USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=30 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 87 LYS NZ :NH3+ -161:sc= -1.71 (180deg=-2.78!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.446) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -9.87! C(o=-14!,f=-20!) USER MOD Set 2.2: A 31 ASN : amide:sc= -4.47! C(o=-14!,f=-23!) USER MOD Single : A 2 SER OG : rot 180:sc= -0.209 USER MOD Single : A 4 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0436) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -38:sc= 0.993 USER MOD Single : A -2 LYS NZ :NH3+ 162:sc= -0.0616 (180deg=-0.469) USER MOD Single : A -5 THR N :NH3+ -161:sc= -0.225 (180deg=-0.813) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.444 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot -140:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-2.4!) USER MOD Single : A 39 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.31) USER MOD Single : A 40 SER OG : rot 54:sc= 0.203 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.476 F(o=-2.1!,f=-0.48) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 123:sc= -1.8! USER MOD Single : A 49 THR OG1 : rot -90:sc= -0.865 USER MOD Single : A 52 ASN :FLIP amide:sc= -10.4! C(o=-12!,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 156:sc= 0.666! (180deg=0.21) USER MOD Single : A 56 ASN : amide:sc= -2.18! C(o=-2.2!,f=-7.9!) USER MOD Single : A 62 ASN : amide:sc=-0.00778 K(o=-0.0078,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 150:sc= -0.285 (180deg=-0.88) USER MOD Single : A 65 SER OG : rot 76:sc= -0.242 USER MOD Single : A 67 TYR OH : rot -28:sc= 0.517 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0841 USER MOD Single : A 70 ASN : amide:sc= 0.156 K(o=0.16,f=-0.44) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -105:sc= -3.7! USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -6.03! (180deg=-6.77!) USER MOD Single : A 80 MET CE :methyl -154:sc= -0.278 (180deg=-1.51!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.791 K(o=-0.79,f=-2.5!) USER MOD Single : A 96 THR OG1 : rot 69:sc= 0.375 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 78:sc= 0.59 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -17.018 4.959 -1.144 1.00 0.00 N ATOM 2 CA THR A -5 -15.578 4.584 -1.046 1.00 0.00 C ATOM 3 C THR A -5 -14.772 5.784 -0.548 1.00 0.00 C ATOM 4 O THR A -5 -13.651 5.649 -0.101 1.00 0.00 O ATOM 5 CB THR A -5 -15.066 4.161 -2.425 1.00 0.00 C ATOM 6 OG1 THR A -5 -15.222 5.239 -3.337 1.00 0.00 O ATOM 7 CG2 THR A -5 -15.860 2.952 -2.920 1.00 0.00 C ATOM 0 H1 THR A -5 -17.600 4.098 -1.164 1.00 0.00 H new ATOM 0 H2 THR A -5 -17.283 5.537 -0.321 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.176 5.504 -2.015 1.00 0.00 H new ATOM 0 HA THR A -5 -15.465 3.755 -0.347 1.00 0.00 H new ATOM 0 HB THR A -5 -14.012 3.894 -2.354 1.00 0.00 H new ATOM 0 HG1 THR A -5 -14.893 4.970 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A -5 -15.493 2.653 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A -5 -15.738 2.125 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A -5 -16.916 3.214 -2.991 1.00 0.00 H new ATOM 17 N GLU A -4 -15.336 6.959 -0.619 1.00 0.00 N ATOM 18 CA GLU A -4 -14.601 8.169 -0.149 1.00 0.00 C ATOM 19 C GLU A -4 -14.215 7.992 1.321 1.00 0.00 C ATOM 20 O GLU A -4 -14.945 7.411 2.099 1.00 0.00 O ATOM 21 CB GLU A -4 -15.497 9.400 -0.299 1.00 0.00 C ATOM 22 CG GLU A -4 -15.835 9.609 -1.775 1.00 0.00 C ATOM 23 CD GLU A -4 -16.668 10.882 -1.934 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.076 11.429 -0.922 1.00 0.00 O ATOM 25 OE2 GLU A -4 -16.884 11.288 -3.063 1.00 0.00 O ATOM 0 H GLU A -4 -16.273 7.134 -0.982 1.00 0.00 H new ATOM 0 HA GLU A -4 -13.699 8.302 -0.747 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.412 9.270 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -14.992 10.281 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -14.919 9.686 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.387 8.751 -2.157 1.00 0.00 H new ATOM 32 N PHE A -3 -13.070 8.488 1.707 1.00 0.00 N ATOM 33 CA PHE A -3 -12.634 8.350 3.124 1.00 0.00 C ATOM 34 C PHE A -3 -12.067 9.687 3.612 1.00 0.00 C ATOM 35 O PHE A -3 -11.771 10.569 2.831 1.00 0.00 O ATOM 36 CB PHE A -3 -11.563 7.260 3.222 1.00 0.00 C ATOM 37 CG PHE A -3 -10.319 7.704 2.493 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.256 7.617 1.097 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.229 8.205 3.213 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.101 8.033 0.422 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.076 8.622 2.539 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.011 8.535 1.143 1.00 0.00 C ATOM 0 H PHE A -3 -12.417 8.984 1.100 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.484 8.072 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -11.331 7.057 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.936 6.330 2.792 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.097 7.230 0.541 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.278 8.270 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.051 7.966 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.236 9.011 3.095 1.00 0.00 H new ATOM 0 HZ PHE A -3 -7.120 8.855 0.623 1.00 0.00 H new ATOM 52 N LYS A -2 -11.920 9.848 4.899 1.00 0.00 N ATOM 53 CA LYS A -2 -11.382 11.132 5.436 1.00 0.00 C ATOM 54 C LYS A -2 -9.948 11.336 4.943 1.00 0.00 C ATOM 55 O LYS A -2 -9.133 10.438 4.984 1.00 0.00 O ATOM 56 CB LYS A -2 -11.393 11.085 6.969 1.00 0.00 C ATOM 57 CG LYS A -2 -10.984 12.446 7.544 1.00 0.00 C ATOM 58 CD LYS A -2 -12.178 13.405 7.517 1.00 0.00 C ATOM 59 CE LYS A -2 -11.824 14.677 8.291 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.586 15.279 7.720 1.00 0.00 N ATOM 0 H LYS A -2 -12.149 9.146 5.603 1.00 0.00 H new ATOM 0 HA LYS A -2 -12.003 11.958 5.090 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -12.388 10.816 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.709 10.313 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.627 12.326 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.159 12.862 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.437 13.652 6.488 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.052 12.928 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -12.647 15.390 8.235 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.675 14.444 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.511 16.271 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -9.756 14.751 8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.626 15.235 6.682 1.00 0.00 H new ATOM 74 N ALA A -1 -9.634 12.516 4.482 1.00 0.00 N ATOM 75 CA ALA A -1 -8.254 12.780 3.990 1.00 0.00 C ATOM 76 C ALA A -1 -7.798 14.162 4.464 1.00 0.00 C ATOM 77 O ALA A -1 -8.267 14.671 5.464 1.00 0.00 O ATOM 78 CB ALA A -1 -8.238 12.734 2.462 1.00 0.00 C ATOM 0 H ALA A -1 -10.274 13.308 4.425 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.578 12.020 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.227 12.927 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.561 11.749 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.914 13.493 2.068 1.00 0.00 H new ATOM 84 N GLY A 1 -6.887 14.773 3.758 1.00 0.00 N ATOM 85 CA GLY A 1 -6.403 16.120 4.172 1.00 0.00 C ATOM 86 C GLY A 1 -5.533 16.715 3.063 1.00 0.00 C ATOM 87 O GLY A 1 -5.869 17.721 2.468 1.00 0.00 O ATOM 0 H GLY A 1 -6.457 14.398 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.250 16.775 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.830 16.044 5.096 1.00 0.00 H new ATOM 91 N SER A 2 -4.418 16.100 2.778 1.00 0.00 N ATOM 92 CA SER A 2 -3.528 16.624 1.710 1.00 0.00 C ATOM 93 C SER A 2 -2.975 15.453 0.897 1.00 0.00 C ATOM 94 O SER A 2 -2.964 14.326 1.348 1.00 0.00 O ATOM 95 CB SER A 2 -2.373 17.401 2.342 1.00 0.00 C ATOM 96 OG SER A 2 -1.531 16.499 3.050 1.00 0.00 O ATOM 0 H SER A 2 -4.086 15.254 3.242 1.00 0.00 H new ATOM 0 HA SER A 2 -4.092 17.289 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.803 17.919 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.760 18.163 3.019 1.00 0.00 H new ATOM 0 HG SER A 2 -0.789 16.994 3.455 1.00 0.00 H new ATOM 102 N ALA A 3 -2.520 15.713 -0.300 1.00 0.00 N ATOM 103 CA ALA A 3 -1.971 14.618 -1.148 1.00 0.00 C ATOM 104 C ALA A 3 -0.537 14.956 -1.558 1.00 0.00 C ATOM 105 O ALA A 3 0.254 14.083 -1.854 1.00 0.00 O ATOM 106 CB ALA A 3 -2.833 14.465 -2.402 1.00 0.00 C ATOM 0 H ALA A 3 -2.505 16.639 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.977 13.686 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.432 13.664 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.856 14.223 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.826 15.399 -2.964 1.00 0.00 H new ATOM 112 N LYS A 4 -0.195 16.214 -1.584 1.00 0.00 N ATOM 113 CA LYS A 4 1.188 16.597 -1.983 1.00 0.00 C ATOM 114 C LYS A 4 2.191 15.939 -1.032 1.00 0.00 C ATOM 115 O LYS A 4 3.121 15.283 -1.455 1.00 0.00 O ATOM 116 CB LYS A 4 1.337 18.118 -1.905 1.00 0.00 C ATOM 117 CG LYS A 4 0.027 18.781 -2.341 1.00 0.00 C ATOM 118 CD LYS A 4 -0.881 18.989 -1.122 1.00 0.00 C ATOM 119 CE LYS A 4 -2.340 18.752 -1.518 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.770 19.799 -2.487 1.00 0.00 N ATOM 0 H LYS A 4 -0.811 16.991 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 4 1.379 16.264 -3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.588 18.418 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.155 18.448 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.235 19.738 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.478 18.159 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.595 18.305 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.759 20.000 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.451 17.763 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.976 18.777 -0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.797 19.731 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.537 20.739 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.276 19.659 -3.392 1.00 0.00 H new ATOM 134 N LYS A 5 2.006 16.105 0.249 1.00 0.00 N ATOM 135 CA LYS A 5 2.944 15.484 1.222 1.00 0.00 C ATOM 136 C LYS A 5 2.850 13.961 1.126 1.00 0.00 C ATOM 137 O LYS A 5 3.842 13.261 1.162 1.00 0.00 O ATOM 138 CB LYS A 5 2.571 15.933 2.632 1.00 0.00 C ATOM 139 CG LYS A 5 2.770 17.443 2.759 1.00 0.00 C ATOM 140 CD LYS A 5 2.512 17.874 4.205 1.00 0.00 C ATOM 141 CE LYS A 5 2.593 19.398 4.305 1.00 0.00 C ATOM 142 NZ LYS A 5 3.365 19.776 5.523 1.00 0.00 N ATOM 0 H LYS A 5 1.245 16.644 0.662 1.00 0.00 H new ATOM 0 HA LYS A 5 3.964 15.794 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.534 15.674 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.187 15.412 3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.784 17.713 2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.092 17.967 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.530 17.529 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.245 17.416 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.073 19.806 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.591 19.824 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.420 20.812 5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.889 19.398 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.325 19.381 5.462 1.00 0.00 H new ATOM 156 N GLY A 6 1.658 13.444 1.008 1.00 0.00 N ATOM 157 CA GLY A 6 1.487 11.966 0.911 1.00 0.00 C ATOM 158 C GLY A 6 2.175 11.444 -0.349 1.00 0.00 C ATOM 159 O GLY A 6 2.728 10.363 -0.364 1.00 0.00 O ATOM 0 H GLY A 6 0.792 13.983 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.909 11.484 1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.427 11.715 0.887 1.00 0.00 H new ATOM 163 N ALA A 7 2.138 12.201 -1.410 1.00 0.00 N ATOM 164 CA ALA A 7 2.783 11.739 -2.670 1.00 0.00 C ATOM 165 C ALA A 7 4.281 11.552 -2.443 1.00 0.00 C ATOM 166 O ALA A 7 4.867 10.584 -2.881 1.00 0.00 O ATOM 167 CB ALA A 7 2.559 12.781 -3.768 1.00 0.00 C ATOM 0 H ALA A 7 1.691 13.116 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 7 2.344 10.789 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.031 12.444 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.490 12.911 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.997 13.731 -3.463 1.00 0.00 H new ATOM 173 N THR A 8 4.907 12.469 -1.762 1.00 0.00 N ATOM 174 CA THR A 8 6.365 12.338 -1.512 1.00 0.00 C ATOM 175 C THR A 8 6.612 11.240 -0.477 1.00 0.00 C ATOM 176 O THR A 8 7.620 10.562 -0.506 1.00 0.00 O ATOM 177 CB THR A 8 6.908 13.665 -0.990 1.00 0.00 C ATOM 178 OG1 THR A 8 6.380 13.915 0.306 1.00 0.00 O ATOM 179 CG2 THR A 8 6.500 14.795 -1.936 1.00 0.00 C ATOM 0 H THR A 8 4.471 13.303 -1.368 1.00 0.00 H new ATOM 0 HA THR A 8 6.872 12.076 -2.441 1.00 0.00 H new ATOM 0 HB THR A 8 7.996 13.616 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.447 13.616 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.889 15.742 -1.561 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.907 14.603 -2.929 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.413 14.847 -1.993 1.00 0.00 H new ATOM 187 N LEU A 9 5.701 11.056 0.438 1.00 0.00 N ATOM 188 CA LEU A 9 5.890 10.001 1.470 1.00 0.00 C ATOM 189 C LEU A 9 6.112 8.660 0.771 1.00 0.00 C ATOM 190 O LEU A 9 6.996 7.901 1.118 1.00 0.00 O ATOM 191 CB LEU A 9 4.635 9.923 2.342 1.00 0.00 C ATOM 192 CG LEU A 9 4.875 8.966 3.509 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.677 9.678 4.602 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.529 8.515 4.078 1.00 0.00 C ATOM 0 H LEU A 9 4.835 11.590 0.515 1.00 0.00 H new ATOM 0 HA LEU A 9 6.752 10.237 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.380 10.914 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.788 9.581 1.747 1.00 0.00 H new ATOM 0 HG LEU A 9 5.434 8.099 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.847 8.993 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.636 10.002 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.120 10.546 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.697 7.832 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.972 9.384 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.958 8.007 3.301 1.00 0.00 H new ATOM 206 N PHE A 10 5.323 8.375 -0.225 1.00 0.00 N ATOM 207 CA PHE A 10 5.489 7.096 -0.967 1.00 0.00 C ATOM 208 C PHE A 10 6.838 7.095 -1.679 1.00 0.00 C ATOM 209 O PHE A 10 7.556 6.114 -1.679 1.00 0.00 O ATOM 210 CB PHE A 10 4.373 6.962 -2.008 1.00 0.00 C ATOM 211 CG PHE A 10 4.560 5.683 -2.797 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.524 5.622 -3.814 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.765 4.562 -2.522 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.694 4.444 -4.550 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.935 3.382 -3.261 1.00 0.00 C ATOM 216 CZ PHE A 10 4.902 3.323 -4.275 1.00 0.00 C ATOM 0 H PHE A 10 4.568 8.974 -0.558 1.00 0.00 H new ATOM 0 HA PHE A 10 5.441 6.262 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.401 6.957 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.385 7.820 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.136 6.485 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.021 4.607 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.438 4.400 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.321 2.519 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.035 2.414 -4.843 1.00 0.00 H new ATOM 226 N LYS A 11 7.173 8.184 -2.311 1.00 0.00 N ATOM 227 CA LYS A 11 8.456 8.254 -3.054 1.00 0.00 C ATOM 228 C LYS A 11 9.648 8.069 -2.113 1.00 0.00 C ATOM 229 O LYS A 11 10.647 7.478 -2.474 1.00 0.00 O ATOM 230 CB LYS A 11 8.566 9.615 -3.740 1.00 0.00 C ATOM 231 CG LYS A 11 7.451 9.763 -4.775 1.00 0.00 C ATOM 232 CD LYS A 11 7.647 11.065 -5.555 1.00 0.00 C ATOM 233 CE LYS A 11 6.465 11.276 -6.503 1.00 0.00 C ATOM 234 NZ LYS A 11 5.575 12.340 -5.960 1.00 0.00 N ATOM 0 H LYS A 11 6.608 9.033 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 11 8.471 7.453 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.496 10.412 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.538 9.712 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.459 8.913 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.480 9.766 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.728 11.905 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.578 11.026 -6.121 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.825 11.558 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.908 10.346 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.772 12.483 -6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.222 12.053 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.110 13.228 -5.871 1.00 0.00 H new ATOM 248 N THR A 12 9.572 8.593 -0.924 1.00 0.00 N ATOM 249 CA THR A 12 10.718 8.473 0.016 1.00 0.00 C ATOM 250 C THR A 12 10.521 7.298 0.978 1.00 0.00 C ATOM 251 O THR A 12 11.272 7.138 1.918 1.00 0.00 O ATOM 252 CB THR A 12 10.831 9.766 0.820 1.00 0.00 C ATOM 253 OG1 THR A 12 9.653 9.945 1.594 1.00 0.00 O ATOM 254 CG2 THR A 12 11.003 10.951 -0.133 1.00 0.00 C ATOM 0 H THR A 12 8.764 9.100 -0.562 1.00 0.00 H new ATOM 0 HA THR A 12 11.627 8.297 -0.560 1.00 0.00 H new ATOM 0 HB THR A 12 11.696 9.708 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.929 10.266 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.083 11.873 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.908 10.813 -0.725 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.141 11.012 -0.797 1.00 0.00 H new ATOM 262 N ARG A 13 9.521 6.480 0.769 1.00 0.00 N ATOM 263 CA ARG A 13 9.306 5.336 1.704 1.00 0.00 C ATOM 264 C ARG A 13 9.014 4.047 0.934 1.00 0.00 C ATOM 265 O ARG A 13 9.805 3.123 0.931 1.00 0.00 O ATOM 266 CB ARG A 13 8.115 5.645 2.613 1.00 0.00 C ATOM 267 CG ARG A 13 8.355 6.951 3.378 1.00 0.00 C ATOM 268 CD ARG A 13 9.426 6.744 4.455 1.00 0.00 C ATOM 269 NE ARG A 13 9.431 7.914 5.377 1.00 0.00 N ATOM 270 CZ ARG A 13 10.089 7.855 6.502 1.00 0.00 C ATOM 271 NH1 ARG A 13 10.746 6.773 6.818 1.00 0.00 N ATOM 272 NH2 ARG A 13 10.089 8.879 7.312 1.00 0.00 N ATOM 0 H ARG A 13 8.853 6.553 0.002 1.00 0.00 H new ATOM 0 HA ARG A 13 10.213 5.198 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.206 5.726 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.963 4.826 3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.670 7.733 2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.426 7.287 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.226 5.829 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.406 6.627 3.992 1.00 0.00 H new ATOM 0 HE ARG A 13 8.920 8.761 5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.745 5.973 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.260 6.727 7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.575 9.725 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.603 8.833 8.192 1.00 0.00 H new ATOM 286 N CYS A 14 7.877 3.963 0.305 1.00 0.00 N ATOM 287 CA CYS A 14 7.527 2.716 -0.434 1.00 0.00 C ATOM 288 C CYS A 14 8.436 2.548 -1.657 1.00 0.00 C ATOM 289 O CYS A 14 8.678 1.448 -2.109 1.00 0.00 O ATOM 290 CB CYS A 14 6.067 2.779 -0.884 1.00 0.00 C ATOM 291 SG CYS A 14 5.065 3.757 0.281 1.00 0.00 S ATOM 0 H CYS A 14 7.174 4.702 0.269 1.00 0.00 H new ATOM 0 HA CYS A 14 7.668 1.862 0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.008 3.221 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.662 1.770 -0.959 1.00 0.00 H new ATOM 296 N LEU A 15 8.933 3.622 -2.203 1.00 0.00 N ATOM 297 CA LEU A 15 9.814 3.505 -3.402 1.00 0.00 C ATOM 298 C LEU A 15 10.978 2.557 -3.106 1.00 0.00 C ATOM 299 O LEU A 15 11.426 1.824 -3.965 1.00 0.00 O ATOM 300 CB LEU A 15 10.364 4.884 -3.768 1.00 0.00 C ATOM 301 CG LEU A 15 11.200 4.787 -5.050 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.291 4.476 -6.241 1.00 0.00 C ATOM 303 CD2 LEU A 15 11.911 6.121 -5.291 1.00 0.00 C ATOM 0 H LEU A 15 8.769 4.573 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 15 9.232 3.109 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.543 5.587 -3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.976 5.270 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 15 11.935 3.990 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.891 4.408 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.781 3.528 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.553 5.270 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.507 6.057 -6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.171 6.914 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.563 6.344 -4.446 1.00 0.00 H new ATOM 315 N GLN A 16 11.483 2.575 -1.905 1.00 0.00 N ATOM 316 CA GLN A 16 12.630 1.686 -1.568 1.00 0.00 C ATOM 317 C GLN A 16 12.263 0.220 -1.823 1.00 0.00 C ATOM 318 O GLN A 16 13.085 -0.558 -2.261 1.00 0.00 O ATOM 319 CB GLN A 16 12.993 1.866 -0.092 1.00 0.00 C ATOM 320 CG GLN A 16 13.499 3.292 0.139 1.00 0.00 C ATOM 321 CD GLN A 16 13.823 3.485 1.622 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.384 2.717 2.455 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.577 4.485 1.988 1.00 0.00 N ATOM 0 H GLN A 16 11.152 3.166 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 16 13.479 1.952 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.122 1.672 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.759 1.146 0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.387 3.476 -0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.744 4.013 -0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.945 5.129 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.798 4.623 2.974 1.00 0.00 H new ATOM 332 N CYS A 17 11.043 -0.168 -1.544 1.00 0.00 N ATOM 333 CA CYS A 17 10.647 -1.592 -1.764 1.00 0.00 C ATOM 334 C CYS A 17 9.625 -1.704 -2.901 1.00 0.00 C ATOM 335 O CYS A 17 9.724 -2.568 -3.748 1.00 0.00 O ATOM 336 CB CYS A 17 10.038 -2.150 -0.476 1.00 0.00 C ATOM 337 SG CYS A 17 11.287 -2.138 0.844 1.00 0.00 S ATOM 0 H CYS A 17 10.309 0.436 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 17 11.534 -2.163 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.176 -1.552 -0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.679 -3.166 -0.642 1.00 0.00 H new ATOM 342 N HIS A 18 8.637 -0.854 -2.919 1.00 0.00 N ATOM 343 CA HIS A 18 7.606 -0.939 -3.999 1.00 0.00 C ATOM 344 C HIS A 18 7.902 0.065 -5.107 1.00 0.00 C ATOM 345 O HIS A 18 8.434 1.127 -4.872 1.00 0.00 O ATOM 346 CB HIS A 18 6.226 -0.597 -3.446 1.00 0.00 C ATOM 347 CG HIS A 18 5.839 -1.540 -2.351 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.470 -2.859 -2.594 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.698 -1.349 -1.006 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.115 -3.399 -1.410 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.238 -2.512 -0.422 1.00 0.00 N ATOM 0 H HIS A 18 8.496 -0.107 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 18 7.629 -1.957 -4.387 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.225 0.425 -3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.488 -0.641 -4.247 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.468 -3.330 -3.499 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.913 -0.430 -0.481 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.776 -4.416 -1.279 1.00 0.00 H new ATOM 359 N THR A 19 7.519 -0.255 -6.309 1.00 0.00 N ATOM 360 CA THR A 19 7.727 0.690 -7.439 1.00 0.00 C ATOM 361 C THR A 19 6.407 0.825 -8.200 1.00 0.00 C ATOM 362 O THR A 19 5.823 -0.153 -8.624 1.00 0.00 O ATOM 363 CB THR A 19 8.794 0.145 -8.379 1.00 0.00 C ATOM 364 OG1 THR A 19 9.932 -0.252 -7.628 1.00 0.00 O ATOM 365 CG2 THR A 19 9.194 1.229 -9.382 1.00 0.00 C ATOM 0 H THR A 19 7.068 -1.135 -6.559 1.00 0.00 H new ATOM 0 HA THR A 19 8.051 1.659 -7.059 1.00 0.00 H new ATOM 0 HB THR A 19 8.397 -0.717 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.747 0.002 -8.110 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.958 0.838 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.320 1.530 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.589 2.092 -8.846 1.00 0.00 H new ATOM 373 N VAL A 20 5.929 2.022 -8.379 1.00 0.00 N ATOM 374 CA VAL A 20 4.646 2.209 -9.114 1.00 0.00 C ATOM 375 C VAL A 20 4.903 2.103 -10.619 1.00 0.00 C ATOM 376 O VAL A 20 4.010 1.832 -11.396 1.00 0.00 O ATOM 377 CB VAL A 20 4.086 3.593 -8.799 1.00 0.00 C ATOM 378 CG1 VAL A 20 3.878 3.729 -7.291 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.083 4.651 -9.272 1.00 0.00 C ATOM 0 H VAL A 20 6.370 2.881 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 20 3.934 1.442 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 20 3.132 3.729 -9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.478 4.718 -7.067 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.176 2.968 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.831 3.599 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.692 5.644 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.033 4.512 -8.756 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.236 4.552 -10.347 1.00 0.00 H new ATOM 389 N GLU A 21 6.120 2.330 -11.034 1.00 0.00 N ATOM 390 CA GLU A 21 6.446 2.262 -12.487 1.00 0.00 C ATOM 391 C GLU A 21 6.015 0.910 -13.055 1.00 0.00 C ATOM 392 O GLU A 21 6.070 -0.104 -12.388 1.00 0.00 O ATOM 393 CB GLU A 21 7.954 2.431 -12.679 1.00 0.00 C ATOM 394 CG GLU A 21 8.380 3.809 -12.171 1.00 0.00 C ATOM 395 CD GLU A 21 9.877 4.006 -12.421 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.526 3.044 -12.797 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.349 5.116 -12.232 1.00 0.00 O ATOM 0 H GLU A 21 6.906 2.561 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 21 5.916 3.058 -13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.490 1.651 -12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.212 2.324 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.810 4.587 -12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.164 3.899 -11.106 1.00 0.00 H new ATOM 404 N LYS A 22 5.588 0.890 -14.289 1.00 0.00 N ATOM 405 CA LYS A 22 5.156 -0.392 -14.907 1.00 0.00 C ATOM 406 C LYS A 22 6.368 -1.316 -15.043 1.00 0.00 C ATOM 407 O LYS A 22 7.425 -0.909 -15.479 1.00 0.00 O ATOM 408 CB LYS A 22 4.565 -0.119 -16.292 1.00 0.00 C ATOM 409 CG LYS A 22 3.946 -1.404 -16.846 1.00 0.00 C ATOM 410 CD LYS A 22 3.409 -1.145 -18.255 1.00 0.00 C ATOM 411 CE LYS A 22 2.665 -2.386 -18.753 1.00 0.00 C ATOM 412 NZ LYS A 22 1.246 -2.328 -18.303 1.00 0.00 N ATOM 0 H LYS A 22 5.520 1.708 -14.895 1.00 0.00 H new ATOM 0 HA LYS A 22 4.401 -0.865 -14.280 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.809 0.663 -16.228 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.342 0.243 -16.966 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.692 -2.199 -16.870 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.140 -1.742 -16.195 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.740 -0.285 -18.248 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.230 -0.905 -18.930 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.711 -2.439 -19.841 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.143 -3.288 -18.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.740 -3.171 -18.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.212 -2.297 -17.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.794 -1.475 -18.689 1.00 0.00 H new ATOM 426 N GLY A 23 6.223 -2.554 -14.664 1.00 0.00 N ATOM 427 CA GLY A 23 7.367 -3.504 -14.763 1.00 0.00 C ATOM 428 C GLY A 23 7.420 -4.353 -13.495 1.00 0.00 C ATOM 429 O GLY A 23 6.524 -5.126 -13.218 1.00 0.00 O ATOM 0 H GLY A 23 5.361 -2.950 -14.289 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.251 -4.142 -15.639 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.301 -2.957 -14.889 1.00 0.00 H new ATOM 433 N GLY A 24 8.458 -4.217 -12.716 1.00 0.00 N ATOM 434 CA GLY A 24 8.548 -5.018 -11.465 1.00 0.00 C ATOM 435 C GLY A 24 10.013 -5.267 -11.098 1.00 0.00 C ATOM 436 O GLY A 24 10.434 -6.395 -10.939 1.00 0.00 O ATOM 0 H GLY A 24 9.243 -3.589 -12.891 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.047 -4.493 -10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.032 -5.969 -11.596 1.00 0.00 H new ATOM 440 N PRO A 25 10.782 -4.221 -10.949 1.00 0.00 N ATOM 441 CA PRO A 25 12.221 -4.334 -10.576 1.00 0.00 C ATOM 442 C PRO A 25 12.395 -5.078 -9.250 1.00 0.00 C ATOM 443 O PRO A 25 13.411 -5.694 -8.997 1.00 0.00 O ATOM 444 CB PRO A 25 12.698 -2.881 -10.444 1.00 0.00 C ATOM 445 CG PRO A 25 11.459 -2.046 -10.379 1.00 0.00 C ATOM 446 CD PRO A 25 10.372 -2.821 -11.116 1.00 0.00 C ATOM 0 HA PRO A 25 12.790 -4.898 -11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.305 -2.749 -9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.318 -2.595 -11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.170 -1.862 -9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.623 -1.073 -10.842 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.387 -2.637 -10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.321 -2.540 -12.168 1.00 0.00 H new ATOM 454 N HIS A 26 11.400 -5.028 -8.407 1.00 0.00 N ATOM 455 CA HIS A 26 11.486 -5.735 -7.099 1.00 0.00 C ATOM 456 C HIS A 26 12.847 -5.467 -6.454 1.00 0.00 C ATOM 457 O HIS A 26 13.597 -6.378 -6.168 1.00 0.00 O ATOM 458 CB HIS A 26 11.313 -7.238 -7.318 1.00 0.00 C ATOM 459 CG HIS A 26 10.047 -7.488 -8.087 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.837 -6.906 -7.735 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.787 -8.259 -9.189 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.912 -7.332 -8.615 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.441 -8.158 -9.520 1.00 0.00 N ATOM 0 H HIS A 26 10.527 -4.525 -8.569 1.00 0.00 H new ATOM 0 HA HIS A 26 10.698 -5.369 -6.441 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.168 -7.638 -7.863 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.277 -7.755 -6.359 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.678 -6.271 -6.952 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.516 -8.854 -9.719 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.872 -7.042 -8.592 1.00 0.00 H new ATOM 472 N LYS A 27 13.174 -4.225 -6.224 1.00 0.00 N ATOM 473 CA LYS A 27 14.491 -3.908 -5.600 1.00 0.00 C ATOM 474 C LYS A 27 14.627 -4.663 -4.276 1.00 0.00 C ATOM 475 O LYS A 27 15.671 -5.202 -3.965 1.00 0.00 O ATOM 476 CB LYS A 27 14.577 -2.404 -5.339 1.00 0.00 C ATOM 477 CG LYS A 27 15.946 -2.068 -4.745 1.00 0.00 C ATOM 478 CD LYS A 27 16.016 -0.571 -4.438 1.00 0.00 C ATOM 479 CE LYS A 27 17.433 -0.206 -3.993 1.00 0.00 C ATOM 480 NZ LYS A 27 17.616 -0.583 -2.563 1.00 0.00 N ATOM 0 H LYS A 27 12.589 -3.418 -6.440 1.00 0.00 H new ATOM 0 HA LYS A 27 15.294 -4.210 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.426 -1.854 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.786 -2.097 -4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.111 -2.645 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.735 -2.344 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.741 0.005 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.301 -0.316 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.165 -0.723 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.603 0.863 -4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.579 -0.335 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.926 -0.070 -1.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.471 -1.607 -2.453 1.00 0.00 H new ATOM 494 N VAL A 28 13.581 -4.708 -3.498 1.00 0.00 N ATOM 495 CA VAL A 28 13.645 -5.429 -2.194 1.00 0.00 C ATOM 496 C VAL A 28 12.446 -6.372 -2.074 1.00 0.00 C ATOM 497 O VAL A 28 12.598 -7.563 -1.886 1.00 0.00 O ATOM 498 CB VAL A 28 13.614 -4.418 -1.049 1.00 0.00 C ATOM 499 CG1 VAL A 28 14.132 -5.077 0.230 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.500 -3.222 -1.402 1.00 0.00 C ATOM 0 H VAL A 28 12.682 -4.275 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 28 14.569 -6.006 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 28 12.590 -4.079 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.109 -4.355 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.501 -5.929 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.156 -5.417 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.479 -2.500 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.524 -3.562 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.130 -2.751 -2.313 1.00 0.00 H new ATOM 510 N GLY A 29 11.256 -5.844 -2.180 1.00 0.00 N ATOM 511 CA GLY A 29 10.037 -6.699 -2.075 1.00 0.00 C ATOM 512 C GLY A 29 9.181 -6.514 -3.328 1.00 0.00 C ATOM 513 O GLY A 29 9.457 -5.672 -4.157 1.00 0.00 O ATOM 0 H GLY A 29 11.075 -4.852 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.321 -7.746 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.465 -6.430 -1.187 1.00 0.00 H new ATOM 517 N PRO A 30 8.147 -7.301 -3.461 1.00 0.00 N ATOM 518 CA PRO A 30 7.236 -7.224 -4.630 1.00 0.00 C ATOM 519 C PRO A 30 6.873 -5.777 -4.969 1.00 0.00 C ATOM 520 O PRO A 30 6.816 -4.925 -4.105 1.00 0.00 O ATOM 521 CB PRO A 30 5.985 -7.996 -4.199 1.00 0.00 C ATOM 522 CG PRO A 30 6.326 -8.731 -2.936 1.00 0.00 C ATOM 523 CD PRO A 30 7.746 -8.343 -2.514 1.00 0.00 C ATOM 0 HA PRO A 30 7.701 -7.636 -5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.151 -7.314 -4.033 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.677 -8.693 -4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.615 -8.480 -2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.259 -9.807 -3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.767 -7.974 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.420 -9.199 -2.559 1.00 0.00 H new ATOM 531 N ASN A 31 6.637 -5.489 -6.218 1.00 0.00 N ATOM 532 CA ASN A 31 6.291 -4.093 -6.605 1.00 0.00 C ATOM 533 C ASN A 31 4.777 -3.963 -6.778 1.00 0.00 C ATOM 534 O ASN A 31 4.141 -4.760 -7.439 1.00 0.00 O ATOM 535 CB ASN A 31 7.007 -3.741 -7.906 1.00 0.00 C ATOM 536 CG ASN A 31 8.512 -3.696 -7.644 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.297 -3.544 -8.558 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.949 -3.813 -6.419 1.00 0.00 N ATOM 0 H ASN A 31 6.669 -6.159 -6.987 1.00 0.00 H new ATOM 0 HA ASN A 31 6.611 -3.404 -5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.780 -4.481 -8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.660 -2.777 -8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.951 -3.777 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.289 -3.941 -5.652 1.00 0.00 H new ATOM 545 N LEU A 32 4.199 -2.966 -6.165 1.00 0.00 N ATOM 546 CA LEU A 32 2.725 -2.770 -6.256 1.00 0.00 C ATOM 547 C LEU A 32 2.399 -1.615 -7.200 1.00 0.00 C ATOM 548 O LEU A 32 3.159 -0.679 -7.343 1.00 0.00 O ATOM 549 CB LEU A 32 2.181 -2.430 -4.870 1.00 0.00 C ATOM 550 CG LEU A 32 1.620 -3.678 -4.165 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.477 -4.916 -4.454 1.00 0.00 C ATOM 552 CD2 LEU A 32 1.604 -3.431 -2.655 1.00 0.00 C ATOM 0 H LEU A 32 4.690 -2.273 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 32 2.271 -3.686 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.974 -1.993 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.397 -1.678 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 32 0.613 -3.860 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.053 -5.780 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.494 -5.104 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.493 -4.746 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.208 -4.310 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.619 -3.237 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.974 -2.569 -2.434 1.00 0.00 H new ATOM 564 N HIS A 33 1.260 -1.678 -7.833 1.00 0.00 N ATOM 565 CA HIS A 33 0.850 -0.596 -8.764 1.00 0.00 C ATOM 566 C HIS A 33 -0.553 -0.884 -9.300 1.00 0.00 C ATOM 567 O HIS A 33 -0.719 -1.523 -10.318 1.00 0.00 O ATOM 568 CB HIS A 33 1.831 -0.540 -9.934 1.00 0.00 C ATOM 569 CG HIS A 33 1.425 0.556 -10.881 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.481 1.897 -10.528 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.957 0.526 -12.171 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.055 2.612 -11.585 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.725 1.825 -12.610 1.00 0.00 N ATOM 0 H HIS A 33 0.591 -2.442 -7.742 1.00 0.00 H new ATOM 0 HA HIS A 33 0.849 0.357 -8.234 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.841 -0.361 -9.566 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.846 -1.497 -10.455 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.794 -0.368 -12.755 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.988 3.690 -11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.376 2.115 -13.524 1.00 0.00 H new ATOM 582 N GLY A 34 -1.564 -0.401 -8.633 1.00 0.00 N ATOM 583 CA GLY A 34 -2.951 -0.635 -9.122 1.00 0.00 C ATOM 584 C GLY A 34 -3.597 -1.813 -8.386 1.00 0.00 C ATOM 585 O GLY A 34 -4.714 -2.188 -8.680 1.00 0.00 O ATOM 0 H GLY A 34 -1.490 0.144 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.550 0.264 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.935 -0.835 -10.193 1.00 0.00 H new ATOM 589 N ILE A 35 -2.925 -2.405 -7.433 1.00 0.00 N ATOM 590 CA ILE A 35 -3.557 -3.546 -6.713 1.00 0.00 C ATOM 591 C ILE A 35 -4.839 -3.061 -6.041 1.00 0.00 C ATOM 592 O ILE A 35 -5.632 -3.840 -5.557 1.00 0.00 O ATOM 593 CB ILE A 35 -2.599 -4.116 -5.657 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.359 -3.097 -4.529 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.266 -4.455 -6.322 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.696 -3.803 -3.345 1.00 0.00 C ATOM 0 H ILE A 35 -1.985 -2.153 -7.128 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.788 -4.336 -7.428 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.046 -5.012 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.725 -2.285 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.304 -2.651 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.581 -4.860 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.428 -5.194 -7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.837 -3.553 -6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.524 -3.085 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.347 -4.600 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.744 -4.228 -3.662 1.00 0.00 H new ATOM 608 N PHE A 36 -5.038 -1.775 -6.003 1.00 0.00 N ATOM 609 CA PHE A 36 -6.256 -1.221 -5.356 1.00 0.00 C ATOM 610 C PHE A 36 -7.497 -1.984 -5.832 1.00 0.00 C ATOM 611 O PHE A 36 -8.452 -2.139 -5.098 1.00 0.00 O ATOM 612 CB PHE A 36 -6.393 0.258 -5.728 1.00 0.00 C ATOM 613 CG PHE A 36 -5.572 1.106 -4.782 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.167 1.080 -4.830 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.223 1.935 -3.858 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.425 1.879 -3.950 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.479 2.733 -2.982 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.081 2.704 -3.027 1.00 0.00 C ATOM 0 H PHE A 36 -4.404 -1.079 -6.396 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.169 -1.325 -4.275 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.060 0.416 -6.754 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.440 0.558 -5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.661 0.446 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.302 1.958 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.346 1.859 -3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.984 3.371 -2.272 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.507 3.318 -2.349 1.00 0.00 H new ATOM 628 N GLY A 37 -7.494 -2.457 -7.051 1.00 0.00 N ATOM 629 CA GLY A 37 -8.681 -3.203 -7.568 1.00 0.00 C ATOM 630 C GLY A 37 -8.312 -4.668 -7.821 1.00 0.00 C ATOM 631 O GLY A 37 -8.756 -5.269 -8.780 1.00 0.00 O ATOM 0 H GLY A 37 -6.722 -2.359 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.498 -3.145 -6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.035 -2.744 -8.491 1.00 0.00 H new ATOM 635 N ARG A 38 -7.505 -5.250 -6.975 1.00 0.00 N ATOM 636 CA ARG A 38 -7.115 -6.677 -7.181 1.00 0.00 C ATOM 637 C ARG A 38 -7.156 -7.435 -5.857 1.00 0.00 C ATOM 638 O ARG A 38 -7.268 -6.856 -4.795 1.00 0.00 O ATOM 639 CB ARG A 38 -5.696 -6.752 -7.748 1.00 0.00 C ATOM 640 CG ARG A 38 -5.656 -6.143 -9.152 1.00 0.00 C ATOM 641 CD ARG A 38 -6.273 -7.117 -10.163 1.00 0.00 C ATOM 642 NE ARG A 38 -5.947 -6.665 -11.545 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.719 -7.004 -12.542 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.776 -7.739 -12.330 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.433 -6.607 -13.752 1.00 0.00 N ATOM 0 H ARG A 38 -7.100 -4.802 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.819 -7.128 -7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.006 -6.220 -7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.365 -7.790 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.202 -5.199 -9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.626 -5.919 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.888 -8.123 -9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.354 -7.163 -10.028 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.121 -6.091 -11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.000 -8.049 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.378 -8.003 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.607 -6.032 -13.918 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.036 -6.871 -14.531 1.00 0.00 H new ATOM 659 N HIS A 39 -7.056 -8.734 -5.922 1.00 0.00 N ATOM 660 CA HIS A 39 -7.076 -9.553 -4.681 1.00 0.00 C ATOM 661 C HIS A 39 -5.651 -9.722 -4.172 1.00 0.00 C ATOM 662 O HIS A 39 -4.715 -9.827 -4.940 1.00 0.00 O ATOM 663 CB HIS A 39 -7.656 -10.933 -4.986 1.00 0.00 C ATOM 664 CG HIS A 39 -9.157 -10.864 -4.993 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.848 -10.007 -5.832 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.114 -11.556 -4.292 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.160 -10.203 -5.624 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.376 -11.136 -4.695 1.00 0.00 N ATOM 0 H HIS A 39 -6.961 -9.265 -6.788 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.688 -9.055 -3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.294 -11.284 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.319 -11.652 -4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.917 -12.309 -3.544 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.943 -9.671 -6.144 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.277 -11.470 -4.353 1.00 0.00 H new ATOM 677 N SER A 40 -5.473 -9.758 -2.884 1.00 0.00 N ATOM 678 CA SER A 40 -4.104 -9.929 -2.346 1.00 0.00 C ATOM 679 C SER A 40 -3.495 -11.191 -2.944 1.00 0.00 C ATOM 680 O SER A 40 -4.136 -12.220 -3.035 1.00 0.00 O ATOM 681 CB SER A 40 -4.161 -10.071 -0.827 1.00 0.00 C ATOM 682 OG SER A 40 -4.095 -8.784 -0.233 1.00 0.00 O ATOM 0 H SER A 40 -6.213 -9.677 -2.186 1.00 0.00 H new ATOM 0 HA SER A 40 -3.498 -9.060 -2.604 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.082 -10.574 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.334 -10.689 -0.477 1.00 0.00 H new ATOM 0 HG SER A 40 -4.794 -8.212 -0.614 1.00 0.00 H new ATOM 688 N GLY A 41 -2.263 -11.120 -3.349 1.00 0.00 N ATOM 689 CA GLY A 41 -1.605 -12.317 -3.940 1.00 0.00 C ATOM 690 C GLY A 41 -1.504 -12.170 -5.457 1.00 0.00 C ATOM 691 O GLY A 41 -0.925 -13.002 -6.127 1.00 0.00 O ATOM 0 H GLY A 41 -1.680 -10.285 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.610 -12.442 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.174 -13.213 -3.691 1.00 0.00 H new ATOM 695 N GLN A 42 -2.061 -11.125 -6.008 1.00 0.00 N ATOM 696 CA GLN A 42 -1.987 -10.944 -7.486 1.00 0.00 C ATOM 697 C GLN A 42 -0.995 -9.832 -7.821 1.00 0.00 C ATOM 698 O GLN A 42 -1.188 -8.684 -7.470 1.00 0.00 O ATOM 699 CB GLN A 42 -3.373 -10.580 -8.015 1.00 0.00 C ATOM 700 CG GLN A 42 -4.335 -11.721 -7.693 1.00 0.00 C ATOM 701 CD GLN A 42 -5.704 -11.429 -8.308 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.897 -10.300 -8.933 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -6.609 -12.235 -8.216 1.00 0.00 N flip ATOM 0 H GLN A 42 -2.561 -10.394 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.650 -11.870 -7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.720 -9.653 -7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.334 -10.411 -9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.943 -12.661 -8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.428 -11.838 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.458 -13.118 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.519 -12.029 -8.627 1.00 0.00 H new ATOM 712 N ALA A 43 0.063 -10.164 -8.509 1.00 0.00 N ATOM 713 CA ALA A 43 1.069 -9.132 -8.878 1.00 0.00 C ATOM 714 C ALA A 43 1.501 -9.339 -10.331 1.00 0.00 C ATOM 715 O ALA A 43 1.455 -10.434 -10.855 1.00 0.00 O ATOM 716 CB ALA A 43 2.288 -9.250 -7.963 1.00 0.00 C ATOM 0 H ALA A 43 0.273 -11.109 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 43 0.628 -8.142 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.023 -8.493 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.981 -9.101 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.730 -10.240 -8.072 1.00 0.00 H new ATOM 722 N GLU A 44 1.921 -8.292 -10.982 1.00 0.00 N ATOM 723 CA GLU A 44 2.358 -8.413 -12.400 1.00 0.00 C ATOM 724 C GLU A 44 3.848 -8.749 -12.444 1.00 0.00 C ATOM 725 O GLU A 44 4.306 -9.486 -13.294 1.00 0.00 O ATOM 726 CB GLU A 44 2.111 -7.089 -13.125 1.00 0.00 C ATOM 727 CG GLU A 44 0.609 -6.796 -13.153 1.00 0.00 C ATOM 728 CD GLU A 44 0.352 -5.509 -13.937 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.315 -4.834 -14.261 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.803 -5.219 -14.198 1.00 0.00 O ATOM 0 H GLU A 44 1.981 -7.352 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 44 1.791 -9.205 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.641 -6.281 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.502 -7.140 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.075 -7.627 -13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.229 -6.697 -12.136 1.00 0.00 H new ATOM 737 N GLY A 45 4.607 -8.204 -11.534 1.00 0.00 N ATOM 738 CA GLY A 45 6.067 -8.479 -11.520 1.00 0.00 C ATOM 739 C GLY A 45 6.349 -9.719 -10.675 1.00 0.00 C ATOM 740 O GLY A 45 6.684 -10.766 -11.193 1.00 0.00 O ATOM 0 H GLY A 45 4.276 -7.579 -10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.428 -8.631 -12.537 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.605 -7.621 -11.115 1.00 0.00 H new ATOM 744 N TYR A 46 6.224 -9.608 -9.378 1.00 0.00 N ATOM 745 CA TYR A 46 6.493 -10.781 -8.499 1.00 0.00 C ATOM 746 C TYR A 46 5.274 -11.114 -7.654 1.00 0.00 C ATOM 747 O TYR A 46 4.685 -10.261 -7.022 1.00 0.00 O ATOM 748 CB TYR A 46 7.678 -10.478 -7.579 1.00 0.00 C ATOM 749 CG TYR A 46 7.682 -11.456 -6.426 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.633 -12.834 -6.675 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.728 -10.985 -5.107 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.631 -13.739 -5.608 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.727 -11.892 -4.038 1.00 0.00 C ATOM 754 CZ TYR A 46 7.678 -13.268 -4.290 1.00 0.00 C ATOM 755 OH TYR A 46 7.676 -14.161 -3.238 1.00 0.00 O ATOM 0 H TYR A 46 5.947 -8.755 -8.891 1.00 0.00 H new ATOM 0 HA TYR A 46 6.726 -11.637 -9.133 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.612 -10.551 -8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.609 -9.457 -7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.597 -13.198 -7.691 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.764 -9.923 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.593 -14.801 -5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.764 -11.529 -3.021 1.00 0.00 H new ATOM 0 HH TYR A 46 7.713 -13.669 -2.391 1.00 0.00 H new ATOM 765 N SER A 47 4.906 -12.364 -7.624 1.00 0.00 N ATOM 766 CA SER A 47 3.741 -12.767 -6.804 1.00 0.00 C ATOM 767 C SER A 47 4.102 -12.579 -5.334 1.00 0.00 C ATOM 768 O SER A 47 5.249 -12.674 -4.947 1.00 0.00 O ATOM 769 CB SER A 47 3.409 -14.235 -7.070 1.00 0.00 C ATOM 770 OG SER A 47 4.373 -15.059 -6.428 1.00 0.00 O ATOM 0 H SER A 47 5.364 -13.120 -8.133 1.00 0.00 H new ATOM 0 HA SER A 47 2.873 -12.159 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.411 -14.467 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.404 -14.430 -8.142 1.00 0.00 H new ATOM 0 HG SER A 47 4.162 -16.001 -6.596 1.00 0.00 H new ATOM 776 N TYR A 48 3.135 -12.307 -4.518 1.00 0.00 N ATOM 777 CA TYR A 48 3.413 -12.103 -3.071 1.00 0.00 C ATOM 778 C TYR A 48 3.958 -13.396 -2.455 1.00 0.00 C ATOM 779 O TYR A 48 4.144 -14.389 -3.130 1.00 0.00 O ATOM 780 CB TYR A 48 2.123 -11.702 -2.365 1.00 0.00 C ATOM 781 CG TYR A 48 1.646 -10.373 -2.905 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.002 -10.301 -4.146 1.00 0.00 C ATOM 783 CD2 TYR A 48 1.848 -9.211 -2.155 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.563 -9.064 -4.634 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.410 -7.975 -2.642 1.00 0.00 C ATOM 786 CZ TYR A 48 0.767 -7.901 -3.883 1.00 0.00 C ATOM 787 OH TYR A 48 0.335 -6.683 -4.364 1.00 0.00 O ATOM 0 H TYR A 48 2.156 -12.215 -4.788 1.00 0.00 H new ATOM 0 HA TYR A 48 4.157 -11.315 -2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.359 -12.464 -2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.291 -11.631 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.844 -11.198 -4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.344 -9.268 -1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.066 -9.008 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.568 -7.078 -2.061 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.281 -6.277 -3.719 1.00 0.00 H new ATOM 797 N THR A 49 4.218 -13.386 -1.175 1.00 0.00 N ATOM 798 CA THR A 49 4.754 -14.607 -0.506 1.00 0.00 C ATOM 799 C THR A 49 3.679 -15.694 -0.484 1.00 0.00 C ATOM 800 O THR A 49 2.499 -15.414 -0.421 1.00 0.00 O ATOM 801 CB THR A 49 5.162 -14.265 0.928 1.00 0.00 C ATOM 802 OG1 THR A 49 6.091 -13.191 0.911 1.00 0.00 O ATOM 803 CG2 THR A 49 5.807 -15.488 1.583 1.00 0.00 C ATOM 0 H THR A 49 4.082 -12.582 -0.562 1.00 0.00 H new ATOM 0 HA THR A 49 5.623 -14.969 -1.056 1.00 0.00 H new ATOM 0 HB THR A 49 4.279 -13.974 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.002 -13.547 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.097 -15.243 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.094 -16.312 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.690 -15.781 1.015 1.00 0.00 H new ATOM 811 N ASP A 50 4.078 -16.936 -0.542 1.00 0.00 N ATOM 812 CA ASP A 50 3.082 -18.041 -0.533 1.00 0.00 C ATOM 813 C ASP A 50 2.107 -17.848 0.631 1.00 0.00 C ATOM 814 O ASP A 50 0.921 -18.076 0.499 1.00 0.00 O ATOM 815 CB ASP A 50 3.813 -19.373 -0.374 1.00 0.00 C ATOM 816 CG ASP A 50 4.624 -19.665 -1.637 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.421 -18.973 -2.621 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.434 -20.577 -1.601 1.00 0.00 O ATOM 0 H ASP A 50 5.053 -17.232 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 50 2.524 -18.038 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.472 -19.337 0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.096 -20.174 -0.196 1.00 0.00 H new ATOM 823 N ALA A 51 2.587 -17.419 1.768 1.00 0.00 N ATOM 824 CA ALA A 51 1.666 -17.209 2.919 1.00 0.00 C ATOM 825 C ALA A 51 0.682 -16.097 2.559 1.00 0.00 C ATOM 826 O ALA A 51 -0.520 -16.249 2.672 1.00 0.00 O ATOM 827 CB ALA A 51 2.471 -16.802 4.155 1.00 0.00 C ATOM 0 H ALA A 51 3.568 -17.207 1.947 1.00 0.00 H new ATOM 0 HA ALA A 51 1.125 -18.130 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.794 -16.649 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.183 -17.590 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.010 -15.877 3.950 1.00 0.00 H new ATOM 833 N ASN A 52 1.185 -14.987 2.102 1.00 0.00 N ATOM 834 CA ASN A 52 0.288 -13.869 1.707 1.00 0.00 C ATOM 835 C ASN A 52 -0.649 -14.354 0.603 1.00 0.00 C ATOM 836 O ASN A 52 -1.831 -14.075 0.605 1.00 0.00 O ATOM 837 CB ASN A 52 1.131 -12.708 1.183 1.00 0.00 C ATOM 838 CG ASN A 52 0.209 -11.577 0.723 1.00 0.00 C ATOM 839 OD1 ASN A 52 0.717 -10.545 0.107 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 -0.987 -11.633 0.927 1.00 0.00 N flip ATOM 0 H ASN A 52 2.182 -14.805 1.985 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.294 -13.537 2.567 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.802 -12.350 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.756 -13.043 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.385 -12.439 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.593 -10.874 0.617 1.00 0.00 H new ATOM 847 N ILE A 53 -0.123 -15.087 -0.338 1.00 0.00 N ATOM 848 CA ILE A 53 -0.968 -15.604 -1.447 1.00 0.00 C ATOM 849 C ILE A 53 -2.001 -16.583 -0.890 1.00 0.00 C ATOM 850 O ILE A 53 -3.097 -16.699 -1.402 1.00 0.00 O ATOM 851 CB ILE A 53 -0.087 -16.309 -2.473 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.870 -15.291 -3.100 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.963 -16.930 -3.562 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.880 -16.017 -3.991 1.00 0.00 C ATOM 0 H ILE A 53 0.861 -15.351 -0.386 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.485 -14.774 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 53 0.487 -17.096 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.309 -14.563 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.391 -14.737 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.331 -17.433 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.644 -17.653 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.539 -16.147 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.560 -15.291 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.449 -16.727 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.351 -16.551 -4.781 1.00 0.00 H new ATOM 866 N LYS A 54 -1.668 -17.287 0.159 1.00 0.00 N ATOM 867 CA LYS A 54 -2.646 -18.247 0.738 1.00 0.00 C ATOM 868 C LYS A 54 -3.941 -17.497 1.039 1.00 0.00 C ATOM 869 O LYS A 54 -5.025 -17.956 0.736 1.00 0.00 O ATOM 870 CB LYS A 54 -2.084 -18.835 2.030 1.00 0.00 C ATOM 871 CG LYS A 54 -3.067 -19.862 2.591 1.00 0.00 C ATOM 872 CD LYS A 54 -2.537 -20.399 3.923 1.00 0.00 C ATOM 873 CE LYS A 54 -3.449 -21.521 4.422 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.254 -21.031 5.577 1.00 0.00 N ATOM 0 H LYS A 54 -0.767 -17.238 0.635 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.837 -19.056 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.119 -19.305 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.913 -18.043 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.046 -19.404 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.199 -20.680 1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.520 -20.771 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.494 -19.596 4.659 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.109 -21.852 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.853 -22.383 4.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.874 -21.794 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.617 -20.736 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.834 -20.221 5.277 1.00 0.00 H new ATOM 888 N LYS A 55 -3.832 -16.332 1.613 1.00 0.00 N ATOM 889 CA LYS A 55 -5.053 -15.533 1.911 1.00 0.00 C ATOM 890 C LYS A 55 -5.194 -14.451 0.840 1.00 0.00 C ATOM 891 O LYS A 55 -4.300 -13.652 0.638 1.00 0.00 O ATOM 892 CB LYS A 55 -4.918 -14.880 3.288 1.00 0.00 C ATOM 893 CG LYS A 55 -6.267 -14.289 3.704 1.00 0.00 C ATOM 894 CD LYS A 55 -6.121 -13.582 5.053 1.00 0.00 C ATOM 895 CE LYS A 55 -7.501 -13.167 5.565 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.350 -12.097 6.592 1.00 0.00 N ATOM 0 H LYS A 55 -2.951 -15.899 1.889 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.932 -16.177 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.589 -15.616 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.159 -14.098 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.616 -13.585 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.016 -15.078 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.639 -14.244 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.482 -12.705 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.114 -12.808 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.015 -14.027 5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.227 -11.540 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.158 -12.529 7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.560 -11.474 6.330 1.00 0.00 H new ATOM 910 N ASN A 56 -6.301 -14.423 0.146 1.00 0.00 N ATOM 911 CA ASN A 56 -6.488 -13.397 -0.923 1.00 0.00 C ATOM 912 C ASN A 56 -7.779 -12.613 -0.676 1.00 0.00 C ATOM 913 O ASN A 56 -8.839 -13.178 -0.492 1.00 0.00 O ATOM 914 CB ASN A 56 -6.550 -14.099 -2.280 1.00 0.00 C ATOM 915 CG ASN A 56 -7.849 -14.900 -2.389 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.443 -15.257 -1.392 1.00 0.00 O ATOM 917 ND2 ASN A 56 -8.317 -15.201 -3.569 1.00 0.00 N ATOM 0 H ASN A 56 -7.083 -15.065 0.273 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.651 -12.698 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.497 -13.364 -3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.692 -14.761 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.181 -15.736 -3.654 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.819 -14.901 -4.407 1.00 0.00 H new ATOM 924 N VAL A 57 -7.692 -11.309 -0.661 1.00 0.00 N ATOM 925 CA VAL A 57 -8.904 -10.479 -0.418 1.00 0.00 C ATOM 926 C VAL A 57 -8.957 -9.316 -1.408 1.00 0.00 C ATOM 927 O VAL A 57 -7.957 -8.689 -1.696 1.00 0.00 O ATOM 928 CB VAL A 57 -8.856 -9.924 1.005 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.084 -9.048 1.259 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.841 -11.082 2.005 1.00 0.00 C ATOM 0 H VAL A 57 -6.830 -10.783 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.791 -11.099 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.954 -9.325 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.046 -8.654 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.094 -8.221 0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.988 -9.644 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.807 -10.686 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.742 -11.682 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.963 -11.704 1.828 1.00 0.00 H new ATOM 940 N LEU A 58 -10.120 -9.006 -1.915 1.00 0.00 N ATOM 941 CA LEU A 58 -10.230 -7.867 -2.866 1.00 0.00 C ATOM 942 C LEU A 58 -9.660 -6.624 -2.199 1.00 0.00 C ATOM 943 O LEU A 58 -9.791 -6.432 -1.006 1.00 0.00 O ATOM 944 CB LEU A 58 -11.695 -7.622 -3.227 1.00 0.00 C ATOM 945 CG LEU A 58 -11.807 -6.383 -4.126 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.063 -6.625 -5.440 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.282 -6.110 -4.425 1.00 0.00 C ATOM 0 H LEU A 58 -10.994 -9.491 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.678 -8.096 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.104 -8.493 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.284 -7.480 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.366 -5.527 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.146 -5.742 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.012 -6.824 -5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.500 -7.482 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.367 -5.231 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.716 -6.971 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.816 -5.933 -3.491 1.00 0.00 H new ATOM 959 N TRP A 59 -9.024 -5.782 -2.957 1.00 0.00 N ATOM 960 CA TRP A 59 -8.438 -4.556 -2.368 1.00 0.00 C ATOM 961 C TRP A 59 -9.327 -3.349 -2.666 1.00 0.00 C ATOM 962 O TRP A 59 -9.926 -3.244 -3.718 1.00 0.00 O ATOM 963 CB TRP A 59 -7.049 -4.340 -2.956 1.00 0.00 C ATOM 964 CG TRP A 59 -6.062 -5.161 -2.196 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.275 -6.130 -2.723 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.752 -5.110 -0.774 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.488 -6.660 -1.716 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.750 -6.065 -0.497 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.238 -4.328 0.291 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.245 -6.239 0.791 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.734 -4.504 1.588 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.739 -5.458 1.837 1.00 0.00 C ATOM 0 H TRP A 59 -8.885 -5.892 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.365 -4.671 -1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.039 -4.621 -4.009 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.779 -3.285 -2.905 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.264 -6.438 -3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.799 -7.399 -1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.003 -3.588 0.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.476 -6.974 0.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.115 -3.901 2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.354 -5.589 2.838 1.00 0.00 H new ATOM 983 N ASP A 60 -9.413 -2.438 -1.737 1.00 0.00 N ATOM 984 CA ASP A 60 -10.255 -1.228 -1.941 1.00 0.00 C ATOM 985 C ASP A 60 -9.611 -0.049 -1.213 1.00 0.00 C ATOM 986 O ASP A 60 -8.791 -0.227 -0.334 1.00 0.00 O ATOM 987 CB ASP A 60 -11.655 -1.478 -1.376 1.00 0.00 C ATOM 988 CG ASP A 60 -12.580 -0.326 -1.776 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.141 0.525 -2.531 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.712 -0.316 -1.320 1.00 0.00 O ATOM 0 H ASP A 60 -8.932 -2.481 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.333 -1.006 -3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.048 -2.422 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.611 -1.563 -0.290 1.00 0.00 H new ATOM 995 N GLU A 61 -9.964 1.153 -1.568 1.00 0.00 N ATOM 996 CA GLU A 61 -9.356 2.331 -0.891 1.00 0.00 C ATOM 997 C GLU A 61 -9.553 2.200 0.619 1.00 0.00 C ATOM 998 O GLU A 61 -8.671 2.499 1.399 1.00 0.00 O ATOM 999 CB GLU A 61 -10.052 3.601 -1.378 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.879 3.734 -2.891 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.566 5.011 -3.370 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.178 5.674 -2.549 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.472 5.305 -4.550 1.00 0.00 O ATOM 0 H GLU A 61 -10.645 1.371 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.292 2.380 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.112 3.567 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.632 4.473 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.820 3.760 -3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.307 2.867 -3.395 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.703 1.749 1.036 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.956 1.594 2.496 1.00 0.00 C ATOM 1012 C ASN A 62 -10.219 0.360 3.023 1.00 0.00 C ATOM 1013 O ASN A 62 -9.610 0.391 4.074 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.459 1.428 2.737 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.187 2.709 2.324 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.578 3.750 2.187 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.475 2.673 2.117 1.00 0.00 N ATOM 0 H ASN A 62 -11.478 1.481 0.430 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.595 2.480 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.838 0.581 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.648 1.213 3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.971 3.520 1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.986 1.798 2.232 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.274 -0.729 2.303 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.584 -1.965 2.767 1.00 0.00 C ATOM 1026 C ASN A 63 -8.076 -1.727 2.835 1.00 0.00 C ATOM 1027 O ASN A 63 -7.411 -2.152 3.760 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.876 -3.100 1.785 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.370 -3.427 1.810 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.076 -3.034 2.718 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.885 -4.140 0.845 1.00 0.00 N ATOM 0 H ASN A 63 -10.767 -0.815 1.414 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.947 -2.230 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.573 -2.811 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.295 -3.983 2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.879 -4.367 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.293 -4.470 0.083 1.00 0.00 H new ATOM 1038 N MET A 64 -7.528 -1.055 1.862 1.00 0.00 N ATOM 1039 CA MET A 64 -6.064 -0.798 1.874 1.00 0.00 C ATOM 1040 C MET A 64 -5.696 0.072 3.075 1.00 0.00 C ATOM 1041 O MET A 64 -4.661 -0.108 3.684 1.00 0.00 O ATOM 1042 CB MET A 64 -5.656 -0.095 0.579 1.00 0.00 C ATOM 1043 CG MET A 64 -5.751 -1.077 -0.590 1.00 0.00 C ATOM 1044 SD MET A 64 -4.793 -0.441 -1.987 1.00 0.00 S ATOM 1045 CE MET A 64 -3.146 -0.819 -1.327 1.00 0.00 C ATOM 0 H MET A 64 -8.031 -0.674 1.061 1.00 0.00 H new ATOM 0 HA MET A 64 -5.535 -1.748 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.304 0.763 0.400 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.638 0.286 0.665 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.373 -2.054 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.793 -1.214 -0.881 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.461 -1.019 -2.151 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.782 0.031 -0.750 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.205 -1.697 -0.683 1.00 0.00 H new ATOM 1055 N SER A 65 -6.529 1.011 3.427 1.00 0.00 N ATOM 1056 CA SER A 65 -6.206 1.880 4.592 1.00 0.00 C ATOM 1057 C SER A 65 -5.964 1.003 5.821 1.00 0.00 C ATOM 1058 O SER A 65 -5.088 1.265 6.624 1.00 0.00 O ATOM 1059 CB SER A 65 -7.375 2.827 4.863 1.00 0.00 C ATOM 1060 OG SER A 65 -7.671 3.558 3.680 1.00 0.00 O ATOM 0 H SER A 65 -7.414 1.213 2.962 1.00 0.00 H new ATOM 0 HA SER A 65 -5.311 2.464 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.250 2.261 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.124 3.511 5.674 1.00 0.00 H new ATOM 0 HG SER A 65 -8.150 2.980 3.050 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.728 -0.043 5.971 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.535 -0.939 7.143 1.00 0.00 C ATOM 1068 C GLU A 66 -5.154 -1.590 7.060 1.00 0.00 C ATOM 1069 O GLU A 66 -4.475 -1.757 8.054 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.615 -2.022 7.136 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.987 -1.375 7.335 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.063 -2.461 7.391 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.740 -3.602 7.102 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.190 -2.135 7.722 1.00 0.00 O ATOM 0 H GLU A 66 -7.476 -0.315 5.333 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.608 -0.361 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.592 -2.568 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.424 -2.746 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.995 -0.793 8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.196 -0.683 6.519 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.728 -1.956 5.880 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.388 -2.592 5.740 1.00 0.00 C ATOM 1083 C TYR A 67 -2.300 -1.590 6.125 1.00 0.00 C ATOM 1084 O TYR A 67 -1.355 -1.919 6.811 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.172 -3.035 4.294 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.846 -3.749 4.191 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.766 -5.124 4.445 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.693 -3.032 3.851 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.532 -5.781 4.359 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.539 -3.689 3.762 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.620 -5.063 4.016 1.00 0.00 C ATOM 1092 OH TYR A 67 1.835 -5.711 3.931 1.00 0.00 O ATOM 0 H TYR A 67 -5.249 -1.842 5.011 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.337 -3.460 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.980 -3.695 3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.187 -2.171 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.656 -5.678 4.707 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.754 -1.971 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.469 -6.841 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.428 -3.136 3.497 1.00 0.00 H new ATOM 0 HH TYR A 67 1.835 -6.486 4.531 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.419 -0.370 5.684 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.383 0.639 6.025 1.00 0.00 C ATOM 1104 C LEU A 68 -1.169 0.660 7.539 1.00 0.00 C ATOM 1105 O LEU A 68 -0.066 0.842 8.012 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.846 2.010 5.542 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.069 1.957 4.031 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.557 3.314 3.534 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.752 1.606 3.335 1.00 0.00 C ATOM 0 H LEU A 68 -3.186 -0.030 5.104 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.441 0.384 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.768 2.296 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.100 2.767 5.786 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.818 1.199 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.715 3.272 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.495 3.567 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.810 4.075 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.909 1.568 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.005 2.365 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.403 0.635 3.685 1.00 0.00 H new ATOM 1121 N THR A 69 -2.205 0.460 8.304 1.00 0.00 N ATOM 1122 CA THR A 69 -2.036 0.456 9.779 1.00 0.00 C ATOM 1123 C THR A 69 -0.948 -0.556 10.143 1.00 0.00 C ATOM 1124 O THR A 69 -0.090 -0.299 10.963 1.00 0.00 O ATOM 1125 CB THR A 69 -3.358 0.052 10.432 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.403 0.870 9.927 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.252 0.233 11.941 1.00 0.00 C ATOM 0 H THR A 69 -3.156 0.300 7.972 1.00 0.00 H new ATOM 0 HA THR A 69 -1.749 1.447 10.132 1.00 0.00 H new ATOM 0 HB THR A 69 -3.574 -0.992 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.251 0.611 10.343 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.194 -0.054 12.409 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.449 -0.394 12.327 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.038 1.277 12.168 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.970 -1.698 9.514 1.00 0.00 N ATOM 1136 CA ASN A 70 0.067 -2.735 9.788 1.00 0.00 C ATOM 1137 C ASN A 70 0.343 -3.491 8.490 1.00 0.00 C ATOM 1138 O ASN A 70 -0.563 -3.832 7.759 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.434 -3.712 10.851 1.00 0.00 C ATOM 1140 CG ASN A 70 0.760 -4.437 11.478 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.616 -3.817 12.079 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.855 -5.733 11.361 1.00 0.00 N ATOM 0 H ASN A 70 -1.667 -1.960 8.817 1.00 0.00 H new ATOM 0 HA ASN A 70 0.978 -2.260 10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.992 -3.176 11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.118 -4.434 10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.647 -6.226 11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.137 -6.254 10.857 1.00 0.00 H new ATOM 1149 N HIS A 71 1.581 -3.751 8.188 1.00 0.00 N ATOM 1150 CA HIS A 71 1.894 -4.471 6.923 1.00 0.00 C ATOM 1151 C HIS A 71 1.255 -5.868 6.916 1.00 0.00 C ATOM 1152 O HIS A 71 1.649 -6.726 6.151 1.00 0.00 O ATOM 1153 CB HIS A 71 3.410 -4.602 6.766 1.00 0.00 C ATOM 1154 CG HIS A 71 3.882 -3.703 5.654 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.178 -2.361 5.859 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.109 -3.939 4.318 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.562 -1.845 4.674 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.536 -2.764 3.712 1.00 0.00 N ATOM 0 H HIS A 71 2.388 -3.498 8.758 1.00 0.00 H new ATOM 0 HA HIS A 71 1.485 -3.898 6.091 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.907 -4.335 7.699 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.675 -5.637 6.548 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.116 -1.858 6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.976 -4.888 3.819 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.854 -0.816 4.525 1.00 0.00 H new ATOM 1166 N ALA A 72 0.276 -6.113 7.750 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.363 -7.461 7.762 1.00 0.00 C ATOM 1168 C ALA A 72 -1.563 -7.468 8.714 1.00 0.00 C ATOM 1169 O ALA A 72 -1.868 -8.468 9.333 1.00 0.00 O ATOM 1170 CB ALA A 72 0.657 -8.493 8.236 1.00 0.00 C ATOM 0 H ALA A 72 -0.105 -5.443 8.418 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.704 -7.704 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.197 -9.481 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.511 -8.498 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.993 -8.238 9.241 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.241 -6.363 8.844 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.415 -6.312 9.766 1.00 0.00 C ATOM 1178 C LYS A 73 -4.469 -7.339 9.338 1.00 0.00 C ATOM 1179 O LYS A 73 -5.068 -8.003 10.162 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.039 -4.914 9.730 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.119 -4.813 10.811 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.771 -3.431 10.755 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.727 -3.269 11.939 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.150 -2.302 12.914 1.00 0.00 N ATOM 0 H LYS A 73 -2.036 -5.493 8.354 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.076 -6.541 10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.272 -4.157 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.472 -4.722 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.871 -5.588 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.680 -4.980 11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.006 -2.655 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.313 -3.311 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.698 -2.915 11.591 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.893 -4.233 12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.799 -2.191 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.234 -2.657 13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.014 -1.381 12.450 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.709 -7.467 8.059 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.735 -8.443 7.582 1.00 0.00 C ATOM 1200 C TYR A 74 -5.061 -9.623 6.879 1.00 0.00 C ATOM 1201 O TYR A 74 -5.716 -10.419 6.236 1.00 0.00 O ATOM 1202 CB TYR A 74 -6.678 -7.747 6.599 1.00 0.00 C ATOM 1203 CG TYR A 74 -7.806 -7.089 7.355 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.597 -5.870 8.011 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -9.065 -7.700 7.397 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.647 -5.262 8.710 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -10.115 -7.092 8.096 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.906 -5.874 8.752 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.941 -5.275 9.441 1.00 0.00 O ATOM 0 H TYR A 74 -4.239 -6.938 7.324 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.295 -8.813 8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.131 -7.002 6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.077 -8.471 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.626 -5.399 7.978 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.226 -8.640 6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.486 -4.322 9.216 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.086 -7.563 8.129 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.746 -5.830 9.369 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.767 -9.742 6.989 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.067 -10.876 6.317 1.00 0.00 C ATOM 1221 C ILE A 75 -2.139 -11.576 7.310 1.00 0.00 C ATOM 1222 O ILE A 75 -0.939 -11.407 7.276 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.239 -10.351 5.143 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.931 -9.144 4.508 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.093 -11.453 4.092 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -2.061 -8.625 3.366 1.00 0.00 C ATOM 0 H ILE A 75 -3.165 -9.107 7.513 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.812 -11.583 5.953 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.257 -10.051 5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.915 -9.426 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.084 -8.362 5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.503 -11.081 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.592 -12.314 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.080 -11.750 3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.543 -7.764 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.087 -8.330 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.931 -9.411 2.622 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.683 -12.368 8.186 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.869 -13.104 9.188 1.00 0.00 C ATOM 1240 C PRO A 76 -0.823 -13.992 8.515 1.00 0.00 C ATOM 1241 O PRO A 76 -1.121 -14.742 7.606 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.886 -13.952 9.959 1.00 0.00 C ATOM 1243 CG PRO A 76 -4.223 -13.344 9.679 1.00 0.00 C ATOM 1244 CD PRO A 76 -4.117 -12.647 8.322 1.00 0.00 C ATOM 0 HA PRO A 76 -1.311 -12.427 9.835 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.854 -14.992 9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.670 -13.945 11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.999 -14.109 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.495 -12.632 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.479 -13.284 7.515 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.708 -11.731 8.295 1.00 0.00 H new ATOM 1252 N GLY A 77 0.401 -13.905 8.949 1.00 0.00 N ATOM 1253 CA GLY A 77 1.469 -14.733 8.330 1.00 0.00 C ATOM 1254 C GLY A 77 2.155 -13.928 7.226 1.00 0.00 C ATOM 1255 O GLY A 77 3.103 -14.379 6.615 1.00 0.00 O ATOM 0 H GLY A 77 0.708 -13.295 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.197 -15.032 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.043 -15.648 7.918 1.00 0.00 H new ATOM 1259 N THR A 78 1.686 -12.735 6.961 1.00 0.00 N ATOM 1260 CA THR A 78 2.320 -11.913 5.897 1.00 0.00 C ATOM 1261 C THR A 78 3.632 -11.319 6.414 1.00 0.00 C ATOM 1262 O THR A 78 3.795 -11.084 7.595 1.00 0.00 O ATOM 1263 CB THR A 78 1.374 -10.787 5.484 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.419 -11.292 4.562 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.174 -9.663 4.832 1.00 0.00 C ATOM 0 H THR A 78 0.895 -12.300 7.435 1.00 0.00 H new ATOM 0 HA THR A 78 2.528 -12.544 5.033 1.00 0.00 H new ATOM 0 HB THR A 78 0.860 -10.399 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.638 -10.979 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.499 -8.860 4.537 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.907 -9.279 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.688 -10.046 3.951 1.00 0.00 H new ATOM 1273 N LYS A 79 4.573 -11.079 5.539 1.00 0.00 N ATOM 1274 CA LYS A 79 5.875 -10.505 5.981 1.00 0.00 C ATOM 1275 C LYS A 79 5.684 -9.031 6.349 1.00 0.00 C ATOM 1276 O LYS A 79 4.920 -8.322 5.725 1.00 0.00 O ATOM 1277 CB LYS A 79 6.895 -10.613 4.843 1.00 0.00 C ATOM 1278 CG LYS A 79 7.061 -12.079 4.437 1.00 0.00 C ATOM 1279 CD LYS A 79 8.284 -12.226 3.526 1.00 0.00 C ATOM 1280 CE LYS A 79 8.071 -11.429 2.236 1.00 0.00 C ATOM 1281 NZ LYS A 79 8.578 -10.040 2.422 1.00 0.00 N ATOM 0 H LYS A 79 4.495 -11.256 4.538 1.00 0.00 H new ATOM 0 HA LYS A 79 6.237 -11.056 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.564 -10.024 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.854 -10.203 5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.179 -12.701 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.167 -12.427 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.177 -11.870 4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.449 -13.277 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.592 -11.910 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.012 -11.410 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.655 -9.572 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.919 -9.508 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.514 -10.070 2.874 1.00 0.00 H new ATOM 1295 N MET A 80 6.373 -8.568 7.358 1.00 0.00 N ATOM 1296 CA MET A 80 6.237 -7.141 7.771 1.00 0.00 C ATOM 1297 C MET A 80 7.622 -6.497 7.841 1.00 0.00 C ATOM 1298 O MET A 80 8.624 -7.173 7.967 1.00 0.00 O ATOM 1299 CB MET A 80 5.571 -7.070 9.148 1.00 0.00 C ATOM 1300 CG MET A 80 4.147 -7.621 9.056 1.00 0.00 C ATOM 1301 SD MET A 80 3.298 -7.364 10.634 1.00 0.00 S ATOM 1302 CE MET A 80 4.433 -8.326 11.664 1.00 0.00 C ATOM 0 H MET A 80 7.026 -9.119 7.915 1.00 0.00 H new ATOM 0 HA MET A 80 5.625 -6.608 7.043 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.148 -7.644 9.873 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.551 -6.039 9.501 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.604 -7.123 8.253 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.172 -8.683 8.813 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.904 -8.694 12.543 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.817 -9.170 11.091 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.263 -7.694 11.979 1.00 0.00 H new ATOM 1312 N ALA A 81 7.692 -5.195 7.756 1.00 0.00 N ATOM 1313 CA ALA A 81 9.019 -4.521 7.817 1.00 0.00 C ATOM 1314 C ALA A 81 8.836 -3.017 8.049 1.00 0.00 C ATOM 1315 O ALA A 81 9.492 -2.428 8.884 1.00 0.00 O ATOM 1316 CB ALA A 81 9.763 -4.745 6.499 1.00 0.00 C ATOM 0 H ALA A 81 6.891 -4.573 7.648 1.00 0.00 H new ATOM 0 HA ALA A 81 9.595 -4.941 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.734 -4.253 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.905 -5.814 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.181 -4.328 5.677 1.00 0.00 H new ATOM 1322 N PHE A 82 7.960 -2.386 7.312 1.00 0.00 N ATOM 1323 CA PHE A 82 7.760 -0.920 7.497 1.00 0.00 C ATOM 1324 C PHE A 82 7.356 -0.628 8.944 1.00 0.00 C ATOM 1325 O PHE A 82 7.830 0.311 9.551 1.00 0.00 O ATOM 1326 CB PHE A 82 6.657 -0.418 6.563 1.00 0.00 C ATOM 1327 CG PHE A 82 6.604 1.084 6.640 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.481 1.851 5.867 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.685 1.712 7.488 1.00 0.00 C ATOM 1330 CE1 PHE A 82 7.442 3.245 5.940 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.644 3.107 7.560 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.523 3.874 6.786 1.00 0.00 C ATOM 0 H PHE A 82 7.378 -2.819 6.595 1.00 0.00 H new ATOM 0 HA PHE A 82 8.695 -0.410 7.265 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.855 -0.737 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.696 -0.845 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.189 1.365 5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.008 1.119 8.086 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.121 3.837 5.344 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.934 3.593 8.213 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.491 4.952 6.842 1.00 0.00 H new ATOM 1342 N GLY A 83 6.477 -1.421 9.495 1.00 0.00 N ATOM 1343 CA GLY A 83 6.033 -1.187 10.900 1.00 0.00 C ATOM 1344 C GLY A 83 4.585 -0.687 10.898 1.00 0.00 C ATOM 1345 O GLY A 83 3.684 -1.370 11.342 1.00 0.00 O ATOM 0 H GLY A 83 6.047 -2.222 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.110 -2.109 11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.682 -0.455 11.381 1.00 0.00 H new ATOM 1349 N GLY A 84 4.352 0.497 10.396 1.00 0.00 N ATOM 1350 CA GLY A 84 2.958 1.028 10.364 1.00 0.00 C ATOM 1351 C GLY A 84 2.978 2.556 10.435 1.00 0.00 C ATOM 1352 O GLY A 84 3.875 3.152 10.998 1.00 0.00 O ATOM 0 H GLY A 84 5.063 1.117 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.458 0.705 9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.387 0.624 11.200 1.00 0.00 H new ATOM 1356 N LEU A 85 1.990 3.195 9.867 1.00 0.00 N ATOM 1357 CA LEU A 85 1.937 4.680 9.895 1.00 0.00 C ATOM 1358 C LEU A 85 0.992 5.131 11.010 1.00 0.00 C ATOM 1359 O LEU A 85 -0.181 5.362 10.794 1.00 0.00 O ATOM 1360 CB LEU A 85 1.427 5.169 8.540 1.00 0.00 C ATOM 1361 CG LEU A 85 2.375 4.684 7.437 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.640 4.656 6.100 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.571 5.635 7.321 1.00 0.00 C ATOM 0 H LEU A 85 1.213 2.746 9.382 1.00 0.00 H new ATOM 0 HA LEU A 85 2.927 5.095 10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.420 4.794 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.368 6.257 8.532 1.00 0.00 H new ATOM 0 HG LEU A 85 2.723 3.683 7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.318 4.311 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.789 3.979 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.288 5.659 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.240 5.284 6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.217 6.636 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.108 5.662 8.269 1.00 0.00 H new ATOM 1375 N LYS A 86 1.501 5.255 12.207 1.00 0.00 N ATOM 1376 CA LYS A 86 0.650 5.687 13.347 1.00 0.00 C ATOM 1377 C LYS A 86 0.091 7.082 13.072 1.00 0.00 C ATOM 1378 O LYS A 86 -1.016 7.404 13.455 1.00 0.00 O ATOM 1379 CB LYS A 86 1.493 5.715 14.621 1.00 0.00 C ATOM 1380 CG LYS A 86 1.946 4.295 14.966 1.00 0.00 C ATOM 1381 CD LYS A 86 2.687 4.306 16.305 1.00 0.00 C ATOM 1382 CE LYS A 86 3.235 2.908 16.596 1.00 0.00 C ATOM 1383 NZ LYS A 86 3.256 2.679 18.069 1.00 0.00 N ATOM 0 H LYS A 86 2.477 5.074 12.442 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.177 4.988 13.470 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.360 6.361 14.482 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.913 6.133 15.444 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.084 3.630 15.021 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.597 3.909 14.181 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.502 5.029 16.276 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.013 4.618 17.103 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.616 2.155 16.109 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.240 2.808 16.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.629 1.728 18.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.864 3.391 18.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.290 2.758 18.446 1.00 0.00 H new ATOM 1397 N LYS A 87 0.849 7.915 12.417 1.00 0.00 N ATOM 1398 CA LYS A 87 0.356 9.290 12.127 1.00 0.00 C ATOM 1399 C LYS A 87 -0.779 9.212 11.108 1.00 0.00 C ATOM 1400 O LYS A 87 -0.622 8.686 10.023 1.00 0.00 O ATOM 1401 CB LYS A 87 1.503 10.130 11.554 1.00 0.00 C ATOM 1402 CG LYS A 87 1.065 11.594 11.427 1.00 0.00 C ATOM 1403 CD LYS A 87 1.187 12.295 12.784 1.00 0.00 C ATOM 1404 CE LYS A 87 0.971 13.798 12.600 1.00 0.00 C ATOM 1405 NZ LYS A 87 1.954 14.322 11.611 1.00 0.00 N ATOM 0 H LYS A 87 1.785 7.705 12.071 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.008 9.752 13.044 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.377 10.058 12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.796 9.743 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.682 12.104 10.688 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.035 11.645 11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.451 11.893 13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.170 12.108 13.215 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.045 13.991 12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.088 14.313 13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.035 15.354 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.882 13.883 11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.632 14.096 10.648 1.00 0.00 H new ATOM 1419 N GLU A 88 -1.926 9.732 11.447 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.074 9.689 10.501 1.00 0.00 C ATOM 1421 C GLU A 88 -2.750 10.524 9.263 1.00 0.00 C ATOM 1422 O GLU A 88 -3.182 10.222 8.167 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.318 10.254 11.184 1.00 0.00 C ATOM 1424 CG GLU A 88 -4.712 9.352 12.356 1.00 0.00 C ATOM 1425 CD GLU A 88 -5.995 9.883 12.998 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -6.408 10.973 12.637 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -6.543 9.190 13.840 1.00 0.00 O ATOM 0 H GLU A 88 -2.117 10.186 12.340 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.259 8.657 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.123 11.266 11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.139 10.320 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.863 8.330 12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.909 9.323 13.093 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.003 11.580 9.428 1.00 0.00 N ATOM 1435 CA LYS A 89 -1.663 12.441 8.265 1.00 0.00 C ATOM 1436 C LYS A 89 -0.917 11.627 7.207 1.00 0.00 C ATOM 1437 O LYS A 89 -1.194 11.727 6.028 1.00 0.00 O ATOM 1438 CB LYS A 89 -0.778 13.593 8.736 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.575 14.500 9.677 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.730 15.722 10.043 1.00 0.00 C ATOM 1441 CE LYS A 89 -1.474 16.565 11.081 1.00 0.00 C ATOM 1442 NZ LYS A 89 -0.563 16.868 12.221 1.00 0.00 N ATOM 0 H LYS A 89 -1.613 11.883 10.321 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.582 12.832 7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.102 13.203 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.421 14.165 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.502 14.815 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.853 13.953 10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.234 15.405 10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.528 16.317 9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.827 17.491 10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.354 16.029 11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.924 17.690 12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.516 16.046 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.388 17.080 11.858 1.00 0.00 H new ATOM 1456 N ASP A 90 0.024 10.823 7.612 1.00 0.00 N ATOM 1457 CA ASP A 90 0.775 10.014 6.617 1.00 0.00 C ATOM 1458 C ASP A 90 -0.160 8.971 6.005 1.00 0.00 C ATOM 1459 O ASP A 90 -0.345 8.916 4.807 1.00 0.00 O ATOM 1460 CB ASP A 90 1.937 9.302 7.308 1.00 0.00 C ATOM 1461 CG ASP A 90 2.891 10.340 7.902 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.821 11.486 7.488 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.677 9.972 8.759 1.00 0.00 O ATOM 0 H ASP A 90 0.304 10.692 8.584 1.00 0.00 H new ATOM 0 HA ASP A 90 1.161 10.668 5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.560 8.647 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.467 8.672 6.594 1.00 0.00 H new ATOM 1468 N ARG A 91 -0.750 8.143 6.823 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.670 7.100 6.287 1.00 0.00 C ATOM 1470 C ARG A 91 -2.779 7.752 5.456 1.00 0.00 C ATOM 1471 O ARG A 91 -3.140 7.266 4.402 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.296 6.333 7.454 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.145 5.182 6.911 1.00 0.00 C ATOM 1474 CD ARG A 91 -3.733 4.388 8.079 1.00 0.00 C ATOM 1475 NE ARG A 91 -4.748 5.221 8.783 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.334 4.766 9.857 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -5.034 3.581 10.312 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.222 5.497 10.473 1.00 0.00 N ATOM 0 H ARG A 91 -0.635 8.143 7.837 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.105 6.417 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.516 5.946 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.913 7.002 8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.946 5.572 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.536 4.531 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.191 3.469 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.942 4.098 8.770 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.985 6.147 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.341 3.009 9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.492 3.226 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.458 6.423 10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.681 5.143 11.312 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.330 8.842 5.917 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.417 9.508 5.145 1.00 0.00 C ATOM 1494 C ASN A 92 -3.848 10.153 3.880 1.00 0.00 C ATOM 1495 O ASN A 92 -4.318 9.916 2.785 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.069 10.583 6.013 1.00 0.00 C ATOM 1497 CG ASN A 92 -5.815 9.924 7.174 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -5.948 8.717 7.220 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.323 10.672 8.116 1.00 0.00 N ATOM 0 H ASN A 92 -3.075 9.299 6.793 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.159 8.762 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.310 11.265 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.759 11.178 5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.831 10.243 8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.212 11.685 8.078 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.842 10.966 4.023 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.241 11.629 2.830 1.00 0.00 C ATOM 1508 C ASP A 93 -1.654 10.565 1.901 1.00 0.00 C ATOM 1509 O ASP A 93 -1.691 10.686 0.693 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.135 12.586 3.282 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.748 13.722 4.102 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.959 13.868 4.065 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.996 14.428 4.755 1.00 0.00 O ATOM 0 H ASP A 93 -2.407 11.202 4.915 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.008 12.191 2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.397 12.050 3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.612 12.990 2.415 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.111 9.524 2.464 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.513 8.439 1.635 1.00 0.00 C ATOM 1520 C LEU A 94 -1.516 7.969 0.587 1.00 0.00 C ATOM 1521 O LEU A 94 -1.266 8.018 -0.601 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.163 7.270 2.556 1.00 0.00 C ATOM 1523 CG LEU A 94 0.303 6.070 1.735 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.464 6.480 0.829 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.769 4.971 2.688 1.00 0.00 C ATOM 0 H LEU A 94 -1.055 9.376 3.472 1.00 0.00 H new ATOM 0 HA LEU A 94 0.378 8.810 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.620 7.569 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.033 6.995 3.153 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.520 5.707 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.792 5.619 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.137 7.272 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.292 6.841 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.104 4.108 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.593 5.343 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.057 4.676 3.335 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.644 7.504 1.026 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.674 7.012 0.079 1.00 0.00 C ATOM 1539 C ILE A 95 -4.196 8.156 -0.786 1.00 0.00 C ATOM 1540 O ILE A 95 -4.554 7.963 -1.932 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.817 6.398 0.871 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.288 5.181 1.629 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.921 5.977 -0.092 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.382 4.620 2.541 1.00 0.00 C ATOM 0 H ILE A 95 -2.900 7.443 2.011 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.232 6.262 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.221 7.120 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.962 4.416 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.417 5.461 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.745 5.536 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.280 6.850 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.529 5.244 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.998 3.753 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.687 5.384 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.241 4.323 1.939 1.00 0.00 H new ATOM 1556 N THR A 96 -4.248 9.343 -0.258 1.00 0.00 N ATOM 1557 CA THR A 96 -4.752 10.480 -1.061 1.00 0.00 C ATOM 1558 C THR A 96 -3.988 10.531 -2.385 1.00 0.00 C ATOM 1559 O THR A 96 -4.558 10.759 -3.434 1.00 0.00 O ATOM 1560 CB THR A 96 -4.530 11.776 -0.284 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.019 11.620 1.040 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.279 12.912 -0.971 1.00 0.00 C ATOM 0 H THR A 96 -3.963 9.573 0.694 1.00 0.00 H new ATOM 0 HA THR A 96 -5.816 10.357 -1.261 1.00 0.00 H new ATOM 0 HB THR A 96 -3.465 12.007 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.453 10.984 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.122 13.838 -0.418 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.907 13.030 -1.989 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.344 12.682 -0.998 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.704 10.305 -2.346 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.906 10.326 -3.601 1.00 0.00 C ATOM 1572 C TYR A 97 -2.144 9.039 -4.392 1.00 0.00 C ATOM 1573 O TYR A 97 -2.363 9.064 -5.587 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.422 10.451 -3.255 1.00 0.00 C ATOM 1575 CG TYR A 97 0.399 10.279 -4.508 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.520 11.331 -5.422 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.033 9.060 -4.756 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.281 11.161 -6.586 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.792 8.887 -5.916 1.00 0.00 C ATOM 1580 CZ TYR A 97 1.917 9.938 -6.833 1.00 0.00 C ATOM 1581 OH TYR A 97 2.667 9.768 -7.979 1.00 0.00 O ATOM 0 H TYR A 97 -2.174 10.107 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.212 11.177 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.222 11.424 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.144 9.697 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.027 12.273 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.936 8.249 -4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.377 11.972 -7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.282 7.943 -6.105 1.00 0.00 H new ATOM 0 HH TYR A 97 3.040 8.862 -7.994 1.00 0.00 H new ATOM 1591 N LEU A 98 -2.100 7.912 -3.735 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.319 6.623 -4.452 1.00 0.00 C ATOM 1593 C LEU A 98 -3.670 6.659 -5.162 1.00 0.00 C ATOM 1594 O LEU A 98 -3.775 6.366 -6.336 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.310 5.477 -3.439 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.976 5.471 -2.690 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.013 4.411 -1.588 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.150 5.139 -3.665 1.00 0.00 C ATOM 0 H LEU A 98 -1.922 7.828 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.527 6.473 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.134 5.593 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.458 4.525 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.805 6.453 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.062 4.407 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.819 4.639 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.184 3.430 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.102 5.134 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.026 4.157 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.180 5.889 -4.456 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.700 7.027 -4.459 1.00 0.00 N ATOM 1611 CA LYS A 99 -6.045 7.099 -5.091 1.00 0.00 C ATOM 1612 C LYS A 99 -6.028 8.150 -6.202 1.00 0.00 C ATOM 1613 O LYS A 99 -6.633 7.980 -7.241 1.00 0.00 O ATOM 1614 CB LYS A 99 -7.085 7.460 -4.031 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.461 7.620 -4.683 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.489 8.008 -3.618 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.878 8.099 -4.256 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.215 9.528 -4.508 1.00 0.00 N ATOM 0 H LYS A 99 -4.670 7.282 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.304 6.133 -5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.123 6.683 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.800 8.386 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.420 8.384 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.756 6.689 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.493 7.270 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.220 8.964 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.898 7.539 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.622 7.649 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.158 9.591 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.212 10.049 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.510 9.943 -5.151 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.337 9.235 -5.990 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.277 10.298 -7.034 1.00 0.00 C ATOM 1634 C LYS A 100 -4.711 9.702 -8.318 1.00 0.00 C ATOM 1635 O LYS A 100 -5.205 9.938 -9.403 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.353 11.417 -6.558 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.476 12.620 -7.496 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.501 13.714 -7.054 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.704 14.963 -7.914 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.664 15.006 -8.981 1.00 0.00 N ATOM 0 H LYS A 100 -4.811 9.433 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.276 10.694 -7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.613 11.709 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.322 11.065 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.261 12.319 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.497 13.001 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.661 13.954 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.475 13.359 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.698 14.952 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.642 15.858 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.802 15.855 -9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.720 15.035 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.744 14.158 -9.578 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.679 8.921 -8.194 1.00 0.00 N ATOM 1655 CA ALA A 101 -3.068 8.288 -9.395 1.00 0.00 C ATOM 1656 C ALA A 101 -4.033 7.235 -9.929 1.00 0.00 C ATOM 1657 O ALA A 101 -4.345 7.196 -11.102 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.744 7.623 -9.010 1.00 0.00 C ATOM 0 H ALA A 101 -3.228 8.691 -7.308 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.876 9.042 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.299 7.161 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.062 8.374 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.927 6.860 -8.253 1.00 0.00 H new ATOM 1664 N THR A 102 -4.529 6.395 -9.063 1.00 0.00 N ATOM 1665 CA THR A 102 -5.496 5.359 -9.504 1.00 0.00 C ATOM 1666 C THR A 102 -6.728 6.063 -10.066 1.00 0.00 C ATOM 1667 O THR A 102 -7.392 5.568 -10.955 1.00 0.00 O ATOM 1668 CB THR A 102 -5.898 4.489 -8.310 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.730 3.956 -7.701 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.792 3.345 -8.790 1.00 0.00 C ATOM 0 H THR A 102 -4.304 6.384 -8.068 1.00 0.00 H new ATOM 0 HA THR A 102 -5.046 4.723 -10.266 1.00 0.00 H new ATOM 0 HB THR A 102 -6.443 5.094 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.304 4.646 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.078 2.726 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.687 3.755 -9.258 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.249 2.738 -9.515 1.00 0.00 H new ATOM 1678 N GLU A 103 -7.036 7.222 -9.547 1.00 0.00 N ATOM 1679 CA GLU A 103 -8.226 7.969 -10.046 1.00 0.00 C ATOM 1680 C GLU A 103 -8.022 8.327 -11.519 1.00 0.00 C ATOM 1681 O GLU A 103 -7.760 7.474 -12.344 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.406 9.250 -9.230 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.697 9.951 -9.656 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.825 11.283 -8.913 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.926 11.602 -8.153 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.820 11.959 -9.117 1.00 0.00 O ATOM 0 H GLU A 103 -6.516 7.683 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.114 7.346 -9.942 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.442 9.014 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.554 9.912 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.692 10.122 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.556 9.317 -9.438 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.874 -2.634 1.639 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.932 -5.363 1.146 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.164 -0.637 1.314 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.821 0.097 2.132 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.604 -4.619 1.871 1.00 0.00 C HETATM 1699 NA HEC A 104 2.964 -2.934 1.310 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.306 -4.136 1.127 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.876 -3.933 0.945 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.683 -2.596 0.955 1.00 0.00 C HETATM 1703 C4A HEC A 104 1.965 -1.990 1.215 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.588 -1.882 0.641 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.210 -4.964 0.997 1.00 0.00 C HETATM 1706 CBA HEC A 104 -1.164 -4.869 -0.197 1.00 0.00 C HETATM 1707 CGA HEC A 104 -1.145 -6.186 -0.975 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.560 -6.211 -2.045 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.717 -7.148 -0.487 1.00 0.00 O HETATM 1710 NB HEC A 104 4.561 -0.697 1.706 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.371 -0.027 1.535 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.538 1.397 1.668 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.853 1.620 1.859 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.479 0.314 1.927 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.455 2.404 1.817 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.520 2.962 1.851 1.00 0.00 C HETATM 1717 CBB HEC A 104 5.057 3.850 3.007 1.00 0.00 C HETATM 1718 NC HEC A 104 6.782 -2.329 1.958 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.429 -1.126 2.139 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.839 -1.305 2.331 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.083 -2.623 2.192 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.795 -3.262 2.014 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.805 -0.276 2.803 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.424 -3.231 2.007 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.225 -3.336 3.306 1.00 0.00 C HETATM 1726 ND HEC A 104 5.195 -4.560 1.549 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.395 -5.226 1.652 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.223 -6.652 1.534 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.914 -6.859 1.293 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.277 -5.565 1.342 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.235 -7.694 1.854 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.278 -8.152 0.916 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.688 -8.874 2.124 1.00 0.00 C HETATM 1734 CGD HEC A 104 2.741 -9.977 1.651 1.00 0.00 C HETATM 1735 O1D HEC A 104 3.113 -10.703 0.744 1.00 0.00 O HETATM 1736 O2D HEC A 104 1.659 -10.077 2.206 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.116 -7.550 1.229 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.518 -7.616 2.904 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.813 -8.681 1.664 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.806 0.567 2.112 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.513 0.069 3.795 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.804 -0.709 2.849 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.798 2.363 0.948 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.879 2.189 2.717 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.892 3.399 1.895 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.896 -2.118 -0.378 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.365 -2.198 1.337 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.434 -0.807 0.734 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.487 -9.302 2.730 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 3.151 -8.167 2.757 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.371 -2.340 3.725 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.681 -3.954 4.020 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.195 -3.789 3.100 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.981 4.009 2.935 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.290 3.364 3.955 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.570 4.811 2.956 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.175 -4.654 0.149 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.868 -4.046 -0.848 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.492 -7.969 0.184 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 5.017 -8.793 0.436 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.237 -5.958 1.023 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.776 -4.845 1.921 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.483 -5.260 1.937 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.450 0.971 2.303 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.290 0.006 1.208 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.310 -6.245 0.993 1.00 0.00 H new