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 5 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 SER OG : rot -7:sc= 0.696 USER MOD Set 2.2: A 52 ASN : amide:sc= -2.77 K(o=-2.1,f=-3.5!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= -0.295 USER MOD Set 3.2: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -33:sc= 0.586 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 161:sc= -0.281 (180deg=-0.959) USER MOD Single : A -5 THR OG1 : rot -71:sc= 1.1 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.407 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000634 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -7.42! C(o=-7.4!,f=-14!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -7.28! C(o=-12!,f=-7.3!) USER MOD Single : A 33 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.62) USER MOD Single : A 39 HIS : no HD1:sc= -0.071 X(o=-0.071,f=-0.24) USER MOD Single : A 42 GLN : amide:sc= -2.19 K(o=-2.2,f=-8.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.24 USER MOD Single : A 48 TYR OH : rot 99:sc= -3.43! USER MOD Single : A 49 THR OG1 : rot -103:sc= -0.496 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD Single : A 62 ASN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 63 ASN : amide:sc=-0.00221 K(o=-0.0022,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -91:sc= -0.183 (180deg=-0.892) USER MOD Single : A 65 SER OG : rot -70:sc= 0.727 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 69 THR OG1 : rot 89:sc= 0.059 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.787 F(o=-2.5!,f=-0.79) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -93:sc= -3.09! USER MOD Single : A 78 THR OG1 : rot 63:sc= -1.13 USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= -4.06 (180deg=-4.22) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0202 (180deg=-0.345) USER MOD Single : A 92 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.6!) USER MOD Single : A 96 THR OG1 : rot 86:sc= 1.14 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -112:sc= -2.76! (180deg=-4.93!) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= -1.13 (180deg=-1.21) USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.426 11.604 0.185 1.00 0.00 N ATOM 2 CA THR A -5 -15.351 11.536 1.215 1.00 0.00 C ATOM 3 C THR A -5 -15.344 10.146 1.854 1.00 0.00 C ATOM 4 O THR A -5 -15.617 9.989 3.027 1.00 0.00 O ATOM 5 CB THR A -5 -15.608 12.591 2.293 1.00 0.00 C ATOM 6 OG1 THR A -5 -14.953 12.209 3.494 1.00 0.00 O ATOM 7 CG2 THR A -5 -17.113 12.709 2.545 1.00 0.00 C ATOM 0 H1 THR A -5 -16.651 12.599 -0.017 1.00 0.00 H new ATOM 0 H2 THR A -5 -16.102 11.138 -0.686 1.00 0.00 H new ATOM 0 H3 THR A -5 -17.277 11.122 0.539 1.00 0.00 H new ATOM 0 HA THR A -5 -14.386 11.725 0.745 1.00 0.00 H new ATOM 0 HB THR A -5 -15.221 13.554 1.959 1.00 0.00 H new ATOM 0 HG1 THR A -5 -15.413 11.438 3.886 1.00 0.00 H new ATOM 0 HG21 THR A -5 -17.295 13.461 3.313 1.00 0.00 H new ATOM 0 HG22 THR A -5 -17.614 13.003 1.623 1.00 0.00 H new ATOM 0 HG23 THR A -5 -17.503 11.747 2.879 1.00 0.00 H new ATOM 17 N GLU A -4 -15.033 9.134 1.090 1.00 0.00 N ATOM 18 CA GLU A -4 -15.010 7.755 1.653 1.00 0.00 C ATOM 19 C GLU A -4 -13.957 7.674 2.761 1.00 0.00 C ATOM 20 O GLU A -4 -14.112 6.950 3.725 1.00 0.00 O ATOM 21 CB GLU A -4 -14.662 6.758 0.546 1.00 0.00 C ATOM 22 CG GLU A -4 -15.772 6.758 -0.508 1.00 0.00 C ATOM 23 CD GLU A -4 -15.459 5.713 -1.579 1.00 0.00 C ATOM 24 OE1 GLU A -4 -14.362 5.179 -1.556 1.00 0.00 O ATOM 25 OE2 GLU A -4 -16.321 5.464 -2.406 1.00 0.00 O ATOM 0 H GLU A -4 -14.794 9.203 0.101 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.990 7.514 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -13.710 7.025 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -14.544 5.759 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -16.732 6.539 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -15.857 7.745 -0.962 1.00 0.00 H new ATOM 32 N PHE A -3 -12.887 8.410 2.631 1.00 0.00 N ATOM 33 CA PHE A -3 -11.825 8.375 3.674 1.00 0.00 C ATOM 34 C PHE A -3 -11.357 9.802 3.977 1.00 0.00 C ATOM 35 O PHE A -3 -11.570 10.713 3.202 1.00 0.00 O ATOM 36 CB PHE A -3 -10.645 7.539 3.171 1.00 0.00 C ATOM 37 CG PHE A -3 -10.055 8.185 1.941 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.623 7.947 0.684 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.938 9.021 2.056 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.075 8.545 -0.457 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.389 9.618 0.915 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.958 9.381 -0.342 1.00 0.00 C ATOM 0 H PHE A -3 -12.703 9.035 1.846 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.223 7.927 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -9.887 7.456 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.976 6.527 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.484 7.302 0.594 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.500 9.205 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.514 8.361 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.526 10.262 1.004 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.536 9.843 -1.222 1.00 0.00 H new ATOM 52 N LYS A -2 -10.724 10.002 5.102 1.00 0.00 N ATOM 53 CA LYS A -2 -10.246 11.368 5.458 1.00 0.00 C ATOM 54 C LYS A -2 -9.008 11.710 4.626 1.00 0.00 C ATOM 55 O LYS A -2 -8.101 10.914 4.494 1.00 0.00 O ATOM 56 CB LYS A -2 -9.889 11.409 6.947 1.00 0.00 C ATOM 57 CG LYS A -2 -9.563 12.846 7.370 1.00 0.00 C ATOM 58 CD LYS A -2 -10.860 13.624 7.621 1.00 0.00 C ATOM 59 CE LYS A -2 -10.527 14.974 8.260 1.00 0.00 C ATOM 60 NZ LYS A -2 -10.435 14.814 9.739 1.00 0.00 N ATOM 0 H LYS A -2 -10.518 9.278 5.790 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.032 12.094 5.251 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -10.721 11.027 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.034 10.761 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -8.953 12.839 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -8.978 13.339 6.594 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.394 13.775 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -11.519 13.053 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -9.584 15.353 7.865 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.295 15.706 8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.209 15.731 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.345 14.471 10.108 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -9.687 14.128 9.968 1.00 0.00 H new ATOM 74 N ALA A -1 -8.967 12.890 4.064 1.00 0.00 N ATOM 75 CA ALA A -1 -7.793 13.288 3.238 1.00 0.00 C ATOM 76 C ALA A -1 -7.265 14.644 3.712 1.00 0.00 C ATOM 77 O ALA A -1 -7.734 15.199 4.685 1.00 0.00 O ATOM 78 CB ALA A -1 -8.214 13.390 1.773 1.00 0.00 C ATOM 0 H ALA A -1 -9.699 13.596 4.143 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.008 12.539 3.341 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.356 13.681 1.167 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.587 12.424 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -9.000 14.138 1.672 1.00 0.00 H new ATOM 84 N GLY A 1 -6.290 15.180 3.029 1.00 0.00 N ATOM 85 CA GLY A 1 -5.729 16.499 3.437 1.00 0.00 C ATOM 86 C GLY A 1 -4.972 17.120 2.260 1.00 0.00 C ATOM 87 O GLY A 1 -5.400 18.099 1.683 1.00 0.00 O ATOM 0 H GLY A 1 -5.858 14.761 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.531 17.163 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.059 16.374 4.288 1.00 0.00 H new ATOM 91 N SER A 2 -3.852 16.555 1.899 1.00 0.00 N ATOM 92 CA SER A 2 -3.071 17.104 0.762 1.00 0.00 C ATOM 93 C SER A 2 -2.378 15.956 0.028 1.00 0.00 C ATOM 94 O SER A 2 -1.468 15.336 0.542 1.00 0.00 O ATOM 95 CB SER A 2 -2.022 18.081 1.290 1.00 0.00 C ATOM 96 OG SER A 2 -2.472 19.413 1.081 1.00 0.00 O ATOM 0 H SER A 2 -3.445 15.734 2.347 1.00 0.00 H new ATOM 0 HA SER A 2 -3.738 17.627 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.848 17.906 2.352 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.072 17.922 0.781 1.00 0.00 H new ATOM 0 HG SER A 2 -1.801 20.042 1.421 1.00 0.00 H new ATOM 102 N ALA A 3 -2.799 15.669 -1.171 1.00 0.00 N ATOM 103 CA ALA A 3 -2.164 14.563 -1.939 1.00 0.00 C ATOM 104 C ALA A 3 -0.709 14.925 -2.234 1.00 0.00 C ATOM 105 O ALA A 3 0.120 14.069 -2.470 1.00 0.00 O ATOM 106 CB ALA A 3 -2.917 14.362 -3.255 1.00 0.00 C ATOM 0 H ALA A 3 -3.556 16.153 -1.653 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.200 13.643 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.454 13.553 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.956 14.109 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.878 15.281 -3.840 1.00 0.00 H new ATOM 112 N LYS A 4 -0.397 16.190 -2.230 1.00 0.00 N ATOM 113 CA LYS A 4 1.001 16.616 -2.518 1.00 0.00 C ATOM 114 C LYS A 4 1.957 15.929 -1.540 1.00 0.00 C ATOM 115 O LYS A 4 2.934 15.323 -1.933 1.00 0.00 O ATOM 116 CB LYS A 4 1.094 18.131 -2.335 1.00 0.00 C ATOM 117 CG LYS A 4 0.102 18.815 -3.277 1.00 0.00 C ATOM 118 CD LYS A 4 -0.255 20.199 -2.728 1.00 0.00 C ATOM 119 CE LYS A 4 -1.397 20.068 -1.714 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.847 21.426 -1.295 1.00 0.00 N ATOM 0 H LYS A 4 -1.051 16.949 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 4 1.272 16.342 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.875 18.398 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.108 18.473 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.535 18.908 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.798 18.209 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.617 20.650 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.552 20.860 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.228 19.518 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.063 19.500 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.622 21.338 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.052 21.936 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.181 21.953 -2.127 1.00 0.00 H new ATOM 134 N LYS A 5 1.677 16.012 -0.268 1.00 0.00 N ATOM 135 CA LYS A 5 2.561 15.358 0.733 1.00 0.00 C ATOM 136 C LYS A 5 2.505 13.841 0.550 1.00 0.00 C ATOM 137 O LYS A 5 3.500 13.153 0.658 1.00 0.00 O ATOM 138 CB LYS A 5 2.086 15.723 2.136 1.00 0.00 C ATOM 139 CG LYS A 5 2.249 17.229 2.356 1.00 0.00 C ATOM 140 CD LYS A 5 1.880 17.577 3.800 1.00 0.00 C ATOM 141 CE LYS A 5 1.932 19.094 3.991 1.00 0.00 C ATOM 142 NZ LYS A 5 0.954 19.496 5.041 1.00 0.00 N ATOM 0 H LYS A 5 0.873 16.505 0.120 1.00 0.00 H new ATOM 0 HA LYS A 5 3.587 15.699 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.042 15.437 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.660 15.172 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.277 17.528 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.612 17.779 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.882 17.205 4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.569 17.090 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.938 19.401 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.702 19.598 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.964 20.530 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.001 19.186 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.213 19.052 5.945 1.00 0.00 H new ATOM 156 N GLY A 6 1.341 13.319 0.279 1.00 0.00 N ATOM 157 CA GLY A 6 1.204 11.847 0.092 1.00 0.00 C ATOM 158 C GLY A 6 2.064 11.390 -1.086 1.00 0.00 C ATOM 159 O GLY A 6 2.629 10.314 -1.072 1.00 0.00 O ATOM 0 H GLY A 6 0.476 13.850 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.509 11.326 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.160 11.590 -0.087 1.00 0.00 H new ATOM 163 N ALA A 7 2.165 12.193 -2.108 1.00 0.00 N ATOM 164 CA ALA A 7 2.984 11.791 -3.284 1.00 0.00 C ATOM 165 C ALA A 7 4.438 11.608 -2.855 1.00 0.00 C ATOM 166 O ALA A 7 5.077 10.633 -3.195 1.00 0.00 O ATOM 167 CB ALA A 7 2.902 12.877 -4.359 1.00 0.00 C ATOM 0 H ALA A 7 1.718 13.107 -2.180 1.00 0.00 H new ATOM 0 HA ALA A 7 2.604 10.852 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.502 12.583 -5.220 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.864 13.007 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.281 13.816 -3.957 1.00 0.00 H new ATOM 173 N THR A 8 4.965 12.533 -2.107 1.00 0.00 N ATOM 174 CA THR A 8 6.373 12.405 -1.656 1.00 0.00 C ATOM 175 C THR A 8 6.461 11.369 -0.535 1.00 0.00 C ATOM 176 O THR A 8 7.471 10.717 -0.357 1.00 0.00 O ATOM 177 CB THR A 8 6.864 13.757 -1.144 1.00 0.00 C ATOM 178 OG1 THR A 8 6.171 14.090 0.051 1.00 0.00 O ATOM 179 CG2 THR A 8 6.606 14.831 -2.201 1.00 0.00 C ATOM 0 H THR A 8 4.480 13.372 -1.789 1.00 0.00 H new ATOM 0 HA THR A 8 6.995 12.084 -2.491 1.00 0.00 H new ATOM 0 HB THR A 8 7.933 13.701 -0.941 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.259 13.734 0.010 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.957 15.795 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.139 14.576 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.537 14.889 -2.408 1.00 0.00 H new ATOM 187 N LEU A 9 5.411 11.209 0.226 1.00 0.00 N ATOM 188 CA LEU A 9 5.445 10.215 1.332 1.00 0.00 C ATOM 189 C LEU A 9 5.792 8.843 0.761 1.00 0.00 C ATOM 190 O LEU A 9 6.630 8.131 1.282 1.00 0.00 O ATOM 191 CB LEU A 9 4.072 10.159 2.003 1.00 0.00 C ATOM 192 CG LEU A 9 4.147 9.267 3.243 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.085 9.903 4.271 1.00 0.00 C ATOM 194 CD2 LEU A 9 2.751 9.122 3.851 1.00 0.00 C ATOM 0 H LEU A 9 4.535 11.723 0.128 1.00 0.00 H new ATOM 0 HA LEU A 9 6.196 10.505 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.751 11.162 2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.330 9.769 1.306 1.00 0.00 H new ATOM 0 HG LEU A 9 4.526 8.284 2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.139 9.268 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.080 10.009 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.705 10.885 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.803 8.486 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.373 10.105 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.080 8.671 3.119 1.00 0.00 H new ATOM 206 N PHE A 10 5.167 8.471 -0.318 1.00 0.00 N ATOM 207 CA PHE A 10 5.472 7.153 -0.931 1.00 0.00 C ATOM 208 C PHE A 10 6.916 7.162 -1.430 1.00 0.00 C ATOM 209 O PHE A 10 7.654 6.214 -1.258 1.00 0.00 O ATOM 210 CB PHE A 10 4.524 6.894 -2.107 1.00 0.00 C ATOM 211 CG PHE A 10 4.746 5.495 -2.642 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.724 5.264 -3.617 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.970 4.429 -2.163 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.930 3.968 -4.112 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.176 3.134 -2.660 1.00 0.00 C ATOM 216 CZ PHE A 10 5.156 2.904 -3.635 1.00 0.00 C ATOM 0 H PHE A 10 4.458 9.023 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 10 5.340 6.365 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.489 7.011 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.697 7.627 -2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.320 6.084 -3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.214 4.606 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.687 3.791 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.579 2.313 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.314 1.907 -4.018 1.00 0.00 H new ATOM 226 N LYS A 11 7.314 8.232 -2.060 1.00 0.00 N ATOM 227 CA LYS A 11 8.698 8.323 -2.592 1.00 0.00 C ATOM 228 C LYS A 11 9.727 8.288 -1.458 1.00 0.00 C ATOM 229 O LYS A 11 10.820 7.783 -1.618 1.00 0.00 O ATOM 230 CB LYS A 11 8.853 9.635 -3.362 1.00 0.00 C ATOM 231 CG LYS A 11 7.905 9.644 -4.560 1.00 0.00 C ATOM 232 CD LYS A 11 8.165 10.892 -5.408 1.00 0.00 C ATOM 233 CE LYS A 11 7.138 10.966 -6.539 1.00 0.00 C ATOM 234 NZ LYS A 11 7.559 12.000 -7.525 1.00 0.00 N ATOM 0 H LYS A 11 6.733 9.053 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 11 8.873 7.470 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.636 10.480 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.883 9.750 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.052 8.746 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.870 9.633 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.102 11.786 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.174 10.860 -5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.050 9.996 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.155 11.211 -6.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.861 12.051 -8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.622 12.925 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.489 11.748 -7.917 1.00 0.00 H new ATOM 248 N THR A 12 9.407 8.855 -0.330 1.00 0.00 N ATOM 249 CA THR A 12 10.388 8.892 0.788 1.00 0.00 C ATOM 250 C THR A 12 10.233 7.687 1.724 1.00 0.00 C ATOM 251 O THR A 12 10.922 7.596 2.721 1.00 0.00 O ATOM 252 CB THR A 12 10.169 10.176 1.586 1.00 0.00 C ATOM 253 OG1 THR A 12 8.878 10.149 2.179 1.00 0.00 O ATOM 254 CG2 THR A 12 10.281 11.384 0.656 1.00 0.00 C ATOM 0 H THR A 12 8.508 9.295 -0.134 1.00 0.00 H new ATOM 0 HA THR A 12 11.392 8.859 0.365 1.00 0.00 H new ATOM 0 HB THR A 12 10.926 10.252 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.202 10.355 1.500 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.124 12.299 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.272 11.404 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.526 11.312 -0.127 1.00 0.00 H new ATOM 262 N ARG A 13 9.343 6.770 1.443 1.00 0.00 N ATOM 263 CA ARG A 13 9.187 5.605 2.368 1.00 0.00 C ATOM 264 C ARG A 13 9.019 4.289 1.599 1.00 0.00 C ATOM 265 O ARG A 13 9.837 3.397 1.700 1.00 0.00 O ATOM 266 CB ARG A 13 7.958 5.826 3.254 1.00 0.00 C ATOM 267 CG ARG A 13 8.197 7.032 4.166 1.00 0.00 C ATOM 268 CD ARG A 13 7.027 7.175 5.140 1.00 0.00 C ATOM 269 NE ARG A 13 7.170 8.444 5.907 1.00 0.00 N ATOM 270 CZ ARG A 13 6.599 8.570 7.074 1.00 0.00 C ATOM 271 NH1 ARG A 13 5.903 7.583 7.568 1.00 0.00 N ATOM 272 NH2 ARG A 13 6.724 9.681 7.746 1.00 0.00 N ATOM 0 H ARG A 13 8.728 6.774 0.629 1.00 0.00 H new ATOM 0 HA ARG A 13 10.091 5.532 2.973 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.076 5.993 2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.763 4.936 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.129 6.906 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.300 7.938 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.083 7.172 4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.003 6.326 5.823 1.00 0.00 H new ATOM 0 HE ARG A 13 7.714 9.215 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.806 6.714 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.456 7.680 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.268 10.452 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.277 9.778 8.658 1.00 0.00 H new ATOM 286 N CYS A 14 7.955 4.145 0.862 1.00 0.00 N ATOM 287 CA CYS A 14 7.724 2.867 0.125 1.00 0.00 C ATOM 288 C CYS A 14 8.773 2.665 -0.973 1.00 0.00 C ATOM 289 O CYS A 14 9.197 1.557 -1.236 1.00 0.00 O ATOM 290 CB CYS A 14 6.331 2.889 -0.498 1.00 0.00 C ATOM 291 SG CYS A 14 5.197 3.903 0.497 1.00 0.00 S ATOM 0 H CYS A 14 7.234 4.855 0.736 1.00 0.00 H new ATOM 0 HA CYS A 14 7.806 2.041 0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.387 3.286 -1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.945 1.872 -0.574 1.00 0.00 H new ATOM 296 N LEU A 15 9.185 3.711 -1.626 1.00 0.00 N ATOM 297 CA LEU A 15 10.194 3.554 -2.715 1.00 0.00 C ATOM 298 C LEU A 15 11.450 2.869 -2.168 1.00 0.00 C ATOM 299 O LEU A 15 12.102 2.112 -2.859 1.00 0.00 O ATOM 300 CB LEU A 15 10.560 4.929 -3.273 1.00 0.00 C ATOM 301 CG LEU A 15 11.460 4.774 -4.501 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.596 4.567 -5.745 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.304 6.039 -4.674 1.00 0.00 C ATOM 0 H LEU A 15 8.871 4.666 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 15 9.771 2.940 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.655 5.474 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.071 5.516 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 15 12.114 3.913 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.238 4.457 -6.619 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.992 3.668 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.942 5.428 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.946 5.931 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.648 6.899 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.920 6.189 -3.788 1.00 0.00 H new ATOM 315 N GLN A 16 11.801 3.131 -0.941 1.00 0.00 N ATOM 316 CA GLN A 16 13.022 2.495 -0.368 1.00 0.00 C ATOM 317 C GLN A 16 12.926 0.974 -0.512 1.00 0.00 C ATOM 318 O GLN A 16 13.913 0.300 -0.732 1.00 0.00 O ATOM 319 CB GLN A 16 13.144 2.862 1.112 1.00 0.00 C ATOM 320 CG GLN A 16 13.376 4.369 1.246 1.00 0.00 C ATOM 321 CD GLN A 16 13.453 4.744 2.728 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.035 3.987 3.580 1.00 0.00 O ATOM 323 NE2 GLN A 16 13.975 5.890 3.071 1.00 0.00 N ATOM 0 H GLN A 16 11.298 3.756 -0.311 1.00 0.00 H new ATOM 0 HA GLN A 16 13.901 2.854 -0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.238 2.574 1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.969 2.314 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.299 4.652 0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.567 4.917 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.326 6.525 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.032 6.150 4.056 1.00 0.00 H new ATOM 332 N CYS A 17 11.747 0.427 -0.390 1.00 0.00 N ATOM 333 CA CYS A 17 11.594 -1.051 -0.523 1.00 0.00 C ATOM 334 C CYS A 17 11.009 -1.382 -1.891 1.00 0.00 C ATOM 335 O CYS A 17 11.730 -1.665 -2.827 1.00 0.00 O ATOM 336 CB CYS A 17 10.659 -1.562 0.572 1.00 0.00 C ATOM 337 SG CYS A 17 11.568 -1.669 2.137 1.00 0.00 S ATOM 0 H CYS A 17 10.884 0.938 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 17 12.568 -1.530 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.806 -0.892 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.264 -2.541 0.301 1.00 0.00 H new ATOM 342 N HIS A 18 9.710 -1.346 -2.016 1.00 0.00 N ATOM 343 CA HIS A 18 9.084 -1.655 -3.323 1.00 0.00 C ATOM 344 C HIS A 18 8.410 -0.400 -3.872 1.00 0.00 C ATOM 345 O HIS A 18 7.914 0.430 -3.137 1.00 0.00 O ATOM 346 CB HIS A 18 8.060 -2.773 -3.147 1.00 0.00 C ATOM 347 CG HIS A 18 7.038 -2.392 -2.116 1.00 0.00 C ATOM 348 ND1 HIS A 18 6.186 -1.313 -2.294 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.709 -2.937 -0.895 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.396 -1.237 -1.209 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.676 -2.202 -0.331 1.00 0.00 N ATOM 0 H HIS A 18 9.059 -1.115 -1.266 1.00 0.00 H new ATOM 0 HA HIS A 18 9.847 -1.985 -4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.568 -2.976 -4.098 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.564 -3.692 -2.846 1.00 0.00 H new ATOM 0 HD1 HIS A 18 6.163 -0.690 -3.101 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.180 -3.800 -0.447 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.631 -0.489 -1.066 1.00 0.00 H new ATOM 359 N THR A 19 8.413 -0.253 -5.164 1.00 0.00 N ATOM 360 CA THR A 19 7.798 0.954 -5.789 1.00 0.00 C ATOM 361 C THR A 19 6.466 0.577 -6.439 1.00 0.00 C ATOM 362 O THR A 19 6.157 -0.585 -6.614 1.00 0.00 O ATOM 363 CB THR A 19 8.742 1.500 -6.864 1.00 0.00 C ATOM 364 OG1 THR A 19 8.570 0.755 -8.062 1.00 0.00 O ATOM 365 CG2 THR A 19 10.191 1.374 -6.392 1.00 0.00 C ATOM 0 H THR A 19 8.817 -0.920 -5.821 1.00 0.00 H new ATOM 0 HA THR A 19 7.627 1.710 -5.023 1.00 0.00 H new ATOM 0 HB THR A 19 8.513 2.550 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.172 1.103 -8.753 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.859 1.764 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.325 1.943 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.424 0.325 -6.207 1.00 0.00 H new ATOM 373 N VAL A 20 5.676 1.554 -6.803 1.00 0.00 N ATOM 374 CA VAL A 20 4.367 1.254 -7.448 1.00 0.00 C ATOM 375 C VAL A 20 4.457 1.530 -8.948 1.00 0.00 C ATOM 376 O VAL A 20 3.457 1.626 -9.631 1.00 0.00 O ATOM 377 CB VAL A 20 3.267 2.125 -6.836 1.00 0.00 C ATOM 378 CG1 VAL A 20 2.912 1.601 -5.444 1.00 0.00 C ATOM 379 CG2 VAL A 20 3.765 3.568 -6.724 1.00 0.00 C ATOM 0 H VAL A 20 5.882 2.545 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 20 4.125 0.204 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 20 2.382 2.091 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.129 2.223 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.558 0.573 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.796 1.634 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.983 4.190 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.650 3.599 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.017 3.944 -7.716 1.00 0.00 H new ATOM 389 N GLU A 21 5.644 1.650 -9.470 1.00 0.00 N ATOM 390 CA GLU A 21 5.785 1.907 -10.927 1.00 0.00 C ATOM 391 C GLU A 21 5.069 0.796 -11.695 1.00 0.00 C ATOM 392 O GLU A 21 4.981 -0.327 -11.239 1.00 0.00 O ATOM 393 CB GLU A 21 7.267 1.923 -11.308 1.00 0.00 C ATOM 394 CG GLU A 21 7.972 3.059 -10.568 1.00 0.00 C ATOM 395 CD GLU A 21 9.439 3.116 -10.997 1.00 0.00 C ATOM 396 OE1 GLU A 21 9.870 2.206 -11.684 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.106 4.069 -10.629 1.00 0.00 O ATOM 0 H GLU A 21 6.520 1.581 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 21 5.345 2.873 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.729 0.969 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.375 2.054 -12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.482 4.008 -10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.903 2.904 -9.491 1.00 0.00 H new ATOM 404 N LYS A 22 4.550 1.098 -12.850 1.00 0.00 N ATOM 405 CA LYS A 22 3.834 0.055 -13.636 1.00 0.00 C ATOM 406 C LYS A 22 4.725 -1.182 -13.769 1.00 0.00 C ATOM 407 O LYS A 22 4.247 -2.294 -13.865 1.00 0.00 O ATOM 408 CB LYS A 22 3.508 0.600 -15.028 1.00 0.00 C ATOM 409 CG LYS A 22 2.660 -0.419 -15.792 1.00 0.00 C ATOM 410 CD LYS A 22 2.388 0.099 -17.205 1.00 0.00 C ATOM 411 CE LYS A 22 1.415 -0.843 -17.916 1.00 0.00 C ATOM 412 NZ LYS A 22 1.159 -0.344 -19.296 1.00 0.00 N ATOM 0 H LYS A 22 4.590 2.020 -13.284 1.00 0.00 H new ATOM 0 HA LYS A 22 2.909 -0.215 -13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.971 1.545 -14.943 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.429 0.805 -15.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.178 -1.377 -15.838 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.719 -0.590 -15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.970 1.105 -17.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.321 0.166 -17.765 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.829 -1.850 -17.953 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.479 -0.904 -17.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.497 -0.984 -19.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.746 0.609 -19.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.054 -0.308 -19.824 1.00 0.00 H new ATOM 426 N GLY A 23 6.016 -0.996 -13.776 1.00 0.00 N ATOM 427 CA GLY A 23 6.935 -2.163 -13.904 1.00 0.00 C ATOM 428 C GLY A 23 8.219 -1.903 -13.110 1.00 0.00 C ATOM 429 O GLY A 23 9.311 -2.138 -13.587 1.00 0.00 O ATOM 0 H GLY A 23 6.474 -0.088 -13.699 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.446 -3.065 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.174 -2.336 -14.953 1.00 0.00 H new ATOM 433 N GLY A 24 8.096 -1.422 -11.905 1.00 0.00 N ATOM 434 CA GLY A 24 9.313 -1.151 -11.085 1.00 0.00 C ATOM 435 C GLY A 24 10.019 -2.472 -10.763 1.00 0.00 C ATOM 436 O GLY A 24 9.400 -3.517 -10.723 1.00 0.00 O ATOM 0 H GLY A 24 7.208 -1.205 -11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.988 -0.488 -11.626 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.036 -0.640 -10.163 1.00 0.00 H new ATOM 440 N PRO A 25 11.307 -2.426 -10.536 1.00 0.00 N ATOM 441 CA PRO A 25 12.113 -3.640 -10.212 1.00 0.00 C ATOM 442 C PRO A 25 11.792 -4.191 -8.820 1.00 0.00 C ATOM 443 O PRO A 25 11.648 -3.449 -7.869 1.00 0.00 O ATOM 444 CB PRO A 25 13.559 -3.144 -10.263 1.00 0.00 C ATOM 445 CG PRO A 25 13.478 -1.681 -9.991 1.00 0.00 C ATOM 446 CD PRO A 25 12.138 -1.211 -10.555 1.00 0.00 C ATOM 0 HA PRO A 25 11.907 -4.457 -10.904 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.176 -3.650 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.009 -3.340 -11.236 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.541 -1.481 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.305 -1.152 -10.464 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.703 -0.419 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.245 -0.815 -11.565 1.00 0.00 H new ATOM 454 N HIS A 26 11.689 -5.484 -8.690 1.00 0.00 N ATOM 455 CA HIS A 26 11.385 -6.070 -7.355 1.00 0.00 C ATOM 456 C HIS A 26 12.629 -5.967 -6.471 1.00 0.00 C ATOM 457 O HIS A 26 13.213 -6.961 -6.089 1.00 0.00 O ATOM 458 CB HIS A 26 11.007 -7.544 -7.514 1.00 0.00 C ATOM 459 CG HIS A 26 9.808 -7.668 -8.408 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.673 -6.887 -8.243 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.550 -8.487 -9.475 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.791 -7.252 -9.192 1.00 0.00 C ATOM 463 NE2 HIS A 26 8.279 -8.223 -9.966 1.00 0.00 N ATOM 0 H HIS A 26 11.802 -6.158 -9.447 1.00 0.00 H new ATOM 0 HA HIS A 26 10.555 -5.529 -6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.845 -8.100 -7.935 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.792 -7.981 -6.539 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.533 -6.168 -7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.231 -9.225 -9.873 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.811 -6.814 -9.312 1.00 0.00 H new ATOM 472 N LYS A 27 13.043 -4.774 -6.143 1.00 0.00 N ATOM 473 CA LYS A 27 14.252 -4.623 -5.288 1.00 0.00 C ATOM 474 C LYS A 27 14.101 -5.494 -4.041 1.00 0.00 C ATOM 475 O LYS A 27 15.037 -6.130 -3.598 1.00 0.00 O ATOM 476 CB LYS A 27 14.400 -3.157 -4.872 1.00 0.00 C ATOM 477 CG LYS A 27 15.655 -2.996 -4.014 1.00 0.00 C ATOM 478 CD LYS A 27 15.783 -1.539 -3.565 1.00 0.00 C ATOM 479 CE LYS A 27 17.104 -1.348 -2.817 1.00 0.00 C ATOM 480 NZ LYS A 27 17.550 0.068 -2.951 1.00 0.00 N ATOM 0 H LYS A 27 12.598 -3.902 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 27 15.136 -4.934 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.466 -2.522 -5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.521 -2.836 -4.314 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.601 -3.652 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.537 -3.291 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.744 -0.876 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.946 -1.272 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.979 -1.603 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.863 -2.019 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.448 0.199 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.685 0.296 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.829 0.699 -2.547 1.00 0.00 H new ATOM 494 N VAL A 28 12.929 -5.533 -3.474 1.00 0.00 N ATOM 495 CA VAL A 28 12.717 -6.370 -2.260 1.00 0.00 C ATOM 496 C VAL A 28 11.284 -6.900 -2.253 1.00 0.00 C ATOM 497 O VAL A 28 11.044 -8.069 -2.027 1.00 0.00 O ATOM 498 CB VAL A 28 12.964 -5.525 -1.011 1.00 0.00 C ATOM 499 CG1 VAL A 28 11.846 -4.497 -0.840 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.006 -6.435 0.217 1.00 0.00 C ATOM 0 H VAL A 28 12.108 -5.022 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 28 13.411 -7.211 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 28 13.915 -5.003 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.033 -3.901 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.816 -3.844 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.891 -5.012 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.182 -5.834 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.055 -6.959 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.811 -7.161 0.104 1.00 0.00 H new ATOM 510 N GLY A 29 10.333 -6.047 -2.501 1.00 0.00 N ATOM 511 CA GLY A 29 8.911 -6.500 -2.511 1.00 0.00 C ATOM 512 C GLY A 29 8.464 -6.759 -3.954 1.00 0.00 C ATOM 513 O GLY A 29 9.258 -6.728 -4.872 1.00 0.00 O ATOM 0 H GLY A 29 10.475 -5.056 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.804 -7.408 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.274 -5.743 -2.053 1.00 0.00 H new ATOM 517 N PRO A 30 7.199 -7.035 -4.145 1.00 0.00 N ATOM 518 CA PRO A 30 6.619 -7.333 -5.480 1.00 0.00 C ATOM 519 C PRO A 30 6.197 -6.087 -6.263 1.00 0.00 C ATOM 520 O PRO A 30 5.547 -6.187 -7.284 1.00 0.00 O ATOM 521 CB PRO A 30 5.401 -8.214 -5.156 1.00 0.00 C ATOM 522 CG PRO A 30 5.150 -8.088 -3.678 1.00 0.00 C ATOM 523 CD PRO A 30 6.169 -7.097 -3.110 1.00 0.00 C ATOM 0 HA PRO A 30 7.353 -7.812 -6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.529 -7.891 -5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.592 -9.252 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.134 -7.739 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.248 -9.058 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.721 -6.120 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.576 -7.441 -2.159 1.00 0.00 H new ATOM 531 N ASN A 31 6.561 -4.919 -5.814 1.00 0.00 N ATOM 532 CA ASN A 31 6.174 -3.690 -6.564 1.00 0.00 C ATOM 533 C ASN A 31 4.708 -3.788 -6.982 1.00 0.00 C ATOM 534 O ASN A 31 4.382 -4.354 -8.006 1.00 0.00 O ATOM 535 CB ASN A 31 7.049 -3.550 -7.807 1.00 0.00 C ATOM 536 CG ASN A 31 8.503 -3.376 -7.381 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.779 -2.661 -6.322 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 9.398 -3.897 -8.012 1.00 0.00 N flip ATOM 0 H ASN A 31 7.106 -4.761 -4.966 1.00 0.00 H new ATOM 0 HA ASN A 31 6.313 -2.818 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.946 -4.432 -8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.726 -2.693 -8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.182 -4.455 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.367 -3.777 -7.717 1.00 0.00 H new ATOM 545 N LEU A 32 3.816 -3.259 -6.194 1.00 0.00 N ATOM 546 CA LEU A 32 2.374 -3.354 -6.555 1.00 0.00 C ATOM 547 C LEU A 32 1.898 -2.087 -7.254 1.00 0.00 C ATOM 548 O LEU A 32 2.262 -0.987 -6.897 1.00 0.00 O ATOM 549 CB LEU A 32 1.531 -3.538 -5.308 1.00 0.00 C ATOM 550 CG LEU A 32 2.421 -3.750 -4.086 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.535 -3.978 -2.863 1.00 0.00 C ATOM 552 CD2 LEU A 32 3.310 -4.976 -4.304 1.00 0.00 C ATOM 0 H LEU A 32 4.019 -2.769 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 32 2.264 -4.208 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.899 -2.663 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.867 -4.393 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 32 3.050 -2.873 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.161 -4.131 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.898 -3.107 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.913 -4.859 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.944 -5.125 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.685 -5.857 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.935 -4.821 -5.184 1.00 0.00 H new ATOM 564 N HIS A 33 1.058 -2.244 -8.231 1.00 0.00 N ATOM 565 CA HIS A 33 0.515 -1.067 -8.953 1.00 0.00 C ATOM 566 C HIS A 33 -0.867 -1.421 -9.492 1.00 0.00 C ATOM 567 O HIS A 33 -1.015 -2.284 -10.335 1.00 0.00 O ATOM 568 CB HIS A 33 1.452 -0.713 -10.108 1.00 0.00 C ATOM 569 CG HIS A 33 0.859 0.410 -10.913 1.00 0.00 C ATOM 570 ND1 HIS A 33 0.699 1.688 -10.396 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.383 0.463 -12.201 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.149 2.450 -11.360 1.00 0.00 C ATOM 573 NE2 HIS A 33 -0.063 1.751 -12.476 1.00 0.00 N ATOM 0 H HIS A 33 0.720 -3.147 -8.564 1.00 0.00 H new ATOM 0 HA HIS A 33 0.437 -0.211 -8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.428 -0.420 -9.721 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.609 -1.585 -10.743 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.359 -0.367 -12.892 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.091 3.497 -11.244 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.468 2.090 -13.349 1.00 0.00 H new ATOM 582 N GLY A 34 -1.884 -0.770 -9.008 1.00 0.00 N ATOM 583 CA GLY A 34 -3.257 -1.079 -9.486 1.00 0.00 C ATOM 584 C GLY A 34 -3.918 -2.077 -8.533 1.00 0.00 C ATOM 585 O GLY A 34 -5.003 -2.560 -8.785 1.00 0.00 O ATOM 0 H GLY A 34 -1.824 -0.037 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.849 -0.165 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.218 -1.493 -10.493 1.00 0.00 H new ATOM 589 N ILE A 35 -3.281 -2.388 -7.432 1.00 0.00 N ATOM 590 CA ILE A 35 -3.896 -3.349 -6.475 1.00 0.00 C ATOM 591 C ILE A 35 -5.301 -2.869 -6.130 1.00 0.00 C ATOM 592 O ILE A 35 -6.206 -3.652 -5.919 1.00 0.00 O ATOM 593 CB ILE A 35 -3.070 -3.418 -5.192 1.00 0.00 C ATOM 594 CG1 ILE A 35 -1.650 -3.908 -5.491 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.738 -4.379 -4.210 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.700 -5.217 -6.286 1.00 0.00 C ATOM 0 H ILE A 35 -2.370 -2.020 -7.159 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.931 -4.338 -6.933 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.014 -2.420 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.107 -3.151 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.106 -4.060 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.150 -4.430 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.742 -4.023 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.800 -5.371 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.685 -5.556 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.225 -5.976 -5.705 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.226 -5.052 -7.226 1.00 0.00 H new ATOM 608 N PHE A 36 -5.491 -1.585 -6.074 1.00 0.00 N ATOM 609 CA PHE A 36 -6.835 -1.049 -5.748 1.00 0.00 C ATOM 610 C PHE A 36 -7.873 -1.741 -6.637 1.00 0.00 C ATOM 611 O PHE A 36 -7.847 -1.620 -7.846 1.00 0.00 O ATOM 612 CB PHE A 36 -6.846 0.457 -6.017 1.00 0.00 C ATOM 613 CG PHE A 36 -6.015 1.173 -4.973 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.611 1.130 -5.024 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.654 1.893 -3.954 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.857 1.804 -4.057 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.897 2.567 -2.990 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.499 2.524 -3.041 1.00 0.00 C ATOM 0 H PHE A 36 -4.771 -0.882 -6.240 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.073 -1.233 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.450 0.660 -7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.870 0.831 -5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.115 0.578 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.733 1.927 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.778 1.769 -4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.392 3.121 -2.206 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.915 3.046 -2.297 1.00 0.00 H new ATOM 628 N GLY A 37 -8.785 -2.468 -6.048 1.00 0.00 N ATOM 629 CA GLY A 37 -9.820 -3.169 -6.862 1.00 0.00 C ATOM 630 C GLY A 37 -9.340 -4.583 -7.210 1.00 0.00 C ATOM 631 O GLY A 37 -9.935 -5.263 -8.022 1.00 0.00 O ATOM 0 H GLY A 37 -8.858 -2.606 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.758 -3.220 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.019 -2.608 -7.775 1.00 0.00 H new ATOM 635 N ARG A 38 -8.271 -5.029 -6.602 1.00 0.00 N ATOM 636 CA ARG A 38 -7.752 -6.401 -6.897 1.00 0.00 C ATOM 637 C ARG A 38 -7.724 -7.234 -5.618 1.00 0.00 C ATOM 638 O ARG A 38 -7.911 -6.732 -4.528 1.00 0.00 O ATOM 639 CB ARG A 38 -6.327 -6.315 -7.450 1.00 0.00 C ATOM 640 CG ARG A 38 -6.330 -5.676 -8.841 1.00 0.00 C ATOM 641 CD ARG A 38 -6.776 -6.707 -9.885 1.00 0.00 C ATOM 642 NE ARG A 38 -6.522 -6.166 -11.252 1.00 0.00 N ATOM 643 CZ ARG A 38 -5.320 -6.206 -11.756 1.00 0.00 C ATOM 644 NH1 ARG A 38 -4.339 -6.718 -11.066 1.00 0.00 N ATOM 645 NH2 ARG A 38 -5.099 -5.732 -12.952 1.00 0.00 N ATOM 0 H ARG A 38 -7.734 -4.503 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.409 -6.867 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.703 -5.729 -6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.890 -7.312 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.001 -4.817 -8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.334 -5.307 -9.084 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.233 -7.642 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.835 -6.932 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.289 -5.765 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.512 -7.088 -10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.399 -6.749 -11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.866 -5.331 -13.491 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.159 -5.763 -13.347 1.00 0.00 H new ATOM 659 N HIS A 39 -7.482 -8.508 -5.752 1.00 0.00 N ATOM 660 CA HIS A 39 -7.431 -9.389 -4.557 1.00 0.00 C ATOM 661 C HIS A 39 -6.002 -9.450 -4.031 1.00 0.00 C ATOM 662 O HIS A 39 -5.048 -9.419 -4.782 1.00 0.00 O ATOM 663 CB HIS A 39 -7.889 -10.794 -4.936 1.00 0.00 C ATOM 664 CG HIS A 39 -9.392 -10.837 -4.945 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.140 -10.059 -5.813 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.303 -11.556 -4.208 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.438 -10.326 -5.587 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.591 -11.230 -4.618 1.00 0.00 N ATOM 0 H HIS A 39 -7.317 -8.977 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.088 -8.988 -3.786 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.499 -11.064 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.496 -11.522 -4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.056 -12.264 -3.431 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.255 -9.866 -6.123 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.468 -11.603 -4.255 1.00 0.00 H new ATOM 677 N SER A 40 -5.847 -9.532 -2.742 1.00 0.00 N ATOM 678 CA SER A 40 -4.482 -9.592 -2.163 1.00 0.00 C ATOM 679 C SER A 40 -3.716 -10.754 -2.782 1.00 0.00 C ATOM 680 O SER A 40 -4.225 -11.848 -2.909 1.00 0.00 O ATOM 681 CB SER A 40 -4.581 -9.811 -0.655 1.00 0.00 C ATOM 682 OG SER A 40 -3.731 -8.889 0.014 1.00 0.00 O ATOM 0 H SER A 40 -6.609 -9.560 -2.064 1.00 0.00 H new ATOM 0 HA SER A 40 -3.962 -8.657 -2.369 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.611 -9.678 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.295 -10.833 -0.405 1.00 0.00 H new ATOM 0 HG SER A 40 -3.194 -8.401 -0.645 1.00 0.00 H new ATOM 688 N GLY A 41 -2.490 -10.530 -3.152 1.00 0.00 N ATOM 689 CA GLY A 41 -1.684 -11.629 -3.745 1.00 0.00 C ATOM 690 C GLY A 41 -1.619 -11.498 -5.266 1.00 0.00 C ATOM 691 O GLY A 41 -1.001 -12.306 -5.931 1.00 0.00 O ATOM 0 H GLY A 41 -2.010 -9.634 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.676 -11.610 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.121 -12.591 -3.477 1.00 0.00 H new ATOM 695 N GLN A 42 -2.242 -10.500 -5.834 1.00 0.00 N ATOM 696 CA GLN A 42 -2.189 -10.361 -7.319 1.00 0.00 C ATOM 697 C GLN A 42 -1.133 -9.327 -7.712 1.00 0.00 C ATOM 698 O GLN A 42 -1.221 -8.167 -7.364 1.00 0.00 O ATOM 699 CB GLN A 42 -3.562 -9.934 -7.835 1.00 0.00 C ATOM 700 CG GLN A 42 -4.563 -11.042 -7.518 1.00 0.00 C ATOM 701 CD GLN A 42 -5.957 -10.629 -7.993 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.206 -9.466 -8.244 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.883 -11.538 -8.130 1.00 0.00 N ATOM 0 H GLN A 42 -2.778 -9.784 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.918 -11.319 -7.763 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.870 -9.000 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.524 -9.754 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.261 -11.968 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.577 -11.237 -6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.675 -12.514 -7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.815 -11.273 -8.448 1.00 0.00 H new ATOM 712 N ALA A 43 -0.136 -9.748 -8.441 1.00 0.00 N ATOM 713 CA ALA A 43 0.935 -8.807 -8.870 1.00 0.00 C ATOM 714 C ALA A 43 1.273 -9.058 -10.341 1.00 0.00 C ATOM 715 O ALA A 43 1.041 -10.127 -10.868 1.00 0.00 O ATOM 716 CB ALA A 43 2.184 -9.027 -8.013 1.00 0.00 C ATOM 0 H ALA A 43 -0.017 -10.710 -8.759 1.00 0.00 H new ATOM 0 HA ALA A 43 0.588 -7.781 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.967 -8.338 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.943 -8.848 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.533 -10.053 -8.135 1.00 0.00 H new ATOM 722 N GLU A 44 1.818 -8.078 -11.007 1.00 0.00 N ATOM 723 CA GLU A 44 2.169 -8.253 -12.444 1.00 0.00 C ATOM 724 C GLU A 44 3.627 -8.694 -12.567 1.00 0.00 C ATOM 725 O GLU A 44 3.973 -9.510 -13.398 1.00 0.00 O ATOM 726 CB GLU A 44 1.974 -6.927 -13.183 1.00 0.00 C ATOM 727 CG GLU A 44 0.498 -6.527 -13.133 1.00 0.00 C ATOM 728 CD GLU A 44 0.290 -5.240 -13.932 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.279 -4.644 -14.326 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.856 -4.871 -14.136 1.00 0.00 O ATOM 0 H GLU A 44 2.036 -7.161 -10.617 1.00 0.00 H new ATOM 0 HA GLU A 44 1.523 -9.013 -12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.588 -6.150 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.301 -7.024 -14.218 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.120 -7.326 -13.543 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.185 -6.380 -12.099 1.00 0.00 H new ATOM 737 N GLY A 45 4.486 -8.156 -11.746 1.00 0.00 N ATOM 738 CA GLY A 45 5.922 -8.537 -11.818 1.00 0.00 C ATOM 739 C GLY A 45 6.164 -9.786 -10.971 1.00 0.00 C ATOM 740 O GLY A 45 6.360 -10.867 -11.491 1.00 0.00 O ATOM 0 H GLY A 45 4.254 -7.469 -11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.207 -8.726 -12.853 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.545 -7.717 -11.461 1.00 0.00 H new ATOM 744 N TYR A 46 6.154 -9.647 -9.670 1.00 0.00 N ATOM 745 CA TYR A 46 6.382 -10.830 -8.789 1.00 0.00 C ATOM 746 C TYR A 46 5.171 -11.067 -7.903 1.00 0.00 C ATOM 747 O TYR A 46 4.659 -10.167 -7.269 1.00 0.00 O ATOM 748 CB TYR A 46 7.619 -10.596 -7.913 1.00 0.00 C ATOM 749 CG TYR A 46 7.569 -11.517 -6.713 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.466 -12.902 -6.895 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.616 -10.987 -5.416 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.409 -13.752 -5.783 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.559 -11.833 -4.309 1.00 0.00 C ATOM 754 CZ TYR A 46 7.455 -13.217 -4.489 1.00 0.00 C ATOM 755 OH TYR A 46 7.398 -14.054 -3.393 1.00 0.00 O ATOM 0 H TYR A 46 5.998 -8.766 -9.181 1.00 0.00 H new ATOM 0 HA TYR A 46 6.541 -11.707 -9.416 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.526 -10.781 -8.489 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.655 -9.557 -7.586 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.431 -13.314 -7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.697 -9.919 -5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.330 -14.820 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.595 -11.420 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 46 7.443 -13.521 -2.572 1.00 0.00 H new ATOM 765 N SER A 47 4.714 -12.286 -7.848 1.00 0.00 N ATOM 766 CA SER A 47 3.545 -12.593 -6.994 1.00 0.00 C ATOM 767 C SER A 47 3.963 -12.428 -5.536 1.00 0.00 C ATOM 768 O SER A 47 5.123 -12.529 -5.198 1.00 0.00 O ATOM 769 CB SER A 47 3.090 -14.032 -7.246 1.00 0.00 C ATOM 770 OG SER A 47 3.963 -14.926 -6.568 1.00 0.00 O ATOM 0 H SER A 47 5.102 -13.079 -8.359 1.00 0.00 H new ATOM 0 HA SER A 47 2.719 -11.920 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.067 -14.169 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.092 -14.244 -8.315 1.00 0.00 H new ATOM 0 HG SER A 47 3.673 -15.849 -6.726 1.00 0.00 H new ATOM 776 N TYR A 48 3.033 -12.160 -4.678 1.00 0.00 N ATOM 777 CA TYR A 48 3.374 -11.969 -3.238 1.00 0.00 C ATOM 778 C TYR A 48 3.877 -13.279 -2.626 1.00 0.00 C ATOM 779 O TYR A 48 4.036 -14.276 -3.300 1.00 0.00 O ATOM 780 CB TYR A 48 2.133 -11.507 -2.488 1.00 0.00 C ATOM 781 CG TYR A 48 1.720 -10.148 -2.997 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.084 -10.025 -4.237 1.00 0.00 C ATOM 783 CD2 TYR A 48 1.985 -9.007 -2.230 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.710 -8.764 -4.709 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.612 -7.746 -2.704 1.00 0.00 C ATOM 786 CZ TYR A 48 0.973 -7.627 -3.943 1.00 0.00 C ATOM 787 OH TYR A 48 0.605 -6.386 -4.414 1.00 0.00 O ATOM 0 H TYR A 48 2.043 -12.063 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 48 4.162 -11.220 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.322 -12.222 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.337 -11.461 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.882 -10.905 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.477 -9.101 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.218 -8.669 -5.666 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.817 -6.865 -2.114 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.243 -6.118 -4.002 1.00 0.00 H new ATOM 797 N THR A 49 4.128 -13.275 -1.343 1.00 0.00 N ATOM 798 CA THR A 49 4.618 -14.509 -0.666 1.00 0.00 C ATOM 799 C THR A 49 3.508 -15.565 -0.666 1.00 0.00 C ATOM 800 O THR A 49 2.337 -15.248 -0.632 1.00 0.00 O ATOM 801 CB THR A 49 5.009 -14.180 0.776 1.00 0.00 C ATOM 802 OG1 THR A 49 5.955 -13.120 0.778 1.00 0.00 O ATOM 803 CG2 THR A 49 5.623 -15.415 1.436 1.00 0.00 C ATOM 0 H THR A 49 4.014 -12.465 -0.733 1.00 0.00 H new ATOM 0 HA THR A 49 5.488 -14.895 -1.198 1.00 0.00 H new ATOM 0 HB THR A 49 4.122 -13.878 1.333 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.851 -13.481 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.901 -15.178 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.896 -16.227 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.510 -15.721 0.881 1.00 0.00 H new ATOM 811 N ASP A 50 3.870 -16.818 -0.714 1.00 0.00 N ATOM 812 CA ASP A 50 2.839 -17.894 -0.731 1.00 0.00 C ATOM 813 C ASP A 50 1.805 -17.653 0.373 1.00 0.00 C ATOM 814 O ASP A 50 0.628 -17.895 0.191 1.00 0.00 O ATOM 815 CB ASP A 50 3.516 -19.248 -0.504 1.00 0.00 C ATOM 816 CG ASP A 50 2.505 -20.371 -0.740 1.00 0.00 C ATOM 817 OD1 ASP A 50 1.402 -20.068 -1.167 1.00 0.00 O ATOM 818 OD2 ASP A 50 2.850 -21.515 -0.492 1.00 0.00 O ATOM 0 H ASP A 50 4.836 -17.143 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 50 2.335 -17.888 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.364 -19.360 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.908 -19.305 0.512 1.00 0.00 H new ATOM 823 N ALA A 51 2.223 -17.181 1.516 1.00 0.00 N ATOM 824 CA ALA A 51 1.242 -16.936 2.613 1.00 0.00 C ATOM 825 C ALA A 51 0.238 -15.875 2.164 1.00 0.00 C ATOM 826 O ALA A 51 -0.956 -16.098 2.151 1.00 0.00 O ATOM 827 CB ALA A 51 1.981 -16.443 3.859 1.00 0.00 C ATOM 0 H ALA A 51 3.193 -16.956 1.737 1.00 0.00 H new ATOM 0 HA ALA A 51 0.717 -17.862 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.264 -16.264 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.700 -17.197 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.506 -15.516 3.628 1.00 0.00 H new ATOM 833 N ASN A 52 0.718 -14.725 1.784 1.00 0.00 N ATOM 834 CA ASN A 52 -0.196 -13.647 1.319 1.00 0.00 C ATOM 835 C ASN A 52 -1.015 -14.149 0.131 1.00 0.00 C ATOM 836 O ASN A 52 -2.201 -13.909 0.033 1.00 0.00 O ATOM 837 CB ASN A 52 0.639 -12.439 0.891 1.00 0.00 C ATOM 838 CG ASN A 52 -0.277 -11.349 0.338 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.481 -11.511 0.302 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.243 -10.233 -0.097 1.00 0.00 N ATOM 0 H ASN A 52 1.709 -14.484 1.776 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.872 -13.362 2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.204 -12.056 1.741 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.365 -12.736 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.361 -9.499 -0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.253 -10.095 -0.067 1.00 0.00 H new ATOM 847 N ILE A 53 -0.388 -14.843 -0.775 1.00 0.00 N ATOM 848 CA ILE A 53 -1.124 -15.363 -1.959 1.00 0.00 C ATOM 849 C ILE A 53 -2.189 -16.363 -1.510 1.00 0.00 C ATOM 850 O ILE A 53 -3.275 -16.410 -2.050 1.00 0.00 O ATOM 851 CB ILE A 53 -0.143 -16.040 -2.908 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.881 -15.010 -3.387 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.901 -16.608 -4.109 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.990 -15.720 -4.164 1.00 0.00 C ATOM 0 H ILE A 53 0.605 -15.073 -0.747 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.612 -14.536 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 53 0.368 -16.852 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.397 -14.267 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.303 -14.477 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.198 -17.092 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.634 -17.338 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.412 -15.800 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.721 -14.987 -4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.480 -16.446 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.560 -16.233 -5.024 1.00 0.00 H new ATOM 866 N LYS A 54 -1.893 -17.161 -0.519 1.00 0.00 N ATOM 867 CA LYS A 54 -2.903 -18.145 -0.043 1.00 0.00 C ATOM 868 C LYS A 54 -4.173 -17.392 0.346 1.00 0.00 C ATOM 869 O LYS A 54 -5.274 -17.800 0.032 1.00 0.00 O ATOM 870 CB LYS A 54 -2.356 -18.888 1.173 1.00 0.00 C ATOM 871 CG LYS A 54 -3.378 -19.927 1.635 1.00 0.00 C ATOM 872 CD LYS A 54 -2.856 -20.637 2.886 1.00 0.00 C ATOM 873 CE LYS A 54 -3.801 -21.783 3.255 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.200 -22.585 4.358 1.00 0.00 N ATOM 0 H LYS A 54 -1.002 -17.173 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.124 -18.864 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.414 -19.375 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.146 -18.185 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.331 -19.444 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.559 -20.652 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.853 -21.023 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.783 -19.931 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.768 -21.386 3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.979 -22.416 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.841 -23.364 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.287 -22.974 4.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.052 -21.977 5.188 1.00 0.00 H new ATOM 888 N LYS A 55 -4.021 -16.286 1.015 1.00 0.00 N ATOM 889 CA LYS A 55 -5.200 -15.483 1.419 1.00 0.00 C ATOM 890 C LYS A 55 -5.365 -14.322 0.438 1.00 0.00 C ATOM 891 O LYS A 55 -4.462 -13.532 0.246 1.00 0.00 O ATOM 892 CB LYS A 55 -4.966 -14.936 2.825 1.00 0.00 C ATOM 893 CG LYS A 55 -4.959 -16.091 3.830 1.00 0.00 C ATOM 894 CD LYS A 55 -4.835 -15.533 5.249 1.00 0.00 C ATOM 895 CE LYS A 55 -4.720 -16.688 6.246 1.00 0.00 C ATOM 896 NZ LYS A 55 -6.063 -16.981 6.821 1.00 0.00 N ATOM 0 H LYS A 55 -3.120 -15.902 1.301 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.099 -16.099 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.018 -14.400 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.747 -14.221 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.875 -16.674 3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.129 -16.765 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.959 -14.888 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.704 -14.919 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.324 -17.574 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.021 -16.429 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.987 -17.766 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.424 -16.136 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.717 -17.246 6.057 1.00 0.00 H new ATOM 910 N ASN A 56 -6.504 -14.212 -0.191 1.00 0.00 N ATOM 911 CA ASN A 56 -6.715 -13.101 -1.164 1.00 0.00 C ATOM 912 C ASN A 56 -8.024 -12.379 -0.849 1.00 0.00 C ATOM 913 O ASN A 56 -9.071 -12.988 -0.744 1.00 0.00 O ATOM 914 CB ASN A 56 -6.789 -13.673 -2.579 1.00 0.00 C ATOM 915 CG ASN A 56 -6.622 -15.192 -2.527 1.00 0.00 C ATOM 916 OD1 ASN A 56 -5.515 -15.692 -2.488 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.683 -15.953 -2.526 1.00 0.00 N ATOM 0 H ASN A 56 -7.297 -14.843 -0.074 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.885 -12.398 -1.091 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.745 -13.417 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.010 -13.232 -3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.583 -16.968 -2.492 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.612 -15.533 -2.559 1.00 0.00 H new ATOM 924 N VAL A 57 -7.972 -11.084 -0.703 1.00 0.00 N ATOM 925 CA VAL A 57 -9.209 -10.314 -0.402 1.00 0.00 C ATOM 926 C VAL A 57 -9.325 -9.139 -1.367 1.00 0.00 C ATOM 927 O VAL A 57 -8.372 -8.427 -1.609 1.00 0.00 O ATOM 928 CB VAL A 57 -9.143 -9.786 1.030 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.453 -9.078 1.378 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.915 -10.950 1.995 1.00 0.00 C ATOM 0 H VAL A 57 -7.122 -10.525 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.077 -10.964 -0.513 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.318 -9.079 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.403 -8.702 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.610 -8.245 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.281 -9.781 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.868 -10.572 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.737 -11.661 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.977 -11.448 1.749 1.00 0.00 H new ATOM 940 N LEU A 58 -10.491 -8.917 -1.910 1.00 0.00 N ATOM 941 CA LEU A 58 -10.654 -7.775 -2.848 1.00 0.00 C ATOM 942 C LEU A 58 -10.139 -6.514 -2.169 1.00 0.00 C ATOM 943 O LEU A 58 -10.272 -6.345 -0.974 1.00 0.00 O ATOM 944 CB LEU A 58 -12.128 -7.598 -3.200 1.00 0.00 C ATOM 945 CG LEU A 58 -12.283 -6.414 -4.157 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.558 -6.717 -5.469 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.769 -6.193 -4.441 1.00 0.00 C ATOM 0 H LEU A 58 -11.330 -9.473 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.094 -7.966 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.515 -8.506 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.711 -7.427 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.854 -5.520 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.669 -5.873 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.500 -6.885 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.988 -7.609 -5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.888 -5.351 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.190 -7.090 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.290 -5.981 -3.508 1.00 0.00 H new ATOM 959 N TRP A 59 -9.537 -5.636 -2.917 1.00 0.00 N ATOM 960 CA TRP A 59 -8.999 -4.398 -2.308 1.00 0.00 C ATOM 961 C TRP A 59 -9.910 -3.206 -2.588 1.00 0.00 C ATOM 962 O TRP A 59 -10.500 -3.085 -3.642 1.00 0.00 O ATOM 963 CB TRP A 59 -7.610 -4.126 -2.872 1.00 0.00 C ATOM 964 CG TRP A 59 -6.611 -4.925 -2.106 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.792 -5.866 -2.627 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.327 -4.879 -0.679 1.00 0.00 C ATOM 967 NE1 TRP A 59 -5.004 -6.381 -1.615 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.301 -5.807 -0.395 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.852 -4.121 0.383 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.812 -5.980 0.898 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.364 -4.295 1.688 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.345 -5.224 1.945 1.00 0.00 C ATOM 0 H TRP A 59 -9.396 -5.724 -3.923 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.945 -4.536 -1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.574 -4.391 -3.929 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.376 -3.064 -2.802 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.759 -6.166 -3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.291 -7.097 -1.753 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.635 -3.401 0.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.025 -6.695 1.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.775 -3.711 2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.973 -5.355 2.950 1.00 0.00 H new ATOM 983 N ASP A 60 -10.010 -2.322 -1.637 1.00 0.00 N ATOM 984 CA ASP A 60 -10.860 -1.115 -1.804 1.00 0.00 C ATOM 985 C ASP A 60 -10.157 0.059 -1.124 1.00 0.00 C ATOM 986 O ASP A 60 -9.311 -0.126 -0.272 1.00 0.00 O ATOM 987 CB ASP A 60 -12.223 -1.350 -1.150 1.00 0.00 C ATOM 988 CG ASP A 60 -13.164 -0.195 -1.501 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.766 0.647 -2.290 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.264 -0.173 -0.977 1.00 0.00 O ATOM 0 H ASP A 60 -9.531 -2.387 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.012 -0.903 -2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.645 -2.294 -1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.111 -1.426 -0.068 1.00 0.00 H new ATOM 995 N GLU A 61 -10.484 1.263 -1.493 1.00 0.00 N ATOM 996 CA GLU A 61 -9.812 2.430 -0.862 1.00 0.00 C ATOM 997 C GLU A 61 -9.944 2.330 0.659 1.00 0.00 C ATOM 998 O GLU A 61 -9.033 2.659 1.393 1.00 0.00 O ATOM 999 CB GLU A 61 -10.479 3.716 -1.349 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.321 3.823 -2.867 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.957 5.123 -3.357 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.576 5.799 -2.552 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.813 5.422 -4.531 1.00 0.00 O ATOM 0 H GLU A 61 -11.183 1.490 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.757 2.439 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.535 3.716 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.027 4.581 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.265 3.799 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.793 2.969 -3.353 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.068 1.876 1.138 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.253 1.752 2.611 1.00 0.00 C ATOM 1012 C ASN A 62 -10.476 0.541 3.139 1.00 0.00 C ATOM 1013 O ASN A 62 -9.809 0.614 4.152 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.740 1.576 2.924 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.516 2.796 2.423 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -13.049 3.992 2.656 1.00 0.00 O flip ATOM 1017 ND2 ASN A 62 -14.557 2.659 1.812 1.00 0.00 N flip ATOM 0 H ASN A 62 -11.867 1.585 0.574 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.879 2.655 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.118 0.671 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.885 1.456 3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.922 1.724 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.066 3.479 1.481 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.566 -0.577 2.468 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.844 -1.793 2.939 1.00 0.00 C ATOM 1026 C ASN A 63 -8.333 -1.558 2.906 1.00 0.00 C ATOM 1027 O ASN A 63 -7.611 -1.949 3.806 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.193 -2.968 2.025 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.679 -3.301 2.164 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.328 -2.864 3.094 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.251 -4.063 1.271 1.00 0.00 N ATOM 0 H ASN A 63 -11.109 -0.700 1.613 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.145 -2.013 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.961 -2.718 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.589 -3.837 2.286 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.242 -4.291 1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.707 -4.430 0.490 1.00 0.00 H new ATOM 1038 N MET A 64 -7.842 -0.927 1.878 1.00 0.00 N ATOM 1039 CA MET A 64 -6.381 -0.678 1.795 1.00 0.00 C ATOM 1040 C MET A 64 -5.938 0.187 2.973 1.00 0.00 C ATOM 1041 O MET A 64 -4.849 0.032 3.489 1.00 0.00 O ATOM 1042 CB MET A 64 -6.050 0.024 0.479 1.00 0.00 C ATOM 1043 CG MET A 64 -6.249 -0.948 -0.685 1.00 0.00 C ATOM 1044 SD MET A 64 -5.351 -0.339 -2.133 1.00 0.00 S ATOM 1045 CE MET A 64 -3.681 -0.748 -1.557 1.00 0.00 C ATOM 0 H MET A 64 -8.390 -0.574 1.093 1.00 0.00 H new ATOM 0 HA MET A 64 -5.851 -1.630 1.833 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.689 0.897 0.350 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.021 0.382 0.495 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.890 -1.940 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.310 -1.045 -0.915 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.263 0.103 -1.020 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.727 -1.610 -0.892 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.048 -0.983 -2.413 1.00 0.00 H new ATOM 1055 N SER A 65 -6.768 1.092 3.411 1.00 0.00 N ATOM 1056 CA SER A 65 -6.373 1.949 4.561 1.00 0.00 C ATOM 1057 C SER A 65 -6.042 1.051 5.752 1.00 0.00 C ATOM 1058 O SER A 65 -5.163 1.341 6.540 1.00 0.00 O ATOM 1059 CB SER A 65 -7.530 2.880 4.928 1.00 0.00 C ATOM 1060 OG SER A 65 -8.601 2.110 5.457 1.00 0.00 O ATOM 0 H SER A 65 -7.695 1.274 3.026 1.00 0.00 H new ATOM 0 HA SER A 65 -5.503 2.549 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.201 3.618 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.862 3.431 4.048 1.00 0.00 H new ATOM 0 HG SER A 65 -9.009 1.581 4.740 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.733 -0.049 5.879 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.449 -0.972 7.010 1.00 0.00 C ATOM 1068 C GLU A 66 -5.042 -1.547 6.846 1.00 0.00 C ATOM 1069 O GLU A 66 -4.306 -1.694 7.802 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.471 -2.111 7.010 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.866 -1.545 7.282 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.877 -2.690 7.350 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.502 -3.806 7.028 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.010 -2.433 7.722 1.00 0.00 O ATOM 0 H GLU A 66 -7.479 -0.346 5.250 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.516 -0.429 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.457 -2.626 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.211 -2.847 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.868 -0.988 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.146 -0.845 6.495 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.656 -1.872 5.639 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.291 -2.433 5.430 1.00 0.00 C ATOM 1083 C TYR A 67 -2.245 -1.381 5.792 1.00 0.00 C ATOM 1084 O TYR A 67 -1.262 -1.667 6.441 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.099 -2.835 3.969 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.751 -3.500 3.826 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -0.619 -2.729 3.535 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.630 -4.884 3.998 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.632 -3.341 3.416 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.377 -5.498 3.876 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.755 -4.726 3.586 1.00 0.00 C ATOM 1092 OH TYR A 67 1.990 -5.330 3.469 1.00 0.00 O ATOM 0 H TYR A 67 -5.223 -1.774 4.797 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.176 -3.312 6.065 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.891 -3.515 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.159 -1.958 3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.712 -1.661 3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.503 -5.478 4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.505 -2.745 3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.284 -6.566 4.005 1.00 0.00 H new ATOM 0 HH TYR A 67 1.898 -6.294 3.617 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.445 -0.163 5.376 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.455 0.899 5.694 1.00 0.00 C ATOM 1104 C LEU A 68 -1.190 0.916 7.201 1.00 0.00 C ATOM 1105 O LEU A 68 -0.101 1.220 7.644 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.011 2.254 5.259 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.319 2.234 3.759 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.756 3.630 3.312 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.067 1.826 2.981 1.00 0.00 C ATOM 0 H LEU A 68 -3.251 0.142 4.830 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.523 0.699 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.916 2.483 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.290 3.041 5.481 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.117 1.517 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.976 3.618 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.649 3.926 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.955 4.343 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.290 1.813 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.268 2.541 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.750 0.832 3.298 1.00 0.00 H new ATOM 1121 N THR A 69 -2.174 0.595 7.992 1.00 0.00 N ATOM 1122 CA THR A 69 -1.974 0.597 9.463 1.00 0.00 C ATOM 1123 C THR A 69 -0.752 -0.255 9.823 1.00 0.00 C ATOM 1124 O THR A 69 0.043 0.112 10.666 1.00 0.00 O ATOM 1125 CB THR A 69 -3.218 0.014 10.132 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.371 0.703 9.670 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.102 0.172 11.643 1.00 0.00 C ATOM 0 H THR A 69 -3.109 0.331 7.681 1.00 0.00 H new ATOM 0 HA THR A 69 -1.809 1.617 9.809 1.00 0.00 H new ATOM 0 HB THR A 69 -3.304 -1.044 9.883 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.713 0.264 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.989 -0.244 12.121 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.217 -0.357 11.997 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.017 1.230 11.893 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.593 -1.385 9.192 1.00 0.00 N ATOM 1136 CA ASN A 70 0.581 -2.255 9.501 1.00 0.00 C ATOM 1137 C ASN A 70 0.887 -3.152 8.297 1.00 0.00 C ATOM 1138 O ASN A 70 0.125 -3.221 7.356 1.00 0.00 O ATOM 1139 CB ASN A 70 0.265 -3.123 10.719 1.00 0.00 C ATOM 1140 CG ASN A 70 1.558 -3.742 11.254 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.768 -5.020 11.101 1.00 0.00 O flip ATOM 1142 ND2 ASN A 70 2.388 -3.053 11.814 1.00 0.00 N flip ATOM 0 H ASN A 70 -1.224 -1.745 8.476 1.00 0.00 H new ATOM 0 HA ASN A 70 1.448 -1.631 9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.211 -2.522 11.494 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.441 -3.908 10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.224 -2.053 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.248 -3.474 12.164 1.00 0.00 H new ATOM 1149 N HIS A 71 2.000 -3.840 8.315 1.00 0.00 N ATOM 1150 CA HIS A 71 2.345 -4.723 7.162 1.00 0.00 C ATOM 1151 C HIS A 71 2.083 -6.189 7.511 1.00 0.00 C ATOM 1152 O HIS A 71 2.557 -6.697 8.508 1.00 0.00 O ATOM 1153 CB HIS A 71 3.827 -4.552 6.808 1.00 0.00 C ATOM 1154 CG HIS A 71 3.951 -3.649 5.615 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.302 -2.425 5.556 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.618 -3.783 4.415 1.00 0.00 C ATOM 1157 CE1 HIS A 71 3.584 -1.873 4.364 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.378 -2.658 3.638 1.00 0.00 N ATOM 0 H HIS A 71 2.681 -3.829 9.074 1.00 0.00 H new ATOM 0 HA HIS A 71 1.723 -4.441 6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.369 -4.131 7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.276 -5.522 6.593 1.00 0.00 H new ATOM 0 HD1 HIS A 71 2.717 -2.018 6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.228 -4.626 4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.213 -0.913 4.036 1.00 0.00 H new ATOM 1166 N ALA A 72 1.355 -6.880 6.674 1.00 0.00 N ATOM 1167 CA ALA A 72 1.086 -8.325 6.924 1.00 0.00 C ATOM 1168 C ALA A 72 0.000 -8.512 7.987 1.00 0.00 C ATOM 1169 O ALA A 72 -0.609 -9.560 8.074 1.00 0.00 O ATOM 1170 CB ALA A 72 2.374 -8.986 7.401 1.00 0.00 C ATOM 0 H ALA A 72 0.934 -6.503 5.825 1.00 0.00 H new ATOM 0 HA ALA A 72 0.737 -8.781 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.192 -10.044 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.143 -8.880 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.709 -8.507 8.321 1.00 0.00 H new ATOM 1176 N LYS A 73 -0.252 -7.527 8.802 1.00 0.00 N ATOM 1177 CA LYS A 73 -1.301 -7.698 9.847 1.00 0.00 C ATOM 1178 C LYS A 73 -2.620 -8.083 9.177 1.00 0.00 C ATOM 1179 O LYS A 73 -3.323 -8.964 9.629 1.00 0.00 O ATOM 1180 CB LYS A 73 -1.479 -6.391 10.619 1.00 0.00 C ATOM 1181 CG LYS A 73 -2.488 -6.595 11.750 1.00 0.00 C ATOM 1182 CD LYS A 73 -2.706 -5.270 12.483 1.00 0.00 C ATOM 1183 CE LYS A 73 -3.610 -5.497 13.696 1.00 0.00 C ATOM 1184 NZ LYS A 73 -3.324 -4.463 14.730 1.00 0.00 N ATOM 0 H LYS A 73 0.216 -6.621 8.792 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.000 -8.483 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.522 -6.065 11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.824 -5.605 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.433 -6.960 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.124 -7.352 12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.749 -4.858 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.159 -4.541 11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.657 -5.447 13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.443 -6.493 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.939 -4.617 15.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.328 -4.531 15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.505 -3.518 14.335 1.00 0.00 H new ATOM 1198 N TYR A 74 -2.956 -7.440 8.093 1.00 0.00 N ATOM 1199 CA TYR A 74 -4.222 -7.782 7.389 1.00 0.00 C ATOM 1200 C TYR A 74 -4.130 -9.217 6.868 1.00 0.00 C ATOM 1201 O TYR A 74 -5.102 -9.947 6.851 1.00 0.00 O ATOM 1202 CB TYR A 74 -4.433 -6.825 6.213 1.00 0.00 C ATOM 1203 CG TYR A 74 -5.785 -7.084 5.596 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -6.921 -6.444 6.106 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -5.904 -7.964 4.514 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.175 -6.685 5.534 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -7.158 -8.204 3.943 1.00 0.00 C ATOM 1208 CZ TYR A 74 -8.295 -7.566 4.452 1.00 0.00 C ATOM 1209 OH TYR A 74 -9.532 -7.803 3.889 1.00 0.00 O ATOM 0 H TYR A 74 -2.409 -6.693 7.665 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.061 -7.692 8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.368 -5.792 6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.648 -6.965 5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.829 -5.765 6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.028 -8.458 4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.051 -6.191 5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.249 -8.883 3.108 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.937 -8.591 4.308 1.00 0.00 H new ATOM 1219 N ILE A 75 -2.964 -9.622 6.437 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.790 -11.005 5.907 1.00 0.00 C ATOM 1221 C ILE A 75 -1.786 -11.765 6.783 1.00 0.00 C ATOM 1222 O ILE A 75 -0.608 -11.812 6.491 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.253 -10.935 4.472 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -1.888 -9.488 4.137 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.318 -11.428 3.493 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.229 -9.439 2.758 1.00 0.00 C ATOM 0 H ILE A 75 -2.120 -9.049 6.430 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.750 -11.521 5.917 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.369 -11.567 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.781 -8.864 4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.210 -9.088 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.930 -11.375 2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.579 -12.460 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.206 -10.801 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.968 -8.409 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.327 -10.051 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.922 -9.823 2.010 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.250 -12.358 7.850 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.372 -13.130 8.774 1.00 0.00 C ATOM 1240 C PRO A 76 -0.574 -14.202 8.032 1.00 0.00 C ATOM 1241 O PRO A 76 -1.065 -14.836 7.119 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.343 -13.772 9.769 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.590 -12.953 9.700 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.650 -12.356 8.295 1.00 0.00 C ATOM 0 HA PRO A 76 -0.630 -12.493 9.256 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.542 -14.811 9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.929 -13.771 10.777 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.468 -13.569 9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.578 -12.166 10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.280 -12.952 7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.064 -11.348 8.307 1.00 0.00 H new ATOM 1252 N GLY A 77 0.658 -14.396 8.405 1.00 0.00 N ATOM 1253 CA GLY A 77 1.493 -15.412 7.712 1.00 0.00 C ATOM 1254 C GLY A 77 2.261 -14.727 6.585 1.00 0.00 C ATOM 1255 O GLY A 77 3.057 -15.334 5.897 1.00 0.00 O ATOM 0 H GLY A 77 1.123 -13.894 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.186 -15.875 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.865 -16.208 7.312 1.00 0.00 H new ATOM 1259 N THR A 78 2.029 -13.454 6.396 1.00 0.00 N ATOM 1260 CA THR A 78 2.741 -12.715 5.320 1.00 0.00 C ATOM 1261 C THR A 78 3.942 -11.978 5.923 1.00 0.00 C ATOM 1262 O THR A 78 3.975 -11.687 7.102 1.00 0.00 O ATOM 1263 CB THR A 78 1.783 -11.719 4.659 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.767 -12.433 3.969 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.556 -10.842 3.671 1.00 0.00 C ATOM 0 H THR A 78 1.374 -12.896 6.944 1.00 0.00 H new ATOM 0 HA THR A 78 3.095 -13.415 4.563 1.00 0.00 H new ATOM 0 HB THR A 78 1.330 -11.086 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.243 -12.957 4.610 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.873 -10.134 3.202 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.336 -10.296 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.010 -11.470 2.905 1.00 0.00 H new ATOM 1273 N LYS A 79 4.938 -11.695 5.128 1.00 0.00 N ATOM 1274 CA LYS A 79 6.148 -11.002 5.659 1.00 0.00 C ATOM 1275 C LYS A 79 5.794 -9.587 6.126 1.00 0.00 C ATOM 1276 O LYS A 79 4.914 -8.942 5.590 1.00 0.00 O ATOM 1277 CB LYS A 79 7.210 -10.922 4.560 1.00 0.00 C ATOM 1278 CG LYS A 79 7.580 -12.336 4.106 1.00 0.00 C ATOM 1279 CD LYS A 79 8.819 -12.279 3.211 1.00 0.00 C ATOM 1280 CE LYS A 79 8.499 -11.494 1.938 1.00 0.00 C ATOM 1281 NZ LYS A 79 8.874 -10.065 2.131 1.00 0.00 N ATOM 0 H LYS A 79 4.967 -11.914 4.132 1.00 0.00 H new ATOM 0 HA LYS A 79 6.532 -11.567 6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.833 -10.344 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.095 -10.404 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.774 -12.968 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.747 -12.784 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.643 -11.806 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.142 -13.288 2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.044 -11.913 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.437 -11.575 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.506 -9.500 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.469 -9.717 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.910 -9.979 2.165 1.00 0.00 H new ATOM 1295 N MET A 80 6.488 -9.101 7.123 1.00 0.00 N ATOM 1296 CA MET A 80 6.220 -7.728 7.644 1.00 0.00 C ATOM 1297 C MET A 80 7.243 -6.763 7.048 1.00 0.00 C ATOM 1298 O MET A 80 8.210 -7.174 6.439 1.00 0.00 O ATOM 1299 CB MET A 80 6.351 -7.725 9.169 1.00 0.00 C ATOM 1300 CG MET A 80 5.231 -8.565 9.782 1.00 0.00 C ATOM 1301 SD MET A 80 5.328 -8.476 11.588 1.00 0.00 S ATOM 1302 CE MET A 80 3.996 -9.646 11.945 1.00 0.00 C ATOM 0 H MET A 80 7.236 -9.602 7.602 1.00 0.00 H new ATOM 0 HA MET A 80 5.212 -7.420 7.367 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.322 -8.126 9.461 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.301 -6.704 9.546 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.261 -8.202 9.441 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.317 -9.601 9.453 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.879 -9.746 13.024 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.065 -9.281 11.512 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.240 -10.617 11.515 1.00 0.00 H new ATOM 1312 N ALA A 81 7.046 -5.480 7.205 1.00 0.00 N ATOM 1313 CA ALA A 81 8.026 -4.523 6.625 1.00 0.00 C ATOM 1314 C ALA A 81 7.821 -3.113 7.190 1.00 0.00 C ATOM 1315 O ALA A 81 8.732 -2.521 7.733 1.00 0.00 O ATOM 1316 CB ALA A 81 7.844 -4.486 5.112 1.00 0.00 C ATOM 0 H ALA A 81 6.260 -5.061 7.702 1.00 0.00 H new ATOM 0 HA ALA A 81 9.032 -4.855 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.558 -3.787 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.013 -5.481 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.830 -4.163 4.875 1.00 0.00 H new ATOM 1322 N PHE A 82 6.646 -2.557 7.056 1.00 0.00 N ATOM 1323 CA PHE A 82 6.427 -1.177 7.576 1.00 0.00 C ATOM 1324 C PHE A 82 5.893 -1.251 9.011 1.00 0.00 C ATOM 1325 O PHE A 82 4.959 -1.973 9.299 1.00 0.00 O ATOM 1326 CB PHE A 82 5.414 -0.441 6.693 1.00 0.00 C ATOM 1327 CG PHE A 82 5.550 1.042 6.919 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.528 1.763 6.225 1.00 0.00 C ATOM 1329 CD2 PHE A 82 4.708 1.694 7.822 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.664 3.138 6.435 1.00 0.00 C ATOM 1331 CE2 PHE A 82 4.843 3.070 8.034 1.00 0.00 C ATOM 1332 CZ PHE A 82 5.823 3.792 7.340 1.00 0.00 C ATOM 0 H PHE A 82 5.837 -2.993 6.614 1.00 0.00 H new ATOM 0 HA PHE A 82 7.373 -0.636 7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.587 -0.679 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.401 -0.766 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.178 1.257 5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.953 1.136 8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.418 3.695 5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.192 3.576 8.732 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.929 4.854 7.504 1.00 0.00 H new ATOM 1342 N GLY A 83 6.486 -0.514 9.914 1.00 0.00 N ATOM 1343 CA GLY A 83 6.019 -0.546 11.332 1.00 0.00 C ATOM 1344 C GLY A 83 4.546 -0.140 11.410 1.00 0.00 C ATOM 1345 O GLY A 83 3.775 -0.715 12.153 1.00 0.00 O ATOM 0 H GLY A 83 7.273 0.108 9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.151 -1.547 11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.623 0.130 11.937 1.00 0.00 H new ATOM 1349 N GLY A 84 4.147 0.844 10.650 1.00 0.00 N ATOM 1350 CA GLY A 84 2.721 1.282 10.683 1.00 0.00 C ATOM 1351 C GLY A 84 2.648 2.812 10.719 1.00 0.00 C ATOM 1352 O GLY A 84 3.507 3.471 11.271 1.00 0.00 O ATOM 0 H GLY A 84 4.746 1.363 10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.195 0.904 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.223 0.864 11.558 1.00 0.00 H new ATOM 1356 N LEU A 85 1.625 3.379 10.138 1.00 0.00 N ATOM 1357 CA LEU A 85 1.486 4.861 10.138 1.00 0.00 C ATOM 1358 C LEU A 85 0.683 5.284 11.370 1.00 0.00 C ATOM 1359 O LEU A 85 -0.531 5.334 11.349 1.00 0.00 O ATOM 1360 CB LEU A 85 0.758 5.280 8.862 1.00 0.00 C ATOM 1361 CG LEU A 85 1.626 4.918 7.645 1.00 0.00 C ATOM 1362 CD1 LEU A 85 0.792 4.962 6.363 1.00 0.00 C ATOM 1363 CD2 LEU A 85 2.777 5.921 7.508 1.00 0.00 C ATOM 0 H LEU A 85 0.877 2.875 9.661 1.00 0.00 H new ATOM 0 HA LEU A 85 2.464 5.340 10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.207 4.778 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.560 6.352 8.877 1.00 0.00 H new ATOM 0 HG LEU A 85 2.019 3.912 7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.421 4.703 5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.029 4.249 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.389 5.965 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.388 5.658 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.372 6.924 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.391 5.895 8.408 1.00 0.00 H new ATOM 1375 N LYS A 86 1.359 5.580 12.448 1.00 0.00 N ATOM 1376 CA LYS A 86 0.654 5.990 13.692 1.00 0.00 C ATOM 1377 C LYS A 86 -0.148 7.268 13.443 1.00 0.00 C ATOM 1378 O LYS A 86 -1.218 7.455 13.988 1.00 0.00 O ATOM 1379 CB LYS A 86 1.687 6.243 14.791 1.00 0.00 C ATOM 1380 CG LYS A 86 2.409 4.937 15.123 1.00 0.00 C ATOM 1381 CD LYS A 86 3.359 5.164 16.300 1.00 0.00 C ATOM 1382 CE LYS A 86 4.175 3.894 16.551 1.00 0.00 C ATOM 1383 NZ LYS A 86 3.865 3.365 17.910 1.00 0.00 N ATOM 0 H LYS A 86 2.376 5.554 12.518 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.029 5.197 13.998 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.405 6.995 14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.197 6.637 15.682 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.684 4.161 15.371 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.966 4.586 14.254 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.025 6.000 16.087 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.792 5.427 17.193 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.942 3.144 15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.240 4.111 16.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.419 2.502 18.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.108 4.080 18.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.851 3.143 17.973 1.00 0.00 H new ATOM 1397 N LYS A 87 0.359 8.150 12.631 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.378 9.415 12.360 1.00 0.00 C ATOM 1399 C LYS A 87 -1.345 9.208 11.195 1.00 0.00 C ATOM 1400 O LYS A 87 -0.971 8.744 10.137 1.00 0.00 O ATOM 1401 CB LYS A 87 0.619 10.521 12.004 1.00 0.00 C ATOM 1402 CG LYS A 87 1.518 10.805 13.210 1.00 0.00 C ATOM 1403 CD LYS A 87 2.436 11.988 12.895 1.00 0.00 C ATOM 1404 CE LYS A 87 3.415 12.195 14.052 1.00 0.00 C ATOM 1405 NZ LYS A 87 2.661 12.578 15.279 1.00 0.00 N ATOM 0 H LYS A 87 1.250 8.051 12.144 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.939 9.702 13.249 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.224 10.219 11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.086 11.426 11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.909 11.027 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.113 9.923 13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.983 11.802 11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.844 12.890 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.981 11.281 14.231 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.136 12.972 13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.315 12.993 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.929 13.275 15.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.212 11.734 15.688 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.589 9.555 11.382 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.585 9.387 10.288 1.00 0.00 C ATOM 1421 C GLU A 88 -3.214 10.299 9.119 1.00 0.00 C ATOM 1422 O GLU A 88 -3.501 10.008 7.975 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.975 9.757 10.803 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.394 8.773 11.897 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.813 9.104 12.364 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.322 10.138 11.964 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.367 8.317 13.114 1.00 0.00 O ATOM 0 H GLU A 88 -2.959 9.948 12.247 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.587 8.350 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.970 10.774 11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.695 9.735 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.353 7.752 11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.701 8.829 12.736 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.583 11.407 9.399 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.201 12.344 8.306 1.00 0.00 C ATOM 1436 C LYS A 89 -1.353 11.607 7.275 1.00 0.00 C ATOM 1437 O LYS A 89 -1.587 11.692 6.086 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.380 13.490 8.893 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.187 14.579 7.835 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.311 15.696 8.405 1.00 0.00 C ATOM 1441 CE LYS A 89 -0.246 16.854 7.407 1.00 0.00 C ATOM 1442 NZ LYS A 89 0.261 18.075 8.095 1.00 0.00 N ATOM 0 H LYS A 89 -2.316 11.703 10.338 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.101 12.733 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.886 13.903 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.411 13.121 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.722 14.157 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.154 14.980 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.718 16.043 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.692 15.319 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.408 16.594 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.234 17.043 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.010 18.917 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.168 18.144 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.295 18.017 8.188 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.369 10.883 7.722 1.00 0.00 N ATOM 1457 CA ASP A 90 0.495 10.139 6.767 1.00 0.00 C ATOM 1458 C ASP A 90 -0.350 9.106 6.021 1.00 0.00 C ATOM 1459 O ASP A 90 -0.366 9.062 4.807 1.00 0.00 O ATOM 1460 CB ASP A 90 1.604 9.426 7.541 1.00 0.00 C ATOM 1461 CG ASP A 90 2.534 10.464 8.172 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.441 11.622 7.797 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.326 10.084 9.020 1.00 0.00 O ATOM 0 H ASP A 90 -0.125 10.774 8.706 1.00 0.00 H new ATOM 0 HA ASP A 90 0.937 10.833 6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.172 8.791 8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.168 8.775 6.873 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.056 8.276 6.740 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.902 7.248 6.070 1.00 0.00 C ATOM 1470 C ARG A 91 -2.925 7.919 5.150 1.00 0.00 C ATOM 1471 O ARG A 91 -3.162 7.474 4.044 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.637 6.428 7.130 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.453 5.331 6.445 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.115 4.448 7.505 1.00 0.00 C ATOM 1475 NE ARG A 91 -5.177 5.224 8.205 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.926 4.642 9.101 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -5.746 3.381 9.384 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.857 5.322 9.714 1.00 0.00 N ATOM 0 H ARG A 91 -1.084 8.265 7.760 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.262 6.597 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.922 5.986 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.292 7.073 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.212 5.776 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.807 4.728 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.545 3.562 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.370 4.102 8.222 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.318 6.210 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.019 2.849 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.332 2.927 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.998 6.308 9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.443 4.868 10.415 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.544 8.977 5.595 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.556 9.658 4.741 1.00 0.00 C ATOM 1494 C ASN A 92 -3.895 10.226 3.485 1.00 0.00 C ATOM 1495 O ASN A 92 -4.404 10.093 2.390 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.203 10.797 5.528 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.027 10.226 6.682 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.156 9.025 6.816 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.608 11.043 7.516 1.00 0.00 N ATOM 0 H ASN A 92 -3.393 9.399 6.511 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.314 8.932 4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.435 11.467 5.914 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.841 11.389 4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.172 10.674 8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.499 12.051 7.402 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.769 10.862 3.634 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.080 11.443 2.446 1.00 0.00 C ATOM 1508 C ASP A 93 -1.669 10.321 1.492 1.00 0.00 C ATOM 1509 O ASP A 93 -1.762 10.448 0.289 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.837 12.208 2.903 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.260 13.424 3.729 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.435 13.754 3.704 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.402 14.005 4.374 1.00 0.00 O ATOM 0 H ASP A 93 -2.294 11.006 4.525 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.757 12.124 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.195 11.558 3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.255 12.527 2.038 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.212 9.225 2.026 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.787 8.090 1.161 1.00 0.00 C ATOM 1520 C LEU A 94 -1.912 7.717 0.204 1.00 0.00 C ATOM 1521 O LEU A 94 -1.796 7.848 -0.997 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.476 6.880 2.038 1.00 0.00 C ATOM 1523 CG LEU A 94 0.997 6.503 1.908 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.269 5.285 2.786 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.321 6.162 0.451 1.00 0.00 C ATOM 0 H LEU A 94 -1.114 9.065 3.029 1.00 0.00 H new ATOM 0 HA LEU A 94 0.095 8.386 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.711 7.105 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.102 6.038 1.744 1.00 0.00 H new ATOM 0 HG LEU A 94 1.620 7.340 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.319 5.004 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.039 5.526 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.644 4.454 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.374 5.894 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.705 5.322 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.115 7.027 -0.180 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.995 7.237 0.737 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.132 6.829 -0.116 1.00 0.00 C ATOM 1539 C ILE A 95 -4.516 7.970 -1.051 1.00 0.00 C ATOM 1540 O ILE A 95 -4.879 7.754 -2.191 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.301 6.456 0.784 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.872 5.297 1.683 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.486 6.032 -0.074 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -6.024 4.913 2.614 1.00 0.00 C ATOM 0 H ILE A 95 -3.140 7.110 1.739 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.855 5.970 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.593 7.310 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.582 4.440 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.998 5.582 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.324 5.765 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.777 6.856 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.206 5.171 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.715 4.086 3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.293 5.769 3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.886 4.609 2.020 1.00 0.00 H new ATOM 1556 N THR A 96 -4.429 9.183 -0.591 1.00 0.00 N ATOM 1557 CA THR A 96 -4.777 10.325 -1.467 1.00 0.00 C ATOM 1558 C THR A 96 -3.921 10.248 -2.733 1.00 0.00 C ATOM 1559 O THR A 96 -4.382 10.512 -3.826 1.00 0.00 O ATOM 1560 CB THR A 96 -4.491 11.628 -0.723 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.098 11.581 0.560 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.064 12.798 -1.512 1.00 0.00 C ATOM 0 H THR A 96 -4.132 9.431 0.353 1.00 0.00 H new ATOM 0 HA THR A 96 -5.832 10.291 -1.737 1.00 0.00 H new ATOM 0 HB THR A 96 -3.414 11.756 -0.613 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.493 11.140 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.861 13.729 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.601 12.833 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.141 12.671 -1.621 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.675 9.881 -2.591 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.784 9.776 -3.777 1.00 0.00 C ATOM 1572 C TYR A 97 -1.979 8.424 -4.468 1.00 0.00 C ATOM 1573 O TYR A 97 -2.132 8.349 -5.671 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.328 9.914 -3.334 1.00 0.00 C ATOM 1575 CG TYR A 97 0.579 9.572 -4.489 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.847 10.523 -5.482 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.150 8.298 -4.569 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.687 10.196 -6.553 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.988 7.971 -5.638 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.258 8.920 -6.631 1.00 0.00 C ATOM 1581 OH TYR A 97 3.086 8.598 -7.687 1.00 0.00 O ATOM 0 H TYR A 97 -2.237 9.649 -1.700 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.033 10.572 -4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.134 10.931 -2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.128 9.252 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.406 11.507 -5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.943 7.565 -3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.895 10.928 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.427 6.986 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 97 3.398 7.674 -7.588 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.965 7.355 -3.721 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.139 6.012 -4.347 1.00 0.00 C ATOM 1593 C LEU A 98 -3.394 6.022 -5.216 1.00 0.00 C ATOM 1594 O LEU A 98 -3.367 5.650 -6.372 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.300 4.956 -3.252 1.00 0.00 C ATOM 1596 CG LEU A 98 -1.085 4.976 -2.322 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.333 4.034 -1.142 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.149 4.505 -3.086 1.00 0.00 C ATOM 0 H LEU A 98 -1.841 7.352 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.266 5.779 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.208 5.148 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.408 3.969 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.925 5.991 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.468 4.047 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.216 4.362 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.491 3.021 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.014 4.519 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.013 3.490 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.329 5.169 -3.932 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.491 6.462 -4.671 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.749 6.514 -5.465 1.00 0.00 C ATOM 1612 C LYS A 99 -5.551 7.450 -6.658 1.00 0.00 C ATOM 1613 O LYS A 99 -6.011 7.187 -7.750 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.884 7.028 -4.576 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.179 7.136 -5.388 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.275 7.752 -4.516 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.578 7.835 -5.315 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.734 7.595 -4.407 1.00 0.00 N ATOM 0 H LYS A 99 -4.572 6.789 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.003 5.519 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.030 6.354 -3.732 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.621 8.002 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.016 7.750 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.487 6.150 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.423 7.149 -3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.975 8.746 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.668 8.815 -5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.573 7.097 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.185 6.690 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.401 7.562 -3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.425 8.365 -4.513 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.863 8.540 -6.455 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.628 9.494 -7.575 1.00 0.00 C ATOM 1634 C LYS A 100 -3.883 8.777 -8.695 1.00 0.00 C ATOM 1635 O LYS A 100 -4.197 8.915 -9.860 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.768 10.652 -7.071 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.730 11.761 -8.124 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.817 12.890 -7.644 1.00 0.00 C ATOM 1639 CE LYS A 100 -2.902 14.066 -8.619 1.00 0.00 C ATOM 1640 NZ LYS A 100 -3.573 13.622 -9.874 1.00 0.00 N ATOM 0 H LYS A 100 -4.453 8.811 -5.561 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.582 9.870 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.173 11.039 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.757 10.302 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.367 11.364 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.735 12.143 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.112 13.210 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.789 12.535 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.458 14.887 -8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.903 14.441 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.556 14.395 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.073 12.797 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.559 13.364 -9.668 1.00 0.00 H new ATOM 1654 N ALA A 101 -2.900 8.003 -8.340 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.123 7.259 -9.369 1.00 0.00 C ATOM 1656 C ALA A 101 -3.020 6.181 -9.968 1.00 0.00 C ATOM 1657 O ALA A 101 -3.144 6.054 -11.169 1.00 0.00 O ATOM 1658 CB ALA A 101 -0.901 6.607 -8.717 1.00 0.00 C ATOM 0 H ALA A 101 -2.599 7.852 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.787 7.941 -10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.333 6.063 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.270 7.378 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.228 5.916 -7.940 1.00 0.00 H new ATOM 1664 N THR A 102 -3.665 5.418 -9.131 1.00 0.00 N ATOM 1665 CA THR A 102 -4.578 4.363 -9.642 1.00 0.00 C ATOM 1666 C THR A 102 -5.701 5.042 -10.421 1.00 0.00 C ATOM 1667 O THR A 102 -6.235 4.499 -11.368 1.00 0.00 O ATOM 1668 CB THR A 102 -5.166 3.578 -8.468 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.111 3.074 -7.661 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.004 2.414 -8.999 1.00 0.00 C ATOM 0 H THR A 102 -3.598 5.481 -8.115 1.00 0.00 H new ATOM 0 HA THR A 102 -4.034 3.673 -10.288 1.00 0.00 H new ATOM 0 HB THR A 102 -5.798 4.236 -7.871 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.773 3.788 -7.081 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.422 1.855 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.814 2.801 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.374 1.755 -9.596 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.062 6.232 -10.024 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.151 6.957 -10.737 1.00 0.00 C ATOM 1680 C GLU A 103 -6.626 7.477 -12.077 1.00 0.00 C ATOM 1681 O GLU A 103 -6.842 6.881 -13.113 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.626 8.136 -9.884 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.830 8.800 -10.554 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.242 10.037 -9.754 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.584 10.327 -8.769 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.208 10.673 -10.141 1.00 0.00 O ATOM 0 H GLU A 103 -5.650 6.733 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 103 -7.984 6.277 -10.912 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.897 7.791 -8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.819 8.859 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.581 9.082 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.661 8.097 -10.611 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 5.053 -2.476 1.657 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.323 -5.274 0.851 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.340 -0.581 0.981 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.781 0.298 2.533 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.805 -4.363 2.259 1.00 0.00 C HETATM 1699 NA HEC A 104 3.224 -2.847 1.040 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.654 -4.073 0.753 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.255 -3.947 0.378 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.988 -2.605 0.376 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.204 -1.944 0.821 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.266 -1.936 -0.098 1.00 0.00 C HETATM 1705 CAA HEC A 104 0.263 -5.084 0.293 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.915 -4.849 -0.660 1.00 0.00 C HETATM 1707 CGA HEC A 104 -1.206 -6.142 -1.424 1.00 0.00 C HETATM 1708 O1A HEC A 104 -0.678 -6.295 -2.512 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.954 -6.956 -0.908 1.00 0.00 O HETATM 1710 NB HEC A 104 4.650 -0.563 1.735 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.475 0.066 1.398 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.560 1.490 1.591 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.821 1.753 1.996 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.480 0.470 2.126 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.428 2.453 1.573 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.435 3.112 2.111 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.787 3.972 3.197 1.00 0.00 C HETATM 1718 NC HEC A 104 6.877 -2.113 2.272 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.434 -0.897 2.596 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.801 -1.028 3.011 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.124 -2.328 2.877 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.911 -3.008 2.461 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.628 0.020 3.668 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.505 -2.888 2.955 1.00 0.00 C HETATM 1725 CBC HEC A 104 10.990 -3.093 4.392 1.00 0.00 C HETATM 1726 ND HEC A 104 5.469 -4.395 1.575 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.667 -5.022 1.850 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.559 -6.466 1.711 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.299 -6.708 1.267 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.627 -5.430 1.233 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.508 -7.486 2.247 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.740 -8.013 0.763 1.00 0.00 C HETATM 1733 CBD HEC A 104 5.801 -9.052 0.387 1.00 0.00 C HETATM 1734 CGD HEC A 104 5.139 -10.169 -0.423 1.00 0.00 C HETATM 1735 O1D HEC A 104 5.803 -10.730 -1.279 1.00 0.00 O HETATM 1736 O2D HEC A 104 3.979 -10.446 -0.171 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.497 -7.322 1.820 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.562 -7.398 3.332 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 7.158 -8.484 1.981 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.702 0.888 3.013 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.163 0.314 4.609 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.626 -0.373 3.864 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.933 2.415 0.602 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.715 2.191 2.354 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.805 3.461 1.749 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.424 -2.164 -1.152 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.114 -2.299 0.483 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.174 -0.857 0.030 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.596 -8.585 -0.195 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 6.262 -9.461 1.286 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 10.992 -2.137 4.915 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.324 -3.786 4.905 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.000 -3.502 4.380 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.729 4.106 2.972 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 4.893 3.479 4.163 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.277 4.945 3.231 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.796 -4.537 -0.099 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.680 -4.045 -1.357 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 4.090 -8.436 1.529 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.117 -7.815 -0.110 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.791 -5.984 -0.022 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.130 -5.278 1.291 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.695 -4.966 2.437 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.335 1.188 2.829 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.470 0.036 0.757 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.765 -6.177 0.603 1.00 0.00 H new