USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -1.41 K(o=0.51,f=-1.3!) USER MOD Set 1.2: A 67 TYR OH : rot -121:sc= 1.03 USER MOD Set 1.3: A 78 THR OG1 : rot 171:sc= 0.893 USER MOD Set 2.1: A 26 HIS : no HE2:sc= -0.143 K(o=-0.3,f=-2.8) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -0.155 X(o=-0.3,f=-0.35) USER MOD Single : A 1 GLY N :NH3+ -156:sc= -0.0257 (180deg=-1.87) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.901) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.1) USER MOD Single : A 16 GLN : amide:sc= 1.09 K(o=1.1,f=-0.83) USER MOD Single : A 19 THR OG1 : rot -0:sc= 1.09 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0423) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.363 K(o=-0.36,f=-4.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -118:sc= 1.44 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 47 THR OG1 : rot 150:sc= 0.0599 USER MOD Single : A 48 TYR OH : rot -15:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.568) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.912) USER MOD Single : A 63 THR OG1 : rot 80:sc= -0.238 USER MOD Single : A 65 MET CE :methyl 171:sc= -0.0122 (180deg=-0.231) USER MOD Single : A 70 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.7) USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= 1.17 (180deg=1.04) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 15:sc=-0.00418 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 179:sc= -0.0285 (180deg=-0.0303) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 137:sc= 0.63 (180deg=-2.96!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 97 TYR OH : rot -2:sc= 1.25 USER MOD Single : A 99 LYS NZ :NH3+ -103:sc= 1.09 (180deg=-0.37!) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.17) USER MOD Single : A 102 THR OG1 : rot 99:sc= 1.17 USER MOD Single : A 103 ASN : amide:sc= -0.165 K(o=-0.17,f=-0.83) USER MOD Single : A 105 HEC O2A : rot 163:sc= -0.0513 USER MOD Single : A 105 HEC O2D : rot 119:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.115 9.579 2.993 1.00 0.00 N ATOM 2 CA GLY A 1 -11.066 10.050 4.373 1.00 0.00 C ATOM 3 C GLY A 1 -10.292 11.363 4.368 1.00 0.00 C ATOM 4 O GLY A 1 -10.369 12.066 3.362 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.933 8.949 2.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.205 10.393 2.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.242 9.059 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.072 10.197 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.577 9.316 5.014 1.00 0.00 H new ATOM 10 N ASP A 2 -9.565 11.675 5.432 1.00 0.00 N ATOM 11 CA ASP A 2 -9.179 13.040 5.801 1.00 0.00 C ATOM 12 C ASP A 2 -7.841 13.505 5.218 1.00 0.00 C ATOM 13 O ASP A 2 -7.516 14.683 5.343 1.00 0.00 O ATOM 14 CB ASP A 2 -9.120 13.148 7.337 1.00 0.00 C ATOM 15 CG ASP A 2 -10.191 14.045 7.945 1.00 0.00 C ATOM 16 OD1 ASP A 2 -11.322 14.045 7.415 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.857 14.682 8.968 1.00 0.00 O ATOM 0 H ASP A 2 -9.216 10.971 6.083 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.939 13.694 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.214 12.149 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.139 13.526 7.625 1.00 0.00 H new ATOM 22 N VAL A 3 -7.028 12.593 4.669 1.00 0.00 N ATOM 23 CA VAL A 3 -5.659 12.782 4.196 1.00 0.00 C ATOM 24 C VAL A 3 -4.718 13.010 5.378 1.00 0.00 C ATOM 25 O VAL A 3 -3.781 12.238 5.586 1.00 0.00 O ATOM 26 CB VAL A 3 -5.577 13.884 3.127 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.131 14.267 2.783 1.00 0.00 C ATOM 28 CG2 VAL A 3 -6.299 13.476 1.841 1.00 0.00 C ATOM 0 H VAL A 3 -7.339 11.631 4.536 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.327 11.871 3.698 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.070 14.752 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.133 15.049 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.628 14.632 3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.604 13.392 2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.220 14.279 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.842 12.572 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.350 13.286 2.059 1.00 0.00 H new ATOM 38 N GLU A 4 -4.974 14.053 6.166 1.00 0.00 N ATOM 39 CA GLU A 4 -4.175 14.391 7.328 1.00 0.00 C ATOM 40 C GLU A 4 -4.181 13.245 8.331 1.00 0.00 C ATOM 41 O GLU A 4 -3.129 12.796 8.789 1.00 0.00 O ATOM 42 CB GLU A 4 -4.675 15.701 7.949 1.00 0.00 C ATOM 43 CG GLU A 4 -4.237 16.928 7.128 1.00 0.00 C ATOM 44 CD GLU A 4 -2.938 17.537 7.648 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.885 17.847 8.854 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.979 17.635 6.848 1.00 0.00 O ATOM 0 H GLU A 4 -5.754 14.691 6.008 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.141 14.545 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.763 15.679 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.294 15.790 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.108 16.638 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.025 17.681 7.154 1.00 0.00 H new ATOM 53 N LYS A 5 -5.376 12.744 8.641 1.00 0.00 N ATOM 54 CA LYS A 5 -5.491 11.572 9.483 1.00 0.00 C ATOM 55 C LYS A 5 -4.857 10.378 8.773 1.00 0.00 C ATOM 56 O LYS A 5 -4.139 9.621 9.413 1.00 0.00 O ATOM 57 CB LYS A 5 -6.944 11.325 9.896 1.00 0.00 C ATOM 58 CG LYS A 5 -7.533 12.582 10.558 1.00 0.00 C ATOM 59 CD LYS A 5 -8.534 12.252 11.671 1.00 0.00 C ATOM 60 CE LYS A 5 -7.788 11.924 12.973 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.716 11.673 14.093 1.00 0.00 N ATOM 0 H LYS A 5 -6.264 13.132 8.322 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.946 11.732 10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.536 11.055 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.994 10.484 10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.723 13.184 10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.027 13.189 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.204 13.097 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.153 11.405 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.159 11.047 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.125 12.751 13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.172 11.455 14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.299 12.518 14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.332 10.868 13.860 1.00 0.00 H new ATOM 75 N GLY A 6 -5.052 10.240 7.456 1.00 0.00 N ATOM 76 CA GLY A 6 -4.427 9.170 6.681 1.00 0.00 C ATOM 77 C GLY A 6 -2.925 9.105 6.943 1.00 0.00 C ATOM 78 O GLY A 6 -2.438 8.059 7.353 1.00 0.00 O ATOM 0 H GLY A 6 -5.643 10.863 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.886 8.215 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.607 9.334 5.619 1.00 0.00 H new ATOM 82 N LYS A 7 -2.182 10.199 6.750 1.00 0.00 N ATOM 83 CA LYS A 7 -0.728 10.156 6.913 1.00 0.00 C ATOM 84 C LYS A 7 -0.288 9.767 8.317 1.00 0.00 C ATOM 85 O LYS A 7 0.664 9.004 8.493 1.00 0.00 O ATOM 86 CB LYS A 7 -0.015 11.393 6.361 1.00 0.00 C ATOM 87 CG LYS A 7 -0.429 12.656 7.083 1.00 0.00 C ATOM 88 CD LYS A 7 0.323 13.889 6.564 1.00 0.00 C ATOM 89 CE LYS A 7 -0.483 15.136 6.949 1.00 0.00 C ATOM 90 NZ LYS A 7 0.280 16.396 6.905 1.00 0.00 N ATOM 0 H LYS A 7 -2.556 11.110 6.485 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.392 9.336 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.063 11.261 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.235 11.494 5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.501 12.808 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.243 12.541 8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.323 13.934 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.444 13.833 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.339 15.221 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.878 15.001 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.378 17.198 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.852 16.486 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.906 16.394 6.074 1.00 0.00 H new ATOM 104 N LYS A 8 -0.996 10.276 9.320 1.00 0.00 N ATOM 105 CA LYS A 8 -0.648 10.003 10.700 1.00 0.00 C ATOM 106 C LYS A 8 -0.871 8.529 10.991 1.00 0.00 C ATOM 107 O LYS A 8 0.013 7.843 11.503 1.00 0.00 O ATOM 108 CB LYS A 8 -1.508 10.865 11.636 1.00 0.00 C ATOM 109 CG LYS A 8 -0.965 12.291 11.782 1.00 0.00 C ATOM 110 CD LYS A 8 -0.100 12.449 13.045 1.00 0.00 C ATOM 111 CE LYS A 8 1.134 11.530 13.047 1.00 0.00 C ATOM 112 NZ LYS A 8 1.993 11.740 14.230 1.00 0.00 N ATOM 0 H LYS A 8 -1.811 10.877 9.199 1.00 0.00 H new ATOM 0 HA LYS A 8 0.401 10.248 10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.528 10.905 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.554 10.395 12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.374 12.546 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.797 12.994 11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.226 13.486 13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.708 12.234 13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.809 10.490 13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.716 11.707 12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.810 11.098 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.327 12.725 14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.448 11.545 15.094 1.00 0.00 H new ATOM 126 N ILE A 9 -2.073 8.061 10.674 1.00 0.00 N ATOM 127 CA ILE A 9 -2.533 6.736 11.011 1.00 0.00 C ATOM 128 C ILE A 9 -1.685 5.731 10.236 1.00 0.00 C ATOM 129 O ILE A 9 -1.227 4.736 10.794 1.00 0.00 O ATOM 130 CB ILE A 9 -4.021 6.685 10.651 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.850 7.534 11.633 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.527 5.252 10.673 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.318 7.655 11.210 1.00 0.00 C ATOM 0 H ILE A 9 -2.764 8.612 10.164 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.428 6.491 12.068 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.135 7.091 9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.797 7.089 12.627 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.413 8.530 11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.586 5.236 10.415 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.968 4.658 9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.390 4.833 11.670 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.857 8.263 11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.376 8.125 10.228 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.766 6.663 11.164 1.00 0.00 H new ATOM 145 N PHE A 10 -1.469 6.025 8.952 1.00 0.00 N ATOM 146 CA PHE A 10 -0.541 5.317 8.097 1.00 0.00 C ATOM 147 C PHE A 10 0.768 5.122 8.839 1.00 0.00 C ATOM 148 O PHE A 10 1.106 4.003 9.202 1.00 0.00 O ATOM 149 CB PHE A 10 -0.331 6.111 6.795 1.00 0.00 C ATOM 150 CG PHE A 10 0.803 5.614 5.926 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.595 4.526 5.079 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.110 6.071 6.140 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.687 3.851 4.521 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.207 5.354 5.664 1.00 0.00 C ATOM 155 CZ PHE A 10 2.995 4.241 4.839 1.00 0.00 C ATOM 0 H PHE A 10 -1.953 6.785 8.474 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.941 4.337 7.835 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.254 6.082 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.146 7.155 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.411 4.203 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.270 6.992 6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.521 3.027 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.210 5.653 5.928 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.836 3.686 4.450 1.00 0.00 H new ATOM 165 N VAL A 11 1.499 6.203 9.109 1.00 0.00 N ATOM 166 CA VAL A 11 2.791 6.093 9.745 1.00 0.00 C ATOM 167 C VAL A 11 2.674 5.295 11.053 1.00 0.00 C ATOM 168 O VAL A 11 3.550 4.493 11.370 1.00 0.00 O ATOM 169 CB VAL A 11 3.406 7.497 9.910 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.449 7.532 11.023 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.041 8.042 8.623 1.00 0.00 C ATOM 0 H VAL A 11 1.211 7.158 8.894 1.00 0.00 H new ATOM 0 HA VAL A 11 3.482 5.528 9.119 1.00 0.00 H new ATOM 0 HB VAL A 11 2.564 8.139 10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.858 8.539 11.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.983 7.250 11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.252 6.832 10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.454 9.033 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.838 7.373 8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.283 8.108 7.843 1.00 0.00 H new ATOM 181 N GLN A 12 1.577 5.477 11.794 1.00 0.00 N ATOM 182 CA GLN A 12 1.330 4.754 13.031 1.00 0.00 C ATOM 183 C GLN A 12 1.384 3.227 12.856 1.00 0.00 C ATOM 184 O GLN A 12 1.864 2.556 13.767 1.00 0.00 O ATOM 185 CB GLN A 12 -0.003 5.204 13.652 1.00 0.00 C ATOM 186 CG GLN A 12 0.070 5.271 15.178 1.00 0.00 C ATOM 187 CD GLN A 12 -1.274 5.688 15.768 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.806 6.742 15.434 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.847 4.867 16.643 1.00 0.00 N ATOM 0 H GLN A 12 0.837 6.134 11.546 1.00 0.00 H new ATOM 0 HA GLN A 12 2.140 5.002 13.717 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.274 6.184 13.259 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.792 4.513 13.357 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.361 4.299 15.576 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.840 5.981 15.479 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.384 3.996 16.904 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.749 5.108 17.053 1.00 0.00 H new ATOM 198 N LYS A 13 0.865 2.668 11.748 1.00 0.00 N ATOM 199 CA LYS A 13 0.745 1.208 11.599 1.00 0.00 C ATOM 200 C LYS A 13 1.260 0.593 10.291 1.00 0.00 C ATOM 201 O LYS A 13 1.235 -0.629 10.144 1.00 0.00 O ATOM 202 CB LYS A 13 -0.691 0.775 11.869 1.00 0.00 C ATOM 203 CG LYS A 13 -1.680 1.394 10.886 1.00 0.00 C ATOM 204 CD LYS A 13 -2.723 2.178 11.675 1.00 0.00 C ATOM 205 CE LYS A 13 -3.676 1.262 12.461 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.777 2.019 13.083 1.00 0.00 N ATOM 0 H LYS A 13 0.524 3.202 10.948 1.00 0.00 H new ATOM 0 HA LYS A 13 1.429 0.808 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.757 -0.311 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.968 1.057 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.160 2.051 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.160 0.616 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.219 2.853 12.367 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.302 2.798 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.088 0.506 11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.117 0.733 13.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.486 1.356 13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.403 2.601 13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.221 2.634 12.372 1.00 0.00 H new ATOM 220 N CYS A 14 1.716 1.404 9.343 1.00 0.00 N ATOM 221 CA CYS A 14 2.139 0.967 8.020 1.00 0.00 C ATOM 222 C CYS A 14 3.644 1.179 7.916 1.00 0.00 C ATOM 223 O CYS A 14 4.368 0.304 7.452 1.00 0.00 O ATOM 224 CB CYS A 14 1.456 1.758 6.932 1.00 0.00 C ATOM 225 SG CYS A 14 -0.361 1.839 6.976 1.00 0.00 S ATOM 0 H CYS A 14 1.804 2.411 9.479 1.00 0.00 H new ATOM 0 HA CYS A 14 1.873 -0.082 7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.840 2.778 6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.752 1.336 5.972 1.00 0.00 H new ATOM 230 N ALA A 15 4.121 2.351 8.353 1.00 0.00 N ATOM 231 CA ALA A 15 5.501 2.776 8.162 1.00 0.00 C ATOM 232 C ALA A 15 6.534 1.798 8.696 1.00 0.00 C ATOM 233 O ALA A 15 7.606 1.674 8.107 1.00 0.00 O ATOM 234 CB ALA A 15 5.742 4.151 8.754 1.00 0.00 C ATOM 0 H ALA A 15 3.550 3.032 8.853 1.00 0.00 H new ATOM 0 HA ALA A 15 5.636 2.811 7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.781 4.439 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.087 4.875 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.532 4.129 9.823 1.00 0.00 H new ATOM 240 N GLN A 16 6.208 1.098 9.786 1.00 0.00 N ATOM 241 CA GLN A 16 7.011 0.011 10.319 1.00 0.00 C ATOM 242 C GLN A 16 7.536 -0.916 9.210 1.00 0.00 C ATOM 243 O GLN A 16 8.670 -1.384 9.286 1.00 0.00 O ATOM 244 CB GLN A 16 6.198 -0.736 11.384 1.00 0.00 C ATOM 245 CG GLN A 16 4.858 -1.311 10.890 1.00 0.00 C ATOM 246 CD GLN A 16 4.110 -2.038 12.005 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.708 -2.500 12.970 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.789 -2.149 11.896 1.00 0.00 N ATOM 0 H GLN A 16 5.363 1.279 10.327 1.00 0.00 H new ATOM 0 HA GLN A 16 7.903 0.422 10.793 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.804 -1.552 11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.002 -0.057 12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.237 -0.504 10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.040 -1.999 10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.310 -1.758 11.085 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.255 -2.625 12.623 1.00 0.00 H new ATOM 257 N CYS A 17 6.716 -1.157 8.183 1.00 0.00 N ATOM 258 CA CYS A 17 7.074 -1.896 6.987 1.00 0.00 C ATOM 259 C CYS A 17 7.345 -0.948 5.800 1.00 0.00 C ATOM 260 O CYS A 17 8.164 -1.285 4.948 1.00 0.00 O ATOM 261 CB CYS A 17 5.981 -2.889 6.673 1.00 0.00 C ATOM 262 SG CYS A 17 5.729 -4.106 8.013 1.00 0.00 S ATOM 0 H CYS A 17 5.751 -0.827 8.169 1.00 0.00 H new ATOM 0 HA CYS A 17 8.002 -2.440 7.165 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.049 -2.353 6.494 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.228 -3.415 5.751 1.00 0.00 H new ATOM 267 N HIS A 18 6.680 0.217 5.724 1.00 0.00 N ATOM 268 CA HIS A 18 6.684 1.113 4.563 1.00 0.00 C ATOM 269 C HIS A 18 7.020 2.560 4.942 1.00 0.00 C ATOM 270 O HIS A 18 6.136 3.411 4.901 1.00 0.00 O ATOM 271 CB HIS A 18 5.276 1.128 3.952 1.00 0.00 C ATOM 272 CG HIS A 18 4.805 -0.169 3.380 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.048 -0.591 2.098 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.762 -0.900 3.876 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.197 -1.593 1.843 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.404 -1.837 2.894 1.00 0.00 N ATOM 0 H HIS A 18 6.109 0.568 6.493 1.00 0.00 H new ATOM 0 HA HIS A 18 7.441 0.743 3.871 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.570 1.443 4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.249 1.882 3.165 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.746 -0.212 1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.299 -0.779 4.844 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.156 -2.135 0.910 1.00 0.00 H new ATOM 284 N THR A 19 8.257 2.906 5.295 1.00 0.00 N ATOM 285 CA THR A 19 8.560 4.272 5.718 1.00 0.00 C ATOM 286 C THR A 19 8.663 5.208 4.502 1.00 0.00 C ATOM 287 O THR A 19 9.763 5.594 4.112 1.00 0.00 O ATOM 288 CB THR A 19 9.827 4.260 6.587 1.00 0.00 C ATOM 289 OG1 THR A 19 9.676 3.376 7.680 1.00 0.00 O ATOM 290 CG2 THR A 19 10.144 5.635 7.177 1.00 0.00 C ATOM 0 H THR A 19 9.055 2.270 5.297 1.00 0.00 H new ATOM 0 HA THR A 19 7.748 4.668 6.328 1.00 0.00 H new ATOM 0 HB THR A 19 10.634 3.946 5.926 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.788 2.962 7.646 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.048 5.571 7.782 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.297 6.351 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.312 5.964 7.800 1.00 0.00 H new ATOM 298 N VAL A 20 7.524 5.537 3.877 1.00 0.00 N ATOM 299 CA VAL A 20 7.392 6.421 2.723 1.00 0.00 C ATOM 300 C VAL A 20 8.283 7.661 2.857 1.00 0.00 C ATOM 301 O VAL A 20 8.008 8.525 3.681 1.00 0.00 O ATOM 302 CB VAL A 20 5.910 6.785 2.476 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.094 5.524 2.175 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.225 7.530 3.633 1.00 0.00 C ATOM 0 H VAL A 20 6.623 5.170 4.184 1.00 0.00 H new ATOM 0 HA VAL A 20 7.744 5.883 1.843 1.00 0.00 H new ATOM 0 HB VAL A 20 5.933 7.467 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.053 5.797 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.493 5.036 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.155 4.840 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.189 7.742 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.250 6.911 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.749 8.466 3.824 1.00 0.00 H new ATOM 314 N GLU A 21 9.360 7.708 2.063 1.00 0.00 N ATOM 315 CA GLU A 21 10.341 8.794 2.017 1.00 0.00 C ATOM 316 C GLU A 21 11.369 8.469 0.921 1.00 0.00 C ATOM 317 O GLU A 21 12.571 8.671 1.070 1.00 0.00 O ATOM 318 CB GLU A 21 10.983 9.006 3.412 1.00 0.00 C ATOM 319 CG GLU A 21 10.550 10.330 4.066 1.00 0.00 C ATOM 320 CD GLU A 21 11.295 11.529 3.490 1.00 0.00 C ATOM 321 OE1 GLU A 21 11.249 11.689 2.251 1.00 0.00 O ATOM 322 OE2 GLU A 21 11.903 12.258 4.302 1.00 0.00 O ATOM 0 H GLU A 21 9.579 6.957 1.408 1.00 0.00 H new ATOM 0 HA GLU A 21 9.863 9.740 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.710 8.176 4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.069 8.991 3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.478 10.469 3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.726 10.277 5.140 1.00 0.00 H new ATOM 329 N LYS A 22 10.887 7.874 -0.179 1.00 0.00 N ATOM 330 CA LYS A 22 11.677 7.363 -1.293 1.00 0.00 C ATOM 331 C LYS A 22 12.954 6.609 -0.872 1.00 0.00 C ATOM 332 O LYS A 22 13.938 6.616 -1.609 1.00 0.00 O ATOM 333 CB LYS A 22 11.960 8.510 -2.274 1.00 0.00 C ATOM 334 CG LYS A 22 10.659 9.145 -2.789 1.00 0.00 C ATOM 335 CD LYS A 22 10.951 10.195 -3.870 1.00 0.00 C ATOM 336 CE LYS A 22 9.633 10.820 -4.358 1.00 10.00 C ATOM 337 NZ LYS A 22 9.848 11.905 -5.336 1.00 10.00 N ATOM 0 H LYS A 22 9.886 7.732 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 22 11.084 6.598 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.567 9.270 -1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.541 8.135 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.008 8.371 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.124 9.609 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.605 10.970 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.477 9.733 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.013 10.046 -4.810 1.00 10.00 H new ATOM 0 HE3 LYS A 22 9.082 11.211 -3.503 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 8.929 12.292 -5.633 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 10.416 12.659 -4.899 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 10.350 11.530 -6.166 1.00 10.00 H new ATOM 351 N GLY A 23 12.948 5.919 0.279 1.00 0.00 N ATOM 352 CA GLY A 23 14.157 5.270 0.774 1.00 0.00 C ATOM 353 C GLY A 23 13.987 4.656 2.163 1.00 0.00 C ATOM 354 O GLY A 23 14.855 4.801 3.018 1.00 0.00 O ATOM 0 H GLY A 23 12.127 5.801 0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.455 4.490 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.967 5.999 0.803 1.00 0.00 H new ATOM 358 N GLY A 24 12.890 3.928 2.380 1.00 0.00 N ATOM 359 CA GLY A 24 12.581 3.307 3.666 1.00 0.00 C ATOM 360 C GLY A 24 13.148 1.894 3.821 1.00 0.00 C ATOM 361 O GLY A 24 12.940 1.283 4.864 1.00 0.00 O ATOM 0 H GLY A 24 12.187 3.753 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.973 3.935 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.499 3.270 3.790 1.00 0.00 H new ATOM 365 N LYS A 25 13.847 1.387 2.796 1.00 0.00 N ATOM 366 CA LYS A 25 14.446 0.056 2.735 1.00 0.00 C ATOM 367 C LYS A 25 13.374 -1.020 2.520 1.00 0.00 C ATOM 368 O LYS A 25 12.536 -1.256 3.385 1.00 0.00 O ATOM 369 CB LYS A 25 15.322 -0.222 3.973 1.00 0.00 C ATOM 370 CG LYS A 25 16.307 -1.387 3.806 1.00 0.00 C ATOM 371 CD LYS A 25 17.412 -1.066 2.785 1.00 0.00 C ATOM 372 CE LYS A 25 18.584 -2.058 2.845 1.00 0.00 C ATOM 373 NZ LYS A 25 19.403 -1.899 4.068 1.00 0.00 N ATOM 0 H LYS A 25 14.016 1.925 1.946 1.00 0.00 H new ATOM 0 HA LYS A 25 15.109 0.020 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.884 0.680 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.672 -0.431 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.760 -1.619 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.765 -2.277 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.987 -1.073 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.785 -0.058 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.196 -3.076 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.217 -1.920 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.244 -2.507 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.699 -0.906 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.841 -2.172 4.900 1.00 0.00 H new ATOM 387 N HIS A 26 13.411 -1.695 1.365 1.00 0.00 N ATOM 388 CA HIS A 26 12.396 -2.668 0.970 1.00 0.00 C ATOM 389 C HIS A 26 12.585 -3.998 1.715 1.00 0.00 C ATOM 390 O HIS A 26 12.865 -5.028 1.108 1.00 0.00 O ATOM 391 CB HIS A 26 12.407 -2.886 -0.551 1.00 0.00 C ATOM 392 CG HIS A 26 12.797 -1.681 -1.374 1.00 0.00 C ATOM 393 ND1 HIS A 26 14.073 -1.409 -1.818 1.00 0.00 N ATOM 394 CD2 HIS A 26 12.003 -0.627 -1.735 1.00 0.00 C ATOM 395 CE1 HIS A 26 14.049 -0.202 -2.407 1.00 0.00 C ATOM 396 NE2 HIS A 26 12.816 0.321 -2.360 1.00 0.00 N ATOM 0 H HIS A 26 14.154 -1.578 0.676 1.00 0.00 H new ATOM 0 HA HIS A 26 11.422 -2.265 1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.095 -3.700 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.414 -3.212 -0.862 1.00 0.00 H new ATOM 0 HD1 HIS A 26 14.888 -2.014 -1.718 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.939 -0.543 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.905 0.280 -2.856 1.00 0.00 H new ATOM 404 N LYS A 27 12.481 -3.973 3.043 1.00 0.00 N ATOM 405 CA LYS A 27 12.720 -5.150 3.867 1.00 0.00 C ATOM 406 C LYS A 27 11.423 -5.939 4.014 1.00 0.00 C ATOM 407 O LYS A 27 11.308 -7.049 3.499 1.00 0.00 O ATOM 408 CB LYS A 27 13.335 -4.748 5.216 1.00 0.00 C ATOM 409 CG LYS A 27 13.627 -5.996 6.064 1.00 0.00 C ATOM 410 CD LYS A 27 14.439 -5.646 7.316 1.00 0.00 C ATOM 411 CE LYS A 27 14.717 -6.924 8.123 1.00 0.00 C ATOM 412 NZ LYS A 27 15.537 -6.664 9.326 1.00 0.00 N ATOM 0 H LYS A 27 12.230 -3.139 3.573 1.00 0.00 H new ATOM 0 HA LYS A 27 13.446 -5.803 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.256 -4.189 5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.653 -4.088 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.688 -6.466 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.175 -6.724 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.378 -5.172 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.892 -4.929 7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.771 -7.375 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.228 -7.648 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.697 -7.556 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.452 -6.259 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.040 -5.994 9.947 1.00 0.00 H new ATOM 426 N THR A 28 10.464 -5.370 4.744 1.00 0.00 N ATOM 427 CA THR A 28 9.209 -6.034 5.072 1.00 0.00 C ATOM 428 C THR A 28 8.061 -5.456 4.245 1.00 0.00 C ATOM 429 O THR A 28 6.920 -5.849 4.443 1.00 0.00 O ATOM 430 CB THR A 28 8.932 -5.913 6.584 1.00 0.00 C ATOM 431 OG1 THR A 28 10.150 -5.884 7.311 1.00 0.00 O ATOM 432 CG2 THR A 28 8.107 -7.099 7.097 1.00 0.00 C ATOM 0 H THR A 28 10.540 -4.427 5.126 1.00 0.00 H new ATOM 0 HA THR A 28 9.290 -7.092 4.823 1.00 0.00 H new ATOM 0 HB THR A 28 8.376 -4.988 6.733 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.958 -5.805 8.269 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.929 -6.983 8.166 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.152 -7.132 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.652 -8.026 6.918 1.00 0.00 H new ATOM 440 N GLY A 29 8.337 -4.525 3.330 1.00 0.00 N ATOM 441 CA GLY A 29 7.328 -3.759 2.637 1.00 0.00 C ATOM 442 C GLY A 29 8.112 -2.784 1.771 1.00 0.00 C ATOM 443 O GLY A 29 9.117 -2.245 2.236 1.00 0.00 O ATOM 0 H GLY A 29 9.289 -4.286 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.689 -4.402 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.679 -3.233 3.337 1.00 0.00 H new ATOM 447 N PRO A 30 7.760 -2.614 0.497 1.00 0.00 N ATOM 448 CA PRO A 30 8.476 -1.701 -0.368 1.00 0.00 C ATOM 449 C PRO A 30 8.094 -0.270 -0.005 1.00 0.00 C ATOM 450 O PRO A 30 6.924 0.022 0.229 1.00 0.00 O ATOM 451 CB PRO A 30 8.036 -2.059 -1.788 1.00 0.00 C ATOM 452 CG PRO A 30 6.630 -2.616 -1.571 1.00 0.00 C ATOM 453 CD PRO A 30 6.719 -3.319 -0.221 1.00 0.00 C ATOM 0 HA PRO A 30 9.559 -1.778 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 30 8.030 -1.187 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.698 -2.795 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.883 -1.822 -1.560 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.348 -3.308 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.770 -3.272 0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.966 -4.374 -0.340 1.00 0.00 H new ATOM 461 N ASN A 31 9.064 0.644 0.030 1.00 0.00 N ATOM 462 CA ASN A 31 8.755 2.063 0.050 1.00 0.00 C ATOM 463 C ASN A 31 7.768 2.382 -1.072 1.00 0.00 C ATOM 464 O ASN A 31 8.018 2.021 -2.220 1.00 0.00 O ATOM 465 CB ASN A 31 10.035 2.880 -0.135 1.00 0.00 C ATOM 466 CG ASN A 31 9.863 4.248 0.500 1.00 0.00 C ATOM 467 OD1 ASN A 31 9.639 5.263 -0.147 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.993 4.262 1.817 1.00 0.00 N ATOM 0 H ASN A 31 10.060 0.424 0.045 1.00 0.00 H new ATOM 0 HA ASN A 31 8.309 2.322 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.879 2.361 0.319 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.260 2.986 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.907 5.140 2.329 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.179 3.395 2.320 1.00 0.00 H new ATOM 475 N LEU A 32 6.641 3.019 -0.750 1.00 0.00 N ATOM 476 CA LEU A 32 5.556 3.211 -1.701 1.00 0.00 C ATOM 477 C LEU A 32 5.950 4.290 -2.723 1.00 0.00 C ATOM 478 O LEU A 32 5.485 5.424 -2.654 1.00 0.00 O ATOM 479 CB LEU A 32 4.254 3.542 -0.948 1.00 0.00 C ATOM 480 CG LEU A 32 3.866 2.529 0.146 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.553 2.958 0.805 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.659 1.126 -0.432 1.00 0.00 C ATOM 0 H LEU A 32 6.460 3.413 0.173 1.00 0.00 H new ATOM 0 HA LEU A 32 5.373 2.293 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.355 4.527 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.440 3.606 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 32 4.682 2.505 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.282 2.239 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.676 3.944 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.764 2.997 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.387 0.439 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.861 1.152 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.582 0.787 -0.903 1.00 0.00 H new ATOM 494 N HIS A 33 6.808 3.929 -3.685 1.00 0.00 N ATOM 495 CA HIS A 33 7.512 4.815 -4.614 1.00 0.00 C ATOM 496 C HIS A 33 6.633 5.759 -5.447 1.00 0.00 C ATOM 497 O HIS A 33 7.175 6.556 -6.214 1.00 0.00 O ATOM 498 CB HIS A 33 8.339 3.969 -5.595 1.00 0.00 C ATOM 499 CG HIS A 33 9.458 3.162 -4.989 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.744 3.608 -4.773 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.459 1.803 -4.818 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.496 2.538 -4.462 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.759 1.417 -4.487 1.00 0.00 N ATOM 0 H HIS A 33 7.042 2.949 -3.843 1.00 0.00 H new ATOM 0 HA HIS A 33 8.119 5.452 -3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.665 3.287 -6.114 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.763 4.633 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.607 1.148 -4.921 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.549 2.576 -4.225 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.085 0.469 -4.301 1.00 0.00 H new ATOM 511 N GLY A 34 5.305 5.659 -5.402 1.00 0.00 N ATOM 512 CA GLY A 34 4.438 6.529 -6.181 1.00 0.00 C ATOM 513 C GLY A 34 3.001 6.030 -6.194 1.00 0.00 C ATOM 514 O GLY A 34 2.079 6.817 -5.998 1.00 0.00 O ATOM 0 H GLY A 34 4.808 4.978 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.469 7.537 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.810 6.592 -7.204 1.00 0.00 H new ATOM 518 N LEU A 35 2.811 4.731 -6.445 1.00 0.00 N ATOM 519 CA LEU A 35 1.525 4.094 -6.580 1.00 0.00 C ATOM 520 C LEU A 35 0.805 4.746 -7.770 1.00 0.00 C ATOM 521 O LEU A 35 1.448 5.337 -8.639 1.00 0.00 O ATOM 522 CB LEU A 35 0.806 4.106 -5.216 1.00 0.00 C ATOM 523 CG LEU A 35 1.357 3.064 -4.218 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.784 1.677 -4.501 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.884 2.933 -4.186 1.00 0.00 C ATOM 0 H LEU A 35 3.588 4.081 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 35 1.577 3.034 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.894 5.100 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.257 3.920 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 35 1.041 3.446 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.189 0.963 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.302 1.707 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.056 1.370 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.169 2.177 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.245 2.639 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.326 3.890 -3.909 1.00 0.00 H new ATOM 537 N PHE A 36 -0.509 4.585 -7.830 1.00 0.00 N ATOM 538 CA PHE A 36 -1.451 5.332 -8.660 1.00 0.00 C ATOM 539 C PHE A 36 -0.903 5.702 -10.033 1.00 0.00 C ATOM 540 O PHE A 36 -0.495 6.839 -10.264 1.00 0.00 O ATOM 541 CB PHE A 36 -1.919 6.579 -7.912 1.00 0.00 C ATOM 542 CG PHE A 36 -2.515 6.272 -6.556 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.633 5.428 -6.480 1.00 0.00 C ATOM 544 CD2 PHE A 36 -1.891 6.707 -5.374 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.122 5.008 -5.237 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.441 6.355 -4.131 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.584 5.542 -4.063 1.00 0.00 C ATOM 0 H PHE A 36 -0.980 3.881 -7.262 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.295 4.669 -8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.075 7.257 -7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.660 7.101 -8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.120 5.100 -7.386 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.995 7.308 -5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.912 4.274 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.982 6.712 -3.221 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.044 5.331 -3.109 1.00 0.00 H new ATOM 557 N GLY A 37 -0.910 4.731 -10.943 1.00 0.00 N ATOM 558 CA GLY A 37 -0.283 4.886 -12.252 1.00 0.00 C ATOM 559 C GLY A 37 0.945 3.988 -12.379 1.00 0.00 C ATOM 560 O GLY A 37 1.246 3.506 -13.470 1.00 0.00 O ATOM 0 H GLY A 37 -1.347 3.821 -10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.001 4.640 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.006 5.927 -12.400 1.00 0.00 H new ATOM 564 N ARG A 38 1.671 3.753 -11.280 1.00 0.00 N ATOM 565 CA ARG A 38 2.802 2.837 -11.296 1.00 0.00 C ATOM 566 C ARG A 38 2.318 1.417 -11.640 1.00 0.00 C ATOM 567 O ARG A 38 1.633 0.781 -10.838 1.00 0.00 O ATOM 568 CB ARG A 38 3.575 2.904 -9.960 1.00 0.00 C ATOM 569 CG ARG A 38 5.083 3.079 -10.188 1.00 0.00 C ATOM 570 CD ARG A 38 5.439 4.500 -10.670 1.00 0.00 C ATOM 571 NE ARG A 38 5.930 5.369 -9.583 1.00 0.00 N ATOM 572 CZ ARG A 38 6.299 6.654 -9.754 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.117 7.244 -10.940 1.00 0.00 N ATOM 574 NH2 ARG A 38 6.851 7.351 -8.756 1.00 0.00 N ATOM 0 H ARG A 38 1.491 4.186 -10.374 1.00 0.00 H new ATOM 0 HA ARG A 38 3.506 3.135 -12.073 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.198 3.734 -9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.396 1.993 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.616 2.868 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.424 2.351 -10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.200 4.434 -11.448 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.559 4.956 -11.123 1.00 0.00 H new ATOM 0 HE ARG A 38 5.994 4.973 -8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.700 6.722 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.395 8.216 -11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.999 6.911 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.124 8.323 -8.903 1.00 0.00 H new ATOM 588 N LYS A 39 2.649 0.937 -12.846 1.00 0.00 N ATOM 589 CA LYS A 39 2.285 -0.396 -13.311 1.00 0.00 C ATOM 590 C LYS A 39 2.761 -1.463 -12.318 1.00 0.00 C ATOM 591 O LYS A 39 3.958 -1.605 -12.074 1.00 0.00 O ATOM 592 CB LYS A 39 2.777 -0.643 -14.748 1.00 0.00 C ATOM 593 CG LYS A 39 4.297 -0.533 -14.978 1.00 0.00 C ATOM 594 CD LYS A 39 4.675 0.708 -15.798 1.00 0.00 C ATOM 595 CE LYS A 39 6.180 0.688 -16.107 1.00 0.00 C ATOM 596 NZ LYS A 39 6.610 1.871 -16.882 1.00 0.00 N ATOM 0 H LYS A 39 3.183 1.474 -13.529 1.00 0.00 H new ATOM 0 HA LYS A 39 1.198 -0.468 -13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.456 -1.639 -15.053 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.279 0.068 -15.407 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.806 -0.498 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.650 -1.427 -15.493 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.104 0.730 -16.726 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.420 1.612 -15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.740 0.646 -15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.422 -0.217 -16.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.632 1.813 -17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.096 1.899 -17.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.405 2.735 -16.340 1.00 0.00 H new ATOM 610 N THR A 40 1.826 -2.185 -11.705 1.00 0.00 N ATOM 611 CA THR A 40 2.114 -3.157 -10.683 1.00 0.00 C ATOM 612 C THR A 40 2.704 -4.428 -11.290 1.00 0.00 C ATOM 613 O THR A 40 2.546 -4.693 -12.480 1.00 0.00 O ATOM 614 CB THR A 40 0.777 -3.419 -10.000 1.00 0.00 C ATOM 615 OG1 THR A 40 0.178 -2.170 -9.695 1.00 0.00 O ATOM 616 CG2 THR A 40 0.921 -4.302 -8.772 1.00 0.00 C ATOM 0 H THR A 40 0.832 -2.100 -11.917 1.00 0.00 H new ATOM 0 HA THR A 40 2.860 -2.802 -9.972 1.00 0.00 H new ATOM 0 HB THR A 40 0.129 -3.975 -10.678 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.076 -2.085 -8.724 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.058 -4.460 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.346 -5.263 -9.063 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.579 -3.818 -8.051 1.00 0.00 H new ATOM 624 N GLY A 41 3.353 -5.238 -10.452 1.00 0.00 N ATOM 625 CA GLY A 41 3.863 -6.536 -10.855 1.00 0.00 C ATOM 626 C GLY A 41 5.306 -6.436 -11.361 1.00 0.00 C ATOM 627 O GLY A 41 5.741 -7.264 -12.160 1.00 0.00 O ATOM 0 H GLY A 41 3.537 -5.006 -9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.818 -7.224 -10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.229 -6.951 -11.638 1.00 0.00 H new ATOM 631 N GLN A 42 6.061 -5.424 -10.909 1.00 0.00 N ATOM 632 CA GLN A 42 7.389 -5.119 -11.417 1.00 0.00 C ATOM 633 C GLN A 42 8.098 -4.198 -10.418 1.00 0.00 C ATOM 634 O GLN A 42 7.845 -2.998 -10.395 1.00 0.00 O ATOM 635 CB GLN A 42 7.288 -4.474 -12.813 1.00 0.00 C ATOM 636 CG GLN A 42 8.657 -4.421 -13.512 1.00 0.00 C ATOM 637 CD GLN A 42 9.044 -3.011 -13.947 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.710 -2.289 -13.213 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.662 -2.610 -15.156 1.00 0.00 N ATOM 0 H GLN A 42 5.754 -4.791 -10.170 1.00 0.00 H new ATOM 0 HA GLN A 42 7.972 -6.034 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.587 -5.040 -13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.887 -3.465 -12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.420 -4.810 -12.838 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.640 -5.074 -14.385 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.108 -3.230 -15.748 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.923 -1.683 -15.492 1.00 0.00 H new ATOM 648 N ALA A 43 8.972 -4.766 -9.584 1.00 0.00 N ATOM 649 CA ALA A 43 9.799 -4.026 -8.631 1.00 0.00 C ATOM 650 C ALA A 43 11.228 -4.594 -8.617 1.00 0.00 C ATOM 651 O ALA A 43 11.586 -5.332 -7.694 1.00 0.00 O ATOM 652 CB ALA A 43 9.145 -4.087 -7.250 1.00 0.00 C ATOM 0 H ALA A 43 9.127 -5.774 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 43 9.872 -2.980 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.756 -3.537 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.152 -3.641 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.061 -5.126 -6.933 1.00 0.00 H new ATOM 658 N PRO A 44 12.042 -4.288 -9.642 1.00 0.00 N ATOM 659 CA PRO A 44 13.356 -4.886 -9.836 1.00 0.00 C ATOM 660 C PRO A 44 14.332 -4.396 -8.762 1.00 0.00 C ATOM 661 O PRO A 44 15.057 -3.424 -8.958 1.00 0.00 O ATOM 662 CB PRO A 44 13.779 -4.489 -11.255 1.00 0.00 C ATOM 663 CG PRO A 44 13.053 -3.164 -11.481 1.00 0.00 C ATOM 664 CD PRO A 44 11.739 -3.365 -10.727 1.00 0.00 C ATOM 0 HA PRO A 44 13.344 -5.971 -9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.860 -4.374 -11.335 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.483 -5.240 -11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.620 -2.320 -11.088 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.886 -2.970 -12.540 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.361 -2.418 -10.341 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.970 -3.772 -11.383 1.00 0.00 H new ATOM 672 N GLY A 45 14.340 -5.080 -7.618 1.00 0.00 N ATOM 673 CA GLY A 45 15.166 -4.724 -6.474 1.00 0.00 C ATOM 674 C GLY A 45 14.786 -5.539 -5.238 1.00 0.00 C ATOM 675 O GLY A 45 15.652 -5.904 -4.448 1.00 0.00 O ATOM 0 H GLY A 45 13.764 -5.907 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.216 -4.893 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.055 -3.661 -6.259 1.00 0.00 H new ATOM 679 N PHE A 46 13.489 -5.816 -5.069 1.00 0.00 N ATOM 680 CA PHE A 46 12.963 -6.608 -3.961 1.00 0.00 C ATOM 681 C PHE A 46 11.884 -7.541 -4.508 1.00 0.00 C ATOM 682 O PHE A 46 12.024 -8.759 -4.441 1.00 0.00 O ATOM 683 CB PHE A 46 12.494 -5.662 -2.834 1.00 0.00 C ATOM 684 CG PHE A 46 11.234 -6.041 -2.072 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.292 -6.919 -0.971 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.002 -5.458 -2.428 1.00 0.00 C ATOM 687 CE1 PHE A 46 10.120 -7.229 -0.254 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.827 -5.820 -1.749 1.00 0.00 C ATOM 689 CZ PHE A 46 8.887 -6.692 -0.652 1.00 0.00 C ATOM 0 H PHE A 46 12.766 -5.489 -5.711 1.00 0.00 H new ATOM 0 HA PHE A 46 13.723 -7.245 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.307 -5.570 -2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.339 -4.674 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.236 -7.354 -0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.961 -4.731 -3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.171 -7.882 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.875 -5.426 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.986 -6.949 -0.115 1.00 0.00 H new ATOM 699 N THR A 47 10.845 -6.952 -5.102 1.00 0.00 N ATOM 700 CA THR A 47 9.630 -7.627 -5.527 1.00 0.00 C ATOM 701 C THR A 47 9.048 -8.585 -4.484 1.00 0.00 C ATOM 702 O THR A 47 9.398 -8.555 -3.307 1.00 0.00 O ATOM 703 CB THR A 47 9.709 -8.149 -6.971 1.00 0.00 C ATOM 704 OG1 THR A 47 8.396 -8.264 -7.492 1.00 0.00 O ATOM 705 CG2 THR A 47 10.435 -9.483 -7.115 1.00 0.00 C ATOM 0 H THR A 47 10.832 -5.953 -5.306 1.00 0.00 H new ATOM 0 HA THR A 47 8.855 -6.862 -5.580 1.00 0.00 H new ATOM 0 HB THR A 47 10.299 -7.425 -7.532 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.415 -8.120 -8.461 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.446 -9.780 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.459 -9.381 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.919 -10.243 -6.528 1.00 0.00 H new ATOM 713 N TYR A 48 8.035 -9.335 -4.904 1.00 0.00 N ATOM 714 CA TYR A 48 7.050 -9.910 -4.011 1.00 0.00 C ATOM 715 C TYR A 48 6.562 -11.232 -4.585 1.00 0.00 C ATOM 716 O TYR A 48 6.887 -11.585 -5.716 1.00 0.00 O ATOM 717 CB TYR A 48 5.895 -8.917 -3.786 1.00 0.00 C ATOM 718 CG TYR A 48 5.768 -7.801 -4.809 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.540 -6.645 -4.658 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.841 -7.868 -5.853 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.424 -5.580 -5.569 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.615 -6.754 -6.678 1.00 0.00 C ATOM 723 CZ TYR A 48 5.433 -5.623 -6.565 1.00 0.00 C ATOM 724 OH TYR A 48 5.388 -4.671 -7.540 1.00 0.00 O ATOM 0 H TYR A 48 7.878 -9.560 -5.886 1.00 0.00 H new ATOM 0 HA TYR A 48 7.499 -10.109 -3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.959 -9.476 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.015 -8.468 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.233 -6.569 -3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.294 -8.783 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.092 -4.734 -5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.811 -6.770 -7.399 1.00 0.00 H new ATOM 0 HH TYR A 48 5.946 -3.909 -7.279 1.00 0.00 H new ATOM 734 N THR A 49 5.787 -11.957 -3.777 1.00 0.00 N ATOM 735 CA THR A 49 5.289 -13.278 -4.143 1.00 0.00 C ATOM 736 C THR A 49 4.550 -13.221 -5.474 1.00 0.00 C ATOM 737 O THR A 49 3.805 -12.274 -5.704 1.00 0.00 O ATOM 738 CB THR A 49 4.342 -13.836 -3.077 1.00 0.00 C ATOM 739 OG1 THR A 49 3.200 -13.012 -2.906 1.00 0.00 O ATOM 740 CG2 THR A 49 5.037 -13.991 -1.726 1.00 0.00 C ATOM 0 H THR A 49 5.489 -11.643 -2.853 1.00 0.00 H new ATOM 0 HA THR A 49 6.155 -13.935 -4.226 1.00 0.00 H new ATOM 0 HB THR A 49 4.030 -14.817 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.437 -13.563 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.331 -14.389 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.880 -14.675 -1.827 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.397 -13.019 -1.388 1.00 0.00 H new ATOM 748 N ASP A 50 4.710 -14.237 -6.317 1.00 0.00 N ATOM 749 CA ASP A 50 4.210 -14.276 -7.686 1.00 0.00 C ATOM 750 C ASP A 50 2.707 -14.045 -7.777 1.00 0.00 C ATOM 751 O ASP A 50 2.243 -13.483 -8.759 1.00 0.00 O ATOM 752 CB ASP A 50 4.618 -15.604 -8.329 1.00 0.00 C ATOM 753 CG ASP A 50 6.123 -15.790 -8.236 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.564 -16.046 -7.092 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.794 -15.603 -9.274 1.00 0.00 O ATOM 0 H ASP A 50 5.210 -15.087 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 50 4.662 -13.451 -8.236 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.110 -16.429 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.306 -15.622 -9.373 1.00 0.00 H new ATOM 760 N ALA A 51 1.925 -14.420 -6.766 1.00 0.00 N ATOM 761 CA ALA A 51 0.499 -14.099 -6.758 1.00 0.00 C ATOM 762 C ALA A 51 0.280 -12.590 -6.757 1.00 0.00 C ATOM 763 O ALA A 51 -0.649 -12.093 -7.394 1.00 0.00 O ATOM 764 CB ALA A 51 -0.177 -14.757 -5.552 1.00 0.00 C ATOM 0 H ALA A 51 2.250 -14.940 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 51 0.046 -14.494 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.239 -14.513 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.053 -15.838 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.279 -14.388 -4.633 1.00 0.00 H new ATOM 770 N ASN A 52 1.141 -11.856 -6.052 1.00 0.00 N ATOM 771 CA ASN A 52 1.134 -10.410 -6.124 1.00 0.00 C ATOM 772 C ASN A 52 1.792 -9.954 -7.430 1.00 0.00 C ATOM 773 O ASN A 52 1.206 -9.192 -8.192 1.00 0.00 O ATOM 774 CB ASN A 52 1.819 -9.828 -4.884 1.00 0.00 C ATOM 775 CG ASN A 52 1.532 -8.337 -4.765 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.576 -7.611 -5.751 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.223 -7.866 -3.565 1.00 0.00 N ATOM 0 H ASN A 52 1.848 -12.246 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 52 0.110 -10.037 -6.132 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.467 -10.344 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.895 -9.993 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.014 -6.875 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.194 -8.495 -2.762 1.00 0.00 H new ATOM 784 N LYS A 53 2.998 -10.441 -7.727 1.00 0.00 N ATOM 785 CA LYS A 53 3.779 -9.949 -8.851 1.00 0.00 C ATOM 786 C LYS A 53 3.054 -10.169 -10.183 1.00 0.00 C ATOM 787 O LYS A 53 3.206 -9.394 -11.121 1.00 0.00 O ATOM 788 CB LYS A 53 5.173 -10.583 -8.876 1.00 0.00 C ATOM 789 CG LYS A 53 6.150 -9.618 -9.560 1.00 0.00 C ATOM 790 CD LYS A 53 7.428 -10.322 -10.024 1.00 0.00 C ATOM 791 CE LYS A 53 7.196 -10.945 -11.410 1.00 0.00 C ATOM 792 NZ LYS A 53 8.358 -11.729 -11.874 1.00 0.00 N ATOM 0 H LYS A 53 3.454 -11.183 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 53 3.899 -8.874 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.506 -10.799 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.145 -11.532 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.661 -9.155 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.409 -8.816 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.253 -9.611 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.710 -11.095 -9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.317 -11.589 -11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.983 -10.155 -12.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.155 -12.129 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.192 -11.111 -11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.547 -12.500 -11.202 1.00 0.00 H new ATOM 806 N ASN A 54 2.260 -11.232 -10.273 1.00 0.00 N ATOM 807 CA ASN A 54 1.493 -11.564 -11.460 1.00 0.00 C ATOM 808 C ASN A 54 0.364 -10.553 -11.711 1.00 0.00 C ATOM 809 O ASN A 54 -0.240 -10.576 -12.777 1.00 0.00 O ATOM 810 CB ASN A 54 0.927 -12.985 -11.325 1.00 0.00 C ATOM 811 CG ASN A 54 0.095 -13.409 -12.530 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.117 -13.575 -12.427 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.737 -13.612 -13.678 1.00 0.00 N ATOM 0 H ASN A 54 2.132 -11.895 -9.508 1.00 0.00 H new ATOM 0 HA ASN A 54 2.160 -11.519 -12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.750 -13.687 -11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.312 -13.042 -10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.221 -13.914 -14.504 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.745 -13.465 -13.731 1.00 0.00 H new ATOM 820 N LYS A 55 0.039 -9.694 -10.733 1.00 0.00 N ATOM 821 CA LYS A 55 -1.167 -8.871 -10.760 1.00 0.00 C ATOM 822 C LYS A 55 -1.358 -8.100 -12.065 1.00 0.00 C ATOM 823 O LYS A 55 -2.449 -8.119 -12.628 1.00 0.00 O ATOM 824 CB LYS A 55 -1.164 -7.893 -9.583 1.00 0.00 C ATOM 825 CG LYS A 55 -1.698 -8.504 -8.280 1.00 0.00 C ATOM 826 CD LYS A 55 -3.234 -8.423 -8.156 1.00 0.00 C ATOM 827 CE LYS A 55 -3.929 -9.790 -8.028 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.316 -10.367 -9.332 1.00 0.00 N ATOM 0 H LYS A 55 0.611 -9.554 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.005 -9.563 -10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.147 -7.537 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.768 -7.023 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.390 -9.548 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.244 -7.991 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.486 -7.817 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.631 -7.906 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.263 -10.483 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.818 -9.682 -7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.078 -11.061 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.649 -9.609 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.494 -10.837 -9.761 1.00 0.00 H new ATOM 842 N GLY A 56 -0.331 -7.361 -12.493 1.00 0.00 N ATOM 843 CA GLY A 56 -0.398 -6.550 -13.701 1.00 0.00 C ATOM 844 C GLY A 56 -1.471 -5.456 -13.641 1.00 0.00 C ATOM 845 O GLY A 56 -1.941 -5.006 -14.684 1.00 0.00 O ATOM 0 H GLY A 56 0.566 -7.311 -12.010 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.574 -6.087 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.598 -7.198 -14.554 1.00 0.00 H new ATOM 849 N ILE A 57 -1.850 -5.005 -12.438 1.00 0.00 N ATOM 850 CA ILE A 57 -2.704 -3.836 -12.272 1.00 0.00 C ATOM 851 C ILE A 57 -1.843 -2.567 -12.359 1.00 0.00 C ATOM 852 O ILE A 57 -0.741 -2.589 -12.904 1.00 0.00 O ATOM 853 CB ILE A 57 -3.529 -3.950 -10.972 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.642 -4.001 -9.719 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.466 -5.164 -11.050 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.399 -3.779 -8.414 1.00 0.00 C ATOM 0 H ILE A 57 -1.571 -5.443 -11.560 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.437 -3.776 -13.076 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.133 -3.047 -10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.144 -4.970 -9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.862 -3.245 -9.808 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.044 -5.237 -10.129 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.144 -5.047 -11.896 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.876 -6.071 -11.181 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.703 -3.830 -7.577 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.875 -2.798 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.161 -4.550 -8.300 1.00 0.00 H new ATOM 868 N THR A 58 -2.330 -1.435 -11.847 1.00 0.00 N ATOM 869 CA THR A 58 -1.659 -0.154 -11.934 1.00 0.00 C ATOM 870 C THR A 58 -1.849 0.598 -10.609 1.00 0.00 C ATOM 871 O THR A 58 -2.036 1.815 -10.596 1.00 0.00 O ATOM 872 CB THR A 58 -2.259 0.544 -13.163 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.288 -0.356 -14.255 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.465 1.765 -13.581 1.00 0.00 C ATOM 0 H THR A 58 -3.221 -1.391 -11.352 1.00 0.00 H new ATOM 0 HA THR A 58 -0.579 -0.220 -12.069 1.00 0.00 H new ATOM 0 HB THR A 58 -3.263 0.864 -12.886 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.673 0.091 -15.037 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.932 2.221 -14.454 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.446 2.484 -12.762 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.445 1.469 -13.828 1.00 0.00 H new ATOM 882 N TRP A 59 -1.834 -0.172 -9.510 1.00 0.00 N ATOM 883 CA TRP A 59 -2.137 0.224 -8.139 1.00 0.00 C ATOM 884 C TRP A 59 -2.955 1.521 -8.053 1.00 0.00 C ATOM 885 O TRP A 59 -2.467 2.547 -7.584 1.00 0.00 O ATOM 886 CB TRP A 59 -0.833 0.255 -7.331 1.00 0.00 C ATOM 887 CG TRP A 59 -0.394 -1.048 -6.721 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.853 -1.556 -6.824 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.122 -1.976 -5.846 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.929 -2.753 -6.146 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.250 -3.054 -5.503 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.422 -2.026 -5.295 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.641 -4.113 -4.668 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.802 -3.042 -4.398 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.913 -4.080 -4.078 1.00 0.00 C ATOM 0 H TRP A 59 -1.591 -1.161 -9.568 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.795 -0.520 -7.691 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.036 0.613 -7.982 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.944 0.987 -6.531 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.669 -1.093 -7.358 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.759 -3.345 -6.123 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.141 -1.267 -5.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.028 -4.941 -4.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.786 -3.023 -3.952 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.207 -4.850 -3.380 1.00 0.00 H new ATOM 906 N LYS A 60 -4.208 1.453 -8.517 1.00 0.00 N ATOM 907 CA LYS A 60 -5.117 2.594 -8.585 1.00 0.00 C ATOM 908 C LYS A 60 -5.951 2.703 -7.302 1.00 0.00 C ATOM 909 O LYS A 60 -6.024 1.746 -6.522 1.00 0.00 O ATOM 910 CB LYS A 60 -6.043 2.478 -9.810 1.00 0.00 C ATOM 911 CG LYS A 60 -6.689 1.087 -9.955 1.00 0.00 C ATOM 912 CD LYS A 60 -6.084 0.260 -11.100 1.00 0.00 C ATOM 913 CE LYS A 60 -6.957 0.273 -12.368 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.458 1.617 -12.724 1.00 0.00 N ATOM 0 H LYS A 60 -4.622 0.587 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.516 3.498 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.829 3.230 -9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.472 2.702 -10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.574 0.540 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.759 1.206 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.095 0.650 -11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.949 -0.769 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.378 -0.123 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.805 -0.396 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.641 1.660 -13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.340 1.807 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.746 2.331 -12.469 1.00 0.00 H new ATOM 928 N GLU A 61 -6.691 3.811 -7.151 1.00 0.00 N ATOM 929 CA GLU A 61 -7.660 4.089 -6.076 1.00 0.00 C ATOM 930 C GLU A 61 -8.887 3.167 -6.067 1.00 0.00 C ATOM 931 O GLU A 61 -9.946 3.544 -5.570 1.00 0.00 O ATOM 932 CB GLU A 61 -8.151 5.547 -6.160 1.00 0.00 C ATOM 933 CG GLU A 61 -7.088 6.642 -6.013 1.00 0.00 C ATOM 934 CD GLU A 61 -6.474 7.086 -7.332 1.00 0.00 C ATOM 935 OE1 GLU A 61 -6.229 6.215 -8.196 1.00 0.00 O ATOM 936 OE2 GLU A 61 -6.291 8.319 -7.452 1.00 0.00 O ATOM 0 H GLU A 61 -6.627 4.584 -7.814 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.113 3.903 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.649 5.683 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.904 5.698 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.536 7.506 -5.523 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.295 6.280 -5.358 1.00 0.00 H new ATOM 943 N GLU A 62 -8.741 1.954 -6.585 1.00 0.00 N ATOM 944 CA GLU A 62 -9.770 0.951 -6.707 1.00 0.00 C ATOM 945 C GLU A 62 -9.198 -0.329 -6.096 1.00 0.00 C ATOM 946 O GLU A 62 -9.717 -0.889 -5.131 1.00 0.00 O ATOM 947 CB GLU A 62 -10.125 0.781 -8.200 1.00 0.00 C ATOM 948 CG GLU A 62 -10.167 2.111 -8.981 1.00 0.00 C ATOM 949 CD GLU A 62 -10.447 1.875 -10.462 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.512 1.302 -10.763 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.554 2.216 -11.274 1.00 0.00 O ATOM 0 H GLU A 62 -7.844 1.633 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.690 1.221 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.395 0.119 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.096 0.291 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.938 2.757 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.217 2.633 -8.867 1.00 0.00 H new ATOM 958 N THR A 63 -8.050 -0.747 -6.631 1.00 0.00 N ATOM 959 CA THR A 63 -7.350 -1.941 -6.224 1.00 0.00 C ATOM 960 C THR A 63 -6.759 -1.743 -4.836 1.00 0.00 C ATOM 961 O THR A 63 -6.742 -2.675 -4.038 1.00 0.00 O ATOM 962 CB THR A 63 -6.271 -2.234 -7.270 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.547 -1.051 -7.583 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.927 -2.730 -8.562 1.00 0.00 C ATOM 0 H THR A 63 -7.577 -0.241 -7.380 1.00 0.00 H new ATOM 0 HA THR A 63 -8.026 -2.794 -6.165 1.00 0.00 H new ATOM 0 HB THR A 63 -5.599 -2.988 -6.860 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.879 -0.883 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.157 -2.938 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.489 -3.641 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.602 -1.965 -8.944 1.00 0.00 H new ATOM 972 N LEU A 64 -6.280 -0.530 -4.532 1.00 0.00 N ATOM 973 CA LEU A 64 -5.786 -0.252 -3.194 1.00 0.00 C ATOM 974 C LEU A 64 -6.904 -0.397 -2.166 1.00 0.00 C ATOM 975 O LEU A 64 -6.682 -0.955 -1.098 1.00 0.00 O ATOM 976 CB LEU A 64 -5.161 1.144 -3.115 1.00 0.00 C ATOM 977 CG LEU A 64 -3.638 1.094 -3.308 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.316 1.323 -4.776 1.00 0.00 C ATOM 979 CD2 LEU A 64 -2.905 2.132 -2.454 1.00 0.00 C ATOM 0 H LEU A 64 -6.228 0.253 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.010 -0.982 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.604 1.785 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.391 1.592 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.294 0.111 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.236 1.289 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.788 0.546 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.693 2.299 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.832 2.054 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.245 3.132 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.116 1.950 -1.400 1.00 0.00 H new ATOM 991 N MET A 65 -8.100 0.101 -2.478 1.00 0.00 N ATOM 992 CA MET A 65 -9.243 -0.040 -1.591 1.00 0.00 C ATOM 993 C MET A 65 -9.514 -1.520 -1.329 1.00 0.00 C ATOM 994 O MET A 65 -9.584 -1.928 -0.174 1.00 0.00 O ATOM 995 CB MET A 65 -10.470 0.679 -2.156 1.00 0.00 C ATOM 996 CG MET A 65 -10.157 2.173 -2.234 1.00 0.00 C ATOM 997 SD MET A 65 -11.558 3.271 -1.951 1.00 0.00 S ATOM 998 CE MET A 65 -10.620 4.583 -1.152 1.00 0.00 C ATOM 0 H MET A 65 -8.298 0.606 -3.342 1.00 0.00 H new ATOM 0 HA MET A 65 -9.015 0.435 -0.637 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.716 0.291 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.338 0.506 -1.520 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.383 2.404 -1.502 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.740 2.389 -3.218 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.257 5.458 -1.022 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.272 4.240 -0.178 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.763 4.846 -1.771 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.645 -2.324 -2.390 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.921 -3.752 -2.258 1.00 0.00 C ATOM 1010 C GLU A 66 -8.854 -4.452 -1.400 1.00 0.00 C ATOM 1011 O GLU A 66 -9.166 -5.190 -0.463 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.038 -4.374 -3.658 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.753 -5.732 -3.613 1.00 0.00 C ATOM 1014 CD GLU A 66 -10.860 -6.383 -4.987 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.561 -5.690 -5.984 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.218 -7.580 -5.010 1.00 0.00 O ATOM 0 H GLU A 66 -9.563 -2.003 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.868 -3.890 -1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.584 -3.696 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.043 -4.499 -4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.215 -6.399 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.753 -5.599 -3.199 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.580 -4.196 -1.710 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.442 -4.731 -0.975 1.00 0.00 C ATOM 1025 C TYR A 67 -6.566 -4.345 0.493 1.00 0.00 C ATOM 1026 O TYR A 67 -6.776 -5.213 1.323 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.152 -4.202 -1.610 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.847 -4.746 -1.058 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.611 -6.133 -1.011 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.773 -3.864 -0.851 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.321 -6.634 -0.769 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.480 -4.369 -0.644 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.247 -5.750 -0.588 1.00 0.00 C ATOM 1034 OH TYR A 67 0.029 -6.223 -0.517 1.00 0.00 O ATOM 0 H TYR A 67 -7.311 -3.600 -2.493 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.419 -5.820 -1.025 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.186 -4.417 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.140 -3.117 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.431 -6.820 -1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.942 -2.797 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.156 -7.700 -0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.653 -3.684 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 67 0.425 -5.968 0.342 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.467 -3.064 0.838 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.485 -2.635 2.234 1.00 0.00 C ATOM 1046 C LEU A 68 -7.734 -3.107 2.986 1.00 0.00 C ATOM 1047 O LEU A 68 -7.645 -3.426 4.171 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.301 -1.112 2.345 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.834 -0.645 2.355 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.084 -1.171 3.583 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.053 -1.036 1.099 1.00 0.00 C ATOM 0 H LEU A 68 -6.373 -2.302 0.167 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.638 -3.117 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.815 -0.635 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.785 -0.766 3.258 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.891 0.443 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.052 -0.821 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.568 -0.806 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.098 -2.261 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.029 -0.672 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.046 -2.121 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.527 -0.593 0.223 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.885 -3.176 2.313 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.095 -3.760 2.874 1.00 0.00 C ATOM 1065 C GLU A 69 -9.824 -5.209 3.308 1.00 0.00 C ATOM 1066 O GLU A 69 -10.221 -5.610 4.400 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.228 -3.680 1.835 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.613 -4.086 2.363 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.480 -2.913 2.789 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.743 -2.011 1.954 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.056 -2.969 3.895 1.00 0.00 O ATOM 0 H GLU A 69 -8.999 -2.826 1.362 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.404 -3.203 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.284 -2.660 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.974 -4.321 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.135 -4.648 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.484 -4.757 3.212 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.180 -6.011 2.449 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.085 -7.456 2.651 1.00 0.00 C ATOM 1080 C ASN A 70 -7.840 -8.046 1.971 1.00 0.00 C ATOM 1081 O ASN A 70 -7.955 -8.829 1.030 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.378 -8.077 2.095 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.903 -9.250 2.915 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.184 -9.868 3.695 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.180 -9.578 2.736 1.00 0.00 N ATOM 0 H ASN A 70 -8.716 -5.677 1.604 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.978 -7.682 3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.148 -7.307 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.198 -8.412 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.583 -10.359 3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.756 -9.048 2.082 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.620 -7.716 2.411 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.447 -7.827 1.552 1.00 0.00 C ATOM 1094 C PRO A 71 -5.056 -9.281 1.316 1.00 0.00 C ATOM 1095 O PRO A 71 -4.740 -9.680 0.197 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.350 -6.997 2.222 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.803 -6.880 3.678 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.326 -7.016 3.641 1.00 0.00 C ATOM 0 HA PRO A 71 -5.641 -7.442 0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.379 -7.485 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.252 -6.017 1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.354 -7.660 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.504 -5.924 4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.692 -7.570 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.808 -6.039 3.662 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.146 -10.090 2.371 1.00 0.00 N ATOM 1107 CA LYS A 72 -4.926 -11.524 2.291 1.00 0.00 C ATOM 1108 C LYS A 72 -5.988 -12.209 1.415 1.00 0.00 C ATOM 1109 O LYS A 72 -5.794 -13.365 1.034 1.00 0.00 O ATOM 1110 CB LYS A 72 -4.911 -12.118 3.709 1.00 0.00 C ATOM 1111 CG LYS A 72 -4.123 -13.438 3.777 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.864 -14.550 4.538 1.00 0.00 C ATOM 1113 CE LYS A 72 -6.092 -15.117 3.804 1.00 0.00 C ATOM 1114 NZ LYS A 72 -5.770 -15.626 2.454 1.00 0.00 N ATOM 0 H LYS A 72 -5.375 -9.762 3.309 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.961 -11.704 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.470 -11.398 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.935 -12.291 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.911 -13.779 2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.162 -13.255 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.167 -15.364 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.182 -14.161 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.524 -15.923 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.851 -14.339 3.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.346 -16.468 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.975 -14.891 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.762 -15.878 2.409 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.120 -11.545 1.146 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.143 -12.026 0.230 1.00 0.00 C ATOM 1130 C LYS A 73 -7.757 -11.606 -1.186 1.00 0.00 C ATOM 1131 O LYS A 73 -7.673 -12.460 -2.063 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.520 -11.461 0.614 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.610 -12.532 0.750 1.00 0.00 C ATOM 1134 CD LYS A 73 -10.607 -13.134 2.162 1.00 0.00 C ATOM 1135 CE LYS A 73 -11.649 -14.258 2.270 1.00 0.00 C ATOM 1136 NZ LYS A 73 -11.931 -14.627 3.675 1.00 0.00 N ATOM 0 H LYS A 73 -7.347 -10.645 1.569 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.210 -13.113 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.432 -10.923 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.828 -10.735 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.585 -12.094 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.447 -13.319 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.616 -13.525 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.824 -12.357 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.573 -13.941 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.292 -15.135 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.639 -15.388 3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.055 -14.954 4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.297 -13.798 4.185 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.522 -10.303 -1.406 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.150 -9.778 -2.710 1.00 0.00 C ATOM 1152 C TYR A 74 -5.973 -10.556 -3.311 1.00 0.00 C ATOM 1153 O TYR A 74 -5.984 -10.882 -4.498 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.839 -8.281 -2.584 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.700 -7.551 -3.909 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.759 -7.595 -4.831 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.526 -6.843 -4.235 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.620 -7.007 -6.096 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.376 -6.275 -5.515 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.431 -6.350 -6.439 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.274 -5.853 -7.697 1.00 0.00 O ATOM 0 H TYR A 74 -7.587 -9.591 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.987 -9.904 -3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.630 -7.806 -2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.914 -8.162 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.684 -8.084 -4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.740 -6.736 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.431 -7.061 -6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.453 -5.784 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.144 -5.823 -8.148 1.00 0.00 H new ATOM 1171 N ILE A 75 -4.946 -10.828 -2.497 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.721 -11.494 -2.923 1.00 0.00 C ATOM 1173 C ILE A 75 -3.292 -12.516 -1.855 1.00 0.00 C ATOM 1174 O ILE A 75 -2.489 -12.193 -0.977 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.630 -10.442 -3.198 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.095 -9.413 -4.247 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.367 -11.139 -3.711 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.116 -8.257 -4.474 1.00 0.00 C ATOM 0 H ILE A 75 -4.949 -10.585 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.890 -12.041 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.424 -9.918 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.259 -9.926 -5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.056 -9.004 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.595 -10.395 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.010 -11.844 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.596 -11.674 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.520 -7.580 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.970 -7.715 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.160 -8.652 -4.818 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.789 -13.763 -1.906 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.458 -14.780 -0.920 1.00 0.00 C ATOM 1192 C PRO A 76 -2.016 -15.255 -1.123 1.00 0.00 C ATOM 1193 O PRO A 76 -1.762 -16.222 -1.835 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.493 -15.890 -1.126 1.00 0.00 C ATOM 1195 CG PRO A 76 -4.816 -15.792 -2.617 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.706 -14.294 -2.904 1.00 0.00 C ATOM 0 HA PRO A 76 -3.499 -14.415 0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.091 -16.869 -0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.379 -15.734 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.114 -16.369 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.814 -16.172 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.332 -14.116 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.681 -13.811 -2.836 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.070 -14.562 -0.489 1.00 0.00 N ATOM 1205 CA GLY A 77 0.358 -14.825 -0.635 1.00 0.00 C ATOM 1206 C GLY A 77 1.193 -13.638 -0.161 1.00 0.00 C ATOM 1207 O GLY A 77 2.290 -13.820 0.363 1.00 0.00 O ATOM 0 H GLY A 77 -1.279 -13.793 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.627 -15.713 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.586 -15.038 -1.679 1.00 0.00 H new ATOM 1211 N THR A 78 0.663 -12.420 -0.326 1.00 0.00 N ATOM 1212 CA THR A 78 1.292 -11.191 0.128 1.00 0.00 C ATOM 1213 C THR A 78 1.734 -11.334 1.592 1.00 0.00 C ATOM 1214 O THR A 78 0.905 -11.535 2.481 1.00 0.00 O ATOM 1215 CB THR A 78 0.306 -10.029 -0.114 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.927 -8.768 0.044 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.935 -10.093 0.786 1.00 0.00 C ATOM 0 H THR A 78 -0.233 -12.267 -0.789 1.00 0.00 H new ATOM 0 HA THR A 78 2.201 -10.976 -0.433 1.00 0.00 H new ATOM 0 HB THR A 78 -0.019 -10.146 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.318 -8.063 -0.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.588 -9.248 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.471 -11.024 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.629 -10.053 1.831 1.00 0.00 H new ATOM 1225 N LYS A 79 3.038 -11.223 1.869 1.00 0.00 N ATOM 1226 CA LYS A 79 3.565 -11.281 3.232 1.00 0.00 C ATOM 1227 C LYS A 79 3.333 -9.941 3.944 1.00 0.00 C ATOM 1228 O LYS A 79 4.242 -9.392 4.562 1.00 0.00 O ATOM 1229 CB LYS A 79 5.055 -11.658 3.209 1.00 0.00 C ATOM 1230 CG LYS A 79 5.282 -13.071 2.654 1.00 0.00 C ATOM 1231 CD LYS A 79 6.775 -13.432 2.579 1.00 0.00 C ATOM 1232 CE LYS A 79 7.444 -13.470 3.965 1.00 0.00 C ATOM 1233 NZ LYS A 79 8.834 -13.968 3.903 1.00 0.00 N ATOM 0 H LYS A 79 3.754 -11.091 1.155 1.00 0.00 H new ATOM 0 HA LYS A 79 3.036 -12.053 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.602 -10.937 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.460 -11.596 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.766 -13.795 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.842 -13.144 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.886 -14.404 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.290 -12.705 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.438 -12.469 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.861 -14.107 4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.243 -13.976 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.840 -14.933 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.399 -13.346 3.290 1.00 0.00 H new ATOM 1247 N MET A 80 2.113 -9.414 3.844 1.00 0.00 N ATOM 1248 CA MET A 80 1.761 -8.083 4.310 1.00 0.00 C ATOM 1249 C MET A 80 1.284 -8.086 5.760 1.00 0.00 C ATOM 1250 O MET A 80 1.389 -7.093 6.472 1.00 0.00 O ATOM 1251 CB MET A 80 0.766 -7.477 3.326 1.00 0.00 C ATOM 1252 CG MET A 80 0.182 -6.151 3.807 1.00 0.00 C ATOM 1253 SD MET A 80 0.210 -4.806 2.594 1.00 0.00 S ATOM 1254 CE MET A 80 -1.466 -4.149 2.755 1.00 0.00 C ATOM 0 H MET A 80 1.329 -9.915 3.427 1.00 0.00 H new ATOM 0 HA MET A 80 2.645 -7.446 4.330 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.260 -7.323 2.367 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.046 -8.185 3.157 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.850 -6.318 4.115 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.731 -5.831 4.692 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.591 -3.302 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.187 -4.926 2.500 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.632 -3.822 3.782 1.00 0.00 H new ATOM 1264 N ILE A 81 0.782 -9.232 6.201 1.00 0.00 N ATOM 1265 CA ILE A 81 0.361 -9.474 7.565 1.00 0.00 C ATOM 1266 C ILE A 81 -0.608 -8.381 8.032 1.00 0.00 C ATOM 1267 O ILE A 81 -0.330 -7.623 8.958 1.00 0.00 O ATOM 1268 CB ILE A 81 1.606 -9.634 8.459 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.718 -10.502 7.834 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.240 -10.159 9.856 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.322 -11.969 7.631 1.00 0.00 C ATOM 0 H ILE A 81 0.655 -10.042 5.595 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.200 -10.406 7.634 1.00 0.00 H new ATOM 0 HB ILE A 81 2.015 -8.628 8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.000 -10.076 6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.600 -10.459 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.145 -10.258 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.558 -9.460 10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.757 -11.132 9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.156 -12.513 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.069 -12.414 8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.459 -12.024 6.967 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.761 -8.302 7.364 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.769 -7.286 7.617 1.00 0.00 C ATOM 1285 C PHE A 82 -4.133 -7.915 7.329 1.00 0.00 C ATOM 1286 O PHE A 82 -4.231 -8.752 6.432 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.476 -6.064 6.729 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.713 -4.735 7.414 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -4.014 -4.353 7.784 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -1.612 -3.967 7.840 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -4.201 -3.270 8.657 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -1.806 -2.851 8.673 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.102 -2.514 9.097 1.00 0.00 C ATOM 0 H PHE A 82 -2.018 -8.954 6.623 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.760 -6.938 8.650 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.439 -6.110 6.396 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.100 -6.118 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.867 -4.891 7.398 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.615 -4.236 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.196 -3.016 8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.961 -2.255 8.986 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.253 -1.675 9.760 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.167 -7.558 8.097 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.496 -8.145 7.982 1.00 0.00 C ATOM 1305 C ALA A 83 -7.512 -7.256 8.701 1.00 0.00 C ATOM 1306 O ALA A 83 -7.847 -7.505 9.856 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.484 -9.562 8.569 1.00 0.00 C ATOM 0 H ALA A 83 -5.099 -6.845 8.823 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.784 -8.213 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.478 -10.000 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.768 -10.176 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.197 -9.518 9.620 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.997 -6.217 8.014 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.891 -5.232 8.606 1.00 0.00 C ATOM 1315 C GLY A 84 -8.086 -4.177 9.365 1.00 0.00 C ATOM 1316 O GLY A 84 -7.013 -4.471 9.888 1.00 0.00 O ATOM 0 H GLY A 84 -7.778 -6.040 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.486 -4.755 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.589 -5.724 9.283 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.585 -2.936 9.383 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.875 -1.778 9.922 1.00 0.00 C ATOM 1322 C ILE A 85 -8.752 -0.986 10.903 1.00 0.00 C ATOM 1323 O ILE A 85 -8.350 -0.741 12.040 1.00 0.00 O ATOM 1324 CB ILE A 85 -7.288 -0.945 8.765 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.541 0.260 9.347 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -8.311 -0.520 7.698 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.469 0.792 8.399 1.00 0.00 C ATOM 0 H ILE A 85 -9.509 -2.708 9.017 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.028 -2.108 10.524 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.597 -1.592 8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.254 1.054 9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.078 -0.024 10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.809 0.061 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.761 -1.407 7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.089 0.087 8.161 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.969 1.645 8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.739 0.008 8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.933 1.103 7.463 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.966 -0.622 10.484 1.00 0.00 N ATOM 1340 CA LYS A 86 -11.045 -0.206 11.370 1.00 0.00 C ATOM 1341 C LYS A 86 -12.325 -0.859 10.869 1.00 0.00 C ATOM 1342 O LYS A 86 -12.852 -1.776 11.491 1.00 0.00 O ATOM 1343 CB LYS A 86 -11.221 1.324 11.389 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.354 2.014 12.445 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.772 3.489 12.585 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.008 4.214 13.702 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.781 4.302 14.956 1.00 0.00 N ATOM 0 H LYS A 86 -10.227 -0.609 9.498 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.809 -0.513 12.389 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.974 1.725 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.268 1.561 11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.459 1.505 13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.303 1.950 12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.600 4.003 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.842 3.542 12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.071 3.692 13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.750 5.219 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.219 4.800 15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.664 4.824 14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.005 3.344 15.294 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.833 -0.343 9.748 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.147 -0.682 9.234 1.00 0.00 C ATOM 1363 C LYS A 87 -14.273 -0.144 7.813 1.00 0.00 C ATOM 1364 O LYS A 87 -14.457 -0.922 6.884 1.00 0.00 O ATOM 1365 CB LYS A 87 -15.219 -0.113 10.177 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.646 -0.409 9.698 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.609 -0.308 10.889 1.00 0.00 C ATOM 1368 CE LYS A 87 -19.069 -0.403 10.425 1.00 0.00 C ATOM 1369 NZ LYS A 87 -20.008 -0.489 11.563 1.00 0.00 N ATOM 0 H LYS A 87 -12.331 0.330 9.169 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.289 -1.762 9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.080 -0.532 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.086 0.965 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.935 0.298 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.696 -1.405 9.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.397 -1.106 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.450 0.636 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.314 0.469 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.191 -1.279 9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.982 -0.552 11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.792 -1.335 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.911 0.359 12.158 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.171 1.179 7.648 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.251 1.839 6.348 1.00 0.00 C ATOM 1385 C LYS A 88 -13.408 3.116 6.366 1.00 0.00 C ATOM 1386 O LYS A 88 -12.481 3.245 5.576 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.725 2.102 5.967 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.130 1.527 4.599 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.992 -0.002 4.540 1.00 0.00 C ATOM 1390 CE LYS A 88 -16.752 -0.620 3.363 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.184 -1.931 2.995 1.00 0.00 N ATOM 0 H LYS A 88 -14.029 1.826 8.424 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.841 1.188 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.370 1.674 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.903 3.177 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.162 1.804 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.510 1.975 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.937 -0.265 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.361 -0.432 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.803 -0.736 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.710 0.052 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.955 -2.605 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.604 -1.830 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.592 -2.284 3.774 1.00 0.00 H new ATOM 1405 N THR A 89 -13.695 4.036 7.291 1.00 0.00 N ATOM 1406 CA THR A 89 -13.033 5.329 7.428 1.00 0.00 C ATOM 1407 C THR A 89 -11.525 5.252 7.156 1.00 0.00 C ATOM 1408 O THR A 89 -11.012 5.935 6.272 1.00 0.00 O ATOM 1409 CB THR A 89 -13.343 5.852 8.837 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.685 5.521 9.153 1.00 0.00 O ATOM 1411 CG2 THR A 89 -13.139 7.363 8.960 1.00 0.00 C ATOM 0 H THR A 89 -14.423 3.892 7.990 1.00 0.00 H new ATOM 0 HA THR A 89 -13.413 6.021 6.676 1.00 0.00 H new ATOM 0 HB THR A 89 -12.649 5.383 9.535 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.899 5.847 10.052 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.372 7.680 9.976 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.102 7.610 8.732 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.797 7.877 8.260 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.832 4.355 7.862 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.383 4.244 7.779 1.00 0.00 C ATOM 1421 C GLU A 90 -8.902 3.749 6.417 1.00 0.00 C ATOM 1422 O GLU A 90 -7.871 4.197 5.915 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.884 3.393 8.948 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.520 3.890 9.431 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.234 3.503 10.874 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -7.914 4.045 11.768 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.301 2.702 11.090 1.00 0.00 O ATOM 0 H GLU A 90 -11.263 3.690 8.504 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.945 5.238 7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.603 3.433 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.809 2.350 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.740 3.482 8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.478 4.975 9.334 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.684 2.872 5.782 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.443 2.470 4.403 1.00 0.00 C ATOM 1436 C ARG A 91 -9.497 3.696 3.484 1.00 0.00 C ATOM 1437 O ARG A 91 -8.867 3.720 2.434 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.488 1.425 3.990 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.179 0.736 2.654 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.489 0.339 1.967 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.255 1.512 1.494 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.378 1.422 0.768 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.944 0.229 0.541 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -13.934 2.534 0.284 1.00 0.00 N ATOM 0 H ARG A 91 -10.495 2.426 6.210 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.451 2.026 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.560 0.668 4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.463 1.907 3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.608 1.406 2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.563 -0.147 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.270 -0.313 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.101 -0.235 2.662 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.910 2.441 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.520 -0.617 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.799 0.167 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.504 3.441 0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.789 2.477 -0.270 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.249 4.723 3.871 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.491 5.890 3.065 1.00 0.00 C ATOM 1460 C GLU A 92 -9.463 6.975 3.374 1.00 0.00 C ATOM 1461 O GLU A 92 -9.148 7.809 2.528 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.928 6.346 3.360 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.578 6.749 2.042 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.009 5.521 1.227 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -12.530 4.394 1.504 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.845 5.692 0.322 1.00 0.00 O ATOM 0 H GLU A 92 -10.713 4.756 4.779 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.387 5.671 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.493 5.542 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.926 7.185 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.446 7.378 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.878 7.347 1.458 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.020 7.039 4.622 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.990 7.939 5.119 1.00 0.00 C ATOM 1475 C ASP A 93 -6.663 7.568 4.469 1.00 0.00 C ATOM 1476 O ASP A 93 -6.039 8.382 3.795 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.869 7.832 6.649 1.00 0.00 C ATOM 1478 CG ASP A 93 -9.034 8.433 7.413 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -9.325 9.614 7.129 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.593 7.728 8.277 1.00 0.00 O ATOM 0 H ASP A 93 -9.390 6.432 5.353 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.257 8.966 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.775 6.781 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.950 8.326 6.964 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.239 6.324 4.673 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.965 5.799 4.200 1.00 0.00 C ATOM 1487 C LEU A 94 -4.817 6.023 2.703 1.00 0.00 C ATOM 1488 O LEU A 94 -3.846 6.617 2.234 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.921 4.301 4.512 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.562 3.966 5.970 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.110 3.523 6.013 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.683 5.097 6.994 1.00 0.00 C ATOM 0 H LEU A 94 -6.789 5.635 5.187 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.145 6.315 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.893 3.865 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.194 3.826 3.853 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.294 3.210 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.834 3.280 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.979 2.642 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.473 4.328 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.401 4.727 7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.022 5.916 6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.712 5.454 7.021 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.815 5.577 1.946 1.00 0.00 N ATOM 1505 CA ILE A 95 -5.763 5.629 0.500 1.00 0.00 C ATOM 1506 C ILE A 95 -5.889 7.080 0.028 1.00 0.00 C ATOM 1507 O ILE A 95 -5.620 7.358 -1.137 1.00 0.00 O ATOM 1508 CB ILE A 95 -6.830 4.677 -0.075 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.630 3.237 0.446 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -6.862 4.658 -1.613 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.223 2.683 0.245 1.00 0.00 C ATOM 0 H ILE A 95 -6.674 5.173 2.320 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.801 5.280 0.124 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.787 5.068 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.868 3.212 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.341 2.580 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.635 3.968 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.081 5.659 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.893 4.333 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.172 1.668 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.985 2.671 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.505 3.313 0.771 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.233 8.025 0.917 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.343 9.416 0.528 1.00 0.00 C ATOM 1525 C ALA A 96 -4.979 10.051 0.742 1.00 0.00 C ATOM 1526 O ALA A 96 -4.496 10.771 -0.130 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.457 10.090 1.322 1.00 0.00 C ATOM 0 H ALA A 96 -6.436 7.841 1.900 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.617 9.529 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.534 11.136 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.402 9.585 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.232 10.031 2.387 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.327 9.729 1.868 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.954 10.128 2.084 1.00 0.00 C ATOM 1535 C TYR A 97 -2.114 9.751 0.880 1.00 0.00 C ATOM 1536 O TYR A 97 -1.501 10.619 0.278 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.326 9.508 3.336 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.812 9.715 3.412 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.242 10.897 2.904 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.037 8.741 3.964 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.129 11.155 3.020 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.405 9.026 4.134 1.00 0.00 C ATOM 1543 CZ TYR A 97 1.962 10.213 3.636 1.00 0.00 C ATOM 1544 OH TYR A 97 3.291 10.458 3.790 1.00 0.00 O ATOM 0 H TYR A 97 -4.738 9.195 2.633 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.971 11.208 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.791 9.941 4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.542 8.440 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.876 11.621 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.358 7.779 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.542 12.076 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.035 8.320 4.655 1.00 0.00 H new ATOM 0 HH TYR A 97 3.512 11.325 3.391 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.045 8.466 0.539 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.095 8.031 -0.478 1.00 0.00 C ATOM 1556 C LEU A 98 -1.304 8.770 -1.797 1.00 0.00 C ATOM 1557 O LEU A 98 -0.356 9.016 -2.547 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.150 6.517 -0.659 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.881 5.783 0.657 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -0.936 4.279 0.380 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.443 6.179 1.322 1.00 0.00 C ATOM 0 H LEU A 98 -2.620 7.726 0.941 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.093 8.286 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.129 6.231 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.415 6.212 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.650 6.072 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.747 3.732 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.922 4.015 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.178 4.017 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.566 5.619 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.270 5.953 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.435 7.247 1.541 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.552 9.166 -2.052 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.921 9.858 -3.278 1.00 0.00 C ATOM 1575 C LYS A 99 -2.249 11.230 -3.379 1.00 0.00 C ATOM 1576 O LYS A 99 -2.058 11.755 -4.472 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.445 9.962 -3.326 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.999 9.760 -4.734 1.00 0.00 C ATOM 1579 CD LYS A 99 -4.970 11.032 -5.600 1.00 0.00 C ATOM 1580 CE LYS A 99 -6.393 11.529 -5.880 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.098 10.651 -6.837 1.00 0.00 N ATOM 0 H LYS A 99 -3.332 9.014 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.568 9.292 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.878 9.218 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.751 10.940 -2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.424 8.979 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.027 9.403 -4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.401 11.811 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.460 10.826 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.953 11.574 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.353 12.543 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.115 11.102 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.603 9.738 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.073 10.494 -6.511 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.898 11.799 -2.228 1.00 0.00 N ATOM 1596 CA LYS A 100 -1.102 13.010 -2.090 1.00 0.00 C ATOM 1597 C LYS A 100 0.370 12.659 -1.844 1.00 0.00 C ATOM 1598 O LYS A 100 1.234 13.421 -2.252 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.718 13.963 -1.041 1.00 0.00 C ATOM 1600 CG LYS A 100 -1.055 13.975 0.344 1.00 0.00 C ATOM 1601 CD LYS A 100 0.276 14.747 0.370 1.00 0.00 C ATOM 1602 CE LYS A 100 0.254 15.952 1.319 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.578 16.605 1.375 1.00 0.00 N ATOM 0 H LYS A 100 -2.175 11.409 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.120 13.568 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -1.690 14.976 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.768 13.699 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.741 14.421 1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.879 12.948 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.076 14.070 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.510 15.090 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.496 16.669 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.038 15.628 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.547 17.396 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.292 15.915 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.828 16.964 0.431 1.00 0.00 H new ATOM 1617 N ALA A 101 0.686 11.528 -1.202 1.00 0.00 N ATOM 1618 CA ALA A 101 2.060 11.131 -0.905 1.00 0.00 C ATOM 1619 C ALA A 101 2.858 10.959 -2.194 1.00 0.00 C ATOM 1620 O ALA A 101 4.033 11.304 -2.263 1.00 0.00 O ATOM 1621 CB ALA A 101 2.105 9.831 -0.101 1.00 0.00 C ATOM 0 H ALA A 101 -0.012 10.861 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 101 2.506 11.925 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.142 9.565 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.574 9.967 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.631 9.033 -0.673 1.00 0.00 H new ATOM 1627 N THR A 102 2.192 10.434 -3.229 1.00 0.00 N ATOM 1628 CA THR A 102 2.738 10.374 -4.579 1.00 0.00 C ATOM 1629 C THR A 102 3.323 11.734 -4.995 1.00 0.00 C ATOM 1630 O THR A 102 4.327 11.792 -5.705 1.00 0.00 O ATOM 1631 CB THR A 102 1.642 9.885 -5.544 1.00 0.00 C ATOM 1632 OG1 THR A 102 2.197 9.425 -6.756 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.608 10.963 -5.868 1.00 0.00 C ATOM 0 H THR A 102 1.255 10.039 -3.147 1.00 0.00 H new ATOM 0 HA THR A 102 3.563 9.663 -4.613 1.00 0.00 H new ATOM 0 HB THR A 102 1.140 9.070 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.267 8.448 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.138 10.558 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.119 11.287 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.104 11.814 -6.334 1.00 0.00 H new ATOM 1641 N ASN A 103 2.682 12.824 -4.547 1.00 0.00 N ATOM 1642 CA ASN A 103 3.075 14.198 -4.831 1.00 0.00 C ATOM 1643 C ASN A 103 3.214 15.001 -3.533 1.00 0.00 C ATOM 1644 O ASN A 103 2.459 15.947 -3.304 1.00 0.00 O ATOM 1645 CB ASN A 103 2.028 14.808 -5.776 1.00 0.00 C ATOM 1646 CG ASN A 103 2.373 16.235 -6.199 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.538 16.609 -6.274 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.360 17.039 -6.508 1.00 0.00 N ATOM 0 H ASN A 103 1.851 12.763 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 103 4.051 14.223 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.938 14.182 -6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.055 14.805 -5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.543 17.994 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.400 16.701 -6.436 1.00 0.00 H new ATOM 1655 N GLU A 104 4.185 14.637 -2.692 1.00 0.00 N ATOM 1656 CA GLU A 104 4.694 15.491 -1.635 1.00 0.00 C ATOM 1657 C GLU A 104 6.220 15.414 -1.665 1.00 0.00 C ATOM 1658 O GLU A 104 6.724 14.532 -2.402 1.00 0.00 O ATOM 1659 CB GLU A 104 4.063 15.161 -0.266 1.00 0.00 C ATOM 1660 CG GLU A 104 4.525 13.888 0.472 1.00 0.00 C ATOM 1661 CD GLU A 104 3.782 13.675 1.785 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.057 14.606 2.205 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.906 12.565 2.344 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.846 16.267 -1.000 1.00 0.00 O ATOM 0 H GLU A 104 4.641 13.726 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 104 4.404 16.528 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.242 16.010 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.985 15.089 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.373 13.022 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.595 13.954 0.670 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.876 -3.052 2.843 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.686 -4.179 -0.377 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.010 -0.509 1.522 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.057 -2.135 6.034 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.001 -5.514 4.149 1.00 0.00 C HETATM 1677 NA HEC A 105 1.388 -2.486 0.922 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.862 -3.059 -0.228 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.401 -2.251 -1.336 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.586 -1.269 -0.812 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.636 -1.387 0.628 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.225 -0.255 -1.582 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.744 -2.484 -2.796 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.224 -2.286 -3.165 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.528 -0.922 -3.777 1.00 0.00 C HETATM 1686 O1A HEC A 105 2.951 -0.637 -4.850 1.00 0.00 O HETATM 1687 O2A HEC A 105 4.357 -0.197 -3.189 1.00 0.00 O HETATM 1688 NB HEC A 105 0.733 -1.591 3.638 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.067 -0.650 2.917 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.560 0.241 3.864 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.334 -0.265 5.132 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.533 -1.403 4.973 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.243 1.538 3.511 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.921 0.200 6.454 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.444 0.105 6.490 1.00 0.00 C HETATM 1696 NC HEC A 105 2.427 -3.698 4.732 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.965 -3.157 5.877 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.607 -3.814 6.982 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.524 -4.688 6.449 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.327 -4.677 5.020 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.374 -3.495 8.435 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.692 -5.335 7.162 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.312 -6.533 8.034 1.00 0.00 C HETATM 1704 ND HEC A 105 3.105 -4.622 2.021 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.855 -5.481 2.765 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.498 -6.399 1.858 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.137 -6.043 0.578 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.250 -4.895 0.687 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.437 -7.530 2.222 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.663 -6.743 -0.663 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.666 -6.937 -1.821 1.00 0.00 C HETATM 1712 CGD HEC A 105 3.813 -5.913 -2.944 1.00 0.00 C HETATM 1713 O1D HEC A 105 2.836 -5.770 -3.709 1.00 0.00 O HETATM 1714 O2D HEC A 105 4.842 -5.208 -2.954 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.309 -7.127 2.738 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.922 -8.234 2.875 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.757 -8.043 1.315 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.638 -2.455 8.626 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.323 -3.653 8.678 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.991 -4.146 9.054 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.528 2.207 3.032 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.069 1.340 2.828 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.627 2.006 4.418 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.440 0.355 -2.193 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.937 -0.772 -2.225 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.765 0.385 -0.884 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.796 -7.937 -2.235 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.651 -6.885 -1.426 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.607 -6.215 8.802 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.851 -7.302 7.414 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.207 -6.936 8.508 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.866 0.727 5.701 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.748 -0.931 6.337 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.807 0.450 7.458 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.833 -2.416 -2.270 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.521 -3.064 -3.868 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.515 -6.176 -1.038 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.037 -7.723 -0.368 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.453 -3.500 -3.062 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.142 -1.810 -3.405 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.689 -6.245 4.573 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.731 -1.886 7.044 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.552 0.330 1.112 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.904 -4.518 -1.390 1.00 0.00 H new HETATM 0 H2D HEC A 105 5.341 -5.369 -3.782 1.00 0.00 H new HETATM 0 H2A HEC A 105 4.668 0.505 -3.798 1.00 0.00 H new