USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=27 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 1 MET CE :methyl 173:sc= 0 (180deg=-0.0633) USER MOD Set 1.2: A 3 SER OG : rot 63:sc= 0.278 USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.004 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= 0.925 (180deg=-0.301) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -20:sc= 0.0618 USER MOD Single : A 15 THR OG1 : rot 94:sc= 0.295 USER MOD Single : A 22 LYS NZ :NH3+ -133:sc= 1.25 (180deg=-0.157) USER MOD Single : A 24 LYS NZ :NH3+ 136:sc= 1.14 (180deg=-0.257) USER MOD Single : A 31 TYR OH : rot -95:sc= 0.134 USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0.101 (180deg=-0.115) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= 0.342 (180deg=-0.416) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0.0139 (180deg=-0.245) USER MOD Single : A 47 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.00062) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0037) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -3.43! C(o=-3.4!,f=-1.7!) USER MOD Single : A 58 LYS NZ :NH3+ -122:sc= -0.307 (180deg=-0.587) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0.0769 (180deg=-0.0829) USER MOD Single : A 67 LYS NZ :NH3+ 136:sc= 0.408 (180deg=-0.693) 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+ 135:sc= -1.45! (180deg=-3.96!) USER MOD Single : A 78 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.05) USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= 0.774 (180deg=0.625) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 89 GLN : amide:sc=-0.00937 X(o=-0.0094,f=-0.0094) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0299 (180deg=-0.175) USER MOD Single : A 92 GLN : amide:sc= 0.213 X(o=0.21,f=-0.0039) USER MOD Single : A 98 LYS NZ :NH3+ -118:sc= 1.22 (180deg=-0.136) USER MOD Single : A 99 LYS NZ :NH3+ -105:sc= 0.545 (180deg=-0.489) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00674) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 106 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.17) USER MOD Single : A 107 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.6) USER MOD Single : A 108 HIS : no HD1:sc= -0.0941 K(o=-0.094,f=-1.3) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.984 10.109 -17.451 1.00 73.34 N ATOM 2 CA MET A 1 -2.646 11.053 -16.367 1.00 31.14 C ATOM 3 C MET A 1 -1.289 10.664 -15.769 1.00 72.31 C ATOM 4 O MET A 1 -1.095 9.490 -15.418 1.00 44.22 O ATOM 5 CB MET A 1 -3.752 11.038 -15.269 1.00 53.05 C ATOM 6 CG MET A 1 -3.502 11.966 -14.068 1.00 4.44 C ATOM 7 SD MET A 1 -4.911 12.065 -12.939 1.00 55.14 S ATOM 8 CE MET A 1 -4.987 10.402 -12.268 1.00 52.25 C ATOM 0 H1 MET A 1 -3.998 9.881 -17.409 1.00 73.34 H new ATOM 0 H2 MET A 1 -2.764 10.543 -18.370 1.00 73.34 H new ATOM 0 H3 MET A 1 -2.428 9.237 -17.338 1.00 73.34 H new ATOM 0 HA MET A 1 -2.586 12.064 -16.771 1.00 31.14 H new ATOM 0 HB2 MET A 1 -4.701 11.315 -15.729 1.00 53.05 H new ATOM 0 HB3 MET A 1 -3.862 10.018 -14.902 1.00 53.05 H new ATOM 0 HG2 MET A 1 -2.629 11.612 -13.519 1.00 4.44 H new ATOM 0 HG3 MET A 1 -3.266 12.966 -14.433 1.00 4.44 H new ATOM 0 HE1 MET A 1 -5.730 10.365 -11.471 1.00 52.25 H new ATOM 0 HE2 MET A 1 -5.266 9.704 -13.057 1.00 52.25 H new ATOM 0 HE3 MET A 1 -4.011 10.126 -11.868 1.00 52.25 H new ATOM 20 N GLY A 2 -0.356 11.640 -15.675 1.00 12.11 N ATOM 21 CA GLY A 2 0.904 11.474 -14.942 1.00 4.20 C ATOM 22 C GLY A 2 0.635 11.325 -13.452 1.00 62.21 C ATOM 23 O GLY A 2 0.633 12.306 -12.706 1.00 50.20 O ATOM 0 H GLY A 2 -0.462 12.558 -16.106 1.00 12.11 H new ATOM 0 HA2 GLY A 2 1.434 10.596 -15.312 1.00 4.20 H new ATOM 0 HA3 GLY A 2 1.550 12.334 -15.117 1.00 4.20 H new ATOM 27 N SER A 3 0.359 10.084 -13.043 1.00 74.24 N ATOM 28 CA SER A 3 -0.102 9.748 -11.690 1.00 75.53 C ATOM 29 C SER A 3 1.068 9.605 -10.707 1.00 25.04 C ATOM 30 O SER A 3 2.204 9.398 -11.108 1.00 51.24 O ATOM 31 CB SER A 3 -0.912 8.426 -11.748 1.00 34.33 C ATOM 32 OG SER A 3 -2.007 8.538 -12.649 1.00 14.53 O ATOM 0 H SER A 3 0.450 9.270 -13.651 1.00 74.24 H new ATOM 0 HA SER A 3 -0.731 10.561 -11.329 1.00 75.53 H new ATOM 0 HB2 SER A 3 -0.261 7.610 -12.061 1.00 34.33 H new ATOM 0 HB3 SER A 3 -1.280 8.177 -10.753 1.00 34.33 H new ATOM 0 HG SER A 3 -1.670 8.688 -13.557 1.00 14.53 H new ATOM 38 N LYS A 4 0.772 9.790 -9.423 1.00 23.02 N ATOM 39 CA LYS A 4 1.600 9.292 -8.315 1.00 43.43 C ATOM 40 C LYS A 4 0.873 8.076 -7.747 1.00 12.54 C ATOM 41 O LYS A 4 -0.347 7.957 -7.907 1.00 41.34 O ATOM 42 CB LYS A 4 1.788 10.390 -7.224 1.00 12.13 C ATOM 43 CG LYS A 4 2.608 9.949 -5.974 1.00 41.30 C ATOM 44 CD LYS A 4 2.689 11.021 -4.853 1.00 42.21 C ATOM 45 CE LYS A 4 3.025 12.438 -5.361 1.00 25.12 C ATOM 46 NZ LYS A 4 4.299 12.486 -6.123 1.00 12.02 N ATOM 0 H LYS A 4 -0.058 10.295 -9.113 1.00 23.02 H new ATOM 0 HA LYS A 4 2.598 9.024 -8.661 1.00 43.43 H new ATOM 0 HB2 LYS A 4 2.281 11.250 -7.678 1.00 12.13 H new ATOM 0 HB3 LYS A 4 0.804 10.724 -6.894 1.00 12.13 H new ATOM 0 HG2 LYS A 4 2.163 9.043 -5.563 1.00 41.30 H new ATOM 0 HG3 LYS A 4 3.619 9.692 -6.289 1.00 41.30 H new ATOM 0 HD2 LYS A 4 1.736 11.052 -4.325 1.00 42.21 H new ATOM 0 HD3 LYS A 4 3.445 10.717 -4.129 1.00 42.21 H new ATOM 0 HE2 LYS A 4 2.213 12.794 -5.995 1.00 25.12 H new ATOM 0 HE3 LYS A 4 3.088 13.119 -4.512 1.00 25.12 H new ATOM 0 HZ1 LYS A 4 4.634 13.469 -6.178 1.00 12.02 H new ATOM 0 HZ2 LYS A 4 5.013 11.903 -5.642 1.00 12.02 H new ATOM 0 HZ3 LYS A 4 4.143 12.120 -7.084 1.00 12.02 H new ATOM 60 N ILE A 5 1.598 7.137 -7.139 1.00 21.11 N ATOM 61 CA ILE A 5 0.978 6.046 -6.376 1.00 44.24 C ATOM 62 C ILE A 5 1.703 5.879 -5.047 1.00 1.04 C ATOM 63 O ILE A 5 2.910 6.157 -4.929 1.00 62.14 O ATOM 64 CB ILE A 5 0.940 4.668 -7.148 1.00 73.25 C ATOM 65 CG1 ILE A 5 2.369 4.092 -7.383 1.00 52.43 C ATOM 66 CG2 ILE A 5 0.163 4.790 -8.489 1.00 2.34 C ATOM 67 CD1 ILE A 5 2.382 2.681 -7.941 1.00 23.35 C ATOM 0 H ILE A 5 2.617 7.107 -7.158 1.00 21.11 H new ATOM 0 HA ILE A 5 -0.062 6.330 -6.215 1.00 44.24 H new ATOM 0 HB ILE A 5 0.405 3.963 -6.512 1.00 73.25 H new ATOM 0 HG12 ILE A 5 2.906 4.748 -8.069 1.00 52.43 H new ATOM 0 HG13 ILE A 5 2.914 4.103 -6.439 1.00 52.43 H new ATOM 0 HG21 ILE A 5 0.156 3.824 -8.995 1.00 2.34 H new ATOM 0 HG22 ILE A 5 -0.862 5.102 -8.289 1.00 2.34 H new ATOM 0 HG23 ILE A 5 0.649 5.529 -9.125 1.00 2.34 H new ATOM 0 HD11 ILE A 5 3.413 2.353 -8.076 1.00 23.35 H new ATOM 0 HD12 ILE A 5 1.876 2.010 -7.247 1.00 23.35 H new ATOM 0 HD13 ILE A 5 1.867 2.665 -8.902 1.00 23.35 H new ATOM 79 N ILE A 6 0.948 5.453 -4.041 1.00 72.54 N ATOM 80 CA ILE A 6 1.475 5.134 -2.724 1.00 63.23 C ATOM 81 C ILE A 6 1.247 3.645 -2.472 1.00 74.03 C ATOM 82 O ILE A 6 0.125 3.159 -2.588 1.00 3.32 O ATOM 83 CB ILE A 6 0.790 5.978 -1.593 1.00 33.04 C ATOM 84 CG1 ILE A 6 0.938 7.518 -1.836 1.00 41.55 C ATOM 85 CG2 ILE A 6 1.342 5.586 -0.210 1.00 63.11 C ATOM 86 CD1 ILE A 6 2.351 8.077 -1.845 1.00 41.15 C ATOM 0 H ILE A 6 -0.060 5.318 -4.120 1.00 72.54 H new ATOM 0 HA ILE A 6 2.537 5.378 -2.702 1.00 63.23 H new ATOM 0 HB ILE A 6 -0.275 5.750 -1.619 1.00 33.04 H new ATOM 0 HG12 ILE A 6 0.472 7.758 -2.792 1.00 41.55 H new ATOM 0 HG13 ILE A 6 0.371 8.040 -1.065 1.00 41.55 H new ATOM 0 HG21 ILE A 6 0.853 6.184 0.560 1.00 63.11 H new ATOM 0 HG22 ILE A 6 1.148 4.529 -0.027 1.00 63.11 H new ATOM 0 HG23 ILE A 6 2.416 5.767 -0.182 1.00 63.11 H new ATOM 0 HD11 ILE A 6 2.316 9.152 -2.023 1.00 41.15 H new ATOM 0 HD12 ILE A 6 2.825 7.884 -0.883 1.00 41.15 H new ATOM 0 HD13 ILE A 6 2.927 7.597 -2.636 1.00 41.15 H new ATOM 98 N VAL A 7 2.316 2.946 -2.121 1.00 3.24 N ATOM 99 CA VAL A 7 2.285 1.527 -1.785 1.00 72.04 C ATOM 100 C VAL A 7 2.414 1.395 -0.267 1.00 1.21 C ATOM 101 O VAL A 7 3.437 1.780 0.303 1.00 50.15 O ATOM 102 CB VAL A 7 3.413 0.723 -2.534 1.00 30.52 C ATOM 103 CG1 VAL A 7 3.456 -0.752 -2.075 1.00 32.22 C ATOM 104 CG2 VAL A 7 3.213 0.815 -4.067 1.00 10.15 C ATOM 0 H VAL A 7 3.248 3.355 -2.060 1.00 3.24 H new ATOM 0 HA VAL A 7 1.340 1.095 -2.115 1.00 72.04 H new ATOM 0 HB VAL A 7 4.372 1.174 -2.279 1.00 30.52 H new ATOM 0 HG11 VAL A 7 4.246 -1.277 -2.612 1.00 32.22 H new ATOM 0 HG12 VAL A 7 3.655 -0.794 -1.004 1.00 32.22 H new ATOM 0 HG13 VAL A 7 2.497 -1.226 -2.285 1.00 32.22 H new ATOM 0 HG21 VAL A 7 4.000 0.254 -4.571 1.00 10.15 H new ATOM 0 HG22 VAL A 7 2.242 0.396 -4.333 1.00 10.15 H new ATOM 0 HG23 VAL A 7 3.255 1.859 -4.377 1.00 10.15 H new ATOM 114 N ILE A 8 1.357 0.893 0.383 1.00 24.32 N ATOM 115 CA ILE A 8 1.302 0.755 1.837 1.00 2.44 C ATOM 116 C ILE A 8 1.491 -0.720 2.203 1.00 55.34 C ATOM 117 O ILE A 8 0.708 -1.585 1.795 1.00 33.03 O ATOM 118 CB ILE A 8 -0.041 1.323 2.435 1.00 64.22 C ATOM 119 CG1 ILE A 8 -0.145 2.854 2.128 1.00 2.03 C ATOM 120 CG2 ILE A 8 -0.143 1.046 3.957 1.00 44.40 C ATOM 121 CD1 ILE A 8 -1.368 3.557 2.684 1.00 13.14 C ATOM 0 H ILE A 8 0.513 0.570 -0.091 1.00 24.32 H new ATOM 0 HA ILE A 8 2.106 1.346 2.275 1.00 2.44 H new ATOM 0 HB ILE A 8 -0.879 0.811 1.962 1.00 64.22 H new ATOM 0 HG12 ILE A 8 0.744 3.346 2.523 1.00 2.03 H new ATOM 0 HG13 ILE A 8 -0.131 2.990 1.047 1.00 2.03 H new ATOM 0 HG21 ILE A 8 -1.081 1.450 4.338 1.00 44.40 H new ATOM 0 HG22 ILE A 8 -0.113 -0.029 4.134 1.00 44.40 H new ATOM 0 HG23 ILE A 8 0.693 1.522 4.470 1.00 44.40 H new ATOM 0 HD11 ILE A 8 -1.337 4.612 2.411 1.00 13.14 H new ATOM 0 HD12 ILE A 8 -2.268 3.102 2.271 1.00 13.14 H new ATOM 0 HD13 ILE A 8 -1.379 3.463 3.770 1.00 13.14 H new ATOM 133 N ILE A 9 2.534 -0.971 2.984 1.00 14.11 N ATOM 134 CA ILE A 9 2.941 -2.295 3.421 1.00 21.10 C ATOM 135 C ILE A 9 2.136 -2.601 4.699 1.00 22.14 C ATOM 136 O ILE A 9 2.521 -2.204 5.813 1.00 31.53 O ATOM 137 CB ILE A 9 4.505 -2.374 3.677 1.00 73.01 C ATOM 138 CG1 ILE A 9 5.336 -2.164 2.353 1.00 21.22 C ATOM 139 CG2 ILE A 9 4.890 -3.712 4.351 1.00 24.55 C ATOM 140 CD1 ILE A 9 5.335 -0.756 1.769 1.00 24.44 C ATOM 0 H ILE A 9 3.139 -0.231 3.341 1.00 14.11 H new ATOM 0 HA ILE A 9 2.736 -3.037 2.649 1.00 21.10 H new ATOM 0 HB ILE A 9 4.756 -1.557 4.354 1.00 73.01 H new ATOM 0 HG12 ILE A 9 6.369 -2.452 2.548 1.00 21.22 H new ATOM 0 HG13 ILE A 9 4.952 -2.848 1.596 1.00 21.22 H new ATOM 0 HG21 ILE A 9 5.967 -3.740 4.515 1.00 24.55 H new ATOM 0 HG22 ILE A 9 4.375 -3.799 5.308 1.00 24.55 H new ATOM 0 HG23 ILE A 9 4.600 -4.541 3.706 1.00 24.55 H new ATOM 0 HD11 ILE A 9 5.939 -0.738 0.862 1.00 24.44 H new ATOM 0 HD12 ILE A 9 4.313 -0.462 1.530 1.00 24.44 H new ATOM 0 HD13 ILE A 9 5.752 -0.060 2.497 1.00 24.44 H new ATOM 152 N SER A 10 0.968 -3.232 4.518 1.00 24.15 N ATOM 153 CA SER A 10 0.004 -3.406 5.589 1.00 71.23 C ATOM 154 C SER A 10 0.289 -4.692 6.379 1.00 1.44 C ATOM 155 O SER A 10 0.173 -5.814 5.849 1.00 20.30 O ATOM 156 CB SER A 10 -1.434 -3.390 5.044 1.00 13.31 C ATOM 157 OG SER A 10 -2.359 -3.246 6.103 1.00 52.24 O ATOM 0 H SER A 10 0.675 -3.631 3.626 1.00 24.15 H new ATOM 0 HA SER A 10 0.105 -2.566 6.276 1.00 71.23 H new ATOM 0 HB2 SER A 10 -1.552 -2.571 4.335 1.00 13.31 H new ATOM 0 HB3 SER A 10 -1.634 -4.313 4.500 1.00 13.31 H new ATOM 0 HG SER A 10 -3.270 -3.236 5.742 1.00 52.24 H new ATOM 163 N SER A 11 0.708 -4.494 7.633 1.00 44.21 N ATOM 164 CA SER A 11 0.908 -5.552 8.629 1.00 12.52 C ATOM 165 C SER A 11 -0.458 -5.910 9.284 1.00 31.21 C ATOM 166 O SER A 11 -1.493 -5.903 8.598 1.00 4.53 O ATOM 167 CB SER A 11 1.932 -5.010 9.655 1.00 33.10 C ATOM 168 OG SER A 11 1.420 -3.855 10.306 1.00 14.10 O ATOM 0 H SER A 11 0.924 -3.565 7.994 1.00 44.21 H new ATOM 0 HA SER A 11 1.293 -6.471 8.187 1.00 12.52 H new ATOM 0 HB2 SER A 11 2.159 -5.780 10.392 1.00 33.10 H new ATOM 0 HB3 SER A 11 2.867 -4.766 9.151 1.00 33.10 H new ATOM 0 HG SER A 11 2.078 -3.525 10.953 1.00 14.10 H new ATOM 174 N ASP A 12 -0.459 -6.253 10.600 1.00 63.43 N ATOM 175 CA ASP A 12 -1.694 -6.533 11.361 1.00 63.32 C ATOM 176 C ASP A 12 -2.426 -5.222 11.715 1.00 42.43 C ATOM 177 O ASP A 12 -3.646 -5.226 11.906 1.00 4.23 O ATOM 178 CB ASP A 12 -1.368 -7.347 12.648 1.00 60.13 C ATOM 179 CG ASP A 12 -2.636 -7.779 13.426 1.00 4.23 C ATOM 180 OD1 ASP A 12 -3.328 -8.713 12.969 1.00 51.24 O ATOM 181 OD2 ASP A 12 -2.953 -7.182 14.482 1.00 21.30 O ATOM 0 H ASP A 12 0.393 -6.341 11.154 1.00 63.43 H new ATOM 0 HA ASP A 12 -2.355 -7.132 10.734 1.00 63.32 H new ATOM 0 HB2 ASP A 12 -0.795 -8.234 12.376 1.00 60.13 H new ATOM 0 HB3 ASP A 12 -0.734 -6.747 13.301 1.00 60.13 H new ATOM 186 N ASP A 13 -1.670 -4.108 11.785 1.00 42.33 N ATOM 187 CA ASP A 13 -2.215 -2.777 12.119 1.00 5.42 C ATOM 188 C ASP A 13 -3.242 -2.304 11.059 1.00 53.43 C ATOM 189 O ASP A 13 -2.968 -2.347 9.854 1.00 70.34 O ATOM 190 CB ASP A 13 -1.059 -1.753 12.257 1.00 53.23 C ATOM 191 CG ASP A 13 -1.544 -0.307 12.451 1.00 42.44 C ATOM 192 OD1 ASP A 13 -1.978 0.041 13.565 1.00 23.35 O ATOM 193 OD2 ASP A 13 -1.522 0.472 11.479 1.00 22.43 O ATOM 0 H ASP A 13 -0.665 -4.106 11.612 1.00 42.33 H new ATOM 0 HA ASP A 13 -2.739 -2.851 13.072 1.00 5.42 H new ATOM 0 HB2 ASP A 13 -0.433 -2.035 13.103 1.00 53.23 H new ATOM 0 HB3 ASP A 13 -0.432 -1.802 11.367 1.00 53.23 H new ATOM 198 N THR A 14 -4.423 -1.862 11.527 1.00 52.13 N ATOM 199 CA THR A 14 -5.513 -1.417 10.647 1.00 11.24 C ATOM 200 C THR A 14 -5.419 0.095 10.329 1.00 4.41 C ATOM 201 O THR A 14 -6.016 0.547 9.359 1.00 20.41 O ATOM 202 CB THR A 14 -6.917 -1.775 11.246 1.00 55.22 C ATOM 203 OG1 THR A 14 -7.981 -1.472 10.316 1.00 25.12 O ATOM 204 CG2 THR A 14 -7.184 -1.061 12.575 1.00 3.31 C ATOM 0 H THR A 14 -4.646 -1.804 12.521 1.00 52.13 H new ATOM 0 HA THR A 14 -5.400 -1.957 9.707 1.00 11.24 H new ATOM 0 HB THR A 14 -6.899 -2.849 11.434 1.00 55.22 H new ATOM 0 HG1 THR A 14 -7.662 -0.823 9.655 1.00 25.12 H new ATOM 0 HG21 THR A 14 -8.169 -1.343 12.948 1.00 3.31 H new ATOM 0 HG22 THR A 14 -6.425 -1.349 13.302 1.00 3.31 H new ATOM 0 HG23 THR A 14 -7.149 0.018 12.422 1.00 3.31 H new ATOM 212 N THR A 15 -4.666 0.877 11.129 1.00 51.13 N ATOM 213 CA THR A 15 -4.510 2.337 10.902 1.00 74.30 C ATOM 214 C THR A 15 -3.944 2.637 9.482 1.00 41.55 C ATOM 215 O THR A 15 -4.306 3.635 8.867 1.00 22.32 O ATOM 216 CB THR A 15 -3.587 2.968 11.995 1.00 64.41 C ATOM 217 OG1 THR A 15 -3.912 2.423 13.286 1.00 24.33 O ATOM 218 CG2 THR A 15 -3.695 4.500 12.052 1.00 0.35 C ATOM 0 H THR A 15 -4.155 0.526 11.939 1.00 51.13 H new ATOM 0 HA THR A 15 -5.500 2.788 10.972 1.00 74.30 H new ATOM 0 HB THR A 15 -2.561 2.720 11.722 1.00 64.41 H new ATOM 0 HG1 THR A 15 -3.330 1.657 13.474 1.00 24.33 H new ATOM 0 HG21 THR A 15 -3.033 4.883 12.828 1.00 0.35 H new ATOM 0 HG22 THR A 15 -3.407 4.921 11.089 1.00 0.35 H new ATOM 0 HG23 THR A 15 -4.722 4.784 12.279 1.00 0.35 H new ATOM 226 N LEU A 16 -3.121 1.699 8.977 1.00 51.12 N ATOM 227 CA LEU A 16 -2.531 1.738 7.615 1.00 35.03 C ATOM 228 C LEU A 16 -3.623 1.824 6.522 1.00 24.33 C ATOM 229 O LEU A 16 -3.634 2.749 5.704 1.00 34.30 O ATOM 230 CB LEU A 16 -1.690 0.450 7.408 1.00 73.02 C ATOM 231 CG LEU A 16 -0.438 0.310 8.332 1.00 50.24 C ATOM 232 CD1 LEU A 16 -0.087 -1.165 8.591 1.00 24.31 C ATOM 233 CD2 LEU A 16 0.767 1.072 7.749 1.00 44.13 C ATOM 0 H LEU A 16 -2.839 0.876 9.509 1.00 51.12 H new ATOM 0 HA LEU A 16 -1.907 2.628 7.529 1.00 35.03 H new ATOM 0 HB2 LEU A 16 -2.335 -0.414 7.566 1.00 73.02 H new ATOM 0 HB3 LEU A 16 -1.360 0.415 6.370 1.00 73.02 H new ATOM 0 HG LEU A 16 -0.689 0.759 9.293 1.00 50.24 H new ATOM 0 HD11 LEU A 16 0.789 -1.223 9.237 1.00 24.31 H new ATOM 0 HD12 LEU A 16 -0.929 -1.660 9.076 1.00 24.31 H new ATOM 0 HD13 LEU A 16 0.128 -1.660 7.644 1.00 24.31 H new ATOM 0 HD21 LEU A 16 1.625 0.958 8.412 1.00 44.13 H new ATOM 0 HD22 LEU A 16 1.012 0.669 6.766 1.00 44.13 H new ATOM 0 HD23 LEU A 16 0.518 2.129 7.656 1.00 44.13 H new ATOM 245 N GLU A 17 -4.548 0.845 6.563 1.00 73.41 N ATOM 246 CA GLU A 17 -5.618 0.661 5.554 1.00 54.43 C ATOM 247 C GLU A 17 -6.755 1.694 5.723 1.00 0.34 C ATOM 248 O GLU A 17 -7.479 1.985 4.759 1.00 30.32 O ATOM 249 CB GLU A 17 -6.172 -0.792 5.636 1.00 32.23 C ATOM 250 CG GLU A 17 -6.621 -1.216 7.045 1.00 62.35 C ATOM 251 CD GLU A 17 -7.321 -2.583 7.143 1.00 54.22 C ATOM 252 OE1 GLU A 17 -8.464 -2.707 6.663 1.00 12.21 O ATOM 253 OE2 GLU A 17 -6.739 -3.525 7.724 1.00 4.42 O ATOM 0 H GLU A 17 -4.576 0.148 7.307 1.00 73.41 H new ATOM 0 HA GLU A 17 -5.185 0.826 4.567 1.00 54.43 H new ATOM 0 HB2 GLU A 17 -7.017 -0.886 4.954 1.00 32.23 H new ATOM 0 HB3 GLU A 17 -5.403 -1.482 5.288 1.00 32.23 H new ATOM 0 HG2 GLU A 17 -5.746 -1.230 7.696 1.00 62.35 H new ATOM 0 HG3 GLU A 17 -7.296 -0.455 7.435 1.00 62.35 H new ATOM 260 N GLU A 18 -6.901 2.233 6.952 1.00 11.45 N ATOM 261 CA GLU A 18 -7.859 3.321 7.245 1.00 63.02 C ATOM 262 C GLU A 18 -7.387 4.633 6.592 1.00 3.12 C ATOM 263 O GLU A 18 -8.145 5.286 5.864 1.00 4.31 O ATOM 264 CB GLU A 18 -8.025 3.517 8.780 1.00 10.42 C ATOM 265 CG GLU A 18 -8.616 2.303 9.535 1.00 31.22 C ATOM 266 CD GLU A 18 -8.737 2.535 11.050 1.00 72.10 C ATOM 267 OE1 GLU A 18 -9.747 3.122 11.495 1.00 22.11 O ATOM 268 OE2 GLU A 18 -7.820 2.151 11.802 1.00 20.15 O ATOM 0 H GLU A 18 -6.363 1.929 7.764 1.00 11.45 H new ATOM 0 HA GLU A 18 -8.828 3.044 6.829 1.00 63.02 H new ATOM 0 HB2 GLU A 18 -7.051 3.753 9.208 1.00 10.42 H new ATOM 0 HB3 GLU A 18 -8.667 4.381 8.953 1.00 10.42 H new ATOM 0 HG2 GLU A 18 -9.601 2.075 9.129 1.00 31.22 H new ATOM 0 HG3 GLU A 18 -7.988 1.431 9.356 1.00 31.22 H new ATOM 275 N LEU A 19 -6.109 4.982 6.847 1.00 23.35 N ATOM 276 CA LEU A 19 -5.460 6.186 6.294 1.00 52.02 C ATOM 277 C LEU A 19 -5.347 6.109 4.763 1.00 63.41 C ATOM 278 O LEU A 19 -5.455 7.136 4.098 1.00 54.33 O ATOM 279 CB LEU A 19 -4.056 6.374 6.936 1.00 22.41 C ATOM 280 CG LEU A 19 -4.050 6.789 8.446 1.00 2.42 C ATOM 281 CD1 LEU A 19 -2.653 6.602 9.068 1.00 34.12 C ATOM 282 CD2 LEU A 19 -4.547 8.240 8.632 1.00 63.41 C ATOM 0 H LEU A 19 -5.495 4.431 7.447 1.00 23.35 H new ATOM 0 HA LEU A 19 -6.081 7.049 6.535 1.00 52.02 H new ATOM 0 HB2 LEU A 19 -3.502 5.441 6.832 1.00 22.41 H new ATOM 0 HB3 LEU A 19 -3.515 7.131 6.368 1.00 22.41 H new ATOM 0 HG LEU A 19 -4.742 6.130 8.970 1.00 2.42 H new ATOM 0 HD11 LEU A 19 -2.679 6.898 10.117 1.00 34.12 H new ATOM 0 HD12 LEU A 19 -2.359 5.555 8.994 1.00 34.12 H new ATOM 0 HD13 LEU A 19 -1.931 7.220 8.534 1.00 34.12 H new ATOM 0 HD21 LEU A 19 -4.531 8.497 9.691 1.00 63.41 H new ATOM 0 HD22 LEU A 19 -3.896 8.921 8.083 1.00 63.41 H new ATOM 0 HD23 LEU A 19 -5.565 8.327 8.253 1.00 63.41 H new ATOM 294 N ALA A 20 -5.178 4.871 4.235 1.00 32.01 N ATOM 295 CA ALA A 20 -4.959 4.578 2.794 1.00 64.15 C ATOM 296 C ALA A 20 -5.927 5.332 1.860 1.00 24.55 C ATOM 297 O ALA A 20 -5.535 5.777 0.776 1.00 43.35 O ATOM 298 CB ALA A 20 -5.067 3.061 2.551 1.00 13.54 C ATOM 0 H ALA A 20 -5.190 4.029 4.811 1.00 32.01 H new ATOM 0 HA ALA A 20 -3.957 4.932 2.550 1.00 64.15 H new ATOM 0 HB1 ALA A 20 -4.906 2.849 1.494 1.00 13.54 H new ATOM 0 HB2 ALA A 20 -4.313 2.543 3.144 1.00 13.54 H new ATOM 0 HB3 ALA A 20 -6.059 2.715 2.843 1.00 13.54 H new ATOM 304 N ARG A 21 -7.188 5.473 2.304 1.00 14.23 N ATOM 305 CA ARG A 21 -8.222 6.173 1.536 1.00 43.22 C ATOM 306 C ARG A 21 -7.980 7.693 1.526 1.00 32.43 C ATOM 307 O ARG A 21 -8.079 8.323 0.474 1.00 0.24 O ATOM 308 CB ARG A 21 -9.621 5.824 2.093 1.00 44.53 C ATOM 309 CG ARG A 21 -10.791 6.372 1.245 1.00 1.12 C ATOM 310 CD ARG A 21 -12.172 5.947 1.770 1.00 32.13 C ATOM 311 NE ARG A 21 -13.255 6.604 1.018 1.00 44.13 N ATOM 312 CZ ARG A 21 -14.521 6.168 0.924 1.00 24.25 C ATOM 313 NH1 ARG A 21 -14.913 5.039 1.516 1.00 53.10 N ATOM 314 NH2 ARG A 21 -15.393 6.883 0.223 1.00 50.52 N ATOM 0 H ARG A 21 -7.513 5.107 3.199 1.00 14.23 H new ATOM 0 HA ARG A 21 -8.172 5.838 0.500 1.00 43.22 H new ATOM 0 HB2 ARG A 21 -9.713 4.740 2.162 1.00 44.53 H new ATOM 0 HB3 ARG A 21 -9.705 6.217 3.106 1.00 44.53 H new ATOM 0 HG2 ARG A 21 -10.737 7.460 1.224 1.00 1.12 H new ATOM 0 HG3 ARG A 21 -10.679 6.027 0.217 1.00 1.12 H new ATOM 0 HD2 ARG A 21 -12.276 4.865 1.691 1.00 32.13 H new ATOM 0 HD3 ARG A 21 -12.255 6.199 2.827 1.00 32.13 H new ATOM 0 HE ARG A 21 -13.022 7.466 0.525 1.00 44.13 H new ATOM 0 HH11 ARG A 21 -14.245 4.487 2.054 1.00 53.10 H new ATOM 0 HH12 ARG A 21 -15.881 4.728 1.431 1.00 53.10 H new ATOM 0 HH21 ARG A 21 -15.096 7.746 -0.232 1.00 50.52 H new ATOM 0 HH22 ARG A 21 -16.360 6.569 0.139 1.00 50.52 H new ATOM 328 N LYS A 22 -7.602 8.255 2.696 1.00 62.32 N ATOM 329 CA LYS A 22 -7.331 9.708 2.847 1.00 74.20 C ATOM 330 C LYS A 22 -6.215 10.154 1.890 1.00 22.35 C ATOM 331 O LYS A 22 -6.271 11.265 1.350 1.00 53.21 O ATOM 332 CB LYS A 22 -6.944 10.099 4.308 1.00 1.41 C ATOM 333 CG LYS A 22 -8.081 10.001 5.357 1.00 73.33 C ATOM 334 CD LYS A 22 -8.431 8.549 5.756 1.00 34.10 C ATOM 335 CE LYS A 22 -9.637 8.460 6.702 1.00 72.15 C ATOM 336 NZ LYS A 22 -9.871 7.072 7.176 1.00 30.20 N ATOM 0 H LYS A 22 -7.476 7.722 3.557 1.00 62.32 H new ATOM 0 HA LYS A 22 -8.260 10.221 2.599 1.00 74.20 H new ATOM 0 HB2 LYS A 22 -6.123 9.459 4.630 1.00 1.41 H new ATOM 0 HB3 LYS A 22 -6.568 11.122 4.303 1.00 1.41 H new ATOM 0 HG2 LYS A 22 -7.789 10.554 6.250 1.00 73.33 H new ATOM 0 HG3 LYS A 22 -8.973 10.485 4.960 1.00 73.33 H new ATOM 0 HD2 LYS A 22 -8.639 7.971 4.856 1.00 34.10 H new ATOM 0 HD3 LYS A 22 -7.566 8.091 6.236 1.00 34.10 H new ATOM 0 HE2 LYS A 22 -9.474 9.113 7.559 1.00 72.15 H new ATOM 0 HE3 LYS A 22 -10.528 8.823 6.189 1.00 72.15 H new ATOM 0 HZ1 LYS A 22 -10.880 6.839 7.084 1.00 30.20 H new ATOM 0 HZ2 LYS A 22 -9.310 6.410 6.603 1.00 30.20 H new ATOM 0 HZ3 LYS A 22 -9.587 6.993 8.173 1.00 30.20 H new ATOM 350 N ILE A 23 -5.212 9.277 1.685 1.00 24.43 N ATOM 351 CA ILE A 23 -4.151 9.502 0.697 1.00 50.31 C ATOM 352 C ILE A 23 -4.750 9.650 -0.721 1.00 74.52 C ATOM 353 O ILE A 23 -4.555 10.682 -1.355 1.00 73.32 O ATOM 354 CB ILE A 23 -3.045 8.366 0.720 1.00 23.23 C ATOM 355 CG1 ILE A 23 -2.093 8.463 1.965 1.00 62.52 C ATOM 356 CG2 ILE A 23 -2.201 8.374 -0.575 1.00 21.20 C ATOM 357 CD1 ILE A 23 -2.678 8.096 3.311 1.00 72.32 C ATOM 0 H ILE A 23 -5.119 8.400 2.198 1.00 24.43 H new ATOM 0 HA ILE A 23 -3.655 10.432 0.972 1.00 50.31 H new ATOM 0 HB ILE A 23 -3.591 7.425 0.791 1.00 23.23 H new ATOM 0 HG12 ILE A 23 -1.232 7.819 1.784 1.00 62.52 H new ATOM 0 HG13 ILE A 23 -1.719 9.485 2.026 1.00 62.52 H new ATOM 0 HG21 ILE A 23 -1.452 7.583 -0.526 1.00 21.20 H new ATOM 0 HG22 ILE A 23 -2.851 8.206 -1.434 1.00 21.20 H new ATOM 0 HG23 ILE A 23 -1.704 9.338 -0.679 1.00 21.20 H new ATOM 0 HD11 ILE A 23 -1.915 8.207 4.082 1.00 72.32 H new ATOM 0 HD12 ILE A 23 -3.518 8.754 3.534 1.00 72.32 H new ATOM 0 HD13 ILE A 23 -3.023 7.062 3.288 1.00 72.32 H new ATOM 369 N LYS A 24 -5.515 8.635 -1.192 1.00 4.44 N ATOM 370 CA LYS A 24 -6.000 8.601 -2.593 1.00 5.24 C ATOM 371 C LYS A 24 -7.034 9.696 -2.912 1.00 31.03 C ATOM 372 O LYS A 24 -7.260 10.006 -4.090 1.00 55.31 O ATOM 373 CB LYS A 24 -6.521 7.213 -3.006 1.00 40.20 C ATOM 374 CG LYS A 24 -7.785 6.700 -2.280 1.00 43.40 C ATOM 375 CD LYS A 24 -8.560 5.659 -3.127 1.00 63.31 C ATOM 376 CE LYS A 24 -7.682 4.494 -3.632 1.00 72.42 C ATOM 377 NZ LYS A 24 -8.409 3.638 -4.605 1.00 12.52 N ATOM 0 H LYS A 24 -5.807 7.837 -0.628 1.00 4.44 H new ATOM 0 HA LYS A 24 -5.119 8.817 -3.198 1.00 5.24 H new ATOM 0 HB2 LYS A 24 -6.728 7.232 -4.076 1.00 40.20 H new ATOM 0 HB3 LYS A 24 -5.721 6.489 -2.849 1.00 40.20 H new ATOM 0 HG2 LYS A 24 -7.500 6.252 -1.328 1.00 43.40 H new ATOM 0 HG3 LYS A 24 -8.439 7.542 -2.053 1.00 43.40 H new ATOM 0 HD2 LYS A 24 -9.378 5.254 -2.530 1.00 63.31 H new ATOM 0 HD3 LYS A 24 -9.009 6.162 -3.983 1.00 63.31 H new ATOM 0 HE2 LYS A 24 -6.782 4.893 -4.100 1.00 72.42 H new ATOM 0 HE3 LYS A 24 -7.359 3.888 -2.785 1.00 72.42 H new ATOM 0 HZ1 LYS A 24 -7.785 3.418 -5.407 1.00 12.52 H new ATOM 0 HZ2 LYS A 24 -8.700 2.755 -4.140 1.00 12.52 H new ATOM 0 HZ3 LYS A 24 -9.251 4.142 -4.949 1.00 12.52 H new ATOM 391 N ASP A 25 -7.665 10.265 -1.865 1.00 32.52 N ATOM 392 CA ASP A 25 -8.561 11.433 -2.005 1.00 75.13 C ATOM 393 C ASP A 25 -7.810 12.715 -2.466 1.00 14.15 C ATOM 394 O ASP A 25 -8.454 13.711 -2.821 1.00 74.30 O ATOM 395 CB ASP A 25 -9.344 11.695 -0.686 1.00 24.42 C ATOM 396 CG ASP A 25 -10.517 10.708 -0.473 1.00 53.32 C ATOM 397 OD1 ASP A 25 -11.487 10.764 -1.260 1.00 22.12 O ATOM 398 OD2 ASP A 25 -10.486 9.892 0.472 1.00 11.51 O ATOM 0 H ASP A 25 -7.570 9.932 -0.906 1.00 32.52 H new ATOM 0 HA ASP A 25 -9.274 11.186 -2.792 1.00 75.13 H new ATOM 0 HB2 ASP A 25 -8.658 11.623 0.158 1.00 24.42 H new ATOM 0 HB3 ASP A 25 -9.731 12.714 -0.696 1.00 24.42 H new ATOM 403 N GLU A 26 -6.458 12.686 -2.463 1.00 34.24 N ATOM 404 CA GLU A 26 -5.622 13.755 -3.068 1.00 13.10 C ATOM 405 C GLU A 26 -5.639 13.678 -4.614 1.00 3.43 C ATOM 406 O GLU A 26 -5.235 14.627 -5.288 1.00 54.23 O ATOM 407 CB GLU A 26 -4.162 13.679 -2.531 1.00 34.41 C ATOM 408 CG GLU A 26 -4.001 13.997 -1.029 1.00 1.24 C ATOM 409 CD GLU A 26 -4.463 15.420 -0.662 1.00 42.42 C ATOM 410 OE1 GLU A 26 -3.679 16.375 -0.829 1.00 4.35 O ATOM 411 OE2 GLU A 26 -5.623 15.597 -0.233 1.00 63.53 O ATOM 0 H GLU A 26 -5.917 11.929 -2.046 1.00 34.24 H new ATOM 0 HA GLU A 26 -6.049 14.715 -2.778 1.00 13.10 H new ATOM 0 HB2 GLU A 26 -3.774 12.678 -2.718 1.00 34.41 H new ATOM 0 HB3 GLU A 26 -3.544 14.372 -3.102 1.00 34.41 H new ATOM 0 HG2 GLU A 26 -4.572 13.274 -0.447 1.00 1.24 H new ATOM 0 HG3 GLU A 26 -2.955 13.877 -0.748 1.00 1.24 H new ATOM 418 N GLY A 27 -6.100 12.537 -5.164 1.00 3.43 N ATOM 419 CA GLY A 27 -6.277 12.374 -6.616 1.00 53.43 C ATOM 420 C GLY A 27 -5.300 11.387 -7.234 1.00 10.33 C ATOM 421 O GLY A 27 -4.991 11.478 -8.424 1.00 34.00 O ATOM 0 H GLY A 27 -6.357 11.713 -4.620 1.00 3.43 H new ATOM 0 HA2 GLY A 27 -7.295 12.040 -6.816 1.00 53.43 H new ATOM 0 HA3 GLY A 27 -6.159 13.343 -7.100 1.00 53.43 H new ATOM 425 N LEU A 28 -4.808 10.438 -6.425 1.00 22.33 N ATOM 426 CA LEU A 28 -3.861 9.390 -6.876 1.00 44.30 C ATOM 427 C LEU A 28 -4.385 8.001 -6.489 1.00 5.42 C ATOM 428 O LEU A 28 -5.426 7.898 -5.847 1.00 14.41 O ATOM 429 CB LEU A 28 -2.440 9.623 -6.290 1.00 31.15 C ATOM 430 CG LEU A 28 -2.258 9.473 -4.743 1.00 34.43 C ATOM 431 CD1 LEU A 28 -0.771 9.377 -4.370 1.00 11.23 C ATOM 432 CD2 LEU A 28 -2.906 10.638 -3.984 1.00 34.14 C ATOM 0 H LEU A 28 -5.051 10.369 -5.437 1.00 22.33 H new ATOM 0 HA LEU A 28 -3.784 9.447 -7.962 1.00 44.30 H new ATOM 0 HB2 LEU A 28 -1.758 8.926 -6.777 1.00 31.15 H new ATOM 0 HB3 LEU A 28 -2.123 10.628 -6.569 1.00 31.15 H new ATOM 0 HG LEU A 28 -2.758 8.550 -4.451 1.00 34.43 H new ATOM 0 HD11 LEU A 28 -0.673 9.273 -3.289 1.00 11.23 H new ATOM 0 HD12 LEU A 28 -0.328 8.509 -4.859 1.00 11.23 H new ATOM 0 HD13 LEU A 28 -0.255 10.280 -4.696 1.00 11.23 H new ATOM 0 HD21 LEU A 28 -2.760 10.500 -2.913 1.00 34.14 H new ATOM 0 HD22 LEU A 28 -2.446 11.576 -4.295 1.00 34.14 H new ATOM 0 HD23 LEU A 28 -3.973 10.667 -4.204 1.00 34.14 H new ATOM 444 N GLU A 29 -3.679 6.932 -6.904 1.00 44.22 N ATOM 445 CA GLU A 29 -4.044 5.544 -6.545 1.00 15.01 C ATOM 446 C GLU A 29 -3.165 5.022 -5.389 1.00 65.22 C ATOM 447 O GLU A 29 -2.028 5.465 -5.213 1.00 40.42 O ATOM 448 CB GLU A 29 -3.908 4.633 -7.798 1.00 52.23 C ATOM 449 CG GLU A 29 -4.391 3.169 -7.615 1.00 25.42 C ATOM 450 CD GLU A 29 -5.837 3.065 -7.082 1.00 11.21 C ATOM 451 OE1 GLU A 29 -6.764 3.576 -7.751 1.00 64.11 O ATOM 452 OE2 GLU A 29 -6.056 2.496 -5.988 1.00 44.12 O ATOM 0 H GLU A 29 -2.848 7.002 -7.491 1.00 44.22 H new ATOM 0 HA GLU A 29 -5.079 5.528 -6.202 1.00 15.01 H new ATOM 0 HB2 GLU A 29 -4.471 5.083 -8.616 1.00 52.23 H new ATOM 0 HB3 GLU A 29 -2.861 4.617 -8.102 1.00 52.23 H new ATOM 0 HG2 GLU A 29 -4.325 2.650 -8.571 1.00 25.42 H new ATOM 0 HG3 GLU A 29 -3.720 2.656 -6.927 1.00 25.42 H new ATOM 459 N VAL A 30 -3.718 4.083 -4.597 1.00 32.01 N ATOM 460 CA VAL A 30 -3.004 3.398 -3.511 1.00 62.11 C ATOM 461 C VAL A 30 -2.996 1.881 -3.775 1.00 21.14 C ATOM 462 O VAL A 30 -4.053 1.265 -3.985 1.00 55.30 O ATOM 463 CB VAL A 30 -3.645 3.713 -2.104 1.00 71.42 C ATOM 464 CG1 VAL A 30 -2.962 2.918 -0.964 1.00 70.15 C ATOM 465 CG2 VAL A 30 -3.577 5.224 -1.812 1.00 33.22 C ATOM 0 H VAL A 30 -4.686 3.778 -4.698 1.00 32.01 H new ATOM 0 HA VAL A 30 -1.979 3.767 -3.489 1.00 62.11 H new ATOM 0 HB VAL A 30 -4.688 3.400 -2.144 1.00 71.42 H new ATOM 0 HG11 VAL A 30 -3.435 3.166 -0.014 1.00 70.15 H new ATOM 0 HG12 VAL A 30 -3.065 1.849 -1.153 1.00 70.15 H new ATOM 0 HG13 VAL A 30 -1.904 3.178 -0.922 1.00 70.15 H new ATOM 0 HG21 VAL A 30 -4.023 5.427 -0.838 1.00 33.22 H new ATOM 0 HG22 VAL A 30 -2.536 5.548 -1.809 1.00 33.22 H new ATOM 0 HG23 VAL A 30 -4.124 5.768 -2.582 1.00 33.22 H new ATOM 475 N TYR A 31 -1.792 1.303 -3.771 1.00 21.20 N ATOM 476 CA TYR A 31 -1.567 -0.137 -3.898 1.00 64.40 C ATOM 477 C TYR A 31 -1.200 -0.663 -2.511 1.00 73.32 C ATOM 478 O TYR A 31 -0.305 -0.123 -1.875 1.00 42.24 O ATOM 479 CB TYR A 31 -0.418 -0.437 -4.902 1.00 22.01 C ATOM 480 CG TYR A 31 -0.718 -0.110 -6.384 1.00 3.25 C ATOM 481 CD1 TYR A 31 -0.902 1.206 -6.817 1.00 30.22 C ATOM 482 CD2 TYR A 31 -0.814 -1.123 -7.355 1.00 62.22 C ATOM 483 CE1 TYR A 31 -1.157 1.497 -8.144 1.00 60.15 C ATOM 484 CE2 TYR A 31 -1.064 -0.825 -8.684 1.00 41.22 C ATOM 485 CZ TYR A 31 -1.242 0.486 -9.068 1.00 32.13 C ATOM 486 OH TYR A 31 -1.499 0.792 -10.387 1.00 43.55 O ATOM 0 H TYR A 31 -0.928 1.836 -3.677 1.00 21.20 H new ATOM 0 HA TYR A 31 -2.465 -0.624 -4.278 1.00 64.40 H new ATOM 0 HB2 TYR A 31 0.463 0.127 -4.596 1.00 22.01 H new ATOM 0 HB3 TYR A 31 -0.162 -1.494 -4.827 1.00 22.01 H new ATOM 0 HD1 TYR A 31 -0.844 2.012 -6.100 1.00 30.22 H new ATOM 0 HD2 TYR A 31 -0.690 -2.154 -7.058 1.00 62.22 H new ATOM 0 HE1 TYR A 31 -1.290 2.523 -8.454 1.00 60.15 H new ATOM 0 HE2 TYR A 31 -1.119 -1.617 -9.416 1.00 41.22 H new ATOM 0 HH TYR A 31 -2.460 0.708 -10.561 1.00 43.55 H new ATOM 496 N ILE A 32 -1.890 -1.686 -2.018 1.00 35.31 N ATOM 497 CA ILE A 32 -1.587 -2.256 -0.693 1.00 32.44 C ATOM 498 C ILE A 32 -0.787 -3.555 -0.875 1.00 5.44 C ATOM 499 O ILE A 32 -1.194 -4.417 -1.651 1.00 53.11 O ATOM 500 CB ILE A 32 -2.894 -2.552 0.133 1.00 50.24 C ATOM 501 CG1 ILE A 32 -3.815 -1.291 0.267 1.00 51.31 C ATOM 502 CG2 ILE A 32 -2.543 -3.117 1.530 1.00 44.34 C ATOM 503 CD1 ILE A 32 -3.248 -0.150 1.099 1.00 53.42 C ATOM 0 H ILE A 32 -2.661 -2.142 -2.507 1.00 35.31 H new ATOM 0 HA ILE A 32 -1.004 -1.524 -0.135 1.00 32.44 H new ATOM 0 HB ILE A 32 -3.456 -3.303 -0.422 1.00 50.24 H new ATOM 0 HG12 ILE A 32 -4.034 -0.915 -0.732 1.00 51.31 H new ATOM 0 HG13 ILE A 32 -4.764 -1.601 0.706 1.00 51.31 H new ATOM 0 HG21 ILE A 32 -3.461 -3.314 2.084 1.00 44.34 H new ATOM 0 HG22 ILE A 32 -1.981 -4.044 1.417 1.00 44.34 H new ATOM 0 HG23 ILE A 32 -1.939 -2.391 2.075 1.00 44.34 H new ATOM 0 HD11 ILE A 32 -3.964 0.671 1.127 1.00 53.42 H new ATOM 0 HD12 ILE A 32 -3.057 -0.500 2.114 1.00 53.42 H new ATOM 0 HD13 ILE A 32 -2.316 0.197 0.653 1.00 53.42 H new ATOM 515 N LEU A 33 0.359 -3.688 -0.193 1.00 24.13 N ATOM 516 CA LEU A 33 1.084 -4.965 -0.112 1.00 0.41 C ATOM 517 C LEU A 33 0.780 -5.629 1.218 1.00 71.42 C ATOM 518 O LEU A 33 1.229 -5.171 2.277 1.00 62.12 O ATOM 519 CB LEU A 33 2.606 -4.774 -0.329 1.00 23.15 C ATOM 520 CG LEU A 33 3.007 -4.376 -1.782 1.00 34.51 C ATOM 521 CD1 LEU A 33 4.536 -4.357 -1.964 1.00 23.01 C ATOM 522 CD2 LEU A 33 2.322 -5.301 -2.814 1.00 2.31 C ATOM 0 H LEU A 33 0.806 -2.923 0.313 1.00 24.13 H new ATOM 0 HA LEU A 33 0.743 -5.618 -0.915 1.00 0.41 H new ATOM 0 HB2 LEU A 33 2.964 -4.006 0.357 1.00 23.15 H new ATOM 0 HB3 LEU A 33 3.117 -5.700 -0.065 1.00 23.15 H new ATOM 0 HG LEU A 33 2.654 -3.360 -1.959 1.00 34.51 H new ATOM 0 HD11 LEU A 33 4.777 -4.075 -2.989 1.00 23.01 H new ATOM 0 HD12 LEU A 33 4.975 -3.634 -1.276 1.00 23.01 H new ATOM 0 HD13 LEU A 33 4.940 -5.348 -1.756 1.00 23.01 H new ATOM 0 HD21 LEU A 33 2.617 -5.004 -3.821 1.00 2.31 H new ATOM 0 HD22 LEU A 33 2.626 -6.333 -2.636 1.00 2.31 H new ATOM 0 HD23 LEU A 33 1.240 -5.219 -2.714 1.00 2.31 H new ATOM 534 N LEU A 34 -0.018 -6.693 1.149 1.00 2.54 N ATOM 535 CA LEU A 34 -0.512 -7.397 2.322 1.00 55.34 C ATOM 536 C LEU A 34 0.520 -8.461 2.747 1.00 4.02 C ATOM 537 O LEU A 34 0.976 -9.260 1.913 1.00 53.20 O ATOM 538 CB LEU A 34 -1.914 -8.021 2.007 1.00 31.11 C ATOM 539 CG LEU A 34 -3.001 -7.857 3.116 1.00 41.11 C ATOM 540 CD1 LEU A 34 -2.626 -8.593 4.425 1.00 20.42 C ATOM 541 CD2 LEU A 34 -3.279 -6.359 3.374 1.00 41.15 C ATOM 0 H LEU A 34 -0.341 -7.091 0.267 1.00 2.54 H new ATOM 0 HA LEU A 34 -0.642 -6.708 3.157 1.00 55.34 H new ATOM 0 HB2 LEU A 34 -2.291 -7.573 1.088 1.00 31.11 H new ATOM 0 HB3 LEU A 34 -1.780 -9.085 1.811 1.00 31.11 H new ATOM 0 HG LEU A 34 -3.915 -8.326 2.751 1.00 41.11 H new ATOM 0 HD11 LEU A 34 -3.415 -8.447 5.163 1.00 20.42 H new ATOM 0 HD12 LEU A 34 -2.510 -9.658 4.223 1.00 20.42 H new ATOM 0 HD13 LEU A 34 -1.689 -8.193 4.812 1.00 20.42 H new ATOM 0 HD21 LEU A 34 -4.039 -6.258 4.149 1.00 41.15 H new ATOM 0 HD22 LEU A 34 -2.361 -5.869 3.699 1.00 41.15 H new ATOM 0 HD23 LEU A 34 -3.634 -5.891 2.456 1.00 41.15 H new ATOM 553 N LYS A 35 0.902 -8.440 4.037 1.00 0.00 N ATOM 554 CA LYS A 35 1.787 -9.446 4.644 1.00 31.14 C ATOM 555 C LYS A 35 1.159 -9.956 5.956 1.00 43.34 C ATOM 556 O LYS A 35 0.853 -9.169 6.859 1.00 42.22 O ATOM 557 CB LYS A 35 3.219 -8.867 4.887 1.00 61.01 C ATOM 558 CG LYS A 35 3.293 -7.543 5.695 1.00 13.14 C ATOM 559 CD LYS A 35 4.735 -7.196 6.161 1.00 62.34 C ATOM 560 CE LYS A 35 5.766 -7.192 5.014 1.00 11.41 C ATOM 561 NZ LYS A 35 7.081 -6.621 5.430 1.00 61.02 N ATOM 0 H LYS A 35 0.602 -7.717 4.691 1.00 0.00 H new ATOM 0 HA LYS A 35 1.895 -10.284 3.956 1.00 31.14 H new ATOM 0 HB2 LYS A 35 3.810 -9.620 5.408 1.00 61.01 H new ATOM 0 HB3 LYS A 35 3.692 -8.705 3.919 1.00 61.01 H new ATOM 0 HG2 LYS A 35 2.909 -6.728 5.082 1.00 13.14 H new ATOM 0 HG3 LYS A 35 2.644 -7.619 6.567 1.00 13.14 H new ATOM 0 HD2 LYS A 35 4.729 -6.216 6.637 1.00 62.34 H new ATOM 0 HD3 LYS A 35 5.047 -7.916 6.918 1.00 62.34 H new ATOM 0 HE2 LYS A 35 5.913 -8.212 4.658 1.00 11.41 H new ATOM 0 HE3 LYS A 35 5.372 -6.616 4.177 1.00 11.41 H new ATOM 0 HZ1 LYS A 35 7.486 -6.073 4.644 1.00 61.02 H new ATOM 0 HZ2 LYS A 35 6.945 -5.999 6.252 1.00 61.02 H new ATOM 0 HZ3 LYS A 35 7.730 -7.393 5.684 1.00 61.02 H new ATOM 575 N ASP A 36 0.918 -11.273 6.033 1.00 50.33 N ATOM 576 CA ASP A 36 0.423 -11.955 7.244 1.00 14.10 C ATOM 577 C ASP A 36 1.233 -13.249 7.454 1.00 64.04 C ATOM 578 O ASP A 36 1.948 -13.683 6.539 1.00 21.45 O ATOM 579 CB ASP A 36 -1.096 -12.231 7.101 1.00 23.10 C ATOM 580 CG ASP A 36 -1.753 -12.745 8.389 1.00 73.12 C ATOM 581 OD1 ASP A 36 -2.030 -11.927 9.290 1.00 4.23 O ATOM 582 OD2 ASP A 36 -1.971 -13.962 8.517 1.00 43.54 O ATOM 0 H ASP A 36 1.063 -11.906 5.246 1.00 50.33 H new ATOM 0 HA ASP A 36 0.557 -11.326 8.124 1.00 14.10 H new ATOM 0 HB2 ASP A 36 -1.595 -11.313 6.790 1.00 23.10 H new ATOM 0 HB3 ASP A 36 -1.250 -12.963 6.308 1.00 23.10 H new ATOM 587 N LYS A 37 1.137 -13.850 8.661 1.00 14.25 N ATOM 588 CA LYS A 37 1.851 -15.105 8.999 1.00 21.41 C ATOM 589 C LYS A 37 1.242 -16.306 8.248 1.00 3.34 C ATOM 590 O LYS A 37 1.900 -17.336 8.079 1.00 2.54 O ATOM 591 CB LYS A 37 1.869 -15.374 10.544 1.00 3.35 C ATOM 592 CG LYS A 37 2.948 -14.611 11.384 1.00 12.04 C ATOM 593 CD LYS A 37 2.518 -13.198 11.881 1.00 63.32 C ATOM 594 CE LYS A 37 2.639 -12.083 10.834 1.00 42.32 C ATOM 595 NZ LYS A 37 2.040 -10.809 11.311 1.00 32.44 N ATOM 0 H LYS A 37 0.568 -13.484 9.424 1.00 14.25 H new ATOM 0 HA LYS A 37 2.885 -14.981 8.676 1.00 21.41 H new ATOM 0 HB2 LYS A 37 0.887 -15.121 10.944 1.00 3.35 H new ATOM 0 HB3 LYS A 37 2.011 -16.443 10.700 1.00 3.35 H new ATOM 0 HG2 LYS A 37 3.210 -15.220 12.249 1.00 12.04 H new ATOM 0 HG3 LYS A 37 3.850 -14.509 10.781 1.00 12.04 H new ATOM 0 HD2 LYS A 37 1.484 -13.247 12.221 1.00 63.32 H new ATOM 0 HD3 LYS A 37 3.125 -12.932 12.746 1.00 63.32 H new ATOM 0 HE2 LYS A 37 3.690 -11.923 10.594 1.00 42.32 H new ATOM 0 HE3 LYS A 37 2.146 -12.394 9.913 1.00 42.32 H new ATOM 0 HZ1 LYS A 37 2.142 -10.081 10.576 1.00 32.44 H new ATOM 0 HZ2 LYS A 37 1.031 -10.955 11.516 1.00 32.44 H new ATOM 0 HZ3 LYS A 37 2.528 -10.498 12.176 1.00 32.44 H new ATOM 609 N ASP A 38 -0.010 -16.150 7.794 1.00 1.42 N ATOM 610 CA ASP A 38 -0.744 -17.172 7.033 1.00 3.22 C ATOM 611 C ASP A 38 -1.277 -16.539 5.738 1.00 42.22 C ATOM 612 O ASP A 38 -2.014 -15.554 5.795 1.00 51.30 O ATOM 613 CB ASP A 38 -1.908 -17.721 7.890 1.00 34.10 C ATOM 614 CG ASP A 38 -2.683 -18.861 7.203 1.00 33.15 C ATOM 615 OD1 ASP A 38 -3.636 -18.587 6.435 1.00 41.31 O ATOM 616 OD2 ASP A 38 -2.337 -20.042 7.432 1.00 13.44 O ATOM 0 H ASP A 38 -0.549 -15.298 7.947 1.00 1.42 H new ATOM 0 HA ASP A 38 -0.082 -18.001 6.781 1.00 3.22 H new ATOM 0 HB2 ASP A 38 -1.513 -18.080 8.840 1.00 34.10 H new ATOM 0 HB3 ASP A 38 -2.597 -16.908 8.118 1.00 34.10 H new ATOM 621 N GLU A 39 -0.879 -17.122 4.594 1.00 72.45 N ATOM 622 CA GLU A 39 -1.222 -16.641 3.234 1.00 31.32 C ATOM 623 C GLU A 39 -2.739 -16.504 2.981 1.00 31.53 C ATOM 624 O GLU A 39 -3.157 -15.635 2.211 1.00 10.22 O ATOM 625 CB GLU A 39 -0.582 -17.558 2.141 1.00 12.02 C ATOM 626 CG GLU A 39 0.950 -17.403 1.970 1.00 11.41 C ATOM 627 CD GLU A 39 1.783 -17.718 3.228 1.00 0.41 C ATOM 628 OE1 GLU A 39 2.063 -18.906 3.481 1.00 5.53 O ATOM 629 OE2 GLU A 39 2.164 -16.781 3.966 1.00 13.21 O ATOM 0 H GLU A 39 -0.297 -17.960 4.583 1.00 72.45 H new ATOM 0 HA GLU A 39 -0.804 -15.636 3.168 1.00 31.32 H new ATOM 0 HB2 GLU A 39 -0.802 -18.597 2.386 1.00 12.02 H new ATOM 0 HB3 GLU A 39 -1.062 -17.348 1.185 1.00 12.02 H new ATOM 0 HG2 GLU A 39 1.278 -18.058 1.163 1.00 11.41 H new ATOM 0 HG3 GLU A 39 1.164 -16.381 1.658 1.00 11.41 H new ATOM 636 N LYS A 40 -3.560 -17.358 3.620 1.00 23.51 N ATOM 637 CA LYS A 40 -5.019 -17.351 3.391 1.00 22.30 C ATOM 638 C LYS A 40 -5.689 -16.240 4.208 1.00 54.14 C ATOM 639 O LYS A 40 -6.617 -15.584 3.721 1.00 60.24 O ATOM 640 CB LYS A 40 -5.639 -18.746 3.676 1.00 41.54 C ATOM 641 CG LYS A 40 -5.145 -19.905 2.755 1.00 50.34 C ATOM 642 CD LYS A 40 -5.480 -19.730 1.234 1.00 44.42 C ATOM 643 CE LYS A 40 -4.443 -18.899 0.450 1.00 72.02 C ATOM 644 NZ LYS A 40 -4.834 -18.699 -0.965 1.00 31.04 N ATOM 0 H LYS A 40 -3.243 -18.056 4.293 1.00 23.51 H new ATOM 0 HA LYS A 40 -5.202 -17.135 2.338 1.00 22.30 H new ATOM 0 HB2 LYS A 40 -5.427 -19.013 4.711 1.00 41.54 H new ATOM 0 HB3 LYS A 40 -6.722 -18.668 3.582 1.00 41.54 H new ATOM 0 HG2 LYS A 40 -4.065 -20.001 2.865 1.00 50.34 H new ATOM 0 HG3 LYS A 40 -5.586 -20.839 3.104 1.00 50.34 H new ATOM 0 HD2 LYS A 40 -5.561 -20.716 0.775 1.00 44.42 H new ATOM 0 HD3 LYS A 40 -6.456 -19.254 1.141 1.00 44.42 H new ATOM 0 HE2 LYS A 40 -4.320 -17.929 0.931 1.00 72.02 H new ATOM 0 HE3 LYS A 40 -3.475 -19.399 0.490 1.00 72.02 H new ATOM 0 HZ1 LYS A 40 -4.618 -17.723 -1.250 1.00 31.04 H new ATOM 0 HZ2 LYS A 40 -4.305 -19.361 -1.568 1.00 31.04 H new ATOM 0 HZ3 LYS A 40 -5.854 -18.873 -1.071 1.00 31.04 H new ATOM 658 N ARG A 41 -5.177 -16.006 5.428 1.00 1.40 N ATOM 659 CA ARG A 41 -5.618 -14.896 6.293 1.00 13.53 C ATOM 660 C ARG A 41 -5.248 -13.540 5.646 1.00 3.03 C ATOM 661 O ARG A 41 -6.039 -12.585 5.645 1.00 31.32 O ATOM 662 CB ARG A 41 -4.974 -15.037 7.698 1.00 21.44 C ATOM 663 CG ARG A 41 -5.444 -16.270 8.505 1.00 22.40 C ATOM 664 CD ARG A 41 -6.961 -16.252 8.759 1.00 62.52 C ATOM 665 NE ARG A 41 -7.445 -17.416 9.520 1.00 23.34 N ATOM 666 CZ ARG A 41 -8.646 -18.005 9.348 1.00 12.01 C ATOM 667 NH1 ARG A 41 -9.515 -17.557 8.439 1.00 61.34 N ATOM 668 NH2 ARG A 41 -8.975 -19.025 10.115 1.00 51.51 N ATOM 0 H ARG A 41 -4.445 -16.581 5.844 1.00 1.40 H new ATOM 0 HA ARG A 41 -6.701 -14.933 6.406 1.00 13.53 H new ATOM 0 HB2 ARG A 41 -3.891 -15.087 7.583 1.00 21.44 H new ATOM 0 HB3 ARG A 41 -5.192 -14.138 8.274 1.00 21.44 H new ATOM 0 HG2 ARG A 41 -5.178 -17.179 7.965 1.00 22.40 H new ATOM 0 HG3 ARG A 41 -4.918 -16.300 9.459 1.00 22.40 H new ATOM 0 HD2 ARG A 41 -7.220 -15.342 9.300 1.00 62.52 H new ATOM 0 HD3 ARG A 41 -7.481 -16.213 7.802 1.00 62.52 H new ATOM 0 HE ARG A 41 -6.826 -17.806 10.230 1.00 23.34 H new ATOM 0 HH11 ARG A 41 -9.276 -16.754 7.857 1.00 61.34 H new ATOM 0 HH12 ARG A 41 -10.418 -18.018 8.326 1.00 61.34 H new ATOM 0 HH21 ARG A 41 -8.325 -19.359 10.827 1.00 51.51 H new ATOM 0 HH22 ARG A 41 -9.880 -19.481 9.997 1.00 51.51 H new ATOM 682 N LEU A 42 -4.036 -13.512 5.081 1.00 43.35 N ATOM 683 CA LEU A 42 -3.507 -12.422 4.239 1.00 64.10 C ATOM 684 C LEU A 42 -4.495 -12.097 3.088 1.00 2.44 C ATOM 685 O LEU A 42 -4.823 -10.931 2.840 1.00 61.33 O ATOM 686 CB LEU A 42 -2.112 -12.919 3.715 1.00 35.14 C ATOM 687 CG LEU A 42 -1.153 -11.938 2.956 1.00 31.14 C ATOM 688 CD1 LEU A 42 0.286 -12.504 2.923 1.00 42.44 C ATOM 689 CD2 LEU A 42 -1.620 -11.667 1.521 1.00 74.25 C ATOM 0 H LEU A 42 -3.368 -14.274 5.199 1.00 43.35 H new ATOM 0 HA LEU A 42 -3.389 -11.492 4.794 1.00 64.10 H new ATOM 0 HB2 LEU A 42 -1.564 -13.304 4.575 1.00 35.14 H new ATOM 0 HB3 LEU A 42 -2.299 -13.764 3.052 1.00 35.14 H new ATOM 0 HG LEU A 42 -1.169 -10.995 3.503 1.00 31.14 H new ATOM 0 HD11 LEU A 42 0.938 -11.810 2.392 1.00 42.44 H new ATOM 0 HD12 LEU A 42 0.649 -12.635 3.942 1.00 42.44 H new ATOM 0 HD13 LEU A 42 0.287 -13.466 2.411 1.00 42.44 H new ATOM 0 HD21 LEU A 42 -0.925 -10.982 1.035 1.00 74.25 H new ATOM 0 HD22 LEU A 42 -1.653 -12.605 0.966 1.00 74.25 H new ATOM 0 HD23 LEU A 42 -2.614 -11.221 1.540 1.00 74.25 H new ATOM 701 N GLU A 43 -4.991 -13.166 2.438 1.00 40.13 N ATOM 702 CA GLU A 43 -5.824 -13.093 1.224 1.00 34.12 C ATOM 703 C GLU A 43 -7.254 -12.585 1.517 1.00 72.14 C ATOM 704 O GLU A 43 -7.848 -11.895 0.676 1.00 3.23 O ATOM 705 CB GLU A 43 -5.843 -14.488 0.561 1.00 61.34 C ATOM 706 CG GLU A 43 -6.518 -14.548 -0.822 1.00 74.22 C ATOM 707 CD GLU A 43 -6.412 -15.939 -1.448 1.00 41.45 C ATOM 708 OE1 GLU A 43 -7.235 -16.812 -1.114 1.00 14.51 O ATOM 709 OE2 GLU A 43 -5.479 -16.183 -2.243 1.00 14.23 O ATOM 0 H GLU A 43 -4.821 -14.123 2.748 1.00 40.13 H new ATOM 0 HA GLU A 43 -5.389 -12.363 0.541 1.00 34.12 H new ATOM 0 HB2 GLU A 43 -4.816 -14.839 0.462 1.00 61.34 H new ATOM 0 HB3 GLU A 43 -6.354 -15.182 1.228 1.00 61.34 H new ATOM 0 HG2 GLU A 43 -7.568 -14.272 -0.726 1.00 74.22 H new ATOM 0 HG3 GLU A 43 -6.056 -13.816 -1.484 1.00 74.22 H new ATOM 716 N GLU A 44 -7.787 -12.896 2.722 1.00 53.21 N ATOM 717 CA GLU A 44 -9.128 -12.428 3.153 1.00 64.23 C ATOM 718 C GLU A 44 -9.132 -10.901 3.271 1.00 34.15 C ATOM 719 O GLU A 44 -10.075 -10.226 2.834 1.00 2.25 O ATOM 720 CB GLU A 44 -9.538 -13.066 4.510 1.00 74.44 C ATOM 721 CG GLU A 44 -9.612 -14.604 4.495 1.00 12.44 C ATOM 722 CD GLU A 44 -10.063 -15.204 5.832 1.00 44.41 C ATOM 723 OE1 GLU A 44 -9.331 -15.051 6.831 1.00 3.35 O ATOM 724 OE2 GLU A 44 -11.149 -15.829 5.898 1.00 52.15 O ATOM 0 H GLU A 44 -7.308 -13.471 3.415 1.00 53.21 H new ATOM 0 HA GLU A 44 -9.854 -12.737 2.401 1.00 64.23 H new ATOM 0 HB2 GLU A 44 -8.824 -12.756 5.273 1.00 74.44 H new ATOM 0 HB3 GLU A 44 -10.510 -12.671 4.804 1.00 74.44 H new ATOM 0 HG2 GLU A 44 -10.302 -14.920 3.712 1.00 12.44 H new ATOM 0 HG3 GLU A 44 -8.632 -15.005 4.237 1.00 12.44 H new ATOM 731 N LYS A 45 -8.033 -10.371 3.833 1.00 50.45 N ATOM 732 CA LYS A 45 -7.834 -8.931 3.986 1.00 24.52 C ATOM 733 C LYS A 45 -7.652 -8.246 2.611 1.00 71.53 C ATOM 734 O LYS A 45 -8.099 -7.108 2.424 1.00 0.12 O ATOM 735 CB LYS A 45 -6.629 -8.650 4.907 1.00 40.43 C ATOM 736 CG LYS A 45 -6.378 -7.150 5.172 1.00 3.20 C ATOM 737 CD LYS A 45 -7.553 -6.425 5.887 1.00 54.34 C ATOM 738 CE LYS A 45 -7.690 -6.838 7.357 1.00 21.02 C ATOM 739 NZ LYS A 45 -6.438 -6.578 8.114 1.00 1.54 N ATOM 0 H LYS A 45 -7.261 -10.933 4.192 1.00 50.45 H new ATOM 0 HA LYS A 45 -8.726 -8.510 4.450 1.00 24.52 H new ATOM 0 HB2 LYS A 45 -6.787 -9.155 5.860 1.00 40.43 H new ATOM 0 HB3 LYS A 45 -5.734 -9.084 4.461 1.00 40.43 H new ATOM 0 HG2 LYS A 45 -5.478 -7.045 5.778 1.00 3.20 H new ATOM 0 HG3 LYS A 45 -6.183 -6.652 4.222 1.00 3.20 H new ATOM 0 HD2 LYS A 45 -7.400 -5.347 5.828 1.00 54.34 H new ATOM 0 HD3 LYS A 45 -8.483 -6.644 5.363 1.00 54.34 H new ATOM 0 HE2 LYS A 45 -8.514 -6.290 7.815 1.00 21.02 H new ATOM 0 HE3 LYS A 45 -7.939 -7.897 7.417 1.00 21.02 H new ATOM 0 HZ1 LYS A 45 -6.630 -6.641 9.134 1.00 1.54 H new ATOM 0 HZ2 LYS A 45 -5.721 -7.285 7.852 1.00 1.54 H new ATOM 0 HZ3 LYS A 45 -6.086 -5.627 7.886 1.00 1.54 H new ATOM 753 N ILE A 46 -7.034 -8.969 1.646 1.00 1.24 N ATOM 754 CA ILE A 46 -6.908 -8.498 0.254 1.00 52.42 C ATOM 755 C ILE A 46 -8.316 -8.245 -0.336 1.00 53.21 C ATOM 756 O ILE A 46 -8.547 -7.215 -0.962 1.00 23.33 O ATOM 757 CB ILE A 46 -6.098 -9.515 -0.654 1.00 45.53 C ATOM 758 CG1 ILE A 46 -4.617 -9.642 -0.163 1.00 32.54 C ATOM 759 CG2 ILE A 46 -6.149 -9.122 -2.152 1.00 30.11 C ATOM 760 CD1 ILE A 46 -3.715 -10.501 -1.034 1.00 20.00 C ATOM 0 H ILE A 46 -6.615 -9.884 1.812 1.00 1.24 H new ATOM 0 HA ILE A 46 -6.342 -7.567 0.266 1.00 52.42 H new ATOM 0 HB ILE A 46 -6.579 -10.488 -0.558 1.00 45.53 H new ATOM 0 HG12 ILE A 46 -4.186 -8.643 -0.097 1.00 32.54 H new ATOM 0 HG13 ILE A 46 -4.620 -10.055 0.846 1.00 32.54 H new ATOM 0 HG21 ILE A 46 -5.581 -9.845 -2.737 1.00 30.11 H new ATOM 0 HG22 ILE A 46 -7.185 -9.114 -2.491 1.00 30.11 H new ATOM 0 HG23 ILE A 46 -5.717 -8.130 -2.283 1.00 30.11 H new ATOM 0 HD11 ILE A 46 -2.712 -10.524 -0.608 1.00 20.00 H new ATOM 0 HD12 ILE A 46 -4.113 -11.515 -1.081 1.00 20.00 H new ATOM 0 HD13 ILE A 46 -3.672 -10.081 -2.039 1.00 20.00 H new ATOM 772 N GLN A 47 -9.264 -9.171 -0.045 1.00 62.23 N ATOM 773 CA GLN A 47 -10.660 -9.078 -0.533 1.00 4.54 C ATOM 774 C GLN A 47 -11.390 -7.879 0.098 1.00 65.52 C ATOM 775 O GLN A 47 -12.173 -7.201 -0.576 1.00 53.44 O ATOM 776 CB GLN A 47 -11.453 -10.383 -0.235 1.00 55.22 C ATOM 777 CG GLN A 47 -10.776 -11.696 -0.686 1.00 23.13 C ATOM 778 CD GLN A 47 -10.195 -11.651 -2.103 1.00 53.54 C ATOM 779 OE1 GLN A 47 -10.880 -11.925 -3.087 1.00 44.15 O ATOM 780 NE2 GLN A 47 -8.913 -11.347 -2.212 1.00 31.32 N ATOM 0 H GLN A 47 -9.083 -9.995 0.529 1.00 62.23 H new ATOM 0 HA GLN A 47 -10.611 -8.936 -1.613 1.00 4.54 H new ATOM 0 HB2 GLN A 47 -11.634 -10.439 0.838 1.00 55.22 H new ATOM 0 HB3 GLN A 47 -12.427 -10.313 -0.719 1.00 55.22 H new ATOM 0 HG2 GLN A 47 -9.977 -11.938 0.014 1.00 23.13 H new ATOM 0 HG3 GLN A 47 -11.505 -12.505 -0.630 1.00 23.13 H new ATOM 0 HE21 GLN A 47 -8.369 -11.124 -1.378 1.00 31.32 H new ATOM 0 HE22 GLN A 47 -8.468 -11.336 -3.130 1.00 31.32 H new ATOM 789 N LYS A 48 -11.116 -7.638 1.398 1.00 15.11 N ATOM 790 CA LYS A 48 -11.691 -6.507 2.155 1.00 41.25 C ATOM 791 C LYS A 48 -11.309 -5.153 1.527 1.00 4.42 C ATOM 792 O LYS A 48 -12.156 -4.276 1.323 1.00 72.23 O ATOM 793 CB LYS A 48 -11.211 -6.555 3.635 1.00 30.51 C ATOM 794 CG LYS A 48 -11.660 -7.783 4.476 1.00 32.54 C ATOM 795 CD LYS A 48 -13.195 -7.838 4.782 1.00 14.20 C ATOM 796 CE LYS A 48 -14.044 -8.448 3.651 1.00 72.53 C ATOM 797 NZ LYS A 48 -15.492 -8.470 3.975 1.00 13.12 N ATOM 0 H LYS A 48 -10.490 -8.223 1.952 1.00 15.11 H new ATOM 0 HA LYS A 48 -12.776 -6.602 2.120 1.00 41.25 H new ATOM 0 HB2 LYS A 48 -10.122 -6.519 3.641 1.00 30.51 H new ATOM 0 HB3 LYS A 48 -11.562 -5.653 4.136 1.00 30.51 H new ATOM 0 HG2 LYS A 48 -11.376 -8.693 3.947 1.00 32.54 H new ATOM 0 HG3 LYS A 48 -11.115 -7.779 5.420 1.00 32.54 H new ATOM 0 HD2 LYS A 48 -13.352 -8.418 5.692 1.00 14.20 H new ATOM 0 HD3 LYS A 48 -13.550 -6.827 4.983 1.00 14.20 H new ATOM 0 HE2 LYS A 48 -13.889 -7.877 2.736 1.00 72.53 H new ATOM 0 HE3 LYS A 48 -13.704 -9.465 3.454 1.00 72.53 H new ATOM 0 HZ1 LYS A 48 -16.019 -8.890 3.182 1.00 13.12 H new ATOM 0 HZ2 LYS A 48 -15.647 -9.037 4.833 1.00 13.12 H new ATOM 0 HZ3 LYS A 48 -15.826 -7.499 4.137 1.00 13.12 H new ATOM 811 N LEU A 49 -10.019 -5.018 1.201 1.00 10.25 N ATOM 812 CA LEU A 49 -9.445 -3.765 0.701 1.00 5.55 C ATOM 813 C LEU A 49 -9.744 -3.556 -0.799 1.00 11.33 C ATOM 814 O LEU A 49 -9.896 -2.415 -1.235 1.00 52.13 O ATOM 815 CB LEU A 49 -7.931 -3.753 0.978 1.00 61.13 C ATOM 816 CG LEU A 49 -7.504 -3.876 2.466 1.00 4.44 C ATOM 817 CD1 LEU A 49 -5.979 -4.005 2.588 1.00 14.22 C ATOM 818 CD2 LEU A 49 -8.027 -2.694 3.286 1.00 13.42 C ATOM 0 H LEU A 49 -9.342 -5.777 1.277 1.00 10.25 H new ATOM 0 HA LEU A 49 -9.911 -2.933 1.228 1.00 5.55 H new ATOM 0 HB2 LEU A 49 -7.475 -4.572 0.422 1.00 61.13 H new ATOM 0 HB3 LEU A 49 -7.517 -2.827 0.578 1.00 61.13 H new ATOM 0 HG LEU A 49 -7.950 -4.784 2.872 1.00 4.44 H new ATOM 0 HD11 LEU A 49 -5.704 -4.090 3.639 1.00 14.22 H new ATOM 0 HD12 LEU A 49 -5.645 -4.894 2.053 1.00 14.22 H new ATOM 0 HD13 LEU A 49 -5.504 -3.123 2.159 1.00 14.22 H new ATOM 0 HD21 LEU A 49 -7.714 -2.805 4.324 1.00 13.42 H new ATOM 0 HD22 LEU A 49 -7.624 -1.765 2.883 1.00 13.42 H new ATOM 0 HD23 LEU A 49 -9.116 -2.670 3.236 1.00 13.42 H new ATOM 830 N LYS A 50 -9.842 -4.658 -1.581 1.00 33.43 N ATOM 831 CA LYS A 50 -10.255 -4.602 -3.009 1.00 4.10 C ATOM 832 C LYS A 50 -11.717 -4.140 -3.133 1.00 53.34 C ATOM 833 O LYS A 50 -12.058 -3.391 -4.055 1.00 23.32 O ATOM 834 CB LYS A 50 -10.079 -5.983 -3.708 1.00 1.40 C ATOM 835 CG LYS A 50 -8.610 -6.383 -4.006 1.00 24.04 C ATOM 836 CD LYS A 50 -8.496 -7.779 -4.671 1.00 64.11 C ATOM 837 CE LYS A 50 -9.238 -7.880 -6.020 1.00 32.22 C ATOM 838 NZ LYS A 50 -8.739 -6.898 -7.021 1.00 0.31 N ATOM 0 H LYS A 50 -9.640 -5.601 -1.248 1.00 33.43 H new ATOM 0 HA LYS A 50 -9.607 -3.880 -3.507 1.00 4.10 H new ATOM 0 HB2 LYS A 50 -10.529 -6.752 -3.080 1.00 1.40 H new ATOM 0 HB3 LYS A 50 -10.635 -5.972 -4.646 1.00 1.40 H new ATOM 0 HG2 LYS A 50 -8.159 -5.636 -4.659 1.00 24.04 H new ATOM 0 HG3 LYS A 50 -8.041 -6.380 -3.077 1.00 24.04 H new ATOM 0 HD2 LYS A 50 -7.443 -8.014 -4.826 1.00 64.11 H new ATOM 0 HD3 LYS A 50 -8.893 -8.531 -3.989 1.00 64.11 H new ATOM 0 HE2 LYS A 50 -9.125 -8.888 -6.418 1.00 32.22 H new ATOM 0 HE3 LYS A 50 -10.304 -7.719 -5.858 1.00 32.22 H new ATOM 0 HZ1 LYS A 50 -9.246 -7.030 -7.919 1.00 0.31 H new ATOM 0 HZ2 LYS A 50 -8.901 -5.932 -6.670 1.00 0.31 H new ATOM 0 HZ3 LYS A 50 -7.721 -7.045 -7.174 1.00 0.31 H new ATOM 852 N SER A 51 -12.568 -4.603 -2.193 1.00 22.55 N ATOM 853 CA SER A 51 -13.967 -4.157 -2.077 1.00 33.42 C ATOM 854 C SER A 51 -14.051 -2.639 -1.793 1.00 51.33 C ATOM 855 O SER A 51 -14.983 -1.969 -2.241 1.00 25.41 O ATOM 856 CB SER A 51 -14.675 -4.951 -0.961 1.00 64.25 C ATOM 857 OG SER A 51 -16.051 -4.619 -0.879 1.00 2.22 O ATOM 0 H SER A 51 -12.301 -5.297 -1.494 1.00 22.55 H new ATOM 0 HA SER A 51 -14.467 -4.345 -3.027 1.00 33.42 H new ATOM 0 HB2 SER A 51 -14.568 -6.019 -1.149 1.00 64.25 H new ATOM 0 HB3 SER A 51 -14.193 -4.746 -0.005 1.00 64.25 H new ATOM 0 HG SER A 51 -16.471 -5.140 -0.163 1.00 2.22 H new ATOM 863 N GLN A 52 -13.057 -2.121 -1.043 1.00 11.01 N ATOM 864 CA GLN A 52 -12.914 -0.678 -0.745 1.00 42.20 C ATOM 865 C GLN A 52 -12.274 0.092 -1.920 1.00 13.30 C ATOM 866 O GLN A 52 -12.242 1.326 -1.897 1.00 72.32 O ATOM 867 CB GLN A 52 -12.066 -0.484 0.533 1.00 11.51 C ATOM 868 CG GLN A 52 -12.733 -0.974 1.823 1.00 51.12 C ATOM 869 CD GLN A 52 -11.833 -0.809 3.039 1.00 55.22 C ATOM 870 OE1 GLN A 52 -11.834 0.231 3.699 1.00 43.34 O ATOM 871 NE2 GLN A 52 -11.054 -1.820 3.338 1.00 34.13 N ATOM 0 H GLN A 52 -12.325 -2.695 -0.624 1.00 11.01 H new ATOM 0 HA GLN A 52 -13.914 -0.274 -0.588 1.00 42.20 H new ATOM 0 HB2 GLN A 52 -11.119 -1.009 0.408 1.00 11.51 H new ATOM 0 HB3 GLN A 52 -11.832 0.575 0.640 1.00 11.51 H new ATOM 0 HG2 GLN A 52 -13.659 -0.422 1.982 1.00 51.12 H new ATOM 0 HG3 GLN A 52 -13.002 -2.024 1.713 1.00 51.12 H new ATOM 0 HE21 GLN A 52 -11.078 -2.667 2.771 1.00 34.13 H new ATOM 0 HE22 GLN A 52 -10.424 -1.759 4.138 1.00 34.13 H new ATOM 880 N GLY A 53 -11.733 -0.642 -2.913 1.00 75.13 N ATOM 881 CA GLY A 53 -11.219 -0.044 -4.153 1.00 1.52 C ATOM 882 C GLY A 53 -9.717 0.208 -4.140 1.00 23.55 C ATOM 883 O GLY A 53 -9.236 1.109 -4.819 1.00 11.41 O ATOM 0 H GLY A 53 -11.642 -1.657 -2.875 1.00 75.13 H new ATOM 0 HA2 GLY A 53 -11.460 -0.701 -4.989 1.00 1.52 H new ATOM 0 HA3 GLY A 53 -11.734 0.900 -4.330 1.00 1.52 H new ATOM 887 N PHE A 54 -8.976 -0.580 -3.359 1.00 23.00 N ATOM 888 CA PHE A 54 -7.498 -0.530 -3.318 1.00 44.35 C ATOM 889 C PHE A 54 -6.937 -1.673 -4.168 1.00 52.13 C ATOM 890 O PHE A 54 -7.471 -2.792 -4.120 1.00 2.35 O ATOM 891 CB PHE A 54 -6.988 -0.661 -1.855 1.00 30.54 C ATOM 892 CG PHE A 54 -7.464 0.457 -0.935 1.00 50.04 C ATOM 893 CD1 PHE A 54 -6.956 1.746 -1.075 1.00 50.20 C ATOM 894 CD2 PHE A 54 -8.430 0.231 0.050 1.00 20.13 C ATOM 895 CE1 PHE A 54 -7.390 2.766 -0.257 1.00 41.31 C ATOM 896 CE2 PHE A 54 -8.862 1.256 0.868 1.00 14.13 C ATOM 897 CZ PHE A 54 -8.344 2.523 0.710 1.00 4.33 C ATOM 0 H PHE A 54 -9.378 -1.277 -2.731 1.00 23.00 H new ATOM 0 HA PHE A 54 -7.161 0.428 -3.714 1.00 44.35 H new ATOM 0 HB2 PHE A 54 -7.318 -1.618 -1.450 1.00 30.54 H new ATOM 0 HB3 PHE A 54 -5.898 -0.675 -1.860 1.00 30.54 H new ATOM 0 HD1 PHE A 54 -6.214 1.948 -1.833 1.00 50.20 H new ATOM 0 HD2 PHE A 54 -8.844 -0.759 0.173 1.00 20.13 H new ATOM 0 HE1 PHE A 54 -6.982 3.759 -0.373 1.00 41.31 H new ATOM 0 HE2 PHE A 54 -9.604 1.065 1.629 1.00 14.13 H new ATOM 0 HZ PHE A 54 -8.685 3.328 1.344 1.00 4.33 H new ATOM 907 N GLU A 55 -5.873 -1.396 -4.950 1.00 14.42 N ATOM 908 CA GLU A 55 -5.181 -2.429 -5.740 1.00 70.03 C ATOM 909 C GLU A 55 -4.200 -3.188 -4.835 1.00 11.20 C ATOM 910 O GLU A 55 -3.051 -2.782 -4.651 1.00 43.35 O ATOM 911 CB GLU A 55 -4.464 -1.818 -6.973 1.00 64.33 C ATOM 912 CG GLU A 55 -5.417 -1.172 -8.002 1.00 64.04 C ATOM 913 CD GLU A 55 -4.775 -0.966 -9.381 1.00 23.01 C ATOM 914 OE1 GLU A 55 -4.633 -1.962 -10.123 1.00 24.43 O ATOM 915 OE2 GLU A 55 -4.433 0.181 -9.746 1.00 54.12 O ATOM 0 H GLU A 55 -5.475 -0.462 -5.050 1.00 14.42 H new ATOM 0 HA GLU A 55 -5.919 -3.131 -6.127 1.00 70.03 H new ATOM 0 HB2 GLU A 55 -3.753 -1.066 -6.630 1.00 64.33 H new ATOM 0 HB3 GLU A 55 -3.888 -2.599 -7.468 1.00 64.33 H new ATOM 0 HG2 GLU A 55 -6.301 -1.800 -8.111 1.00 64.04 H new ATOM 0 HG3 GLU A 55 -5.755 -0.209 -7.619 1.00 64.04 H new ATOM 922 N VAL A 56 -4.691 -4.272 -4.231 1.00 11.14 N ATOM 923 CA VAL A 56 -3.945 -5.040 -3.225 1.00 55.21 C ATOM 924 C VAL A 56 -3.292 -6.249 -3.882 1.00 74.44 C ATOM 925 O VAL A 56 -3.940 -6.963 -4.651 1.00 21.35 O ATOM 926 CB VAL A 56 -4.874 -5.527 -2.062 1.00 62.24 C ATOM 927 CG1 VAL A 56 -4.050 -6.057 -0.860 1.00 34.41 C ATOM 928 CG2 VAL A 56 -5.817 -4.405 -1.637 1.00 63.41 C ATOM 0 H VAL A 56 -5.620 -4.645 -4.425 1.00 11.14 H new ATOM 0 HA VAL A 56 -3.185 -4.382 -2.803 1.00 55.21 H new ATOM 0 HB VAL A 56 -5.473 -6.360 -2.430 1.00 62.24 H new ATOM 0 HG11 VAL A 56 -4.727 -6.386 -0.072 1.00 34.41 H new ATOM 0 HG12 VAL A 56 -3.434 -6.896 -1.183 1.00 34.41 H new ATOM 0 HG13 VAL A 56 -3.409 -5.262 -0.479 1.00 34.41 H new ATOM 0 HG21 VAL A 56 -6.458 -4.755 -0.828 1.00 63.41 H new ATOM 0 HG22 VAL A 56 -5.234 -3.550 -1.294 1.00 63.41 H new ATOM 0 HG23 VAL A 56 -6.433 -4.107 -2.485 1.00 63.41 H new ATOM 938 N ARG A 57 -2.019 -6.480 -3.566 1.00 11.04 N ATOM 939 CA ARG A 57 -1.248 -7.603 -4.097 1.00 40.33 C ATOM 940 C ARG A 57 -0.582 -8.378 -2.963 1.00 42.24 C ATOM 941 O ARG A 57 -0.338 -7.839 -1.866 1.00 75.31 O ATOM 942 CB ARG A 57 -0.201 -7.117 -5.146 1.00 3.54 C ATOM 943 CG ARG A 57 -0.811 -6.662 -6.494 1.00 4.44 C ATOM 944 CD ARG A 57 -1.659 -7.766 -7.162 1.00 41.41 C ATOM 945 NE ARG A 57 -0.889 -9.030 -7.326 1.00 12.42 N ATOM 946 CZ ARG A 57 -1.244 -10.232 -6.827 1.00 22.24 C ATOM 947 NH1 ARG A 57 -2.368 -10.372 -6.130 1.00 30.01 N ATOM 948 NH2 ARG A 57 -0.442 -11.284 -6.993 1.00 72.13 N ATOM 0 H ARG A 57 -1.488 -5.887 -2.928 1.00 11.04 H new ATOM 0 HA ARG A 57 -1.933 -8.279 -4.609 1.00 40.33 H new ATOM 0 HB2 ARG A 57 0.365 -6.289 -4.719 1.00 3.54 H new ATOM 0 HB3 ARG A 57 0.507 -7.924 -5.335 1.00 3.54 H new ATOM 0 HG2 ARG A 57 -1.432 -5.781 -6.329 1.00 4.44 H new ATOM 0 HG3 ARG A 57 -0.009 -6.365 -7.170 1.00 4.44 H new ATOM 0 HD2 ARG A 57 -2.547 -7.957 -6.560 1.00 41.41 H new ATOM 0 HD3 ARG A 57 -2.003 -7.421 -8.137 1.00 41.41 H new ATOM 0 HE ARG A 57 -0.021 -8.983 -7.860 1.00 12.42 H new ATOM 0 HH11 ARG A 57 -2.971 -9.566 -5.968 1.00 30.01 H new ATOM 0 HH12 ARG A 57 -2.627 -11.286 -5.757 1.00 30.01 H new ATOM 0 HH21 ARG A 57 0.439 -11.179 -7.497 1.00 72.13 H new ATOM 0 HH22 ARG A 57 -0.709 -12.193 -6.616 1.00 72.13 H new ATOM 962 N LYS A 58 -0.305 -9.651 -3.252 1.00 10.42 N ATOM 963 CA LYS A 58 0.284 -10.602 -2.312 1.00 51.12 C ATOM 964 C LYS A 58 1.815 -10.579 -2.500 1.00 74.21 C ATOM 965 O LYS A 58 2.294 -10.631 -3.636 1.00 13.34 O ATOM 966 CB LYS A 58 -0.329 -12.018 -2.606 1.00 4.53 C ATOM 967 CG LYS A 58 -0.163 -13.097 -1.504 1.00 34.53 C ATOM 968 CD LYS A 58 1.276 -13.637 -1.357 1.00 42.34 C ATOM 969 CE LYS A 58 1.456 -14.507 -0.113 1.00 4.01 C ATOM 970 NZ LYS A 58 2.878 -14.880 0.103 1.00 12.13 N ATOM 0 H LYS A 58 -0.489 -10.057 -4.169 1.00 10.42 H new ATOM 0 HA LYS A 58 0.067 -10.345 -1.275 1.00 51.12 H new ATOM 0 HB2 LYS A 58 -1.394 -11.893 -2.801 1.00 4.53 H new ATOM 0 HB3 LYS A 58 0.120 -12.398 -3.524 1.00 4.53 H new ATOM 0 HG2 LYS A 58 -0.480 -12.677 -0.550 1.00 34.53 H new ATOM 0 HG3 LYS A 58 -0.831 -13.930 -1.724 1.00 34.53 H new ATOM 0 HD2 LYS A 58 1.534 -14.218 -2.242 1.00 42.34 H new ATOM 0 HD3 LYS A 58 1.971 -12.799 -1.313 1.00 42.34 H new ATOM 0 HE2 LYS A 58 1.085 -13.972 0.761 1.00 4.01 H new ATOM 0 HE3 LYS A 58 0.855 -15.411 -0.212 1.00 4.01 H new ATOM 0 HZ1 LYS A 58 2.967 -15.916 0.117 1.00 12.13 H new ATOM 0 HZ2 LYS A 58 3.459 -14.493 -0.668 1.00 12.13 H new ATOM 0 HZ3 LYS A 58 3.205 -14.492 1.011 1.00 12.13 H new ATOM 984 N VAL A 59 2.567 -10.490 -1.388 1.00 74.01 N ATOM 985 CA VAL A 59 4.041 -10.615 -1.373 1.00 61.12 C ATOM 986 C VAL A 59 4.450 -11.742 -0.414 1.00 52.12 C ATOM 987 O VAL A 59 3.734 -12.027 0.561 1.00 42.11 O ATOM 988 CB VAL A 59 4.752 -9.263 -0.964 1.00 60.13 C ATOM 989 CG1 VAL A 59 4.644 -8.211 -2.095 1.00 63.22 C ATOM 990 CG2 VAL A 59 4.185 -8.711 0.374 1.00 4.12 C ATOM 0 H VAL A 59 2.167 -10.328 -0.464 1.00 74.01 H new ATOM 0 HA VAL A 59 4.366 -10.853 -2.386 1.00 61.12 H new ATOM 0 HB VAL A 59 5.810 -9.478 -0.810 1.00 60.13 H new ATOM 0 HG11 VAL A 59 5.142 -7.292 -1.786 1.00 63.22 H new ATOM 0 HG12 VAL A 59 5.120 -8.596 -2.997 1.00 63.22 H new ATOM 0 HG13 VAL A 59 3.594 -8.004 -2.300 1.00 63.22 H new ATOM 0 HG21 VAL A 59 4.694 -7.781 0.629 1.00 4.12 H new ATOM 0 HG22 VAL A 59 3.117 -8.523 0.266 1.00 4.12 H new ATOM 0 HG23 VAL A 59 4.347 -9.442 1.167 1.00 4.12 H new ATOM 1000 N LYS A 60 5.583 -12.400 -0.709 1.00 5.50 N ATOM 1001 CA LYS A 60 6.109 -13.493 0.131 1.00 13.32 C ATOM 1002 C LYS A 60 6.818 -12.929 1.369 1.00 35.43 C ATOM 1003 O LYS A 60 6.765 -13.544 2.440 1.00 41.00 O ATOM 1004 CB LYS A 60 7.052 -14.433 -0.681 1.00 74.30 C ATOM 1005 CG LYS A 60 8.369 -13.796 -1.164 1.00 14.34 C ATOM 1006 CD LYS A 60 9.216 -14.719 -2.070 1.00 30.31 C ATOM 1007 CE LYS A 60 8.521 -15.080 -3.396 1.00 32.33 C ATOM 1008 NZ LYS A 60 8.222 -13.884 -4.235 1.00 33.22 N ATOM 0 H LYS A 60 6.156 -12.194 -1.527 1.00 5.50 H new ATOM 0 HA LYS A 60 5.264 -14.094 0.467 1.00 13.32 H new ATOM 0 HB2 LYS A 60 7.292 -15.299 -0.064 1.00 74.30 H new ATOM 0 HB3 LYS A 60 6.507 -14.802 -1.550 1.00 74.30 H new ATOM 0 HG2 LYS A 60 8.140 -12.880 -1.708 1.00 14.34 H new ATOM 0 HG3 LYS A 60 8.963 -13.511 -0.296 1.00 14.34 H new ATOM 0 HD2 LYS A 60 10.166 -14.230 -2.287 1.00 30.31 H new ATOM 0 HD3 LYS A 60 9.446 -15.636 -1.528 1.00 30.31 H new ATOM 0 HE2 LYS A 60 9.156 -15.764 -3.959 1.00 32.33 H new ATOM 0 HE3 LYS A 60 7.593 -15.610 -3.182 1.00 32.33 H new ATOM 0 HZ1 LYS A 60 7.881 -14.191 -5.168 1.00 33.22 H new ATOM 0 HZ2 LYS A 60 7.491 -13.308 -3.771 1.00 33.22 H new ATOM 0 HZ3 LYS A 60 9.086 -13.317 -4.352 1.00 33.22 H new ATOM 1022 N ASP A 61 7.454 -11.742 1.211 1.00 61.22 N ATOM 1023 CA ASP A 61 8.154 -11.047 2.311 1.00 22.42 C ATOM 1024 C ASP A 61 8.571 -9.620 1.877 1.00 71.24 C ATOM 1025 O ASP A 61 8.208 -9.148 0.787 1.00 42.12 O ATOM 1026 CB ASP A 61 9.394 -11.872 2.806 1.00 34.32 C ATOM 1027 CG ASP A 61 10.641 -11.738 1.914 1.00 72.33 C ATOM 1028 OD1 ASP A 61 10.537 -11.910 0.679 1.00 71.52 O ATOM 1029 OD2 ASP A 61 11.723 -11.435 2.449 1.00 4.15 O ATOM 0 H ASP A 61 7.494 -11.245 0.321 1.00 61.22 H new ATOM 0 HA ASP A 61 7.462 -10.959 3.149 1.00 22.42 H new ATOM 0 HB2 ASP A 61 9.648 -11.552 3.816 1.00 34.32 H new ATOM 0 HB3 ASP A 61 9.115 -12.924 2.865 1.00 34.32 H new ATOM 1034 N ASP A 62 9.345 -8.944 2.746 1.00 32.20 N ATOM 1035 CA ASP A 62 9.786 -7.547 2.558 1.00 24.12 C ATOM 1036 C ASP A 62 10.876 -7.413 1.464 1.00 73.41 C ATOM 1037 O ASP A 62 10.937 -6.402 0.753 1.00 2.34 O ATOM 1038 CB ASP A 62 10.295 -7.000 3.918 1.00 75.44 C ATOM 1039 CG ASP A 62 10.336 -5.471 3.974 1.00 20.00 C ATOM 1040 OD1 ASP A 62 9.256 -4.850 4.119 1.00 35.15 O ATOM 1041 OD2 ASP A 62 11.437 -4.880 3.883 1.00 12.02 O ATOM 0 H ASP A 62 9.688 -9.359 3.613 1.00 32.20 H new ATOM 0 HA ASP A 62 8.936 -6.959 2.212 1.00 24.12 H new ATOM 0 HB2 ASP A 62 9.650 -7.369 4.715 1.00 75.44 H new ATOM 0 HB3 ASP A 62 11.294 -7.391 4.109 1.00 75.44 H new ATOM 1046 N ASP A 63 11.764 -8.420 1.381 1.00 34.21 N ATOM 1047 CA ASP A 63 12.755 -8.547 0.277 1.00 74.54 C ATOM 1048 C ASP A 63 12.052 -8.612 -1.106 1.00 53.05 C ATOM 1049 O ASP A 63 12.582 -8.118 -2.118 1.00 11.02 O ATOM 1050 CB ASP A 63 13.650 -9.795 0.500 1.00 63.40 C ATOM 1051 CG ASP A 63 14.695 -10.036 -0.603 1.00 1.51 C ATOM 1052 OD1 ASP A 63 15.651 -9.237 -0.714 1.00 1.30 O ATOM 1053 OD2 ASP A 63 14.557 -11.014 -1.380 1.00 50.35 O ATOM 0 H ASP A 63 11.822 -9.170 2.070 1.00 34.21 H new ATOM 0 HA ASP A 63 13.387 -7.659 0.283 1.00 74.54 H new ATOM 0 HB2 ASP A 63 14.165 -9.691 1.455 1.00 63.40 H new ATOM 0 HB3 ASP A 63 13.012 -10.675 0.577 1.00 63.40 H new ATOM 1058 N ASP A 64 10.847 -9.212 -1.121 1.00 73.32 N ATOM 1059 CA ASP A 64 9.979 -9.277 -2.312 1.00 12.53 C ATOM 1060 C ASP A 64 9.330 -7.908 -2.601 1.00 42.43 C ATOM 1061 O ASP A 64 9.130 -7.548 -3.762 1.00 11.12 O ATOM 1062 CB ASP A 64 8.880 -10.346 -2.090 1.00 12.15 C ATOM 1063 CG ASP A 64 8.157 -10.803 -3.359 1.00 2.13 C ATOM 1064 OD1 ASP A 64 8.783 -10.843 -4.436 1.00 32.33 O ATOM 1065 OD2 ASP A 64 6.990 -11.225 -3.267 1.00 3.14 O ATOM 0 H ASP A 64 10.446 -9.668 -0.302 1.00 73.32 H new ATOM 0 HA ASP A 64 10.590 -9.549 -3.173 1.00 12.53 H new ATOM 0 HB2 ASP A 64 9.332 -11.216 -1.614 1.00 12.15 H new ATOM 0 HB3 ASP A 64 8.143 -9.948 -1.393 1.00 12.15 H new ATOM 1070 N ILE A 65 9.002 -7.177 -1.517 1.00 73.12 N ATOM 1071 CA ILE A 65 8.408 -5.816 -1.586 1.00 50.24 C ATOM 1072 C ILE A 65 9.312 -4.813 -2.343 1.00 24.54 C ATOM 1073 O ILE A 65 8.818 -4.077 -3.195 1.00 34.21 O ATOM 1074 CB ILE A 65 8.053 -5.271 -0.150 1.00 52.12 C ATOM 1075 CG1 ILE A 65 6.904 -6.129 0.461 1.00 53.01 C ATOM 1076 CG2 ILE A 65 7.686 -3.761 -0.157 1.00 1.03 C ATOM 1077 CD1 ILE A 65 6.493 -5.748 1.860 1.00 25.35 C ATOM 0 H ILE A 65 9.140 -7.510 -0.563 1.00 73.12 H new ATOM 0 HA ILE A 65 7.484 -5.911 -2.157 1.00 50.24 H new ATOM 0 HB ILE A 65 8.943 -5.361 0.473 1.00 52.12 H new ATOM 0 HG12 ILE A 65 6.032 -6.056 -0.189 1.00 53.01 H new ATOM 0 HG13 ILE A 65 7.214 -7.174 0.462 1.00 53.01 H new ATOM 0 HG21 ILE A 65 7.451 -3.439 0.857 1.00 1.03 H new ATOM 0 HG22 ILE A 65 8.530 -3.183 -0.534 1.00 1.03 H new ATOM 0 HG23 ILE A 65 6.820 -3.600 -0.799 1.00 1.03 H new ATOM 0 HD11 ILE A 65 5.689 -6.403 2.194 1.00 25.35 H new ATOM 0 HD12 ILE A 65 7.346 -5.850 2.530 1.00 25.35 H new ATOM 0 HD13 ILE A 65 6.146 -4.715 1.869 1.00 25.35 H new ATOM 1089 N ASP A 66 10.630 -4.799 -2.049 1.00 12.11 N ATOM 1090 CA ASP A 66 11.598 -3.919 -2.771 1.00 23.24 C ATOM 1091 C ASP A 66 11.583 -4.207 -4.288 1.00 42.20 C ATOM 1092 O ASP A 66 11.512 -3.281 -5.105 1.00 62.54 O ATOM 1093 CB ASP A 66 13.041 -4.067 -2.194 1.00 25.04 C ATOM 1094 CG ASP A 66 13.254 -3.237 -0.911 1.00 12.34 C ATOM 1095 OD1 ASP A 66 13.434 -2.000 -1.021 1.00 50.13 O ATOM 1096 OD2 ASP A 66 13.200 -3.795 0.206 1.00 64.02 O ATOM 0 H ASP A 66 11.054 -5.379 -1.325 1.00 12.11 H new ATOM 0 HA ASP A 66 11.282 -2.887 -2.617 1.00 23.24 H new ATOM 0 HB2 ASP A 66 13.237 -5.118 -1.980 1.00 25.04 H new ATOM 0 HB3 ASP A 66 13.764 -3.756 -2.948 1.00 25.04 H new ATOM 1101 N LYS A 67 11.604 -5.508 -4.628 1.00 4.42 N ATOM 1102 CA LYS A 67 11.486 -5.994 -6.018 1.00 11.30 C ATOM 1103 C LYS A 67 10.134 -5.593 -6.647 1.00 24.42 C ATOM 1104 O LYS A 67 10.067 -5.304 -7.848 1.00 32.22 O ATOM 1105 CB LYS A 67 11.662 -7.532 -6.038 1.00 60.30 C ATOM 1106 CG LYS A 67 13.039 -7.994 -5.532 1.00 41.22 C ATOM 1107 CD LYS A 67 13.136 -9.519 -5.383 1.00 1.15 C ATOM 1108 CE LYS A 67 14.532 -9.973 -4.947 1.00 3.52 C ATOM 1109 NZ LYS A 67 14.967 -9.328 -3.682 1.00 4.44 N ATOM 0 H LYS A 67 11.704 -6.258 -3.944 1.00 4.42 H new ATOM 0 HA LYS A 67 12.270 -5.529 -6.616 1.00 11.30 H new ATOM 0 HB2 LYS A 67 10.885 -7.988 -5.424 1.00 60.30 H new ATOM 0 HB3 LYS A 67 11.517 -7.894 -7.056 1.00 60.30 H new ATOM 0 HG2 LYS A 67 13.809 -7.651 -6.223 1.00 41.22 H new ATOM 0 HG3 LYS A 67 13.243 -7.526 -4.569 1.00 41.22 H new ATOM 0 HD2 LYS A 67 12.402 -9.858 -4.652 1.00 1.15 H new ATOM 0 HD3 LYS A 67 12.883 -9.991 -6.332 1.00 1.15 H new ATOM 0 HE2 LYS A 67 14.536 -11.056 -4.820 1.00 3.52 H new ATOM 0 HE3 LYS A 67 15.249 -9.742 -5.735 1.00 3.52 H new ATOM 0 HZ1 LYS A 67 15.402 -10.040 -3.061 1.00 4.44 H new ATOM 0 HZ2 LYS A 67 15.661 -8.583 -3.893 1.00 4.44 H new ATOM 0 HZ3 LYS A 67 14.143 -8.909 -3.205 1.00 4.44 H new ATOM 1123 N TRP A 68 9.077 -5.558 -5.805 1.00 52.12 N ATOM 1124 CA TRP A 68 7.708 -5.230 -6.232 1.00 54.10 C ATOM 1125 C TRP A 68 7.620 -3.759 -6.670 1.00 14.33 C ATOM 1126 O TRP A 68 7.060 -3.454 -7.716 1.00 20.22 O ATOM 1127 CB TRP A 68 6.677 -5.532 -5.104 1.00 10.11 C ATOM 1128 CG TRP A 68 5.263 -5.641 -5.609 1.00 61.33 C ATOM 1129 CD1 TRP A 68 4.643 -6.780 -6.035 1.00 3.10 C ATOM 1130 CD2 TRP A 68 4.306 -4.581 -5.758 1.00 44.32 C ATOM 1131 NE1 TRP A 68 3.372 -6.492 -6.451 1.00 11.42 N ATOM 1132 CE2 TRP A 68 3.139 -5.151 -6.288 1.00 21.12 C ATOM 1133 CE3 TRP A 68 4.322 -3.205 -5.492 1.00 71.54 C ATOM 1134 CZ2 TRP A 68 2.005 -4.399 -6.559 1.00 71.31 C ATOM 1135 CZ3 TRP A 68 3.191 -2.463 -5.760 1.00 23.23 C ATOM 1136 CH2 TRP A 68 2.045 -3.063 -6.289 1.00 61.12 C ATOM 0 H TRP A 68 9.155 -5.758 -4.808 1.00 52.12 H new ATOM 0 HA TRP A 68 7.461 -5.862 -7.085 1.00 54.10 H new ATOM 0 HB2 TRP A 68 6.952 -6.463 -4.609 1.00 10.11 H new ATOM 0 HB3 TRP A 68 6.728 -4.744 -4.353 1.00 10.11 H new ATOM 0 HD1 TRP A 68 5.090 -7.763 -6.043 1.00 3.10 H new ATOM 0 HE1 TRP A 68 2.704 -7.167 -6.823 1.00 11.42 H new ATOM 0 HE3 TRP A 68 5.204 -2.734 -5.084 1.00 71.54 H new ATOM 0 HZ2 TRP A 68 1.118 -4.857 -6.971 1.00 71.31 H new ATOM 0 HZ3 TRP A 68 3.191 -1.402 -5.558 1.00 23.23 H new ATOM 0 HH2 TRP A 68 1.174 -2.456 -6.488 1.00 61.12 H new ATOM 1147 N ILE A 69 8.207 -2.861 -5.878 1.00 32.33 N ATOM 1148 CA ILE A 69 8.194 -1.418 -6.172 1.00 30.24 C ATOM 1149 C ILE A 69 9.070 -1.118 -7.414 1.00 32.13 C ATOM 1150 O ILE A 69 8.679 -0.319 -8.284 1.00 62.55 O ATOM 1151 CB ILE A 69 8.652 -0.581 -4.905 1.00 73.44 C ATOM 1152 CG1 ILE A 69 7.469 -0.386 -3.890 1.00 43.20 C ATOM 1153 CG2 ILE A 69 9.255 0.790 -5.291 1.00 41.44 C ATOM 1154 CD1 ILE A 69 6.971 -1.629 -3.185 1.00 4.20 C ATOM 0 H ILE A 69 8.702 -3.105 -5.020 1.00 32.33 H new ATOM 0 HA ILE A 69 7.174 -1.112 -6.405 1.00 30.24 H new ATOM 0 HB ILE A 69 9.437 -1.162 -4.421 1.00 73.44 H new ATOM 0 HG12 ILE A 69 7.784 0.332 -3.133 1.00 43.20 H new ATOM 0 HG13 ILE A 69 6.631 0.061 -4.425 1.00 43.20 H new ATOM 0 HG21 ILE A 69 9.553 1.324 -4.388 1.00 41.44 H new ATOM 0 HG22 ILE A 69 10.127 0.638 -5.927 1.00 41.44 H new ATOM 0 HG23 ILE A 69 8.511 1.376 -5.830 1.00 41.44 H new ATOM 0 HD11 ILE A 69 6.155 -1.364 -2.512 1.00 4.20 H new ATOM 0 HD12 ILE A 69 6.614 -2.347 -3.923 1.00 4.20 H new ATOM 0 HD13 ILE A 69 7.785 -2.072 -2.611 1.00 4.20 H new ATOM 1166 N ASP A 70 10.227 -1.802 -7.492 1.00 5.04 N ATOM 1167 CA ASP A 70 11.186 -1.651 -8.599 1.00 73.20 C ATOM 1168 C ASP A 70 10.562 -2.063 -9.949 1.00 74.24 C ATOM 1169 O ASP A 70 10.779 -1.394 -10.971 1.00 23.22 O ATOM 1170 CB ASP A 70 12.481 -2.463 -8.317 1.00 33.42 C ATOM 1171 CG ASP A 70 13.550 -2.292 -9.419 1.00 55.31 C ATOM 1172 OD1 ASP A 70 14.212 -1.223 -9.462 1.00 20.14 O ATOM 1173 OD2 ASP A 70 13.715 -3.208 -10.262 1.00 70.33 O ATOM 0 H ASP A 70 10.522 -2.477 -6.786 1.00 5.04 H new ATOM 0 HA ASP A 70 11.449 -0.596 -8.668 1.00 73.20 H new ATOM 0 HB2 ASP A 70 12.899 -2.150 -7.360 1.00 33.42 H new ATOM 0 HB3 ASP A 70 12.228 -3.519 -8.224 1.00 33.42 H new ATOM 1178 N LYS A 71 9.767 -3.156 -9.941 1.00 50.32 N ATOM 1179 CA LYS A 71 9.104 -3.646 -11.162 1.00 64.12 C ATOM 1180 C LYS A 71 7.950 -2.719 -11.583 1.00 42.33 C ATOM 1181 O LYS A 71 7.711 -2.571 -12.767 1.00 72.54 O ATOM 1182 CB LYS A 71 8.626 -5.125 -11.020 1.00 1.51 C ATOM 1183 CG LYS A 71 7.345 -5.348 -10.179 1.00 60.22 C ATOM 1184 CD LYS A 71 6.991 -6.841 -9.968 1.00 11.12 C ATOM 1185 CE LYS A 71 8.087 -7.616 -9.223 1.00 23.22 C ATOM 1186 NZ LYS A 71 7.708 -9.027 -8.976 1.00 0.30 N ATOM 0 H LYS A 71 9.572 -3.710 -9.107 1.00 50.32 H new ATOM 0 HA LYS A 71 9.850 -3.630 -11.957 1.00 64.12 H new ATOM 0 HB2 LYS A 71 8.456 -5.528 -12.018 1.00 1.51 H new ATOM 0 HB3 LYS A 71 9.434 -5.706 -10.575 1.00 1.51 H new ATOM 0 HG2 LYS A 71 7.472 -4.873 -9.206 1.00 60.22 H new ATOM 0 HG3 LYS A 71 6.508 -4.851 -10.669 1.00 60.22 H new ATOM 0 HD2 LYS A 71 6.058 -6.912 -9.408 1.00 11.12 H new ATOM 0 HD3 LYS A 71 6.818 -7.308 -10.937 1.00 11.12 H new ATOM 0 HE2 LYS A 71 9.009 -7.586 -9.804 1.00 23.22 H new ATOM 0 HE3 LYS A 71 8.293 -7.125 -8.272 1.00 23.22 H new ATOM 0 HZ1 LYS A 71 8.478 -9.510 -8.471 1.00 0.30 H new ATOM 0 HZ2 LYS A 71 6.843 -9.058 -8.400 1.00 0.30 H new ATOM 0 HZ3 LYS A 71 7.536 -9.504 -9.884 1.00 0.30 H new ATOM 1200 N ILE A 72 7.265 -2.074 -10.609 1.00 33.15 N ATOM 1201 CA ILE A 72 6.140 -1.148 -10.900 1.00 74.10 C ATOM 1202 C ILE A 72 6.649 0.128 -11.598 1.00 30.42 C ATOM 1203 O ILE A 72 6.014 0.627 -12.522 1.00 61.13 O ATOM 1204 CB ILE A 72 5.343 -0.782 -9.592 1.00 24.35 C ATOM 1205 CG1 ILE A 72 4.632 -2.035 -8.998 1.00 71.04 C ATOM 1206 CG2 ILE A 72 4.313 0.351 -9.829 1.00 4.52 C ATOM 1207 CD1 ILE A 72 3.537 -2.639 -9.860 1.00 63.13 C ATOM 0 H ILE A 72 7.470 -2.177 -9.615 1.00 33.15 H new ATOM 0 HA ILE A 72 5.456 -1.663 -11.575 1.00 74.10 H new ATOM 0 HB ILE A 72 6.077 -0.418 -8.873 1.00 24.35 H new ATOM 0 HG12 ILE A 72 5.384 -2.801 -8.808 1.00 71.04 H new ATOM 0 HG13 ILE A 72 4.202 -1.764 -8.034 1.00 71.04 H new ATOM 0 HG21 ILE A 72 3.789 0.567 -8.898 1.00 4.52 H new ATOM 0 HG22 ILE A 72 4.830 1.247 -10.171 1.00 4.52 H new ATOM 0 HG23 ILE A 72 3.594 0.037 -10.585 1.00 4.52 H new ATOM 0 HD11 ILE A 72 3.110 -3.504 -9.353 1.00 63.13 H new ATOM 0 HD12 ILE A 72 2.757 -1.897 -10.031 1.00 63.13 H new ATOM 0 HD13 ILE A 72 3.957 -2.950 -10.816 1.00 63.13 H new ATOM 1219 N LYS A 73 7.815 0.631 -11.151 1.00 62.32 N ATOM 1220 CA LYS A 73 8.477 1.788 -11.790 1.00 45.14 C ATOM 1221 C LYS A 73 8.964 1.430 -13.209 1.00 61.30 C ATOM 1222 O LYS A 73 9.066 2.299 -14.072 1.00 22.01 O ATOM 1223 CB LYS A 73 9.671 2.271 -10.929 1.00 23.13 C ATOM 1224 CG LYS A 73 9.284 2.759 -9.517 1.00 21.34 C ATOM 1225 CD LYS A 73 10.501 3.226 -8.680 1.00 61.24 C ATOM 1226 CE LYS A 73 11.546 2.115 -8.465 1.00 5.30 C ATOM 1227 NZ LYS A 73 12.724 2.605 -7.703 1.00 54.21 N ATOM 0 H LYS A 73 8.320 0.255 -10.349 1.00 62.32 H new ATOM 0 HA LYS A 73 7.746 2.593 -11.868 1.00 45.14 H new ATOM 0 HB2 LYS A 73 10.388 1.455 -10.834 1.00 23.13 H new ATOM 0 HB3 LYS A 73 10.177 3.081 -11.454 1.00 23.13 H new ATOM 0 HG2 LYS A 73 8.574 3.582 -9.605 1.00 21.34 H new ATOM 0 HG3 LYS A 73 8.774 1.954 -8.988 1.00 21.34 H new ATOM 0 HD2 LYS A 73 10.975 4.071 -9.179 1.00 61.24 H new ATOM 0 HD3 LYS A 73 10.153 3.582 -7.710 1.00 61.24 H new ATOM 0 HE2 LYS A 73 11.087 1.283 -7.930 1.00 5.30 H new ATOM 0 HE3 LYS A 73 11.872 1.731 -9.432 1.00 5.30 H new ATOM 0 HZ1 LYS A 73 13.405 1.828 -7.579 1.00 54.21 H new ATOM 0 HZ2 LYS A 73 13.177 3.382 -8.225 1.00 54.21 H new ATOM 0 HZ3 LYS A 73 12.416 2.948 -6.771 1.00 54.21 H new ATOM 1241 N LYS A 74 9.264 0.135 -13.427 1.00 43.41 N ATOM 1242 CA LYS A 74 9.822 -0.375 -14.690 1.00 43.11 C ATOM 1243 C LYS A 74 8.713 -0.653 -15.729 1.00 53.41 C ATOM 1244 O LYS A 74 8.891 -0.384 -16.921 1.00 15.21 O ATOM 1245 CB LYS A 74 10.645 -1.649 -14.373 1.00 22.34 C ATOM 1246 CG LYS A 74 11.439 -2.246 -15.554 1.00 12.32 C ATOM 1247 CD LYS A 74 12.425 -3.378 -15.133 1.00 24.51 C ATOM 1248 CE LYS A 74 13.657 -2.890 -14.321 1.00 51.02 C ATOM 1249 NZ LYS A 74 13.330 -2.379 -12.954 1.00 62.43 N ATOM 0 H LYS A 74 9.124 -0.591 -12.724 1.00 43.41 H new ATOM 0 HA LYS A 74 10.471 0.377 -15.138 1.00 43.11 H new ATOM 0 HB2 LYS A 74 11.344 -1.417 -13.570 1.00 22.34 H new ATOM 0 HB3 LYS A 74 9.966 -2.412 -13.993 1.00 22.34 H new ATOM 0 HG2 LYS A 74 10.738 -2.641 -16.290 1.00 12.32 H new ATOM 0 HG3 LYS A 74 12.000 -1.450 -16.043 1.00 12.32 H new ATOM 0 HD2 LYS A 74 11.882 -4.113 -14.539 1.00 24.51 H new ATOM 0 HD3 LYS A 74 12.776 -3.889 -16.030 1.00 24.51 H new ATOM 0 HE2 LYS A 74 14.366 -3.713 -14.229 1.00 51.02 H new ATOM 0 HE3 LYS A 74 14.157 -2.100 -14.881 1.00 51.02 H new ATOM 0 HZ1 LYS A 74 14.008 -2.766 -12.267 1.00 62.43 H new ATOM 0 HZ2 LYS A 74 13.387 -1.341 -12.949 1.00 62.43 H new ATOM 0 HZ3 LYS A 74 12.367 -2.674 -12.694 1.00 62.43 H new ATOM 1263 N GLU A 75 7.570 -1.182 -15.263 1.00 0.21 N ATOM 1264 CA GLU A 75 6.398 -1.461 -16.124 1.00 20.22 C ATOM 1265 C GLU A 75 5.630 -0.160 -16.399 1.00 32.14 C ATOM 1266 O GLU A 75 5.133 0.070 -17.509 1.00 1.10 O ATOM 1267 CB GLU A 75 5.461 -2.496 -15.437 1.00 63.24 C ATOM 1268 CG GLU A 75 6.117 -3.858 -15.128 1.00 42.35 C ATOM 1269 CD GLU A 75 6.609 -4.605 -16.380 1.00 40.43 C ATOM 1270 OE1 GLU A 75 5.782 -5.260 -17.056 1.00 41.52 O ATOM 1271 OE2 GLU A 75 7.818 -4.531 -16.701 1.00 73.34 O ATOM 0 H GLU A 75 7.428 -1.429 -14.284 1.00 0.21 H new ATOM 0 HA GLU A 75 6.746 -1.876 -17.070 1.00 20.22 H new ATOM 0 HB2 GLU A 75 5.090 -2.068 -14.506 1.00 63.24 H new ATOM 0 HB3 GLU A 75 4.595 -2.663 -16.078 1.00 63.24 H new ATOM 0 HG2 GLU A 75 6.960 -3.701 -14.455 1.00 42.35 H new ATOM 0 HG3 GLU A 75 5.399 -4.486 -14.600 1.00 42.35 H new ATOM 1278 N ARG A 76 5.549 0.682 -15.359 1.00 4.50 N ATOM 1279 CA ARG A 76 4.803 1.946 -15.370 1.00 10.20 C ATOM 1280 C ARG A 76 5.775 3.103 -15.014 1.00 54.20 C ATOM 1281 O ARG A 76 5.893 3.483 -13.844 1.00 43.50 O ATOM 1282 CB ARG A 76 3.605 1.849 -14.367 1.00 64.43 C ATOM 1283 CG ARG A 76 2.688 0.614 -14.574 1.00 44.12 C ATOM 1284 CD ARG A 76 1.540 0.518 -13.548 1.00 3.31 C ATOM 1285 NE ARG A 76 0.615 1.659 -13.629 1.00 4.43 N ATOM 1286 CZ ARG A 76 -0.513 1.715 -14.360 1.00 63.13 C ATOM 1287 NH1 ARG A 76 -0.911 0.688 -15.106 1.00 23.22 N ATOM 1288 NH2 ARG A 76 -1.247 2.815 -14.324 1.00 31.54 N ATOM 0 H ARG A 76 6.011 0.498 -14.468 1.00 4.50 H new ATOM 0 HA ARG A 76 4.388 2.146 -16.358 1.00 10.20 H new ATOM 0 HB2 ARG A 76 4.000 1.826 -13.351 1.00 64.43 H new ATOM 0 HB3 ARG A 76 3.001 2.752 -14.454 1.00 64.43 H new ATOM 0 HG2 ARG A 76 2.265 0.650 -15.578 1.00 44.12 H new ATOM 0 HG3 ARG A 76 3.293 -0.291 -14.516 1.00 44.12 H new ATOM 0 HD2 ARG A 76 0.987 -0.407 -13.712 1.00 3.31 H new ATOM 0 HD3 ARG A 76 1.959 0.465 -12.543 1.00 3.31 H new ATOM 0 HE ARG A 76 0.851 2.485 -13.079 1.00 4.43 H new ATOM 0 HH11 ARG A 76 -0.357 -0.168 -15.133 1.00 23.22 H new ATOM 0 HH12 ARG A 76 -1.770 0.756 -15.651 1.00 23.22 H new ATOM 0 HH21 ARG A 76 -0.955 3.604 -13.748 1.00 31.54 H new ATOM 0 HH22 ARG A 76 -2.105 2.874 -14.872 1.00 31.54 H new ATOM 1302 N PRO A 77 6.541 3.652 -16.020 1.00 43.43 N ATOM 1303 CA PRO A 77 7.562 4.707 -15.777 1.00 71.34 C ATOM 1304 C PRO A 77 6.990 6.132 -15.777 1.00 22.21 C ATOM 1305 O PRO A 77 7.744 7.108 -15.678 1.00 12.43 O ATOM 1306 CB PRO A 77 8.536 4.482 -16.950 1.00 30.13 C ATOM 1307 CG PRO A 77 7.660 4.044 -18.093 1.00 20.04 C ATOM 1308 CD PRO A 77 6.498 3.273 -17.469 1.00 73.31 C ATOM 0 HA PRO A 77 8.018 4.629 -14.790 1.00 71.34 H new ATOM 0 HB2 PRO A 77 9.080 5.395 -17.194 1.00 30.13 H new ATOM 0 HB3 PRO A 77 9.280 3.723 -16.707 1.00 30.13 H new ATOM 0 HG2 PRO A 77 7.298 4.903 -18.658 1.00 20.04 H new ATOM 0 HG3 PRO A 77 8.215 3.415 -18.790 1.00 20.04 H new ATOM 0 HD2 PRO A 77 5.547 3.549 -17.925 1.00 73.31 H new ATOM 0 HD3 PRO A 77 6.616 2.198 -17.603 1.00 73.31 H new ATOM 1316 N GLN A 78 5.659 6.249 -15.907 1.00 11.44 N ATOM 1317 CA GLN A 78 4.956 7.544 -15.877 1.00 54.04 C ATOM 1318 C GLN A 78 4.302 7.785 -14.506 1.00 20.53 C ATOM 1319 O GLN A 78 3.381 8.611 -14.384 1.00 42.44 O ATOM 1320 CB GLN A 78 3.914 7.612 -17.027 1.00 64.21 C ATOM 1321 CG GLN A 78 4.500 7.436 -18.451 1.00 31.41 C ATOM 1322 CD GLN A 78 5.593 8.456 -18.801 1.00 32.35 C ATOM 1323 OE1 GLN A 78 5.308 9.557 -19.274 1.00 30.52 O ATOM 1324 NE2 GLN A 78 6.848 8.096 -18.594 1.00 23.45 N ATOM 0 H GLN A 78 5.039 5.449 -16.036 1.00 11.44 H new ATOM 0 HA GLN A 78 5.684 8.341 -16.031 1.00 54.04 H new ATOM 0 HB2 GLN A 78 3.162 6.841 -16.862 1.00 64.21 H new ATOM 0 HB3 GLN A 78 3.402 8.573 -16.977 1.00 64.21 H new ATOM 0 HG2 GLN A 78 4.911 6.431 -18.543 1.00 31.41 H new ATOM 0 HG3 GLN A 78 3.693 7.518 -19.179 1.00 31.41 H new ATOM 0 HE21 GLN A 78 7.057 7.178 -18.201 1.00 23.45 H new ATOM 0 HE22 GLN A 78 7.607 8.736 -18.827 1.00 23.45 H new ATOM 1333 N LEU A 79 4.786 7.068 -13.467 1.00 25.11 N ATOM 1334 CA LEU A 79 4.413 7.325 -12.072 1.00 50.23 C ATOM 1335 C LEU A 79 5.604 7.135 -11.123 1.00 73.22 C ATOM 1336 O LEU A 79 6.591 6.459 -11.454 1.00 1.42 O ATOM 1337 CB LEU A 79 3.176 6.462 -11.646 1.00 13.25 C ATOM 1338 CG LEU A 79 3.184 4.924 -11.982 1.00 3.23 C ATOM 1339 CD1 LEU A 79 4.147 4.106 -11.086 1.00 71.43 C ATOM 1340 CD2 LEU A 79 1.755 4.352 -11.901 1.00 21.51 C ATOM 0 H LEU A 79 5.445 6.298 -13.580 1.00 25.11 H new ATOM 0 HA LEU A 79 4.116 8.371 -11.997 1.00 50.23 H new ATOM 0 HB2 LEU A 79 3.055 6.566 -10.568 1.00 13.25 H new ATOM 0 HB3 LEU A 79 2.291 6.898 -12.110 1.00 13.25 H new ATOM 0 HG LEU A 79 3.559 4.830 -13.001 1.00 3.23 H new ATOM 0 HD11 LEU A 79 4.104 3.055 -11.370 1.00 71.43 H new ATOM 0 HD12 LEU A 79 5.165 4.475 -11.214 1.00 71.43 H new ATOM 0 HD13 LEU A 79 3.851 4.212 -10.042 1.00 71.43 H new ATOM 0 HD21 LEU A 79 1.775 3.288 -12.136 1.00 21.51 H new ATOM 0 HD22 LEU A 79 1.363 4.494 -10.894 1.00 21.51 H new ATOM 0 HD23 LEU A 79 1.115 4.869 -12.616 1.00 21.51 H new ATOM 1352 N GLU A 80 5.496 7.773 -9.961 1.00 53.25 N ATOM 1353 CA GLU A 80 6.434 7.636 -8.839 1.00 33.13 C ATOM 1354 C GLU A 80 5.809 6.726 -7.771 1.00 73.22 C ATOM 1355 O GLU A 80 4.579 6.707 -7.611 1.00 23.43 O ATOM 1356 CB GLU A 80 6.782 9.029 -8.239 1.00 4.02 C ATOM 1357 CG GLU A 80 5.579 9.948 -7.930 1.00 65.04 C ATOM 1358 CD GLU A 80 5.227 10.944 -9.050 1.00 43.23 C ATOM 1359 OE1 GLU A 80 4.664 10.534 -10.081 1.00 35.13 O ATOM 1360 OE2 GLU A 80 5.486 12.153 -8.887 1.00 72.02 O ATOM 0 H GLU A 80 4.733 8.420 -9.763 1.00 53.25 H new ATOM 0 HA GLU A 80 7.362 7.189 -9.197 1.00 33.13 H new ATOM 0 HB2 GLU A 80 7.344 8.877 -7.318 1.00 4.02 H new ATOM 0 HB3 GLU A 80 7.442 9.548 -8.934 1.00 4.02 H new ATOM 0 HG2 GLU A 80 4.707 9.326 -7.728 1.00 65.04 H new ATOM 0 HG3 GLU A 80 5.791 10.507 -7.018 1.00 65.04 H new ATOM 1367 N VAL A 81 6.658 5.974 -7.045 1.00 21.03 N ATOM 1368 CA VAL A 81 6.209 4.991 -6.042 1.00 45.02 C ATOM 1369 C VAL A 81 6.849 5.281 -4.669 1.00 43.40 C ATOM 1370 O VAL A 81 8.069 5.418 -4.561 1.00 1.11 O ATOM 1371 CB VAL A 81 6.563 3.518 -6.484 1.00 74.44 C ATOM 1372 CG1 VAL A 81 5.977 2.491 -5.491 1.00 34.33 C ATOM 1373 CG2 VAL A 81 6.097 3.213 -7.931 1.00 35.35 C ATOM 0 H VAL A 81 7.672 6.031 -7.137 1.00 21.03 H new ATOM 0 HA VAL A 81 5.126 5.081 -5.961 1.00 45.02 H new ATOM 0 HB VAL A 81 7.650 3.432 -6.472 1.00 74.44 H new ATOM 0 HG11 VAL A 81 6.234 1.483 -5.816 1.00 34.33 H new ATOM 0 HG12 VAL A 81 6.390 2.668 -4.498 1.00 34.33 H new ATOM 0 HG13 VAL A 81 4.893 2.596 -5.457 1.00 34.33 H new ATOM 0 HG21 VAL A 81 6.363 2.188 -8.190 1.00 35.35 H new ATOM 0 HG22 VAL A 81 5.016 3.336 -7.999 1.00 35.35 H new ATOM 0 HG23 VAL A 81 6.584 3.900 -8.623 1.00 35.35 H new ATOM 1383 N ARG A 82 6.006 5.362 -3.630 1.00 53.35 N ATOM 1384 CA ARG A 82 6.426 5.537 -2.227 1.00 14.32 C ATOM 1385 C ARG A 82 6.105 4.251 -1.440 1.00 45.41 C ATOM 1386 O ARG A 82 5.056 3.656 -1.656 1.00 4.23 O ATOM 1387 CB ARG A 82 5.676 6.762 -1.626 1.00 2.13 C ATOM 1388 CG ARG A 82 5.780 6.934 -0.085 1.00 31.50 C ATOM 1389 CD ARG A 82 7.215 7.194 0.414 1.00 2.13 C ATOM 1390 NE ARG A 82 7.291 7.200 1.886 1.00 23.31 N ATOM 1391 CZ ARG A 82 7.785 8.196 2.638 1.00 70.33 C ATOM 1392 NH1 ARG A 82 8.265 9.305 2.082 1.00 20.11 N ATOM 1393 NH2 ARG A 82 7.810 8.059 3.956 1.00 22.33 N ATOM 0 H ARG A 82 4.993 5.307 -3.740 1.00 53.35 H new ATOM 0 HA ARG A 82 7.499 5.720 -2.167 1.00 14.32 H new ATOM 0 HB2 ARG A 82 6.059 7.666 -2.099 1.00 2.13 H new ATOM 0 HB3 ARG A 82 4.622 6.685 -1.893 1.00 2.13 H new ATOM 0 HG2 ARG A 82 5.142 7.762 0.223 1.00 31.50 H new ATOM 0 HG3 ARG A 82 5.394 6.037 0.399 1.00 31.50 H new ATOM 0 HD2 ARG A 82 7.881 6.427 0.019 1.00 2.13 H new ATOM 0 HD3 ARG A 82 7.566 8.151 0.028 1.00 2.13 H new ATOM 0 HE ARG A 82 6.938 6.377 2.375 1.00 23.31 H new ATOM 0 HH11 ARG A 82 8.262 9.409 1.067 1.00 20.11 H new ATOM 0 HH12 ARG A 82 8.636 10.051 2.670 1.00 20.11 H new ATOM 0 HH21 ARG A 82 7.457 7.205 4.387 1.00 22.33 H new ATOM 0 HH22 ARG A 82 8.183 8.808 4.540 1.00 22.33 H new ATOM 1407 N LYS A 83 7.012 3.817 -0.545 1.00 12.25 N ATOM 1408 CA LYS A 83 6.744 2.699 0.382 1.00 53.10 C ATOM 1409 C LYS A 83 6.347 3.277 1.749 1.00 42.22 C ATOM 1410 O LYS A 83 7.010 4.193 2.239 1.00 23.04 O ATOM 1411 CB LYS A 83 7.983 1.784 0.550 1.00 44.54 C ATOM 1412 CG LYS A 83 8.535 1.176 -0.760 1.00 3.32 C ATOM 1413 CD LYS A 83 9.531 0.009 -0.508 1.00 34.31 C ATOM 1414 CE LYS A 83 10.702 0.409 0.415 1.00 13.41 C ATOM 1415 NZ LYS A 83 11.540 -0.753 0.808 1.00 73.13 N ATOM 0 H LYS A 83 7.941 4.225 -0.443 1.00 12.25 H new ATOM 0 HA LYS A 83 5.937 2.093 -0.031 1.00 53.10 H new ATOM 0 HB2 LYS A 83 8.777 2.358 1.028 1.00 44.54 H new ATOM 0 HB3 LYS A 83 7.725 0.971 1.229 1.00 44.54 H new ATOM 0 HG2 LYS A 83 7.704 0.814 -1.366 1.00 3.32 H new ATOM 0 HG3 LYS A 83 9.034 1.956 -1.336 1.00 3.32 H new ATOM 0 HD2 LYS A 83 8.995 -0.830 -0.064 1.00 34.31 H new ATOM 0 HD3 LYS A 83 9.928 -0.336 -1.463 1.00 34.31 H new ATOM 0 HE2 LYS A 83 11.324 1.146 -0.092 1.00 13.41 H new ATOM 0 HE3 LYS A 83 10.307 0.887 1.311 1.00 13.41 H new ATOM 0 HZ1 LYS A 83 12.120 -0.500 1.633 1.00 73.13 H new ATOM 0 HZ2 LYS A 83 10.927 -1.557 1.050 1.00 73.13 H new ATOM 0 HZ3 LYS A 83 12.161 -1.017 0.017 1.00 73.13 H new ATOM 1429 N VAL A 84 5.243 2.780 2.329 1.00 64.44 N ATOM 1430 CA VAL A 84 4.754 3.183 3.666 1.00 21.41 C ATOM 1431 C VAL A 84 4.645 1.956 4.574 1.00 42.13 C ATOM 1432 O VAL A 84 3.696 1.180 4.467 1.00 10.10 O ATOM 1433 CB VAL A 84 3.358 3.890 3.536 1.00 2.21 C ATOM 1434 CG1 VAL A 84 2.697 4.165 4.908 1.00 23.21 C ATOM 1435 CG2 VAL A 84 3.485 5.182 2.714 1.00 42.11 C ATOM 0 H VAL A 84 4.654 2.078 1.881 1.00 64.44 H new ATOM 0 HA VAL A 84 5.462 3.884 4.108 1.00 21.41 H new ATOM 0 HB VAL A 84 2.698 3.201 3.009 1.00 2.21 H new ATOM 0 HG11 VAL A 84 1.735 4.655 4.757 1.00 23.21 H new ATOM 0 HG12 VAL A 84 2.546 3.223 5.434 1.00 23.21 H new ATOM 0 HG13 VAL A 84 3.344 4.812 5.501 1.00 23.21 H new ATOM 0 HG21 VAL A 84 2.508 5.660 2.634 1.00 42.11 H new ATOM 0 HG22 VAL A 84 4.181 5.860 3.208 1.00 42.11 H new ATOM 0 HG23 VAL A 84 3.856 4.944 1.717 1.00 42.11 H new ATOM 1445 N THR A 85 5.621 1.781 5.461 1.00 62.23 N ATOM 1446 CA THR A 85 5.668 0.623 6.355 1.00 61.31 C ATOM 1447 C THR A 85 4.837 0.889 7.618 1.00 41.31 C ATOM 1448 O THR A 85 3.920 0.131 7.927 1.00 33.12 O ATOM 1449 CB THR A 85 7.145 0.286 6.711 1.00 12.30 C ATOM 1450 OG1 THR A 85 7.752 1.386 7.400 1.00 71.42 O ATOM 1451 CG2 THR A 85 7.966 -0.025 5.447 1.00 55.31 C ATOM 0 H THR A 85 6.397 2.432 5.582 1.00 62.23 H new ATOM 0 HA THR A 85 5.235 -0.239 5.847 1.00 61.31 H new ATOM 0 HB THR A 85 7.136 -0.595 7.352 1.00 12.30 H new ATOM 0 HG1 THR A 85 8.680 1.162 7.620 1.00 71.42 H new ATOM 0 HG21 THR A 85 8.993 -0.257 5.728 1.00 55.31 H new ATOM 0 HG22 THR A 85 7.530 -0.880 4.931 1.00 55.31 H new ATOM 0 HG23 THR A 85 7.957 0.841 4.785 1.00 55.31 H new ATOM 1459 N ASP A 86 5.148 1.999 8.315 1.00 62.43 N ATOM 1460 CA ASP A 86 4.471 2.391 9.567 1.00 51.53 C ATOM 1461 C ASP A 86 3.219 3.225 9.255 1.00 13.44 C ATOM 1462 O ASP A 86 3.177 3.918 8.233 1.00 14.12 O ATOM 1463 CB ASP A 86 5.423 3.231 10.458 1.00 22.04 C ATOM 1464 CG ASP A 86 6.765 2.536 10.729 1.00 42.11 C ATOM 1465 OD1 ASP A 86 6.842 1.703 11.656 1.00 4.12 O ATOM 1466 OD2 ASP A 86 7.750 2.807 10.004 1.00 1.32 O ATOM 0 H ASP A 86 5.877 2.651 8.025 1.00 62.43 H new ATOM 0 HA ASP A 86 4.185 1.482 10.096 1.00 51.53 H new ATOM 0 HB2 ASP A 86 5.609 4.191 9.976 1.00 22.04 H new ATOM 0 HB3 ASP A 86 4.931 3.441 11.408 1.00 22.04 H new ATOM 1471 N GLU A 87 2.210 3.167 10.146 1.00 42.11 N ATOM 1472 CA GLU A 87 1.018 4.045 10.071 1.00 12.33 C ATOM 1473 C GLU A 87 1.431 5.519 10.277 1.00 55.32 C ATOM 1474 O GLU A 87 0.791 6.423 9.755 1.00 33.31 O ATOM 1475 CB GLU A 87 -0.076 3.617 11.103 1.00 74.43 C ATOM 1476 CG GLU A 87 0.190 3.937 12.601 1.00 43.44 C ATOM 1477 CD GLU A 87 1.381 3.179 13.229 1.00 62.11 C ATOM 1478 OE1 GLU A 87 2.526 3.683 13.162 1.00 33.04 O ATOM 1479 OE2 GLU A 87 1.183 2.072 13.770 1.00 33.40 O ATOM 0 H GLU A 87 2.194 2.518 10.932 1.00 42.11 H new ATOM 0 HA GLU A 87 0.580 3.941 9.078 1.00 12.33 H new ATOM 0 HB2 GLU A 87 -1.013 4.095 10.818 1.00 74.43 H new ATOM 0 HB3 GLU A 87 -0.225 2.541 11.010 1.00 74.43 H new ATOM 0 HG2 GLU A 87 0.366 5.008 12.703 1.00 43.44 H new ATOM 0 HG3 GLU A 87 -0.710 3.706 13.172 1.00 43.44 H new ATOM 1486 N ASP A 88 2.532 5.718 11.038 1.00 4.42 N ATOM 1487 CA ASP A 88 3.207 7.017 11.238 1.00 12.22 C ATOM 1488 C ASP A 88 3.637 7.636 9.894 1.00 65.03 C ATOM 1489 O ASP A 88 3.515 8.844 9.685 1.00 42.34 O ATOM 1490 CB ASP A 88 4.436 6.791 12.170 1.00 62.33 C ATOM 1491 CG ASP A 88 5.295 8.048 12.400 1.00 73.45 C ATOM 1492 OD1 ASP A 88 4.813 9.000 13.056 1.00 30.05 O ATOM 1493 OD2 ASP A 88 6.462 8.085 11.947 1.00 32.41 O ATOM 0 H ASP A 88 2.986 4.957 11.543 1.00 4.42 H new ATOM 0 HA ASP A 88 2.516 7.721 11.702 1.00 12.22 H new ATOM 0 HB2 ASP A 88 4.084 6.424 13.134 1.00 62.33 H new ATOM 0 HB3 ASP A 88 5.064 6.009 11.742 1.00 62.33 H new ATOM 1498 N GLN A 89 4.094 6.768 8.979 1.00 45.22 N ATOM 1499 CA GLN A 89 4.518 7.169 7.628 1.00 53.21 C ATOM 1500 C GLN A 89 3.295 7.496 6.746 1.00 11.02 C ATOM 1501 O GLN A 89 3.382 8.344 5.861 1.00 51.41 O ATOM 1502 CB GLN A 89 5.384 6.050 6.993 1.00 54.21 C ATOM 1503 CG GLN A 89 6.630 5.662 7.819 1.00 14.10 C ATOM 1504 CD GLN A 89 7.631 6.810 7.989 1.00 42.12 C ATOM 1505 OE1 GLN A 89 7.537 7.608 8.924 1.00 43.21 O ATOM 1506 NE2 GLN A 89 8.611 6.886 7.101 1.00 60.24 N ATOM 0 H GLN A 89 4.180 5.767 9.155 1.00 45.22 H new ATOM 0 HA GLN A 89 5.122 8.073 7.701 1.00 53.21 H new ATOM 0 HB2 GLN A 89 4.765 5.164 6.853 1.00 54.21 H new ATOM 0 HB3 GLN A 89 5.706 6.374 6.003 1.00 54.21 H new ATOM 0 HG2 GLN A 89 6.311 5.319 8.803 1.00 14.10 H new ATOM 0 HG3 GLN A 89 7.130 4.823 7.336 1.00 14.10 H new ATOM 0 HE21 GLN A 89 8.662 6.211 6.338 1.00 60.24 H new ATOM 0 HE22 GLN A 89 9.315 7.620 7.180 1.00 60.24 H new ATOM 1515 N ALA A 90 2.161 6.808 7.002 1.00 71.32 N ATOM 1516 CA ALA A 90 0.874 7.088 6.326 1.00 73.15 C ATOM 1517 C ALA A 90 0.266 8.426 6.795 1.00 0.01 C ATOM 1518 O ALA A 90 -0.425 9.104 6.030 1.00 1.33 O ATOM 1519 CB ALA A 90 -0.107 5.929 6.542 1.00 52.31 C ATOM 0 H ALA A 90 2.111 6.047 7.679 1.00 71.32 H new ATOM 0 HA ALA A 90 1.069 7.180 5.258 1.00 73.15 H new ATOM 0 HB1 ALA A 90 -1.048 6.150 6.039 1.00 52.31 H new ATOM 0 HB2 ALA A 90 0.317 5.012 6.132 1.00 52.31 H new ATOM 0 HB3 ALA A 90 -0.288 5.799 7.609 1.00 52.31 H new ATOM 1525 N LYS A 91 0.545 8.792 8.059 1.00 44.50 N ATOM 1526 CA LYS A 91 0.150 10.092 8.637 1.00 12.51 C ATOM 1527 C LYS A 91 1.069 11.213 8.106 1.00 35.11 C ATOM 1528 O LYS A 91 0.629 12.352 7.919 1.00 15.22 O ATOM 1529 CB LYS A 91 0.206 10.027 10.192 1.00 23.13 C ATOM 1530 CG LYS A 91 -0.750 8.983 10.815 1.00 44.50 C ATOM 1531 CD LYS A 91 -0.647 8.878 12.356 1.00 11.21 C ATOM 1532 CE LYS A 91 -1.200 10.115 13.080 1.00 70.13 C ATOM 1533 NZ LYS A 91 -2.648 10.330 12.806 1.00 4.24 N ATOM 0 H LYS A 91 1.052 8.194 8.711 1.00 44.50 H new ATOM 0 HA LYS A 91 -0.874 10.315 8.337 1.00 12.51 H new ATOM 0 HB2 LYS A 91 1.227 9.798 10.499 1.00 23.13 H new ATOM 0 HB3 LYS A 91 -0.035 11.011 10.595 1.00 23.13 H new ATOM 0 HG2 LYS A 91 -1.775 9.238 10.546 1.00 44.50 H new ATOM 0 HG3 LYS A 91 -0.539 8.006 10.379 1.00 44.50 H new ATOM 0 HD2 LYS A 91 -1.190 7.994 12.692 1.00 11.21 H new ATOM 0 HD3 LYS A 91 0.397 8.736 12.636 1.00 11.21 H new ATOM 0 HE2 LYS A 91 -1.048 10.003 14.154 1.00 70.13 H new ATOM 0 HE3 LYS A 91 -0.639 10.996 12.769 1.00 70.13 H new ATOM 0 HZ1 LYS A 91 -3.024 11.042 13.464 1.00 4.24 H new ATOM 0 HZ2 LYS A 91 -2.771 10.663 11.828 1.00 4.24 H new ATOM 0 HZ3 LYS A 91 -3.162 9.435 12.934 1.00 4.24 H new ATOM 1547 N GLN A 92 2.345 10.853 7.846 1.00 33.12 N ATOM 1548 CA GLN A 92 3.377 11.781 7.355 1.00 60.21 C ATOM 1549 C GLN A 92 3.096 12.212 5.905 1.00 13.21 C ATOM 1550 O GLN A 92 3.084 13.409 5.607 1.00 64.41 O ATOM 1551 CB GLN A 92 4.777 11.114 7.463 1.00 42.44 C ATOM 1552 CG GLN A 92 5.972 11.935 6.913 1.00 5.32 C ATOM 1553 CD GLN A 92 6.071 13.357 7.477 1.00 73.35 C ATOM 1554 OE1 GLN A 92 6.646 13.590 8.541 1.00 12.25 O ATOM 1555 NE2 GLN A 92 5.560 14.330 6.737 1.00 25.05 N ATOM 0 H GLN A 92 2.687 9.900 7.974 1.00 33.12 H new ATOM 0 HA GLN A 92 3.358 12.677 7.975 1.00 60.21 H new ATOM 0 HB2 GLN A 92 4.970 10.890 8.512 1.00 42.44 H new ATOM 0 HB3 GLN A 92 4.744 10.161 6.935 1.00 42.44 H new ATOM 0 HG2 GLN A 92 6.897 11.403 7.136 1.00 5.32 H new ATOM 0 HG3 GLN A 92 5.890 11.992 5.828 1.00 5.32 H new ATOM 0 HE21 GLN A 92 5.089 14.110 5.860 1.00 25.05 H new ATOM 0 HE22 GLN A 92 5.638 15.299 7.045 1.00 25.05 H new ATOM 1564 N ILE A 93 2.889 11.222 5.012 1.00 5.14 N ATOM 1565 CA ILE A 93 2.627 11.480 3.580 1.00 45.23 C ATOM 1566 C ILE A 93 1.356 12.324 3.346 1.00 43.03 C ATOM 1567 O ILE A 93 1.265 13.022 2.335 1.00 23.43 O ATOM 1568 CB ILE A 93 2.570 10.163 2.737 1.00 63.43 C ATOM 1569 CG1 ILE A 93 1.443 9.236 3.259 1.00 12.31 C ATOM 1570 CG2 ILE A 93 3.949 9.444 2.742 1.00 53.32 C ATOM 1571 CD1 ILE A 93 1.297 7.944 2.505 1.00 62.30 C ATOM 0 H ILE A 93 2.898 10.232 5.259 1.00 5.14 H new ATOM 0 HA ILE A 93 3.478 12.065 3.233 1.00 45.23 H new ATOM 0 HB ILE A 93 2.339 10.420 1.703 1.00 63.43 H new ATOM 0 HG12 ILE A 93 1.633 9.010 4.308 1.00 12.31 H new ATOM 0 HG13 ILE A 93 0.497 9.776 3.216 1.00 12.31 H new ATOM 0 HG21 ILE A 93 3.886 8.531 2.150 1.00 53.32 H new ATOM 0 HG22 ILE A 93 4.704 10.103 2.313 1.00 53.32 H new ATOM 0 HG23 ILE A 93 4.225 9.194 3.766 1.00 53.32 H new ATOM 0 HD11 ILE A 93 0.486 7.359 2.939 1.00 62.30 H new ATOM 0 HD12 ILE A 93 1.073 8.156 1.460 1.00 62.30 H new ATOM 0 HD13 ILE A 93 2.226 7.378 2.569 1.00 62.30 H new ATOM 1583 N LEU A 94 0.391 12.271 4.293 1.00 54.12 N ATOM 1584 CA LEU A 94 -0.770 13.184 4.289 1.00 10.11 C ATOM 1585 C LEU A 94 -0.309 14.660 4.232 1.00 65.24 C ATOM 1586 O LEU A 94 -0.868 15.447 3.483 1.00 71.13 O ATOM 1587 CB LEU A 94 -1.688 12.943 5.523 1.00 64.23 C ATOM 1588 CG LEU A 94 -2.508 11.611 5.508 1.00 54.25 C ATOM 1589 CD1 LEU A 94 -3.262 11.397 6.837 1.00 33.11 C ATOM 1590 CD2 LEU A 94 -3.481 11.581 4.307 1.00 33.51 C ATOM 0 H LEU A 94 0.395 11.606 5.067 1.00 54.12 H new ATOM 0 HA LEU A 94 -1.354 12.970 3.393 1.00 10.11 H new ATOM 0 HB2 LEU A 94 -1.070 12.958 6.421 1.00 64.23 H new ATOM 0 HB3 LEU A 94 -2.386 13.777 5.602 1.00 64.23 H new ATOM 0 HG LEU A 94 -1.803 10.787 5.396 1.00 54.25 H new ATOM 0 HD11 LEU A 94 -3.821 10.462 6.792 1.00 33.11 H new ATOM 0 HD12 LEU A 94 -2.547 11.352 7.658 1.00 33.11 H new ATOM 0 HD13 LEU A 94 -3.952 12.225 7.001 1.00 33.11 H new ATOM 0 HD21 LEU A 94 -4.041 10.646 4.316 1.00 33.51 H new ATOM 0 HD22 LEU A 94 -4.174 12.420 4.379 1.00 33.51 H new ATOM 0 HD23 LEU A 94 -2.915 11.656 3.378 1.00 33.51 H new ATOM 1602 N GLU A 95 0.738 14.995 5.022 1.00 52.23 N ATOM 1603 CA GLU A 95 1.366 16.341 5.040 1.00 11.54 C ATOM 1604 C GLU A 95 2.451 16.497 3.935 1.00 74.32 C ATOM 1605 O GLU A 95 2.753 17.614 3.505 1.00 70.13 O ATOM 1606 CB GLU A 95 2.004 16.620 6.428 1.00 73.33 C ATOM 1607 CG GLU A 95 1.052 16.435 7.633 1.00 64.34 C ATOM 1608 CD GLU A 95 1.680 16.894 8.963 1.00 21.35 C ATOM 1609 OE1 GLU A 95 2.760 16.372 9.327 1.00 62.31 O ATOM 1610 OE2 GLU A 95 1.108 17.776 9.648 1.00 72.13 O ATOM 0 H GLU A 95 1.174 14.337 5.668 1.00 52.23 H new ATOM 0 HA GLU A 95 0.575 17.064 4.842 1.00 11.54 H new ATOM 0 HB2 GLU A 95 2.861 15.959 6.557 1.00 73.33 H new ATOM 0 HB3 GLU A 95 2.384 17.641 6.438 1.00 73.33 H new ATOM 0 HG2 GLU A 95 0.135 16.997 7.456 1.00 64.34 H new ATOM 0 HG3 GLU A 95 0.772 15.385 7.712 1.00 64.34 H new ATOM 1617 N ASP A 96 3.034 15.360 3.501 1.00 11.54 N ATOM 1618 CA ASP A 96 4.227 15.338 2.605 1.00 41.14 C ATOM 1619 C ASP A 96 3.834 15.632 1.140 1.00 42.34 C ATOM 1620 O ASP A 96 4.625 16.207 0.385 1.00 13.13 O ATOM 1621 CB ASP A 96 5.000 13.979 2.726 1.00 44.51 C ATOM 1622 CG ASP A 96 6.520 14.142 2.931 1.00 44.13 C ATOM 1623 OD1 ASP A 96 7.222 14.578 1.994 1.00 14.22 O ATOM 1624 OD2 ASP A 96 7.027 13.846 4.043 1.00 64.11 O ATOM 0 H ASP A 96 2.699 14.431 3.756 1.00 11.54 H new ATOM 0 HA ASP A 96 4.900 16.132 2.930 1.00 41.14 H new ATOM 0 HB2 ASP A 96 4.589 13.412 3.561 1.00 44.51 H new ATOM 0 HB3 ASP A 96 4.826 13.391 1.825 1.00 44.51 H new ATOM 1629 N LEU A 97 2.602 15.232 0.755 1.00 14.35 N ATOM 1630 CA LEU A 97 2.010 15.601 -0.550 1.00 71.12 C ATOM 1631 C LEU A 97 1.547 17.075 -0.528 1.00 55.22 C ATOM 1632 O LEU A 97 1.356 17.676 -1.591 1.00 12.35 O ATOM 1633 CB LEU A 97 0.822 14.653 -0.953 1.00 3.13 C ATOM 1634 CG LEU A 97 1.195 13.257 -1.586 1.00 75.25 C ATOM 1635 CD1 LEU A 97 1.897 12.320 -0.587 1.00 21.11 C ATOM 1636 CD2 LEU A 97 -0.054 12.574 -2.192 1.00 33.31 C ATOM 0 H LEU A 97 1.995 14.650 1.333 1.00 14.35 H new ATOM 0 HA LEU A 97 2.785 15.481 -1.307 1.00 71.12 H new ATOM 0 HB2 LEU A 97 0.219 14.470 -0.063 1.00 3.13 H new ATOM 0 HB3 LEU A 97 0.190 15.187 -1.662 1.00 3.13 H new ATOM 0 HG LEU A 97 1.908 13.458 -2.385 1.00 75.25 H new ATOM 0 HD11 LEU A 97 2.130 11.375 -1.077 1.00 21.11 H new ATOM 0 HD12 LEU A 97 2.819 12.785 -0.238 1.00 21.11 H new ATOM 0 HD13 LEU A 97 1.240 12.136 0.263 1.00 21.11 H new ATOM 0 HD21 LEU A 97 0.229 11.613 -2.622 1.00 33.31 H new ATOM 0 HD22 LEU A 97 -0.798 12.417 -1.411 1.00 33.31 H new ATOM 0 HD23 LEU A 97 -0.475 13.210 -2.971 1.00 33.31 H new ATOM 1648 N LYS A 98 1.375 17.649 0.690 1.00 20.23 N ATOM 1649 CA LYS A 98 0.959 19.059 0.857 1.00 63.24 C ATOM 1650 C LYS A 98 2.164 20.000 0.718 1.00 62.13 C ATOM 1651 O LYS A 98 1.985 21.187 0.407 1.00 43.03 O ATOM 1652 CB LYS A 98 0.243 19.324 2.218 1.00 61.00 C ATOM 1653 CG LYS A 98 -0.911 18.361 2.565 1.00 42.24 C ATOM 1654 CD LYS A 98 -1.925 18.127 1.423 1.00 11.52 C ATOM 1655 CE LYS A 98 -2.663 19.396 0.976 1.00 12.33 C ATOM 1656 NZ LYS A 98 -3.577 19.120 -0.160 1.00 1.54 N ATOM 0 H LYS A 98 1.519 17.153 1.570 1.00 20.23 H new ATOM 0 HA LYS A 98 0.239 19.261 0.064 1.00 63.24 H new ATOM 0 HB2 LYS A 98 0.986 19.274 3.014 1.00 61.00 H new ATOM 0 HB3 LYS A 98 -0.147 20.342 2.210 1.00 61.00 H new ATOM 0 HG2 LYS A 98 -0.488 17.400 2.859 1.00 42.24 H new ATOM 0 HG3 LYS A 98 -1.444 18.753 3.431 1.00 42.24 H new ATOM 0 HD2 LYS A 98 -1.401 17.703 0.567 1.00 11.52 H new ATOM 0 HD3 LYS A 98 -2.658 17.388 1.747 1.00 11.52 H new ATOM 0 HE2 LYS A 98 -3.232 19.801 1.813 1.00 12.33 H new ATOM 0 HE3 LYS A 98 -1.938 20.157 0.685 1.00 12.33 H new ATOM 0 HZ1 LYS A 98 -3.278 19.673 -0.988 1.00 1.54 H new ATOM 0 HZ2 LYS A 98 -3.547 18.107 -0.391 1.00 1.54 H new ATOM 0 HZ3 LYS A 98 -4.547 19.386 0.103 1.00 1.54 H new ATOM 1670 N LYS A 99 3.379 19.476 1.022 1.00 31.54 N ATOM 1671 CA LYS A 99 4.649 20.168 0.721 1.00 53.14 C ATOM 1672 C LYS A 99 4.666 20.541 -0.778 1.00 50.04 C ATOM 1673 O LYS A 99 4.537 21.713 -1.132 1.00 23.31 O ATOM 1674 CB LYS A 99 5.881 19.281 1.071 1.00 50.55 C ATOM 1675 CG LYS A 99 6.006 18.876 2.556 1.00 1.13 C ATOM 1676 CD LYS A 99 7.208 17.930 2.788 1.00 43.31 C ATOM 1677 CE LYS A 99 7.340 17.461 4.242 1.00 1.54 C ATOM 1678 NZ LYS A 99 8.424 16.454 4.390 1.00 50.14 N ATOM 0 H LYS A 99 3.501 18.572 1.478 1.00 31.54 H new ATOM 0 HA LYS A 99 4.714 21.067 1.333 1.00 53.14 H new ATOM 0 HB2 LYS A 99 5.838 18.374 0.467 1.00 50.55 H new ATOM 0 HB3 LYS A 99 6.786 19.815 0.780 1.00 50.55 H new ATOM 0 HG2 LYS A 99 6.122 19.770 3.169 1.00 1.13 H new ATOM 0 HG3 LYS A 99 5.088 18.385 2.879 1.00 1.13 H new ATOM 0 HD2 LYS A 99 7.106 17.059 2.141 1.00 43.31 H new ATOM 0 HD3 LYS A 99 8.125 18.440 2.494 1.00 43.31 H new ATOM 0 HE2 LYS A 99 7.546 18.317 4.885 1.00 1.54 H new ATOM 0 HE3 LYS A 99 6.395 17.032 4.575 1.00 1.54 H new ATOM 0 HZ1 LYS A 99 8.006 15.509 4.505 1.00 50.14 H new ATOM 0 HZ2 LYS A 99 9.026 16.465 3.542 1.00 50.14 H new ATOM 0 HZ3 LYS A 99 8.999 16.683 5.226 1.00 50.14 H new ATOM 1692 N LYS A 100 4.762 19.497 -1.622 1.00 42.42 N ATOM 1693 CA LYS A 100 4.590 19.555 -3.094 1.00 52.11 C ATOM 1694 C LYS A 100 4.294 18.129 -3.598 1.00 43.41 C ATOM 1695 O LYS A 100 4.259 17.173 -2.807 1.00 1.14 O ATOM 1696 CB LYS A 100 5.857 20.117 -3.844 1.00 73.22 C ATOM 1697 CG LYS A 100 6.089 21.652 -3.789 1.00 4.24 C ATOM 1698 CD LYS A 100 4.885 22.485 -4.306 1.00 53.44 C ATOM 1699 CE LYS A 100 4.515 22.203 -5.771 1.00 55.53 C ATOM 1700 NZ LYS A 100 5.632 22.490 -6.706 1.00 72.32 N ATOM 0 H LYS A 100 4.969 18.555 -1.291 1.00 42.42 H new ATOM 0 HA LYS A 100 3.770 20.240 -3.308 1.00 52.11 H new ATOM 0 HB2 LYS A 100 6.739 19.627 -3.432 1.00 73.22 H new ATOM 0 HB3 LYS A 100 5.788 19.823 -4.891 1.00 73.22 H new ATOM 0 HG2 LYS A 100 6.304 21.941 -2.760 1.00 4.24 H new ATOM 0 HG3 LYS A 100 6.971 21.899 -4.381 1.00 4.24 H new ATOM 0 HD2 LYS A 100 4.018 22.281 -3.677 1.00 53.44 H new ATOM 0 HD3 LYS A 100 5.116 23.545 -4.197 1.00 53.44 H new ATOM 0 HE2 LYS A 100 4.220 21.159 -5.873 1.00 55.53 H new ATOM 0 HE3 LYS A 100 3.651 22.807 -6.047 1.00 55.53 H new ATOM 0 HZ1 LYS A 100 5.320 22.316 -7.683 1.00 72.32 H new ATOM 0 HZ2 LYS A 100 5.921 23.484 -6.607 1.00 72.32 H new ATOM 0 HZ3 LYS A 100 6.438 21.871 -6.484 1.00 72.32 H new ATOM 1714 N GLY A 101 4.084 17.999 -4.925 1.00 61.30 N ATOM 1715 CA GLY A 101 4.050 16.688 -5.581 1.00 23.30 C ATOM 1716 C GLY A 101 5.417 16.017 -5.544 1.00 32.52 C ATOM 1717 O GLY A 101 5.520 14.793 -5.461 1.00 50.13 O ATOM 0 H GLY A 101 3.937 18.787 -5.556 1.00 61.30 H new ATOM 0 HA2 GLY A 101 3.316 16.051 -5.088 1.00 23.30 H new ATOM 0 HA3 GLY A 101 3.727 16.805 -6.616 1.00 23.30 H new ATOM 1721 N SER A 102 6.475 16.836 -5.606 1.00 53.32 N ATOM 1722 CA SER A 102 7.847 16.389 -5.380 1.00 41.14 C ATOM 1723 C SER A 102 8.140 16.445 -3.865 1.00 44.11 C ATOM 1724 O SER A 102 8.158 17.529 -3.268 1.00 0.44 O ATOM 1725 CB SER A 102 8.820 17.276 -6.184 1.00 52.15 C ATOM 1726 OG SER A 102 8.500 17.257 -7.575 1.00 31.44 O ATOM 0 H SER A 102 6.398 17.831 -5.816 1.00 53.32 H new ATOM 0 HA SER A 102 7.980 15.363 -5.722 1.00 41.14 H new ATOM 0 HB2 SER A 102 8.777 18.299 -5.811 1.00 52.15 H new ATOM 0 HB3 SER A 102 9.842 16.926 -6.038 1.00 52.15 H new ATOM 0 HG SER A 102 9.129 17.828 -8.063 1.00 31.44 H new ATOM 1732 N LEU A 103 8.353 15.263 -3.259 1.00 54.01 N ATOM 1733 CA LEU A 103 8.549 15.104 -1.798 1.00 74.14 C ATOM 1734 C LEU A 103 9.941 15.603 -1.341 1.00 51.12 C ATOM 1735 O LEU A 103 10.196 15.686 -0.136 1.00 51.41 O ATOM 1736 CB LEU A 103 8.338 13.604 -1.385 1.00 41.14 C ATOM 1737 CG LEU A 103 6.856 13.089 -1.206 1.00 11.05 C ATOM 1738 CD1 LEU A 103 5.967 13.344 -2.447 1.00 41.35 C ATOM 1739 CD2 LEU A 103 6.856 11.589 -0.817 1.00 52.21 C ATOM 0 H LEU A 103 8.395 14.381 -3.770 1.00 54.01 H new ATOM 0 HA LEU A 103 7.805 15.722 -1.296 1.00 74.14 H new ATOM 0 HB2 LEU A 103 8.821 12.979 -2.136 1.00 41.14 H new ATOM 0 HB3 LEU A 103 8.866 13.438 -0.446 1.00 41.14 H new ATOM 0 HG LEU A 103 6.413 13.670 -0.397 1.00 11.05 H new ATOM 0 HD11 LEU A 103 4.962 12.967 -2.258 1.00 41.35 H new ATOM 0 HD12 LEU A 103 5.921 14.414 -2.648 1.00 41.35 H new ATOM 0 HD13 LEU A 103 6.391 12.831 -3.310 1.00 41.35 H new ATOM 0 HD21 LEU A 103 5.829 11.244 -0.696 1.00 52.21 H new ATOM 0 HD22 LEU A 103 7.343 11.010 -1.601 1.00 52.21 H new ATOM 0 HD23 LEU A 103 7.396 11.456 0.121 1.00 52.21 H new ATOM 1751 N GLU A 104 10.828 15.959 -2.294 1.00 52.31 N ATOM 1752 CA GLU A 104 12.208 16.385 -1.984 1.00 25.20 C ATOM 1753 C GLU A 104 12.652 17.545 -2.910 1.00 74.41 C ATOM 1754 O GLU A 104 11.831 18.107 -3.652 1.00 73.31 O ATOM 1755 CB GLU A 104 13.165 15.157 -2.085 1.00 32.14 C ATOM 1756 CG GLU A 104 13.647 14.768 -3.505 1.00 75.20 C ATOM 1757 CD GLU A 104 12.541 14.518 -4.550 1.00 61.24 C ATOM 1758 OE1 GLU A 104 11.653 13.676 -4.309 1.00 2.13 O ATOM 1759 OE2 GLU A 104 12.586 15.136 -5.630 1.00 73.03 O ATOM 0 H GLU A 104 10.610 15.959 -3.290 1.00 52.31 H new ATOM 0 HA GLU A 104 12.248 16.767 -0.964 1.00 25.20 H new ATOM 0 HB2 GLU A 104 14.043 15.358 -1.470 1.00 32.14 H new ATOM 0 HB3 GLU A 104 12.660 14.295 -1.648 1.00 32.14 H new ATOM 0 HG2 GLU A 104 14.297 15.560 -3.876 1.00 75.20 H new ATOM 0 HG3 GLU A 104 14.255 13.867 -3.426 1.00 75.20 H new ATOM 1766 N HIS A 105 13.964 17.881 -2.856 1.00 4.41 N ATOM 1767 CA HIS A 105 14.582 18.968 -3.645 1.00 54.41 C ATOM 1768 C HIS A 105 14.953 18.479 -5.077 1.00 13.33 C ATOM 1769 O HIS A 105 16.123 18.529 -5.476 1.00 23.14 O ATOM 1770 CB HIS A 105 15.832 19.500 -2.868 1.00 71.10 C ATOM 1771 CG HIS A 105 16.304 20.892 -3.230 1.00 32.13 C ATOM 1772 ND1 HIS A 105 16.663 21.825 -2.278 1.00 62.53 N ATOM 1773 CD2 HIS A 105 16.526 21.491 -4.423 1.00 33.21 C ATOM 1774 CE1 HIS A 105 17.089 22.919 -2.872 1.00 13.20 C ATOM 1775 NE2 HIS A 105 17.016 22.742 -4.170 1.00 13.34 N ATOM 0 H HIS A 105 14.629 17.396 -2.254 1.00 4.41 H new ATOM 0 HA HIS A 105 13.870 19.784 -3.773 1.00 54.41 H new ATOM 0 HB2 HIS A 105 15.605 19.482 -1.802 1.00 71.10 H new ATOM 0 HB3 HIS A 105 16.657 18.806 -3.030 1.00 71.10 H new ATOM 0 HD2 HIS A 105 16.349 21.060 -5.397 1.00 33.21 H new ATOM 0 HE1 HIS A 105 17.439 23.812 -2.375 1.00 13.20 H new ATOM 0 HE2 HIS A 105 17.282 23.428 -4.877 1.00 13.34 H new ATOM 1784 N HIS A 106 13.940 17.947 -5.807 1.00 51.11 N ATOM 1785 CA HIS A 106 14.006 17.635 -7.260 1.00 60.44 C ATOM 1786 C HIS A 106 15.242 16.769 -7.635 1.00 43.41 C ATOM 1787 O HIS A 106 16.006 17.094 -8.560 1.00 1.54 O ATOM 1788 CB HIS A 106 13.926 18.969 -8.077 1.00 15.42 C ATOM 1789 CG HIS A 106 13.850 18.808 -9.577 1.00 45.04 C ATOM 1790 ND1 HIS A 106 12.891 18.041 -10.206 1.00 63.54 N ATOM 1791 CD2 HIS A 106 14.642 19.290 -10.563 1.00 63.33 C ATOM 1792 CE1 HIS A 106 13.114 18.046 -11.505 1.00 1.22 C ATOM 1793 NE2 HIS A 106 14.167 18.797 -11.741 1.00 0.15 N ATOM 0 H HIS A 106 13.036 17.718 -5.395 1.00 51.11 H new ATOM 0 HA HIS A 106 13.148 17.016 -7.523 1.00 60.44 H new ATOM 0 HB2 HIS A 106 13.051 19.527 -7.744 1.00 15.42 H new ATOM 0 HB3 HIS A 106 14.800 19.575 -7.838 1.00 15.42 H new ATOM 0 HD2 HIS A 106 15.493 19.944 -10.439 1.00 63.33 H new ATOM 0 HE1 HIS A 106 12.531 17.523 -12.249 1.00 1.22 H new ATOM 0 HE2 HIS A 106 14.566 18.982 -12.661 1.00 0.15 H new ATOM 1802 N HIS A 107 15.460 15.662 -6.889 1.00 63.44 N ATOM 1803 CA HIS A 107 16.554 14.723 -7.226 1.00 1.14 C ATOM 1804 C HIS A 107 16.104 13.709 -8.290 1.00 63.30 C ATOM 1805 O HIS A 107 16.938 13.140 -8.995 1.00 72.30 O ATOM 1806 CB HIS A 107 17.224 14.051 -5.978 1.00 30.11 C ATOM 1807 CG HIS A 107 16.436 13.066 -5.132 1.00 32.12 C ATOM 1808 ND1 HIS A 107 16.574 13.015 -3.752 1.00 53.23 N ATOM 1809 CD2 HIS A 107 15.612 12.035 -5.446 1.00 51.12 C ATOM 1810 CE1 HIS A 107 15.887 11.994 -3.276 1.00 65.21 C ATOM 1811 NE2 HIS A 107 15.293 11.389 -4.278 1.00 75.23 N ATOM 0 H HIS A 107 14.909 15.401 -6.071 1.00 63.44 H new ATOM 0 HA HIS A 107 17.352 15.323 -7.664 1.00 1.14 H new ATOM 0 HB2 HIS A 107 18.118 13.535 -6.328 1.00 30.11 H new ATOM 0 HB3 HIS A 107 17.557 14.852 -5.318 1.00 30.11 H new ATOM 0 HD2 HIS A 107 15.269 11.771 -6.435 1.00 51.12 H new ATOM 0 HE1 HIS A 107 15.824 11.705 -2.237 1.00 65.21 H new ATOM 0 HE2 HIS A 107 14.691 10.570 -4.201 1.00 75.23 H new ATOM 1820 N HIS A 108 14.778 13.499 -8.419 1.00 23.12 N ATOM 1821 CA HIS A 108 14.210 12.615 -9.458 1.00 25.30 C ATOM 1822 C HIS A 108 13.844 13.440 -10.711 1.00 12.54 C ATOM 1823 O HIS A 108 13.416 14.604 -10.605 1.00 3.43 O ATOM 1824 CB HIS A 108 12.972 11.846 -8.916 1.00 62.31 C ATOM 1825 CG HIS A 108 11.726 12.685 -8.703 1.00 42.12 C ATOM 1826 ND1 HIS A 108 11.439 13.335 -7.525 1.00 74.40 N ATOM 1827 CD2 HIS A 108 10.695 12.983 -9.539 1.00 2.52 C ATOM 1828 CE1 HIS A 108 10.302 13.988 -7.647 1.00 42.42 C ATOM 1829 NE2 HIS A 108 9.841 13.790 -8.857 1.00 73.25 N ATOM 0 H HIS A 108 14.079 13.931 -7.815 1.00 23.12 H new ATOM 0 HA HIS A 108 14.961 11.876 -9.736 1.00 25.30 H new ATOM 0 HB2 HIS A 108 12.733 11.041 -9.611 1.00 62.31 H new ATOM 0 HB3 HIS A 108 13.242 11.380 -7.968 1.00 62.31 H new ATOM 0 HD2 HIS A 108 10.577 12.641 -10.557 1.00 2.52 H new ATOM 0 HE1 HIS A 108 9.830 14.585 -6.880 1.00 42.42 H new ATOM 0 HE2 HIS A 108 8.976 14.181 -9.229 1.00 73.25 H new ATOM 1838 N HIS A 109 14.027 12.817 -11.885 1.00 21.32 N ATOM 1839 CA HIS A 109 13.629 13.363 -13.200 1.00 74.23 C ATOM 1840 C HIS A 109 13.725 12.223 -14.231 1.00 53.52 C ATOM 1841 O HIS A 109 14.149 12.436 -15.373 1.00 23.00 O ATOM 1842 CB HIS A 109 14.507 14.599 -13.602 1.00 22.32 C ATOM 1843 CG HIS A 109 16.004 14.350 -13.702 1.00 63.44 C ATOM 1844 ND1 HIS A 109 16.871 14.557 -12.652 1.00 71.40 N ATOM 1845 CD2 HIS A 109 16.785 13.939 -14.741 1.00 40.10 C ATOM 1846 CE1 HIS A 109 18.105 14.299 -13.041 1.00 44.21 C ATOM 1847 NE2 HIS A 109 18.077 13.924 -14.296 1.00 42.32 N ATOM 0 H HIS A 109 14.465 11.899 -11.953 1.00 21.32 H new ATOM 0 HA HIS A 109 12.604 13.733 -13.158 1.00 74.23 H new ATOM 0 HB2 HIS A 109 14.156 14.971 -14.564 1.00 22.32 H new ATOM 0 HB3 HIS A 109 14.339 15.392 -12.873 1.00 22.32 H new ATOM 0 HD2 HIS A 109 16.446 13.674 -15.732 1.00 40.10 H new ATOM 0 HE1 HIS A 109 18.990 14.383 -12.428 1.00 44.21 H new ATOM 0 HE2 HIS A 109 18.891 13.662 -14.853 1.00 42.32 H new ATOM 1856 N HIS A 110 13.216 11.043 -13.805 1.00 31.14 N ATOM 1857 CA HIS A 110 13.534 9.706 -14.364 1.00 51.25 C ATOM 1858 C HIS A 110 14.858 9.233 -13.726 1.00 40.33 C ATOM 1859 O HIS A 110 15.940 9.542 -14.266 1.00 21.34 O ATOM 1860 CB HIS A 110 13.572 9.645 -15.931 1.00 34.32 C ATOM 1861 CG HIS A 110 13.864 8.277 -16.519 1.00 10.44 C ATOM 1862 ND1 HIS A 110 12.882 7.346 -16.780 1.00 1.32 N ATOM 1863 CD2 HIS A 110 15.031 7.698 -16.917 1.00 24.50 C ATOM 1864 CE1 HIS A 110 13.424 6.269 -17.311 1.00 13.31 C ATOM 1865 NE2 HIS A 110 14.725 6.450 -17.402 1.00 41.32 N ATOM 1866 OXT HIS A 110 14.815 8.600 -12.652 1.00 36.76 O ATOM 0 H HIS A 110 12.549 10.993 -13.035 1.00 31.14 H new ATOM 0 HA HIS A 110 12.720 9.028 -14.109 1.00 51.25 H new ATOM 0 HB2 HIS A 110 12.612 9.990 -16.315 1.00 34.32 H new ATOM 0 HB3 HIS A 110 14.328 10.345 -16.287 1.00 34.32 H new ATOM 0 HD2 HIS A 110 16.015 8.139 -16.861 1.00 24.50 H new ATOM 0 HE1 HIS A 110 12.889 5.383 -17.621 1.00 13.31 H new ATOM 0 HE2 HIS A 110 15.395 5.775 -17.771 1.00 41.32 H new TER 1875 HIS A 110