14.194 1.00 31.14 N ATOM 0 H LYS A 91 1.932 8.149 8.171 1.00 74.04 H new ATOM 0 HA LYS A 91 -0.040 10.236 7.998 1.00 43.35 H new ATOM 0 HB2 LYS A 91 2.338 9.770 9.870 1.00 12.45 H new ATOM 0 HB3 LYS A 91 1.119 11.005 10.111 1.00 12.45 H new ATOM 0 HG2 LYS A 91 -0.630 9.287 10.387 1.00 24.44 H new ATOM 0 HG3 LYS A 91 0.517 8.015 10.017 1.00 24.44 H new ATOM 0 HD2 LYS A 91 0.170 8.119 12.440 1.00 20.33 H new ATOM 0 HD3 LYS A 91 1.821 8.573 12.069 1.00 20.33 H new ATOM 0 HE2 LYS A 91 1.242 10.976 12.317 1.00 52.24 H new ATOM 0 HE3 LYS A 91 -0.433 10.559 12.621 1.00 52.24 H new ATOM 0 HZ1 LYS A 91 0.757 10.961 14.679 1.00 31.14 H new ATOM 0 HZ2 LYS A 91 0.260 9.339 14.605 1.00 31.14 H new ATOM 0 HZ3 LYS A 91 1.883 9.744 14.311 1.00 31.14 H new ATOM 1547 N GLN A 92 3.087 10.834 7.143 1.00 40.20 N ATOM 1548 CA GLN A 92 4.049 11.806 6.604 1.00 32.42 C ATOM 1549 C GLN A 92 3.690 12.187 5.151 1.00 62.45 C ATOM 1550 O GLN A 92 3.787 13.357 4.764 1.00 14.42 O ATOM 1551 CB GLN A 92 5.488 11.220 6.695 1.00 71.52 C ATOM 1552 CG GLN A 92 6.623 12.184 6.289 1.00 64.03 C ATOM 1553 CD GLN A 92 6.579 13.528 7.029 1.00 34.15 C ATOM 1554 OE1 GLN A 92 7.112 13.662 8.130 1.00 71.21 O ATOM 1555 NE2 GLN A 92 5.966 14.537 6.424 1.00 45.42 N ATOM 0 H GLN A 92 3.452 9.883 7.198 1.00 40.20 H new ATOM 0 HA GLN A 92 4.006 12.718 7.199 1.00 32.42 H new ATOM 0 HB2 GLN A 92 5.663 10.890 7.719 1.00 71.52 H new ATOM 0 HB3 GLN A 92 5.542 10.335 6.061 1.00 71.52 H new ATOM 0 HG2 GLN A 92 7.583 11.704 6.481 1.00 64.03 H new ATOM 0 HG3 GLN A 92 6.567 12.367 5.216 1.00 64.03 H new ATOM 0 HE21 GLN A 92 5.533 14.397 5.511 1.00 45.42 H new ATOM 0 HE22 GLN A 92 5.928 15.453 6.872 1.00 45.42 H new ATOM 1564 N ILE A 93 3.297 11.188 4.349 1.00 24.44 N ATOM 1565 CA ILE A 93 2.866 11.417 2.955 1.00 44.22 C ATOM 1566 C ILE A 93 1.515 12.156 2.846 1.00 5.40 C ATOM 1567 O ILE A 93 1.239 12.762 1.809 1.00 34.21 O ATOM 1568 CB ILE A 93 2.824 10.101 2.120 1.00 55.43 C ATOM 1569 CG1 ILE A 93 1.810 9.111 2.744 1.00 33.01 C ATOM 1570 CG2 ILE A 93 4.240 9.487 2.004 1.00 10.21 C ATOM 1571 CD1 ILE A 93 1.747 7.767 2.071 1.00 53.33 C ATOM 0 H ILE A 93 3.267 10.210 4.639 1.00 24.44 H new ATOM 0 HA ILE A 93 3.630 12.069 2.532 1.00 44.22 H new ATOM 0 HB ILE A 93 2.488 10.326 1.108 1.00 55.43 H new ATOM 0 HG12 ILE A 93 2.065 8.965 3.794 1.00 33.01 H new ATOM 0 HG13 ILE A 93 0.818 9.563 2.717 1.00 33.01 H new ATOM 0 HG21 ILE A 93 4.192 8.569 1.418 1.00 10.21 H new ATOM 0 HG22 ILE A 93 4.905 10.197 1.512 1.00 10.21 H new ATOM 0 HG23 ILE A 93 4.622 9.262 3.000 1.00 10.21 H new ATOM 0 HD11 ILE A 93 1.011 7.141 2.576 1.00 53.33 H new ATOM 0 HD12 ILE A 93 1.459 7.896 1.028 1.00 53.33 H new ATOM 0 HD13 ILE A 93 2.725 7.289 2.121 1.00 53.33 H new ATOM 1583 N LEU A 94 0.679 12.095 3.908 1.00 34.25 N ATOM 1584 CA LEU A 94 -0.505 12.986 4.046 1.00 62.34 C ATOM 1585 C LEU A 94 -0.104 14.478 3.868 1.00 71.33 C ATOM 1586 O LEU A 94 -0.924 15.290 3.460 1.00 2.54 O ATOM 1587 CB LEU A 94 -1.219 12.778 5.415 1.00 40.11 C ATOM 1588 CG LEU A 94 -1.971 11.426 5.617 1.00 10.01 C ATOM 1589 CD1 LEU A 94 -2.504 11.299 7.061 1.00 62.35 C ATOM 1590 CD2 LEU A 94 -3.114 11.260 4.588 1.00 32.44 C ATOM 0 H LEU A 94 0.799 11.441 4.682 1.00 34.25 H new ATOM 0 HA LEU A 94 -1.206 12.718 3.255 1.00 62.34 H new ATOM 0 HB2 LEU A 94 -0.474 12.874 6.205 1.00 40.11 H new ATOM 0 HB3 LEU A 94 -1.935 13.589 5.552 1.00 40.11 H new ATOM 0 HG LEU A 94 -1.255 10.621 5.450 1.00 10.01 H new ATOM 0 HD11 LEU A 94 -3.024 10.348 7.175 1.00 62.35 H new ATOM 0 HD12 LEU A 94 -1.670 11.343 7.762 1.00 62.35 H new ATOM 0 HD13 LEU A 94 -3.195 12.117 7.267 1.00 62.35 H new ATOM 0 HD21 LEU A 94 -3.619 10.308 4.755 1.00 32.44 H new ATOM 0 HD22 LEU A 94 -3.829 12.075 4.703 1.00 32.44 H new ATOM 0 HD23 LEU A 94 -2.701 11.280 3.579 1.00 32.44 H new ATOM 1602 N GLU A 95 1.163 14.808 4.203 1.00 42.53 N ATOM 1603 CA GLU A 95 1.784 16.115 3.897 1.00 44.20 C ATOM 1604 C GLU A 95 2.377 16.128 2.468 1.00 35.25 C ATOM 1605 O GLU A 95 2.071 17.014 1.685 1.00 52.42 O ATOM 1606 CB GLU A 95 2.889 16.435 4.948 1.00 22.31 C ATOM 1607 CG GLU A 95 2.378 16.499 6.405 1.00 62.32 C ATOM 1608 CD GLU A 95 1.450 17.701 6.686 1.00 4.12 C ATOM 1609 OE1 GLU A 95 0.254 17.647 6.326 1.00 64.42 O ATOM 1610 OE2 GLU A 95 1.912 18.707 7.273 1.00 32.10 O ATOM 0 H GLU A 95 1.787 14.170 4.697 1.00 42.53 H new ATOM 0 HA GLU A 95 1.013 16.883 3.945 1.00 44.20 H new ATOM 0 HB2 GLU A 95 3.669 15.676 4.881 1.00 22.31 H new ATOM 0 HB3 GLU A 95 3.350 17.389 4.694 1.00 22.31 H new ATOM 0 HG2 GLU A 95 1.843 15.577 6.634 1.00 62.32 H new ATOM 0 HG3 GLU A 95 3.233 16.547 7.079 1.00 62.32 H new ATOM 1617 N ASP A 96 3.234 15.121 2.172 1.00 34.44 N ATOM 1618 CA ASP A 96 4.007 14.991 0.885 1.00 1.21 C ATOM 1619 C ASP A 96 3.157 15.266 -0.393 1.00 65.04 C ATOM 1620 O ASP A 96 3.610 15.973 -1.310 1.00 52.11 O ATOM 1621 CB ASP A 96 4.640 13.576 0.800 1.00 54.33 C ATOM 1622 CG ASP A 96 5.433 13.293 -0.492 1.00 30.11 C ATOM 1623 OD1 ASP A 96 6.423 14.003 -0.758 1.00 41.41 O ATOM 1624 OD2 ASP A 96 5.091 12.336 -1.234 1.00 40.53 O ATOM 0 H ASP A 96 3.420 14.358 2.822 1.00 34.44 H new ATOM 0 HA ASP A 96 4.778 15.761 0.909 1.00 1.21 H new ATOM 0 HB2 ASP A 96 5.304 13.440 1.653 1.00 54.33 H new ATOM 0 HB3 ASP A 96 3.847 12.834 0.892 1.00 54.33 H new ATOM 1629 N LEU A 97 1.929 14.704 -0.419 1.00 30.10 N ATOM 1630 CA LEU A 97 0.943 14.905 -1.515 1.00 14.20 C ATOM 1631 C LEU A 97 0.566 16.401 -1.673 1.00 1.23 C ATOM 1632 O LEU A 97 0.447 16.907 -2.789 1.00 22.20 O ATOM 1633 CB LEU A 97 -0.343 14.049 -1.246 1.00 53.43 C ATOM 1634 CG LEU A 97 -0.320 12.550 -1.717 1.00 51.43 C ATOM 1635 CD1 LEU A 97 0.880 11.764 -1.162 1.00 62.02 C ATOM 1636 CD2 LEU A 97 -1.639 11.847 -1.341 1.00 5.21 C ATOM 0 H LEU A 97 1.587 14.093 0.323 1.00 30.10 H new ATOM 0 HA LEU A 97 1.406 14.577 -2.446 1.00 14.20 H new ATOM 0 HB2 LEU A 97 -0.540 14.063 -0.174 1.00 53.43 H new ATOM 0 HB3 LEU A 97 -1.185 14.543 -1.731 1.00 53.43 H new ATOM 0 HG LEU A 97 -0.212 12.566 -2.801 1.00 51.43 H new ATOM 0 HD11 LEU A 97 0.840 10.736 -1.523 1.00 62.02 H new ATOM 0 HD12 LEU A 97 1.807 12.230 -1.497 1.00 62.02 H new ATOM 0 HD13 LEU A 97 0.845 11.768 -0.073 1.00 62.02 H new ATOM 0 HD21 LEU A 97 -1.606 10.810 -1.674 1.00 5.21 H new ATOM 0 HD22 LEU A 97 -1.772 11.876 -0.259 1.00 5.21 H new ATOM 0 HD23 LEU A 97 -2.473 12.357 -1.823 1.00 5.21 H new ATOM 1648 N LYS A 98 0.423 17.076 -0.525 1.00 32.04 N ATOM 1649 CA LYS A 98 -0.011 18.490 -0.445 1.00 12.43 C ATOM 1650 C LYS A 98 1.150 19.425 -0.836 1.00 71.23 C ATOM 1651 O LYS A 98 0.966 20.398 -1.569 1.00 51.13 O ATOM 1652 CB LYS A 98 -0.495 18.846 0.998 1.00 31.41 C ATOM 1653 CG LYS A 98 -1.384 17.782 1.673 1.00 22.11 C ATOM 1654 CD LYS A 98 -2.702 17.478 0.923 1.00 1.21 C ATOM 1655 CE LYS A 98 -3.541 16.395 1.624 1.00 2.34 C ATOM 1656 NZ LYS A 98 -3.907 16.784 3.010 1.00 54.15 N ATOM 0 H LYS A 98 0.605 16.658 0.387 1.00 32.04 H new ATOM 0 HA LYS A 98 -0.841 18.625 -1.138 1.00 12.43 H new ATOM 0 HB2 LYS A 98 0.380 19.017 1.626 1.00 31.41 H new ATOM 0 HB3 LYS A 98 -1.047 19.785 0.958 1.00 31.41 H new ATOM 0 HG2 LYS A 98 -0.814 16.858 1.769 1.00 22.11 H new ATOM 0 HG3 LYS A 98 -1.624 18.115 2.683 1.00 22.11 H new ATOM 0 HD2 LYS A 98 -3.289 18.393 0.842 1.00 1.21 H new ATOM 0 HD3 LYS A 98 -2.473 17.155 -0.092 1.00 1.21 H new ATOM 0 HE2 LYS A 98 -4.448 16.210 1.048 1.00 2.34 H new ATOM 0 HE3 LYS A 98 -2.981 15.460 1.646 1.00 2.34 H new ATOM 0 HZ1 LYS A 98 -4.594 16.103 3.392 1.00 54.15 H new ATOM 0 HZ2 LYS A 98 -3.055 16.787 3.606 1.00 54.15 H new ATOM 0 HZ3 LYS A 98 -4.329 17.735 3.004 1.00 54.15 H new ATOM 1670 N LYS A 99 2.353 19.071 -0.341 1.00 5.31 N ATOM 1671 CA LYS A 99 3.572 19.894 -0.457 1.00 20.45 C ATOM 1672 C LYS A 99 4.076 20.020 -1.903 1.00 1.55 C ATOM 1673 O LYS A 99 4.878 20.924 -2.185 1.00 12.04 O ATOM 1674 CB LYS A 99 4.715 19.292 0.424 1.00 43.31 C ATOM 1675 CG LYS A 99 4.421 19.130 1.941 1.00 73.22 C ATOM 1676 CD LYS A 99 4.192 20.459 2.715 1.00 43.13 C ATOM 1677 CE LYS A 99 2.746 20.984 2.650 1.00 13.24 C ATOM 1678 NZ LYS A 99 2.565 22.233 3.439 1.00 53.33 N ATOM 0 H LYS A 99 2.506 18.194 0.157 1.00 5.31 H new ATOM 0 HA LYS A 99 3.302 20.892 -0.110 1.00 20.45 H new ATOM 0 HB2 LYS A 99 4.973 18.312 0.022 1.00 43.31 H new ATOM 0 HB3 LYS A 99 5.596 19.924 0.315 1.00 43.31 H new ATOM 0 HG2 LYS A 99 3.538 18.502 2.059 1.00 73.22 H new ATOM 0 HG3 LYS A 99 5.254 18.598 2.402 1.00 73.22 H new ATOM 0 HD2 LYS A 99 4.466 20.310 3.759 1.00 43.13 H new ATOM 0 HD3 LYS A 99 4.862 21.220 2.315 1.00 43.13 H new ATOM 0 HE2 LYS A 99 2.475 21.170 1.611 1.00 13.24 H new ATOM 0 HE3 LYS A 99 2.066 20.218 3.024 1.00 13.24 H new ATOM 0 HZ1 LYS A 99 1.577 22.550 3.366 1.00 53.33 H new ATOM 0 HZ2 LYS A 99 2.797 22.050 4.436 1.00 53.33 H new ATOM 0 HZ3 LYS A 99 3.194 22.973 3.067 1.00 53.33 H new ATOM 1692 N LYS A 100 3.607 19.107 -2.795 1.00 1.21 N ATOM 1693 CA LYS A 100 4.236 18.871 -4.108 1.00 32.31 C ATOM 1694 C LYS A 100 5.698 18.455 -3.815 1.00 13.10 C ATOM 1695 O LYS A 100 6.662 19.069 -4.285 1.00 23.01 O ATOM 1696 CB LYS A 100 4.117 20.144 -5.015 1.00 15.53 C ATOM 1697 CG LYS A 100 4.543 19.980 -6.492 1.00 34.32 C ATOM 1698 CD LYS A 100 3.603 19.055 -7.300 1.00 73.10 C ATOM 1699 CE LYS A 100 3.982 18.989 -8.790 1.00 52.23 C ATOM 1700 NZ LYS A 100 3.093 18.061 -9.541 1.00 73.44 N ATOM 0 H LYS A 100 2.790 18.523 -2.620 1.00 1.21 H new ATOM 0 HA LYS A 100 3.739 18.081 -4.671 1.00 32.31 H new ATOM 0 HB2 LYS A 100 3.081 20.482 -4.994 1.00 15.53 H new ATOM 0 HB3 LYS A 100 4.720 20.936 -4.572 1.00 15.53 H new ATOM 0 HG2 LYS A 100 4.571 20.961 -6.966 1.00 34.32 H new ATOM 0 HG3 LYS A 100 5.556 19.579 -6.529 1.00 34.32 H new ATOM 0 HD2 LYS A 100 3.633 18.051 -6.876 1.00 73.10 H new ATOM 0 HD3 LYS A 100 2.577 19.411 -7.204 1.00 73.10 H new ATOM 0 HE2 LYS A 100 3.920 19.986 -9.226 1.00 52.23 H new ATOM 0 HE3 LYS A 100 5.017 18.662 -8.889 1.00 52.23 H new ATOM 0 HZ1 LYS A 100 3.377 18.041 -10.541 1.00 73.44 H new ATOM 0 HZ2 LYS A 100 3.171 17.105 -9.140 1.00 73.44 H new ATOM 0 HZ3 LYS A 100 2.108 18.388 -9.467 1.00 73.44 H new ATOM 1714 N GLY A 101 5.808 17.425 -2.957 1.00 61.12 N ATOM 1715 CA GLY A 101 7.036 17.094 -2.254 1.00 33.03 C ATOM 1716 C GLY A 101 8.183 16.646 -3.148 1.00 64.33 C ATOM 1717 O GLY A 101 7.999 15.834 -4.054 1.00 73.13 O ATOM 0 H GLY A 101 5.032 16.800 -2.738 1.00 61.12 H new ATOM 0 HA2 GLY A 101 7.358 17.965 -1.684 1.00 33.03 H new ATOM 0 HA3 GLY A 101 6.824 16.303 -1.535 1.00 33.03 H new ATOM 1721 N SER A 102 9.374 17.185 -2.868 1.00 72.35 N ATOM 1722 CA SER A 102 10.631 16.804 -3.533 1.00 23.23 C ATOM 1723 C SER A 102 11.467 15.905 -2.595 1.00 20.33 C ATOM 1724 O SER A 102 12.703 15.892 -2.660 1.00 12.51 O ATOM 1725 CB SER A 102 11.395 18.092 -3.926 1.00 2.03 C ATOM 1726 OG SER A 102 10.598 18.911 -4.772 1.00 3.32 O ATOM 0 H SER A 102 9.497 17.911 -2.162 1.00 72.35 H new ATOM 0 HA SER A 102 10.428 16.232 -4.438 1.00 23.23 H new ATOM 0 HB2 SER A 102 11.669 18.646 -3.028 1.00 2.03 H new ATOM 0 HB3 SER A 102 12.323 17.830 -4.435 1.00 2.03 H new ATOM 0 HG SER A 102 11.097 19.721 -5.008 1.00 3.32 H new ATOM 1732 N LEU A 103 10.762 15.138 -1.735 1.00 15.21 N ATOM 1733 CA LEU A 103 11.381 14.151 -0.835 1.00 55.32 C ATOM 1734 C LEU A 103 11.942 12.988 -1.664 1.00 73.21 C ATOM 1735 O LEU A 103 13.027 12.478 -1.387 1.00 43.55 O ATOM 1736 CB LEU A 103 10.364 13.635 0.227 1.00 34.43 C ATOM 1737 CG LEU A 103 9.901 14.660 1.322 1.00 62.24 C ATOM 1738 CD1 LEU A 103 11.109 15.321 2.026 1.00 70.30 C ATOM 1739 CD2 LEU A 103 8.919 15.714 0.763 1.00 65.25 C ATOM 0 H LEU A 103 9.747 15.189 -1.648 1.00 15.21 H new ATOM 0 HA LEU A 103 12.195 14.633 -0.294 1.00 55.32 H new ATOM 0 HB2 LEU A 103 9.479 13.275 -0.297 1.00 34.43 H new ATOM 0 HB3 LEU A 103 10.806 12.776 0.731 1.00 34.43 H new ATOM 0 HG LEU A 103 9.353 14.092 2.074 1.00 62.24 H new ATOM 0 HD11 LEU A 103 10.752 16.025 2.778 1.00 70.30 H new ATOM 0 HD12 LEU A 103 11.715 14.553 2.507 1.00 70.30 H new ATOM 0 HD13 LEU A 103 11.713 15.852 1.290 1.00 70.30 H new ATOM 0 HD21 LEU A 103 8.629 16.399 1.559 1.00 65.25 H new ATOM 0 HD22 LEU A 103 9.402 16.273 -0.038 1.00 65.25 H new ATOM 0 HD23 LEU A 103 8.032 15.214 0.373 1.00 65.25 H new ATOM 1751 N GLU A 104 11.163 12.587 -2.681 1.00 13.21 N ATOM 1752 CA GLU A 104 11.601 11.666 -3.733 1.00 43.10 C ATOM 1753 C GLU A 104 12.153 12.498 -4.895 1.00 13.11 C ATOM 1754 O GLU A 104 11.414 12.906 -5.797 1.00 64.42 O ATOM 1755 CB GLU A 104 10.426 10.765 -4.195 1.00 1.14 C ATOM 1756 CG GLU A 104 9.824 9.879 -3.085 1.00 12.14 C ATOM 1757 CD GLU A 104 10.809 8.846 -2.528 1.00 43.50 C ATOM 1758 OE1 GLU A 104 11.031 7.809 -3.190 1.00 70.33 O ATOM 1759 OE2 GLU A 104 11.362 9.058 -1.421 1.00 14.41 O ATOM 0 H GLU A 104 10.199 12.900 -2.794 1.00 13.21 H new ATOM 0 HA GLU A 104 12.380 11.005 -3.354 1.00 43.10 H new ATOM 0 HB2 GLU A 104 9.639 11.398 -4.604 1.00 1.14 H new ATOM 0 HB3 GLU A 104 10.773 10.124 -5.006 1.00 1.14 H new ATOM 0 HG2 GLU A 104 9.478 10.515 -2.271 1.00 12.14 H new ATOM 0 HG3 GLU A 104 8.950 9.361 -3.479 1.00 12.14 H new ATOM 1766 N HIS A 105 13.439 12.816 -4.799 1.00 0.44 N ATOM 1767 CA HIS A 105 14.175 13.596 -5.805 1.00 2.31 C ATOM 1768 C HIS A 105 15.623 13.080 -5.814 1.00 1.03 C ATOM 1769 O HIS A 105 16.581 13.842 -5.973 1.00 43.35 O ATOM 1770 CB HIS A 105 14.070 15.113 -5.450 1.00 25.40 C ATOM 1771 CG HIS A 105 14.540 16.085 -6.513 1.00 5.43 C ATOM 1772 ND1 HIS A 105 13.705 16.597 -7.482 1.00 54.31 N ATOM 1773 CD2 HIS A 105 15.750 16.663 -6.732 1.00 72.11 C ATOM 1774 CE1 HIS A 105 14.377 17.442 -8.237 1.00 61.54 C ATOM 1775 NE2 HIS A 105 15.618 17.498 -7.809 1.00 74.03 N ATOM 0 H HIS A 105 14.017 12.536 -4.006 1.00 0.44 H new ATOM 0 HA HIS A 105 13.761 13.479 -6.807 1.00 2.31 H new ATOM 0 HB2 HIS A 105 13.030 15.338 -5.216 1.00 25.40 H new ATOM 0 HB3 HIS A 105 14.647 15.293 -4.543 1.00 25.40 H new ATOM 0 HD2 HIS A 105 16.651 16.495 -6.161 1.00 72.11 H new ATOM 0 HE1 HIS A 105 13.974 17.998 -9.071 1.00 61.54 H new ATOM 0 HE2 HIS A 105 16.360 18.069 -8.212 1.00 74.03 H new ATOM 1784 N HIS A 106 15.767 11.741 -5.648 1.00 64.44 N ATOM 1785 CA HIS A 106 17.077 11.070 -5.647 1.00 11.02 C ATOM 1786 C HIS A 106 17.614 10.944 -7.096 1.00 73.22 C ATOM 1787 O HIS A 106 17.556 9.897 -7.734 1.00 53.30 O ATOM 1788 CB HIS A 106 17.044 9.712 -4.870 1.00 15.30 C ATOM 1789 CG HIS A 106 15.947 8.742 -5.254 1.00 74.30 C ATOM 1790 ND1 HIS A 106 14.809 8.561 -4.494 1.00 32.52 N ATOM 1791 CD2 HIS A 106 15.836 7.875 -6.287 1.00 4.24 C ATOM 1792 CE1 HIS A 106 14.052 7.636 -5.042 1.00 70.12 C ATOM 1793 NE2 HIS A 106 14.654 7.202 -6.127 1.00 61.31 N ATOM 0 H HIS A 106 14.980 11.106 -5.513 1.00 64.44 H new ATOM 0 HA HIS A 106 17.786 11.689 -5.096 1.00 11.02 H new ATOM 0 HB2 HIS A 106 18.004 9.215 -5.010 1.00 15.30 H new ATOM 0 HB3 HIS A 106 16.950 9.930 -3.806 1.00 15.30 H new ATOM 0 HD2 HIS A 106 16.547 7.739 -7.088 1.00 4.24 H new ATOM 0 HE1 HIS A 106 13.100 7.292 -4.666 1.00 70.12 H new ATOM 0 HE2 HIS A 106 14.297 6.478 -6.751 1.00 61.31 H new ATOM 1802 N HIS A 107 18.063 12.092 -7.613 1.00 20.15 N ATOM 1803 CA HIS A 107 18.597 12.262 -8.973 1.00 22.14 C ATOM 1804 C HIS A 107 19.770 13.253 -8.897 1.00 21.03 C ATOM 1805 O HIS A 107 20.034 13.805 -7.816 1.00 22.03 O ATOM 1806 CB HIS A 107 17.504 12.807 -9.941 1.00 64.24 C ATOM 1807 CG HIS A 107 16.307 11.909 -10.131 1.00 31.21 C ATOM 1808 ND1 HIS A 107 16.244 10.932 -11.099 1.00 44.21 N ATOM 1809 CD2 HIS A 107 15.129 11.844 -9.461 1.00 33.42 C ATOM 1810 CE1 HIS A 107 15.088 10.308 -11.017 1.00 33.12 C ATOM 1811 NE2 HIS A 107 14.395 10.841 -10.035 1.00 5.52 N ATOM 0 H HIS A 107 18.066 12.961 -7.079 1.00 20.15 H new ATOM 0 HA HIS A 107 18.928 11.298 -9.360 1.00 22.14 H new ATOM 0 HB2 HIS A 107 17.159 13.771 -9.567 1.00 64.24 H new ATOM 0 HB3 HIS A 107 17.961 12.987 -10.914 1.00 64.24 H new ATOM 0 HD2 HIS A 107 14.827 12.466 -8.631 1.00 33.42 H new ATOM 0 HE1 HIS A 107 14.763 9.495 -11.650 1.00 33.12 H new ATOM 0 HE2 HIS A 107 13.460 10.553 -9.747 1.00 5.52 H new ATOM 1820 N HIS A 108 20.478 13.450 -10.031 1.00 42.12 N ATOM 1821 CA HIS A 108 21.554 14.473 -10.167 1.00 50.02 C ATOM 1822 C HIS A 108 22.730 14.170 -9.197 1.00 21.34 C ATOM 1823 O HIS A 108 23.407 15.074 -8.693 1.00 33.12 O ATOM 1824 CB HIS A 108 20.933 15.892 -9.949 1.00 4.53 C ATOM 1825 CG HIS A 108 21.835 17.067 -10.212 1.00 32.13 C ATOM 1826 ND1 HIS A 108 22.428 17.792 -9.200 1.00 22.23 N ATOM 1827 CD2 HIS A 108 22.224 17.657 -11.368 1.00 75.22 C ATOM 1828 CE1 HIS A 108 23.129 18.774 -9.719 1.00 15.01 C ATOM 1829 NE2 HIS A 108 23.027 18.713 -11.030 1.00 25.51 N ATOM 0 H HIS A 108 20.324 12.908 -10.881 1.00 42.12 H new ATOM 0 HA HIS A 108 21.979 14.442 -11.170 1.00 50.02 H new ATOM 0 HB2 HIS A 108 20.057 15.984 -10.592 1.00 4.53 H new ATOM 0 HB3 HIS A 108 20.581 15.956 -8.919 1.00 4.53 H new ATOM 0 HD2 HIS A 108 21.952 17.352 -12.368 1.00 75.22 H new ATOM 0 HE1 HIS A 108 23.694 19.508 -9.164 1.00 15.01 H new ATOM 0 HE2 HIS A 108 23.475 19.350 -11.689 1.00 25.51 H new ATOM 1838 N HIS A 109 22.977 12.866 -8.966 1.00 53.14 N ATOM 1839 CA HIS A 109 24.049 12.390 -8.071 1.00 71.33 C ATOM 1840 C HIS A 109 24.432 10.943 -8.429 1.00 44.43 C ATOM 1841 O HIS A 109 23.815 10.321 -9.304 1.00 34.32 O ATOM 1842 CB HIS A 109 23.615 12.487 -6.569 1.00 2.01 C ATOM 1843 CG HIS A 109 22.681 11.391 -6.097 1.00 14.21 C ATOM 1844 ND1 HIS A 109 23.094 10.339 -5.297 1.00 35.41 N ATOM 1845 CD2 HIS A 109 21.356 11.185 -6.312 1.00 20.01 C ATOM 1846 CE1 HIS A 109 22.070 9.544 -5.054 1.00 23.44 C ATOM 1847 NE2 HIS A 109 21.010 10.032 -5.658 1.00 70.24 N ATOM 0 H HIS A 109 22.439 12.113 -9.395 1.00 53.14 H new ATOM 0 HA HIS A 109 24.920 13.031 -8.209 1.00 71.33 H new ATOM 0 HB2 HIS A 109 24.510 12.473 -5.947 1.00 2.01 H new ATOM 0 HB3 HIS A 109 23.130 13.450 -6.409 1.00 2.01 H new ATOM 0 HD2 HIS A 109 20.697 11.814 -6.892 1.00 20.01 H new ATOM 0 HE1 HIS A 109 22.098 8.643 -4.459 1.00 23.44 H new ATOM 0 HE2 HIS A 109 20.078 9.618 -5.642 1.00 70.24 H new ATOM 1856 N HIS A 110 25.455 10.419 -7.743 1.00 71.51 N ATOM 1857 CA HIS A 110 25.849 9.006 -7.831 1.00 13.32 C ATOM 1858 C HIS A 110 25.365 8.281 -6.553 1.00 31.34 C ATOM 1859 O HIS A 110 24.483 7.403 -6.643 1.00 25.33 O ATOM 1860 CB HIS A 110 27.388 8.885 -8.008 1.00 5.12 C ATOM 1861 CG HIS A 110 27.871 7.470 -8.226 1.00 65.22 C ATOM 1862 ND1 HIS A 110 27.906 6.877 -9.468 1.00 72.55 N ATOM 1863 CD2 HIS A 110 28.344 6.536 -7.356 1.00 63.33 C ATOM 1864 CE1 HIS A 110 28.374 5.651 -9.355 1.00 13.14 C ATOM 1865 NE2 HIS A 110 28.643 5.418 -8.088 1.00 55.52 N ATOM 1866 OXT HIS A 110 25.825 8.654 -5.456 1.00 36.82 O ATOM 0 H HIS A 110 26.036 10.966 -7.108 1.00 71.51 H new ATOM 0 HA HIS A 110 25.388 8.538 -8.701 1.00 13.32 H new ATOM 0 HB2 HIS A 110 27.695 9.498 -8.855 1.00 5.12 H new ATOM 0 HB3 HIS A 110 27.878 9.294 -7.125 1.00 5.12 H new ATOM 0 HD2 HIS A 110 28.461 6.654 -6.289 1.00 63.33 H new ATOM 0 HE1 HIS A 110 28.514 4.953 -10.167 1.00 13.14 H new ATOM 0 HE2 HIS A 110 29.014 4.546 -7.712 1.00 55.52 H new TER 1875 HIS A 110