USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 766 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 53 MET CE :methyl 154:sc= -0.33 (180deg=-1.81!) USER MOD Set 1.2: A 57 MET CE :methyl -142:sc= -2.2 (180deg=-3.18!) USER MOD Set 2.1: A 43 CYS SG : rot 180:sc= -0.803 USER MOD Set 2.2: A 45 SER OG : rot 21:sc= 0.148 USER MOD Set 3.1: A 7 MET CE :methyl -126:sc= -3.32 (180deg=-8.07!) USER MOD Set 3.2: A 41 SER OG : rot -75:sc= -1.32 USER MOD Single : A 2 LYS NZ :NH3+ -152:sc= -0.118 (180deg=-0.686) USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -1.27 K(o=-1.3,f=0.12) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 33:sc= 0.0511 USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.0988 (180deg=-0.73) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.73! X(o=-1.7!,f=-2) USER MOD Single : A 18 ASN : amide:sc= -0.817 K(o=-0.82,f=-0.19) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= -0.0823 (180deg=-0.602) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= -0.176 (180deg=-0.945) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 120:sc= -0.403 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0439 USER MOD Single : A 38 ASN : amide:sc= -0.939! X(o=-0.94!,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0457) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.127! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc=-0.00918 (180deg=-0.195) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.23 K(o=-1.2,f=-8.2!) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.11! USER MOD Single : A 74 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 77 SER OG : rot -11:sc= -0.952 USER MOD Single : A 79 SER OG : rot -36:sc= 0.624 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.19) USER MOD Single : A 88 SER OG : rot 60:sc= 0.829 USER MOD Single : A 90 HIS : no HD1:sc= -2! C(o=-2!,f=-5.9!) USER MOD Single : A 91 SER OG : rot -99:sc= 0.885 USER MOD Single : A 93 SER OG : rot 108:sc= 0.254! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.597 12.296 -0.307 1.00 1.00 N ATOM 21 CA LYS A 2 12.085 10.931 -0.579 1.00 1.00 C ATOM 22 C LYS A 2 11.363 9.887 0.281 1.00 1.00 C ATOM 23 O LYS A 2 11.978 9.220 1.113 1.00 1.00 O ATOM 24 CB LYS A 2 13.609 10.851 -0.338 1.00 1.00 C ATOM 25 CG LYS A 2 13.971 11.186 1.138 1.00 1.00 C ATOM 26 CD LYS A 2 14.624 12.580 1.245 1.00 1.00 C ATOM 27 CE LYS A 2 16.122 12.475 0.935 1.00 1.00 C ATOM 28 NZ LYS A 2 16.803 11.718 2.022 1.00 1.00 N ATOM 0 HA LYS A 2 11.871 10.707 -1.624 1.00 1.00 H new ATOM 0 HB2 LYS A 2 13.965 9.850 -0.583 1.00 1.00 H new ATOM 0 HB3 LYS A 2 14.121 11.544 -1.006 1.00 1.00 H new ATOM 0 HG2 LYS A 2 13.072 11.154 1.753 1.00 1.00 H new ATOM 0 HG3 LYS A 2 14.652 10.430 1.530 1.00 1.00 H new ATOM 0 HD2 LYS A 2 14.147 13.270 0.549 1.00 1.00 H new ATOM 0 HD3 LYS A 2 14.478 12.985 2.246 1.00 1.00 H new ATOM 0 HE2 LYS A 2 16.272 11.973 -0.021 1.00 1.00 H new ATOM 0 HE3 LYS A 2 16.556 13.471 0.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 17.793 12.028 2.093 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 16.319 11.896 2.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 16.773 10.701 1.808 1.00 1.00 H new ATOM 42 N PRO A 3 10.071 9.748 0.106 1.00 1.00 N ATOM 43 CA PRO A 3 9.250 8.782 0.892 1.00 1.00 C ATOM 44 C PRO A 3 9.210 7.367 0.297 1.00 1.00 C ATOM 45 O PRO A 3 9.547 6.392 0.972 1.00 1.00 O ATOM 46 CB PRO A 3 7.863 9.430 0.848 1.00 1.00 C ATOM 47 CG PRO A 3 7.798 10.113 -0.487 1.00 1.00 C ATOM 48 CD PRO A 3 9.241 10.495 -0.862 1.00 1.00 C ATOM 0 HA PRO A 3 9.654 8.624 1.892 1.00 1.00 H new ATOM 0 HB2 PRO A 3 7.075 8.684 0.949 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.734 10.142 1.663 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.365 9.453 -1.238 1.00 1.00 H new ATOM 0 HG3 PRO A 3 7.164 10.998 -0.438 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.474 10.214 -1.889 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.403 11.570 -0.781 1.00 1.00 H new ATOM 56 N LEU A 4 8.760 7.263 -0.953 1.00 1.00 N ATOM 57 CA LEU A 4 8.629 5.966 -1.628 1.00 1.00 C ATOM 58 C LEU A 4 9.871 5.616 -2.462 1.00 1.00 C ATOM 59 O LEU A 4 9.933 4.540 -3.058 1.00 1.00 O ATOM 60 CB LEU A 4 7.400 6.022 -2.560 1.00 1.00 C ATOM 61 CG LEU A 4 6.074 5.779 -1.798 1.00 1.00 C ATOM 62 CD1 LEU A 4 5.938 4.309 -1.376 1.00 1.00 C ATOM 63 CD2 LEU A 4 5.969 6.677 -0.559 1.00 1.00 C ATOM 0 H LEU A 4 8.479 8.061 -1.522 1.00 1.00 H new ATOM 0 HA LEU A 4 8.516 5.197 -0.864 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.362 6.995 -3.050 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.508 5.274 -3.345 1.00 1.00 H new ATOM 0 HG LEU A 4 5.263 6.028 -2.483 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.997 4.169 -0.843 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.952 3.674 -2.261 1.00 1.00 H new ATOM 0 HD13 LEU A 4 6.768 4.040 -0.723 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.027 6.482 -0.047 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.799 6.466 0.115 1.00 1.00 H new ATOM 0 HD23 LEU A 4 6.006 7.723 -0.863 1.00 1.00 H new ATOM 75 N SER A 5 10.831 6.527 -2.531 1.00 1.00 N ATOM 76 CA SER A 5 12.033 6.309 -3.340 1.00 1.00 C ATOM 77 C SER A 5 12.930 5.198 -2.802 1.00 1.00 C ATOM 78 O SER A 5 13.808 4.709 -3.514 1.00 1.00 O ATOM 79 CB SER A 5 12.846 7.597 -3.402 1.00 1.00 C ATOM 80 OG SER A 5 13.359 7.891 -2.109 1.00 1.00 O ATOM 0 H SER A 5 10.807 7.421 -2.041 1.00 1.00 H new ATOM 0 HA SER A 5 11.689 6.005 -4.329 1.00 1.00 H new ATOM 0 HB2 SER A 5 13.664 7.491 -4.115 1.00 1.00 H new ATOM 0 HB3 SER A 5 12.222 8.418 -3.754 1.00 1.00 H new ATOM 0 HG SER A 5 14.209 8.371 -2.196 1.00 1.00 H new ATOM 86 N ASN A 6 12.737 4.820 -1.547 1.00 1.00 N ATOM 87 CA ASN A 6 13.566 3.786 -0.918 1.00 1.00 C ATOM 88 C ASN A 6 12.799 2.488 -0.727 1.00 1.00 C ATOM 89 O ASN A 6 13.137 1.690 0.148 1.00 1.00 O ATOM 90 CB ASN A 6 14.052 4.287 0.439 1.00 1.00 C ATOM 91 CG ASN A 6 12.862 4.590 1.343 1.00 1.00 C ATOM 92 OD1 ASN A 6 12.543 3.809 2.238 1.00 1.00 O ATOM 93 ND2 ASN A 6 12.172 5.680 1.146 1.00 1.00 N ATOM 0 H ASN A 6 12.016 5.209 -0.939 1.00 1.00 H new ATOM 0 HA ASN A 6 14.411 3.585 -1.577 1.00 1.00 H new ATOM 0 HB2 ASN A 6 14.691 3.537 0.905 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.657 5.184 0.309 1.00 1.00 H new ATOM 0 HD21 ASN A 6 11.365 5.886 1.735 1.00 1.00 H new ATOM 0 HD22 ASN A 6 12.439 6.326 0.403 1.00 1.00 H new ATOM 100 N MET A 7 11.757 2.279 -1.520 1.00 1.00 N ATOM 101 CA MET A 7 10.964 1.059 -1.371 1.00 1.00 C ATOM 102 C MET A 7 10.148 0.735 -2.627 1.00 1.00 C ATOM 103 O MET A 7 9.880 1.610 -3.452 1.00 1.00 O ATOM 104 CB MET A 7 10.027 1.233 -0.183 1.00 1.00 C ATOM 105 CG MET A 7 9.214 2.509 -0.381 1.00 1.00 C ATOM 106 SD MET A 7 8.108 2.744 1.035 1.00 1.00 S ATOM 107 CE MET A 7 6.895 1.463 0.621 1.00 1.00 C ATOM 0 H MET A 7 11.445 2.915 -2.253 1.00 1.00 H new ATOM 0 HA MET A 7 11.649 0.226 -1.211 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.364 0.372 -0.096 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.599 1.290 0.743 1.00 1.00 H new ATOM 0 HG2 MET A 7 9.880 3.366 -0.482 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.635 2.445 -1.302 1.00 1.00 H new ATOM 0 HE1 MET A 7 5.897 1.901 0.599 1.00 1.00 H new ATOM 0 HE2 MET A 7 7.129 1.043 -0.357 1.00 1.00 H new ATOM 0 HE3 MET A 7 6.928 0.674 1.372 1.00 1.00 H new ATOM 117 N LYS A 8 9.739 -0.533 -2.741 1.00 1.00 N ATOM 118 CA LYS A 8 8.929 -1.001 -3.875 1.00 1.00 C ATOM 119 C LYS A 8 7.451 -1.022 -3.473 1.00 1.00 C ATOM 120 O LYS A 8 7.123 -1.103 -2.292 1.00 1.00 O ATOM 121 CB LYS A 8 9.387 -2.412 -4.301 1.00 1.00 C ATOM 122 CG LYS A 8 10.496 -2.326 -5.363 1.00 1.00 C ATOM 123 CD LYS A 8 11.772 -1.776 -4.727 1.00 1.00 C ATOM 124 CE LYS A 8 12.885 -1.734 -5.774 1.00 1.00 C ATOM 125 NZ LYS A 8 14.124 -1.176 -5.161 1.00 1.00 N ATOM 0 H LYS A 8 9.956 -1.259 -2.058 1.00 1.00 H new ATOM 0 HA LYS A 8 9.059 -0.323 -4.718 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.751 -2.960 -3.432 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.539 -2.971 -4.698 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.685 -3.312 -5.787 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.179 -1.682 -6.183 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.592 -0.776 -4.331 1.00 1.00 H new ATOM 0 HD3 LYS A 8 12.072 -2.402 -3.887 1.00 1.00 H new ATOM 0 HE2 LYS A 8 13.076 -2.736 -6.158 1.00 1.00 H new ATOM 0 HE3 LYS A 8 12.578 -1.121 -6.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 14.881 -1.147 -5.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 13.937 -0.213 -4.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 14.419 -1.778 -4.366 1.00 1.00 H new ATOM 139 N ILE A 9 6.563 -0.917 -4.462 1.00 1.00 N ATOM 140 CA ILE A 9 5.116 -0.896 -4.206 1.00 1.00 C ATOM 141 C ILE A 9 4.347 -1.837 -5.122 1.00 1.00 C ATOM 142 O ILE A 9 4.574 -1.880 -6.330 1.00 1.00 O ATOM 143 CB ILE A 9 4.602 0.536 -4.362 1.00 1.00 C ATOM 144 CG1 ILE A 9 5.138 1.419 -3.216 1.00 1.00 C ATOM 145 CG2 ILE A 9 3.067 0.574 -4.403 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.579 0.957 -1.855 1.00 1.00 C ATOM 0 H ILE A 9 6.816 -0.845 -5.447 1.00 1.00 H new ATOM 0 HA ILE A 9 4.950 -1.248 -3.188 1.00 1.00 H new ATOM 0 HB ILE A 9 4.968 0.929 -5.310 1.00 1.00 H new ATOM 0 HG12 ILE A 9 6.227 1.377 -3.199 1.00 1.00 H new ATOM 0 HG13 ILE A 9 4.861 2.458 -3.393 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.731 1.605 -4.514 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.711 -0.017 -5.247 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.668 0.161 -3.477 1.00 1.00 H new ATOM 0 HD11 ILE A 9 4.972 1.596 -1.064 1.00 1.00 H new ATOM 0 HD12 ILE A 9 3.491 1.023 -1.867 1.00 1.00 H new ATOM 0 HD13 ILE A 9 4.878 -0.075 -1.670 1.00 1.00 H new ATOM 158 N LEU A 10 3.419 -2.584 -4.520 1.00 1.00 N ATOM 159 CA LEU A 10 2.581 -3.528 -5.255 1.00 1.00 C ATOM 160 C LEU A 10 1.127 -3.090 -5.229 1.00 1.00 C ATOM 161 O LEU A 10 0.569 -2.802 -4.171 1.00 1.00 O ATOM 162 CB LEU A 10 2.675 -4.916 -4.614 1.00 1.00 C ATOM 163 CG LEU A 10 2.013 -5.994 -5.526 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.876 -7.261 -5.562 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.622 -6.358 -4.980 1.00 1.00 C ATOM 0 H LEU A 10 3.230 -2.551 -3.518 1.00 1.00 H new ATOM 0 HA LEU A 10 2.935 -3.559 -6.286 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.720 -5.172 -4.441 1.00 1.00 H new ATOM 0 HB3 LEU A 10 2.185 -4.906 -3.641 1.00 1.00 H new ATOM 0 HG LEU A 10 1.922 -5.586 -6.533 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.403 -8.006 -6.202 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.863 -7.018 -5.956 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.977 -7.661 -4.553 1.00 1.00 H new ATOM 0 HD21 LEU A 10 0.165 -7.111 -5.622 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.720 -6.753 -3.969 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.006 -5.467 -4.962 1.00 1.00 H new ATOM 177 N THR A 11 0.520 -3.062 -6.400 1.00 1.00 N ATOM 178 CA THR A 11 -0.884 -2.686 -6.525 1.00 1.00 C ATOM 179 C THR A 11 -1.717 -3.958 -6.548 1.00 1.00 C ATOM 180 O THR A 11 -1.384 -4.908 -7.254 1.00 1.00 O ATOM 181 CB THR A 11 -1.101 -1.896 -7.819 1.00 1.00 C ATOM 182 OG1 THR A 11 -0.440 -2.562 -8.887 1.00 1.00 O ATOM 183 CG2 THR A 11 -0.537 -0.482 -7.667 1.00 1.00 C ATOM 0 H THR A 11 0.974 -3.295 -7.283 1.00 1.00 H new ATOM 0 HA THR A 11 -1.180 -2.058 -5.685 1.00 1.00 H new ATOM 0 HB THR A 11 -2.168 -1.830 -8.030 1.00 1.00 H new ATOM 0 HG1 THR A 11 -0.457 -3.529 -8.730 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.695 0.074 -8.591 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.044 0.026 -6.847 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.531 -0.537 -7.455 1.00 1.00 H new ATOM 191 N LEU A 12 -2.777 -3.992 -5.748 1.00 1.00 N ATOM 192 CA LEU A 12 -3.621 -5.183 -5.665 1.00 1.00 C ATOM 193 C LEU A 12 -4.957 -4.942 -6.357 1.00 1.00 C ATOM 194 O LEU A 12 -5.693 -4.024 -5.995 1.00 1.00 O ATOM 195 CB LEU A 12 -3.874 -5.518 -4.196 1.00 1.00 C ATOM 196 CG LEU A 12 -4.491 -6.919 -4.075 1.00 1.00 C ATOM 197 CD1 LEU A 12 -3.438 -8.000 -4.418 1.00 1.00 C ATOM 198 CD2 LEU A 12 -5.006 -7.116 -2.643 1.00 1.00 C ATOM 0 H LEU A 12 -3.072 -3.218 -5.153 1.00 1.00 H new ATOM 0 HA LEU A 12 -3.111 -6.010 -6.159 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -2.939 -5.474 -3.638 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.542 -4.778 -3.756 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.319 -7.014 -4.777 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -3.889 -8.988 -4.328 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.085 -7.853 -5.439 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.597 -7.921 -3.729 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.446 -8.109 -2.548 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.177 -7.018 -1.942 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.761 -6.362 -2.421 1.00 1.00 H new ATOM 210 N GLY A 13 -5.268 -5.782 -7.344 1.00 1.00 N ATOM 211 CA GLY A 13 -6.527 -5.673 -8.084 1.00 1.00 C ATOM 212 C GLY A 13 -6.981 -4.220 -8.219 1.00 1.00 C ATOM 213 O GLY A 13 -6.219 -3.354 -8.654 1.00 1.00 O ATOM 0 H GLY A 13 -4.666 -6.546 -7.650 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -6.405 -6.109 -9.075 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.299 -6.249 -7.575 1.00 1.00 H new ATOM 217 N LYS A 14 -8.226 -3.965 -7.831 1.00 1.00 N ATOM 218 CA LYS A 14 -8.789 -2.618 -7.895 1.00 1.00 C ATOM 219 C LYS A 14 -8.377 -1.797 -6.676 1.00 1.00 C ATOM 220 O LYS A 14 -8.163 -2.337 -5.591 1.00 1.00 O ATOM 221 CB LYS A 14 -10.312 -2.690 -7.982 1.00 1.00 C ATOM 222 CG LYS A 14 -10.886 -1.277 -8.101 1.00 1.00 C ATOM 223 CD LYS A 14 -12.395 -1.353 -8.315 1.00 1.00 C ATOM 224 CE LYS A 14 -12.958 0.061 -8.457 1.00 1.00 C ATOM 225 NZ LYS A 14 -12.683 0.829 -7.211 1.00 1.00 N ATOM 0 H LYS A 14 -8.866 -4.672 -7.469 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.400 -2.128 -8.788 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.609 -3.288 -8.843 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.714 -3.184 -7.097 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.665 -0.707 -7.199 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -10.417 -0.752 -8.933 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -12.618 -1.937 -9.208 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.868 -1.862 -7.475 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -12.505 0.561 -9.313 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -14.031 0.020 -8.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -13.353 1.621 -7.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.793 0.204 -6.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -11.711 1.198 -7.238 1.00 1.00 H new ATOM 239 N LEU A 15 -8.269 -0.480 -6.866 1.00 1.00 N ATOM 240 CA LEU A 15 -7.879 0.429 -5.782 1.00 1.00 C ATOM 241 C LEU A 15 -8.704 1.721 -5.844 1.00 1.00 C ATOM 242 O LEU A 15 -9.437 1.950 -6.804 1.00 1.00 O ATOM 243 CB LEU A 15 -6.354 0.694 -5.855 1.00 1.00 C ATOM 244 CG LEU A 15 -6.005 1.913 -6.725 1.00 1.00 C ATOM 245 CD1 LEU A 15 -4.484 2.065 -6.785 1.00 1.00 C ATOM 246 CD2 LEU A 15 -6.527 1.725 -8.154 1.00 1.00 C ATOM 0 H LEU A 15 -8.445 -0.018 -7.758 1.00 1.00 H new ATOM 0 HA LEU A 15 -8.090 -0.031 -4.817 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.968 0.849 -4.848 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -5.855 -0.188 -6.256 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.467 2.797 -6.286 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.229 2.928 -7.400 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -4.093 2.209 -5.778 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -4.045 1.167 -7.220 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -6.270 2.598 -8.753 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -6.073 0.837 -8.593 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.610 1.606 -8.133 1.00 1.00 H new ATOM 258 N SER A 16 -8.601 2.541 -4.801 1.00 1.00 N ATOM 259 CA SER A 16 -9.364 3.785 -4.740 1.00 1.00 C ATOM 260 C SER A 16 -9.028 4.720 -5.902 1.00 1.00 C ATOM 261 O SER A 16 -9.925 5.321 -6.493 1.00 1.00 O ATOM 262 CB SER A 16 -9.106 4.488 -3.407 1.00 1.00 C ATOM 263 OG SER A 16 -9.607 3.675 -2.354 1.00 1.00 O ATOM 0 H SER A 16 -8.002 2.369 -3.993 1.00 1.00 H new ATOM 0 HA SER A 16 -10.421 3.530 -4.821 1.00 1.00 H new ATOM 0 HB2 SER A 16 -8.038 4.663 -3.273 1.00 1.00 H new ATOM 0 HB3 SER A 16 -9.593 5.463 -3.395 1.00 1.00 H new ATOM 0 HG SER A 16 -9.445 4.117 -1.494 1.00 1.00 H new ATOM 269 N GLN A 17 -7.748 4.843 -6.236 1.00 1.00 N ATOM 270 CA GLN A 17 -7.355 5.713 -7.345 1.00 1.00 C ATOM 271 C GLN A 17 -8.050 5.262 -8.624 1.00 1.00 C ATOM 272 O GLN A 17 -9.093 4.609 -8.591 1.00 1.00 O ATOM 273 CB GLN A 17 -5.842 5.668 -7.602 1.00 1.00 C ATOM 274 CG GLN A 17 -5.044 5.713 -6.311 1.00 1.00 C ATOM 275 CD GLN A 17 -5.169 7.060 -5.622 1.00 1.00 C ATOM 276 OE1 GLN A 17 -5.665 8.025 -6.202 1.00 1.00 O ATOM 277 NE2 GLN A 17 -4.705 7.177 -4.411 1.00 1.00 N ATOM 0 H GLN A 17 -6.978 4.364 -5.769 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.643 6.728 -7.070 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -5.594 4.759 -8.150 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -5.557 6.509 -8.234 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.392 4.927 -5.640 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -3.995 5.509 -6.524 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -4.296 6.369 -3.941 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -4.750 8.076 -3.932 1.00 1.00 H new ATOM 286 N ASN A 18 -7.439 5.608 -9.755 1.00 1.00 N ATOM 287 CA ASN A 18 -7.968 5.233 -11.070 1.00 1.00 C ATOM 288 C ASN A 18 -7.055 4.190 -11.716 1.00 1.00 C ATOM 289 O ASN A 18 -7.359 2.997 -11.711 1.00 1.00 O ATOM 290 CB ASN A 18 -8.054 6.471 -11.961 1.00 1.00 C ATOM 291 CG ASN A 18 -8.810 7.569 -11.223 1.00 1.00 C ATOM 292 OD1 ASN A 18 -9.983 7.819 -11.502 1.00 1.00 O ATOM 293 ND2 ASN A 18 -8.205 8.232 -10.273 1.00 1.00 N ATOM 0 H ASN A 18 -6.575 6.149 -9.790 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.965 4.808 -10.950 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -7.054 6.815 -12.223 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -8.562 6.227 -12.894 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -8.705 8.959 -9.760 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -7.233 8.023 -10.044 1.00 1.00 H new ATOM 300 N LYS A 19 -5.933 4.654 -12.264 1.00 1.00 N ATOM 301 CA LYS A 19 -4.966 3.766 -12.905 1.00 1.00 C ATOM 302 C LYS A 19 -3.773 4.565 -13.421 1.00 1.00 C ATOM 303 O LYS A 19 -2.626 4.186 -13.209 1.00 1.00 O ATOM 304 CB LYS A 19 -5.610 2.999 -14.066 1.00 1.00 C ATOM 305 CG LYS A 19 -6.483 3.943 -14.908 1.00 1.00 C ATOM 306 CD LYS A 19 -7.023 3.206 -16.142 1.00 1.00 C ATOM 307 CE LYS A 19 -5.945 3.152 -17.236 1.00 1.00 C ATOM 308 NZ LYS A 19 -6.534 2.577 -18.478 1.00 1.00 N ATOM 0 H LYS A 19 -5.672 5.640 -12.277 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.625 3.049 -12.159 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -4.836 2.554 -14.691 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -6.216 2.180 -13.678 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -7.312 4.317 -14.307 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -5.899 4.809 -15.219 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -7.326 2.195 -15.868 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -7.911 3.714 -16.519 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -5.559 4.152 -17.432 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -5.103 2.545 -16.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -5.808 2.539 -19.221 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -6.882 1.616 -18.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -7.324 3.174 -18.796 1.00 1.00 H new ATOM 322 N ASP A 20 -4.045 5.676 -14.090 1.00 1.00 N ATOM 323 CA ASP A 20 -2.977 6.517 -14.613 1.00 1.00 C ATOM 324 C ASP A 20 -2.580 7.533 -13.554 1.00 1.00 C ATOM 325 O ASP A 20 -1.480 8.087 -13.580 1.00 1.00 O ATOM 326 CB ASP A 20 -3.437 7.244 -15.875 1.00 1.00 C ATOM 327 CG ASP A 20 -2.302 8.108 -16.412 1.00 1.00 C ATOM 328 OD1 ASP A 20 -1.258 7.556 -16.717 1.00 1.00 O ATOM 329 OD2 ASP A 20 -2.494 9.309 -16.514 1.00 1.00 O ATOM 0 H ASP A 20 -4.988 6.015 -14.283 1.00 1.00 H new ATOM 0 HA ASP A 20 -2.122 5.890 -14.867 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.746 6.522 -16.630 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -4.305 7.864 -15.653 1.00 1.00 H new ATOM 334 N GLU A 21 -3.503 7.768 -12.627 1.00 1.00 N ATOM 335 CA GLU A 21 -3.287 8.717 -11.545 1.00 1.00 C ATOM 336 C GLU A 21 -2.604 8.044 -10.363 1.00 1.00 C ATOM 337 O GLU A 21 -2.180 8.713 -9.427 1.00 1.00 O ATOM 338 CB GLU A 21 -4.630 9.290 -11.084 1.00 1.00 C ATOM 339 CG GLU A 21 -5.271 10.103 -12.215 1.00 1.00 C ATOM 340 CD GLU A 21 -4.403 11.309 -12.563 1.00 1.00 C ATOM 341 OE1 GLU A 21 -3.592 11.688 -11.733 1.00 1.00 O ATOM 342 OE2 GLU A 21 -4.567 11.838 -13.649 1.00 1.00 O ATOM 0 H GLU A 21 -4.414 7.309 -12.606 1.00 1.00 H new ATOM 0 HA GLU A 21 -2.646 9.517 -11.916 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -5.296 8.481 -10.784 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.483 9.923 -10.209 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -5.400 9.474 -13.096 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -6.264 10.437 -11.914 1.00 1.00 H new ATOM 349 N ALA A 22 -2.513 6.714 -10.404 1.00 1.00 N ATOM 350 CA ALA A 22 -1.884 5.963 -9.316 1.00 1.00 C ATOM 351 C ALA A 22 -0.407 5.719 -9.611 1.00 1.00 C ATOM 352 O ALA A 22 0.464 6.158 -8.867 1.00 1.00 O ATOM 353 CB ALA A 22 -2.599 4.618 -9.135 1.00 1.00 C ATOM 0 H ALA A 22 -2.863 6.139 -11.170 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.965 6.549 -8.400 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -2.128 4.062 -8.324 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -3.648 4.793 -8.894 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.530 4.042 -10.058 1.00 1.00 H new ATOM 359 N LYS A 23 -0.148 5.006 -10.697 1.00 1.00 N ATOM 360 CA LYS A 23 1.215 4.681 -11.095 1.00 1.00 C ATOM 361 C LYS A 23 2.024 5.941 -11.390 1.00 1.00 C ATOM 362 O LYS A 23 3.198 6.022 -11.031 1.00 1.00 O ATOM 363 CB LYS A 23 1.179 3.770 -12.333 1.00 1.00 C ATOM 364 CG LYS A 23 0.713 2.331 -11.955 1.00 1.00 C ATOM 365 CD LYS A 23 -0.740 2.103 -12.381 1.00 1.00 C ATOM 366 CE LYS A 23 -1.178 0.689 -11.994 1.00 1.00 C ATOM 367 NZ LYS A 23 -0.305 -0.315 -12.667 1.00 1.00 N ATOM 0 H LYS A 23 -0.867 4.640 -11.321 1.00 1.00 H new ATOM 0 HA LYS A 23 1.703 4.162 -10.270 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.504 4.190 -13.079 1.00 1.00 H new ATOM 0 HB3 LYS A 23 2.169 3.728 -12.787 1.00 1.00 H new ATOM 0 HG2 LYS A 23 1.358 1.596 -12.437 1.00 1.00 H new ATOM 0 HG3 LYS A 23 0.809 2.183 -10.879 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.388 2.838 -11.903 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -0.839 2.242 -13.457 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -1.123 0.565 -10.912 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -2.218 0.530 -12.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -0.886 -1.108 -13.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 0.178 0.130 -13.474 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.403 -0.668 -11.992 1.00 1.00 H new ATOM 381 N ALA A 24 1.406 6.917 -12.043 1.00 1.00 N ATOM 382 CA ALA A 24 2.108 8.153 -12.367 1.00 1.00 C ATOM 383 C ALA A 24 2.553 8.886 -11.100 1.00 1.00 C ATOM 384 O ALA A 24 3.681 9.372 -11.020 1.00 1.00 O ATOM 385 CB ALA A 24 1.193 9.060 -13.192 1.00 1.00 C ATOM 0 H ALA A 24 0.436 6.879 -12.355 1.00 1.00 H new ATOM 0 HA ALA A 24 2.998 7.900 -12.944 1.00 1.00 H new ATOM 0 HB1 ALA A 24 1.718 9.984 -13.434 1.00 1.00 H new ATOM 0 HB2 ALA A 24 0.911 8.551 -14.114 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.297 9.292 -12.617 1.00 1.00 H new ATOM 391 N MET A 25 1.659 8.969 -10.117 1.00 1.00 N ATOM 392 CA MET A 25 1.967 9.648 -8.858 1.00 1.00 C ATOM 393 C MET A 25 3.020 8.883 -8.052 1.00 1.00 C ATOM 394 O MET A 25 3.897 9.492 -7.451 1.00 1.00 O ATOM 395 CB MET A 25 0.646 9.890 -8.067 1.00 1.00 C ATOM 396 CG MET A 25 0.641 9.228 -6.675 1.00 1.00 C ATOM 397 SD MET A 25 1.762 10.118 -5.564 1.00 1.00 S ATOM 398 CE MET A 25 0.506 11.138 -4.747 1.00 1.00 C ATOM 0 H MET A 25 0.719 8.577 -10.166 1.00 1.00 H new ATOM 0 HA MET A 25 2.412 10.621 -9.067 1.00 1.00 H new ATOM 0 HB2 MET A 25 0.490 10.963 -7.952 1.00 1.00 H new ATOM 0 HB3 MET A 25 -0.193 9.506 -8.648 1.00 1.00 H new ATOM 0 HG2 MET A 25 -0.369 9.231 -6.265 1.00 1.00 H new ATOM 0 HG3 MET A 25 0.949 8.186 -6.757 1.00 1.00 H new ATOM 0 HE1 MET A 25 0.984 11.779 -4.006 1.00 1.00 H new ATOM 0 HE2 MET A 25 -0.000 11.756 -5.489 1.00 1.00 H new ATOM 0 HE3 MET A 25 -0.222 10.494 -4.254 1.00 1.00 H new ATOM 408 N ILE A 26 2.919 7.555 -8.045 1.00 1.00 N ATOM 409 CA ILE A 26 3.860 6.717 -7.301 1.00 1.00 C ATOM 410 C ILE A 26 5.280 6.874 -7.839 1.00 1.00 C ATOM 411 O ILE A 26 6.234 6.992 -7.071 1.00 1.00 O ATOM 412 CB ILE A 26 3.395 5.263 -7.411 1.00 1.00 C ATOM 413 CG1 ILE A 26 2.093 5.104 -6.616 1.00 1.00 C ATOM 414 CG2 ILE A 26 4.457 4.319 -6.836 1.00 1.00 C ATOM 415 CD1 ILE A 26 1.379 3.828 -7.035 1.00 1.00 C ATOM 0 H ILE A 26 2.197 7.036 -8.545 1.00 1.00 H new ATOM 0 HA ILE A 26 3.879 7.025 -6.255 1.00 1.00 H new ATOM 0 HB ILE A 26 3.234 5.013 -8.460 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.311 5.075 -5.548 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.446 5.965 -6.786 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.112 3.288 -6.921 1.00 1.00 H new ATOM 0 HG22 ILE A 26 5.388 4.437 -7.391 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.627 4.559 -5.786 1.00 1.00 H new ATOM 0 HD11 ILE A 26 0.456 3.724 -6.465 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.146 3.874 -8.099 1.00 1.00 H new ATOM 0 HD13 ILE A 26 2.023 2.970 -6.842 1.00 1.00 H new ATOM 427 N GLU A 27 5.413 6.887 -9.159 1.00 1.00 N ATOM 428 CA GLU A 27 6.721 7.047 -9.785 1.00 1.00 C ATOM 429 C GLU A 27 7.267 8.451 -9.526 1.00 1.00 C ATOM 430 O GLU A 27 8.477 8.654 -9.436 1.00 1.00 O ATOM 431 CB GLU A 27 6.612 6.805 -11.291 1.00 1.00 C ATOM 432 CG GLU A 27 6.283 5.333 -11.549 1.00 1.00 C ATOM 433 CD GLU A 27 6.081 5.099 -13.042 1.00 1.00 C ATOM 434 OE1 GLU A 27 6.270 6.035 -13.800 1.00 1.00 O ATOM 435 OE2 GLU A 27 5.761 3.979 -13.407 1.00 1.00 O ATOM 0 H GLU A 27 4.637 6.789 -9.814 1.00 1.00 H new ATOM 0 HA GLU A 27 7.406 6.318 -9.352 1.00 1.00 H new ATOM 0 HB2 GLU A 27 5.837 7.442 -11.717 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.548 7.071 -11.781 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.090 4.701 -11.179 1.00 1.00 H new ATOM 0 HG3 GLU A 27 5.382 5.052 -11.003 1.00 1.00 H new ATOM 442 N LYS A 28 6.361 9.417 -9.421 1.00 1.00 N ATOM 443 CA LYS A 28 6.749 10.807 -9.188 1.00 1.00 C ATOM 444 C LYS A 28 7.519 10.952 -7.874 1.00 1.00 C ATOM 445 O LYS A 28 8.532 11.648 -7.815 1.00 1.00 O ATOM 446 CB LYS A 28 5.491 11.684 -9.145 1.00 1.00 C ATOM 447 CG LYS A 28 5.866 13.155 -9.387 1.00 1.00 C ATOM 448 CD LYS A 28 4.588 14.021 -9.526 1.00 1.00 C ATOM 449 CE LYS A 28 4.291 14.298 -11.006 1.00 1.00 C ATOM 450 NZ LYS A 28 5.413 15.081 -11.595 1.00 1.00 N ATOM 0 H LYS A 28 5.355 9.266 -9.493 1.00 1.00 H new ATOM 0 HA LYS A 28 7.400 11.125 -10.002 1.00 1.00 H new ATOM 0 HB2 LYS A 28 4.781 11.352 -9.902 1.00 1.00 H new ATOM 0 HB3 LYS A 28 4.998 11.580 -8.178 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.474 13.523 -8.561 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.470 13.239 -10.290 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.742 13.509 -9.068 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.718 14.962 -8.992 1.00 1.00 H new ATOM 0 HE2 LYS A 28 4.165 13.359 -11.545 1.00 1.00 H new ATOM 0 HE3 LYS A 28 3.356 14.850 -11.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 5.045 15.711 -12.336 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.868 15.649 -10.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.111 14.430 -12.009 1.00 1.00 H new ATOM 464 N LEU A 29 7.032 10.298 -6.827 1.00 1.00 N ATOM 465 CA LEU A 29 7.692 10.370 -5.524 1.00 1.00 C ATOM 466 C LEU A 29 9.077 9.759 -5.633 1.00 1.00 C ATOM 467 O LEU A 29 10.056 10.231 -5.056 1.00 1.00 O ATOM 468 CB LEU A 29 6.920 9.531 -4.500 1.00 1.00 C ATOM 469 CG LEU A 29 5.443 9.880 -4.530 1.00 1.00 C ATOM 470 CD1 LEU A 29 4.705 9.068 -3.463 1.00 1.00 C ATOM 471 CD2 LEU A 29 5.253 11.375 -4.285 1.00 1.00 C ATOM 0 H LEU A 29 6.193 9.718 -6.850 1.00 1.00 H new ATOM 0 HA LEU A 29 7.736 11.415 -5.216 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.053 8.471 -4.715 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.321 9.706 -3.502 1.00 1.00 H new ATOM 0 HG LEU A 29 5.034 9.636 -5.510 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.644 9.318 -3.484 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.831 8.004 -3.664 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.114 9.303 -2.480 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.190 11.615 -4.308 1.00 1.00 H new ATOM 0 HD22 LEU A 29 5.663 11.639 -3.310 1.00 1.00 H new ATOM 0 HD23 LEU A 29 5.770 11.939 -5.061 1.00 1.00 H new ATOM 483 N GLY A 30 9.103 8.661 -6.360 1.00 1.00 N ATOM 484 CA GLY A 30 10.305 7.875 -6.562 1.00 1.00 C ATOM 485 C GLY A 30 9.945 6.414 -6.395 1.00 1.00 C ATOM 486 O GLY A 30 10.780 5.525 -6.564 1.00 1.00 O ATOM 0 H GLY A 30 8.282 8.284 -6.833 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.715 8.055 -7.556 1.00 1.00 H new ATOM 0 HA3 GLY A 30 11.073 8.162 -5.844 1.00 1.00 H new ATOM 490 N GLY A 31 8.677 6.180 -6.056 1.00 1.00 N ATOM 491 CA GLY A 31 8.188 4.832 -5.856 1.00 1.00 C ATOM 492 C GLY A 31 8.327 3.999 -7.119 1.00 1.00 C ATOM 493 O GLY A 31 8.387 4.526 -8.229 1.00 1.00 O ATOM 0 H GLY A 31 7.978 6.910 -5.916 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.741 4.360 -5.044 1.00 1.00 H new ATOM 0 HA3 GLY A 31 7.142 4.864 -5.553 1.00 1.00 H new ATOM 497 N LYS A 32 8.364 2.682 -6.935 1.00 1.00 N ATOM 498 CA LYS A 32 8.479 1.750 -8.053 1.00 1.00 C ATOM 499 C LYS A 32 7.487 0.606 -7.934 1.00 1.00 C ATOM 500 O LYS A 32 6.991 0.281 -6.855 1.00 1.00 O ATOM 501 CB LYS A 32 9.910 1.174 -8.206 1.00 1.00 C ATOM 502 CG LYS A 32 10.634 1.876 -9.357 1.00 1.00 C ATOM 503 CD LYS A 32 12.043 1.315 -9.503 1.00 1.00 C ATOM 504 CE LYS A 32 12.675 1.921 -10.749 1.00 1.00 C ATOM 505 NZ LYS A 32 14.022 1.320 -10.964 1.00 1.00 N ATOM 0 H LYS A 32 8.316 2.235 -6.019 1.00 1.00 H new ATOM 0 HA LYS A 32 8.250 2.332 -8.945 1.00 1.00 H new ATOM 0 HB2 LYS A 32 10.467 1.309 -7.279 1.00 1.00 H new ATOM 0 HB3 LYS A 32 9.861 0.102 -8.396 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.080 1.737 -10.285 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.678 2.949 -9.170 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.639 1.552 -8.622 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.012 0.228 -9.584 1.00 1.00 H new ATOM 0 HE2 LYS A 32 12.041 1.739 -11.617 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.761 3.002 -10.638 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 14.455 1.733 -11.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 14.625 1.515 -10.139 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 13.928 0.292 -11.088 1.00 1.00 H new ATOM 519 N LEU A 33 7.214 0.007 -9.085 1.00 1.00 N ATOM 520 CA LEU A 33 6.288 -1.116 -9.176 1.00 1.00 C ATOM 521 C LEU A 33 7.031 -2.376 -9.598 1.00 1.00 C ATOM 522 O LEU A 33 7.767 -2.364 -10.585 1.00 1.00 O ATOM 523 CB LEU A 33 5.215 -0.811 -10.221 1.00 1.00 C ATOM 524 CG LEU A 33 4.480 0.485 -9.866 1.00 1.00 C ATOM 525 CD1 LEU A 33 3.476 0.806 -10.971 1.00 1.00 C ATOM 526 CD2 LEU A 33 3.735 0.324 -8.528 1.00 1.00 C ATOM 0 H LEU A 33 7.625 0.283 -9.977 1.00 1.00 H new ATOM 0 HA LEU A 33 5.830 -1.270 -8.199 1.00 1.00 H new ATOM 0 HB2 LEU A 33 5.673 -0.719 -11.206 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.505 -1.636 -10.275 1.00 1.00 H new ATOM 0 HG LEU A 33 5.203 1.295 -9.771 1.00 1.00 H new ATOM 0 HD11 LEU A 33 2.948 1.728 -10.726 1.00 1.00 H new ATOM 0 HD12 LEU A 33 4.003 0.930 -11.917 1.00 1.00 H new ATOM 0 HD13 LEU A 33 2.759 -0.010 -11.060 1.00 1.00 H new ATOM 0 HD21 LEU A 33 3.216 1.252 -8.286 1.00 1.00 H new ATOM 0 HD22 LEU A 33 3.010 -0.486 -8.610 1.00 1.00 H new ATOM 0 HD23 LEU A 33 4.450 0.092 -7.739 1.00 1.00 H new ATOM 538 N THR A 34 6.824 -3.467 -8.859 1.00 1.00 N ATOM 539 CA THR A 34 7.474 -4.743 -9.183 1.00 1.00 C ATOM 540 C THR A 34 6.447 -5.872 -9.202 1.00 1.00 C ATOM 541 O THR A 34 5.369 -5.754 -8.619 1.00 1.00 O ATOM 542 CB THR A 34 8.574 -5.059 -8.168 1.00 1.00 C ATOM 543 OG1 THR A 34 9.301 -6.193 -8.613 1.00 1.00 O ATOM 544 CG2 THR A 34 7.958 -5.346 -6.798 1.00 1.00 C ATOM 0 H THR A 34 6.218 -3.496 -8.039 1.00 1.00 H new ATOM 0 HA THR A 34 7.924 -4.655 -10.172 1.00 1.00 H new ATOM 0 HB THR A 34 9.243 -4.203 -8.079 1.00 1.00 H new ATOM 0 HG1 THR A 34 10.242 -5.949 -8.740 1.00 1.00 H new ATOM 0 HG21 THR A 34 8.750 -5.570 -6.083 1.00 1.00 H new ATOM 0 HG22 THR A 34 7.400 -4.473 -6.460 1.00 1.00 H new ATOM 0 HG23 THR A 34 7.285 -6.200 -6.873 1.00 1.00 H new ATOM 552 N GLY A 35 6.781 -6.961 -9.896 1.00 1.00 N ATOM 553 CA GLY A 35 5.871 -8.103 -10.004 1.00 1.00 C ATOM 554 C GLY A 35 6.034 -9.060 -8.826 1.00 1.00 C ATOM 555 O GLY A 35 6.734 -8.756 -7.860 1.00 1.00 O ATOM 0 H GLY A 35 7.667 -7.077 -10.388 1.00 1.00 H new ATOM 0 HA2 GLY A 35 4.842 -7.747 -10.045 1.00 1.00 H new ATOM 0 HA3 GLY A 35 6.062 -8.635 -10.936 1.00 1.00 H new ATOM 559 N SER A 36 5.378 -10.215 -8.908 1.00 1.00 N ATOM 560 CA SER A 36 5.459 -11.202 -7.834 1.00 1.00 C ATOM 561 C SER A 36 4.920 -10.625 -6.527 1.00 1.00 C ATOM 562 O SER A 36 4.236 -9.600 -6.523 1.00 1.00 O ATOM 563 CB SER A 36 6.916 -11.648 -7.645 1.00 1.00 C ATOM 564 OG SER A 36 7.582 -11.615 -8.902 1.00 1.00 O ATOM 0 H SER A 36 4.791 -10.489 -9.696 1.00 1.00 H new ATOM 0 HA SER A 36 4.849 -12.063 -8.109 1.00 1.00 H new ATOM 0 HB2 SER A 36 7.420 -10.992 -6.935 1.00 1.00 H new ATOM 0 HB3 SER A 36 6.950 -12.655 -7.228 1.00 1.00 H new ATOM 0 HG SER A 36 8.513 -11.897 -8.786 1.00 1.00 H new ATOM 570 N ALA A 37 5.242 -11.297 -5.421 1.00 1.00 N ATOM 571 CA ALA A 37 4.805 -10.866 -4.093 1.00 1.00 C ATOM 572 C ALA A 37 5.972 -10.966 -3.110 1.00 1.00 C ATOM 573 O ALA A 37 6.966 -11.636 -3.385 1.00 1.00 O ATOM 574 CB ALA A 37 3.632 -11.737 -3.616 1.00 1.00 C ATOM 0 H ALA A 37 5.807 -12.146 -5.419 1.00 1.00 H new ATOM 0 HA ALA A 37 4.471 -9.830 -4.144 1.00 1.00 H new ATOM 0 HB1 ALA A 37 3.314 -11.409 -2.627 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.801 -11.642 -4.315 1.00 1.00 H new ATOM 0 HB3 ALA A 37 3.948 -12.779 -3.568 1.00 1.00 H new ATOM 580 N ASN A 38 5.851 -10.267 -1.983 1.00 1.00 N ATOM 581 CA ASN A 38 6.899 -10.243 -0.964 1.00 1.00 C ATOM 582 C ASN A 38 8.100 -9.439 -1.447 1.00 1.00 C ATOM 583 O ASN A 38 8.848 -8.880 -0.646 1.00 1.00 O ATOM 584 CB ASN A 38 7.331 -11.662 -0.593 1.00 1.00 C ATOM 585 CG ASN A 38 8.070 -11.647 0.744 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.208 -12.109 0.830 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.484 -11.141 1.797 1.00 1.00 N ATOM 0 H ASN A 38 5.031 -9.706 -1.751 1.00 1.00 H new ATOM 0 HA ASN A 38 6.491 -9.762 -0.075 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.459 -12.312 -0.529 1.00 1.00 H new ATOM 0 HB3 ASN A 38 7.976 -12.070 -1.371 1.00 1.00 H new ATOM 0 HD21 ASN A 38 7.970 -11.128 2.694 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.541 -10.759 1.722 1.00 1.00 H new ATOM 594 N LYS A 39 8.256 -9.357 -2.762 1.00 1.00 N ATOM 595 CA LYS A 39 9.337 -8.585 -3.352 1.00 1.00 C ATOM 596 C LYS A 39 9.113 -7.111 -3.042 1.00 1.00 C ATOM 597 O LYS A 39 10.056 -6.343 -2.842 1.00 1.00 O ATOM 598 CB LYS A 39 9.367 -8.827 -4.856 1.00 1.00 C ATOM 599 CG LYS A 39 10.609 -8.178 -5.462 1.00 1.00 C ATOM 600 CD LYS A 39 10.671 -8.546 -6.938 1.00 1.00 C ATOM 601 CE LYS A 39 11.913 -7.928 -7.584 1.00 1.00 C ATOM 602 NZ LYS A 39 11.968 -8.320 -9.021 1.00 1.00 N ATOM 0 H LYS A 39 7.647 -9.816 -3.439 1.00 1.00 H new ATOM 0 HA LYS A 39 10.297 -8.891 -2.936 1.00 1.00 H new ATOM 0 HB2 LYS A 39 9.369 -9.898 -5.061 1.00 1.00 H new ATOM 0 HB3 LYS A 39 8.469 -8.416 -5.317 1.00 1.00 H new ATOM 0 HG2 LYS A 39 10.568 -7.095 -5.342 1.00 1.00 H new ATOM 0 HG3 LYS A 39 11.506 -8.522 -4.947 1.00 1.00 H new ATOM 0 HD2 LYS A 39 10.695 -9.630 -7.049 1.00 1.00 H new ATOM 0 HD3 LYS A 39 9.774 -8.193 -7.446 1.00 1.00 H new ATOM 0 HE2 LYS A 39 11.883 -6.842 -7.492 1.00 1.00 H new ATOM 0 HE3 LYS A 39 12.812 -8.266 -7.068 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 12.811 -7.901 -9.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 12.016 -9.356 -9.097 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 11.115 -7.976 -9.507 1.00 1.00 H new ATOM 616 N ALA A 40 7.837 -6.738 -3.003 1.00 1.00 N ATOM 617 CA ALA A 40 7.432 -5.366 -2.713 1.00 1.00 C ATOM 618 C ALA A 40 7.525 -5.086 -1.219 1.00 1.00 C ATOM 619 O ALA A 40 7.776 -5.998 -0.432 1.00 1.00 O ATOM 620 CB ALA A 40 5.998 -5.169 -3.176 1.00 1.00 C ATOM 0 H ALA A 40 7.058 -7.375 -3.171 1.00 1.00 H new ATOM 0 HA ALA A 40 8.096 -4.679 -3.237 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.684 -4.147 -2.964 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.933 -5.354 -4.248 1.00 1.00 H new ATOM 0 HB3 ALA A 40 5.346 -5.865 -2.648 1.00 1.00 H new ATOM 626 N SER A 41 7.316 -3.825 -0.813 1.00 1.00 N ATOM 627 CA SER A 41 7.383 -3.483 0.609 1.00 1.00 C ATOM 628 C SER A 41 5.982 -3.313 1.175 1.00 1.00 C ATOM 629 O SER A 41 5.536 -4.097 2.014 1.00 1.00 O ATOM 630 CB SER A 41 8.174 -2.193 0.801 1.00 1.00 C ATOM 631 OG SER A 41 7.597 -1.171 0.008 1.00 1.00 O ATOM 0 H SER A 41 7.104 -3.044 -1.434 1.00 1.00 H new ATOM 0 HA SER A 41 7.885 -4.293 1.138 1.00 1.00 H new ATOM 0 HB2 SER A 41 8.168 -1.902 1.851 1.00 1.00 H new ATOM 0 HB3 SER A 41 9.216 -2.345 0.518 1.00 1.00 H new ATOM 0 HG SER A 41 7.838 -1.311 -0.932 1.00 1.00 H new ATOM 637 N LEU A 42 5.290 -2.284 0.698 1.00 1.00 N ATOM 638 CA LEU A 42 3.928 -2.001 1.140 1.00 1.00 C ATOM 639 C LEU A 42 2.938 -2.137 -0.017 1.00 1.00 C ATOM 640 O LEU A 42 3.066 -1.484 -1.046 1.00 1.00 O ATOM 641 CB LEU A 42 3.861 -0.585 1.711 1.00 1.00 C ATOM 642 CG LEU A 42 4.765 -0.478 2.955 1.00 1.00 C ATOM 643 CD1 LEU A 42 4.770 0.974 3.454 1.00 1.00 C ATOM 644 CD2 LEU A 42 4.255 -1.411 4.068 1.00 1.00 C ATOM 0 H LEU A 42 5.651 -1.630 0.003 1.00 1.00 H new ATOM 0 HA LEU A 42 3.657 -2.723 1.910 1.00 1.00 H new ATOM 0 HB2 LEU A 42 4.178 0.136 0.957 1.00 1.00 H new ATOM 0 HB3 LEU A 42 2.833 -0.338 1.976 1.00 1.00 H new ATOM 0 HG LEU A 42 5.778 -0.777 2.688 1.00 1.00 H new ATOM 0 HD11 LEU A 42 5.408 1.054 4.334 1.00 1.00 H new ATOM 0 HD12 LEU A 42 5.151 1.627 2.669 1.00 1.00 H new ATOM 0 HD13 LEU A 42 3.755 1.273 3.714 1.00 1.00 H new ATOM 0 HD21 LEU A 42 4.903 -1.325 4.940 1.00 1.00 H new ATOM 0 HD22 LEU A 42 3.238 -1.129 4.342 1.00 1.00 H new ATOM 0 HD23 LEU A 42 4.262 -2.441 3.711 1.00 1.00 H new ATOM 656 N CYS A 43 1.952 -2.994 0.178 1.00 1.00 N ATOM 657 CA CYS A 43 0.912 -3.234 -0.824 1.00 1.00 C ATOM 658 C CYS A 43 -0.192 -2.192 -0.677 1.00 1.00 C ATOM 659 O CYS A 43 -0.517 -1.787 0.438 1.00 1.00 O ATOM 660 CB CYS A 43 0.318 -4.632 -0.632 1.00 1.00 C ATOM 661 SG CYS A 43 -1.173 -4.805 -1.642 1.00 1.00 S ATOM 0 H CYS A 43 1.844 -3.545 1.030 1.00 1.00 H new ATOM 0 HA CYS A 43 1.352 -3.162 -1.818 1.00 1.00 H new ATOM 0 HB2 CYS A 43 1.049 -5.390 -0.913 1.00 1.00 H new ATOM 0 HB3 CYS A 43 0.078 -4.795 0.419 1.00 1.00 H new ATOM 0 HG CYS A 43 -1.673 -5.994 -1.478 1.00 1.00 H new ATOM 667 N ILE A 44 -0.772 -1.755 -1.795 1.00 1.00 N ATOM 668 CA ILE A 44 -1.840 -0.752 -1.744 1.00 1.00 C ATOM 669 C ILE A 44 -3.214 -1.410 -1.792 1.00 1.00 C ATOM 670 O ILE A 44 -3.637 -1.935 -2.821 1.00 1.00 O ATOM 671 CB ILE A 44 -1.709 0.211 -2.926 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.357 0.949 -2.865 1.00 1.00 C ATOM 673 CG2 ILE A 44 -2.863 1.218 -2.921 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.222 1.761 -1.564 1.00 1.00 C ATOM 0 H ILE A 44 -0.527 -2.072 -2.733 1.00 1.00 H new ATOM 0 HA ILE A 44 -1.742 -0.207 -0.805 1.00 1.00 H new ATOM 0 HB ILE A 44 -1.752 -0.364 -3.851 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.457 0.227 -2.932 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.264 1.615 -3.723 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -2.757 1.897 -3.767 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -3.811 0.686 -2.999 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -2.843 1.789 -1.993 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.742 2.270 -1.551 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -1.023 2.499 -1.511 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.290 1.090 -0.708 1.00 1.00 H new ATOM 686 N SER A 45 -3.906 -1.348 -0.662 1.00 1.00 N ATOM 687 CA SER A 45 -5.251 -1.906 -0.546 1.00 1.00 C ATOM 688 C SER A 45 -5.977 -1.257 0.630 1.00 1.00 C ATOM 689 O SER A 45 -5.345 -0.867 1.612 1.00 1.00 O ATOM 690 CB SER A 45 -5.178 -3.421 -0.348 1.00 1.00 C ATOM 691 OG SER A 45 -4.892 -4.038 -1.593 1.00 1.00 O ATOM 0 H SER A 45 -3.557 -0.915 0.193 1.00 1.00 H new ATOM 0 HA SER A 45 -5.802 -1.701 -1.464 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.406 -3.668 0.381 1.00 1.00 H new ATOM 0 HB3 SER A 45 -6.122 -3.794 0.049 1.00 1.00 H new ATOM 0 HG SER A 45 -4.485 -3.382 -2.197 1.00 1.00 H new ATOM 697 N THR A 46 -7.303 -1.152 0.534 1.00 1.00 N ATOM 698 CA THR A 46 -8.099 -0.559 1.608 1.00 1.00 C ATOM 699 C THR A 46 -8.610 -1.648 2.540 1.00 1.00 C ATOM 700 O THR A 46 -8.584 -2.825 2.197 1.00 1.00 O ATOM 701 CB THR A 46 -9.283 0.210 1.016 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.301 -0.712 0.651 1.00 1.00 O ATOM 703 CG2 THR A 46 -8.826 0.984 -0.223 1.00 1.00 C ATOM 0 H THR A 46 -7.845 -1.467 -0.271 1.00 1.00 H new ATOM 0 HA THR A 46 -7.471 0.129 2.174 1.00 1.00 H new ATOM 0 HB THR A 46 -9.670 0.912 1.755 1.00 1.00 H new ATOM 0 HG1 THR A 46 -11.063 -0.225 0.273 1.00 1.00 H new ATOM 0 HG21 THR A 46 -9.671 1.531 -0.643 1.00 1.00 H new ATOM 0 HG22 THR A 46 -8.041 1.687 0.056 1.00 1.00 H new ATOM 0 HG23 THR A 46 -8.440 0.286 -0.966 1.00 1.00 H new ATOM 711 N LYS A 47 -9.076 -1.256 3.718 1.00 1.00 N ATOM 712 CA LYS A 47 -9.581 -2.225 4.679 1.00 1.00 C ATOM 713 C LYS A 47 -10.775 -2.967 4.096 1.00 1.00 C ATOM 714 O LYS A 47 -10.949 -4.159 4.339 1.00 1.00 O ATOM 715 CB LYS A 47 -10.005 -1.516 5.971 1.00 1.00 C ATOM 716 CG LYS A 47 -10.346 -2.537 7.070 1.00 1.00 C ATOM 717 CD LYS A 47 -9.048 -3.142 7.690 1.00 1.00 C ATOM 718 CE LYS A 47 -8.746 -2.550 9.089 1.00 1.00 C ATOM 719 NZ LYS A 47 -9.110 -3.544 10.138 1.00 1.00 N ATOM 0 H LYS A 47 -9.115 -0.285 4.028 1.00 1.00 H new ATOM 0 HA LYS A 47 -8.787 -2.937 4.903 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.202 -0.863 6.312 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -10.870 -0.883 5.776 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -10.936 -2.055 7.850 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -10.961 -3.335 6.653 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -9.153 -4.224 7.769 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.205 -2.951 7.025 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -7.689 -2.294 9.167 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -9.309 -1.628 9.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -8.907 -3.147 11.078 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -10.123 -3.768 10.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.554 -4.412 10.002 1.00 1.00 H new ATOM 733 N LYS A 48 -11.596 -2.256 3.335 1.00 1.00 N ATOM 734 CA LYS A 48 -12.774 -2.865 2.739 1.00 1.00 C ATOM 735 C LYS A 48 -12.352 -4.032 1.850 1.00 1.00 C ATOM 736 O LYS A 48 -12.995 -5.081 1.845 1.00 1.00 O ATOM 737 CB LYS A 48 -13.544 -1.818 1.920 1.00 1.00 C ATOM 738 CG LYS A 48 -14.842 -2.412 1.341 1.00 1.00 C ATOM 739 CD LYS A 48 -15.835 -2.740 2.467 1.00 1.00 C ATOM 740 CE LYS A 48 -17.230 -2.960 1.878 1.00 1.00 C ATOM 741 NZ LYS A 48 -17.230 -4.181 1.024 1.00 1.00 N ATOM 0 H LYS A 48 -11.469 -1.267 3.118 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.428 -3.240 3.527 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -13.782 -0.962 2.551 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -12.915 -1.451 1.109 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -15.293 -1.705 0.645 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -14.614 -3.315 0.775 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -15.511 -3.633 3.002 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -15.860 -1.926 3.191 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -17.961 -3.066 2.680 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -17.527 -2.093 1.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -18.204 -4.403 0.736 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -16.649 -4.013 0.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -16.837 -4.980 1.561 1.00 1.00 H new ATOM 755 N GLU A 49 -11.259 -3.841 1.115 1.00 1.00 N ATOM 756 CA GLU A 49 -10.739 -4.881 0.233 1.00 1.00 C ATOM 757 C GLU A 49 -10.267 -6.087 1.045 1.00 1.00 C ATOM 758 O GLU A 49 -10.457 -7.236 0.644 1.00 1.00 O ATOM 759 CB GLU A 49 -9.550 -4.338 -0.561 1.00 1.00 C ATOM 760 CG GLU A 49 -10.020 -3.267 -1.545 1.00 1.00 C ATOM 761 CD GLU A 49 -8.812 -2.651 -2.243 1.00 1.00 C ATOM 762 OE1 GLU A 49 -7.711 -3.106 -1.982 1.00 1.00 O ATOM 763 OE2 GLU A 49 -9.003 -1.727 -3.017 1.00 1.00 O ATOM 0 H GLU A 49 -10.717 -2.977 1.113 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.538 -5.186 -0.442 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.810 -3.918 0.120 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -9.062 -5.150 -1.101 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.694 -3.705 -2.281 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -10.581 -2.495 -1.018 1.00 1.00 H new ATOM 770 N VAL A 50 -9.638 -5.804 2.181 1.00 1.00 N ATOM 771 CA VAL A 50 -9.114 -6.853 3.057 1.00 1.00 C ATOM 772 C VAL A 50 -10.239 -7.725 3.604 1.00 1.00 C ATOM 773 O VAL A 50 -10.102 -8.937 3.677 1.00 1.00 O ATOM 774 CB VAL A 50 -8.355 -6.218 4.233 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.852 -7.291 5.208 1.00 1.00 C ATOM 776 CG2 VAL A 50 -7.148 -5.443 3.701 1.00 1.00 C ATOM 0 H VAL A 50 -9.477 -4.855 2.520 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.441 -7.477 2.469 1.00 1.00 H new ATOM 0 HB VAL A 50 -9.040 -5.552 4.758 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -7.319 -6.814 6.030 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.700 -7.851 5.602 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -7.179 -7.971 4.685 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.609 -4.992 4.534 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.486 -6.124 3.166 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.488 -4.660 3.023 1.00 1.00 H new ATOM 786 N GLU A 51 -11.330 -7.095 4.020 1.00 1.00 N ATOM 787 CA GLU A 51 -12.452 -7.813 4.611 1.00 1.00 C ATOM 788 C GLU A 51 -12.932 -8.938 3.711 1.00 1.00 C ATOM 789 O GLU A 51 -13.433 -9.958 4.181 1.00 1.00 O ATOM 790 CB GLU A 51 -13.599 -6.819 4.841 1.00 1.00 C ATOM 791 CG GLU A 51 -13.169 -5.749 5.868 1.00 1.00 C ATOM 792 CD GLU A 51 -13.476 -6.218 7.290 1.00 1.00 C ATOM 793 OE1 GLU A 51 -12.979 -7.265 7.671 1.00 1.00 O ATOM 794 OE2 GLU A 51 -14.203 -5.518 7.976 1.00 1.00 O ATOM 0 H GLU A 51 -11.462 -6.085 3.959 1.00 1.00 H new ATOM 0 HA GLU A 51 -12.127 -8.256 5.552 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.873 -6.343 3.900 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -14.482 -7.347 5.201 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -12.102 -5.548 5.767 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.690 -4.813 5.667 1.00 1.00 H new ATOM 801 N LYS A 52 -12.802 -8.727 2.420 1.00 1.00 N ATOM 802 CA LYS A 52 -13.253 -9.705 1.451 1.00 1.00 C ATOM 803 C LYS A 52 -12.456 -10.997 1.570 1.00 1.00 C ATOM 804 O LYS A 52 -13.000 -12.092 1.424 1.00 1.00 O ATOM 805 CB LYS A 52 -13.106 -9.121 0.059 1.00 1.00 C ATOM 806 CG LYS A 52 -13.684 -7.713 0.086 1.00 1.00 C ATOM 807 CD LYS A 52 -13.811 -7.184 -1.333 1.00 1.00 C ATOM 808 CE LYS A 52 -14.460 -5.801 -1.298 1.00 1.00 C ATOM 809 NZ LYS A 52 -14.614 -5.295 -2.691 1.00 1.00 N ATOM 0 H LYS A 52 -12.388 -7.887 2.015 1.00 1.00 H new ATOM 0 HA LYS A 52 -14.299 -9.943 1.643 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -12.057 -9.099 -0.238 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -13.631 -9.736 -0.672 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -14.660 -7.720 0.571 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -13.041 -7.057 0.673 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -12.828 -7.126 -1.801 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -14.412 -7.865 -1.935 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -15.433 -5.855 -0.809 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -13.847 -5.114 -0.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -15.056 -4.354 -2.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -13.679 -5.230 -3.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -15.215 -5.948 -3.233 1.00 1.00 H new ATOM 823 N MET A 53 -11.161 -10.858 1.806 1.00 1.00 N ATOM 824 CA MET A 53 -10.283 -12.020 1.920 1.00 1.00 C ATOM 825 C MET A 53 -10.380 -12.860 0.649 1.00 1.00 C ATOM 826 O MET A 53 -10.515 -14.083 0.704 1.00 1.00 O ATOM 827 CB MET A 53 -10.677 -12.875 3.138 1.00 1.00 C ATOM 828 CG MET A 53 -10.370 -12.121 4.438 1.00 1.00 C ATOM 829 SD MET A 53 -8.621 -12.336 4.850 1.00 1.00 S ATOM 830 CE MET A 53 -8.297 -10.659 5.448 1.00 1.00 C ATOM 0 H MET A 53 -10.693 -9.959 1.922 1.00 1.00 H new ATOM 0 HA MET A 53 -9.258 -11.674 2.053 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.739 -13.118 3.092 1.00 1.00 H new ATOM 0 HB3 MET A 53 -10.133 -13.819 3.120 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.601 -11.062 4.322 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.996 -12.497 5.247 1.00 1.00 H new ATOM 0 HE1 MET A 53 -7.468 -10.679 6.155 1.00 1.00 H new ATOM 0 HE2 MET A 53 -8.041 -10.016 4.606 1.00 1.00 H new ATOM 0 HE3 MET A 53 -9.187 -10.271 5.944 1.00 1.00 H new ATOM 840 N SER A 54 -10.312 -12.186 -0.496 1.00 1.00 N ATOM 841 CA SER A 54 -10.395 -12.863 -1.788 1.00 1.00 C ATOM 842 C SER A 54 -9.069 -13.534 -2.136 1.00 1.00 C ATOM 843 O SER A 54 -8.164 -13.608 -1.306 1.00 1.00 O ATOM 844 CB SER A 54 -10.762 -11.862 -2.884 1.00 1.00 C ATOM 845 OG SER A 54 -10.893 -12.560 -4.118 1.00 1.00 O ATOM 0 H SER A 54 -10.200 -11.174 -0.556 1.00 1.00 H new ATOM 0 HA SER A 54 -11.168 -13.628 -1.720 1.00 1.00 H new ATOM 0 HB2 SER A 54 -11.695 -11.356 -2.636 1.00 1.00 H new ATOM 0 HB3 SER A 54 -9.994 -11.093 -2.965 1.00 1.00 H new ATOM 0 HG SER A 54 -11.130 -11.928 -4.828 1.00 1.00 H new ATOM 851 N LYS A 55 -8.964 -14.025 -3.370 1.00 1.00 N ATOM 852 CA LYS A 55 -7.745 -14.689 -3.819 1.00 1.00 C ATOM 853 C LYS A 55 -6.573 -13.719 -3.768 1.00 1.00 C ATOM 854 O LYS A 55 -5.460 -14.090 -3.402 1.00 1.00 O ATOM 855 CB LYS A 55 -7.916 -15.200 -5.250 1.00 1.00 C ATOM 856 CG LYS A 55 -8.945 -16.331 -5.266 1.00 1.00 C ATOM 857 CD LYS A 55 -9.107 -16.862 -6.692 1.00 1.00 C ATOM 858 CE LYS A 55 -10.140 -17.991 -6.709 1.00 1.00 C ATOM 859 NZ LYS A 55 -10.247 -18.529 -8.094 1.00 1.00 N ATOM 0 H LYS A 55 -9.703 -13.975 -4.071 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.548 -15.533 -3.157 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.241 -14.389 -5.901 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -6.961 -15.556 -5.637 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -8.626 -17.135 -4.603 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -9.903 -15.969 -4.891 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -9.423 -16.057 -7.356 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -8.150 -17.226 -7.065 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -9.845 -18.782 -6.020 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -11.108 -17.620 -6.373 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -10.948 -19.297 -8.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -10.546 -17.770 -8.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -9.322 -18.896 -8.396 1.00 1.00 H new ATOM 873 N LYS A 56 -6.843 -12.480 -4.150 1.00 1.00 N ATOM 874 CA LYS A 56 -5.826 -11.438 -4.163 1.00 1.00 C ATOM 875 C LYS A 56 -5.288 -11.237 -2.750 1.00 1.00 C ATOM 876 O LYS A 56 -4.078 -11.134 -2.546 1.00 1.00 O ATOM 877 CB LYS A 56 -6.458 -10.137 -4.684 1.00 1.00 C ATOM 878 CG LYS A 56 -6.926 -10.294 -6.143 1.00 1.00 C ATOM 879 CD LYS A 56 -5.733 -10.294 -7.112 1.00 1.00 C ATOM 880 CE LYS A 56 -6.245 -10.359 -8.552 1.00 1.00 C ATOM 881 NZ LYS A 56 -6.840 -11.703 -8.807 1.00 1.00 N ATOM 0 H LYS A 56 -7.765 -12.170 -4.457 1.00 1.00 H new ATOM 0 HA LYS A 56 -5.000 -11.724 -4.814 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -7.305 -9.863 -4.055 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.734 -9.325 -4.616 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -7.485 -11.223 -6.250 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -7.606 -9.482 -6.399 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -5.134 -9.395 -6.968 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -5.084 -11.145 -6.907 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -6.990 -9.582 -8.720 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -5.428 -10.173 -9.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -6.971 -11.836 -9.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -6.204 -12.440 -8.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -7.761 -11.771 -8.329 1.00 1.00 H new ATOM 895 N MET A 57 -6.187 -11.229 -1.772 1.00 1.00 N ATOM 896 CA MET A 57 -5.784 -11.089 -0.378 1.00 1.00 C ATOM 897 C MET A 57 -4.897 -12.256 0.045 1.00 1.00 C ATOM 898 O MET A 57 -3.923 -12.078 0.776 1.00 1.00 O ATOM 899 CB MET A 57 -7.046 -11.022 0.526 1.00 1.00 C ATOM 900 CG MET A 57 -7.146 -9.671 1.254 1.00 1.00 C ATOM 901 SD MET A 57 -5.638 -9.369 2.223 1.00 1.00 S ATOM 902 CE MET A 57 -5.676 -10.876 3.227 1.00 1.00 C ATOM 0 H MET A 57 -7.193 -11.317 -1.917 1.00 1.00 H new ATOM 0 HA MET A 57 -5.212 -10.167 -0.269 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.938 -11.177 -0.081 1.00 1.00 H new ATOM 0 HB3 MET A 57 -7.014 -11.829 1.258 1.00 1.00 H new ATOM 0 HG2 MET A 57 -7.289 -8.869 0.530 1.00 1.00 H new ATOM 0 HG3 MET A 57 -8.016 -9.667 1.910 1.00 1.00 H new ATOM 0 HE1 MET A 57 -5.345 -10.647 4.240 1.00 1.00 H new ATOM 0 HE2 MET A 57 -6.693 -11.268 3.257 1.00 1.00 H new ATOM 0 HE3 MET A 57 -5.013 -11.622 2.789 1.00 1.00 H new ATOM 912 N GLU A 58 -5.247 -13.450 -0.405 1.00 1.00 N ATOM 913 CA GLU A 58 -4.481 -14.629 -0.037 1.00 1.00 C ATOM 914 C GLU A 58 -3.020 -14.487 -0.443 1.00 1.00 C ATOM 915 O GLU A 58 -2.131 -14.922 0.287 1.00 1.00 O ATOM 916 CB GLU A 58 -5.084 -15.882 -0.679 1.00 1.00 C ATOM 917 CG GLU A 58 -6.439 -16.176 -0.035 1.00 1.00 C ATOM 918 CD GLU A 58 -7.098 -17.364 -0.728 1.00 1.00 C ATOM 919 OE1 GLU A 58 -6.483 -17.914 -1.628 1.00 1.00 O ATOM 920 OE2 GLU A 58 -8.206 -17.706 -0.351 1.00 1.00 O ATOM 0 H GLU A 58 -6.044 -13.627 -1.016 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.525 -14.729 1.048 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.203 -15.734 -1.752 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.413 -16.731 -0.547 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -6.308 -16.390 1.026 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.083 -15.299 -0.106 1.00 1.00 H new ATOM 927 N GLU A 59 -2.765 -13.889 -1.601 1.00 1.00 N ATOM 928 CA GLU A 59 -1.389 -13.730 -2.048 1.00 1.00 C ATOM 929 C GLU A 59 -0.634 -12.752 -1.147 1.00 1.00 C ATOM 930 O GLU A 59 0.514 -12.998 -0.781 1.00 1.00 O ATOM 931 CB GLU A 59 -1.340 -13.214 -3.496 1.00 1.00 C ATOM 932 CG GLU A 59 -2.501 -13.796 -4.303 1.00 1.00 C ATOM 933 CD GLU A 59 -2.232 -13.635 -5.798 1.00 1.00 C ATOM 934 OE1 GLU A 59 -1.141 -13.212 -6.143 1.00 1.00 O ATOM 935 OE2 GLU A 59 -3.120 -13.940 -6.575 1.00 1.00 O ATOM 0 H GLU A 59 -3.473 -13.515 -2.232 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.914 -14.710 -1.997 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.392 -12.125 -3.504 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.392 -13.491 -3.957 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -2.631 -14.851 -4.060 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -3.429 -13.291 -4.036 1.00 1.00 H new ATOM 942 N VAL A 60 -1.277 -11.638 -0.813 1.00 1.00 N ATOM 943 CA VAL A 60 -0.646 -10.621 0.024 1.00 1.00 C ATOM 944 C VAL A 60 -0.335 -11.174 1.416 1.00 1.00 C ATOM 945 O VAL A 60 0.771 -11.011 1.930 1.00 1.00 O ATOM 946 CB VAL A 60 -1.589 -9.418 0.155 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.971 -8.362 1.077 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.835 -8.812 -1.228 1.00 1.00 C ATOM 0 H VAL A 60 -2.228 -11.416 -1.106 1.00 1.00 H new ATOM 0 HA VAL A 60 0.290 -10.317 -0.445 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.535 -9.750 0.583 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.649 -7.513 1.163 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.803 -8.794 2.064 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -0.021 -8.027 0.661 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.505 -7.957 -1.137 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.887 -8.486 -1.656 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -2.288 -9.560 -1.878 1.00 1.00 H new ATOM 958 N LYS A 61 -1.325 -11.828 2.015 1.00 1.00 N ATOM 959 CA LYS A 61 -1.164 -12.412 3.344 1.00 1.00 C ATOM 960 C LYS A 61 -0.136 -13.537 3.325 1.00 1.00 C ATOM 961 O LYS A 61 0.712 -13.635 4.212 1.00 1.00 O ATOM 962 CB LYS A 61 -2.505 -12.945 3.844 1.00 1.00 C ATOM 963 CG LYS A 61 -2.357 -13.458 5.282 1.00 1.00 C ATOM 964 CD LYS A 61 -3.730 -13.872 5.835 1.00 1.00 C ATOM 965 CE LYS A 61 -4.223 -15.143 5.131 1.00 1.00 C ATOM 966 NZ LYS A 61 -5.362 -15.730 5.890 1.00 1.00 N ATOM 0 H LYS A 61 -2.247 -11.967 1.602 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.808 -11.633 4.018 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -3.257 -12.157 3.805 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.852 -13.749 3.195 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -1.675 -14.308 5.306 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.921 -12.682 5.911 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.660 -14.046 6.909 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -4.448 -13.065 5.689 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -4.535 -14.908 4.113 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -3.412 -15.867 5.057 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -5.693 -16.591 5.409 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -5.051 -15.969 6.853 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -6.139 -15.040 5.938 1.00 1.00 H new ATOM 980 N ALA A 62 -0.216 -14.387 2.308 1.00 1.00 N ATOM 981 CA ALA A 62 0.716 -15.500 2.192 1.00 1.00 C ATOM 982 C ALA A 62 2.093 -15.005 1.769 1.00 1.00 C ATOM 983 O ALA A 62 3.081 -15.732 1.867 1.00 1.00 O ATOM 984 CB ALA A 62 0.191 -16.518 1.178 1.00 1.00 C ATOM 0 H ALA A 62 -0.908 -14.328 1.561 1.00 1.00 H new ATOM 0 HA ALA A 62 0.806 -15.980 3.167 1.00 1.00 H new ATOM 0 HB1 ALA A 62 0.894 -17.347 1.097 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.777 -16.894 1.508 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.082 -16.039 0.205 1.00 1.00 H new ATOM 990 N ALA A 63 2.155 -13.757 1.306 1.00 1.00 N ATOM 991 CA ALA A 63 3.423 -13.164 0.881 1.00 1.00 C ATOM 992 C ALA A 63 4.062 -12.406 2.037 1.00 1.00 C ATOM 993 O ALA A 63 5.194 -11.935 1.933 1.00 1.00 O ATOM 994 CB ALA A 63 3.199 -12.211 -0.292 1.00 1.00 C ATOM 0 H ALA A 63 1.348 -13.140 1.216 1.00 1.00 H new ATOM 0 HA ALA A 63 4.089 -13.967 0.565 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.152 -11.778 -0.596 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.766 -12.759 -1.129 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.519 -11.415 0.011 1.00 1.00 H new ATOM 1000 N ASN A 64 3.328 -12.288 3.141 1.00 1.00 N ATOM 1001 CA ASN A 64 3.832 -11.583 4.309 1.00 1.00 C ATOM 1002 C ASN A 64 4.189 -10.136 3.936 1.00 1.00 C ATOM 1003 O ASN A 64 5.286 -9.652 4.220 1.00 1.00 O ATOM 1004 CB ASN A 64 5.053 -12.349 4.883 1.00 1.00 C ATOM 1005 CG ASN A 64 4.868 -12.634 6.377 1.00 1.00 C ATOM 1006 OD1 ASN A 64 5.771 -12.398 7.176 1.00 1.00 O ATOM 1007 ND2 ASN A 64 3.742 -13.140 6.799 1.00 1.00 N ATOM 0 H ASN A 64 2.388 -12.670 3.248 1.00 1.00 H new ATOM 0 HA ASN A 64 3.064 -11.541 5.081 1.00 1.00 H new ATOM 0 HB2 ASN A 64 5.185 -13.287 4.344 1.00 1.00 H new ATOM 0 HB3 ASN A 64 5.959 -11.763 4.730 1.00 1.00 H new ATOM 0 HD21 ASN A 64 3.612 -13.339 7.791 1.00 1.00 H new ATOM 0 HD22 ASN A 64 2.991 -13.337 6.137 1.00 1.00 H new ATOM 1014 N VAL A 65 3.233 -9.449 3.305 1.00 1.00 N ATOM 1015 CA VAL A 65 3.415 -8.054 2.898 1.00 1.00 C ATOM 1016 C VAL A 65 2.392 -7.194 3.625 1.00 1.00 C ATOM 1017 O VAL A 65 1.195 -7.451 3.557 1.00 1.00 O ATOM 1018 CB VAL A 65 3.194 -7.946 1.388 1.00 1.00 C ATOM 1019 CG1 VAL A 65 3.120 -6.480 0.953 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.353 -8.629 0.674 1.00 1.00 C ATOM 0 H VAL A 65 2.322 -9.839 3.064 1.00 1.00 H new ATOM 0 HA VAL A 65 4.421 -7.715 3.145 1.00 1.00 H new ATOM 0 HB VAL A 65 2.251 -8.428 1.131 1.00 1.00 H new ATOM 0 HG11 VAL A 65 2.963 -6.428 -0.124 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.292 -5.990 1.465 1.00 1.00 H new ATOM 0 HG13 VAL A 65 4.053 -5.977 1.208 1.00 1.00 H new ATOM 0 HG21 VAL A 65 4.208 -8.559 -0.404 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.288 -8.139 0.947 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.394 -9.678 0.968 1.00 1.00 H new ATOM 1030 N ARG A 66 2.870 -6.173 4.312 1.00 1.00 N ATOM 1031 CA ARG A 66 1.981 -5.291 5.051 1.00 1.00 C ATOM 1032 C ARG A 66 1.063 -4.577 4.063 1.00 1.00 C ATOM 1033 O ARG A 66 1.386 -4.456 2.880 1.00 1.00 O ATOM 1034 CB ARG A 66 2.798 -4.283 5.864 1.00 1.00 C ATOM 1035 CG ARG A 66 1.886 -3.506 6.821 1.00 1.00 C ATOM 1036 CD ARG A 66 2.688 -2.415 7.529 1.00 1.00 C ATOM 1037 NE ARG A 66 3.740 -3.009 8.347 1.00 1.00 N ATOM 1038 CZ ARG A 66 3.505 -3.433 9.585 1.00 1.00 C ATOM 1039 NH1 ARG A 66 2.319 -3.301 10.113 1.00 1.00 N ATOM 1040 NH2 ARG A 66 4.472 -3.973 10.276 1.00 1.00 N ATOM 0 H ARG A 66 3.860 -5.934 4.375 1.00 1.00 H new ATOM 0 HA ARG A 66 1.375 -5.870 5.748 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.571 -4.803 6.430 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.306 -3.591 5.193 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.058 -3.061 6.268 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.451 -4.185 7.555 1.00 1.00 H new ATOM 0 HD2 ARG A 66 3.127 -1.742 6.793 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.026 -1.816 8.155 1.00 1.00 H new ATOM 0 HE ARG A 66 4.679 -3.101 7.959 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.566 -2.871 9.575 1.00 1.00 H new ATOM 0 HH12 ARG A 66 2.144 -3.628 11.063 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.401 -4.068 9.866 1.00 1.00 H new ATOM 0 HH22 ARG A 66 4.299 -4.300 11.226 1.00 1.00 H new ATOM 1054 N VAL A 67 -0.093 -4.123 4.537 1.00 1.00 N ATOM 1055 CA VAL A 67 -1.066 -3.452 3.670 1.00 1.00 C ATOM 1056 C VAL A 67 -1.279 -2.009 4.120 1.00 1.00 C ATOM 1057 O VAL A 67 -1.548 -1.746 5.291 1.00 1.00 O ATOM 1058 CB VAL A 67 -2.402 -4.199 3.760 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.492 -3.431 2.987 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -2.251 -5.646 3.213 1.00 1.00 C ATOM 0 H VAL A 67 -0.382 -4.205 5.512 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.690 -3.452 2.647 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.702 -4.262 4.806 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.437 -3.970 3.058 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.610 -2.436 3.416 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -3.202 -3.343 1.940 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -3.208 -6.163 3.284 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.934 -5.610 2.171 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.505 -6.181 3.801 1.00 1.00 H new ATOM 1070 N VAL A 68 -1.171 -1.079 3.174 1.00 1.00 N ATOM 1071 CA VAL A 68 -1.365 0.342 3.463 1.00 1.00 C ATOM 1072 C VAL A 68 -2.360 0.958 2.479 1.00 1.00 C ATOM 1073 O VAL A 68 -2.266 0.744 1.271 1.00 1.00 O ATOM 1074 CB VAL A 68 -0.017 1.065 3.388 1.00 1.00 C ATOM 1075 CG1 VAL A 68 -0.229 2.578 3.406 1.00 1.00 C ATOM 1076 CG2 VAL A 68 0.832 0.659 4.595 1.00 1.00 C ATOM 0 H VAL A 68 -0.950 -1.283 2.199 1.00 1.00 H new ATOM 0 HA VAL A 68 -1.774 0.451 4.468 1.00 1.00 H new ATOM 0 HB VAL A 68 0.489 0.789 2.463 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.736 3.081 3.352 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -0.839 2.870 2.551 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -0.736 2.863 4.328 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.794 1.169 4.551 1.00 1.00 H new ATOM 0 HG22 VAL A 68 0.315 0.938 5.513 1.00 1.00 H new ATOM 0 HG23 VAL A 68 0.992 -0.419 4.581 1.00 1.00 H new ATOM 1086 N CYS A 69 -3.309 1.728 3.006 1.00 1.00 N ATOM 1087 CA CYS A 69 -4.317 2.371 2.167 1.00 1.00 C ATOM 1088 C CYS A 69 -3.701 3.513 1.355 1.00 1.00 C ATOM 1089 O CYS A 69 -2.597 3.975 1.645 1.00 1.00 O ATOM 1090 CB CYS A 69 -5.460 2.902 3.045 1.00 1.00 C ATOM 1091 SG CYS A 69 -6.473 4.083 2.118 1.00 1.00 S ATOM 0 H CYS A 69 -3.401 1.921 4.003 1.00 1.00 H new ATOM 0 HA CYS A 69 -4.712 1.632 1.469 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -6.079 2.073 3.388 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -5.051 3.383 3.934 1.00 1.00 H new ATOM 0 HG CYS A 69 -7.435 4.519 2.876 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.425 3.933 0.322 1.00 1.00 N ATOM 1098 CA GLU A 70 -3.970 4.998 -0.570 1.00 1.00 C ATOM 1099 C GLU A 70 -3.734 6.309 0.182 1.00 1.00 C ATOM 1100 O GLU A 70 -2.773 7.024 -0.099 1.00 1.00 O ATOM 1101 CB GLU A 70 -5.029 5.243 -1.652 1.00 1.00 C ATOM 1102 CG GLU A 70 -5.185 3.992 -2.534 1.00 1.00 C ATOM 1103 CD GLU A 70 -6.134 2.984 -1.890 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -6.549 3.217 -0.768 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -6.415 1.983 -2.527 1.00 1.00 O ATOM 0 H GLU A 70 -5.338 3.549 0.079 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.026 4.677 -1.011 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.983 5.491 -1.188 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -4.742 6.097 -2.266 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -5.564 4.279 -3.515 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -4.210 3.530 -2.692 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.622 6.632 1.121 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.497 7.877 1.885 1.00 1.00 C ATOM 1114 C ASP A 71 -3.045 8.109 2.291 1.00 1.00 C ATOM 1115 O ASP A 71 -2.622 9.240 2.534 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.373 7.809 3.138 1.00 1.00 C ATOM 1117 CG ASP A 71 -6.846 7.884 2.745 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -7.120 8.321 1.639 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -7.676 7.503 3.552 1.00 1.00 O ATOM 0 H ASP A 71 -5.427 6.058 1.371 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.825 8.704 1.256 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -5.178 6.883 3.679 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -5.125 8.630 3.811 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.291 7.025 2.348 1.00 1.00 N ATOM 1125 CA PHE A 72 -0.881 7.084 2.706 1.00 1.00 C ATOM 1126 C PHE A 72 -0.100 7.933 1.709 1.00 1.00 C ATOM 1127 O PHE A 72 0.792 8.693 2.086 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.298 5.682 2.724 1.00 1.00 C ATOM 1129 CG PHE A 72 1.122 5.731 3.236 1.00 1.00 C ATOM 1130 CD1 PHE A 72 2.168 6.103 2.377 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.399 5.397 4.570 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.482 6.139 2.854 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.717 5.432 5.042 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.757 5.800 4.184 1.00 1.00 C ATOM 0 H PHE A 72 -2.634 6.085 2.149 1.00 1.00 H new ATOM 0 HA PHE A 72 -0.801 7.537 3.694 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -0.902 5.034 3.359 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.319 5.255 1.721 1.00 1.00 H new ATOM 0 HD1 PHE A 72 1.958 6.361 1.349 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.595 5.113 5.233 1.00 1.00 H new ATOM 0 HE1 PHE A 72 4.287 6.429 2.195 1.00 1.00 H new ATOM 0 HE2 PHE A 72 2.930 5.175 6.069 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.774 5.823 4.547 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.406 7.762 0.424 1.00 1.00 N ATOM 1145 CA LEU A 73 0.307 8.487 -0.616 1.00 1.00 C ATOM 1146 C LEU A 73 0.102 9.984 -0.414 1.00 1.00 C ATOM 1147 O LEU A 73 1.025 10.779 -0.582 1.00 1.00 O ATOM 1148 CB LEU A 73 -0.232 8.100 -2.003 1.00 1.00 C ATOM 1149 CG LEU A 73 0.057 6.622 -2.319 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.785 6.201 -3.535 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.558 6.383 -2.622 1.00 1.00 C ATOM 0 H LEU A 73 -1.135 7.134 0.085 1.00 1.00 H new ATOM 0 HA LEU A 73 1.366 8.235 -0.557 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.306 8.280 -2.042 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.225 8.733 -2.763 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.204 6.026 -1.445 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.589 5.155 -3.769 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.843 6.330 -3.307 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.521 6.820 -4.392 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.722 5.328 -2.840 1.00 1.00 H new ATOM 0 HD22 LEU A 73 1.855 6.982 -3.483 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.154 6.671 -1.756 1.00 1.00 H new ATOM 1163 N GLN A 74 -1.119 10.353 -0.055 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.455 11.750 0.172 1.00 1.00 C ATOM 1165 C GLN A 74 -0.682 12.299 1.371 1.00 1.00 C ATOM 1166 O GLN A 74 -0.253 13.453 1.374 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.952 11.877 0.446 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.731 11.228 -0.697 1.00 1.00 C ATOM 1169 CD GLN A 74 -3.442 11.950 -2.006 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -3.673 13.153 -2.121 1.00 1.00 O ATOM 1171 NE2 GLN A 74 -2.943 11.278 -3.005 1.00 1.00 N ATOM 0 H GLN A 74 -1.893 9.704 0.085 1.00 1.00 H new ATOM 0 HA GLN A 74 -1.187 12.320 -0.717 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.202 11.396 1.391 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -3.229 12.927 0.540 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.455 10.177 -0.784 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -4.799 11.261 -0.483 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -2.753 10.281 -2.905 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -2.742 11.749 -3.887 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.550 11.469 2.401 1.00 1.00 N ATOM 1181 CA ASP A 75 0.131 11.872 3.631 1.00 1.00 C ATOM 1182 C ASP A 75 1.604 12.199 3.404 1.00 1.00 C ATOM 1183 O ASP A 75 2.084 13.227 3.865 1.00 1.00 O ATOM 1184 CB ASP A 75 0.017 10.745 4.652 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.412 10.644 5.170 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.170 11.577 4.961 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -1.732 9.626 5.754 1.00 1.00 O ATOM 0 H ASP A 75 -0.905 10.513 2.410 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.351 12.780 3.994 1.00 1.00 H new ATOM 0 HB2 ASP A 75 0.313 9.800 4.196 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.700 10.926 5.482 1.00 1.00 H new ATOM 1192 N VAL A 76 2.324 11.333 2.701 1.00 1.00 N ATOM 1193 CA VAL A 76 3.736 11.597 2.448 1.00 1.00 C ATOM 1194 C VAL A 76 3.877 12.789 1.518 1.00 1.00 C ATOM 1195 O VAL A 76 4.773 13.619 1.680 1.00 1.00 O ATOM 1196 CB VAL A 76 4.430 10.377 1.831 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.493 9.235 2.849 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.660 9.919 0.594 1.00 1.00 C ATOM 0 H VAL A 76 1.966 10.464 2.305 1.00 1.00 H new ATOM 0 HA VAL A 76 4.215 11.814 3.402 1.00 1.00 H new ATOM 0 HB VAL A 76 5.445 10.654 1.546 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.988 8.374 2.400 1.00 1.00 H new ATOM 0 HG12 VAL A 76 5.054 9.559 3.725 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.482 8.958 3.148 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.155 9.052 0.157 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.642 9.651 0.878 1.00 1.00 H new ATOM 0 HG23 VAL A 76 3.632 10.727 -0.137 1.00 1.00 H new ATOM 1208 N SER A 77 2.983 12.861 0.541 1.00 1.00 N ATOM 1209 CA SER A 77 3.013 13.960 -0.422 1.00 1.00 C ATOM 1210 C SER A 77 2.766 15.297 0.267 1.00 1.00 C ATOM 1211 O SER A 77 3.422 16.294 -0.037 1.00 1.00 O ATOM 1212 CB SER A 77 1.955 13.742 -1.499 1.00 1.00 C ATOM 1213 OG SER A 77 0.677 13.663 -0.888 1.00 1.00 O ATOM 0 H SER A 77 2.236 12.182 0.393 1.00 1.00 H new ATOM 0 HA SER A 77 4.002 13.980 -0.879 1.00 1.00 H new ATOM 0 HB2 SER A 77 1.977 14.560 -2.219 1.00 1.00 H new ATOM 0 HB3 SER A 77 2.165 12.826 -2.051 1.00 1.00 H new ATOM 0 HG SER A 77 0.783 13.583 0.083 1.00 1.00 H new ATOM 1219 N ALA A 78 1.816 15.312 1.197 1.00 1.00 N ATOM 1220 CA ALA A 78 1.482 16.538 1.925 1.00 1.00 C ATOM 1221 C ALA A 78 2.280 16.645 3.216 1.00 1.00 C ATOM 1222 O ALA A 78 3.131 17.521 3.368 1.00 1.00 O ATOM 1223 CB ALA A 78 -0.008 16.549 2.265 1.00 1.00 C ATOM 0 H ALA A 78 1.265 14.496 1.465 1.00 1.00 H new ATOM 0 HA ALA A 78 1.730 17.385 1.285 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.251 17.463 2.807 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -0.591 16.506 1.345 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.246 15.685 2.886 1.00 1.00 H new ATOM 1229 N SER A 79 1.979 15.754 4.153 1.00 1.00 N ATOM 1230 CA SER A 79 2.647 15.752 5.451 1.00 1.00 C ATOM 1231 C SER A 79 4.103 15.311 5.329 1.00 1.00 C ATOM 1232 O SER A 79 4.443 14.463 4.504 1.00 1.00 O ATOM 1233 CB SER A 79 1.912 14.794 6.398 1.00 1.00 C ATOM 1234 OG SER A 79 2.379 13.472 6.170 1.00 1.00 O ATOM 0 H SER A 79 1.277 15.023 4.039 1.00 1.00 H new ATOM 0 HA SER A 79 2.628 16.769 5.843 1.00 1.00 H new ATOM 0 HB2 SER A 79 2.086 15.082 7.435 1.00 1.00 H new ATOM 0 HB3 SER A 79 0.837 14.848 6.229 1.00 1.00 H new ATOM 0 HG SER A 79 2.557 13.348 5.214 1.00 1.00 H new ATOM 1240 N ALA A 80 4.950 15.880 6.187 1.00 1.00 N ATOM 1241 CA ALA A 80 6.372 15.538 6.215 1.00 1.00 C ATOM 1242 C ALA A 80 6.618 14.514 7.311 1.00 1.00 C ATOM 1243 O ALA A 80 7.759 14.194 7.644 1.00 1.00 O ATOM 1244 CB ALA A 80 7.214 16.785 6.489 1.00 1.00 C ATOM 0 H ALA A 80 4.675 16.582 6.874 1.00 1.00 H new ATOM 0 HA ALA A 80 6.657 15.126 5.247 1.00 1.00 H new ATOM 0 HB1 ALA A 80 8.270 16.514 6.507 1.00 1.00 H new ATOM 0 HB2 ALA A 80 7.041 17.521 5.703 1.00 1.00 H new ATOM 0 HB3 ALA A 80 6.932 17.210 7.452 1.00 1.00 H new ATOM 1250 N LYS A 81 5.526 14.034 7.888 1.00 1.00 N ATOM 1251 CA LYS A 81 5.590 13.075 8.971 1.00 1.00 C ATOM 1252 C LYS A 81 6.479 11.897 8.641 1.00 1.00 C ATOM 1253 O LYS A 81 6.717 11.566 7.481 1.00 1.00 O ATOM 1254 CB LYS A 81 4.185 12.586 9.287 1.00 1.00 C ATOM 1255 CG LYS A 81 3.406 13.731 9.921 1.00 1.00 C ATOM 1256 CD LYS A 81 1.917 13.384 10.008 1.00 1.00 C ATOM 1257 CE LYS A 81 1.696 12.264 11.019 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.234 12.091 11.260 1.00 1.00 N ATOM 0 H LYS A 81 4.579 14.299 7.618 1.00 1.00 H new ATOM 0 HA LYS A 81 6.024 13.575 9.837 1.00 1.00 H new ATOM 0 HB2 LYS A 81 3.688 12.248 8.378 1.00 1.00 H new ATOM 0 HB3 LYS A 81 4.224 11.733 9.965 1.00 1.00 H new ATOM 0 HG2 LYS A 81 3.796 13.936 10.918 1.00 1.00 H new ATOM 0 HG3 LYS A 81 3.540 14.639 9.333 1.00 1.00 H new ATOM 0 HD2 LYS A 81 1.347 14.266 10.301 1.00 1.00 H new ATOM 0 HD3 LYS A 81 1.550 13.078 9.029 1.00 1.00 H new ATOM 0 HE2 LYS A 81 2.126 11.334 10.647 1.00 1.00 H new ATOM 0 HE3 LYS A 81 2.204 12.499 11.954 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 0.084 11.327 11.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -0.164 12.977 11.633 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -0.239 11.848 10.366 1.00 1.00 H new ATOM 1272 N SER A 82 6.957 11.284 9.701 1.00 1.00 N ATOM 1273 CA SER A 82 7.836 10.126 9.597 1.00 1.00 C ATOM 1274 C SER A 82 7.065 8.898 9.118 1.00 1.00 C ATOM 1275 O SER A 82 5.858 8.787 9.313 1.00 1.00 O ATOM 1276 CB SER A 82 8.492 9.865 10.953 1.00 1.00 C ATOM 1277 OG SER A 82 9.595 10.749 11.115 1.00 1.00 O ATOM 0 H SER A 82 6.752 11.568 10.659 1.00 1.00 H new ATOM 0 HA SER A 82 8.612 10.332 8.860 1.00 1.00 H new ATOM 0 HB2 SER A 82 7.769 10.015 11.755 1.00 1.00 H new ATOM 0 HB3 SER A 82 8.828 8.830 11.015 1.00 1.00 H new ATOM 0 HG SER A 82 10.019 10.588 11.984 1.00 1.00 H new ATOM 1283 N LEU A 83 7.790 8.008 8.456 1.00 1.00 N ATOM 1284 CA LEU A 83 7.212 6.797 7.886 1.00 1.00 C ATOM 1285 C LEU A 83 6.614 5.902 8.964 1.00 1.00 C ATOM 1286 O LEU A 83 5.530 5.345 8.798 1.00 1.00 O ATOM 1287 CB LEU A 83 8.339 6.023 7.219 1.00 1.00 C ATOM 1288 CG LEU A 83 8.898 6.803 6.019 1.00 1.00 C ATOM 1289 CD1 LEU A 83 10.273 6.236 5.668 1.00 1.00 C ATOM 1290 CD2 LEU A 83 7.980 6.647 4.798 1.00 1.00 C ATOM 0 H LEU A 83 8.793 8.103 8.298 1.00 1.00 H new ATOM 0 HA LEU A 83 6.424 7.078 7.187 1.00 1.00 H new ATOM 0 HB2 LEU A 83 9.135 5.836 7.940 1.00 1.00 H new ATOM 0 HB3 LEU A 83 7.973 5.051 6.889 1.00 1.00 H new ATOM 0 HG LEU A 83 8.965 7.859 6.282 1.00 1.00 H new ATOM 0 HD11 LEU A 83 10.684 6.779 4.817 1.00 1.00 H new ATOM 0 HD12 LEU A 83 10.940 6.343 6.524 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.177 5.181 5.413 1.00 1.00 H new ATOM 0 HD21 LEU A 83 8.393 7.207 3.959 1.00 1.00 H new ATOM 0 HD22 LEU A 83 7.906 5.593 4.530 1.00 1.00 H new ATOM 0 HD23 LEU A 83 6.988 7.031 5.037 1.00 1.00 H new ATOM 1302 N GLN A 84 7.342 5.755 10.061 1.00 1.00 N ATOM 1303 CA GLN A 84 6.888 4.900 11.159 1.00 1.00 C ATOM 1304 C GLN A 84 5.556 5.378 11.728 1.00 1.00 C ATOM 1305 O GLN A 84 4.667 4.573 11.994 1.00 1.00 O ATOM 1306 CB GLN A 84 7.941 4.883 12.271 1.00 1.00 C ATOM 1307 CG GLN A 84 9.204 4.166 11.782 1.00 1.00 C ATOM 1308 CD GLN A 84 8.904 2.694 11.515 1.00 1.00 C ATOM 1309 OE1 GLN A 84 8.549 1.953 12.431 1.00 1.00 O ATOM 1310 NE2 GLN A 84 9.009 2.231 10.298 1.00 1.00 N ATOM 0 H GLN A 84 8.241 6.210 10.219 1.00 1.00 H new ATOM 0 HA GLN A 84 6.747 3.894 10.763 1.00 1.00 H new ATOM 0 HB2 GLN A 84 8.184 5.903 12.570 1.00 1.00 H new ATOM 0 HB3 GLN A 84 7.544 4.379 13.152 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.571 4.641 10.872 1.00 1.00 H new ATOM 0 HG3 GLN A 84 9.993 4.254 12.529 1.00 1.00 H new ATOM 0 HE21 GLN A 84 9.304 2.848 9.541 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.796 1.252 10.105 1.00 1.00 H new ATOM 1319 N GLU A 85 5.421 6.680 11.908 1.00 1.00 N ATOM 1320 CA GLU A 85 4.187 7.240 12.444 1.00 1.00 C ATOM 1321 C GLU A 85 3.027 7.074 11.463 1.00 1.00 C ATOM 1322 O GLU A 85 1.903 6.784 11.873 1.00 1.00 O ATOM 1323 CB GLU A 85 4.390 8.729 12.777 1.00 1.00 C ATOM 1324 CG GLU A 85 5.171 8.891 14.095 1.00 1.00 C ATOM 1325 CD GLU A 85 6.654 8.600 13.881 1.00 1.00 C ATOM 1326 OE1 GLU A 85 7.005 8.192 12.790 1.00 1.00 O ATOM 1327 OE2 GLU A 85 7.421 8.808 14.806 1.00 1.00 O ATOM 0 H GLU A 85 6.143 7.367 11.694 1.00 1.00 H new ATOM 0 HA GLU A 85 3.935 6.696 13.354 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.930 9.218 11.966 1.00 1.00 H new ATOM 0 HB3 GLU A 85 3.422 9.224 12.859 1.00 1.00 H new ATOM 0 HG2 GLU A 85 5.045 9.904 14.476 1.00 1.00 H new ATOM 0 HG3 GLU A 85 4.767 8.215 14.848 1.00 1.00 H new ATOM 1334 N LEU A 86 3.297 7.279 10.177 1.00 1.00 N ATOM 1335 CA LEU A 86 2.250 7.162 9.166 1.00 1.00 C ATOM 1336 C LEU A 86 1.709 5.740 9.064 1.00 1.00 C ATOM 1337 O LEU A 86 0.502 5.539 8.987 1.00 1.00 O ATOM 1338 CB LEU A 86 2.794 7.587 7.797 1.00 1.00 C ATOM 1339 CG LEU A 86 3.085 9.095 7.781 1.00 1.00 C ATOM 1340 CD1 LEU A 86 3.856 9.449 6.505 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.779 9.906 7.831 1.00 1.00 C ATOM 0 H LEU A 86 4.218 7.524 9.813 1.00 1.00 H new ATOM 0 HA LEU A 86 1.434 7.817 9.470 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.705 7.032 7.572 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.071 7.341 7.019 1.00 1.00 H new ATOM 0 HG LEU A 86 3.680 9.344 8.659 1.00 1.00 H new ATOM 0 HD11 LEU A 86 4.064 10.519 6.491 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.795 8.896 6.482 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.258 9.184 5.633 1.00 1.00 H new ATOM 0 HD21 LEU A 86 2.011 10.971 7.819 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.164 9.659 6.966 1.00 1.00 H new ATOM 0 HD23 LEU A 86 1.235 9.664 8.744 1.00 1.00 H new ATOM 1353 N LEU A 87 2.597 4.752 9.065 1.00 1.00 N ATOM 1354 CA LEU A 87 2.164 3.362 8.959 1.00 1.00 C ATOM 1355 C LEU A 87 1.641 2.856 10.291 1.00 1.00 C ATOM 1356 O LEU A 87 0.870 1.911 10.341 1.00 1.00 O ATOM 1357 CB LEU A 87 3.316 2.478 8.435 1.00 1.00 C ATOM 1358 CG LEU A 87 4.473 2.369 9.463 1.00 1.00 C ATOM 1359 CD1 LEU A 87 4.291 1.146 10.383 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.809 2.218 8.720 1.00 1.00 C ATOM 0 H LEU A 87 3.606 4.883 9.137 1.00 1.00 H new ATOM 0 HA LEU A 87 1.345 3.308 8.242 1.00 1.00 H new ATOM 0 HB2 LEU A 87 2.936 1.482 8.209 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.697 2.893 7.502 1.00 1.00 H new ATOM 0 HG LEU A 87 4.466 3.275 10.069 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.118 1.098 11.092 1.00 1.00 H new ATOM 0 HD12 LEU A 87 3.351 1.237 10.927 1.00 1.00 H new ATOM 0 HD13 LEU A 87 4.275 0.237 9.781 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.621 2.142 9.443 1.00 1.00 H new ATOM 0 HD22 LEU A 87 5.784 1.318 8.106 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.971 3.087 8.083 1.00 1.00 H new ATOM 1372 N SER A 88 2.056 3.492 11.372 1.00 1.00 N ATOM 1373 CA SER A 88 1.607 3.079 12.696 1.00 1.00 C ATOM 1374 C SER A 88 0.093 3.199 12.815 1.00 1.00 C ATOM 1375 O SER A 88 -0.571 2.316 13.359 1.00 1.00 O ATOM 1376 CB SER A 88 2.280 3.932 13.770 1.00 1.00 C ATOM 1377 OG SER A 88 3.652 3.572 13.865 1.00 1.00 O ATOM 0 H SER A 88 2.695 4.287 11.364 1.00 1.00 H new ATOM 0 HA SER A 88 1.885 2.035 12.840 1.00 1.00 H new ATOM 0 HB2 SER A 88 2.186 4.989 13.523 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.786 3.784 14.730 1.00 1.00 H new ATOM 0 HG SER A 88 4.092 3.728 13.003 1.00 1.00 H new ATOM 1383 N ALA A 89 -0.453 4.297 12.303 1.00 1.00 N ATOM 1384 CA ALA A 89 -1.897 4.522 12.360 1.00 1.00 C ATOM 1385 C ALA A 89 -2.597 3.925 11.140 1.00 1.00 C ATOM 1386 O ALA A 89 -3.637 3.281 11.261 1.00 1.00 O ATOM 1387 CB ALA A 89 -2.181 6.025 12.419 1.00 1.00 C ATOM 0 H ALA A 89 0.075 5.041 11.847 1.00 1.00 H new ATOM 0 HA ALA A 89 -2.282 4.032 13.255 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -3.258 6.190 12.461 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -1.713 6.449 13.308 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -1.775 6.507 11.530 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.025 4.169 9.967 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.606 3.679 8.719 1.00 1.00 C ATOM 1395 C HIS A 90 -2.561 2.152 8.606 1.00 1.00 C ATOM 1396 O HIS A 90 -3.497 1.551 8.096 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.896 4.339 7.526 1.00 1.00 C ATOM 1398 CG HIS A 90 -2.239 5.806 7.516 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.551 6.251 7.550 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.462 6.937 7.472 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.524 7.595 7.519 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -2.276 8.064 7.476 1.00 1.00 N ATOM 0 H HIS A 90 -1.162 4.701 9.852 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.661 3.954 8.714 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.817 4.203 7.605 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -2.209 3.871 6.593 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -0.383 6.949 7.439 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -4.406 8.219 7.528 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -1.982 9.040 7.451 1.00 1.00 H new ATOM 1411 N SER A 91 -1.470 1.536 9.057 1.00 1.00 N ATOM 1412 CA SER A 91 -1.312 0.082 8.973 1.00 1.00 C ATOM 1413 C SER A 91 -2.631 -0.654 9.160 1.00 1.00 C ATOM 1414 O SER A 91 -3.179 -0.731 10.258 1.00 1.00 O ATOM 1415 CB SER A 91 -0.317 -0.415 10.025 1.00 1.00 C ATOM 1416 OG SER A 91 -0.545 0.272 11.250 1.00 1.00 O ATOM 0 H SER A 91 -0.681 2.020 9.485 1.00 1.00 H new ATOM 0 HA SER A 91 -0.937 -0.131 7.972 1.00 1.00 H new ATOM 0 HB2 SER A 91 -0.431 -1.489 10.171 1.00 1.00 H new ATOM 0 HB3 SER A 91 0.705 -0.246 9.685 1.00 1.00 H new ATOM 0 HG SER A 91 0.099 1.006 11.338 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.099 -1.210 8.063 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.337 -1.989 8.054 1.00 1.00 C ATOM 1424 C LEU A 92 -4.026 -3.460 8.293 1.00 1.00 C ATOM 1425 O LEU A 92 -4.931 -4.294 8.331 1.00 1.00 O ATOM 1426 CB LEU A 92 -5.020 -1.861 6.691 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.430 -0.404 6.439 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -5.909 -0.236 4.981 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.559 0.010 7.405 1.00 1.00 C ATOM 0 H LEU A 92 -2.642 -1.141 7.154 1.00 1.00 H new ATOM 0 HA LEU A 92 -4.990 -1.611 8.841 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.345 -2.198 5.905 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -5.898 -2.505 6.654 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.564 0.235 6.611 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -6.198 0.801 4.810 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -5.102 -0.504 4.300 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -6.766 -0.886 4.802 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -6.839 1.046 7.214 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.424 -0.634 7.251 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.212 -0.089 8.434 1.00 1.00 H new ATOM 1441 N SER A 93 -2.735 -3.783 8.412 1.00 1.00 N ATOM 1442 CA SER A 93 -2.315 -5.177 8.596 1.00 1.00 C ATOM 1443 C SER A 93 -1.297 -5.327 9.722 1.00 1.00 C ATOM 1444 O SER A 93 -0.497 -4.430 9.984 1.00 1.00 O ATOM 1445 CB SER A 93 -1.705 -5.678 7.293 1.00 1.00 C ATOM 1446 OG SER A 93 -1.107 -6.944 7.507 1.00 1.00 O ATOM 0 H SER A 93 -1.970 -3.108 8.385 1.00 1.00 H new ATOM 0 HA SER A 93 -3.192 -5.764 8.868 1.00 1.00 H new ATOM 0 HB2 SER A 93 -2.474 -5.753 6.524 1.00 1.00 H new ATOM 0 HB3 SER A 93 -0.960 -4.969 6.931 1.00 1.00 H new ATOM 0 HG SER A 93 -1.647 -7.638 7.075 1.00 1.00 H new ATOM 1452 N SER A 94 -1.341 -6.485 10.383 1.00 1.00 N ATOM 1453 CA SER A 94 -0.429 -6.785 11.488 1.00 1.00 C ATOM 1454 C SER A 94 0.679 -7.732 11.029 1.00 1.00 C ATOM 1455 O SER A 94 1.288 -8.432 11.838 1.00 1.00 O ATOM 1456 CB SER A 94 -1.201 -7.423 12.643 1.00 1.00 C ATOM 1457 OG SER A 94 -2.265 -6.559 13.025 1.00 1.00 O ATOM 0 H SER A 94 -2.001 -7.233 10.171 1.00 1.00 H new ATOM 0 HA SER A 94 0.023 -5.852 11.824 1.00 1.00 H new ATOM 0 HB2 SER A 94 -1.595 -8.394 12.341 1.00 1.00 H new ATOM 0 HB3 SER A 94 -0.536 -7.597 13.489 1.00 1.00 H new ATOM 0 HG SER A 94 -2.765 -6.963 13.764 1.00 1.00 H new ATOM 1463 N TRP A 95 0.934 -7.752 9.719 1.00 1.00 N ATOM 1464 CA TRP A 95 1.970 -8.623 9.153 1.00 1.00 C ATOM 1465 C TRP A 95 2.797 -7.878 8.103 1.00 1.00 C ATOM 1466 O TRP A 95 2.421 -6.799 7.649 1.00 1.00 O ATOM 1467 CB TRP A 95 1.326 -9.876 8.535 1.00 1.00 C ATOM 1468 CG TRP A 95 0.638 -9.535 7.253 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.256 -9.248 6.089 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.793 -9.448 6.993 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.297 -8.986 5.129 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.981 -9.090 5.638 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.934 -9.637 7.795 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -2.256 -8.930 5.097 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -3.218 -9.473 7.253 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.379 -9.117 5.908 1.00 1.00 C ATOM 0 H TRP A 95 0.442 -7.180 9.033 1.00 1.00 H new ATOM 0 HA TRP A 95 2.639 -8.928 9.957 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.090 -10.633 8.354 1.00 1.00 H new ATOM 0 HB3 TRP A 95 0.610 -10.307 9.235 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.324 -9.226 5.933 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.509 -8.745 4.161 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.821 -9.910 8.834 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.375 -8.663 4.057 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -4.087 -9.622 7.877 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.370 -8.987 5.498 1.00 1.00 H new ATOM 1487 N GLY A 96 3.932 -8.466 7.734 1.00 1.00 N ATOM 1488 CA GLY A 96 4.821 -7.855 6.747 1.00 1.00 C ATOM 1489 C GLY A 96 6.255 -8.352 6.911 1.00 1.00 C ATOM 1490 O GLY A 96 7.179 -7.554 7.060 1.00 1.00 O ATOM 0 H GLY A 96 4.258 -9.360 8.101 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.466 -8.086 5.742 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.795 -6.770 6.853 1.00 1.00 H new ATOM 1494 N ALA A 97 6.430 -9.673 6.886 1.00 1.00 N ATOM 1495 CA ALA A 97 7.756 -10.279 7.034 1.00 1.00 C ATOM 1496 C ALA A 97 8.124 -10.418 8.512 1.00 1.00 C ATOM 1497 O ALA A 97 9.257 -10.141 8.906 1.00 1.00 O ATOM 1498 CB ALA A 97 8.824 -9.440 6.308 1.00 1.00 C ATOM 0 H ALA A 97 5.672 -10.345 6.765 1.00 1.00 H new ATOM 0 HA ALA A 97 7.723 -11.271 6.584 1.00 1.00 H new ATOM 0 HB1 ALA A 97 9.800 -9.909 6.431 1.00 1.00 H new ATOM 0 HB2 ALA A 97 8.581 -9.381 5.247 1.00 1.00 H new ATOM 0 HB3 ALA A 97 8.847 -8.436 6.731 1.00 1.00 H new