USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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 9 SER OG : rot 64:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 59:sc= -0.163 USER MOD Single : A 4 TYR OH : rot 45:sc= 0.61 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.828 (180deg=0.79) USER MOD Single : A 21 MET CE :methyl -171:sc= -0.589 (180deg=-0.926) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 1.37 (180deg=0.546) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 36:sc= 0.302 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0933 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 0.735 (180deg=0.698) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0.948 (180deg=0.397) USER MOD Single : A 49 SER OG : rot -83:sc= 1.08 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 66 LYS NZ :NH3+ -134:sc= 0.213 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -168:sc= 0 (180deg=-0.2) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0.321 (180deg=0.308) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 117:sc= 0.703 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0.694 (180deg=0.684) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.206 -1.362 10.015 1.00 15.45 N ATOM 21 CA LEU A 2 -9.541 -2.299 9.094 1.00 33.32 C ATOM 22 C LEU A 2 -8.386 -1.565 8.392 1.00 3.41 C ATOM 23 O LEU A 2 -8.625 -0.646 7.603 1.00 22.22 O ATOM 24 CB LEU A 2 -10.569 -2.823 8.052 1.00 2.44 C ATOM 25 CG LEU A 2 -11.875 -3.454 8.628 1.00 21.21 C ATOM 26 CD1 LEU A 2 -12.877 -3.797 7.507 1.00 10.30 C ATOM 27 CD2 LEU A 2 -11.564 -4.692 9.501 1.00 51.33 C ATOM 0 HA LEU A 2 -9.144 -3.152 9.644 1.00 33.32 H new ATOM 0 HB2 LEU A 2 -10.847 -1.995 7.400 1.00 2.44 H new ATOM 0 HB3 LEU A 2 -10.075 -3.568 7.428 1.00 2.44 H new ATOM 0 HG LEU A 2 -12.343 -2.707 9.269 1.00 21.21 H new ATOM 0 HD11 LEU A 2 -13.775 -4.235 7.943 1.00 10.30 H new ATOM 0 HD12 LEU A 2 -13.142 -2.889 6.965 1.00 10.30 H new ATOM 0 HD13 LEU A 2 -12.423 -4.510 6.819 1.00 10.30 H new ATOM 0 HD21 LEU A 2 -12.495 -5.108 9.887 1.00 51.33 H new ATOM 0 HD22 LEU A 2 -11.053 -5.443 8.898 1.00 51.33 H new ATOM 0 HD23 LEU A 2 -10.925 -4.399 10.334 1.00 51.33 H new ATOM 39 N LEU A 3 -7.139 -1.944 8.708 1.00 30.55 N ATOM 40 CA LEU A 3 -5.933 -1.310 8.149 1.00 15.24 C ATOM 41 C LEU A 3 -5.265 -2.256 7.145 1.00 51.11 C ATOM 42 O LEU A 3 -4.777 -3.339 7.507 1.00 53.10 O ATOM 43 CB LEU A 3 -4.949 -0.941 9.283 1.00 54.13 C ATOM 44 CG LEU A 3 -5.461 0.087 10.340 1.00 34.15 C ATOM 45 CD1 LEU A 3 -4.418 0.312 11.453 1.00 75.33 C ATOM 46 CD2 LEU A 3 -5.865 1.423 9.673 1.00 31.44 C ATOM 0 H LEU A 3 -6.936 -2.701 9.361 1.00 30.55 H new ATOM 0 HA LEU A 3 -6.220 -0.395 7.631 1.00 15.24 H new ATOM 0 HB2 LEU A 3 -4.670 -1.857 9.804 1.00 54.13 H new ATOM 0 HB3 LEU A 3 -4.041 -0.542 8.831 1.00 54.13 H new ATOM 0 HG LEU A 3 -6.353 -0.334 10.804 1.00 34.15 H new ATOM 0 HD11 LEU A 3 -4.804 1.033 12.173 1.00 75.33 H new ATOM 0 HD12 LEU A 3 -4.215 -0.632 11.958 1.00 75.33 H new ATOM 0 HD13 LEU A 3 -3.496 0.695 11.016 1.00 75.33 H new ATOM 0 HD21 LEU A 3 -6.217 2.118 10.435 1.00 31.44 H new ATOM 0 HD22 LEU A 3 -5.002 1.851 9.163 1.00 31.44 H new ATOM 0 HD23 LEU A 3 -6.661 1.243 8.950 1.00 31.44 H new ATOM 58 N TYR A 4 -5.282 -1.842 5.877 1.00 60.14 N ATOM 59 CA TYR A 4 -4.682 -2.575 4.758 1.00 74.11 C ATOM 60 C TYR A 4 -3.507 -1.783 4.202 1.00 71.44 C ATOM 61 O TYR A 4 -3.508 -0.553 4.220 1.00 43.02 O ATOM 62 CB TYR A 4 -5.738 -2.843 3.652 1.00 23.15 C ATOM 63 CG TYR A 4 -6.759 -3.920 4.044 1.00 34.54 C ATOM 64 CD1 TYR A 4 -7.823 -3.643 4.907 1.00 62.13 C ATOM 65 CD2 TYR A 4 -6.633 -5.227 3.576 1.00 61.11 C ATOM 66 CE1 TYR A 4 -8.714 -4.626 5.281 1.00 40.15 C ATOM 67 CE2 TYR A 4 -7.520 -6.209 3.955 1.00 43.25 C ATOM 68 CZ TYR A 4 -8.555 -5.906 4.802 1.00 70.22 C ATOM 69 OH TYR A 4 -9.421 -6.896 5.186 1.00 64.24 O ATOM 0 H TYR A 4 -5.723 -0.968 5.592 1.00 60.14 H new ATOM 0 HA TYR A 4 -4.321 -3.539 5.116 1.00 74.11 H new ATOM 0 HB2 TYR A 4 -6.265 -1.915 3.428 1.00 23.15 H new ATOM 0 HB3 TYR A 4 -5.229 -3.149 2.738 1.00 23.15 H new ATOM 0 HD1 TYR A 4 -7.949 -2.640 5.288 1.00 62.13 H new ATOM 0 HD2 TYR A 4 -5.825 -5.474 2.904 1.00 61.11 H new ATOM 0 HE1 TYR A 4 -9.532 -4.393 5.946 1.00 40.15 H new ATOM 0 HE2 TYR A 4 -7.401 -7.217 3.586 1.00 43.25 H new ATOM 0 HH TYR A 4 -10.341 -6.563 5.136 1.00 64.24 H new ATOM 79 N VAL A 5 -2.486 -2.509 3.768 1.00 75.22 N ATOM 80 CA VAL A 5 -1.306 -1.963 3.110 1.00 64.50 C ATOM 81 C VAL A 5 -1.164 -2.634 1.733 1.00 32.22 C ATOM 82 O VAL A 5 -1.187 -3.852 1.633 1.00 53.42 O ATOM 83 CB VAL A 5 -0.016 -2.214 3.984 1.00 61.14 C ATOM 84 CG1 VAL A 5 1.243 -1.641 3.308 1.00 62.34 C ATOM 85 CG2 VAL A 5 -0.177 -1.639 5.419 1.00 63.52 C ATOM 0 H VAL A 5 -2.455 -3.524 3.867 1.00 75.22 H new ATOM 0 HA VAL A 5 -1.417 -0.886 2.988 1.00 64.50 H new ATOM 0 HB VAL A 5 0.108 -3.294 4.067 1.00 61.14 H new ATOM 0 HG11 VAL A 5 2.112 -1.832 3.937 1.00 62.34 H new ATOM 0 HG12 VAL A 5 1.385 -2.119 2.339 1.00 62.34 H new ATOM 0 HG13 VAL A 5 1.124 -0.566 3.169 1.00 62.34 H new ATOM 0 HG21 VAL A 5 0.730 -1.830 5.992 1.00 63.52 H new ATOM 0 HG22 VAL A 5 -0.351 -0.564 5.363 1.00 63.52 H new ATOM 0 HG23 VAL A 5 -1.024 -2.118 5.910 1.00 63.52 H new ATOM 95 N LEU A 6 -1.084 -1.835 0.668 1.00 2.20 N ATOM 96 CA LEU A 6 -0.732 -2.310 -0.682 1.00 53.51 C ATOM 97 C LEU A 6 0.680 -1.822 -0.991 1.00 23.40 C ATOM 98 O LEU A 6 1.073 -0.758 -0.513 1.00 30.12 O ATOM 99 CB LEU A 6 -1.750 -1.785 -1.733 1.00 21.44 C ATOM 100 CG LEU A 6 -3.238 -2.207 -1.506 1.00 60.44 C ATOM 101 CD1 LEU A 6 -4.155 -1.700 -2.635 1.00 10.55 C ATOM 102 CD2 LEU A 6 -3.371 -3.729 -1.318 1.00 23.32 C ATOM 0 H LEU A 6 -1.262 -0.832 0.712 1.00 2.20 H new ATOM 0 HA LEU A 6 -0.767 -3.399 -0.724 1.00 53.51 H new ATOM 0 HB2 LEU A 6 -1.699 -0.696 -1.749 1.00 21.44 H new ATOM 0 HB3 LEU A 6 -1.439 -2.133 -2.718 1.00 21.44 H new ATOM 0 HG LEU A 6 -3.568 -1.731 -0.583 1.00 60.44 H new ATOM 0 HD11 LEU A 6 -5.180 -2.014 -2.440 1.00 10.55 H new ATOM 0 HD12 LEU A 6 -4.111 -0.612 -2.678 1.00 10.55 H new ATOM 0 HD13 LEU A 6 -3.823 -2.115 -3.587 1.00 10.55 H new ATOM 0 HD21 LEU A 6 -4.419 -3.986 -1.163 1.00 23.32 H new ATOM 0 HD22 LEU A 6 -3.000 -4.239 -2.207 1.00 23.32 H new ATOM 0 HD23 LEU A 6 -2.788 -4.041 -0.451 1.00 23.32 H new ATOM 114 N ILE A 7 1.463 -2.599 -1.746 1.00 4.20 N ATOM 115 CA ILE A 7 2.833 -2.196 -2.122 1.00 41.52 C ATOM 116 C ILE A 7 3.091 -2.470 -3.613 1.00 72.24 C ATOM 117 O ILE A 7 3.057 -3.616 -4.072 1.00 50.41 O ATOM 118 CB ILE A 7 3.922 -2.884 -1.205 1.00 33.33 C ATOM 119 CG1 ILE A 7 5.357 -2.383 -1.570 1.00 61.52 C ATOM 120 CG2 ILE A 7 3.831 -4.429 -1.255 1.00 12.12 C ATOM 121 CD1 ILE A 7 6.451 -2.869 -0.637 1.00 20.32 C ATOM 0 H ILE A 7 1.178 -3.508 -2.110 1.00 4.20 H new ATOM 0 HA ILE A 7 2.919 -1.122 -1.958 1.00 41.52 H new ATOM 0 HB ILE A 7 3.715 -2.589 -0.176 1.00 33.33 H new ATOM 0 HG12 ILE A 7 5.593 -2.705 -2.584 1.00 61.52 H new ATOM 0 HG13 ILE A 7 5.357 -1.293 -1.573 1.00 61.52 H new ATOM 0 HG21 ILE A 7 4.597 -4.860 -0.611 1.00 12.12 H new ATOM 0 HG22 ILE A 7 2.847 -4.747 -0.911 1.00 12.12 H new ATOM 0 HG23 ILE A 7 3.985 -4.770 -2.279 1.00 12.12 H new ATOM 0 HD11 ILE A 7 7.412 -2.473 -0.966 1.00 20.32 H new ATOM 0 HD12 ILE A 7 6.244 -2.525 0.376 1.00 20.32 H new ATOM 0 HD13 ILE A 7 6.484 -3.958 -0.651 1.00 20.32 H new ATOM 133 N ILE A 8 3.306 -1.392 -4.379 1.00 2.12 N ATOM 134 CA ILE A 8 3.687 -1.475 -5.785 1.00 71.14 C ATOM 135 C ILE A 8 5.215 -1.317 -5.879 1.00 4.24 C ATOM 136 O ILE A 8 5.743 -0.202 -5.759 1.00 64.32 O ATOM 137 CB ILE A 8 2.978 -0.360 -6.637 1.00 11.13 C ATOM 138 CG1 ILE A 8 1.454 -0.305 -6.315 1.00 0.13 C ATOM 139 CG2 ILE A 8 3.218 -0.594 -8.148 1.00 61.31 C ATOM 140 CD1 ILE A 8 0.707 0.852 -6.953 1.00 3.02 C ATOM 0 H ILE A 8 3.219 -0.436 -4.034 1.00 2.12 H new ATOM 0 HA ILE A 8 3.375 -2.440 -6.185 1.00 71.14 H new ATOM 0 HB ILE A 8 3.412 0.604 -6.371 1.00 11.13 H new ATOM 0 HG12 ILE A 8 0.995 -1.238 -6.641 1.00 0.13 H new ATOM 0 HG13 ILE A 8 1.328 -0.248 -5.234 1.00 0.13 H new ATOM 0 HG21 ILE A 8 2.719 0.188 -8.721 1.00 61.31 H new ATOM 0 HG22 ILE A 8 4.288 -0.569 -8.355 1.00 61.31 H new ATOM 0 HG23 ILE A 8 2.816 -1.566 -8.434 1.00 61.31 H new ATOM 0 HD11 ILE A 8 -0.345 0.805 -6.671 1.00 3.02 H new ATOM 0 HD12 ILE A 8 1.133 1.794 -6.609 1.00 3.02 H new ATOM 0 HD13 ILE A 8 0.795 0.788 -8.038 1.00 3.02 H new ATOM 152 N SER A 9 5.908 -2.440 -6.069 1.00 71.11 N ATOM 153 CA SER A 9 7.373 -2.480 -6.180 1.00 5.02 C ATOM 154 C SER A 9 7.798 -3.768 -6.891 1.00 4.13 C ATOM 155 O SER A 9 7.116 -4.793 -6.792 1.00 44.14 O ATOM 156 CB SER A 9 8.031 -2.386 -4.772 1.00 32.00 C ATOM 157 OG SER A 9 9.453 -2.351 -4.851 1.00 34.43 O ATOM 0 H SER A 9 5.468 -3.357 -6.151 1.00 71.11 H new ATOM 0 HA SER A 9 7.710 -1.624 -6.765 1.00 5.02 H new ATOM 0 HB2 SER A 9 7.674 -1.491 -4.263 1.00 32.00 H new ATOM 0 HB3 SER A 9 7.722 -3.240 -4.169 1.00 32.00 H new ATOM 0 HG SER A 9 9.735 -1.535 -5.314 1.00 34.43 H new ATOM 163 N ASN A 10 8.909 -3.699 -7.632 1.00 73.04 N ATOM 164 CA ASN A 10 9.516 -4.867 -8.292 1.00 5.10 C ATOM 165 C ASN A 10 10.666 -5.420 -7.431 1.00 31.02 C ATOM 166 O ASN A 10 10.992 -6.609 -7.515 1.00 51.45 O ATOM 167 CB ASN A 10 10.041 -4.490 -9.699 1.00 45.14 C ATOM 168 CG ASN A 10 10.465 -5.707 -10.535 1.00 5.24 C ATOM 169 OD1 ASN A 10 9.833 -6.765 -10.486 1.00 63.41 O ATOM 170 ND2 ASN A 10 11.554 -5.584 -11.273 1.00 4.11 N ATOM 0 H ASN A 10 9.417 -2.829 -7.793 1.00 73.04 H new ATOM 0 HA ASN A 10 8.751 -5.636 -8.404 1.00 5.10 H new ATOM 0 HB2 ASN A 10 9.265 -3.943 -10.234 1.00 45.14 H new ATOM 0 HB3 ASN A 10 10.891 -3.816 -9.594 1.00 45.14 H new ATOM 0 HD21 ASN A 10 11.891 -6.376 -11.821 1.00 4.11 H new ATOM 0 HD22 ASN A 10 12.058 -4.697 -11.295 1.00 4.11 H new ATOM 177 N ASP A 11 11.279 -4.542 -6.602 1.00 61.43 N ATOM 178 CA ASP A 11 12.406 -4.925 -5.727 1.00 15.04 C ATOM 179 C ASP A 11 11.916 -5.876 -4.635 1.00 3.34 C ATOM 180 O ASP A 11 11.221 -5.445 -3.711 1.00 74.45 O ATOM 181 CB ASP A 11 13.089 -3.681 -5.082 1.00 42.43 C ATOM 182 CG ASP A 11 13.819 -2.791 -6.102 1.00 71.33 C ATOM 183 OD1 ASP A 11 14.993 -3.077 -6.430 1.00 61.02 O ATOM 184 OD2 ASP A 11 13.219 -1.821 -6.605 1.00 72.33 O ATOM 0 H ASP A 11 11.009 -3.562 -6.523 1.00 61.43 H new ATOM 0 HA ASP A 11 13.150 -5.427 -6.345 1.00 15.04 H new ATOM 0 HB2 ASP A 11 12.334 -3.087 -4.567 1.00 42.43 H new ATOM 0 HB3 ASP A 11 13.801 -4.016 -4.328 1.00 42.43 H new ATOM 189 N LYS A 12 12.275 -7.167 -4.775 1.00 4.22 N ATOM 190 CA LYS A 12 11.911 -8.232 -3.821 1.00 2.24 C ATOM 191 C LYS A 12 12.303 -7.856 -2.390 1.00 31.42 C ATOM 192 O LYS A 12 11.524 -8.049 -1.476 1.00 3.45 O ATOM 193 CB LYS A 12 12.594 -9.569 -4.212 1.00 62.21 C ATOM 194 CG LYS A 12 12.252 -10.134 -5.618 1.00 10.42 C ATOM 195 CD LYS A 12 10.772 -10.595 -5.792 1.00 74.32 C ATOM 196 CE LYS A 12 9.815 -9.478 -6.243 1.00 2.31 C ATOM 197 NZ LYS A 12 8.422 -9.962 -6.394 1.00 30.53 N ATOM 0 H LYS A 12 12.831 -7.503 -5.561 1.00 4.22 H new ATOM 0 HA LYS A 12 10.829 -8.353 -3.863 1.00 2.24 H new ATOM 0 HB2 LYS A 12 13.674 -9.431 -4.153 1.00 62.21 H new ATOM 0 HB3 LYS A 12 12.327 -10.319 -3.468 1.00 62.21 H new ATOM 0 HG2 LYS A 12 12.471 -9.371 -6.365 1.00 10.42 H new ATOM 0 HG3 LYS A 12 12.908 -10.979 -5.825 1.00 10.42 H new ATOM 0 HD2 LYS A 12 10.738 -11.404 -6.521 1.00 74.32 H new ATOM 0 HD3 LYS A 12 10.416 -11.003 -4.846 1.00 74.32 H new ATOM 0 HE2 LYS A 12 9.839 -8.666 -5.516 1.00 2.31 H new ATOM 0 HE3 LYS A 12 10.160 -9.067 -7.192 1.00 2.31 H new ATOM 0 HZ1 LYS A 12 7.813 -9.176 -6.699 1.00 30.53 H new ATOM 0 HZ2 LYS A 12 8.393 -10.719 -7.106 1.00 30.53 H new ATOM 0 HZ3 LYS A 12 8.082 -10.330 -5.483 1.00 30.53 H new ATOM 211 N LYS A 13 13.495 -7.264 -2.238 1.00 34.05 N ATOM 212 CA LYS A 13 14.067 -6.914 -0.928 1.00 20.21 C ATOM 213 C LYS A 13 13.236 -5.818 -0.239 1.00 52.23 C ATOM 214 O LYS A 13 12.997 -5.894 0.966 1.00 63.22 O ATOM 215 CB LYS A 13 15.540 -6.473 -1.109 1.00 43.41 C ATOM 216 CG LYS A 13 16.460 -7.564 -1.708 1.00 1.24 C ATOM 217 CD LYS A 13 16.555 -8.839 -0.826 1.00 0.23 C ATOM 218 CE LYS A 13 17.500 -9.897 -1.423 1.00 4.20 C ATOM 219 NZ LYS A 13 17.600 -11.108 -0.567 1.00 11.12 N ATOM 0 H LYS A 13 14.094 -7.012 -3.024 1.00 34.05 H new ATOM 0 HA LYS A 13 14.041 -7.792 -0.282 1.00 20.21 H new ATOM 0 HB2 LYS A 13 15.568 -5.595 -1.755 1.00 43.41 H new ATOM 0 HB3 LYS A 13 15.938 -6.169 -0.141 1.00 43.41 H new ATOM 0 HG2 LYS A 13 16.089 -7.840 -2.695 1.00 1.24 H new ATOM 0 HG3 LYS A 13 17.459 -7.151 -1.847 1.00 1.24 H new ATOM 0 HD2 LYS A 13 16.905 -8.564 0.169 1.00 0.23 H new ATOM 0 HD3 LYS A 13 15.561 -9.270 -0.707 1.00 0.23 H new ATOM 0 HE2 LYS A 13 17.144 -10.182 -2.413 1.00 4.20 H new ATOM 0 HE3 LYS A 13 18.492 -9.464 -1.554 1.00 4.20 H new ATOM 0 HZ1 LYS A 13 18.247 -11.793 -1.008 1.00 11.12 H new ATOM 0 HZ2 LYS A 13 17.965 -10.842 0.370 1.00 11.12 H new ATOM 0 HZ3 LYS A 13 16.659 -11.538 -0.463 1.00 11.12 H new ATOM 233 N LEU A 14 12.793 -4.812 -1.022 1.00 33.15 N ATOM 234 CA LEU A 14 11.937 -3.714 -0.523 1.00 74.12 C ATOM 235 C LEU A 14 10.556 -4.269 -0.096 1.00 44.04 C ATOM 236 O LEU A 14 10.026 -3.891 0.963 1.00 13.31 O ATOM 237 CB LEU A 14 11.827 -2.600 -1.620 1.00 71.00 C ATOM 238 CG LEU A 14 11.204 -1.207 -1.200 1.00 21.22 C ATOM 239 CD1 LEU A 14 11.692 -0.060 -2.114 1.00 12.02 C ATOM 240 CD2 LEU A 14 9.656 -1.225 -1.190 1.00 65.55 C ATOM 0 H LEU A 14 13.017 -4.738 -2.014 1.00 33.15 H new ATOM 0 HA LEU A 14 12.383 -3.260 0.362 1.00 74.12 H new ATOM 0 HB2 LEU A 14 12.828 -2.415 -2.010 1.00 71.00 H new ATOM 0 HB3 LEU A 14 11.233 -2.998 -2.443 1.00 71.00 H new ATOM 0 HG LEU A 14 11.552 -1.028 -0.183 1.00 21.22 H new ATOM 0 HD11 LEU A 14 11.241 0.879 -1.792 1.00 12.02 H new ATOM 0 HD12 LEU A 14 12.777 0.018 -2.051 1.00 12.02 H new ATOM 0 HD13 LEU A 14 11.402 -0.267 -3.144 1.00 12.02 H new ATOM 0 HD21 LEU A 14 9.283 -0.244 -0.895 1.00 65.55 H new ATOM 0 HD22 LEU A 14 9.289 -1.468 -2.187 1.00 65.55 H new ATOM 0 HD23 LEU A 14 9.305 -1.975 -0.481 1.00 65.55 H new ATOM 252 N ILE A 15 10.005 -5.178 -0.931 1.00 51.21 N ATOM 253 CA ILE A 15 8.703 -5.837 -0.690 1.00 63.04 C ATOM 254 C ILE A 15 8.728 -6.649 0.615 1.00 33.13 C ATOM 255 O ILE A 15 7.833 -6.512 1.452 1.00 30.10 O ATOM 256 CB ILE A 15 8.321 -6.787 -1.894 1.00 32.14 C ATOM 257 CG1 ILE A 15 8.100 -5.971 -3.203 1.00 50.32 C ATOM 258 CG2 ILE A 15 7.082 -7.665 -1.576 1.00 3.31 C ATOM 259 CD1 ILE A 15 7.841 -6.819 -4.440 1.00 63.34 C ATOM 0 H ILE A 15 10.455 -5.477 -1.797 1.00 51.21 H new ATOM 0 HA ILE A 15 7.951 -5.052 -0.603 1.00 63.04 H new ATOM 0 HB ILE A 15 9.164 -7.461 -2.047 1.00 32.14 H new ATOM 0 HG12 ILE A 15 7.256 -5.296 -3.057 1.00 50.32 H new ATOM 0 HG13 ILE A 15 8.978 -5.350 -3.381 1.00 50.32 H new ATOM 0 HG21 ILE A 15 6.857 -8.301 -2.432 1.00 3.31 H new ATOM 0 HG22 ILE A 15 7.291 -8.288 -0.706 1.00 3.31 H new ATOM 0 HG23 ILE A 15 6.226 -7.024 -1.366 1.00 3.31 H new ATOM 0 HD11 ILE A 15 7.699 -6.169 -5.303 1.00 63.34 H new ATOM 0 HD12 ILE A 15 8.693 -7.475 -4.616 1.00 63.34 H new ATOM 0 HD13 ILE A 15 6.945 -7.421 -4.287 1.00 63.34 H new ATOM 271 N GLU A 16 9.767 -7.490 0.749 1.00 53.03 N ATOM 272 CA GLU A 16 9.937 -8.406 1.887 1.00 35.14 C ATOM 273 C GLU A 16 10.089 -7.617 3.185 1.00 63.34 C ATOM 274 O GLU A 16 9.371 -7.888 4.131 1.00 75.42 O ATOM 275 CB GLU A 16 11.136 -9.362 1.660 1.00 55.44 C ATOM 276 CG GLU A 16 10.934 -10.334 0.485 1.00 42.11 C ATOM 277 CD GLU A 16 12.150 -11.217 0.216 1.00 42.23 C ATOM 278 OE1 GLU A 16 13.135 -10.730 -0.386 1.00 71.31 O ATOM 279 OE2 GLU A 16 12.135 -12.405 0.609 1.00 45.23 O ATOM 0 H GLU A 16 10.519 -7.553 0.063 1.00 53.03 H new ATOM 0 HA GLU A 16 9.043 -9.024 1.970 1.00 35.14 H new ATOM 0 HB2 GLU A 16 12.033 -8.770 1.481 1.00 55.44 H new ATOM 0 HB3 GLU A 16 11.310 -9.936 2.570 1.00 55.44 H new ATOM 0 HG2 GLU A 16 10.072 -10.968 0.691 1.00 42.11 H new ATOM 0 HG3 GLU A 16 10.702 -9.763 -0.414 1.00 42.11 H new ATOM 286 N GLU A 17 10.984 -6.604 3.183 1.00 55.43 N ATOM 287 CA GLU A 17 11.236 -5.724 4.352 1.00 43.13 C ATOM 288 C GLU A 17 9.942 -5.070 4.871 1.00 1.33 C ATOM 289 O GLU A 17 9.700 -5.029 6.089 1.00 43.45 O ATOM 290 CB GLU A 17 12.288 -4.630 3.992 1.00 22.50 C ATOM 291 CG GLU A 17 13.753 -5.121 3.998 1.00 52.50 C ATOM 292 CD GLU A 17 14.219 -5.593 5.388 1.00 35.35 C ATOM 293 OE1 GLU A 17 14.485 -4.737 6.259 1.00 34.04 O ATOM 294 OE2 GLU A 17 14.310 -6.821 5.620 1.00 64.11 O ATOM 0 H GLU A 17 11.554 -6.371 2.370 1.00 55.43 H new ATOM 0 HA GLU A 17 11.630 -6.351 5.152 1.00 43.13 H new ATOM 0 HB2 GLU A 17 12.056 -4.232 3.004 1.00 22.50 H new ATOM 0 HB3 GLU A 17 12.192 -3.805 4.698 1.00 22.50 H new ATOM 0 HG2 GLU A 17 13.860 -5.940 3.287 1.00 52.50 H new ATOM 0 HG3 GLU A 17 14.403 -4.315 3.656 1.00 52.50 H new ATOM 301 N ALA A 18 9.134 -4.554 3.929 1.00 72.22 N ATOM 302 CA ALA A 18 7.836 -3.937 4.235 1.00 51.03 C ATOM 303 C ALA A 18 6.839 -4.980 4.793 1.00 4.41 C ATOM 304 O ALA A 18 6.161 -4.731 5.794 1.00 31.05 O ATOM 305 CB ALA A 18 7.276 -3.263 2.972 1.00 71.02 C ATOM 0 H ALA A 18 9.364 -4.554 2.935 1.00 72.22 H new ATOM 0 HA ALA A 18 7.981 -3.181 5.007 1.00 51.03 H new ATOM 0 HB1 ALA A 18 6.313 -2.806 3.200 1.00 71.02 H new ATOM 0 HB2 ALA A 18 7.971 -2.495 2.631 1.00 71.02 H new ATOM 0 HB3 ALA A 18 7.147 -4.009 2.188 1.00 71.02 H new ATOM 311 N ARG A 19 6.779 -6.151 4.131 1.00 21.41 N ATOM 312 CA ARG A 19 5.808 -7.222 4.450 1.00 64.10 C ATOM 313 C ARG A 19 6.071 -7.829 5.836 1.00 1.42 C ATOM 314 O ARG A 19 5.132 -8.212 6.537 1.00 22.24 O ATOM 315 CB ARG A 19 5.824 -8.317 3.348 1.00 41.11 C ATOM 316 CG ARG A 19 4.607 -9.266 3.396 1.00 2.40 C ATOM 317 CD ARG A 19 4.598 -10.305 2.263 1.00 45.45 C ATOM 318 NE ARG A 19 5.734 -11.234 2.354 1.00 15.23 N ATOM 319 CZ ARG A 19 5.810 -12.294 3.183 1.00 50.15 C ATOM 320 NH1 ARG A 19 4.810 -12.586 4.016 1.00 43.40 N ATOM 321 NH2 ARG A 19 6.895 -13.049 3.172 1.00 31.23 N ATOM 0 H ARG A 19 7.402 -6.384 3.358 1.00 21.41 H new ATOM 0 HA ARG A 19 4.814 -6.775 4.476 1.00 64.10 H new ATOM 0 HB2 ARG A 19 5.859 -7.836 2.371 1.00 41.11 H new ATOM 0 HB3 ARG A 19 6.736 -8.905 3.447 1.00 41.11 H new ATOM 0 HG2 ARG A 19 4.598 -9.785 4.355 1.00 2.40 H new ATOM 0 HG3 ARG A 19 3.693 -8.675 3.344 1.00 2.40 H new ATOM 0 HD2 ARG A 19 3.666 -10.869 2.297 1.00 45.45 H new ATOM 0 HD3 ARG A 19 4.626 -9.792 1.302 1.00 45.45 H new ATOM 0 HE ARG A 19 6.530 -11.062 1.739 1.00 15.23 H new ATOM 0 HH11 ARG A 19 3.973 -12.004 4.032 1.00 43.40 H new ATOM 0 HH12 ARG A 19 4.883 -13.392 4.637 1.00 43.40 H new ATOM 0 HH21 ARG A 19 7.664 -12.827 2.540 1.00 31.23 H new ATOM 0 HH22 ARG A 19 6.963 -13.854 3.795 1.00 31.23 H new ATOM 335 N LYS A 20 7.363 -7.891 6.216 1.00 63.42 N ATOM 336 CA LYS A 20 7.795 -8.338 7.552 1.00 30.11 C ATOM 337 C LYS A 20 7.177 -7.430 8.613 1.00 12.21 C ATOM 338 O LYS A 20 6.542 -7.916 9.546 1.00 62.43 O ATOM 339 CB LYS A 20 9.341 -8.324 7.680 1.00 51.42 C ATOM 340 CG LYS A 20 10.070 -9.304 6.749 1.00 62.31 C ATOM 341 CD LYS A 20 11.603 -9.094 6.742 1.00 24.24 C ATOM 342 CE LYS A 20 12.299 -9.887 5.625 1.00 61.04 C ATOM 343 NZ LYS A 20 13.773 -9.712 5.635 1.00 2.14 N ATOM 0 H LYS A 20 8.136 -7.632 5.603 1.00 63.42 H new ATOM 0 HA LYS A 20 7.457 -9.364 7.698 1.00 30.11 H new ATOM 0 HB2 LYS A 20 9.700 -7.315 7.476 1.00 51.42 H new ATOM 0 HB3 LYS A 20 9.609 -8.556 8.711 1.00 51.42 H new ATOM 0 HG2 LYS A 20 9.849 -10.325 7.059 1.00 62.31 H new ATOM 0 HG3 LYS A 20 9.687 -9.188 5.735 1.00 62.31 H new ATOM 0 HD2 LYS A 20 11.821 -8.033 6.620 1.00 24.24 H new ATOM 0 HD3 LYS A 20 12.012 -9.395 7.706 1.00 24.24 H new ATOM 0 HE2 LYS A 20 12.062 -10.945 5.733 1.00 61.04 H new ATOM 0 HE3 LYS A 20 11.906 -9.569 4.659 1.00 61.04 H new ATOM 0 HZ1 LYS A 20 14.181 -10.154 4.787 1.00 2.14 H new ATOM 0 HZ2 LYS A 20 14.002 -8.698 5.641 1.00 2.14 H new ATOM 0 HZ3 LYS A 20 14.170 -10.162 6.485 1.00 2.14 H new ATOM 357 N MET A 21 7.333 -6.100 8.413 1.00 73.33 N ATOM 358 CA MET A 21 6.803 -5.071 9.331 1.00 43.25 C ATOM 359 C MET A 21 5.287 -5.163 9.464 1.00 71.34 C ATOM 360 O MET A 21 4.753 -4.952 10.551 1.00 55.41 O ATOM 361 CB MET A 21 7.190 -3.646 8.857 1.00 71.20 C ATOM 362 CG MET A 21 8.638 -3.272 9.150 1.00 3.42 C ATOM 363 SD MET A 21 9.054 -3.422 10.901 1.00 51.43 S ATOM 364 CE MET A 21 7.816 -2.367 11.658 1.00 54.33 C ATOM 0 H MET A 21 7.830 -5.713 7.611 1.00 73.33 H new ATOM 0 HA MET A 21 7.251 -5.259 10.307 1.00 43.25 H new ATOM 0 HB2 MET A 21 7.015 -3.570 7.784 1.00 71.20 H new ATOM 0 HB3 MET A 21 6.533 -2.922 9.339 1.00 71.20 H new ATOM 0 HG2 MET A 21 9.300 -3.913 8.567 1.00 3.42 H new ATOM 0 HG3 MET A 21 8.818 -2.247 8.824 1.00 3.42 H new ATOM 0 HE1 MET A 21 8.047 -2.236 12.715 1.00 54.33 H new ATOM 0 HE2 MET A 21 7.814 -1.396 11.164 1.00 54.33 H new ATOM 0 HE3 MET A 21 6.833 -2.828 11.556 1.00 54.33 H new ATOM 374 N ALA A 22 4.620 -5.453 8.338 1.00 40.40 N ATOM 375 CA ALA A 22 3.168 -5.602 8.291 1.00 44.14 C ATOM 376 C ALA A 22 2.709 -6.779 9.171 1.00 24.14 C ATOM 377 O ALA A 22 1.824 -6.612 9.986 1.00 3.13 O ATOM 378 CB ALA A 22 2.706 -5.776 6.846 1.00 42.03 C ATOM 0 H ALA A 22 5.077 -5.590 7.436 1.00 40.40 H new ATOM 0 HA ALA A 22 2.709 -4.697 8.690 1.00 44.14 H new ATOM 0 HB1 ALA A 22 1.622 -5.886 6.821 1.00 42.03 H new ATOM 0 HB2 ALA A 22 2.995 -4.901 6.264 1.00 42.03 H new ATOM 0 HB3 ALA A 22 3.171 -6.665 6.420 1.00 42.03 H new ATOM 384 N GLU A 23 3.368 -7.947 9.029 1.00 0.43 N ATOM 385 CA GLU A 23 3.025 -9.168 9.800 1.00 0.00 C ATOM 386 C GLU A 23 3.310 -8.964 11.305 1.00 41.03 C ATOM 387 O GLU A 23 2.520 -9.383 12.163 1.00 34.30 O ATOM 388 CB GLU A 23 3.816 -10.383 9.247 1.00 43.44 C ATOM 389 CG GLU A 23 3.497 -10.722 7.779 1.00 52.24 C ATOM 390 CD GLU A 23 4.346 -11.880 7.226 1.00 33.14 C ATOM 391 OE1 GLU A 23 5.488 -11.639 6.774 1.00 62.24 O ATOM 392 OE2 GLU A 23 3.878 -13.044 7.254 1.00 63.41 O ATOM 0 H GLU A 23 4.147 -8.074 8.383 1.00 0.43 H new ATOM 0 HA GLU A 23 1.959 -9.366 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.883 -10.181 9.339 1.00 43.44 H new ATOM 0 HB3 GLU A 23 3.602 -11.255 9.865 1.00 43.44 H new ATOM 0 HG2 GLU A 23 2.442 -10.981 7.694 1.00 52.24 H new ATOM 0 HG3 GLU A 23 3.659 -9.836 7.165 1.00 52.24 H new ATOM 399 N LYS A 24 4.429 -8.276 11.593 1.00 62.31 N ATOM 400 CA LYS A 24 4.855 -7.909 12.964 1.00 74.13 C ATOM 401 C LYS A 24 3.882 -6.889 13.602 1.00 75.04 C ATOM 402 O LYS A 24 3.693 -6.884 14.820 1.00 25.01 O ATOM 403 CB LYS A 24 6.301 -7.330 12.915 1.00 72.25 C ATOM 404 CG LYS A 24 7.412 -8.369 12.602 1.00 13.32 C ATOM 405 CD LYS A 24 8.701 -7.727 12.025 1.00 62.14 C ATOM 406 CE LYS A 24 9.326 -6.651 12.929 1.00 12.03 C ATOM 407 NZ LYS A 24 10.469 -5.973 12.260 1.00 14.32 N ATOM 0 H LYS A 24 5.075 -7.953 10.873 1.00 62.31 H new ATOM 0 HA LYS A 24 4.842 -8.804 13.586 1.00 74.13 H new ATOM 0 HB2 LYS A 24 6.336 -6.544 12.161 1.00 72.25 H new ATOM 0 HB3 LYS A 24 6.522 -6.862 13.874 1.00 72.25 H new ATOM 0 HG2 LYS A 24 7.661 -8.912 13.514 1.00 13.32 H new ATOM 0 HG3 LYS A 24 7.028 -9.100 11.891 1.00 13.32 H new ATOM 0 HD2 LYS A 24 9.437 -8.511 11.850 1.00 62.14 H new ATOM 0 HD3 LYS A 24 8.471 -7.283 11.056 1.00 62.14 H new ATOM 0 HE2 LYS A 24 8.569 -5.913 13.195 1.00 12.03 H new ATOM 0 HE3 LYS A 24 9.666 -7.108 13.858 1.00 12.03 H new ATOM 0 HZ1 LYS A 24 11.156 -5.663 12.976 1.00 14.32 H new ATOM 0 HZ2 LYS A 24 10.929 -6.635 11.603 1.00 14.32 H new ATOM 0 HZ3 LYS A 24 10.122 -5.146 11.733 1.00 14.32 H new ATOM 421 N ALA A 25 3.276 -6.032 12.758 1.00 64.22 N ATOM 422 CA ALA A 25 2.291 -5.011 13.189 1.00 50.11 C ATOM 423 C ALA A 25 0.842 -5.537 13.073 1.00 54.33 C ATOM 424 O ALA A 25 -0.096 -4.872 13.534 1.00 51.11 O ATOM 425 CB ALA A 25 2.473 -3.728 12.355 1.00 13.51 C ATOM 0 H ALA A 25 3.454 -6.025 11.754 1.00 64.22 H new ATOM 0 HA ALA A 25 2.470 -4.784 14.240 1.00 50.11 H new ATOM 0 HB1 ALA A 25 1.747 -2.980 12.675 1.00 13.51 H new ATOM 0 HB2 ALA A 25 3.481 -3.340 12.499 1.00 13.51 H new ATOM 0 HB3 ALA A 25 2.319 -3.955 11.300 1.00 13.51 H new ATOM 431 N ASN A 26 0.686 -6.733 12.452 1.00 33.45 N ATOM 432 CA ASN A 26 -0.619 -7.366 12.165 1.00 42.33 C ATOM 433 C ASN A 26 -1.511 -6.439 11.308 1.00 64.13 C ATOM 434 O ASN A 26 -2.600 -6.014 11.714 1.00 30.15 O ATOM 435 CB ASN A 26 -1.317 -7.867 13.464 1.00 30.12 C ATOM 436 CG ASN A 26 -0.574 -9.046 14.112 1.00 31.11 C ATOM 437 OD1 ASN A 26 -0.887 -10.208 13.866 1.00 24.44 O ATOM 438 ND2 ASN A 26 0.447 -8.762 14.905 1.00 21.33 N ATOM 0 H ASN A 26 1.478 -7.291 12.133 1.00 33.45 H new ATOM 0 HA ASN A 26 -0.439 -8.259 11.566 1.00 42.33 H new ATOM 0 HB2 ASN A 26 -1.382 -7.046 14.178 1.00 30.12 H new ATOM 0 HB3 ASN A 26 -2.338 -8.169 13.231 1.00 30.12 H new ATOM 0 HD21 ASN A 26 0.991 -9.515 15.325 1.00 21.33 H new ATOM 0 HD22 ASN A 26 0.690 -7.790 15.096 1.00 21.33 H new ATOM 445 N LEU A 27 -0.967 -6.096 10.130 1.00 4.42 N ATOM 446 CA LEU A 27 -1.627 -5.322 9.071 1.00 71.51 C ATOM 447 C LEU A 27 -1.654 -6.190 7.809 1.00 50.50 C ATOM 448 O LEU A 27 -0.649 -6.841 7.490 1.00 71.12 O ATOM 449 CB LEU A 27 -0.857 -3.995 8.769 1.00 60.40 C ATOM 450 CG LEU A 27 -0.693 -2.984 9.948 1.00 41.32 C ATOM 451 CD1 LEU A 27 -0.017 -1.681 9.474 1.00 22.13 C ATOM 452 CD2 LEU A 27 -2.044 -2.694 10.623 1.00 51.24 C ATOM 0 H LEU A 27 -0.015 -6.363 9.880 1.00 4.42 H new ATOM 0 HA LEU A 27 -2.634 -5.055 9.393 1.00 71.51 H new ATOM 0 HB2 LEU A 27 0.137 -4.256 8.406 1.00 60.40 H new ATOM 0 HB3 LEU A 27 -1.370 -3.484 7.954 1.00 60.40 H new ATOM 0 HG LEU A 27 -0.042 -3.444 10.692 1.00 41.32 H new ATOM 0 HD11 LEU A 27 0.084 -0.996 10.316 1.00 22.13 H new ATOM 0 HD12 LEU A 27 0.970 -1.909 9.071 1.00 22.13 H new ATOM 0 HD13 LEU A 27 -0.627 -1.216 8.699 1.00 22.13 H new ATOM 0 HD21 LEU A 27 -1.898 -1.987 11.440 1.00 51.24 H new ATOM 0 HD22 LEU A 27 -2.732 -2.268 9.893 1.00 51.24 H new ATOM 0 HD23 LEU A 27 -2.461 -3.621 11.016 1.00 51.24 H new ATOM 464 N GLU A 28 -2.779 -6.188 7.081 1.00 34.41 N ATOM 465 CA GLU A 28 -2.947 -7.005 5.869 1.00 21.54 C ATOM 466 C GLU A 28 -2.225 -6.336 4.690 1.00 53.35 C ATOM 467 O GLU A 28 -2.766 -5.419 4.065 1.00 63.41 O ATOM 468 CB GLU A 28 -4.457 -7.199 5.559 1.00 74.34 C ATOM 469 CG GLU A 28 -5.198 -8.182 6.488 1.00 32.04 C ATOM 470 CD GLU A 28 -4.864 -9.656 6.190 1.00 14.23 C ATOM 471 OE1 GLU A 28 -5.536 -10.265 5.324 1.00 52.21 O ATOM 472 OE2 GLU A 28 -3.931 -10.220 6.808 1.00 23.21 O ATOM 0 H GLU A 28 -3.596 -5.623 7.313 1.00 34.41 H new ATOM 0 HA GLU A 28 -2.507 -7.989 6.032 1.00 21.54 H new ATOM 0 HB2 GLU A 28 -4.951 -6.229 5.616 1.00 74.34 H new ATOM 0 HB3 GLU A 28 -4.558 -7.549 4.532 1.00 74.34 H new ATOM 0 HG2 GLU A 28 -4.941 -7.959 7.524 1.00 32.04 H new ATOM 0 HG3 GLU A 28 -6.273 -8.030 6.386 1.00 32.04 H new ATOM 479 N LEU A 29 -0.990 -6.788 4.411 1.00 30.33 N ATOM 480 CA LEU A 29 -0.191 -6.278 3.289 1.00 70.14 C ATOM 481 C LEU A 29 -0.376 -7.210 2.091 1.00 2.13 C ATOM 482 O LEU A 29 -0.266 -8.439 2.222 1.00 34.23 O ATOM 483 CB LEU A 29 1.308 -6.119 3.661 1.00 34.51 C ATOM 484 CG LEU A 29 2.242 -5.447 2.571 1.00 3.40 C ATOM 485 CD1 LEU A 29 3.394 -4.652 3.215 1.00 4.20 C ATOM 486 CD2 LEU A 29 2.809 -6.484 1.563 1.00 42.34 C ATOM 0 H LEU A 29 -0.522 -7.513 4.955 1.00 30.33 H new ATOM 0 HA LEU A 29 -0.542 -5.279 3.032 1.00 70.14 H new ATOM 0 HB2 LEU A 29 1.371 -5.528 4.575 1.00 34.51 H new ATOM 0 HB3 LEU A 29 1.709 -7.106 3.891 1.00 34.51 H new ATOM 0 HG LEU A 29 1.610 -4.752 2.019 1.00 3.40 H new ATOM 0 HD11 LEU A 29 4.011 -4.207 2.434 1.00 4.20 H new ATOM 0 HD12 LEU A 29 2.984 -3.864 3.846 1.00 4.20 H new ATOM 0 HD13 LEU A 29 4.004 -5.322 3.821 1.00 4.20 H new ATOM 0 HD21 LEU A 29 3.443 -5.976 0.836 1.00 42.34 H new ATOM 0 HD22 LEU A 29 3.397 -7.229 2.099 1.00 42.34 H new ATOM 0 HD23 LEU A 29 1.986 -6.976 1.045 1.00 42.34 H new ATOM 498 N ARG A 30 -0.638 -6.608 0.928 1.00 14.11 N ATOM 499 CA ARG A 30 -0.871 -7.308 -0.334 1.00 14.55 C ATOM 500 C ARG A 30 0.024 -6.694 -1.413 1.00 2.32 C ATOM 501 O ARG A 30 0.048 -5.466 -1.595 1.00 2.31 O ATOM 502 CB ARG A 30 -2.371 -7.224 -0.714 1.00 3.10 C ATOM 503 CG ARG A 30 -3.314 -7.914 0.303 1.00 12.53 C ATOM 504 CD ARG A 30 -3.000 -9.417 0.455 1.00 13.23 C ATOM 505 NE ARG A 30 -3.665 -10.014 1.618 1.00 14.21 N ATOM 506 CZ ARG A 30 -3.417 -11.241 2.106 1.00 71.24 C ATOM 507 NH1 ARG A 30 -2.501 -12.032 1.542 1.00 0.25 N ATOM 508 NH2 ARG A 30 -4.087 -11.673 3.163 1.00 31.24 N ATOM 0 H ARG A 30 -0.695 -5.594 0.838 1.00 14.11 H new ATOM 0 HA ARG A 30 -0.618 -8.364 -0.236 1.00 14.55 H new ATOM 0 HB2 ARG A 30 -2.655 -6.176 -0.805 1.00 3.10 H new ATOM 0 HB3 ARG A 30 -2.514 -7.679 -1.694 1.00 3.10 H new ATOM 0 HG2 ARG A 30 -3.222 -7.425 1.273 1.00 12.53 H new ATOM 0 HG3 ARG A 30 -4.348 -7.790 -0.020 1.00 12.53 H new ATOM 0 HD2 ARG A 30 -3.311 -9.943 -0.447 1.00 13.23 H new ATOM 0 HD3 ARG A 30 -1.922 -9.552 0.547 1.00 13.23 H new ATOM 0 HE ARG A 30 -4.372 -9.453 2.094 1.00 14.21 H new ATOM 0 HH11 ARG A 30 -1.978 -11.707 0.729 1.00 0.25 H new ATOM 0 HH12 ARG A 30 -2.324 -12.961 1.924 1.00 0.25 H new ATOM 0 HH21 ARG A 30 -4.787 -11.075 3.602 1.00 31.24 H new ATOM 0 HH22 ARG A 30 -3.903 -12.604 3.538 1.00 31.24 H new ATOM 522 N THR A 31 0.779 -7.558 -2.095 1.00 33.32 N ATOM 523 CA THR A 31 1.775 -7.163 -3.087 1.00 21.13 C ATOM 524 C THR A 31 1.084 -6.909 -4.436 1.00 4.25 C ATOM 525 O THR A 31 0.446 -7.811 -4.999 1.00 24.23 O ATOM 526 CB THR A 31 2.879 -8.265 -3.206 1.00 2.40 C ATOM 527 OG1 THR A 31 2.298 -9.524 -3.588 1.00 73.55 O ATOM 528 CG2 THR A 31 3.621 -8.457 -1.874 1.00 21.34 C ATOM 0 H THR A 31 0.712 -8.568 -1.970 1.00 33.32 H new ATOM 0 HA THR A 31 2.261 -6.239 -2.774 1.00 21.13 H new ATOM 0 HB THR A 31 3.584 -7.932 -3.968 1.00 2.40 H new ATOM 0 HG1 THR A 31 1.558 -9.367 -4.211 1.00 73.55 H new ATOM 0 HG21 THR A 31 4.382 -9.229 -1.989 1.00 21.34 H new ATOM 0 HG22 THR A 31 4.096 -7.520 -1.584 1.00 21.34 H new ATOM 0 HG23 THR A 31 2.912 -8.758 -1.103 1.00 21.34 H new ATOM 536 N VAL A 32 1.170 -5.660 -4.906 1.00 75.14 N ATOM 537 CA VAL A 32 0.548 -5.205 -6.156 1.00 4.02 C ATOM 538 C VAL A 32 1.606 -5.072 -7.263 1.00 0.23 C ATOM 539 O VAL A 32 2.706 -4.551 -7.030 1.00 42.25 O ATOM 540 CB VAL A 32 -0.178 -3.826 -5.949 1.00 51.00 C ATOM 541 CG1 VAL A 32 -0.763 -3.284 -7.278 1.00 15.22 C ATOM 542 CG2 VAL A 32 -1.275 -3.933 -4.859 1.00 42.02 C ATOM 0 H VAL A 32 1.682 -4.924 -4.421 1.00 75.14 H new ATOM 0 HA VAL A 32 -0.191 -5.948 -6.455 1.00 4.02 H new ATOM 0 HB VAL A 32 0.570 -3.111 -5.606 1.00 51.00 H new ATOM 0 HG11 VAL A 32 -1.257 -2.330 -7.096 1.00 15.22 H new ATOM 0 HG12 VAL A 32 0.042 -3.144 -7.999 1.00 15.22 H new ATOM 0 HG13 VAL A 32 -1.486 -3.997 -7.675 1.00 15.22 H new ATOM 0 HG21 VAL A 32 -1.761 -2.965 -4.736 1.00 42.02 H new ATOM 0 HG22 VAL A 32 -2.015 -4.675 -5.159 1.00 42.02 H new ATOM 0 HG23 VAL A 32 -0.821 -4.234 -3.915 1.00 42.02 H new ATOM 552 N LYS A 33 1.258 -5.557 -8.466 1.00 60.43 N ATOM 553 CA LYS A 33 2.080 -5.404 -9.671 1.00 24.45 C ATOM 554 C LYS A 33 1.601 -4.185 -10.480 1.00 40.24 C ATOM 555 O LYS A 33 2.237 -3.126 -10.467 1.00 12.13 O ATOM 556 CB LYS A 33 2.008 -6.697 -10.529 1.00 44.42 C ATOM 557 CG LYS A 33 2.464 -7.976 -9.798 1.00 13.24 C ATOM 558 CD LYS A 33 2.230 -9.243 -10.652 1.00 15.51 C ATOM 559 CE LYS A 33 2.622 -10.540 -9.936 1.00 0.12 C ATOM 560 NZ LYS A 33 2.403 -11.732 -10.799 1.00 2.03 N ATOM 0 H LYS A 33 0.391 -6.070 -8.628 1.00 60.43 H new ATOM 0 HA LYS A 33 3.118 -5.240 -9.381 1.00 24.45 H new ATOM 0 HB2 LYS A 33 0.982 -6.835 -10.870 1.00 44.42 H new ATOM 0 HB3 LYS A 33 2.624 -6.563 -11.418 1.00 44.42 H new ATOM 0 HG2 LYS A 33 3.523 -7.895 -9.551 1.00 13.24 H new ATOM 0 HG3 LYS A 33 1.923 -8.068 -8.856 1.00 13.24 H new ATOM 0 HD2 LYS A 33 1.178 -9.295 -10.931 1.00 15.51 H new ATOM 0 HD3 LYS A 33 2.802 -9.160 -11.576 1.00 15.51 H new ATOM 0 HE2 LYS A 33 3.670 -10.491 -9.642 1.00 0.12 H new ATOM 0 HE3 LYS A 33 2.039 -10.641 -9.021 1.00 0.12 H new ATOM 0 HZ1 LYS A 33 2.679 -12.591 -10.281 1.00 2.03 H new ATOM 0 HZ2 LYS A 33 1.398 -11.793 -11.059 1.00 2.03 H new ATOM 0 HZ3 LYS A 33 2.979 -11.647 -11.661 1.00 2.03 H new ATOM 574 N THR A 34 0.442 -4.337 -11.132 1.00 73.15 N ATOM 575 CA THR A 34 -0.049 -3.409 -12.166 1.00 63.53 C ATOM 576 C THR A 34 -1.301 -2.643 -11.694 1.00 73.10 C ATOM 577 O THR A 34 -1.754 -2.820 -10.556 1.00 10.31 O ATOM 578 CB THR A 34 -0.372 -4.225 -13.467 1.00 23.44 C ATOM 579 OG1 THR A 34 -1.344 -5.252 -13.181 1.00 12.10 O ATOM 580 CG2 THR A 34 0.896 -4.871 -14.065 1.00 34.02 C ATOM 0 H THR A 34 -0.192 -5.117 -10.956 1.00 73.15 H new ATOM 0 HA THR A 34 0.726 -2.670 -12.368 1.00 63.53 H new ATOM 0 HB THR A 34 -0.777 -3.526 -14.199 1.00 23.44 H new ATOM 0 HG1 THR A 34 -1.540 -5.754 -13.999 1.00 12.10 H new ATOM 0 HG21 THR A 34 0.631 -5.427 -14.964 1.00 34.02 H new ATOM 0 HG22 THR A 34 1.616 -4.093 -14.318 1.00 34.02 H new ATOM 0 HG23 THR A 34 1.337 -5.550 -13.335 1.00 34.02 H new ATOM 588 N GLU A 35 -1.846 -1.789 -12.596 1.00 44.50 N ATOM 589 CA GLU A 35 -3.127 -1.081 -12.389 1.00 30.24 C ATOM 590 C GLU A 35 -4.263 -2.094 -12.231 1.00 62.24 C ATOM 591 O GLU A 35 -5.177 -1.875 -11.435 1.00 30.44 O ATOM 592 CB GLU A 35 -3.435 -0.135 -13.585 1.00 20.24 C ATOM 593 CG GLU A 35 -4.857 0.493 -13.565 1.00 21.10 C ATOM 594 CD GLU A 35 -5.198 1.338 -14.797 1.00 65.42 C ATOM 595 OE1 GLU A 35 -4.887 0.909 -15.926 1.00 1.44 O ATOM 596 OE2 GLU A 35 -5.774 2.440 -14.647 1.00 23.33 O ATOM 0 H GLU A 35 -1.405 -1.574 -13.490 1.00 44.50 H new ATOM 0 HA GLU A 35 -3.044 -0.481 -11.483 1.00 30.24 H new ATOM 0 HB2 GLU A 35 -2.698 0.668 -13.595 1.00 20.24 H new ATOM 0 HB3 GLU A 35 -3.312 -0.693 -14.513 1.00 20.24 H new ATOM 0 HG2 GLU A 35 -5.592 -0.307 -13.474 1.00 21.10 H new ATOM 0 HG3 GLU A 35 -4.952 1.116 -12.676 1.00 21.10 H new ATOM 603 N ASP A 36 -4.176 -3.205 -12.999 1.00 11.15 N ATOM 604 CA ASP A 36 -5.142 -4.319 -12.929 1.00 74.13 C ATOM 605 C ASP A 36 -5.247 -4.831 -11.493 1.00 12.54 C ATOM 606 O ASP A 36 -6.346 -4.962 -10.971 1.00 1.32 O ATOM 607 CB ASP A 36 -4.728 -5.490 -13.862 1.00 64.22 C ATOM 608 CG ASP A 36 -4.667 -5.083 -15.336 1.00 71.04 C ATOM 609 OD1 ASP A 36 -3.672 -4.441 -15.735 1.00 51.11 O ATOM 610 OD2 ASP A 36 -5.606 -5.393 -16.103 1.00 3.24 O ATOM 0 H ASP A 36 -3.434 -3.351 -13.683 1.00 11.15 H new ATOM 0 HA ASP A 36 -6.109 -3.940 -13.260 1.00 74.13 H new ATOM 0 HB2 ASP A 36 -3.753 -5.867 -13.553 1.00 64.22 H new ATOM 0 HB3 ASP A 36 -5.437 -6.309 -13.745 1.00 64.22 H new ATOM 615 N GLU A 37 -4.076 -5.047 -10.862 1.00 42.33 N ATOM 616 CA GLU A 37 -3.968 -5.603 -9.503 1.00 63.33 C ATOM 617 C GLU A 37 -4.323 -4.576 -8.422 1.00 41.10 C ATOM 618 O GLU A 37 -4.905 -4.942 -7.395 1.00 12.02 O ATOM 619 CB GLU A 37 -2.541 -6.158 -9.279 1.00 75.32 C ATOM 620 CG GLU A 37 -2.113 -7.213 -10.322 1.00 11.03 C ATOM 621 CD GLU A 37 -3.111 -8.389 -10.430 1.00 71.03 C ATOM 622 OE1 GLU A 37 -3.138 -9.254 -9.524 1.00 4.22 O ATOM 623 OE2 GLU A 37 -3.876 -8.451 -11.421 1.00 65.30 O ATOM 0 H GLU A 37 -3.172 -4.838 -11.287 1.00 42.33 H new ATOM 0 HA GLU A 37 -4.693 -6.412 -9.417 1.00 63.33 H new ATOM 0 HB2 GLU A 37 -1.832 -5.331 -9.300 1.00 75.32 H new ATOM 0 HB3 GLU A 37 -2.485 -6.600 -8.284 1.00 75.32 H new ATOM 0 HG2 GLU A 37 -2.015 -6.735 -11.297 1.00 11.03 H new ATOM 0 HG3 GLU A 37 -1.129 -7.601 -10.057 1.00 11.03 H new ATOM 630 N LEU A 38 -3.976 -3.299 -8.658 1.00 41.21 N ATOM 631 CA LEU A 38 -4.255 -2.211 -7.702 1.00 14.24 C ATOM 632 C LEU A 38 -5.777 -2.039 -7.597 1.00 22.01 C ATOM 633 O LEU A 38 -6.327 -2.012 -6.496 1.00 14.32 O ATOM 634 CB LEU A 38 -3.521 -0.899 -8.145 1.00 72.43 C ATOM 635 CG LEU A 38 -3.267 0.207 -7.047 1.00 62.35 C ATOM 636 CD1 LEU A 38 -4.531 1.003 -6.684 1.00 74.24 C ATOM 637 CD2 LEU A 38 -2.633 -0.403 -5.780 1.00 53.34 C ATOM 0 H LEU A 38 -3.500 -2.993 -9.506 1.00 41.21 H new ATOM 0 HA LEU A 38 -3.871 -2.454 -6.711 1.00 14.24 H new ATOM 0 HB2 LEU A 38 -2.556 -1.181 -8.567 1.00 72.43 H new ATOM 0 HB3 LEU A 38 -4.100 -0.446 -8.949 1.00 72.43 H new ATOM 0 HG LEU A 38 -2.567 0.915 -7.490 1.00 62.35 H new ATOM 0 HD11 LEU A 38 -4.287 1.746 -5.925 1.00 74.24 H new ATOM 0 HD12 LEU A 38 -4.913 1.504 -7.573 1.00 74.24 H new ATOM 0 HD13 LEU A 38 -5.290 0.324 -6.296 1.00 74.24 H new ATOM 0 HD21 LEU A 38 -2.469 0.382 -5.041 1.00 53.34 H new ATOM 0 HD22 LEU A 38 -3.302 -1.158 -5.366 1.00 53.34 H new ATOM 0 HD23 LEU A 38 -1.679 -0.864 -6.036 1.00 53.34 H new ATOM 649 N LYS A 39 -6.439 -2.007 -8.768 1.00 4.34 N ATOM 650 CA LYS A 39 -7.904 -1.922 -8.867 1.00 62.53 C ATOM 651 C LYS A 39 -8.554 -3.192 -8.313 1.00 44.14 C ATOM 652 O LYS A 39 -9.561 -3.108 -7.647 1.00 43.02 O ATOM 653 CB LYS A 39 -8.351 -1.717 -10.335 1.00 44.45 C ATOM 654 CG LYS A 39 -7.957 -0.359 -10.946 1.00 24.42 C ATOM 655 CD LYS A 39 -8.376 -0.241 -12.432 1.00 40.23 C ATOM 656 CE LYS A 39 -9.898 -0.340 -12.648 1.00 62.41 C ATOM 657 NZ LYS A 39 -10.256 -0.327 -14.091 1.00 23.31 N ATOM 0 H LYS A 39 -5.970 -2.040 -9.673 1.00 4.34 H new ATOM 0 HA LYS A 39 -8.225 -1.064 -8.277 1.00 62.53 H new ATOM 0 HB2 LYS A 39 -7.922 -2.512 -10.945 1.00 44.45 H new ATOM 0 HB3 LYS A 39 -9.435 -1.823 -10.388 1.00 44.45 H new ATOM 0 HG2 LYS A 39 -8.423 0.443 -10.374 1.00 24.42 H new ATOM 0 HG3 LYS A 39 -6.879 -0.225 -10.863 1.00 24.42 H new ATOM 0 HD2 LYS A 39 -8.022 0.711 -12.827 1.00 40.23 H new ATOM 0 HD3 LYS A 39 -7.883 -1.027 -13.004 1.00 40.23 H new ATOM 0 HE2 LYS A 39 -10.271 -1.256 -12.190 1.00 62.41 H new ATOM 0 HE3 LYS A 39 -10.391 0.492 -12.144 1.00 62.41 H new ATOM 0 HZ1 LYS A 39 -11.289 -0.395 -14.193 1.00 23.31 H new ATOM 0 HZ2 LYS A 39 -9.923 0.558 -14.523 1.00 23.31 H new ATOM 0 HZ3 LYS A 39 -9.807 -1.135 -14.567 1.00 23.31 H new ATOM 671 N LYS A 40 -7.935 -4.352 -8.593 1.00 22.12 N ATOM 672 CA LYS A 40 -8.436 -5.697 -8.201 1.00 65.33 C ATOM 673 C LYS A 40 -8.523 -5.839 -6.671 1.00 5.23 C ATOM 674 O LYS A 40 -9.474 -6.440 -6.142 1.00 12.52 O ATOM 675 CB LYS A 40 -7.500 -6.758 -8.844 1.00 35.31 C ATOM 676 CG LYS A 40 -7.710 -8.244 -8.481 1.00 71.42 C ATOM 677 CD LYS A 40 -7.031 -9.190 -9.525 1.00 65.11 C ATOM 678 CE LYS A 40 -6.661 -10.578 -8.971 1.00 72.40 C ATOM 679 NZ LYS A 40 -5.429 -10.527 -8.137 1.00 43.41 N ATOM 0 H LYS A 40 -7.055 -4.390 -9.108 1.00 22.12 H new ATOM 0 HA LYS A 40 -9.452 -5.846 -8.566 1.00 65.33 H new ATOM 0 HB2 LYS A 40 -7.589 -6.666 -9.926 1.00 35.31 H new ATOM 0 HB3 LYS A 40 -6.474 -6.495 -8.585 1.00 35.31 H new ATOM 0 HG2 LYS A 40 -7.299 -8.439 -7.490 1.00 71.42 H new ATOM 0 HG3 LYS A 40 -8.777 -8.460 -8.432 1.00 71.42 H new ATOM 0 HD2 LYS A 40 -7.702 -9.317 -10.374 1.00 65.11 H new ATOM 0 HD3 LYS A 40 -6.128 -8.709 -9.902 1.00 65.11 H new ATOM 0 HE2 LYS A 40 -7.488 -10.964 -8.375 1.00 72.40 H new ATOM 0 HE3 LYS A 40 -6.512 -11.272 -9.798 1.00 72.40 H new ATOM 0 HZ1 LYS A 40 -5.144 -11.493 -7.880 1.00 43.41 H new ATOM 0 HZ2 LYS A 40 -4.664 -10.072 -8.675 1.00 43.41 H new ATOM 0 HZ3 LYS A 40 -5.617 -9.980 -7.273 1.00 43.41 H new ATOM 693 N TYR A 41 -7.534 -5.258 -5.973 1.00 54.03 N ATOM 694 CA TYR A 41 -7.519 -5.195 -4.505 1.00 74.41 C ATOM 695 C TYR A 41 -8.513 -4.141 -3.988 1.00 74.53 C ATOM 696 O TYR A 41 -9.185 -4.378 -2.981 1.00 74.33 O ATOM 697 CB TYR A 41 -6.078 -4.952 -3.973 1.00 25.53 C ATOM 698 CG TYR A 41 -5.218 -6.227 -3.952 1.00 74.23 C ATOM 699 CD1 TYR A 41 -5.574 -7.292 -3.121 1.00 53.14 C ATOM 700 CD2 TYR A 41 -4.072 -6.377 -4.746 1.00 31.01 C ATOM 701 CE1 TYR A 41 -4.831 -8.450 -3.082 1.00 31.43 C ATOM 702 CE2 TYR A 41 -3.324 -7.539 -4.709 1.00 54.43 C ATOM 703 CZ TYR A 41 -3.707 -8.573 -3.874 1.00 21.11 C ATOM 704 OH TYR A 41 -2.964 -9.729 -3.823 1.00 1.41 O ATOM 0 H TYR A 41 -6.724 -4.820 -6.411 1.00 54.03 H new ATOM 0 HA TYR A 41 -7.845 -6.160 -4.117 1.00 74.41 H new ATOM 0 HB2 TYR A 41 -5.589 -4.202 -4.595 1.00 25.53 H new ATOM 0 HB3 TYR A 41 -6.134 -4.542 -2.964 1.00 25.53 H new ATOM 0 HD1 TYR A 41 -6.451 -7.205 -2.496 1.00 53.14 H new ATOM 0 HD2 TYR A 41 -3.769 -5.571 -5.398 1.00 31.01 H new ATOM 0 HE1 TYR A 41 -5.127 -9.261 -2.433 1.00 31.43 H new ATOM 0 HE2 TYR A 41 -2.445 -7.639 -5.329 1.00 54.43 H new ATOM 0 HH TYR A 41 -2.206 -9.658 -4.440 1.00 1.41 H new ATOM 714 N LEU A 42 -8.622 -2.990 -4.682 1.00 42.10 N ATOM 715 CA LEU A 42 -9.610 -1.942 -4.325 1.00 42.44 C ATOM 716 C LEU A 42 -11.053 -2.487 -4.419 1.00 23.51 C ATOM 717 O LEU A 42 -11.878 -2.178 -3.562 1.00 71.41 O ATOM 718 CB LEU A 42 -9.433 -0.673 -5.202 1.00 43.32 C ATOM 719 CG LEU A 42 -8.103 0.124 -4.998 1.00 1.52 C ATOM 720 CD1 LEU A 42 -8.022 1.333 -5.945 1.00 32.21 C ATOM 721 CD2 LEU A 42 -7.905 0.555 -3.524 1.00 1.12 C ATOM 0 H LEU A 42 -8.043 -2.760 -5.489 1.00 42.10 H new ATOM 0 HA LEU A 42 -9.426 -1.653 -3.290 1.00 42.44 H new ATOM 0 HB2 LEU A 42 -9.499 -0.968 -6.249 1.00 43.32 H new ATOM 0 HB3 LEU A 42 -10.269 -0.001 -5.006 1.00 43.32 H new ATOM 0 HG LEU A 42 -7.286 -0.553 -5.249 1.00 1.52 H new ATOM 0 HD11 LEU A 42 -7.085 1.865 -5.777 1.00 32.21 H new ATOM 0 HD12 LEU A 42 -8.064 0.989 -6.978 1.00 32.21 H new ATOM 0 HD13 LEU A 42 -8.860 2.003 -5.752 1.00 32.21 H new ATOM 0 HD21 LEU A 42 -6.969 1.105 -3.428 1.00 1.12 H new ATOM 0 HD22 LEU A 42 -8.734 1.193 -3.217 1.00 1.12 H new ATOM 0 HD23 LEU A 42 -7.872 -0.329 -2.888 1.00 1.12 H new ATOM 733 N GLU A 43 -11.316 -3.328 -5.453 1.00 42.13 N ATOM 734 CA GLU A 43 -12.600 -4.040 -5.652 1.00 44.41 C ATOM 735 C GLU A 43 -12.933 -4.869 -4.403 1.00 41.43 C ATOM 736 O GLU A 43 -14.062 -4.841 -3.901 1.00 1.52 O ATOM 737 CB GLU A 43 -12.530 -4.996 -6.888 1.00 40.41 C ATOM 738 CG GLU A 43 -12.347 -4.315 -8.268 1.00 44.21 C ATOM 739 CD GLU A 43 -13.619 -3.633 -8.794 1.00 20.11 C ATOM 740 OE1 GLU A 43 -14.475 -4.339 -9.373 1.00 52.34 O ATOM 741 OE2 GLU A 43 -13.775 -2.401 -8.634 1.00 34.35 O ATOM 0 H GLU A 43 -10.631 -3.531 -6.180 1.00 42.13 H new ATOM 0 HA GLU A 43 -13.374 -3.293 -5.827 1.00 44.41 H new ATOM 0 HB2 GLU A 43 -11.705 -5.692 -6.737 1.00 40.41 H new ATOM 0 HB3 GLU A 43 -13.445 -5.588 -6.916 1.00 40.41 H new ATOM 0 HG2 GLU A 43 -11.552 -3.573 -8.195 1.00 44.21 H new ATOM 0 HG3 GLU A 43 -12.020 -5.062 -8.991 1.00 44.21 H new ATOM 748 N GLU A 44 -11.902 -5.572 -3.906 1.00 2.31 N ATOM 749 CA GLU A 44 -12.000 -6.485 -2.760 1.00 13.33 C ATOM 750 C GLU A 44 -12.418 -5.723 -1.486 1.00 12.04 C ATOM 751 O GLU A 44 -13.269 -6.179 -0.729 1.00 3.51 O ATOM 752 CB GLU A 44 -10.627 -7.186 -2.549 1.00 33.32 C ATOM 753 CG GLU A 44 -10.654 -8.433 -1.645 1.00 30.54 C ATOM 754 CD GLU A 44 -11.451 -9.592 -2.274 1.00 43.11 C ATOM 755 OE1 GLU A 44 -11.031 -10.098 -3.339 1.00 2.34 O ATOM 756 OE2 GLU A 44 -12.500 -9.995 -1.736 1.00 34.33 O ATOM 0 H GLU A 44 -10.962 -5.519 -4.298 1.00 2.31 H new ATOM 0 HA GLU A 44 -12.764 -7.235 -2.964 1.00 13.33 H new ATOM 0 HB2 GLU A 44 -10.231 -7.473 -3.523 1.00 33.32 H new ATOM 0 HB3 GLU A 44 -9.931 -6.464 -2.122 1.00 33.32 H new ATOM 0 HG2 GLU A 44 -9.633 -8.760 -1.450 1.00 30.54 H new ATOM 0 HG3 GLU A 44 -11.094 -8.172 -0.682 1.00 30.54 H new ATOM 763 N PHE A 45 -11.802 -4.542 -1.280 1.00 11.21 N ATOM 764 CA PHE A 45 -11.985 -3.727 -0.051 1.00 5.41 C ATOM 765 C PHE A 45 -13.334 -2.966 -0.014 1.00 11.45 C ATOM 766 O PHE A 45 -13.711 -2.437 1.041 1.00 44.34 O ATOM 767 CB PHE A 45 -10.788 -2.740 0.103 1.00 3.44 C ATOM 768 CG PHE A 45 -9.397 -3.399 0.057 1.00 75.41 C ATOM 769 CD1 PHE A 45 -9.206 -4.741 0.428 1.00 54.44 C ATOM 770 CD2 PHE A 45 -8.282 -2.683 -0.386 1.00 13.24 C ATOM 771 CE1 PHE A 45 -7.960 -5.331 0.354 1.00 10.44 C ATOM 772 CE2 PHE A 45 -7.039 -3.278 -0.455 1.00 73.15 C ATOM 773 CZ PHE A 45 -6.876 -4.600 -0.086 1.00 34.44 C ATOM 0 H PHE A 45 -11.164 -4.122 -1.956 1.00 11.21 H new ATOM 0 HA PHE A 45 -12.009 -4.417 0.793 1.00 5.41 H new ATOM 0 HB2 PHE A 45 -10.847 -1.993 -0.689 1.00 3.44 H new ATOM 0 HB3 PHE A 45 -10.892 -2.210 1.050 1.00 3.44 H new ATOM 0 HD1 PHE A 45 -10.048 -5.320 0.777 1.00 54.44 H new ATOM 0 HD2 PHE A 45 -8.395 -1.649 -0.678 1.00 13.24 H new ATOM 0 HE1 PHE A 45 -7.834 -6.365 0.641 1.00 10.44 H new ATOM 0 HE2 PHE A 45 -6.189 -2.708 -0.799 1.00 73.15 H new ATOM 0 HZ PHE A 45 -5.901 -5.060 -0.142 1.00 34.44 H new ATOM 783 N ARG A 46 -14.057 -2.916 -1.157 1.00 72.51 N ATOM 784 CA ARG A 46 -15.360 -2.211 -1.257 1.00 64.22 C ATOM 785 C ARG A 46 -16.444 -2.900 -0.399 1.00 62.22 C ATOM 786 O ARG A 46 -17.253 -2.226 0.258 1.00 34.30 O ATOM 787 CB ARG A 46 -15.852 -2.145 -2.727 1.00 13.43 C ATOM 788 CG ARG A 46 -14.914 -1.401 -3.696 1.00 42.13 C ATOM 789 CD ARG A 46 -15.444 -1.401 -5.141 1.00 24.13 C ATOM 790 NE ARG A 46 -15.765 -2.765 -5.612 1.00 55.12 N ATOM 791 CZ ARG A 46 -16.398 -3.064 -6.762 1.00 0.32 C ATOM 792 NH1 ARG A 46 -16.806 -2.111 -7.586 1.00 31.04 N ATOM 793 NH2 ARG A 46 -16.606 -4.329 -7.091 1.00 64.24 N ATOM 0 H ARG A 46 -13.760 -3.357 -2.027 1.00 72.51 H new ATOM 0 HA ARG A 46 -15.197 -1.200 -0.883 1.00 64.22 H new ATOM 0 HB2 ARG A 46 -15.994 -3.162 -3.092 1.00 13.43 H new ATOM 0 HB3 ARG A 46 -16.828 -1.660 -2.746 1.00 13.43 H new ATOM 0 HG2 ARG A 46 -14.788 -0.372 -3.358 1.00 42.13 H new ATOM 0 HG3 ARG A 46 -13.929 -1.867 -3.673 1.00 42.13 H new ATOM 0 HD2 ARG A 46 -16.336 -0.778 -5.200 1.00 24.13 H new ATOM 0 HD3 ARG A 46 -14.699 -0.955 -5.801 1.00 24.13 H new ATOM 0 HE ARG A 46 -15.484 -3.544 -5.017 1.00 55.12 H new ATOM 0 HH11 ARG A 46 -16.642 -1.131 -7.354 1.00 31.04 H new ATOM 0 HH12 ARG A 46 -17.284 -2.357 -8.453 1.00 31.04 H new ATOM 0 HH21 ARG A 46 -16.287 -5.076 -6.474 1.00 64.24 H new ATOM 0 HH22 ARG A 46 -17.085 -4.557 -7.962 1.00 64.24 H new ATOM 807 N LYS A 47 -16.430 -4.251 -0.399 1.00 0.04 N ATOM 808 CA LYS A 47 -17.456 -5.081 0.279 1.00 3.15 C ATOM 809 C LYS A 47 -17.454 -4.854 1.810 1.00 12.23 C ATOM 810 O LYS A 47 -18.452 -5.110 2.491 1.00 73.41 O ATOM 811 CB LYS A 47 -17.201 -6.585 -0.036 1.00 10.10 C ATOM 812 CG LYS A 47 -15.927 -7.165 0.615 1.00 51.41 C ATOM 813 CD LYS A 47 -15.627 -8.626 0.207 1.00 11.32 C ATOM 814 CE LYS A 47 -14.358 -9.156 0.888 1.00 54.12 C ATOM 815 NZ LYS A 47 -14.078 -10.574 0.563 1.00 72.35 N ATOM 0 H LYS A 47 -15.709 -4.799 -0.868 1.00 0.04 H new ATOM 0 HA LYS A 47 -18.435 -4.785 -0.098 1.00 3.15 H new ATOM 0 HB2 LYS A 47 -18.061 -7.165 0.298 1.00 10.10 H new ATOM 0 HB3 LYS A 47 -17.132 -6.711 -1.117 1.00 10.10 H new ATOM 0 HG2 LYS A 47 -15.076 -6.540 0.345 1.00 51.41 H new ATOM 0 HG3 LYS A 47 -16.029 -7.114 1.699 1.00 51.41 H new ATOM 0 HD2 LYS A 47 -16.474 -9.259 0.472 1.00 11.32 H new ATOM 0 HD3 LYS A 47 -15.511 -8.685 -0.875 1.00 11.32 H new ATOM 0 HE2 LYS A 47 -13.508 -8.545 0.586 1.00 54.12 H new ATOM 0 HE3 LYS A 47 -14.460 -9.049 1.968 1.00 54.12 H new ATOM 0 HZ1 LYS A 47 -13.584 -11.022 1.361 1.00 72.35 H new ATOM 0 HZ2 LYS A 47 -14.973 -11.073 0.385 1.00 72.35 H new ATOM 0 HZ3 LYS A 47 -13.480 -10.624 -0.286 1.00 72.35 H new ATOM 829 N GLU A 48 -16.312 -4.375 2.327 1.00 61.11 N ATOM 830 CA GLU A 48 -16.080 -4.160 3.762 1.00 1.21 C ATOM 831 C GLU A 48 -15.542 -2.738 4.002 1.00 5.53 C ATOM 832 O GLU A 48 -14.739 -2.500 4.918 1.00 74.11 O ATOM 833 CB GLU A 48 -15.108 -5.245 4.280 1.00 41.51 C ATOM 834 CG GLU A 48 -13.769 -5.327 3.519 1.00 22.24 C ATOM 835 CD GLU A 48 -12.860 -6.429 4.067 1.00 74.32 C ATOM 836 OE1 GLU A 48 -12.287 -6.242 5.153 1.00 71.03 O ATOM 837 OE2 GLU A 48 -12.758 -7.504 3.441 1.00 20.01 O ATOM 0 H GLU A 48 -15.511 -4.122 1.749 1.00 61.11 H new ATOM 0 HA GLU A 48 -17.015 -4.246 4.315 1.00 1.21 H new ATOM 0 HB2 GLU A 48 -14.901 -5.055 5.333 1.00 41.51 H new ATOM 0 HB3 GLU A 48 -15.603 -6.214 4.222 1.00 41.51 H new ATOM 0 HG2 GLU A 48 -13.964 -5.511 2.463 1.00 22.24 H new ATOM 0 HG3 GLU A 48 -13.256 -4.368 3.586 1.00 22.24 H new ATOM 844 N SER A 49 -16.015 -1.780 3.170 1.00 41.30 N ATOM 845 CA SER A 49 -15.702 -0.350 3.342 1.00 1.41 C ATOM 846 C SER A 49 -16.463 0.231 4.560 1.00 0.33 C ATOM 847 O SER A 49 -17.507 0.892 4.434 1.00 34.40 O ATOM 848 CB SER A 49 -15.997 0.427 2.043 1.00 74.31 C ATOM 849 OG SER A 49 -17.327 0.223 1.611 1.00 62.42 O ATOM 0 H SER A 49 -16.617 -1.978 2.371 1.00 41.30 H new ATOM 0 HA SER A 49 -14.637 -0.241 3.548 1.00 1.41 H new ATOM 0 HB2 SER A 49 -15.825 1.491 2.207 1.00 74.31 H new ATOM 0 HB3 SER A 49 -15.306 0.109 1.262 1.00 74.31 H new ATOM 0 HG SER A 49 -17.382 -0.616 1.108 1.00 62.42 H new ATOM 855 N GLN A 50 -15.925 -0.077 5.749 1.00 61.25 N ATOM 856 CA GLN A 50 -16.490 0.310 7.040 1.00 43.20 C ATOM 857 C GLN A 50 -15.327 0.571 8.011 1.00 32.52 C ATOM 858 O GLN A 50 -14.737 -0.369 8.568 1.00 4.01 O ATOM 859 CB GLN A 50 -17.475 -0.785 7.560 1.00 64.32 C ATOM 860 CG GLN A 50 -16.907 -2.226 7.600 1.00 24.23 C ATOM 861 CD GLN A 50 -17.905 -3.259 8.113 1.00 20.44 C ATOM 862 OE1 GLN A 50 -18.631 -3.876 7.339 1.00 75.11 O ATOM 863 NE2 GLN A 50 -17.967 -3.439 9.423 1.00 64.11 N ATOM 0 H GLN A 50 -15.063 -0.616 5.836 1.00 61.25 H new ATOM 0 HA GLN A 50 -17.078 1.223 6.947 1.00 43.20 H new ATOM 0 HB2 GLN A 50 -17.797 -0.512 8.565 1.00 64.32 H new ATOM 0 HB3 GLN A 50 -18.363 -0.780 6.928 1.00 64.32 H new ATOM 0 HG2 GLN A 50 -16.586 -2.509 6.598 1.00 24.23 H new ATOM 0 HG3 GLN A 50 -16.021 -2.241 8.235 1.00 24.23 H new ATOM 0 HE21 GLN A 50 -17.350 -2.911 10.040 1.00 64.11 H new ATOM 0 HE22 GLN A 50 -18.632 -4.106 9.815 1.00 64.11 H new ATOM 872 N ASN A 51 -14.961 1.867 8.154 1.00 41.55 N ATOM 873 CA ASN A 51 -13.798 2.307 8.968 1.00 40.42 C ATOM 874 C ASN A 51 -12.507 1.647 8.449 1.00 13.54 C ATOM 875 O ASN A 51 -11.686 1.150 9.220 1.00 23.11 O ATOM 876 CB ASN A 51 -14.026 2.012 10.488 1.00 75.05 C ATOM 877 CG ASN A 51 -15.212 2.778 11.087 1.00 12.14 C ATOM 878 OD1 ASN A 51 -15.527 3.886 10.660 1.00 1.41 O ATOM 879 ND2 ASN A 51 -15.889 2.190 12.065 1.00 74.42 N ATOM 0 H ASN A 51 -15.461 2.637 7.710 1.00 41.55 H new ATOM 0 HA ASN A 51 -13.692 3.387 8.866 1.00 40.42 H new ATOM 0 HB2 ASN A 51 -14.189 0.943 10.622 1.00 75.05 H new ATOM 0 HB3 ASN A 51 -13.122 2.269 11.040 1.00 75.05 H new ATOM 0 HD21 ASN A 51 -16.693 2.659 12.482 1.00 74.42 H new ATOM 0 HD22 ASN A 51 -15.605 1.269 12.400 1.00 74.42 H new ATOM 886 N ILE A 52 -12.354 1.642 7.114 1.00 5.11 N ATOM 887 CA ILE A 52 -11.224 0.991 6.429 1.00 40.33 C ATOM 888 C ILE A 52 -10.284 2.072 5.877 1.00 33.10 C ATOM 889 O ILE A 52 -10.735 3.139 5.424 1.00 31.00 O ATOM 890 CB ILE A 52 -11.709 0.024 5.271 1.00 45.55 C ATOM 891 CG1 ILE A 52 -10.535 -0.865 4.738 1.00 60.13 C ATOM 892 CG2 ILE A 52 -12.372 0.808 4.111 1.00 64.13 C ATOM 893 CD1 ILE A 52 -10.954 -1.935 3.738 1.00 63.41 C ATOM 0 H ILE A 52 -13.013 2.091 6.477 1.00 5.11 H new ATOM 0 HA ILE A 52 -10.692 0.372 7.151 1.00 40.33 H new ATOM 0 HB ILE A 52 -12.463 -0.635 5.701 1.00 45.55 H new ATOM 0 HG12 ILE A 52 -9.792 -0.220 4.270 1.00 60.13 H new ATOM 0 HG13 ILE A 52 -10.049 -1.349 5.585 1.00 60.13 H new ATOM 0 HG21 ILE A 52 -12.691 0.111 3.336 1.00 64.13 H new ATOM 0 HG22 ILE A 52 -13.238 1.353 4.488 1.00 64.13 H new ATOM 0 HG23 ILE A 52 -11.654 1.513 3.691 1.00 64.13 H new ATOM 0 HD11 ILE A 52 -10.078 -2.502 3.423 1.00 63.41 H new ATOM 0 HD12 ILE A 52 -11.673 -2.608 4.205 1.00 63.41 H new ATOM 0 HD13 ILE A 52 -11.411 -1.462 2.869 1.00 63.41 H new ATOM 905 N LYS A 53 -8.975 1.810 5.958 1.00 35.32 N ATOM 906 CA LYS A 53 -7.921 2.700 5.460 1.00 34.22 C ATOM 907 C LYS A 53 -6.860 1.845 4.771 1.00 43.05 C ATOM 908 O LYS A 53 -6.459 0.805 5.304 1.00 33.04 O ATOM 909 CB LYS A 53 -7.291 3.513 6.627 1.00 2.01 C ATOM 910 CG LYS A 53 -8.280 4.440 7.358 1.00 33.20 C ATOM 911 CD LYS A 53 -7.644 5.193 8.543 1.00 0.24 C ATOM 912 CE LYS A 53 -8.657 6.079 9.274 1.00 51.12 C ATOM 913 NZ LYS A 53 -8.073 6.719 10.476 1.00 61.23 N ATOM 0 H LYS A 53 -8.611 0.956 6.380 1.00 35.32 H new ATOM 0 HA LYS A 53 -8.343 3.414 4.753 1.00 34.22 H new ATOM 0 HB2 LYS A 53 -6.861 2.818 7.348 1.00 2.01 H new ATOM 0 HB3 LYS A 53 -6.470 4.113 6.235 1.00 2.01 H new ATOM 0 HG2 LYS A 53 -8.681 5.164 6.649 1.00 33.20 H new ATOM 0 HG3 LYS A 53 -9.121 3.849 7.721 1.00 33.20 H new ATOM 0 HD2 LYS A 53 -7.221 4.473 9.244 1.00 0.24 H new ATOM 0 HD3 LYS A 53 -6.820 5.808 8.181 1.00 0.24 H new ATOM 0 HE2 LYS A 53 -9.021 6.850 8.594 1.00 51.12 H new ATOM 0 HE3 LYS A 53 -9.519 5.479 9.566 1.00 51.12 H new ATOM 0 HZ1 LYS A 53 -8.793 7.309 10.940 1.00 61.23 H new ATOM 0 HZ2 LYS A 53 -7.749 5.985 11.137 1.00 61.23 H new ATOM 0 HZ3 LYS A 53 -7.267 7.313 10.196 1.00 61.23 H new ATOM 927 N VAL A 54 -6.425 2.269 3.578 1.00 62.41 N ATOM 928 CA VAL A 54 -5.369 1.585 2.812 1.00 31.43 C ATOM 929 C VAL A 54 -4.128 2.493 2.719 1.00 55.44 C ATOM 930 O VAL A 54 -4.254 3.714 2.635 1.00 72.45 O ATOM 931 CB VAL A 54 -5.869 1.185 1.374 1.00 63.22 C ATOM 932 CG1 VAL A 54 -4.789 0.414 0.582 1.00 22.50 C ATOM 933 CG2 VAL A 54 -7.187 0.371 1.446 1.00 10.21 C ATOM 0 H VAL A 54 -6.795 3.098 3.113 1.00 62.41 H new ATOM 0 HA VAL A 54 -5.106 0.665 3.334 1.00 31.43 H new ATOM 0 HB VAL A 54 -6.070 2.111 0.836 1.00 63.22 H new ATOM 0 HG11 VAL A 54 -5.175 0.157 -0.404 1.00 22.50 H new ATOM 0 HG12 VAL A 54 -3.902 1.039 0.473 1.00 22.50 H new ATOM 0 HG13 VAL A 54 -4.527 -0.498 1.118 1.00 22.50 H new ATOM 0 HG21 VAL A 54 -7.508 0.109 0.438 1.00 10.21 H new ATOM 0 HG22 VAL A 54 -7.021 -0.539 2.022 1.00 10.21 H new ATOM 0 HG23 VAL A 54 -7.959 0.971 1.928 1.00 10.21 H new ATOM 943 N LEU A 55 -2.937 1.886 2.792 1.00 45.14 N ATOM 944 CA LEU A 55 -1.645 2.567 2.615 1.00 35.13 C ATOM 945 C LEU A 55 -0.902 1.940 1.427 1.00 41.32 C ATOM 946 O LEU A 55 -0.473 0.796 1.515 1.00 75.10 O ATOM 947 CB LEU A 55 -0.795 2.429 3.903 1.00 24.24 C ATOM 948 CG LEU A 55 0.622 3.094 3.865 1.00 23.14 C ATOM 949 CD1 LEU A 55 0.531 4.631 3.812 1.00 53.01 C ATOM 950 CD2 LEU A 55 1.491 2.615 5.040 1.00 12.23 C ATOM 0 H LEU A 55 -2.841 0.888 2.979 1.00 45.14 H new ATOM 0 HA LEU A 55 -1.815 3.626 2.419 1.00 35.13 H new ATOM 0 HB2 LEU A 55 -1.355 2.861 4.732 1.00 24.24 H new ATOM 0 HB3 LEU A 55 -0.671 1.368 4.121 1.00 24.24 H new ATOM 0 HG LEU A 55 1.110 2.775 2.944 1.00 23.14 H new ATOM 0 HD11 LEU A 55 1.535 5.054 3.787 1.00 53.01 H new ATOM 0 HD12 LEU A 55 -0.013 4.933 2.917 1.00 53.01 H new ATOM 0 HD13 LEU A 55 0.006 4.995 4.695 1.00 53.01 H new ATOM 0 HD21 LEU A 55 2.469 3.093 4.988 1.00 12.23 H new ATOM 0 HD22 LEU A 55 1.008 2.879 5.981 1.00 12.23 H new ATOM 0 HD23 LEU A 55 1.613 1.533 4.985 1.00 12.23 H new ATOM 962 N ILE A 56 -0.748 2.688 0.326 1.00 60.12 N ATOM 963 CA ILE A 56 -0.081 2.196 -0.892 1.00 65.33 C ATOM 964 C ILE A 56 1.359 2.746 -0.956 1.00 55.31 C ATOM 965 O ILE A 56 1.551 3.953 -1.091 1.00 50.44 O ATOM 966 CB ILE A 56 -0.879 2.594 -2.191 1.00 23.14 C ATOM 967 CG1 ILE A 56 -2.346 2.060 -2.124 1.00 13.23 C ATOM 968 CG2 ILE A 56 -0.161 2.071 -3.460 1.00 20.42 C ATOM 969 CD1 ILE A 56 -3.235 2.466 -3.295 1.00 45.32 C ATOM 0 H ILE A 56 -1.081 3.649 0.252 1.00 60.12 H new ATOM 0 HA ILE A 56 -0.051 1.107 -0.847 1.00 65.33 H new ATOM 0 HB ILE A 56 -0.915 3.682 -2.247 1.00 23.14 H new ATOM 0 HG12 ILE A 56 -2.318 0.972 -2.069 1.00 13.23 H new ATOM 0 HG13 ILE A 56 -2.804 2.414 -1.200 1.00 13.23 H new ATOM 0 HG21 ILE A 56 -0.730 2.358 -4.344 1.00 20.42 H new ATOM 0 HG22 ILE A 56 0.839 2.502 -3.516 1.00 20.42 H new ATOM 0 HG23 ILE A 56 -0.085 0.985 -3.414 1.00 20.42 H new ATOM 0 HD11 ILE A 56 -4.232 2.047 -3.157 1.00 45.32 H new ATOM 0 HD12 ILE A 56 -3.301 3.553 -3.342 1.00 45.32 H new ATOM 0 HD13 ILE A 56 -2.808 2.088 -4.224 1.00 45.32 H new ATOM 981 N LEU A 57 2.361 1.848 -0.841 1.00 21.24 N ATOM 982 CA LEU A 57 3.788 2.201 -0.952 1.00 44.10 C ATOM 983 C LEU A 57 4.237 1.897 -2.375 1.00 53.54 C ATOM 984 O LEU A 57 4.267 0.737 -2.781 1.00 21.10 O ATOM 985 CB LEU A 57 4.686 1.417 0.061 1.00 11.11 C ATOM 986 CG LEU A 57 4.464 1.698 1.583 1.00 4.11 C ATOM 987 CD1 LEU A 57 4.447 3.205 1.885 1.00 41.52 C ATOM 988 CD2 LEU A 57 3.206 1.000 2.113 1.00 31.44 C ATOM 0 H LEU A 57 2.200 0.856 -0.668 1.00 21.24 H new ATOM 0 HA LEU A 57 3.899 3.259 -0.714 1.00 44.10 H new ATOM 0 HB2 LEU A 57 4.536 0.351 -0.110 1.00 11.11 H new ATOM 0 HB3 LEU A 57 5.728 1.634 -0.174 1.00 11.11 H new ATOM 0 HG LEU A 57 5.315 1.272 2.115 1.00 4.11 H new ATOM 0 HD11 LEU A 57 4.290 3.360 2.952 1.00 41.52 H new ATOM 0 HD12 LEU A 57 5.399 3.646 1.590 1.00 41.52 H new ATOM 0 HD13 LEU A 57 3.639 3.679 1.327 1.00 41.52 H new ATOM 0 HD21 LEU A 57 3.087 1.220 3.174 1.00 31.44 H new ATOM 0 HD22 LEU A 57 2.333 1.360 1.568 1.00 31.44 H new ATOM 0 HD23 LEU A 57 3.302 -0.077 1.974 1.00 31.44 H new ATOM 1000 N VAL A 58 4.577 2.933 -3.126 1.00 22.44 N ATOM 1001 CA VAL A 58 5.000 2.808 -4.525 1.00 13.13 C ATOM 1002 C VAL A 58 6.509 3.041 -4.639 1.00 42.34 C ATOM 1003 O VAL A 58 7.145 3.487 -3.684 1.00 2.54 O ATOM 1004 CB VAL A 58 4.215 3.823 -5.418 1.00 62.31 C ATOM 1005 CG1 VAL A 58 2.687 3.613 -5.296 1.00 12.55 C ATOM 1006 CG2 VAL A 58 4.595 5.273 -5.075 1.00 60.13 C ATOM 0 H VAL A 58 4.569 3.894 -2.785 1.00 22.44 H new ATOM 0 HA VAL A 58 4.778 1.800 -4.875 1.00 13.13 H new ATOM 0 HB VAL A 58 4.498 3.636 -6.454 1.00 62.31 H new ATOM 0 HG11 VAL A 58 2.169 4.334 -5.929 1.00 12.55 H new ATOM 0 HG12 VAL A 58 2.432 2.602 -5.614 1.00 12.55 H new ATOM 0 HG13 VAL A 58 2.382 3.755 -4.259 1.00 12.55 H new ATOM 0 HG21 VAL A 58 4.034 5.957 -5.712 1.00 60.13 H new ATOM 0 HG22 VAL A 58 4.359 5.474 -4.030 1.00 60.13 H new ATOM 0 HG23 VAL A 58 5.663 5.418 -5.240 1.00 60.13 H new ATOM 1016 N SER A 59 7.074 2.745 -5.812 1.00 14.22 N ATOM 1017 CA SER A 59 8.510 2.920 -6.070 1.00 21.34 C ATOM 1018 C SER A 59 8.785 4.293 -6.700 1.00 44.34 C ATOM 1019 O SER A 59 9.656 5.048 -6.242 1.00 51.40 O ATOM 1020 CB SER A 59 9.000 1.780 -6.985 1.00 44.24 C ATOM 1021 OG SER A 59 8.724 0.519 -6.400 1.00 65.10 O ATOM 0 H SER A 59 6.553 2.378 -6.609 1.00 14.22 H new ATOM 0 HA SER A 59 9.056 2.879 -5.128 1.00 21.34 H new ATOM 0 HB2 SER A 59 8.512 1.851 -7.957 1.00 44.24 H new ATOM 0 HB3 SER A 59 10.071 1.880 -7.158 1.00 44.24 H new ATOM 0 HG SER A 59 7.759 0.430 -6.254 1.00 65.10 H new ATOM 1027 N ASN A 60 8.013 4.610 -7.748 1.00 32.42 N ATOM 1028 CA ASN A 60 8.209 5.818 -8.575 1.00 23.45 C ATOM 1029 C ASN A 60 7.024 6.775 -8.417 1.00 23.54 C ATOM 1030 O ASN A 60 5.947 6.381 -7.949 1.00 31.34 O ATOM 1031 CB ASN A 60 8.356 5.434 -10.072 1.00 12.10 C ATOM 1032 CG ASN A 60 9.422 4.367 -10.353 1.00 14.34 C ATOM 1033 OD1 ASN A 60 10.458 4.296 -9.688 1.00 54.14 O ATOM 1034 ND2 ASN A 60 9.165 3.522 -11.339 1.00 35.21 N ATOM 0 H ASN A 60 7.228 4.034 -8.052 1.00 32.42 H new ATOM 0 HA ASN A 60 9.120 6.312 -8.237 1.00 23.45 H new ATOM 0 HB2 ASN A 60 7.394 5.074 -10.438 1.00 12.10 H new ATOM 0 HB3 ASN A 60 8.599 6.331 -10.642 1.00 12.10 H new ATOM 0 HD21 ASN A 60 9.833 2.786 -11.567 1.00 35.21 H new ATOM 0 HD22 ASN A 60 8.299 3.607 -11.871 1.00 35.21 H new ATOM 1041 N ASP A 61 7.241 8.035 -8.847 1.00 2.42 N ATOM 1042 CA ASP A 61 6.193 9.082 -8.904 1.00 43.34 C ATOM 1043 C ASP A 61 5.097 8.716 -9.923 1.00 30.15 C ATOM 1044 O ASP A 61 3.963 9.207 -9.827 1.00 32.52 O ATOM 1045 CB ASP A 61 6.810 10.455 -9.263 1.00 70.14 C ATOM 1046 CG ASP A 61 7.889 10.893 -8.269 1.00 12.53 C ATOM 1047 OD1 ASP A 61 7.547 11.492 -7.224 1.00 43.34 O ATOM 1048 OD2 ASP A 61 9.086 10.605 -8.497 1.00 31.44 O ATOM 0 H ASP A 61 8.153 8.359 -9.167 1.00 2.42 H new ATOM 0 HA ASP A 61 5.737 9.147 -7.916 1.00 43.34 H new ATOM 0 HB2 ASP A 61 7.241 10.405 -10.263 1.00 70.14 H new ATOM 0 HB3 ASP A 61 6.022 11.207 -9.293 1.00 70.14 H new ATOM 1053 N GLU A 62 5.470 7.867 -10.903 1.00 35.35 N ATOM 1054 CA GLU A 62 4.546 7.312 -11.901 1.00 33.21 C ATOM 1055 C GLU A 62 3.417 6.513 -11.218 1.00 14.23 C ATOM 1056 O GLU A 62 2.230 6.805 -11.424 1.00 32.01 O ATOM 1057 CB GLU A 62 5.332 6.405 -12.891 1.00 40.24 C ATOM 1058 CG GLU A 62 4.520 5.903 -14.107 1.00 73.11 C ATOM 1059 CD GLU A 62 4.101 7.047 -15.050 1.00 30.35 C ATOM 1060 OE1 GLU A 62 4.944 7.511 -15.846 1.00 21.31 O ATOM 1061 OE2 GLU A 62 2.936 7.501 -14.995 1.00 53.14 O ATOM 0 H GLU A 62 6.431 7.547 -11.021 1.00 35.35 H new ATOM 0 HA GLU A 62 4.089 8.133 -12.453 1.00 33.21 H new ATOM 0 HB2 GLU A 62 6.198 6.957 -13.255 1.00 40.24 H new ATOM 0 HB3 GLU A 62 5.711 5.541 -12.345 1.00 40.24 H new ATOM 0 HG2 GLU A 62 5.115 5.178 -14.663 1.00 73.11 H new ATOM 0 HG3 GLU A 62 3.630 5.382 -13.755 1.00 73.11 H new ATOM 1068 N GLU A 63 3.806 5.540 -10.364 1.00 61.52 N ATOM 1069 CA GLU A 63 2.845 4.708 -9.606 1.00 23.35 C ATOM 1070 C GLU A 63 2.182 5.528 -8.491 1.00 35.11 C ATOM 1071 O GLU A 63 1.068 5.210 -8.081 1.00 63.21 O ATOM 1072 CB GLU A 63 3.494 3.436 -8.993 1.00 4.24 C ATOM 1073 CG GLU A 63 4.190 2.487 -9.990 1.00 11.43 C ATOM 1074 CD GLU A 63 5.648 2.860 -10.281 1.00 14.54 C ATOM 1075 OE1 GLU A 63 6.517 2.578 -9.425 1.00 14.32 O ATOM 1076 OE2 GLU A 63 5.932 3.426 -11.353 1.00 71.35 O ATOM 0 H GLU A 63 4.783 5.311 -10.182 1.00 61.52 H new ATOM 0 HA GLU A 63 2.095 4.380 -10.325 1.00 23.35 H new ATOM 0 HB2 GLU A 63 4.225 3.748 -8.248 1.00 4.24 H new ATOM 0 HB3 GLU A 63 2.722 2.875 -8.466 1.00 4.24 H new ATOM 0 HG2 GLU A 63 4.156 1.471 -9.595 1.00 11.43 H new ATOM 0 HG3 GLU A 63 3.631 2.484 -10.926 1.00 11.43 H new ATOM 1083 N LEU A 64 2.910 6.533 -7.965 1.00 22.24 N ATOM 1084 CA LEU A 64 2.398 7.446 -6.924 1.00 73.13 C ATOM 1085 C LEU A 64 1.119 8.141 -7.399 1.00 75.41 C ATOM 1086 O LEU A 64 0.064 8.020 -6.764 1.00 53.43 O ATOM 1087 CB LEU A 64 3.490 8.488 -6.557 1.00 15.41 C ATOM 1088 CG LEU A 64 3.168 9.479 -5.393 1.00 1.41 C ATOM 1089 CD1 LEU A 64 2.932 8.733 -4.066 1.00 13.11 C ATOM 1090 CD2 LEU A 64 4.287 10.534 -5.238 1.00 45.22 C ATOM 0 H LEU A 64 3.869 6.734 -8.250 1.00 22.24 H new ATOM 0 HA LEU A 64 2.153 6.867 -6.033 1.00 73.13 H new ATOM 0 HB2 LEU A 64 4.400 7.947 -6.298 1.00 15.41 H new ATOM 0 HB3 LEU A 64 3.711 9.075 -7.449 1.00 15.41 H new ATOM 0 HG LEU A 64 2.244 9.997 -5.651 1.00 1.41 H new ATOM 0 HD11 LEU A 64 2.711 9.453 -3.278 1.00 13.11 H new ATOM 0 HD12 LEU A 64 2.092 8.048 -4.178 1.00 13.11 H new ATOM 0 HD13 LEU A 64 3.827 8.169 -3.801 1.00 13.11 H new ATOM 0 HD21 LEU A 64 4.038 11.211 -4.421 1.00 45.22 H new ATOM 0 HD22 LEU A 64 5.231 10.034 -5.020 1.00 45.22 H new ATOM 0 HD23 LEU A 64 4.383 11.102 -6.164 1.00 45.22 H new ATOM 1102 N ASP A 65 1.219 8.823 -8.553 1.00 62.12 N ATOM 1103 CA ASP A 65 0.098 9.576 -9.127 1.00 22.44 C ATOM 1104 C ASP A 65 -0.989 8.618 -9.629 1.00 43.22 C ATOM 1105 O ASP A 65 -2.183 8.909 -9.509 1.00 0.32 O ATOM 1106 CB ASP A 65 0.587 10.526 -10.254 1.00 72.54 C ATOM 1107 CG ASP A 65 -0.442 11.634 -10.555 1.00 24.31 C ATOM 1108 OD1 ASP A 65 -0.433 12.660 -9.839 1.00 3.14 O ATOM 1109 OD2 ASP A 65 -1.285 11.473 -11.465 1.00 34.40 O ATOM 0 H ASP A 65 2.074 8.866 -9.108 1.00 62.12 H new ATOM 0 HA ASP A 65 -0.339 10.197 -8.345 1.00 22.44 H new ATOM 0 HB2 ASP A 65 1.534 10.979 -9.962 1.00 72.54 H new ATOM 0 HB3 ASP A 65 0.775 9.949 -11.159 1.00 72.54 H new ATOM 1114 N LYS A 66 -0.548 7.459 -10.154 1.00 20.14 N ATOM 1115 CA LYS A 66 -1.437 6.410 -10.679 1.00 45.43 C ATOM 1116 C LYS A 66 -2.373 5.880 -9.577 1.00 43.13 C ATOM 1117 O LYS A 66 -3.594 5.859 -9.745 1.00 11.31 O ATOM 1118 CB LYS A 66 -0.591 5.246 -11.275 1.00 73.03 C ATOM 1119 CG LYS A 66 -1.389 4.205 -12.085 1.00 5.44 C ATOM 1120 CD LYS A 66 -2.109 4.849 -13.296 1.00 43.25 C ATOM 1121 CE LYS A 66 -2.764 3.817 -14.214 1.00 71.01 C ATOM 1122 NZ LYS A 66 -3.550 4.459 -15.298 1.00 62.43 N ATOM 0 H LYS A 66 0.442 7.225 -10.225 1.00 20.14 H new ATOM 0 HA LYS A 66 -2.053 6.843 -11.467 1.00 45.43 H new ATOM 0 HB2 LYS A 66 0.180 5.670 -11.918 1.00 73.03 H new ATOM 0 HB3 LYS A 66 -0.080 4.735 -10.459 1.00 73.03 H new ATOM 0 HG2 LYS A 66 -0.715 3.423 -12.436 1.00 5.44 H new ATOM 0 HG3 LYS A 66 -2.124 3.726 -11.438 1.00 5.44 H new ATOM 0 HD2 LYS A 66 -2.869 5.541 -12.935 1.00 43.25 H new ATOM 0 HD3 LYS A 66 -1.391 5.435 -13.870 1.00 43.25 H new ATOM 0 HE2 LYS A 66 -1.995 3.180 -14.652 1.00 71.01 H new ATOM 0 HE3 LYS A 66 -3.416 3.171 -13.627 1.00 71.01 H new ATOM 0 HZ1 LYS A 66 -4.475 3.991 -15.380 1.00 62.43 H new ATOM 0 HZ2 LYS A 66 -3.689 5.466 -15.076 1.00 62.43 H new ATOM 0 HZ3 LYS A 66 -3.037 4.370 -16.198 1.00 62.43 H new ATOM 1136 N ALA A 67 -1.776 5.501 -8.439 1.00 54.52 N ATOM 1137 CA ALA A 67 -2.486 4.860 -7.322 1.00 73.22 C ATOM 1138 C ALA A 67 -3.354 5.864 -6.554 1.00 44.12 C ATOM 1139 O ALA A 67 -4.374 5.471 -5.977 1.00 42.35 O ATOM 1140 CB ALA A 67 -1.492 4.152 -6.391 1.00 64.21 C ATOM 0 H ALA A 67 -0.779 5.631 -8.266 1.00 54.52 H new ATOM 0 HA ALA A 67 -3.159 4.109 -7.737 1.00 73.22 H new ATOM 0 HB1 ALA A 67 -2.034 3.683 -5.570 1.00 64.21 H new ATOM 0 HB2 ALA A 67 -0.949 3.390 -6.950 1.00 64.21 H new ATOM 0 HB3 ALA A 67 -0.786 4.880 -5.991 1.00 64.21 H new ATOM 1146 N LYS A 68 -2.939 7.159 -6.535 1.00 41.22 N ATOM 1147 CA LYS A 68 -3.781 8.246 -5.993 1.00 41.32 C ATOM 1148 C LYS A 68 -5.082 8.355 -6.806 1.00 65.35 C ATOM 1149 O LYS A 68 -6.165 8.383 -6.232 1.00 11.51 O ATOM 1150 CB LYS A 68 -3.044 9.620 -6.002 1.00 63.23 C ATOM 1151 CG LYS A 68 -1.937 9.783 -4.942 1.00 11.41 C ATOM 1152 CD LYS A 68 -1.314 11.204 -4.941 1.00 34.00 C ATOM 1153 CE LYS A 68 -0.631 11.564 -6.275 1.00 61.41 C ATOM 1154 NZ LYS A 68 -0.146 12.967 -6.328 1.00 32.13 N ATOM 0 H LYS A 68 -2.033 7.468 -6.887 1.00 41.22 H new ATOM 0 HA LYS A 68 -4.007 7.997 -4.956 1.00 41.32 H new ATOM 0 HB2 LYS A 68 -2.605 9.771 -6.988 1.00 63.23 H new ATOM 0 HB3 LYS A 68 -3.781 10.410 -5.857 1.00 63.23 H new ATOM 0 HG2 LYS A 68 -2.350 9.571 -3.956 1.00 11.41 H new ATOM 0 HG3 LYS A 68 -1.154 9.047 -5.124 1.00 11.41 H new ATOM 0 HD2 LYS A 68 -2.093 11.936 -4.729 1.00 34.00 H new ATOM 0 HD3 LYS A 68 -0.584 11.274 -4.135 1.00 34.00 H new ATOM 0 HE2 LYS A 68 0.210 10.890 -6.438 1.00 61.41 H new ATOM 0 HE3 LYS A 68 -1.334 11.399 -7.091 1.00 61.41 H new ATOM 0 HZ1 LYS A 68 0.302 13.145 -7.249 1.00 32.13 H new ATOM 0 HZ2 LYS A 68 -0.948 13.617 -6.202 1.00 32.13 H new ATOM 0 HZ3 LYS A 68 0.548 13.123 -5.569 1.00 32.13 H new ATOM 1168 N GLU A 69 -4.943 8.392 -8.148 1.00 3.11 N ATOM 1169 CA GLU A 69 -6.087 8.528 -9.080 1.00 51.12 C ATOM 1170 C GLU A 69 -7.071 7.372 -8.913 1.00 32.53 C ATOM 1171 O GLU A 69 -8.274 7.599 -8.794 1.00 54.01 O ATOM 1172 CB GLU A 69 -5.597 8.614 -10.551 1.00 42.12 C ATOM 1173 CG GLU A 69 -4.843 9.918 -10.884 1.00 2.21 C ATOM 1174 CD GLU A 69 -5.713 11.180 -10.740 1.00 14.24 C ATOM 1175 OE1 GLU A 69 -6.379 11.569 -11.727 1.00 0.42 O ATOM 1176 OE2 GLU A 69 -5.738 11.790 -9.644 1.00 65.12 O ATOM 0 H GLU A 69 -4.039 8.329 -8.616 1.00 3.11 H new ATOM 0 HA GLU A 69 -6.605 9.455 -8.836 1.00 51.12 H new ATOM 0 HB2 GLU A 69 -4.944 7.766 -10.756 1.00 42.12 H new ATOM 0 HB3 GLU A 69 -6.456 8.523 -11.216 1.00 42.12 H new ATOM 0 HG2 GLU A 69 -3.977 10.006 -10.228 1.00 2.21 H new ATOM 0 HG3 GLU A 69 -4.465 9.860 -11.905 1.00 2.21 H new ATOM 1183 N LEU A 70 -6.524 6.146 -8.858 1.00 41.33 N ATOM 1184 CA LEU A 70 -7.308 4.909 -8.706 1.00 5.03 C ATOM 1185 C LEU A 70 -8.083 4.911 -7.374 1.00 44.34 C ATOM 1186 O LEU A 70 -9.275 4.587 -7.346 1.00 51.04 O ATOM 1187 CB LEU A 70 -6.367 3.676 -8.809 1.00 41.13 C ATOM 1188 CG LEU A 70 -5.707 3.464 -10.209 1.00 70.44 C ATOM 1189 CD1 LEU A 70 -4.642 2.353 -10.187 1.00 40.03 C ATOM 1190 CD2 LEU A 70 -6.775 3.188 -11.285 1.00 44.41 C ATOM 0 H LEU A 70 -5.519 5.985 -8.918 1.00 41.33 H new ATOM 0 HA LEU A 70 -8.042 4.853 -9.510 1.00 5.03 H new ATOM 0 HB2 LEU A 70 -5.578 3.777 -8.064 1.00 41.13 H new ATOM 0 HB3 LEU A 70 -6.935 2.782 -8.553 1.00 41.13 H new ATOM 0 HG LEU A 70 -5.194 4.391 -10.466 1.00 70.44 H new ATOM 0 HD11 LEU A 70 -4.211 2.242 -11.182 1.00 40.03 H new ATOM 0 HD12 LEU A 70 -3.856 2.616 -9.479 1.00 40.03 H new ATOM 0 HD13 LEU A 70 -5.103 1.413 -9.884 1.00 40.03 H new ATOM 0 HD21 LEU A 70 -6.290 3.044 -12.250 1.00 44.41 H new ATOM 0 HD22 LEU A 70 -7.333 2.290 -11.022 1.00 44.41 H new ATOM 0 HD23 LEU A 70 -7.458 4.035 -11.345 1.00 44.41 H new ATOM 1202 N ALA A 71 -7.393 5.313 -6.291 1.00 21.53 N ATOM 1203 CA ALA A 71 -7.968 5.403 -4.935 1.00 42.51 C ATOM 1204 C ALA A 71 -9.141 6.402 -4.865 1.00 72.21 C ATOM 1205 O ALA A 71 -10.168 6.112 -4.238 1.00 20.12 O ATOM 1206 CB ALA A 71 -6.865 5.808 -3.946 1.00 60.52 C ATOM 0 H ALA A 71 -6.411 5.587 -6.332 1.00 21.53 H new ATOM 0 HA ALA A 71 -8.368 4.424 -4.671 1.00 42.51 H new ATOM 0 HB1 ALA A 71 -7.284 5.876 -2.942 1.00 60.52 H new ATOM 0 HB2 ALA A 71 -6.072 5.060 -3.959 1.00 60.52 H new ATOM 0 HB3 ALA A 71 -6.455 6.776 -4.235 1.00 60.52 H new ATOM 1212 N GLN A 72 -8.970 7.569 -5.525 1.00 64.30 N ATOM 1213 CA GLN A 72 -9.968 8.663 -5.516 1.00 30.21 C ATOM 1214 C GLN A 72 -11.197 8.298 -6.367 1.00 41.23 C ATOM 1215 O GLN A 72 -12.320 8.629 -5.993 1.00 41.13 O ATOM 1216 CB GLN A 72 -9.339 9.991 -6.017 1.00 32.42 C ATOM 1217 CG GLN A 72 -8.169 10.494 -5.157 1.00 73.33 C ATOM 1218 CD GLN A 72 -7.492 11.734 -5.738 1.00 22.23 C ATOM 1219 OE1 GLN A 72 -7.827 12.862 -5.379 1.00 53.41 O ATOM 1220 NE2 GLN A 72 -6.567 11.534 -6.669 1.00 54.43 N ATOM 0 H GLN A 72 -8.139 7.779 -6.078 1.00 64.30 H new ATOM 0 HA GLN A 72 -10.296 8.804 -4.486 1.00 30.21 H new ATOM 0 HB2 GLN A 72 -8.990 9.852 -7.040 1.00 32.42 H new ATOM 0 HB3 GLN A 72 -10.112 10.759 -6.045 1.00 32.42 H new ATOM 0 HG2 GLN A 72 -8.533 10.721 -4.155 1.00 73.33 H new ATOM 0 HG3 GLN A 72 -7.431 9.698 -5.055 1.00 73.33 H new ATOM 0 HE21 GLN A 72 -6.315 10.584 -6.941 1.00 54.43 H new ATOM 0 HE22 GLN A 72 -6.109 12.330 -7.112 1.00 54.43 H new ATOM 1229 N LYS A 73 -10.968 7.597 -7.499 1.00 32.32 N ATOM 1230 CA LYS A 73 -12.052 7.081 -8.376 1.00 21.41 C ATOM 1231 C LYS A 73 -12.928 6.055 -7.629 1.00 23.33 C ATOM 1232 O LYS A 73 -14.148 6.011 -7.812 1.00 64.25 O ATOM 1233 CB LYS A 73 -11.450 6.446 -9.663 1.00 71.34 C ATOM 1234 CG LYS A 73 -10.828 7.460 -10.661 1.00 21.42 C ATOM 1235 CD LYS A 73 -11.877 8.393 -11.325 1.00 40.25 C ATOM 1236 CE LYS A 73 -12.902 7.618 -12.176 1.00 62.22 C ATOM 1237 NZ LYS A 73 -13.879 8.522 -12.827 1.00 72.00 N ATOM 0 H LYS A 73 -10.031 7.371 -7.833 1.00 32.32 H new ATOM 0 HA LYS A 73 -12.685 7.921 -8.662 1.00 21.41 H new ATOM 0 HB2 LYS A 73 -10.684 5.728 -9.372 1.00 71.34 H new ATOM 0 HB3 LYS A 73 -12.233 5.887 -10.176 1.00 71.34 H new ATOM 0 HG2 LYS A 73 -10.091 8.069 -10.137 1.00 21.42 H new ATOM 0 HG3 LYS A 73 -10.295 6.913 -11.439 1.00 21.42 H new ATOM 0 HD2 LYS A 73 -12.402 8.953 -10.551 1.00 40.25 H new ATOM 0 HD3 LYS A 73 -11.364 9.121 -11.953 1.00 40.25 H new ATOM 0 HE2 LYS A 73 -12.378 7.041 -12.938 1.00 62.22 H new ATOM 0 HE3 LYS A 73 -13.432 6.905 -11.545 1.00 62.22 H new ATOM 0 HZ1 LYS A 73 -14.550 7.961 -13.389 1.00 72.00 H new ATOM 0 HZ2 LYS A 73 -14.397 9.055 -12.100 1.00 72.00 H new ATOM 0 HZ3 LYS A 73 -13.376 9.186 -13.450 1.00 72.00 H new ATOM 1251 N MET A 74 -12.275 5.244 -6.784 1.00 72.03 N ATOM 1252 CA MET A 74 -12.948 4.269 -5.902 1.00 30.05 C ATOM 1253 C MET A 74 -13.475 4.953 -4.618 1.00 64.41 C ATOM 1254 O MET A 74 -14.236 4.345 -3.865 1.00 3.13 O ATOM 1255 CB MET A 74 -11.957 3.140 -5.525 1.00 62.35 C ATOM 1256 CG MET A 74 -11.424 2.311 -6.699 1.00 55.25 C ATOM 1257 SD MET A 74 -12.677 1.273 -7.472 1.00 45.25 S ATOM 1258 CE MET A 74 -11.657 0.203 -8.493 1.00 34.54 C ATOM 0 H MET A 74 -11.259 5.243 -6.690 1.00 72.03 H new ATOM 0 HA MET A 74 -13.799 3.848 -6.438 1.00 30.05 H new ATOM 0 HB2 MET A 74 -11.110 3.584 -5.002 1.00 62.35 H new ATOM 0 HB3 MET A 74 -12.449 2.468 -4.822 1.00 62.35 H new ATOM 0 HG2 MET A 74 -11.007 2.983 -7.449 1.00 55.25 H new ATOM 0 HG3 MET A 74 -10.607 1.680 -6.347 1.00 55.25 H new ATOM 0 HE1 MET A 74 -12.290 -0.347 -9.189 1.00 34.54 H new ATOM 0 HE2 MET A 74 -10.943 0.807 -9.052 1.00 34.54 H new ATOM 0 HE3 MET A 74 -11.119 -0.501 -7.858 1.00 34.54 H new ATOM 1268 N GLU A 75 -13.017 6.202 -4.370 1.00 15.13 N ATOM 1269 CA GLU A 75 -13.349 7.003 -3.167 1.00 61.45 C ATOM 1270 C GLU A 75 -13.050 6.248 -1.845 1.00 43.12 C ATOM 1271 O GLU A 75 -13.653 6.537 -0.804 1.00 24.43 O ATOM 1272 CB GLU A 75 -14.824 7.508 -3.232 1.00 74.23 C ATOM 1273 CG GLU A 75 -15.121 8.439 -4.431 1.00 13.11 C ATOM 1274 CD GLU A 75 -16.525 9.071 -4.386 1.00 32.34 C ATOM 1275 OE1 GLU A 75 -16.699 10.111 -3.715 1.00 42.51 O ATOM 1276 OE2 GLU A 75 -17.463 8.528 -5.011 1.00 75.11 O ATOM 0 H GLU A 75 -12.394 6.691 -5.013 1.00 15.13 H new ATOM 0 HA GLU A 75 -12.694 7.874 -3.166 1.00 61.45 H new ATOM 0 HB2 GLU A 75 -15.490 6.646 -3.281 1.00 74.23 H new ATOM 0 HB3 GLU A 75 -15.056 8.038 -2.308 1.00 74.23 H new ATOM 0 HG2 GLU A 75 -14.375 9.233 -4.458 1.00 13.11 H new ATOM 0 HG3 GLU A 75 -15.016 7.872 -5.356 1.00 13.11 H new ATOM 1283 N ILE A 76 -12.095 5.295 -1.896 1.00 14.54 N ATOM 1284 CA ILE A 76 -11.650 4.536 -0.712 1.00 34.54 C ATOM 1285 C ILE A 76 -10.610 5.381 0.039 1.00 61.30 C ATOM 1286 O ILE A 76 -9.795 6.067 -0.589 1.00 14.44 O ATOM 1287 CB ILE A 76 -11.064 3.118 -1.102 1.00 1.23 C ATOM 1288 CG1 ILE A 76 -12.139 2.287 -1.878 1.00 65.24 C ATOM 1289 CG2 ILE A 76 -10.568 2.337 0.150 1.00 62.35 C ATOM 1290 CD1 ILE A 76 -11.671 0.921 -2.364 1.00 54.35 C ATOM 0 H ILE A 76 -11.614 5.032 -2.756 1.00 14.54 H new ATOM 0 HA ILE A 76 -12.508 4.342 -0.068 1.00 34.54 H new ATOM 0 HB ILE A 76 -10.202 3.278 -1.749 1.00 1.23 H new ATOM 0 HG12 ILE A 76 -13.005 2.148 -1.231 1.00 65.24 H new ATOM 0 HG13 ILE A 76 -12.473 2.867 -2.738 1.00 65.24 H new ATOM 0 HG21 ILE A 76 -10.173 1.369 -0.158 1.00 62.35 H new ATOM 0 HG22 ILE A 76 -9.784 2.907 0.648 1.00 62.35 H new ATOM 0 HG23 ILE A 76 -11.400 2.187 0.838 1.00 62.35 H new ATOM 0 HD11 ILE A 76 -12.486 0.423 -2.889 1.00 54.35 H new ATOM 0 HD12 ILE A 76 -10.826 1.046 -3.041 1.00 54.35 H new ATOM 0 HD13 ILE A 76 -11.366 0.316 -1.510 1.00 54.35 H new ATOM 1302 N ASP A 77 -10.665 5.344 1.376 1.00 25.42 N ATOM 1303 CA ASP A 77 -9.833 6.200 2.241 1.00 52.53 C ATOM 1304 C ASP A 77 -8.368 5.703 2.257 1.00 40.12 C ATOM 1305 O ASP A 77 -8.004 4.824 3.038 1.00 31.02 O ATOM 1306 CB ASP A 77 -10.441 6.231 3.673 1.00 1.52 C ATOM 1307 CG ASP A 77 -9.979 7.432 4.502 1.00 53.14 C ATOM 1308 OD1 ASP A 77 -10.221 8.572 4.063 1.00 2.12 O ATOM 1309 OD2 ASP A 77 -9.416 7.256 5.601 1.00 2.55 O ATOM 0 H ASP A 77 -11.286 4.721 1.892 1.00 25.42 H new ATOM 0 HA ASP A 77 -9.824 7.216 1.845 1.00 52.53 H new ATOM 0 HB2 ASP A 77 -11.528 6.247 3.598 1.00 1.52 H new ATOM 0 HB3 ASP A 77 -10.171 5.313 4.195 1.00 1.52 H new ATOM 1314 N VAL A 78 -7.541 6.264 1.361 1.00 73.45 N ATOM 1315 CA VAL A 78 -6.177 5.769 1.080 1.00 3.34 C ATOM 1316 C VAL A 78 -5.120 6.883 1.277 1.00 33.11 C ATOM 1317 O VAL A 78 -5.398 8.065 1.054 1.00 32.00 O ATOM 1318 CB VAL A 78 -6.074 5.199 -0.394 1.00 73.55 C ATOM 1319 CG1 VAL A 78 -4.662 4.650 -0.709 1.00 13.02 C ATOM 1320 CG2 VAL A 78 -7.143 4.108 -0.667 1.00 43.33 C ATOM 0 H VAL A 78 -7.798 7.080 0.805 1.00 73.45 H new ATOM 0 HA VAL A 78 -5.975 4.966 1.789 1.00 3.34 H new ATOM 0 HB VAL A 78 -6.265 6.041 -1.059 1.00 73.55 H new ATOM 0 HG11 VAL A 78 -4.639 4.270 -1.730 1.00 13.02 H new ATOM 0 HG12 VAL A 78 -3.929 5.449 -0.603 1.00 13.02 H new ATOM 0 HG13 VAL A 78 -4.422 3.843 -0.016 1.00 13.02 H new ATOM 0 HG21 VAL A 78 -7.038 3.743 -1.689 1.00 43.33 H new ATOM 0 HG22 VAL A 78 -7.005 3.281 0.029 1.00 43.33 H new ATOM 0 HG23 VAL A 78 -8.138 4.532 -0.534 1.00 43.33 H new ATOM 1330 N ARG A 79 -3.912 6.474 1.727 1.00 5.24 N ATOM 1331 CA ARG A 79 -2.695 7.301 1.714 1.00 23.20 C ATOM 1332 C ARG A 79 -1.722 6.647 0.741 1.00 73.51 C ATOM 1333 O ARG A 79 -1.353 5.485 0.936 1.00 71.21 O ATOM 1334 CB ARG A 79 -2.013 7.395 3.111 1.00 21.20 C ATOM 1335 CG ARG A 79 -2.875 8.004 4.230 1.00 73.35 C ATOM 1336 CD ARG A 79 -3.889 7.016 4.831 1.00 31.53 C ATOM 1337 NE ARG A 79 -4.782 7.681 5.795 1.00 63.54 N ATOM 1338 CZ ARG A 79 -6.095 7.479 5.894 1.00 70.33 C ATOM 1339 NH1 ARG A 79 -6.719 6.606 5.105 1.00 43.12 N ATOM 1340 NH2 ARG A 79 -6.798 8.174 6.772 1.00 5.13 N ATOM 0 H ARG A 79 -3.758 5.543 2.115 1.00 5.24 H new ATOM 0 HA ARG A 79 -2.967 8.316 1.423 1.00 23.20 H new ATOM 0 HB2 ARG A 79 -1.709 6.394 3.415 1.00 21.20 H new ATOM 0 HB3 ARG A 79 -1.104 7.989 3.013 1.00 21.20 H new ATOM 0 HG2 ARG A 79 -2.222 8.369 5.023 1.00 73.35 H new ATOM 0 HG3 ARG A 79 -3.411 8.867 3.836 1.00 73.35 H new ATOM 0 HD2 ARG A 79 -4.481 6.570 4.032 1.00 31.53 H new ATOM 0 HD3 ARG A 79 -3.358 6.203 5.326 1.00 31.53 H new ATOM 0 HE ARG A 79 -4.361 8.351 6.439 1.00 63.54 H new ATOM 0 HH11 ARG A 79 -6.191 6.078 4.410 1.00 43.12 H new ATOM 0 HH12 ARG A 79 -7.725 6.465 5.196 1.00 43.12 H new ATOM 0 HH21 ARG A 79 -6.335 8.860 7.368 1.00 5.13 H new ATOM 0 HH22 ARG A 79 -7.804 8.024 6.853 1.00 5.13 H new ATOM 1354 N THR A 80 -1.317 7.368 -0.301 1.00 33.05 N ATOM 1355 CA THR A 80 -0.351 6.870 -1.279 1.00 1.03 C ATOM 1356 C THR A 80 0.994 7.565 -1.009 1.00 34.33 C ATOM 1357 O THR A 80 1.103 8.790 -1.130 1.00 51.31 O ATOM 1358 CB THR A 80 -0.839 7.128 -2.739 1.00 21.53 C ATOM 1359 OG1 THR A 80 -2.215 6.726 -2.865 1.00 71.22 O ATOM 1360 CG2 THR A 80 0.001 6.357 -3.774 1.00 75.00 C ATOM 0 H THR A 80 -1.648 8.314 -0.492 1.00 33.05 H new ATOM 0 HA THR A 80 -0.240 5.791 -1.177 1.00 1.03 H new ATOM 0 HB THR A 80 -0.728 8.194 -2.937 1.00 21.53 H new ATOM 0 HG1 THR A 80 -2.521 6.890 -3.781 1.00 71.22 H new ATOM 0 HG21 THR A 80 -0.374 6.566 -4.776 1.00 75.00 H new ATOM 0 HG22 THR A 80 1.043 6.671 -3.704 1.00 75.00 H new ATOM 0 HG23 THR A 80 -0.070 5.287 -3.576 1.00 75.00 H new ATOM 1368 N ARG A 81 1.993 6.783 -0.573 1.00 72.43 N ATOM 1369 CA ARG A 81 3.341 7.261 -0.223 1.00 40.10 C ATOM 1370 C ARG A 81 4.354 6.648 -1.181 1.00 73.01 C ATOM 1371 O ARG A 81 4.248 5.465 -1.520 1.00 32.32 O ATOM 1372 CB ARG A 81 3.691 6.862 1.237 1.00 34.34 C ATOM 1373 CG ARG A 81 2.784 7.473 2.332 1.00 1.41 C ATOM 1374 CD ARG A 81 2.995 8.987 2.545 1.00 53.01 C ATOM 1375 NE ARG A 81 2.486 9.823 1.436 1.00 63.24 N ATOM 1376 CZ ARG A 81 2.597 11.159 1.359 1.00 24.22 C ATOM 1377 NH1 ARG A 81 3.189 11.860 2.326 1.00 32.01 N ATOM 1378 NH2 ARG A 81 2.111 11.789 0.301 1.00 54.22 N ATOM 0 H ARG A 81 1.884 5.776 -0.451 1.00 72.43 H new ATOM 0 HA ARG A 81 3.369 8.348 -0.304 1.00 40.10 H new ATOM 0 HB2 ARG A 81 3.647 5.776 1.318 1.00 34.34 H new ATOM 0 HB3 ARG A 81 4.721 7.156 1.438 1.00 34.34 H new ATOM 0 HG2 ARG A 81 1.742 7.295 2.068 1.00 1.41 H new ATOM 0 HG3 ARG A 81 2.967 6.954 3.273 1.00 1.41 H new ATOM 0 HD2 ARG A 81 2.501 9.287 3.469 1.00 53.01 H new ATOM 0 HD3 ARG A 81 4.060 9.181 2.675 1.00 53.01 H new ATOM 0 HE ARG A 81 2.013 9.347 0.668 1.00 63.24 H new ATOM 0 HH11 ARG A 81 3.568 11.382 3.144 1.00 32.01 H new ATOM 0 HH12 ARG A 81 3.263 12.874 2.248 1.00 32.01 H new ATOM 0 HH21 ARG A 81 1.658 11.260 -0.444 1.00 54.22 H new ATOM 0 HH22 ARG A 81 2.189 12.804 0.231 1.00 54.22 H new ATOM 1392 N LYS A 82 5.327 7.448 -1.621 1.00 30.53 N ATOM 1393 CA LYS A 82 6.418 6.964 -2.472 1.00 71.33 C ATOM 1394 C LYS A 82 7.645 6.652 -1.612 1.00 51.11 C ATOM 1395 O LYS A 82 7.988 7.420 -0.703 1.00 32.21 O ATOM 1396 CB LYS A 82 6.793 7.996 -3.555 1.00 3.14 C ATOM 1397 CG LYS A 82 7.778 7.443 -4.612 1.00 55.24 C ATOM 1398 CD LYS A 82 8.394 8.531 -5.502 1.00 3.12 C ATOM 1399 CE LYS A 82 9.305 9.495 -4.726 1.00 44.42 C ATOM 1400 NZ LYS A 82 9.934 10.495 -5.623 1.00 3.42 N ATOM 0 H LYS A 82 5.382 8.442 -1.400 1.00 30.53 H new ATOM 0 HA LYS A 82 6.076 6.059 -2.973 1.00 71.33 H new ATOM 0 HB2 LYS A 82 5.885 8.333 -4.056 1.00 3.14 H new ATOM 0 HB3 LYS A 82 7.237 8.869 -3.077 1.00 3.14 H new ATOM 0 HG2 LYS A 82 8.578 6.903 -4.105 1.00 55.24 H new ATOM 0 HG3 LYS A 82 7.256 6.722 -5.241 1.00 55.24 H new ATOM 0 HD2 LYS A 82 8.968 8.059 -6.299 1.00 3.12 H new ATOM 0 HD3 LYS A 82 7.595 9.099 -5.978 1.00 3.12 H new ATOM 0 HE2 LYS A 82 8.724 10.008 -3.960 1.00 44.42 H new ATOM 0 HE3 LYS A 82 10.081 8.928 -4.212 1.00 44.42 H new ATOM 0 HZ1 LYS A 82 10.593 11.085 -5.077 1.00 3.42 H new ATOM 0 HZ2 LYS A 82 10.453 10.005 -6.379 1.00 3.42 H new ATOM 0 HZ3 LYS A 82 9.197 11.097 -6.043 1.00 3.42 H new ATOM 1414 N VAL A 83 8.296 5.520 -1.910 1.00 42.20 N ATOM 1415 CA VAL A 83 9.509 5.073 -1.229 1.00 71.11 C ATOM 1416 C VAL A 83 10.562 4.684 -2.279 1.00 12.41 C ATOM 1417 O VAL A 83 10.254 4.036 -3.288 1.00 34.43 O ATOM 1418 CB VAL A 83 9.217 3.875 -0.237 1.00 53.32 C ATOM 1419 CG1 VAL A 83 8.208 4.307 0.847 1.00 11.21 C ATOM 1420 CG2 VAL A 83 8.712 2.606 -0.972 1.00 1.15 C ATOM 0 H VAL A 83 7.986 4.882 -2.643 1.00 42.20 H new ATOM 0 HA VAL A 83 9.893 5.892 -0.621 1.00 71.11 H new ATOM 0 HB VAL A 83 10.163 3.615 0.237 1.00 53.32 H new ATOM 0 HG11 VAL A 83 8.018 3.472 1.521 1.00 11.21 H new ATOM 0 HG12 VAL A 83 8.618 5.144 1.413 1.00 11.21 H new ATOM 0 HG13 VAL A 83 7.274 4.611 0.374 1.00 11.21 H new ATOM 0 HG21 VAL A 83 8.527 1.814 -0.246 1.00 1.15 H new ATOM 0 HG22 VAL A 83 7.788 2.836 -1.502 1.00 1.15 H new ATOM 0 HG23 VAL A 83 9.466 2.274 -1.686 1.00 1.15 H new ATOM 1430 N THR A 84 11.795 5.134 -2.054 1.00 5.14 N ATOM 1431 CA THR A 84 12.959 4.805 -2.891 1.00 43.12 C ATOM 1432 C THR A 84 13.910 3.859 -2.128 1.00 0.51 C ATOM 1433 O THR A 84 14.997 3.529 -2.614 1.00 64.32 O ATOM 1434 CB THR A 84 13.701 6.123 -3.313 1.00 22.33 C ATOM 1435 OG1 THR A 84 14.019 6.894 -2.138 1.00 52.22 O ATOM 1436 CG2 THR A 84 12.848 6.984 -4.271 1.00 21.34 C ATOM 0 H THR A 84 12.023 5.749 -1.272 1.00 5.14 H new ATOM 0 HA THR A 84 12.621 4.294 -3.793 1.00 43.12 H new ATOM 0 HB THR A 84 14.612 5.836 -3.839 1.00 22.33 H new ATOM 0 HG1 THR A 84 14.484 7.716 -2.402 1.00 52.22 H new ATOM 0 HG21 THR A 84 13.399 7.886 -4.538 1.00 21.34 H new ATOM 0 HG22 THR A 84 12.627 6.414 -5.173 1.00 21.34 H new ATOM 0 HG23 THR A 84 11.916 7.261 -3.779 1.00 21.34 H new ATOM 1444 N SER A 85 13.457 3.409 -0.940 1.00 21.43 N ATOM 1445 CA SER A 85 14.262 2.631 0.010 1.00 62.03 C ATOM 1446 C SER A 85 13.322 1.856 0.967 1.00 33.42 C ATOM 1447 O SER A 85 12.277 2.401 1.372 1.00 23.14 O ATOM 1448 CB SER A 85 15.202 3.588 0.785 1.00 4.03 C ATOM 1449 OG SER A 85 14.514 4.759 1.190 1.00 54.30 O ATOM 0 H SER A 85 12.506 3.581 -0.613 1.00 21.43 H new ATOM 0 HA SER A 85 14.878 1.904 -0.519 1.00 62.03 H new ATOM 0 HB2 SER A 85 15.605 3.078 1.660 1.00 4.03 H new ATOM 0 HB3 SER A 85 16.050 3.859 0.156 1.00 4.03 H new ATOM 0 HG SER A 85 14.497 4.806 2.169 1.00 54.30 H new ATOM 1455 N PRO A 86 13.656 0.565 1.315 1.00 3.42 N ATOM 1456 CA PRO A 86 12.819 -0.288 2.200 1.00 74.01 C ATOM 1457 C PRO A 86 12.524 0.338 3.581 1.00 51.42 C ATOM 1458 O PRO A 86 11.397 0.238 4.053 1.00 21.04 O ATOM 1459 CB PRO A 86 13.634 -1.610 2.328 1.00 10.31 C ATOM 1460 CG PRO A 86 15.020 -1.268 1.874 1.00 43.13 C ATOM 1461 CD PRO A 86 14.848 -0.187 0.829 1.00 42.53 C ATOM 0 HA PRO A 86 11.825 -0.433 1.777 1.00 74.01 H new ATOM 0 HB2 PRO A 86 13.636 -1.973 3.356 1.00 10.31 H new ATOM 0 HB3 PRO A 86 13.202 -2.399 1.712 1.00 10.31 H new ATOM 0 HG2 PRO A 86 15.630 -0.916 2.706 1.00 43.13 H new ATOM 0 HG3 PRO A 86 15.523 -2.141 1.457 1.00 43.13 H new ATOM 0 HD2 PRO A 86 15.728 0.452 0.761 1.00 42.53 H new ATOM 0 HD3 PRO A 86 14.683 -0.608 -0.163 1.00 42.53 H new ATOM 1469 N ASP A 87 13.529 1.003 4.200 1.00 22.23 N ATOM 1470 CA ASP A 87 13.392 1.601 5.565 1.00 62.12 C ATOM 1471 C ASP A 87 12.267 2.646 5.618 1.00 31.21 C ATOM 1472 O ASP A 87 11.595 2.790 6.646 1.00 13.30 O ATOM 1473 CB ASP A 87 14.734 2.229 6.051 1.00 22.31 C ATOM 1474 CG ASP A 87 15.732 1.181 6.570 1.00 23.21 C ATOM 1475 OD1 ASP A 87 16.293 0.422 5.749 1.00 32.22 O ATOM 1476 OD2 ASP A 87 15.958 1.105 7.807 1.00 33.45 O ATOM 0 H ASP A 87 14.448 1.143 3.781 1.00 22.23 H new ATOM 0 HA ASP A 87 13.130 0.786 6.240 1.00 62.12 H new ATOM 0 HB2 ASP A 87 15.190 2.781 5.229 1.00 22.31 H new ATOM 0 HB3 ASP A 87 14.527 2.949 6.843 1.00 22.31 H new ATOM 1481 N GLU A 88 12.079 3.370 4.501 1.00 23.32 N ATOM 1482 CA GLU A 88 10.994 4.359 4.355 1.00 21.44 C ATOM 1483 C GLU A 88 9.627 3.658 4.309 1.00 73.14 C ATOM 1484 O GLU A 88 8.691 4.100 4.978 1.00 15.11 O ATOM 1485 CB GLU A 88 11.251 5.243 3.094 1.00 30.22 C ATOM 1486 CG GLU A 88 12.197 6.462 3.323 1.00 12.01 C ATOM 1487 CD GLU A 88 13.366 6.199 4.306 1.00 34.32 C ATOM 1488 OE1 GLU A 88 14.244 5.362 4.008 1.00 42.44 O ATOM 1489 OE2 GLU A 88 13.399 6.818 5.392 1.00 31.55 O ATOM 0 H GLU A 88 12.672 3.287 3.676 1.00 23.32 H new ATOM 0 HA GLU A 88 10.982 5.018 5.223 1.00 21.44 H new ATOM 0 HB2 GLU A 88 11.675 4.616 2.310 1.00 30.22 H new ATOM 0 HB3 GLU A 88 10.293 5.610 2.725 1.00 30.22 H new ATOM 0 HG2 GLU A 88 12.610 6.769 2.362 1.00 12.01 H new ATOM 0 HG3 GLU A 88 11.606 7.298 3.698 1.00 12.01 H new ATOM 1496 N ALA A 89 9.542 2.548 3.541 1.00 12.11 N ATOM 1497 CA ALA A 89 8.306 1.736 3.421 1.00 64.41 C ATOM 1498 C ALA A 89 7.891 1.185 4.791 1.00 12.24 C ATOM 1499 O ALA A 89 6.716 1.225 5.162 1.00 64.21 O ATOM 1500 CB ALA A 89 8.507 0.594 2.403 1.00 54.30 C ATOM 0 H ALA A 89 10.322 2.190 2.990 1.00 12.11 H new ATOM 0 HA ALA A 89 7.503 2.376 3.057 1.00 64.41 H new ATOM 0 HB1 ALA A 89 7.591 0.008 2.327 1.00 54.30 H new ATOM 0 HB2 ALA A 89 8.750 1.015 1.427 1.00 54.30 H new ATOM 0 HB3 ALA A 89 9.322 -0.049 2.734 1.00 54.30 H new ATOM 1506 N LYS A 90 8.903 0.730 5.547 1.00 54.21 N ATOM 1507 CA LYS A 90 8.738 0.151 6.885 1.00 12.30 C ATOM 1508 C LYS A 90 8.264 1.216 7.888 1.00 74.11 C ATOM 1509 O LYS A 90 7.455 0.915 8.779 1.00 43.34 O ATOM 1510 CB LYS A 90 10.087 -0.454 7.350 1.00 4.33 C ATOM 1511 CG LYS A 90 10.623 -1.590 6.449 1.00 50.15 C ATOM 1512 CD LYS A 90 12.063 -2.022 6.818 1.00 53.13 C ATOM 1513 CE LYS A 90 12.164 -2.707 8.191 1.00 21.23 C ATOM 1514 NZ LYS A 90 13.566 -3.058 8.534 1.00 21.44 N ATOM 0 H LYS A 90 9.875 0.756 5.238 1.00 54.21 H new ATOM 0 HA LYS A 90 7.980 -0.631 6.840 1.00 12.30 H new ATOM 0 HB2 LYS A 90 10.832 0.341 7.393 1.00 4.33 H new ATOM 0 HB3 LYS A 90 9.969 -0.836 8.364 1.00 4.33 H new ATOM 0 HG2 LYS A 90 9.960 -2.451 6.526 1.00 50.15 H new ATOM 0 HG3 LYS A 90 10.602 -1.263 5.409 1.00 50.15 H new ATOM 0 HD2 LYS A 90 12.437 -2.702 6.053 1.00 53.13 H new ATOM 0 HD3 LYS A 90 12.711 -1.145 6.810 1.00 53.13 H new ATOM 0 HE2 LYS A 90 11.758 -2.046 8.957 1.00 21.23 H new ATOM 0 HE3 LYS A 90 11.553 -3.610 8.192 1.00 21.23 H new ATOM 0 HZ1 LYS A 90 13.585 -3.563 9.443 1.00 21.44 H new ATOM 0 HZ2 LYS A 90 13.963 -3.668 7.791 1.00 21.44 H new ATOM 0 HZ3 LYS A 90 14.133 -2.189 8.609 1.00 21.44 H new ATOM 1528 N ARG A 91 8.794 2.456 7.738 1.00 73.23 N ATOM 1529 CA ARG A 91 8.417 3.594 8.596 1.00 70.43 C ATOM 1530 C ARG A 91 6.918 3.906 8.456 1.00 21.03 C ATOM 1531 O ARG A 91 6.210 3.971 9.463 1.00 61.23 O ATOM 1532 CB ARG A 91 9.233 4.878 8.265 1.00 65.24 C ATOM 1533 CG ARG A 91 8.771 6.119 9.081 1.00 62.34 C ATOM 1534 CD ARG A 91 9.368 7.448 8.608 1.00 34.11 C ATOM 1535 NE ARG A 91 8.648 8.573 9.239 1.00 64.30 N ATOM 1536 CZ ARG A 91 8.665 9.850 8.831 1.00 11.14 C ATOM 1537 NH1 ARG A 91 9.385 10.226 7.781 1.00 51.31 N ATOM 1538 NH2 ARG A 91 7.914 10.740 9.463 1.00 3.33 N ATOM 0 H ARG A 91 9.486 2.688 7.026 1.00 73.23 H new ATOM 0 HA ARG A 91 8.643 3.298 9.621 1.00 70.43 H new ATOM 0 HB2 ARG A 91 10.289 4.692 8.463 1.00 65.24 H new ATOM 0 HB3 ARG A 91 9.142 5.095 7.201 1.00 65.24 H new ATOM 0 HG2 ARG A 91 7.684 6.186 9.033 1.00 62.34 H new ATOM 0 HG3 ARG A 91 9.035 5.969 10.128 1.00 62.34 H new ATOM 0 HD2 ARG A 91 10.427 7.493 8.863 1.00 34.11 H new ATOM 0 HD3 ARG A 91 9.298 7.523 7.523 1.00 34.11 H new ATOM 0 HE ARG A 91 8.085 8.358 10.062 1.00 64.30 H new ATOM 0 HH11 ARG A 91 9.938 9.539 7.269 1.00 51.31 H new ATOM 0 HH12 ARG A 91 9.385 11.202 7.486 1.00 51.31 H new ATOM 0 HH21 ARG A 91 7.333 10.450 10.249 1.00 3.33 H new ATOM 0 HH22 ARG A 91 7.917 11.715 9.163 1.00 3.33 H new ATOM 1552 N TRP A 92 6.449 4.108 7.202 1.00 24.50 N ATOM 1553 CA TRP A 92 5.037 4.446 6.920 1.00 44.43 C ATOM 1554 C TRP A 92 4.072 3.381 7.455 1.00 2.23 C ATOM 1555 O TRP A 92 2.983 3.722 7.897 1.00 23.34 O ATOM 1556 CB TRP A 92 4.793 4.664 5.399 1.00 42.12 C ATOM 1557 CG TRP A 92 5.633 5.760 4.764 1.00 53.13 C ATOM 1558 CD1 TRP A 92 6.456 5.636 3.682 1.00 20.33 C ATOM 1559 CD2 TRP A 92 5.726 7.139 5.170 1.00 54.33 C ATOM 1560 NE1 TRP A 92 7.058 6.829 3.396 1.00 60.04 N ATOM 1561 CE2 TRP A 92 6.630 7.767 4.293 1.00 12.13 C ATOM 1562 CE3 TRP A 92 5.135 7.903 6.185 1.00 14.31 C ATOM 1563 CZ2 TRP A 92 6.954 9.116 4.397 1.00 10.24 C ATOM 1564 CZ3 TRP A 92 5.467 9.240 6.293 1.00 41.24 C ATOM 1565 CH2 TRP A 92 6.368 9.833 5.401 1.00 22.42 C ATOM 0 H TRP A 92 7.032 4.042 6.368 1.00 24.50 H new ATOM 0 HA TRP A 92 4.836 5.381 7.443 1.00 44.43 H new ATOM 0 HB2 TRP A 92 4.990 3.728 4.877 1.00 42.12 H new ATOM 0 HB3 TRP A 92 3.740 4.899 5.245 1.00 42.12 H new ATOM 0 HD1 TRP A 92 6.610 4.721 3.129 1.00 20.33 H new ATOM 0 HE1 TRP A 92 7.719 6.993 2.637 1.00 60.04 H new ATOM 0 HE3 TRP A 92 4.432 7.455 6.871 1.00 14.31 H new ATOM 0 HZ2 TRP A 92 7.644 9.580 3.708 1.00 10.24 H new ATOM 0 HZ3 TRP A 92 5.025 9.836 7.077 1.00 41.24 H new ATOM 0 HH2 TRP A 92 6.605 10.881 5.509 1.00 22.42 H new ATOM 1576 N ILE A 93 4.493 2.098 7.421 1.00 15.35 N ATOM 1577 CA ILE A 93 3.674 0.972 7.919 1.00 31.03 C ATOM 1578 C ILE A 93 3.566 1.038 9.452 1.00 51.41 C ATOM 1579 O ILE A 93 2.475 0.840 10.007 1.00 63.33 O ATOM 1580 CB ILE A 93 4.265 -0.417 7.456 1.00 54.12 C ATOM 1581 CG1 ILE A 93 4.183 -0.538 5.902 1.00 4.44 C ATOM 1582 CG2 ILE A 93 3.565 -1.625 8.148 1.00 72.31 C ATOM 1583 CD1 ILE A 93 4.829 -1.785 5.332 1.00 65.51 C ATOM 0 H ILE A 93 5.401 1.816 7.051 1.00 15.35 H new ATOM 0 HA ILE A 93 2.675 1.060 7.492 1.00 31.03 H new ATOM 0 HB ILE A 93 5.310 -0.449 7.764 1.00 54.12 H new ATOM 0 HG12 ILE A 93 3.135 -0.519 5.604 1.00 4.44 H new ATOM 0 HG13 ILE A 93 4.657 0.337 5.457 1.00 4.44 H new ATOM 0 HG21 ILE A 93 4.010 -2.555 7.794 1.00 72.31 H new ATOM 0 HG22 ILE A 93 3.693 -1.550 9.228 1.00 72.31 H new ATOM 0 HG23 ILE A 93 2.502 -1.616 7.907 1.00 72.31 H new ATOM 0 HD11 ILE A 93 4.724 -1.785 4.247 1.00 65.51 H new ATOM 0 HD12 ILE A 93 5.887 -1.799 5.595 1.00 65.51 H new ATOM 0 HD13 ILE A 93 4.341 -2.668 5.744 1.00 65.51 H new ATOM 1595 N LYS A 94 4.706 1.325 10.121 1.00 1.53 N ATOM 1596 CA LYS A 94 4.758 1.530 11.580 1.00 64.45 C ATOM 1597 C LYS A 94 3.798 2.656 12.003 1.00 4.14 C ATOM 1598 O LYS A 94 2.936 2.441 12.847 1.00 22.14 O ATOM 1599 CB LYS A 94 6.219 1.839 12.037 1.00 2.41 C ATOM 1600 CG LYS A 94 6.392 2.185 13.546 1.00 32.43 C ATOM 1601 CD LYS A 94 5.908 1.055 14.501 1.00 34.20 C ATOM 1602 CE LYS A 94 6.729 -0.243 14.382 1.00 70.34 C ATOM 1603 NZ LYS A 94 6.144 -1.354 15.174 1.00 12.22 N ATOM 0 H LYS A 94 5.612 1.420 9.662 1.00 1.53 H new ATOM 0 HA LYS A 94 4.437 0.611 12.071 1.00 64.45 H new ATOM 0 HB2 LYS A 94 6.843 0.976 11.807 1.00 2.41 H new ATOM 0 HB3 LYS A 94 6.597 2.673 11.446 1.00 2.41 H new ATOM 0 HG2 LYS A 94 7.443 2.393 13.745 1.00 32.43 H new ATOM 0 HG3 LYS A 94 5.839 3.098 13.767 1.00 32.43 H new ATOM 0 HD2 LYS A 94 5.957 1.413 15.529 1.00 34.20 H new ATOM 0 HD3 LYS A 94 4.862 0.835 14.289 1.00 34.20 H new ATOM 0 HE2 LYS A 94 6.788 -0.538 13.334 1.00 70.34 H new ATOM 0 HE3 LYS A 94 7.749 -0.057 14.719 1.00 70.34 H new ATOM 0 HZ1 LYS A 94 6.730 -2.206 15.063 1.00 12.22 H new ATOM 0 HZ2 LYS A 94 6.111 -1.085 16.178 1.00 12.22 H new ATOM 0 HZ3 LYS A 94 5.180 -1.551 14.837 1.00 12.22 H new ATOM 1617 N GLU A 95 3.928 3.837 11.368 1.00 43.33 N ATOM 1618 CA GLU A 95 3.140 5.035 11.721 1.00 71.33 C ATOM 1619 C GLU A 95 1.638 4.821 11.433 1.00 41.32 C ATOM 1620 O GLU A 95 0.792 5.206 12.236 1.00 24.41 O ATOM 1621 CB GLU A 95 3.670 6.276 10.961 1.00 31.02 C ATOM 1622 CG GLU A 95 5.141 6.646 11.263 1.00 61.31 C ATOM 1623 CD GLU A 95 5.586 7.978 10.626 1.00 55.13 C ATOM 1624 OE1 GLU A 95 5.248 8.225 9.456 1.00 71.14 O ATOM 1625 OE2 GLU A 95 6.298 8.777 11.285 1.00 34.34 O ATOM 0 H GLU A 95 4.580 3.988 10.598 1.00 43.33 H new ATOM 0 HA GLU A 95 3.253 5.208 12.791 1.00 71.33 H new ATOM 0 HB2 GLU A 95 3.568 6.099 9.890 1.00 31.02 H new ATOM 0 HB3 GLU A 95 3.038 7.130 11.205 1.00 31.02 H new ATOM 0 HG2 GLU A 95 5.277 6.706 12.343 1.00 61.31 H new ATOM 0 HG3 GLU A 95 5.789 5.847 10.904 1.00 61.31 H new ATOM 1632 N PHE A 96 1.334 4.172 10.296 1.00 33.41 N ATOM 1633 CA PHE A 96 -0.049 3.841 9.872 1.00 41.22 C ATOM 1634 C PHE A 96 -0.719 2.880 10.879 1.00 1.11 C ATOM 1635 O PHE A 96 -1.939 2.913 11.071 1.00 34.55 O ATOM 1636 CB PHE A 96 -0.004 3.226 8.445 1.00 11.13 C ATOM 1637 CG PHE A 96 -1.354 2.929 7.795 1.00 23.04 C ATOM 1638 CD1 PHE A 96 -2.184 3.968 7.364 1.00 31.11 C ATOM 1639 CD2 PHE A 96 -1.781 1.611 7.593 1.00 63.11 C ATOM 1640 CE1 PHE A 96 -3.393 3.695 6.756 1.00 51.44 C ATOM 1641 CE2 PHE A 96 -2.989 1.347 6.989 1.00 13.11 C ATOM 1642 CZ PHE A 96 -3.793 2.387 6.572 1.00 3.50 C ATOM 0 H PHE A 96 2.044 3.857 9.635 1.00 33.41 H new ATOM 0 HA PHE A 96 -0.651 4.749 9.850 1.00 41.22 H new ATOM 0 HB2 PHE A 96 0.546 3.907 7.796 1.00 11.13 H new ATOM 0 HB3 PHE A 96 0.566 2.298 8.490 1.00 11.13 H new ATOM 0 HD1 PHE A 96 -1.877 4.993 7.508 1.00 31.11 H new ATOM 0 HD2 PHE A 96 -1.155 0.792 7.915 1.00 63.11 H new ATOM 0 HE1 PHE A 96 -4.026 4.505 6.424 1.00 51.44 H new ATOM 0 HE2 PHE A 96 -3.307 0.326 6.842 1.00 13.11 H new ATOM 0 HZ PHE A 96 -4.741 2.177 6.099 1.00 3.50 H new ATOM 1652 N SER A 97 0.106 2.039 11.518 1.00 42.21 N ATOM 1653 CA SER A 97 -0.333 1.114 12.563 1.00 73.43 C ATOM 1654 C SER A 97 -0.620 1.885 13.874 1.00 21.33 C ATOM 1655 O SER A 97 -1.709 1.750 14.448 1.00 33.01 O ATOM 1656 CB SER A 97 0.749 0.030 12.769 1.00 54.40 C ATOM 1657 OG SER A 97 0.337 -0.986 13.664 1.00 63.30 O ATOM 0 H SER A 97 1.105 1.984 11.320 1.00 42.21 H new ATOM 0 HA SER A 97 -1.260 0.626 12.260 1.00 73.43 H new ATOM 0 HB2 SER A 97 0.998 -0.417 11.807 1.00 54.40 H new ATOM 0 HB3 SER A 97 1.658 0.497 13.148 1.00 54.40 H new ATOM 0 HG SER A 97 1.120 -1.350 14.128 1.00 63.30 H new