USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 878 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 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 5 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -16! C(o=-29!,f=-41!) USER MOD Set 2.2: A 31 ASN : amide:sc= -12.9! C(o=-29!,f=-38!) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -111:sc= 0.926 (180deg=-1.04) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -0.551 K(o=0.37,f=-2.2) USER MOD Set 4.1: A -5 THR N :NH3+ -136:sc= -1.24! (180deg=0.019) USER MOD Set 4.2: A 62 ASN : amide:sc= -1.96! C(o=-3.2!,f=-1!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.215 USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= -8.76! (180deg=-9.64!) USER MOD Single : A 8 THR OG1 : rot -31:sc= 0.284 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 77:sc= 0.355 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-8.1!) USER MOD Single : A 40 SER OG : rot 61:sc= -0.624! USER MOD Single : A 42 GLN : amide:sc= -10.8! C(o=-11!,f=-5.6!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0848 USER MOD Single : A 48 TYR OH : rot -90:sc= -5.36! USER MOD Single : A 49 THR OG1 : rot 110:sc= -2.19 USER MOD Single : A 52 ASN : amide:sc= -6.28! C(o=-6.3!,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00662) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.05! C(o=-2!,f=-7.7!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -147:sc= -1.26 (180deg=-5.13!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -68:sc= 0.217 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 70 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 11:sc= 0.198! USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.49 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 146:sc= -0.172 (180deg=-0.921) USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= -0.0606 (180deg=-0.632) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.692 K(o=-0.69,f=-2.4!) USER MOD Single : A 96 THR OG1 : rot 67:sc= -0.147 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 177:sc= -0.689! (180deg=-0.799!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.226 4.252 0.843 1.00 0.00 N ATOM 2 CA THR A -5 -15.854 4.988 -0.399 1.00 0.00 C ATOM 3 C THR A -5 -15.084 6.257 -0.028 1.00 0.00 C ATOM 4 O THR A -5 -13.894 6.223 0.220 1.00 0.00 O ATOM 5 CB THR A -5 -17.122 5.366 -1.167 1.00 0.00 C ATOM 6 OG1 THR A -5 -18.194 5.540 -0.250 1.00 0.00 O ATOM 7 CG2 THR A -5 -17.470 4.257 -2.160 1.00 0.00 C ATOM 0 H1 THR A -5 -16.041 3.237 0.713 1.00 0.00 H new ATOM 0 H2 THR A -5 -15.660 4.608 1.640 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.236 4.397 1.043 1.00 0.00 H new ATOM 0 HA THR A -5 -15.227 4.353 -1.024 1.00 0.00 H new ATOM 0 HB THR A -5 -16.955 6.296 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A -5 -19.007 5.784 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A -5 -18.374 4.528 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A -5 -16.647 4.126 -2.862 1.00 0.00 H new ATOM 0 HG23 THR A -5 -17.638 3.325 -1.620 1.00 0.00 H new ATOM 17 N GLU A -4 -15.751 7.377 0.012 1.00 0.00 N ATOM 18 CA GLU A -4 -15.056 8.646 0.368 1.00 0.00 C ATOM 19 C GLU A -4 -14.416 8.509 1.750 1.00 0.00 C ATOM 20 O GLU A -4 -14.963 7.885 2.638 1.00 0.00 O ATOM 21 CB GLU A -4 -16.069 9.795 0.385 1.00 0.00 C ATOM 22 CG GLU A -4 -16.664 9.972 -1.013 1.00 0.00 C ATOM 23 CD GLU A -4 -17.622 11.164 -1.011 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.909 11.668 0.063 1.00 0.00 O ATOM 25 OE2 GLU A -4 -18.054 11.553 -2.084 1.00 0.00 O ATOM 0 H GLU A -4 -16.747 7.469 -0.186 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.282 8.855 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.860 9.585 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.584 10.717 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -15.869 10.132 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.193 9.067 -1.312 1.00 0.00 H new ATOM 32 N PHE A -3 -13.261 9.088 1.940 1.00 0.00 N ATOM 33 CA PHE A -3 -12.586 8.992 3.262 1.00 0.00 C ATOM 34 C PHE A -3 -12.007 10.360 3.636 1.00 0.00 C ATOM 35 O PHE A -3 -11.838 11.221 2.797 1.00 0.00 O ATOM 36 CB PHE A -3 -11.462 7.957 3.184 1.00 0.00 C ATOM 37 CG PHE A -3 -10.372 8.463 2.271 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.504 8.336 0.883 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.229 9.062 2.813 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.492 8.808 0.038 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.218 9.534 1.969 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.350 9.408 0.581 1.00 0.00 C ATOM 0 H PHE A -3 -12.756 9.624 1.234 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.305 8.685 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -11.059 7.767 4.179 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.851 7.009 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.386 7.874 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.127 9.160 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.593 8.709 -1.033 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.336 9.995 2.388 1.00 0.00 H new ATOM 0 HZ PHE A -3 -7.571 9.774 -0.071 1.00 0.00 H new ATOM 52 N LYS A -2 -11.706 10.568 4.890 1.00 0.00 N ATOM 53 CA LYS A -2 -11.145 11.884 5.312 1.00 0.00 C ATOM 54 C LYS A -2 -9.686 11.987 4.858 1.00 0.00 C ATOM 55 O LYS A -2 -8.895 11.092 5.074 1.00 0.00 O ATOM 56 CB LYS A -2 -11.213 11.999 6.840 1.00 0.00 C ATOM 57 CG LYS A -2 -10.789 13.403 7.283 1.00 0.00 C ATOM 58 CD LYS A -2 -11.956 14.381 7.112 1.00 0.00 C ATOM 59 CE LYS A -2 -11.598 15.720 7.760 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.296 15.839 9.071 1.00 0.00 N ATOM 0 H LYS A -2 -11.824 9.885 5.639 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.724 12.689 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -12.227 11.792 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.563 11.253 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.470 13.384 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.935 13.737 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.173 14.524 6.053 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.857 13.973 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -10.520 15.791 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.888 16.542 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.053 16.749 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -13.324 15.790 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -11.998 15.062 9.695 1.00 0.00 H new ATOM 74 N ALA A -1 -9.327 13.078 4.233 1.00 0.00 N ATOM 75 CA ALA A -1 -7.923 13.247 3.763 1.00 0.00 C ATOM 76 C ALA A -1 -7.358 14.565 4.296 1.00 0.00 C ATOM 77 O ALA A -1 -7.938 15.197 5.157 1.00 0.00 O ATOM 78 CB ALA A -1 -7.898 13.261 2.234 1.00 0.00 C ATOM 0 H ALA A -1 -9.949 13.860 4.028 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.315 12.420 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -6.872 13.385 1.888 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.298 12.321 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.506 14.088 1.868 1.00 0.00 H new ATOM 84 N GLY A 1 -6.228 14.984 3.794 1.00 0.00 N ATOM 85 CA GLY A 1 -5.628 16.259 4.276 1.00 0.00 C ATOM 86 C GLY A 1 -4.884 16.946 3.129 1.00 0.00 C ATOM 87 O GLY A 1 -5.278 17.999 2.667 1.00 0.00 O ATOM 0 H GLY A 1 -5.696 14.499 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.408 16.916 4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.942 16.061 5.100 1.00 0.00 H new ATOM 91 N SER A 2 -3.814 16.361 2.664 1.00 0.00 N ATOM 92 CA SER A 2 -3.052 16.983 1.549 1.00 0.00 C ATOM 93 C SER A 2 -2.373 15.887 0.727 1.00 0.00 C ATOM 94 O SER A 2 -1.506 15.185 1.208 1.00 0.00 O ATOM 95 CB SER A 2 -1.994 17.928 2.116 1.00 0.00 C ATOM 96 OG SER A 2 -2.416 18.393 3.391 1.00 0.00 O ATOM 0 H SER A 2 -3.436 15.479 3.009 1.00 0.00 H new ATOM 0 HA SER A 2 -3.733 17.547 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.038 17.412 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.842 18.770 1.441 1.00 0.00 H new ATOM 0 HG SER A 2 -1.739 18.999 3.759 1.00 0.00 H new ATOM 102 N ALA A 3 -2.761 15.736 -0.506 1.00 0.00 N ATOM 103 CA ALA A 3 -2.142 14.686 -1.360 1.00 0.00 C ATOM 104 C ALA A 3 -0.678 15.034 -1.633 1.00 0.00 C ATOM 105 O ALA A 3 0.158 14.165 -1.778 1.00 0.00 O ATOM 106 CB ALA A 3 -2.901 14.600 -2.684 1.00 0.00 C ATOM 0 H ALA A 3 -3.482 16.296 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.191 13.727 -0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.450 13.832 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.943 14.345 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.852 15.562 -3.195 1.00 0.00 H new ATOM 112 N LYS A 4 -0.361 16.296 -1.711 1.00 0.00 N ATOM 113 CA LYS A 4 1.050 16.690 -1.985 1.00 0.00 C ATOM 114 C LYS A 4 1.965 16.110 -0.905 1.00 0.00 C ATOM 115 O LYS A 4 2.998 15.540 -1.196 1.00 0.00 O ATOM 116 CB LYS A 4 1.160 18.215 -1.979 1.00 0.00 C ATOM 117 CG LYS A 4 0.268 18.793 -3.080 1.00 0.00 C ATOM 118 CD LYS A 4 -0.777 19.732 -2.466 1.00 0.00 C ATOM 119 CE LYS A 4 -1.835 18.915 -1.714 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.331 17.812 -2.586 1.00 0.00 N ATOM 0 H LYS A 4 -1.015 17.070 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 4 1.351 16.304 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.859 18.609 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.195 18.517 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.875 19.335 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.228 17.986 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.294 20.432 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.251 20.324 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.409 18.504 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.664 19.559 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.282 17.525 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.372 18.141 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.685 16.999 -2.519 1.00 0.00 H new ATOM 134 N LYS A 5 1.597 16.246 0.340 1.00 0.00 N ATOM 135 CA LYS A 5 2.448 15.696 1.429 1.00 0.00 C ATOM 136 C LYS A 5 2.490 14.172 1.325 1.00 0.00 C ATOM 137 O LYS A 5 3.531 13.557 1.444 1.00 0.00 O ATOM 138 CB LYS A 5 1.862 16.104 2.778 1.00 0.00 C ATOM 139 CG LYS A 5 1.932 17.625 2.928 1.00 0.00 C ATOM 140 CD LYS A 5 1.452 18.023 4.325 1.00 0.00 C ATOM 141 CE LYS A 5 1.405 19.549 4.432 1.00 0.00 C ATOM 142 NZ LYS A 5 1.563 19.951 5.859 1.00 0.00 N ATOM 0 H LYS A 5 0.745 16.714 0.648 1.00 0.00 H new ATOM 0 HA LYS A 5 3.461 16.089 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.828 15.768 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.413 15.623 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.954 17.970 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.314 18.105 2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.464 17.604 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.122 17.615 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.197 19.991 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.459 19.923 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.187 20.911 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.041 19.287 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.571 19.935 6.115 1.00 0.00 H new ATOM 156 N GLY A 6 1.362 13.560 1.101 1.00 0.00 N ATOM 157 CA GLY A 6 1.322 12.074 0.983 1.00 0.00 C ATOM 158 C GLY A 6 2.036 11.638 -0.295 1.00 0.00 C ATOM 159 O GLY A 6 2.606 10.568 -0.366 1.00 0.00 O ATOM 0 H GLY A 6 0.461 14.026 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.799 11.618 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.288 11.729 0.969 1.00 0.00 H new ATOM 163 N ALA A 7 2.000 12.454 -1.312 1.00 0.00 N ATOM 164 CA ALA A 7 2.663 12.077 -2.589 1.00 0.00 C ATOM 165 C ALA A 7 4.154 11.847 -2.351 1.00 0.00 C ATOM 166 O ALA A 7 4.722 10.881 -2.819 1.00 0.00 O ATOM 167 CB ALA A 7 2.478 13.199 -3.611 1.00 0.00 C ATOM 0 H ALA A 7 1.540 13.365 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 7 2.214 11.159 -2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.964 12.923 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.414 13.358 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.924 14.117 -3.228 1.00 0.00 H new ATOM 173 N THR A 8 4.794 12.720 -1.630 1.00 0.00 N ATOM 174 CA THR A 8 6.245 12.539 -1.372 1.00 0.00 C ATOM 175 C THR A 8 6.454 11.433 -0.337 1.00 0.00 C ATOM 176 O THR A 8 7.463 10.757 -0.333 1.00 0.00 O ATOM 177 CB THR A 8 6.834 13.845 -0.844 1.00 0.00 C ATOM 178 OG1 THR A 8 6.288 14.127 0.437 1.00 0.00 O ATOM 179 CG2 THR A 8 6.500 14.985 -1.808 1.00 0.00 C ATOM 0 H THR A 8 4.376 13.550 -1.209 1.00 0.00 H new ATOM 0 HA THR A 8 6.743 12.261 -2.301 1.00 0.00 H new ATOM 0 HB THR A 8 7.917 13.748 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.378 13.767 0.491 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.921 15.917 -1.430 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.923 14.768 -2.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.418 15.084 -1.893 1.00 0.00 H new ATOM 187 N LEU A 9 5.512 11.244 0.547 1.00 0.00 N ATOM 188 CA LEU A 9 5.669 10.185 1.580 1.00 0.00 C ATOM 189 C LEU A 9 5.934 8.847 0.893 1.00 0.00 C ATOM 190 O LEU A 9 6.832 8.114 1.257 1.00 0.00 O ATOM 191 CB LEU A 9 4.384 10.094 2.403 1.00 0.00 C ATOM 192 CG LEU A 9 4.597 9.144 3.580 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.602 9.756 4.558 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.263 8.921 4.294 1.00 0.00 C ATOM 0 H LEU A 9 4.643 11.776 0.597 1.00 0.00 H new ATOM 0 HA LEU A 9 6.505 10.427 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.102 11.082 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.564 9.738 1.779 1.00 0.00 H new ATOM 0 HG LEU A 9 4.983 8.192 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.753 9.077 5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.552 9.920 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.218 10.708 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.409 8.243 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.881 9.875 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.546 8.486 3.598 1.00 0.00 H new ATOM 206 N PHE A 10 5.171 8.534 -0.116 1.00 0.00 N ATOM 207 CA PHE A 10 5.387 7.255 -0.847 1.00 0.00 C ATOM 208 C PHE A 10 6.748 7.304 -1.535 1.00 0.00 C ATOM 209 O PHE A 10 7.511 6.359 -1.505 1.00 0.00 O ATOM 210 CB PHE A 10 4.294 7.082 -1.905 1.00 0.00 C ATOM 211 CG PHE A 10 4.519 5.796 -2.670 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.500 5.740 -3.669 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.739 4.665 -2.391 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.703 4.555 -4.386 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.944 3.479 -3.110 1.00 0.00 C ATOM 216 CZ PHE A 10 4.927 3.424 -4.108 1.00 0.00 C ATOM 0 H PHE A 10 4.406 9.110 -0.467 1.00 0.00 H new ATOM 0 HA PHE A 10 5.352 6.419 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.314 7.066 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.301 7.929 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.100 6.612 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.981 4.707 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.460 4.513 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.344 2.607 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.085 2.510 -4.661 1.00 0.00 H new ATOM 226 N LYS A 11 7.044 8.401 -2.173 1.00 0.00 N ATOM 227 CA LYS A 11 8.337 8.529 -2.889 1.00 0.00 C ATOM 228 C LYS A 11 9.509 8.434 -1.910 1.00 0.00 C ATOM 229 O LYS A 11 10.583 7.985 -2.256 1.00 0.00 O ATOM 230 CB LYS A 11 8.392 9.883 -3.596 1.00 0.00 C ATOM 231 CG LYS A 11 7.283 9.964 -4.644 1.00 0.00 C ATOM 232 CD LYS A 11 7.429 11.260 -5.444 1.00 0.00 C ATOM 233 CE LYS A 11 6.249 11.402 -6.407 1.00 0.00 C ATOM 234 NZ LYS A 11 6.321 12.724 -7.091 1.00 0.00 N ATOM 0 H LYS A 11 6.438 9.220 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 11 8.413 7.719 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.278 10.688 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.364 10.017 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.336 9.104 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.307 9.932 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.465 12.115 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.367 11.253 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.268 10.598 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.309 11.313 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.519 12.820 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.283 13.484 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.212 12.791 -7.623 1.00 0.00 H new ATOM 248 N THR A 12 9.326 8.890 -0.704 1.00 0.00 N ATOM 249 CA THR A 12 10.447 8.863 0.278 1.00 0.00 C ATOM 250 C THR A 12 10.357 7.637 1.194 1.00 0.00 C ATOM 251 O THR A 12 11.140 7.498 2.113 1.00 0.00 O ATOM 252 CB THR A 12 10.389 10.134 1.130 1.00 0.00 C ATOM 253 OG1 THR A 12 10.337 11.270 0.276 1.00 0.00 O ATOM 254 CG2 THR A 12 11.631 10.220 2.018 1.00 0.00 C ATOM 0 H THR A 12 8.451 9.280 -0.355 1.00 0.00 H new ATOM 0 HA THR A 12 11.387 8.809 -0.271 1.00 0.00 H new ATOM 0 HB THR A 12 9.500 10.107 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.432 11.366 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.584 11.126 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.671 9.349 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.524 10.246 1.393 1.00 0.00 H new ATOM 262 N ARG A 13 9.418 6.752 0.975 1.00 0.00 N ATOM 263 CA ARG A 13 9.321 5.561 1.873 1.00 0.00 C ATOM 264 C ARG A 13 9.022 4.285 1.077 1.00 0.00 C ATOM 265 O ARG A 13 9.825 3.375 1.038 1.00 0.00 O ATOM 266 CB ARG A 13 8.213 5.792 2.901 1.00 0.00 C ATOM 267 CG ARG A 13 8.618 6.940 3.828 1.00 0.00 C ATOM 268 CD ARG A 13 7.600 7.068 4.960 1.00 0.00 C ATOM 269 NE ARG A 13 7.929 8.260 5.791 1.00 0.00 N ATOM 270 CZ ARG A 13 7.387 8.402 6.970 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.557 7.502 7.420 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.674 9.447 7.699 1.00 0.00 N ATOM 0 H ARG A 13 8.726 6.799 0.227 1.00 0.00 H new ATOM 0 HA ARG A 13 10.280 5.431 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.276 6.029 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.042 4.884 3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.611 6.757 4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.672 7.873 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.594 7.163 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.609 6.168 5.575 1.00 0.00 H new ATOM 0 HE ARG A 13 8.577 8.965 5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.331 6.686 6.851 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.134 7.614 8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.322 10.152 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.251 9.558 8.620 1.00 0.00 H new ATOM 286 N CYS A 14 7.875 4.192 0.462 1.00 0.00 N ATOM 287 CA CYS A 14 7.551 2.949 -0.299 1.00 0.00 C ATOM 288 C CYS A 14 8.490 2.814 -1.503 1.00 0.00 C ATOM 289 O CYS A 14 8.777 1.724 -1.955 1.00 0.00 O ATOM 290 CB CYS A 14 6.100 2.986 -0.785 1.00 0.00 C ATOM 291 SG CYS A 14 5.029 3.882 0.386 1.00 0.00 S ATOM 0 H CYS A 14 7.154 4.914 0.452 1.00 0.00 H new ATOM 0 HA CYS A 14 7.683 2.092 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.054 3.466 -1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.731 1.968 -0.912 1.00 0.00 H new ATOM 296 N LEU A 15 8.966 3.908 -2.033 1.00 0.00 N ATOM 297 CA LEU A 15 9.880 3.828 -3.212 1.00 0.00 C ATOM 298 C LEU A 15 11.077 2.934 -2.886 1.00 0.00 C ATOM 299 O LEU A 15 11.578 2.220 -3.731 1.00 0.00 O ATOM 300 CB LEU A 15 10.377 5.226 -3.571 1.00 0.00 C ATOM 301 CG LEU A 15 11.241 5.163 -4.835 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.370 4.805 -6.042 1.00 0.00 C ATOM 303 CD2 LEU A 15 11.894 6.528 -5.070 1.00 0.00 C ATOM 0 H LEU A 15 8.763 4.852 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 15 9.334 3.405 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.530 5.893 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.955 5.639 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 15 12.011 4.402 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.990 4.762 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.901 3.835 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.598 5.563 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.510 6.487 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.120 7.285 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.518 6.785 -4.214 1.00 0.00 H new ATOM 315 N GLN A 16 11.551 2.980 -1.675 1.00 0.00 N ATOM 316 CA GLN A 16 12.728 2.147 -1.305 1.00 0.00 C ATOM 317 C GLN A 16 12.441 0.669 -1.585 1.00 0.00 C ATOM 318 O GLN A 16 13.323 -0.073 -1.971 1.00 0.00 O ATOM 319 CB GLN A 16 13.033 2.330 0.183 1.00 0.00 C ATOM 320 CG GLN A 16 13.458 3.777 0.443 1.00 0.00 C ATOM 321 CD GLN A 16 13.718 3.971 1.939 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.297 3.169 2.750 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.401 5.008 2.340 1.00 0.00 N ATOM 0 H GLN A 16 11.175 3.559 -0.924 1.00 0.00 H new ATOM 0 HA GLN A 16 13.585 2.462 -1.901 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.153 2.086 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.825 1.647 0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.357 4.011 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.680 4.462 0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.754 5.681 1.659 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.582 5.146 3.334 1.00 0.00 H new ATOM 332 N CYS A 17 11.225 0.230 -1.380 1.00 0.00 N ATOM 333 CA CYS A 17 10.902 -1.210 -1.622 1.00 0.00 C ATOM 334 C CYS A 17 9.907 -1.362 -2.777 1.00 0.00 C ATOM 335 O CYS A 17 10.069 -2.207 -3.634 1.00 0.00 O ATOM 336 CB CYS A 17 10.310 -1.813 -0.346 1.00 0.00 C ATOM 337 SG CYS A 17 11.541 -1.727 0.990 1.00 0.00 S ATOM 0 H CYS A 17 10.445 0.803 -1.057 1.00 0.00 H new ATOM 0 HA CYS A 17 11.818 -1.735 -1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.408 -1.272 -0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.019 -2.849 -0.521 1.00 0.00 H new ATOM 342 N HIS A 18 8.874 -0.569 -2.807 1.00 0.00 N ATOM 343 CA HIS A 18 7.873 -0.700 -3.909 1.00 0.00 C ATOM 344 C HIS A 18 8.123 0.344 -4.989 1.00 0.00 C ATOM 345 O HIS A 18 8.617 1.418 -4.731 1.00 0.00 O ATOM 346 CB HIS A 18 6.463 -0.461 -3.381 1.00 0.00 C ATOM 347 CG HIS A 18 6.132 -1.428 -2.291 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.880 -2.773 -2.534 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.948 -1.244 -0.952 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.546 -3.336 -1.355 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.574 -2.438 -0.371 1.00 0.00 N ATOM 0 H HIS A 18 8.677 0.161 -2.122 1.00 0.00 H new ATOM 0 HA HIS A 18 7.971 -1.707 -4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.379 0.559 -3.006 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.744 -0.562 -4.194 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.937 -3.246 -3.436 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.075 -0.308 -0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.290 -4.377 -1.225 1.00 0.00 H new ATOM 359 N THR A 19 7.740 0.041 -6.195 1.00 0.00 N ATOM 360 CA THR A 19 7.899 1.018 -7.304 1.00 0.00 C ATOM 361 C THR A 19 6.547 1.163 -8.006 1.00 0.00 C ATOM 362 O THR A 19 5.915 0.187 -8.357 1.00 0.00 O ATOM 363 CB THR A 19 8.931 0.502 -8.297 1.00 0.00 C ATOM 364 OG1 THR A 19 10.127 0.164 -7.608 1.00 0.00 O ATOM 365 CG2 THR A 19 9.228 1.582 -9.339 1.00 0.00 C ATOM 0 H THR A 19 7.320 -0.849 -6.462 1.00 0.00 H new ATOM 0 HA THR A 19 8.232 1.980 -6.915 1.00 0.00 H new ATOM 0 HB THR A 19 8.538 -0.383 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.874 0.140 -8.242 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.967 1.210 -10.048 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.311 1.837 -9.870 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.618 2.470 -8.842 1.00 0.00 H new ATOM 373 N VAL A 20 6.089 2.367 -8.208 1.00 0.00 N ATOM 374 CA VAL A 20 4.772 2.553 -8.882 1.00 0.00 C ATOM 375 C VAL A 20 4.921 2.297 -10.382 1.00 0.00 C ATOM 376 O VAL A 20 3.970 1.958 -11.059 1.00 0.00 O ATOM 377 CB VAL A 20 4.282 3.982 -8.650 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.178 4.246 -7.149 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.278 4.963 -9.268 1.00 0.00 C ATOM 0 H VAL A 20 6.566 3.227 -7.937 1.00 0.00 H new ATOM 0 HA VAL A 20 4.049 1.849 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 20 3.303 4.112 -9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.829 5.265 -6.982 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.474 3.543 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.158 4.118 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.932 5.984 -9.105 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.255 4.832 -8.802 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.358 4.774 -10.338 1.00 0.00 H new ATOM 389 N GLU A 21 6.104 2.454 -10.908 1.00 0.00 N ATOM 390 CA GLU A 21 6.304 2.215 -12.365 1.00 0.00 C ATOM 391 C GLU A 21 5.855 0.796 -12.709 1.00 0.00 C ATOM 392 O GLU A 21 6.033 -0.126 -11.939 1.00 0.00 O ATOM 393 CB GLU A 21 7.784 2.382 -12.713 1.00 0.00 C ATOM 394 CG GLU A 21 8.211 3.824 -12.438 1.00 0.00 C ATOM 395 CD GLU A 21 9.677 4.008 -12.839 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.319 3.015 -13.135 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.131 5.141 -12.842 1.00 0.00 O ATOM 0 H GLU A 21 6.939 2.737 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 21 5.716 2.933 -12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.388 1.693 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.953 2.135 -13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.580 4.514 -12.998 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.080 4.058 -11.382 1.00 0.00 H new ATOM 404 N LYS A 22 5.271 0.613 -13.860 1.00 0.00 N ATOM 405 CA LYS A 22 4.810 -0.749 -14.248 1.00 0.00 C ATOM 406 C LYS A 22 6.021 -1.616 -14.594 1.00 0.00 C ATOM 407 O LYS A 22 6.863 -1.238 -15.384 1.00 0.00 O ATOM 408 CB LYS A 22 3.889 -0.647 -15.467 1.00 0.00 C ATOM 409 CG LYS A 22 3.248 -2.010 -15.737 1.00 0.00 C ATOM 410 CD LYS A 22 2.377 -1.925 -16.991 1.00 0.00 C ATOM 411 CE LYS A 22 1.609 -3.237 -17.170 1.00 0.00 C ATOM 412 NZ LYS A 22 0.727 -3.461 -15.990 1.00 0.00 N ATOM 0 H LYS A 22 5.093 1.345 -14.547 1.00 0.00 H new ATOM 0 HA LYS A 22 4.265 -1.200 -13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.117 0.102 -15.291 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.456 -0.321 -16.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.021 -2.767 -15.869 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.645 -2.316 -14.882 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.679 -1.092 -16.906 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.998 -1.733 -17.866 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.013 -3.200 -18.082 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.307 -4.067 -17.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.084 -4.267 -15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.721 -2.608 -15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.240 -3.664 -16.313 1.00 0.00 H new ATOM 426 N GLY A 23 6.115 -2.778 -14.008 1.00 0.00 N ATOM 427 CA GLY A 23 7.273 -3.668 -14.304 1.00 0.00 C ATOM 428 C GLY A 23 8.472 -3.247 -13.452 1.00 0.00 C ATOM 429 O GLY A 23 9.605 -3.568 -13.754 1.00 0.00 O ATOM 0 H GLY A 23 5.441 -3.149 -13.338 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.011 -4.705 -14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.528 -3.611 -15.362 1.00 0.00 H new ATOM 433 N GLY A 24 8.232 -2.529 -12.390 1.00 0.00 N ATOM 434 CA GLY A 24 9.356 -2.085 -11.518 1.00 0.00 C ATOM 435 C GLY A 24 10.060 -3.306 -10.927 1.00 0.00 C ATOM 436 O GLY A 24 9.507 -4.386 -10.879 1.00 0.00 O ATOM 0 H GLY A 24 7.305 -2.230 -12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.063 -1.489 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.979 -1.447 -10.718 1.00 0.00 H new ATOM 440 N PRO A 25 11.274 -3.132 -10.479 1.00 0.00 N ATOM 441 CA PRO A 25 12.076 -4.232 -9.875 1.00 0.00 C ATOM 442 C PRO A 25 11.574 -4.606 -8.479 1.00 0.00 C ATOM 443 O PRO A 25 11.177 -3.758 -7.704 1.00 0.00 O ATOM 444 CB PRO A 25 13.487 -3.651 -9.796 1.00 0.00 C ATOM 445 CG PRO A 25 13.291 -2.177 -9.705 1.00 0.00 C ATOM 446 CD PRO A 25 12.019 -1.863 -10.497 1.00 0.00 C ATOM 0 HA PRO A 25 12.016 -5.149 -10.461 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.023 -4.032 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.074 -3.918 -10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.190 -1.862 -8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.148 -1.645 -10.118 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.448 -1.057 -10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.249 -1.548 -11.515 1.00 0.00 H new ATOM 454 N HIS A 26 11.591 -5.865 -8.151 1.00 0.00 N ATOM 455 CA HIS A 26 11.121 -6.293 -6.806 1.00 0.00 C ATOM 456 C HIS A 26 12.336 -6.508 -5.905 1.00 0.00 C ATOM 457 O HIS A 26 12.325 -7.340 -5.019 1.00 0.00 O ATOM 458 CB HIS A 26 10.341 -7.600 -6.939 1.00 0.00 C ATOM 459 CG HIS A 26 9.213 -7.401 -7.903 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.184 -6.500 -7.669 1.00 0.00 N ATOM 461 CD2 HIS A 26 8.945 -7.974 -9.114 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.351 -6.556 -8.724 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.773 -7.439 -9.632 1.00 0.00 N ATOM 0 H HIS A 26 11.911 -6.619 -8.758 1.00 0.00 H new ATOM 0 HA HIS A 26 10.474 -5.530 -6.374 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.998 -8.396 -7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.955 -7.908 -5.967 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.078 -5.904 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.552 -8.727 -9.595 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.455 -5.962 -8.824 1.00 0.00 H new ATOM 472 N LYS A 27 13.391 -5.773 -6.146 1.00 0.00 N ATOM 473 CA LYS A 27 14.634 -5.926 -5.333 1.00 0.00 C ATOM 474 C LYS A 27 14.296 -6.271 -3.878 1.00 0.00 C ATOM 475 O LYS A 27 14.313 -7.420 -3.486 1.00 0.00 O ATOM 476 CB LYS A 27 15.427 -4.617 -5.373 1.00 0.00 C ATOM 477 CG LYS A 27 16.770 -4.813 -4.668 1.00 0.00 C ATOM 478 CD LYS A 27 17.533 -3.487 -4.646 1.00 0.00 C ATOM 479 CE LYS A 27 18.938 -3.714 -4.084 1.00 0.00 C ATOM 480 NZ LYS A 27 19.948 -3.175 -5.038 1.00 0.00 N ATOM 0 H LYS A 27 13.444 -5.066 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 27 15.227 -6.738 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.588 -4.308 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.862 -3.822 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.610 -5.170 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.356 -5.574 -5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.595 -3.075 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.999 -2.759 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.038 -3.223 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.108 -4.778 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.903 -3.329 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.857 -3.663 -5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.789 -2.156 -5.173 1.00 0.00 H new ATOM 494 N VAL A 28 14.004 -5.287 -3.072 1.00 0.00 N ATOM 495 CA VAL A 28 13.687 -5.569 -1.642 1.00 0.00 C ATOM 496 C VAL A 28 12.369 -6.336 -1.538 1.00 0.00 C ATOM 497 O VAL A 28 12.273 -7.333 -0.851 1.00 0.00 O ATOM 498 CB VAL A 28 13.552 -4.252 -0.886 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.390 -4.531 0.610 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.798 -3.402 -1.123 1.00 0.00 C ATOM 0 H VAL A 28 13.971 -4.303 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 28 14.490 -6.168 -1.213 1.00 0.00 H new ATOM 0 HB VAL A 28 12.674 -3.714 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.294 -3.588 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.497 -5.134 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.264 -5.070 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.704 -2.460 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.677 -3.938 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.904 -3.201 -2.189 1.00 0.00 H new ATOM 510 N GLY A 29 11.348 -5.873 -2.206 1.00 0.00 N ATOM 511 CA GLY A 29 10.035 -6.575 -2.128 1.00 0.00 C ATOM 512 C GLY A 29 9.224 -6.330 -3.399 1.00 0.00 C ATOM 513 O GLY A 29 9.617 -5.576 -4.265 1.00 0.00 O ATOM 0 H GLY A 29 11.365 -5.044 -2.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.195 -7.645 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.478 -6.223 -1.260 1.00 0.00 H new ATOM 517 N PRO A 30 8.088 -6.967 -3.495 1.00 0.00 N ATOM 518 CA PRO A 30 7.183 -6.825 -4.665 1.00 0.00 C ATOM 519 C PRO A 30 6.861 -5.357 -4.948 1.00 0.00 C ATOM 520 O PRO A 30 6.845 -4.534 -4.054 1.00 0.00 O ATOM 521 CB PRO A 30 5.906 -7.577 -4.276 1.00 0.00 C ATOM 522 CG PRO A 30 6.213 -8.364 -3.040 1.00 0.00 C ATOM 523 CD PRO A 30 7.557 -7.887 -2.483 1.00 0.00 C ATOM 0 HA PRO A 30 7.643 -7.220 -5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.089 -6.879 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.588 -8.237 -5.083 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.426 -8.228 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.254 -9.429 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.430 -7.386 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.235 -8.725 -2.318 1.00 0.00 H new ATOM 531 N ASN A 31 6.606 -5.018 -6.181 1.00 0.00 N ATOM 532 CA ASN A 31 6.291 -3.600 -6.510 1.00 0.00 C ATOM 533 C ASN A 31 4.781 -3.448 -6.723 1.00 0.00 C ATOM 534 O ASN A 31 4.172 -4.192 -7.466 1.00 0.00 O ATOM 535 CB ASN A 31 7.035 -3.207 -7.787 1.00 0.00 C ATOM 536 CG ASN A 31 8.497 -3.646 -7.678 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.079 -4.094 -8.643 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.116 -3.540 -6.534 1.00 0.00 N ATOM 0 H ASN A 31 6.602 -5.660 -6.974 1.00 0.00 H new ATOM 0 HA ASN A 31 6.603 -2.952 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.567 -3.675 -8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.978 -2.129 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.089 -3.834 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.627 -3.163 -5.722 1.00 0.00 H new ATOM 545 N LEU A 32 4.172 -2.492 -6.070 1.00 0.00 N ATOM 546 CA LEU A 32 2.700 -2.298 -6.230 1.00 0.00 C ATOM 547 C LEU A 32 2.422 -1.126 -7.174 1.00 0.00 C ATOM 548 O LEU A 32 3.151 -0.154 -7.211 1.00 0.00 O ATOM 549 CB LEU A 32 2.069 -2.001 -4.868 1.00 0.00 C ATOM 550 CG LEU A 32 1.400 -3.261 -4.319 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.362 -4.449 -4.415 1.00 0.00 C ATOM 552 CD2 LEU A 32 1.019 -3.030 -2.855 1.00 0.00 C ATOM 0 H LEU A 32 4.629 -1.839 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 32 2.270 -3.209 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.832 -1.651 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.335 -1.201 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 32 0.507 -3.479 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.877 -5.342 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.635 -4.613 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.260 -4.238 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.541 -3.926 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.916 -2.810 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.328 -2.190 -2.787 1.00 0.00 H new ATOM 564 N HIS A 33 1.361 -1.211 -7.928 1.00 0.00 N ATOM 565 CA HIS A 33 1.011 -0.110 -8.867 1.00 0.00 C ATOM 566 C HIS A 33 -0.346 -0.409 -9.505 1.00 0.00 C ATOM 567 O HIS A 33 -0.786 0.279 -10.405 1.00 0.00 O ATOM 568 CB HIS A 33 2.080 -0.004 -9.957 1.00 0.00 C ATOM 569 CG HIS A 33 1.890 -1.116 -10.953 1.00 0.00 C ATOM 570 ND1 HIS A 33 2.250 -2.427 -10.677 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.377 -1.128 -12.227 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.953 -3.167 -11.761 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.419 -2.423 -12.731 1.00 0.00 N ATOM 0 H HIS A 33 0.717 -2.002 -7.933 1.00 0.00 H new ATOM 0 HA HIS A 33 0.961 0.833 -8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.011 0.962 -10.457 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.074 -0.064 -9.514 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.665 -2.768 -9.810 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.999 -0.265 -12.755 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.125 -4.230 -11.836 1.00 0.00 H new ATOM 582 N GLY A 34 -1.013 -1.430 -9.043 1.00 0.00 N ATOM 583 CA GLY A 34 -2.345 -1.778 -9.616 1.00 0.00 C ATOM 584 C GLY A 34 -3.126 -2.572 -8.575 1.00 0.00 C ATOM 585 O GLY A 34 -4.181 -3.111 -8.843 1.00 0.00 O ATOM 0 H GLY A 34 -0.693 -2.040 -8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.888 -0.873 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.224 -2.364 -10.527 1.00 0.00 H new ATOM 589 N ILE A 35 -2.601 -2.648 -7.386 1.00 0.00 N ATOM 590 CA ILE A 35 -3.283 -3.403 -6.304 1.00 0.00 C ATOM 591 C ILE A 35 -4.646 -2.779 -6.014 1.00 0.00 C ATOM 592 O ILE A 35 -5.621 -3.472 -5.809 1.00 0.00 O ATOM 593 CB ILE A 35 -2.394 -3.372 -5.057 1.00 0.00 C ATOM 594 CG1 ILE A 35 -1.810 -4.763 -4.832 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.190 -2.950 -3.821 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.057 -5.205 -6.085 1.00 0.00 C ATOM 0 H ILE A 35 -1.718 -2.214 -7.116 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.445 -4.437 -6.608 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.598 -2.644 -5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.137 -4.753 -3.975 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.606 -5.471 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.533 -2.937 -2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.604 -1.954 -3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.002 -3.658 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.639 -6.199 -5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.743 -5.231 -6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.251 -4.501 -6.292 1.00 0.00 H new ATOM 608 N PHE A 36 -4.730 -1.479 -6.001 1.00 0.00 N ATOM 609 CA PHE A 36 -6.041 -0.832 -5.725 1.00 0.00 C ATOM 610 C PHE A 36 -7.107 -1.452 -6.636 1.00 0.00 C ATOM 611 O PHE A 36 -7.009 -1.401 -7.846 1.00 0.00 O ATOM 612 CB PHE A 36 -5.937 0.668 -6.013 1.00 0.00 C ATOM 613 CG PHE A 36 -5.260 1.378 -4.859 1.00 0.00 C ATOM 614 CD1 PHE A 36 -3.874 1.268 -4.670 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.024 2.160 -3.983 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.260 1.938 -3.605 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.410 2.832 -2.921 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.027 2.720 -2.731 1.00 0.00 C ATOM 0 H PHE A 36 -3.953 -0.840 -6.168 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.315 -0.984 -4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.372 0.831 -6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.932 1.085 -6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.282 0.668 -5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.091 2.244 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.194 1.852 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.001 3.436 -2.249 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.551 3.237 -1.910 1.00 0.00 H new ATOM 628 N GLY A 37 -8.131 -2.030 -6.063 1.00 0.00 N ATOM 629 CA GLY A 37 -9.206 -2.646 -6.895 1.00 0.00 C ATOM 630 C GLY A 37 -8.759 -4.021 -7.406 1.00 0.00 C ATOM 631 O GLY A 37 -9.182 -4.468 -8.453 1.00 0.00 O ATOM 0 H GLY A 37 -8.269 -2.102 -5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.118 -2.748 -6.307 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.441 -1.996 -7.738 1.00 0.00 H new ATOM 635 N ARG A 38 -7.908 -4.696 -6.681 1.00 0.00 N ATOM 636 CA ARG A 38 -7.441 -6.039 -7.135 1.00 0.00 C ATOM 637 C ARG A 38 -7.280 -6.962 -5.922 1.00 0.00 C ATOM 638 O ARG A 38 -7.226 -6.514 -4.795 1.00 0.00 O ATOM 639 CB ARG A 38 -6.100 -5.888 -7.865 1.00 0.00 C ATOM 640 CG ARG A 38 -5.691 -7.217 -8.513 1.00 0.00 C ATOM 641 CD ARG A 38 -6.755 -7.650 -9.525 1.00 0.00 C ATOM 642 NE ARG A 38 -7.711 -8.590 -8.873 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.940 -8.680 -9.305 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.334 -7.953 -10.316 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.775 -9.500 -8.728 1.00 0.00 N ATOM 0 H ARG A 38 -7.516 -4.377 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.173 -6.474 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.179 -5.113 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.331 -5.567 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.727 -7.108 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.571 -7.984 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.288 -6.778 -9.904 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.283 -8.131 -10.381 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.404 -9.164 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.681 -7.314 -10.769 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.294 -8.025 -10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.468 -10.070 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.735 -9.571 -9.065 1.00 0.00 H new ATOM 659 N HIS A 39 -7.207 -8.247 -6.141 1.00 0.00 N ATOM 660 CA HIS A 39 -7.051 -9.192 -5.000 1.00 0.00 C ATOM 661 C HIS A 39 -5.579 -9.292 -4.612 1.00 0.00 C ATOM 662 O HIS A 39 -4.695 -9.195 -5.442 1.00 0.00 O ATOM 663 CB HIS A 39 -7.572 -10.572 -5.399 1.00 0.00 C ATOM 664 CG HIS A 39 -9.071 -10.588 -5.293 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.874 -9.846 -6.142 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.931 -11.258 -4.456 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.154 -10.082 -5.806 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.243 -10.935 -4.785 1.00 0.00 N ATOM 0 H HIS A 39 -7.249 -8.683 -7.062 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.623 -8.824 -4.149 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.266 -10.808 -6.418 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.142 -11.337 -4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.634 -11.931 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.004 -9.636 -6.301 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.094 -11.278 -4.339 1.00 0.00 H new ATOM 677 N SER A 40 -5.313 -9.471 -3.351 1.00 0.00 N ATOM 678 CA SER A 40 -3.904 -9.562 -2.889 1.00 0.00 C ATOM 679 C SER A 40 -3.225 -10.797 -3.485 1.00 0.00 C ATOM 680 O SER A 40 -3.800 -11.866 -3.554 1.00 0.00 O ATOM 681 CB SER A 40 -3.884 -9.664 -1.365 1.00 0.00 C ATOM 682 OG SER A 40 -3.880 -8.357 -0.805 1.00 0.00 O ATOM 0 H SER A 40 -6.015 -9.559 -2.617 1.00 0.00 H new ATOM 0 HA SER A 40 -3.366 -8.672 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.754 -10.219 -1.015 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.002 -10.215 -1.038 1.00 0.00 H new ATOM 0 HG SER A 40 -4.691 -7.881 -1.080 1.00 0.00 H new ATOM 688 N GLY A 41 -1.995 -10.658 -3.896 1.00 0.00 N ATOM 689 CA GLY A 41 -1.254 -11.821 -4.466 1.00 0.00 C ATOM 690 C GLY A 41 -1.368 -11.832 -5.991 1.00 0.00 C ATOM 691 O GLY A 41 -0.872 -12.728 -6.645 1.00 0.00 O ATOM 0 H GLY A 41 -1.468 -9.785 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.205 -11.770 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.654 -12.750 -4.059 1.00 0.00 H new ATOM 695 N GLN A 42 -2.013 -10.854 -6.565 1.00 0.00 N ATOM 696 CA GLN A 42 -2.150 -10.830 -8.049 1.00 0.00 C ATOM 697 C GLN A 42 -1.181 -9.812 -8.653 1.00 0.00 C ATOM 698 O GLN A 42 -1.344 -9.384 -9.779 1.00 0.00 O ATOM 699 CB GLN A 42 -3.586 -10.477 -8.432 1.00 0.00 C ATOM 700 CG GLN A 42 -4.519 -11.558 -7.890 1.00 0.00 C ATOM 701 CD GLN A 42 -5.917 -11.370 -8.477 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.815 -12.142 -8.204 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.142 -10.370 -9.284 1.00 0.00 N ATOM 0 H GLN A 42 -2.449 -10.074 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.909 -11.818 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.858 -9.504 -8.023 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.681 -10.405 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.136 -12.546 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.560 -11.505 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.389 -9.721 -9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.070 -10.237 -9.685 1.00 0.00 H new ATOM 712 N ALA A 43 -0.172 -9.421 -7.924 1.00 0.00 N ATOM 713 CA ALA A 43 0.794 -8.435 -8.481 1.00 0.00 C ATOM 714 C ALA A 43 1.338 -8.967 -9.809 1.00 0.00 C ATOM 715 O ALA A 43 1.771 -10.098 -9.906 1.00 0.00 O ATOM 716 CB ALA A 43 1.949 -8.238 -7.497 1.00 0.00 C ATOM 0 H ALA A 43 0.024 -9.739 -6.975 1.00 0.00 H new ATOM 0 HA ALA A 43 0.294 -7.480 -8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.656 -7.516 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.560 -7.868 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.455 -9.190 -7.335 1.00 0.00 H new ATOM 722 N GLU A 44 1.315 -8.161 -10.833 1.00 0.00 N ATOM 723 CA GLU A 44 1.825 -8.617 -12.156 1.00 0.00 C ATOM 724 C GLU A 44 3.347 -8.716 -12.105 1.00 0.00 C ATOM 725 O GLU A 44 3.936 -9.657 -12.599 1.00 0.00 O ATOM 726 CB GLU A 44 1.415 -7.613 -13.236 1.00 0.00 C ATOM 727 CG GLU A 44 1.824 -8.146 -14.611 1.00 0.00 C ATOM 728 CD GLU A 44 1.505 -7.100 -15.679 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.024 -6.039 -15.317 1.00 0.00 O ATOM 730 OE2 GLU A 44 1.748 -7.377 -16.843 1.00 0.00 O ATOM 0 H GLU A 44 0.964 -7.204 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 44 1.403 -9.594 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.338 -7.448 -13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.891 -6.650 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.889 -8.378 -14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.294 -9.074 -14.826 1.00 0.00 H new ATOM 737 N GLY A 45 3.990 -7.751 -11.508 1.00 0.00 N ATOM 738 CA GLY A 45 5.473 -7.793 -11.426 1.00 0.00 C ATOM 739 C GLY A 45 5.896 -9.026 -10.630 1.00 0.00 C ATOM 740 O GLY A 45 6.746 -9.785 -11.051 1.00 0.00 O ATOM 0 H GLY A 45 3.552 -6.938 -11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.904 -7.826 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.849 -6.889 -10.947 1.00 0.00 H new ATOM 744 N TYR A 46 5.309 -9.235 -9.484 1.00 0.00 N ATOM 745 CA TYR A 46 5.683 -10.424 -8.672 1.00 0.00 C ATOM 746 C TYR A 46 4.545 -10.808 -7.737 1.00 0.00 C ATOM 747 O TYR A 46 4.011 -9.990 -7.017 1.00 0.00 O ATOM 748 CB TYR A 46 6.943 -10.113 -7.858 1.00 0.00 C ATOM 749 CG TYR A 46 7.092 -11.113 -6.733 1.00 0.00 C ATOM 750 CD1 TYR A 46 6.985 -12.487 -6.989 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.334 -10.663 -5.429 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.121 -13.406 -5.941 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.469 -11.581 -4.382 1.00 0.00 C ATOM 754 CZ TYR A 46 7.363 -12.953 -4.638 1.00 0.00 C ATOM 755 OH TYR A 46 7.496 -13.860 -3.606 1.00 0.00 O ATOM 0 H TYR A 46 4.590 -8.636 -9.077 1.00 0.00 H new ATOM 0 HA TYR A 46 5.880 -11.261 -9.342 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.821 -10.146 -8.504 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.884 -9.103 -7.452 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.798 -12.837 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.417 -9.604 -5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.039 -14.465 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.655 -11.231 -3.377 1.00 0.00 H new ATOM 0 HH TYR A 46 7.661 -13.380 -2.768 1.00 0.00 H new ATOM 765 N SER A 47 4.182 -12.061 -7.729 1.00 0.00 N ATOM 766 CA SER A 47 3.094 -12.503 -6.826 1.00 0.00 C ATOM 767 C SER A 47 3.628 -12.481 -5.396 1.00 0.00 C ATOM 768 O SER A 47 4.796 -12.708 -5.158 1.00 0.00 O ATOM 769 CB SER A 47 2.659 -13.921 -7.198 1.00 0.00 C ATOM 770 OG SER A 47 3.587 -14.854 -6.660 1.00 0.00 O ATOM 0 H SER A 47 4.593 -12.793 -8.309 1.00 0.00 H new ATOM 0 HA SER A 47 2.233 -11.841 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.660 -14.120 -6.811 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.608 -14.025 -8.282 1.00 0.00 H new ATOM 0 HG SER A 47 3.310 -15.764 -6.896 1.00 0.00 H new ATOM 776 N TYR A 48 2.792 -12.193 -4.449 1.00 0.00 N ATOM 777 CA TYR A 48 3.265 -12.135 -3.038 1.00 0.00 C ATOM 778 C TYR A 48 3.667 -13.524 -2.539 1.00 0.00 C ATOM 779 O TYR A 48 3.579 -14.509 -3.243 1.00 0.00 O ATOM 780 CB TYR A 48 2.155 -11.587 -2.140 1.00 0.00 C ATOM 781 CG TYR A 48 1.706 -10.204 -2.585 1.00 0.00 C ATOM 782 CD1 TYR A 48 2.631 -9.231 -3.018 1.00 0.00 C ATOM 783 CD2 TYR A 48 0.344 -9.889 -2.547 1.00 0.00 C ATOM 784 CE1 TYR A 48 2.182 -7.967 -3.409 1.00 0.00 C ATOM 785 CE2 TYR A 48 -0.097 -8.621 -2.937 1.00 0.00 C ATOM 786 CZ TYR A 48 0.822 -7.663 -3.368 1.00 0.00 C ATOM 787 OH TYR A 48 0.386 -6.413 -3.741 1.00 0.00 O ATOM 0 H TYR A 48 1.801 -11.994 -4.585 1.00 0.00 H new ATOM 0 HA TYR A 48 4.135 -11.479 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.304 -12.269 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.509 -11.541 -1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.685 -9.463 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.370 -10.628 -2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.890 -7.224 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.150 -8.382 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 48 0.373 -5.824 -2.958 1.00 0.00 H new ATOM 797 N THR A 49 4.120 -13.590 -1.315 1.00 0.00 N ATOM 798 CA THR A 49 4.549 -14.890 -0.723 1.00 0.00 C ATOM 799 C THR A 49 3.376 -15.873 -0.722 1.00 0.00 C ATOM 800 O THR A 49 2.229 -15.485 -0.625 1.00 0.00 O ATOM 801 CB THR A 49 5.014 -14.650 0.715 1.00 0.00 C ATOM 802 OG1 THR A 49 6.034 -13.662 0.720 1.00 0.00 O ATOM 803 CG2 THR A 49 5.558 -15.950 1.308 1.00 0.00 C ATOM 0 H THR A 49 4.212 -12.787 -0.693 1.00 0.00 H new ATOM 0 HA THR A 49 5.364 -15.309 -1.313 1.00 0.00 H new ATOM 0 HB THR A 49 4.171 -14.309 1.315 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.690 -12.838 1.125 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.888 -15.773 2.332 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.774 -16.707 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.401 -16.298 0.711 1.00 0.00 H new ATOM 811 N ASP A 50 3.657 -17.143 -0.833 1.00 0.00 N ATOM 812 CA ASP A 50 2.565 -18.151 -0.847 1.00 0.00 C ATOM 813 C ASP A 50 1.630 -17.918 0.341 1.00 0.00 C ATOM 814 O ASP A 50 0.427 -18.047 0.226 1.00 0.00 O ATOM 815 CB ASP A 50 3.174 -19.550 -0.750 1.00 0.00 C ATOM 816 CG ASP A 50 3.933 -19.866 -2.039 1.00 0.00 C ATOM 817 OD1 ASP A 50 3.783 -19.118 -2.992 1.00 0.00 O ATOM 818 OD2 ASP A 50 4.654 -20.850 -2.053 1.00 0.00 O ATOM 0 H ASP A 50 4.599 -17.524 -0.915 1.00 0.00 H new ATOM 0 HA ASP A 50 1.997 -18.059 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.848 -19.606 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.390 -20.289 -0.587 1.00 0.00 H new ATOM 823 N ALA A 51 2.161 -17.568 1.481 1.00 0.00 N ATOM 824 CA ALA A 51 1.279 -17.325 2.658 1.00 0.00 C ATOM 825 C ALA A 51 0.359 -16.147 2.344 1.00 0.00 C ATOM 826 O ALA A 51 -0.848 -16.233 2.465 1.00 0.00 O ATOM 827 CB ALA A 51 2.135 -16.996 3.882 1.00 0.00 C ATOM 0 H ALA A 51 3.159 -17.441 1.648 1.00 0.00 H new ATOM 0 HA ALA A 51 0.686 -18.215 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.488 -16.819 4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.801 -17.832 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.727 -16.102 3.683 1.00 0.00 H new ATOM 833 N ASN A 52 0.922 -15.051 1.919 1.00 0.00 N ATOM 834 CA ASN A 52 0.086 -13.871 1.569 1.00 0.00 C ATOM 835 C ASN A 52 -0.885 -14.262 0.459 1.00 0.00 C ATOM 836 O ASN A 52 -2.053 -13.929 0.487 1.00 0.00 O ATOM 837 CB ASN A 52 0.990 -12.747 1.068 1.00 0.00 C ATOM 838 CG ASN A 52 0.142 -11.523 0.723 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.049 -11.509 0.961 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.708 -10.488 0.168 1.00 0.00 N ATOM 0 H ASN A 52 1.927 -14.922 1.799 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.467 -13.536 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.725 -12.490 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.545 -13.077 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.151 -9.666 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.708 -10.500 -0.032 1.00 0.00 H new ATOM 847 N ILE A 53 -0.400 -14.974 -0.520 1.00 0.00 N ATOM 848 CA ILE A 53 -1.276 -15.403 -1.643 1.00 0.00 C ATOM 849 C ILE A 53 -2.353 -16.350 -1.120 1.00 0.00 C ATOM 850 O ILE A 53 -3.466 -16.365 -1.606 1.00 0.00 O ATOM 851 CB ILE A 53 -0.437 -16.110 -2.700 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.590 -15.128 -3.268 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.346 -16.613 -3.822 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.568 -15.883 -4.169 1.00 0.00 C ATOM 0 H ILE A 53 0.571 -15.278 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.753 -14.529 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 53 0.080 -16.958 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.086 -14.345 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.129 -14.638 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.745 -17.119 -4.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.077 -17.311 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.865 -15.769 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.301 -15.186 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.080 -16.650 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.021 -16.352 -4.987 1.00 0.00 H new ATOM 866 N LYS A 54 -2.040 -17.135 -0.126 1.00 0.00 N ATOM 867 CA LYS A 54 -3.064 -18.064 0.418 1.00 0.00 C ATOM 868 C LYS A 54 -4.302 -17.251 0.774 1.00 0.00 C ATOM 869 O LYS A 54 -5.420 -17.638 0.494 1.00 0.00 O ATOM 870 CB LYS A 54 -2.523 -18.751 1.669 1.00 0.00 C ATOM 871 CG LYS A 54 -3.568 -19.728 2.204 1.00 0.00 C ATOM 872 CD LYS A 54 -3.051 -20.381 3.487 1.00 0.00 C ATOM 873 CE LYS A 54 -4.022 -21.477 3.930 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.224 -20.855 4.553 1.00 0.00 N ATOM 0 H LYS A 54 -1.127 -17.172 0.328 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.312 -18.826 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.600 -19.281 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.281 -18.008 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.503 -19.204 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.783 -20.492 1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.061 -20.804 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.948 -19.632 4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.316 -22.084 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.534 -22.144 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.860 -21.601 4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.930 -20.253 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.721 -20.277 3.846 1.00 0.00 H new ATOM 888 N LYS A 55 -4.106 -16.108 1.366 1.00 0.00 N ATOM 889 CA LYS A 55 -5.260 -15.240 1.718 1.00 0.00 C ATOM 890 C LYS A 55 -5.321 -14.088 0.714 1.00 0.00 C ATOM 891 O LYS A 55 -4.506 -13.187 0.745 1.00 0.00 O ATOM 892 CB LYS A 55 -5.066 -14.678 3.131 1.00 0.00 C ATOM 893 CG LYS A 55 -6.321 -13.914 3.568 1.00 0.00 C ATOM 894 CD LYS A 55 -7.385 -14.898 4.066 1.00 0.00 C ATOM 895 CE LYS A 55 -8.539 -14.120 4.700 1.00 0.00 C ATOM 896 NZ LYS A 55 -9.793 -14.918 4.595 1.00 0.00 N ATOM 0 H LYS A 55 -3.191 -15.736 1.622 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.186 -15.815 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.863 -15.490 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.201 -14.015 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.070 -13.206 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.713 -13.333 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.752 -15.504 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.950 -15.583 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.317 -13.907 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.663 -13.160 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.578 -14.389 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.006 -15.099 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.671 -15.823 5.092 1.00 0.00 H new ATOM 910 N ASN A 56 -6.276 -14.111 -0.178 1.00 0.00 N ATOM 911 CA ASN A 56 -6.384 -13.019 -1.189 1.00 0.00 C ATOM 912 C ASN A 56 -7.700 -12.267 -0.991 1.00 0.00 C ATOM 913 O ASN A 56 -8.754 -12.859 -0.870 1.00 0.00 O ATOM 914 CB ASN A 56 -6.334 -13.622 -2.594 1.00 0.00 C ATOM 915 CG ASN A 56 -7.621 -14.403 -2.869 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.292 -14.834 -1.952 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.996 -14.605 -4.102 1.00 0.00 N ATOM 0 H ASN A 56 -6.986 -14.839 -0.250 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.554 -12.323 -1.067 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.212 -12.832 -3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.471 -14.281 -2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.852 -15.124 -4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.433 -14.243 -4.872 1.00 0.00 H new ATOM 924 N VAL A 57 -7.642 -10.965 -0.945 1.00 0.00 N ATOM 925 CA VAL A 57 -8.883 -10.169 -0.741 1.00 0.00 C ATOM 926 C VAL A 57 -8.930 -9.004 -1.725 1.00 0.00 C ATOM 927 O VAL A 57 -7.942 -8.334 -1.953 1.00 0.00 O ATOM 928 CB VAL A 57 -8.893 -9.622 0.684 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.191 -8.854 0.935 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.784 -10.782 1.676 1.00 0.00 C ATOM 0 H VAL A 57 -6.787 -10.417 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.750 -10.808 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.047 -8.948 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.193 -8.466 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.266 -8.025 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.041 -9.523 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.791 -10.392 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.629 -11.457 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.854 -11.324 1.501 1.00 0.00 H new ATOM 940 N LEU A 58 -10.075 -8.736 -2.292 1.00 0.00 N ATOM 941 CA LEU A 58 -10.173 -7.594 -3.236 1.00 0.00 C ATOM 942 C LEU A 58 -9.637 -6.357 -2.534 1.00 0.00 C ATOM 943 O LEU A 58 -9.811 -6.187 -1.344 1.00 0.00 O ATOM 944 CB LEU A 58 -11.628 -7.361 -3.632 1.00 0.00 C ATOM 945 CG LEU A 58 -11.711 -6.169 -4.589 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.982 -6.505 -5.892 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.179 -5.872 -4.894 1.00 0.00 C ATOM 0 H LEU A 58 -10.939 -9.256 -2.142 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.598 -7.806 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.034 -8.253 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.232 -7.171 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.245 -5.298 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.042 -5.655 -6.572 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.936 -6.725 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.448 -7.375 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.245 -5.024 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.638 -6.745 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.702 -5.635 -3.968 1.00 0.00 H new ATOM 959 N TRP A 59 -8.972 -5.501 -3.250 1.00 0.00 N ATOM 960 CA TRP A 59 -8.412 -4.292 -2.606 1.00 0.00 C ATOM 961 C TRP A 59 -9.302 -3.078 -2.858 1.00 0.00 C ATOM 962 O TRP A 59 -9.872 -2.909 -3.917 1.00 0.00 O ATOM 963 CB TRP A 59 -7.013 -4.037 -3.152 1.00 0.00 C ATOM 964 CG TRP A 59 -6.037 -4.853 -2.376 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.215 -5.796 -2.892 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.781 -4.821 -0.947 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.453 -6.328 -1.866 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.770 -5.760 -0.649 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.321 -4.068 0.108 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.309 -5.943 0.653 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.863 -4.250 1.417 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.856 -5.185 1.691 1.00 0.00 C ATOM 0 H TRP A 59 -8.793 -5.587 -4.251 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.364 -4.456 -1.529 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.967 -4.299 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.765 -2.978 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.162 -6.085 -3.931 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.745 -7.051 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.096 -3.343 -0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.534 -6.666 0.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.288 -3.667 2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.503 -5.319 2.703 1.00 0.00 H new ATOM 983 N ASP A 60 -9.414 -2.229 -1.873 1.00 0.00 N ATOM 984 CA ASP A 60 -10.252 -1.009 -2.012 1.00 0.00 C ATOM 985 C ASP A 60 -9.611 0.115 -1.197 1.00 0.00 C ATOM 986 O ASP A 60 -8.749 -0.119 -0.373 1.00 0.00 O ATOM 987 CB ASP A 60 -11.660 -1.292 -1.483 1.00 0.00 C ATOM 988 CG ASP A 60 -12.582 -0.125 -1.840 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.133 0.768 -2.538 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.723 -0.143 -1.406 1.00 0.00 O ATOM 0 H ASP A 60 -8.954 -2.332 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.320 -0.717 -3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.043 -2.217 -1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.633 -1.431 -0.402 1.00 0.00 H new ATOM 995 N GLU A 61 -10.014 1.332 -1.420 1.00 0.00 N ATOM 996 CA GLU A 61 -9.414 2.462 -0.662 1.00 0.00 C ATOM 997 C GLU A 61 -9.578 2.220 0.841 1.00 0.00 C ATOM 998 O GLU A 61 -8.698 2.510 1.626 1.00 0.00 O ATOM 999 CB GLU A 61 -10.132 3.755 -1.047 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.938 4.014 -2.541 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.654 5.306 -2.934 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.351 5.853 -2.095 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.494 5.725 -4.067 1.00 0.00 O ATOM 0 H GLU A 61 -10.733 1.594 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.353 2.540 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.194 3.678 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.738 4.590 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.876 4.090 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.331 3.178 -3.119 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.700 1.694 1.247 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.918 1.440 2.700 1.00 0.00 C ATOM 1012 C ASN A 62 -10.088 0.236 3.160 1.00 0.00 C ATOM 1013 O ASN A 62 -9.451 0.271 4.195 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.401 1.156 2.947 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.224 2.401 2.611 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.690 3.488 2.515 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.511 2.287 2.427 1.00 0.00 N ATOM 0 H ASN A 62 -11.474 1.429 0.638 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.608 2.320 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.728 0.315 2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.559 0.873 3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.069 3.111 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.959 1.374 2.508 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.098 -0.831 2.407 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.322 -2.038 2.810 1.00 0.00 C ATOM 1026 C ASN A 63 -7.824 -1.726 2.823 1.00 0.00 C ATOM 1027 O ASN A 63 -7.102 -2.134 3.713 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.599 -3.163 1.814 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.071 -3.570 1.898 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -11.744 -3.260 2.861 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.602 -4.256 0.923 1.00 0.00 N ATOM 0 H ASN A 63 -10.611 -0.918 1.530 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.626 -2.342 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.359 -2.835 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.961 -4.020 2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.583 -4.532 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.036 -4.516 0.115 1.00 0.00 H new ATOM 1038 N MET A 64 -7.349 -1.012 1.843 1.00 0.00 N ATOM 1039 CA MET A 64 -5.900 -0.681 1.797 1.00 0.00 C ATOM 1040 C MET A 64 -5.511 0.118 3.042 1.00 0.00 C ATOM 1041 O MET A 64 -4.430 -0.035 3.572 1.00 0.00 O ATOM 1042 CB MET A 64 -5.612 0.135 0.532 1.00 0.00 C ATOM 1043 CG MET A 64 -5.722 -0.771 -0.696 1.00 0.00 C ATOM 1044 SD MET A 64 -4.437 -2.049 -0.637 1.00 0.00 S ATOM 1045 CE MET A 64 -3.006 -0.963 -0.848 1.00 0.00 C ATOM 0 H MET A 64 -7.903 -0.643 1.070 1.00 0.00 H new ATOM 0 HA MET A 64 -5.313 -1.599 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.318 0.962 0.451 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.615 0.571 0.587 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.708 -1.235 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.618 -0.180 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.229 -1.488 -1.404 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.305 -0.070 -1.397 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.620 -0.675 0.130 1.00 0.00 H new ATOM 1055 N SER A 65 -6.381 0.966 3.516 1.00 0.00 N ATOM 1056 CA SER A 65 -6.052 1.768 4.729 1.00 0.00 C ATOM 1057 C SER A 65 -5.755 0.834 5.907 1.00 0.00 C ATOM 1058 O SER A 65 -4.869 1.084 6.702 1.00 0.00 O ATOM 1059 CB SER A 65 -7.238 2.666 5.081 1.00 0.00 C ATOM 1060 OG SER A 65 -6.862 3.554 6.124 1.00 0.00 O ATOM 0 H SER A 65 -7.304 1.139 3.117 1.00 0.00 H new ATOM 0 HA SER A 65 -5.174 2.381 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.554 3.230 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.088 2.059 5.393 1.00 0.00 H new ATOM 0 HG SER A 65 -7.620 4.132 6.351 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.487 -0.240 6.028 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.241 -1.180 7.159 1.00 0.00 C ATOM 1068 C GLU A 66 -4.831 -1.760 7.048 1.00 0.00 C ATOM 1069 O GLU A 66 -4.145 -1.944 8.034 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.258 -2.322 7.107 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.662 -1.772 7.362 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.669 -2.923 7.363 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.281 -4.025 7.010 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.812 -2.684 7.716 1.00 0.00 O ATOM 0 H GLU A 66 -7.242 -0.507 5.396 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.342 -0.641 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.220 -2.812 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.011 -3.076 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.691 -1.249 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.925 -1.046 6.593 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.394 -2.054 5.856 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.030 -2.626 5.689 1.00 0.00 C ATOM 1083 C TYR A 67 -1.980 -1.612 6.149 1.00 0.00 C ATOM 1084 O TYR A 67 -0.986 -1.963 6.750 1.00 0.00 O ATOM 1085 CB TYR A 67 -2.789 -2.967 4.219 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.476 -3.697 4.092 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.429 -5.086 4.257 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.302 -2.985 3.820 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.210 -5.764 4.149 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.917 -3.663 3.712 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.963 -5.053 3.877 1.00 0.00 C ATOM 1092 OH TYR A 67 2.166 -5.720 3.771 1.00 0.00 O ATOM 0 H TYR A 67 -4.921 -1.923 4.992 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.950 -3.530 6.292 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.602 -3.585 3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.773 -2.057 3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.335 -5.635 4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.337 -1.913 3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.175 -6.836 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.823 -3.114 3.501 1.00 0.00 H new ATOM 0 HH TYR A 67 2.421 -6.076 4.648 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.185 -0.358 5.860 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.194 0.671 6.269 1.00 0.00 C ATOM 1104 C LEU A 68 -0.999 0.630 7.785 1.00 0.00 C ATOM 1105 O LEU A 68 0.094 0.819 8.280 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.698 2.049 5.847 1.00 0.00 C ATOM 1107 CG LEU A 68 -1.932 2.066 4.334 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.341 3.470 3.894 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.645 1.666 3.608 1.00 0.00 C ATOM 0 H LEU A 68 -2.998 -0.002 5.357 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.238 0.469 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.624 2.286 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.971 2.814 6.122 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.725 1.359 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.507 3.480 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.259 3.758 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.549 4.175 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.815 1.679 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.148 2.371 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.350 0.663 3.916 1.00 0.00 H new ATOM 1121 N THR A 69 -2.038 0.374 8.528 1.00 0.00 N ATOM 1122 CA THR A 69 -1.883 0.312 10.002 1.00 0.00 C ATOM 1123 C THR A 69 -0.749 -0.661 10.326 1.00 0.00 C ATOM 1124 O THR A 69 0.079 -0.412 11.180 1.00 0.00 O ATOM 1125 CB THR A 69 -3.187 -0.189 10.620 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.268 0.603 10.147 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.102 -0.080 12.137 1.00 0.00 C ATOM 0 H THR A 69 -2.982 0.206 8.179 1.00 0.00 H new ATOM 0 HA THR A 69 -1.652 1.298 10.405 1.00 0.00 H new ATOM 0 HB THR A 69 -3.349 -1.230 10.339 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.106 0.282 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.032 -0.437 12.580 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.271 -0.686 12.499 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.942 0.961 12.419 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.701 -1.759 9.626 1.00 0.00 N ATOM 1136 CA ASN A 70 0.381 -2.756 9.850 1.00 0.00 C ATOM 1137 C ASN A 70 0.611 -3.513 8.544 1.00 0.00 C ATOM 1138 O ASN A 70 -0.323 -3.866 7.854 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.031 -3.741 10.943 1.00 0.00 C ATOM 1140 CG ASN A 70 1.217 -4.405 11.527 1.00 0.00 C ATOM 1141 OD1 ASN A 70 2.327 -4.041 11.193 1.00 0.00 O ATOM 1142 ND2 ASN A 70 1.082 -5.372 12.393 1.00 0.00 N ATOM 0 H ASN A 70 -1.373 -2.011 8.901 1.00 0.00 H new ATOM 0 HA ASN A 70 1.293 -2.249 10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.580 -3.221 11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.700 -4.497 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.908 -5.821 12.789 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.151 -5.678 12.674 1.00 0.00 H new ATOM 1149 N HIS A 71 1.837 -3.762 8.188 1.00 0.00 N ATOM 1150 CA HIS A 71 2.093 -4.487 6.915 1.00 0.00 C ATOM 1151 C HIS A 71 1.388 -5.846 6.939 1.00 0.00 C ATOM 1152 O HIS A 71 1.489 -6.623 6.009 1.00 0.00 O ATOM 1153 CB HIS A 71 3.598 -4.674 6.713 1.00 0.00 C ATOM 1154 CG HIS A 71 4.065 -3.736 5.632 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.115 -2.361 5.817 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.477 -3.955 4.338 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.539 -1.808 4.663 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.772 -2.735 3.736 1.00 0.00 N ATOM 0 H HIS A 71 2.668 -3.498 8.718 1.00 0.00 H new ATOM 0 HA HIS A 71 1.699 -3.901 6.085 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.131 -4.473 7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.816 -5.706 6.437 1.00 0.00 H new ATOM 0 HD1 HIS A 71 3.874 -1.860 6.672 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.559 -4.922 3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.673 -0.747 4.510 1.00 0.00 H new ATOM 1166 N ALA A 72 0.673 -6.142 7.991 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.039 -7.449 8.067 1.00 0.00 C ATOM 1168 C ALA A 72 -1.001 -7.438 9.257 1.00 0.00 C ATOM 1169 O ALA A 72 -1.020 -8.346 10.064 1.00 0.00 O ATOM 1170 CB ALA A 72 0.983 -8.565 8.253 1.00 0.00 C ATOM 0 H ALA A 72 0.552 -5.534 8.801 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.601 -7.614 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.468 -9.524 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.672 -8.572 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.541 -8.398 9.175 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.792 -6.407 9.376 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.748 -6.322 10.521 1.00 0.00 C ATOM 1178 C LYS A 73 -3.702 -7.519 10.508 1.00 0.00 C ATOM 1179 O LYS A 73 -3.943 -8.135 11.527 1.00 0.00 O ATOM 1180 CB LYS A 73 -3.569 -5.034 10.409 1.00 0.00 C ATOM 1181 CG LYS A 73 -4.451 -4.885 11.651 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.324 -3.638 11.512 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.110 -3.414 12.806 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.387 -4.179 12.751 1.00 0.00 N ATOM 0 H LYS A 73 -1.819 -5.618 8.730 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.179 -6.324 11.450 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.906 -4.174 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.187 -5.060 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.078 -5.768 11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.830 -4.809 12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.702 -2.769 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.010 -3.754 10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.518 -3.735 13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.316 -2.352 12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.921 -4.027 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.953 -3.853 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.180 -5.192 12.643 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.255 -7.847 9.369 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.202 -8.999 9.298 1.00 0.00 C ATOM 1200 C TYR A 74 -4.672 -10.056 8.326 1.00 0.00 C ATOM 1201 O TYR A 74 -5.364 -10.992 7.979 1.00 0.00 O ATOM 1202 CB TYR A 74 -6.573 -8.504 8.829 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.507 -8.109 7.372 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -6.149 -6.803 7.017 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -6.808 -9.048 6.379 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -6.091 -6.436 5.667 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -6.750 -8.680 5.028 1.00 0.00 C ATOM 1208 CZ TYR A 74 -6.391 -7.375 4.672 1.00 0.00 C ATOM 1209 OH TYR A 74 -6.334 -7.013 3.342 1.00 0.00 O ATOM 0 H TYR A 74 -4.091 -7.366 8.484 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.296 -9.447 10.287 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.319 -9.286 8.969 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.887 -7.652 9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.918 -6.079 7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.085 -10.055 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.815 -5.429 5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.983 -9.404 4.261 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.913 -6.132 3.261 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.449 -9.918 7.888 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.874 -10.919 6.945 1.00 0.00 C ATOM 1221 C ILE A 75 -1.493 -11.354 7.440 1.00 0.00 C ATOM 1222 O ILE A 75 -0.482 -10.975 6.886 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.740 -10.294 5.555 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -4.057 -9.618 5.172 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.411 -11.385 4.533 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -3.907 -8.935 3.811 1.00 0.00 C ATOM 0 H ILE A 75 -2.823 -9.154 8.143 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.532 -11.786 6.893 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.940 -9.554 5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.858 -10.356 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.335 -8.885 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.316 -10.939 3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.472 -11.868 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.210 -12.126 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.847 -8.454 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.118 -8.185 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.649 -9.679 3.057 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.453 -12.146 8.478 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.170 -12.640 9.056 1.00 0.00 C ATOM 1240 C PRO A 76 0.702 -13.325 8.006 1.00 0.00 C ATOM 1241 O PRO A 76 1.913 -13.241 8.039 1.00 0.00 O ATOM 1242 CB PRO A 76 -0.602 -13.640 10.132 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.018 -13.293 10.461 1.00 0.00 C ATOM 1244 CD PRO A 76 -2.620 -12.655 9.209 1.00 0.00 C ATOM 0 HA PRO A 76 0.435 -11.824 9.450 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.524 -14.665 9.768 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.034 -13.566 11.014 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.577 -14.183 10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.061 -12.604 11.305 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.176 -13.382 8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.314 -11.853 9.463 1.00 0.00 H new ATOM 1252 N GLY A 77 0.097 -13.988 7.061 1.00 0.00 N ATOM 1253 CA GLY A 77 0.900 -14.655 6.002 1.00 0.00 C ATOM 1254 C GLY A 77 1.779 -13.604 5.332 1.00 0.00 C ATOM 1255 O GLY A 77 2.825 -13.899 4.787 1.00 0.00 O ATOM 0 H GLY A 77 -0.914 -14.096 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.515 -15.445 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.245 -15.125 5.269 1.00 0.00 H new ATOM 1259 N THR A 78 1.354 -12.370 5.369 1.00 0.00 N ATOM 1260 CA THR A 78 2.148 -11.281 4.739 1.00 0.00 C ATOM 1261 C THR A 78 3.364 -10.951 5.608 1.00 0.00 C ATOM 1262 O THR A 78 3.291 -10.928 6.821 1.00 0.00 O ATOM 1263 CB THR A 78 1.270 -10.041 4.579 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.173 -10.348 3.729 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.092 -8.905 3.968 1.00 0.00 C ATOM 0 H THR A 78 0.486 -12.070 5.812 1.00 0.00 H new ATOM 0 HA THR A 78 2.495 -11.607 3.759 1.00 0.00 H new ATOM 0 HB THR A 78 0.898 -9.729 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.393 -9.555 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.464 -8.021 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.932 -8.671 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.467 -9.211 2.991 1.00 0.00 H new ATOM 1273 N LYS A 79 4.485 -10.705 4.988 1.00 0.00 N ATOM 1274 CA LYS A 79 5.722 -10.385 5.757 1.00 0.00 C ATOM 1275 C LYS A 79 5.641 -8.949 6.288 1.00 0.00 C ATOM 1276 O LYS A 79 4.871 -8.142 5.807 1.00 0.00 O ATOM 1277 CB LYS A 79 6.931 -10.496 4.828 1.00 0.00 C ATOM 1278 CG LYS A 79 6.970 -11.882 4.183 1.00 0.00 C ATOM 1279 CD LYS A 79 8.217 -11.994 3.302 1.00 0.00 C ATOM 1280 CE LYS A 79 8.130 -13.257 2.442 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.312 -14.123 2.712 1.00 0.00 N ATOM 0 H LYS A 79 4.598 -10.712 3.974 1.00 0.00 H new ATOM 0 HA LYS A 79 5.820 -11.081 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.879 -9.728 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.849 -10.321 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.984 -12.654 4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.073 -12.043 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.304 -11.114 2.665 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.112 -12.027 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.210 -13.799 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.095 -12.989 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.254 -14.982 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.183 -13.604 2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.325 -14.388 3.717 1.00 0.00 H new ATOM 1295 N MET A 80 6.441 -8.625 7.268 1.00 0.00 N ATOM 1296 CA MET A 80 6.427 -7.242 7.829 1.00 0.00 C ATOM 1297 C MET A 80 7.708 -6.517 7.406 1.00 0.00 C ATOM 1298 O MET A 80 8.769 -7.106 7.342 1.00 0.00 O ATOM 1299 CB MET A 80 6.360 -7.311 9.356 1.00 0.00 C ATOM 1300 CG MET A 80 6.208 -5.899 9.926 1.00 0.00 C ATOM 1301 SD MET A 80 6.266 -5.968 11.734 1.00 0.00 S ATOM 1302 CE MET A 80 8.032 -6.330 11.899 1.00 0.00 C ATOM 0 H MET A 80 7.107 -9.261 7.706 1.00 0.00 H new ATOM 0 HA MET A 80 5.558 -6.702 7.454 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.519 -7.932 9.666 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.263 -7.778 9.749 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.004 -5.256 9.550 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.264 -5.463 9.598 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.419 -5.850 12.798 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.177 -7.408 11.972 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.564 -5.950 11.027 1.00 0.00 H new ATOM 1312 N ALA A 81 7.625 -5.247 7.108 1.00 0.00 N ATOM 1313 CA ALA A 81 8.850 -4.508 6.684 1.00 0.00 C ATOM 1314 C ALA A 81 8.757 -3.035 7.096 1.00 0.00 C ATOM 1315 O ALA A 81 9.747 -2.415 7.433 1.00 0.00 O ATOM 1316 CB ALA A 81 8.996 -4.601 5.164 1.00 0.00 C ATOM 0 H ALA A 81 6.769 -4.693 7.139 1.00 0.00 H new ATOM 0 HA ALA A 81 9.717 -4.955 7.170 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.890 -4.062 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.081 -5.647 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.121 -4.160 4.687 1.00 0.00 H new ATOM 1322 N PHE A 82 7.583 -2.463 7.065 1.00 0.00 N ATOM 1323 CA PHE A 82 7.449 -1.027 7.448 1.00 0.00 C ATOM 1324 C PHE A 82 6.969 -0.929 8.901 1.00 0.00 C ATOM 1325 O PHE A 82 6.113 -1.675 9.333 1.00 0.00 O ATOM 1326 CB PHE A 82 6.438 -0.346 6.525 1.00 0.00 C ATOM 1327 CG PHE A 82 6.497 1.144 6.724 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.497 1.892 6.095 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.554 1.776 7.532 1.00 0.00 C ATOM 1330 CE1 PHE A 82 7.552 3.277 6.276 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.605 3.160 7.715 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.605 3.910 7.085 1.00 0.00 C ATOM 0 H PHE A 82 6.715 -2.925 6.793 1.00 0.00 H new ATOM 0 HA PHE A 82 8.415 -0.532 7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.655 -0.593 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.433 -0.712 6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.227 1.400 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.783 1.196 8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.324 3.856 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.874 3.650 8.341 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.645 4.980 7.225 1.00 0.00 H new ATOM 1342 N GLY A 83 7.525 -0.023 9.661 1.00 0.00 N ATOM 1343 CA GLY A 83 7.115 0.114 11.091 1.00 0.00 C ATOM 1344 C GLY A 83 5.601 0.328 11.199 1.00 0.00 C ATOM 1345 O GLY A 83 4.953 -0.224 12.065 1.00 0.00 O ATOM 0 H GLY A 83 8.246 0.629 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.402 -0.780 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.640 0.953 11.547 1.00 0.00 H new ATOM 1349 N GLY A 84 5.032 1.123 10.330 1.00 0.00 N ATOM 1350 CA GLY A 84 3.557 1.368 10.390 1.00 0.00 C ATOM 1351 C GLY A 84 3.283 2.872 10.484 1.00 0.00 C ATOM 1352 O GLY A 84 3.976 3.598 11.170 1.00 0.00 O ATOM 0 H GLY A 84 5.523 1.613 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.075 0.956 9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.129 0.857 11.252 1.00 0.00 H new ATOM 1356 N LEU A 85 2.273 3.344 9.801 1.00 0.00 N ATOM 1357 CA LEU A 85 1.945 4.795 9.849 1.00 0.00 C ATOM 1358 C LEU A 85 0.894 5.033 10.934 1.00 0.00 C ATOM 1359 O LEU A 85 -0.280 5.182 10.659 1.00 0.00 O ATOM 1360 CB LEU A 85 1.390 5.217 8.487 1.00 0.00 C ATOM 1361 CG LEU A 85 2.381 4.836 7.380 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.675 4.894 6.028 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.557 5.819 7.362 1.00 0.00 C ATOM 0 H LEU A 85 1.660 2.782 9.210 1.00 0.00 H new ATOM 0 HA LEU A 85 2.836 5.379 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.430 4.733 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.212 6.292 8.474 1.00 0.00 H new ATOM 0 HG LEU A 85 2.752 3.829 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.377 4.624 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.838 4.195 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.305 5.904 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.254 5.538 6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.186 6.827 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.069 5.792 8.324 1.00 0.00 H new ATOM 1375 N LYS A 86 1.312 5.071 12.170 1.00 0.00 N ATOM 1376 CA LYS A 86 0.351 5.298 13.282 1.00 0.00 C ATOM 1377 C LYS A 86 -0.328 6.655 13.105 1.00 0.00 C ATOM 1378 O LYS A 86 -1.483 6.830 13.441 1.00 0.00 O ATOM 1379 CB LYS A 86 1.107 5.273 14.611 1.00 0.00 C ATOM 1380 CG LYS A 86 1.685 3.876 14.843 1.00 0.00 C ATOM 1381 CD LYS A 86 2.337 3.815 16.226 1.00 0.00 C ATOM 1382 CE LYS A 86 3.019 2.459 16.411 1.00 0.00 C ATOM 1383 NZ LYS A 86 2.018 1.371 16.227 1.00 0.00 N ATOM 0 H LYS A 86 2.284 4.954 12.457 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.407 4.515 13.276 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.908 6.012 14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.437 5.541 15.428 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.896 3.128 14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.420 3.643 14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.067 4.618 16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.585 3.964 17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.830 2.347 15.692 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.463 2.395 17.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.376 0.494 16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.124 1.640 16.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.854 1.218 15.211 1.00 0.00 H new ATOM 1397 N LYS A 87 0.377 7.619 12.583 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.234 8.962 12.391 1.00 0.00 C ATOM 1399 C LYS A 87 -1.274 8.890 11.273 1.00 0.00 C ATOM 1400 O LYS A 87 -0.990 8.462 10.172 1.00 0.00 O ATOM 1401 CB LYS A 87 0.855 9.969 12.013 1.00 0.00 C ATOM 1402 CG LYS A 87 0.279 11.385 12.052 1.00 0.00 C ATOM 1403 CD LYS A 87 1.352 12.387 11.625 1.00 0.00 C ATOM 1404 CE LYS A 87 0.840 13.811 11.847 1.00 0.00 C ATOM 1405 NZ LYS A 87 1.567 14.427 12.993 1.00 0.00 N ATOM 0 H LYS A 87 1.348 7.535 12.282 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.715 9.280 13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.695 9.888 12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.238 9.749 11.017 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.584 11.456 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.071 11.618 13.057 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.265 12.224 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.604 12.240 10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.988 14.407 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.231 13.797 12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.219 15.395 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.404 13.862 13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.585 14.454 12.784 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.480 9.303 11.549 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.543 9.256 10.508 1.00 0.00 C ATOM 1421 C GLU A 88 -3.183 10.197 9.358 1.00 0.00 C ATOM 1422 O GLU A 88 -3.537 9.964 8.220 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.874 9.689 11.122 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.298 8.678 12.189 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.662 9.076 12.756 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.118 10.163 12.442 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.227 8.288 13.495 1.00 0.00 O ATOM 0 H GLU A 88 -2.775 9.672 12.453 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.629 8.239 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.777 10.681 11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.638 9.758 10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.349 7.678 11.758 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.557 8.643 12.987 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.491 11.265 9.646 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.123 12.225 8.568 1.00 0.00 C ATOM 1436 C LYS A 89 -1.328 11.503 7.483 1.00 0.00 C ATOM 1437 O LYS A 89 -1.633 11.593 6.310 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.256 13.337 9.155 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.077 14.448 8.118 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.147 15.526 8.678 1.00 0.00 C ATOM 1441 CE LYS A 89 -0.098 16.712 7.713 1.00 0.00 C ATOM 1442 NZ LYS A 89 -0.394 17.969 8.457 1.00 0.00 N ATOM 0 H LYS A 89 -2.165 11.514 10.580 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.032 12.646 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.721 13.738 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.285 12.939 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.662 14.037 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.044 14.883 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.501 15.854 9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.854 15.119 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.885 16.775 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.822 16.572 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.361 18.776 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.341 17.906 8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.313 18.103 9.207 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.308 10.791 7.864 1.00 0.00 N ATOM 1457 CA ASP A 90 0.509 10.068 6.853 1.00 0.00 C ATOM 1458 C ASP A 90 -0.343 8.987 6.190 1.00 0.00 C ATOM 1459 O ASP A 90 -0.417 8.893 4.981 1.00 0.00 O ATOM 1460 CB ASP A 90 1.705 9.414 7.541 1.00 0.00 C ATOM 1461 CG ASP A 90 2.591 10.495 8.165 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.444 11.645 7.785 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.399 10.154 9.012 1.00 0.00 O ATOM 0 H ASP A 90 -0.004 10.678 8.831 1.00 0.00 H new ATOM 0 HA ASP A 90 0.860 10.772 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.362 8.722 8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.278 8.831 6.820 1.00 0.00 H new ATOM 1468 N ARG A 91 -0.985 8.165 6.974 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.830 7.086 6.390 1.00 0.00 C ATOM 1470 C ARG A 91 -2.910 7.689 5.486 1.00 0.00 C ATOM 1471 O ARG A 91 -3.168 7.200 4.405 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.495 6.296 7.518 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.299 5.141 6.924 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.878 4.286 8.053 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.932 5.056 8.771 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.348 4.660 9.941 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.839 3.587 10.485 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.271 5.335 10.570 1.00 0.00 N ATOM 0 H ARG A 91 -0.961 8.194 7.993 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.200 6.424 5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.739 5.913 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.148 6.948 8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.103 5.528 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.661 4.532 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.298 3.366 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.088 3.997 8.746 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.329 5.894 8.346 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.117 3.060 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.164 3.276 11.401 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.668 6.174 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.596 5.024 11.486 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.549 8.741 5.920 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.613 9.359 5.081 1.00 0.00 C ATOM 1494 C ASN A 92 -3.995 10.025 3.853 1.00 0.00 C ATOM 1495 O ASN A 92 -4.415 9.803 2.734 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.358 10.411 5.902 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.120 9.735 7.041 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.169 8.523 7.122 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.734 10.474 7.924 1.00 0.00 N ATOM 0 H ASN A 92 -3.381 9.198 6.816 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.305 8.582 4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.652 11.137 6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.051 10.960 5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.255 10.035 8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.692 11.491 7.856 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.001 10.842 4.053 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.353 11.528 2.900 1.00 0.00 C ATOM 1508 C ASP A 93 -1.712 10.483 1.986 1.00 0.00 C ATOM 1509 O ASP A 93 -1.704 10.618 0.778 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.279 12.487 3.419 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.940 13.604 4.230 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -3.149 13.739 4.138 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.226 14.304 4.929 1.00 0.00 O ATOM 0 H ASP A 93 -2.607 11.066 4.967 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.099 12.091 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.564 11.947 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.721 12.911 2.584 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.177 9.443 2.559 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.531 8.380 1.741 1.00 0.00 C ATOM 1520 C LEU A 94 -1.493 7.894 0.664 1.00 0.00 C ATOM 1521 O LEU A 94 -1.211 7.952 -0.516 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.179 7.210 2.657 1.00 0.00 C ATOM 1523 CG LEU A 94 0.354 6.041 1.830 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.500 6.517 0.937 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.865 4.954 2.774 1.00 0.00 C ATOM 0 H LEU A 94 -1.159 9.282 3.566 1.00 0.00 H new ATOM 0 HA LEU A 94 0.365 8.779 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.569 7.521 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.060 6.898 3.217 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.446 5.644 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.876 5.679 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.139 7.297 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.303 6.915 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.247 4.116 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.664 5.358 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.049 4.611 3.410 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.624 7.406 1.069 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.619 6.899 0.093 1.00 0.00 C ATOM 1539 C ILE A 95 -4.118 8.039 -0.790 1.00 0.00 C ATOM 1540 O ILE A 95 -4.458 7.840 -1.940 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.782 6.279 0.852 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.263 5.094 1.663 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.834 5.806 -0.141 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.401 4.499 2.497 1.00 0.00 C ATOM 0 H ILE A 95 -2.906 7.335 2.047 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.155 6.147 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.229 7.013 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.854 4.336 0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.451 5.416 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.670 5.361 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.190 6.654 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.397 5.064 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.026 3.654 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.790 5.258 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.199 4.161 1.835 1.00 0.00 H new ATOM 1556 N THR A 96 -4.166 9.231 -0.271 1.00 0.00 N ATOM 1557 CA THR A 96 -4.643 10.370 -1.088 1.00 0.00 C ATOM 1558 C THR A 96 -3.868 10.394 -2.406 1.00 0.00 C ATOM 1559 O THR A 96 -4.422 10.633 -3.460 1.00 0.00 O ATOM 1560 CB THR A 96 -4.398 11.665 -0.315 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.929 11.538 0.996 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.084 12.823 -1.029 1.00 0.00 C ATOM 0 H THR A 96 -3.895 9.463 0.684 1.00 0.00 H new ATOM 0 HA THR A 96 -5.708 10.269 -1.299 1.00 0.00 H new ATOM 0 HB THR A 96 -3.327 11.858 -0.259 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.413 10.870 1.495 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.909 13.746 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.679 12.920 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.156 12.632 -1.085 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.590 10.135 -2.355 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.779 10.129 -3.602 1.00 0.00 C ATOM 1572 C TYR A 97 -2.007 8.824 -4.370 1.00 0.00 C ATOM 1573 O TYR A 97 -2.217 8.828 -5.567 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.298 10.266 -3.248 1.00 0.00 C ATOM 1575 CG TYR A 97 0.533 10.059 -4.489 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.676 11.092 -5.423 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.163 8.831 -4.702 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.449 10.891 -6.573 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.936 8.628 -5.848 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.079 9.658 -6.786 1.00 0.00 C ATOM 1581 OH TYR A 97 2.843 9.459 -7.919 1.00 0.00 O ATOM 0 H TYR A 97 -2.073 9.927 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.082 10.967 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.103 11.252 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.025 9.534 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.191 12.042 -5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.052 8.036 -3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.560 11.686 -7.295 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.423 7.678 -6.010 1.00 0.00 H new ATOM 0 HH TYR A 97 3.209 8.550 -7.911 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.964 7.709 -3.695 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.174 6.409 -4.395 1.00 0.00 C ATOM 1593 C LEU A 98 -3.513 6.444 -5.129 1.00 0.00 C ATOM 1594 O LEU A 98 -3.604 6.106 -6.292 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.184 5.274 -3.369 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.856 5.261 -2.609 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.904 4.201 -1.508 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.278 4.925 -3.577 1.00 0.00 C ATOM 0 H LEU A 98 -1.793 7.641 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.369 6.243 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.012 5.406 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.338 4.318 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.685 6.242 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.043 4.194 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.714 4.431 -0.816 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.075 3.221 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.225 4.915 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.101 3.944 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.317 5.676 -4.366 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.547 6.869 -4.463 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.876 6.947 -5.127 1.00 0.00 C ATOM 1612 C LYS A 99 -5.793 7.927 -6.298 1.00 0.00 C ATOM 1613 O LYS A 99 -6.363 7.708 -7.349 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.918 7.427 -4.117 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.289 7.543 -4.792 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.293 8.130 -3.799 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.670 8.240 -4.460 1.00 0.00 C ATOM 1618 NZ LYS A 99 -10.663 7.505 -5.756 1.00 0.00 N ATOM 0 H LYS A 99 -4.530 7.166 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.166 5.964 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.973 6.730 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.622 8.393 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.220 8.178 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.625 6.563 -5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.354 7.498 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.959 9.113 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.435 7.828 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.922 9.287 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.613 7.538 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.980 7.949 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.391 6.515 -5.592 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.084 9.007 -6.122 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.955 10.008 -7.219 1.00 0.00 C ATOM 1634 C LYS A 100 -4.332 9.335 -8.438 1.00 0.00 C ATOM 1635 O LYS A 100 -4.754 9.532 -9.560 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.042 11.140 -6.756 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.114 12.300 -7.750 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.153 13.408 -7.314 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.352 14.637 -8.203 1.00 0.00 C ATOM 1640 NZ LYS A 100 -4.406 15.511 -7.613 1.00 0.00 N ATOM 0 H LYS A 100 -4.586 9.241 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.938 10.404 -7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.342 11.479 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.016 10.782 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.855 11.952 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.132 12.686 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.331 13.668 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.123 13.059 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.416 15.188 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.640 14.329 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.542 16.347 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.299 14.982 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.113 15.815 -6.662 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.332 8.537 -8.214 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.668 7.832 -9.347 1.00 0.00 C ATOM 1656 C ALA A 101 -3.644 6.811 -9.919 1.00 0.00 C ATOM 1657 O ALA A 101 -3.876 6.754 -11.112 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.413 7.116 -8.842 1.00 0.00 C ATOM 0 H ALA A 101 -2.942 8.339 -7.293 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.381 8.548 -10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.929 6.601 -9.672 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.724 7.846 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.691 6.390 -8.077 1.00 0.00 H new ATOM 1664 N THR A 102 -4.239 6.021 -9.072 1.00 0.00 N ATOM 1665 CA THR A 102 -5.224 5.021 -9.555 1.00 0.00 C ATOM 1666 C THR A 102 -6.391 5.771 -10.190 1.00 0.00 C ATOM 1667 O THR A 102 -7.024 5.298 -11.113 1.00 0.00 O ATOM 1668 CB THR A 102 -5.728 4.182 -8.378 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.621 3.605 -7.702 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.649 3.076 -8.895 1.00 0.00 C ATOM 0 H THR A 102 -4.084 6.026 -8.064 1.00 0.00 H new ATOM 0 HA THR A 102 -4.761 4.357 -10.285 1.00 0.00 H new ATOM 0 HB THR A 102 -6.282 4.818 -7.688 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.189 4.284 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.007 2.479 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.499 3.522 -9.412 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.098 2.437 -9.586 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.676 6.947 -9.696 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.801 7.741 -10.262 1.00 0.00 C ATOM 1680 C GLU A 103 -7.290 8.589 -11.428 1.00 0.00 C ATOM 1681 O GLU A 103 -7.941 8.720 -12.446 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.377 8.655 -9.179 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.619 9.367 -9.720 1.00 0.00 C ATOM 1684 CD GLU A 103 -10.138 10.355 -8.675 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.522 10.456 -7.626 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -11.143 10.993 -8.939 1.00 0.00 O ATOM 0 H GLU A 103 -6.177 7.390 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.579 7.066 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.635 8.072 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.630 9.387 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.376 9.893 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.392 8.638 -9.962 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 5.162 -2.576 1.676 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.394 -5.416 1.154 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.354 -0.736 1.261 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.932 0.265 2.230 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.996 -4.395 1.961 1.00 0.00 C HETATM 1699 NA HEC A 104 3.285 -2.985 1.295 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.699 -4.224 1.115 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.266 -4.102 0.906 1.00 0.00 C HETATM 1702 C3A HEC A 104 1.002 -2.779 0.882 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.237 -2.100 1.163 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.291 -2.149 0.502 1.00 0.00 C HETATM 1705 CAA HEC A 104 0.237 -5.181 0.995 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.530 -5.376 -0.312 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.483 -6.849 -0.709 1.00 0.00 C HETATM 1708 O1A HEC A 104 0.612 -7.366 -0.848 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.542 -7.436 -0.862 1.00 0.00 O HETATM 1710 NB HEC A 104 4.737 -0.658 1.729 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.517 -0.056 1.519 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.597 1.377 1.660 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.893 1.675 1.898 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.588 0.404 1.985 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.451 2.315 1.781 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.485 3.055 1.941 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.946 3.882 3.110 1.00 0.00 C HETATM 1718 NC HEC A 104 7.038 -2.160 2.042 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.610 -0.922 2.247 1.00 0.00 C HETATM 1720 C2C HEC A 104 9.025 -1.020 2.467 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.348 -2.319 2.321 1.00 0.00 C HETATM 1722 C4C HEC A 104 8.104 -3.031 2.111 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.916 0.057 2.976 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.726 -2.848 2.160 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.515 -2.885 3.470 1.00 0.00 C HETATM 1726 ND HEC A 104 5.597 -4.484 1.594 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.831 -5.076 1.720 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.750 -6.513 1.615 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.445 -6.802 1.344 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.742 -5.541 1.377 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.823 -7.467 2.007 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.842 -8.115 0.930 1.00 0.00 C HETATM 1733 CBD HEC A 104 5.851 -9.201 0.523 1.00 0.00 C HETATM 1734 CGD HEC A 104 5.241 -10.098 -0.561 1.00 0.00 C HETATM 1735 O1D HEC A 104 5.955 -10.949 -1.066 1.00 0.00 O HETATM 1736 O2D HEC A 104 4.074 -9.927 -0.861 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.720 -7.265 1.422 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 8.046 -7.348 3.067 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 7.489 -8.487 1.819 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.880 0.910 2.298 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.583 0.367 3.967 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.939 -0.315 3.037 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.822 2.238 0.894 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.865 2.061 2.664 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.824 3.335 1.874 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.541 -2.422 -0.523 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.077 -2.498 1.172 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.204 -1.065 0.578 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.766 -8.739 0.153 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.125 -9.800 1.392 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.595 -1.876 3.875 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 11.000 -3.524 4.187 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.513 -3.282 3.283 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.865 3.982 3.017 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.185 3.383 4.049 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.404 4.871 3.098 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.564 -5.053 -0.192 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.093 -4.761 -1.099 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 4.237 -8.494 1.754 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.166 -7.938 0.093 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.722 -6.118 1.270 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.467 -4.941 1.792 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.911 -4.981 2.040 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.503 1.172 2.426 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.449 -0.145 1.122 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.826 -6.332 0.995 1.00 0.00 H new