USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 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 67 TYR OH : rot 177:sc= 0.161 USER MOD Set 1.2: A 80 MET CE :methyl -169:sc= -0.286 (180deg=-0.528) USER MOD Set 2.1: A 31 ASN : amide:sc= -0.356 K(o=-11,f=-17!) USER MOD Set 2.2: A 33 HIS : no HE2:sc= -10.4! C(o=-11!,f=-20!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -128:sc= -0.23 (180deg=-1.04) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc=-0.00323 (180deg=-0.389) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 152:sc= 0.24 (180deg=0.0122) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -106:sc= 0.469 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 144:sc= 1.03 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-4.9!) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -2.9! (180deg=-4.67!) USER MOD Single : A 39 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-2.6!) USER MOD Single : A 40 SER OG : rot 134:sc= -0.369 USER MOD Single : A 42 GLN :FLIP amide:sc= -3.39! C(o=-5!,f=-3.4!) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00767 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 80:sc= -1.01 USER MOD Single : A 49 THR OG1 : rot 133:sc= -0.518 USER MOD Single : A 52 ASN :FLIP amide:sc= -4.81! C(o=-10!,f=-4.8!) USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= -1.49 (180deg=-4.32!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.592 F(o=-3.8!,f=-0.59) USER MOD Single : A 62 ASN : amide:sc= -0.0735 K(o=-0.074,f=-2.1!) USER MOD Single : A 63 ASN :FLIP amide:sc= -6.69! C(o=-9.1!,f=-6.7!) USER MOD Single : A 64 MET CE :methyl -136:sc= -2.75! (180deg=-4.27!) USER MOD Single : A 65 SER OG : rot -82:sc= 1.09 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.822 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.969 F(o=-2.4!,f=-0.97) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -1.16 F(o=-2.8!,f=-1.2) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -147:sc= 0.495 USER MOD Single : A 78 THR OG1 : rot -90:sc= -2.13 USER MOD Single : A 79 LYS NZ :NH3+ 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+ -174:sc= -1.19 (180deg=-1.26) USER MOD Single : A 89 LYS NZ :NH3+ -161:sc= -0.0966 (180deg=-0.71) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 130:sc= -0.819 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -50:sc= -0.0601 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 16.243 0.101 -6.745 1.00 0.00 N ATOM 2 CA THR A -5 14.814 0.097 -6.325 1.00 0.00 C ATOM 3 C THR A -5 14.223 -1.297 -6.544 1.00 0.00 C ATOM 4 O THR A -5 13.219 -1.459 -7.209 1.00 0.00 O ATOM 5 CB THR A -5 14.034 1.119 -7.156 1.00 0.00 C ATOM 6 OG1 THR A -5 14.841 2.267 -7.368 1.00 0.00 O ATOM 7 CG2 THR A -5 12.758 1.517 -6.411 1.00 0.00 C ATOM 0 H1 THR A -5 16.512 1.058 -7.052 1.00 0.00 H new ATOM 0 H2 THR A -5 16.841 -0.187 -5.944 1.00 0.00 H new ATOM 0 H3 THR A -5 16.375 -0.565 -7.533 1.00 0.00 H new ATOM 0 HA THR A -5 14.745 0.360 -5.269 1.00 0.00 H new ATOM 0 HB THR A -5 13.767 0.681 -8.118 1.00 0.00 H new ATOM 0 HG1 THR A -5 14.344 2.922 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A -5 12.203 2.245 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A -5 12.140 0.634 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A -5 13.021 1.957 -5.449 1.00 0.00 H new ATOM 17 N GLU A -4 14.837 -2.307 -5.990 1.00 0.00 N ATOM 18 CA GLU A -4 14.310 -3.689 -6.167 1.00 0.00 C ATOM 19 C GLU A -4 13.567 -4.117 -4.900 1.00 0.00 C ATOM 20 O GLU A -4 13.992 -3.839 -3.796 1.00 0.00 O ATOM 21 CB GLU A -4 15.473 -4.649 -6.425 1.00 0.00 C ATOM 22 CG GLU A -4 14.925 -6.041 -6.746 1.00 0.00 C ATOM 23 CD GLU A -4 16.087 -7.024 -6.904 1.00 0.00 C ATOM 24 OE1 GLU A -4 17.219 -6.603 -6.738 1.00 0.00 O ATOM 25 OE2 GLU A -4 15.824 -8.181 -7.187 1.00 0.00 O ATOM 0 H GLU A -4 15.681 -2.234 -5.422 1.00 0.00 H new ATOM 0 HA GLU A -4 13.626 -3.711 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.081 -4.286 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A -4 16.121 -4.695 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A -4 14.259 -6.374 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A -4 14.335 -6.009 -7.662 1.00 0.00 H new ATOM 32 N PHE A -3 12.460 -4.792 -5.049 1.00 0.00 N ATOM 33 CA PHE A -3 11.692 -5.238 -3.853 1.00 0.00 C ATOM 34 C PHE A -3 11.970 -6.717 -3.584 1.00 0.00 C ATOM 35 O PHE A -3 11.936 -7.537 -4.480 1.00 0.00 O ATOM 36 CB PHE A -3 10.195 -5.035 -4.102 1.00 0.00 C ATOM 37 CG PHE A -3 9.393 -5.882 -3.137 1.00 0.00 C ATOM 38 CD1 PHE A -3 9.722 -5.909 -1.775 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.317 -6.644 -3.609 1.00 0.00 C ATOM 40 CE1 PHE A -3 8.975 -6.695 -0.890 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.571 -7.428 -2.722 1.00 0.00 C ATOM 42 CZ PHE A -3 7.900 -7.454 -1.363 1.00 0.00 C ATOM 0 H PHE A -3 12.054 -5.054 -5.948 1.00 0.00 H new ATOM 0 HA PHE A -3 11.999 -4.651 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A -3 9.936 -3.983 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A -3 9.948 -5.305 -5.129 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.552 -5.323 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.063 -6.627 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.229 -6.715 0.159 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.740 -8.014 -3.087 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.324 -8.060 -0.679 1.00 0.00 H new ATOM 52 N LYS A -2 12.242 -7.061 -2.353 1.00 0.00 N ATOM 53 CA LYS A -2 12.522 -8.483 -2.012 1.00 0.00 C ATOM 54 C LYS A -2 11.552 -8.936 -0.919 1.00 0.00 C ATOM 55 O LYS A -2 11.375 -8.271 0.082 1.00 0.00 O ATOM 56 CB LYS A -2 13.960 -8.613 -1.506 1.00 0.00 C ATOM 57 CG LYS A -2 14.303 -10.092 -1.317 1.00 0.00 C ATOM 58 CD LYS A -2 15.720 -10.219 -0.753 1.00 0.00 C ATOM 59 CE LYS A -2 16.125 -11.693 -0.717 1.00 0.00 C ATOM 60 NZ LYS A -2 17.589 -11.799 -0.453 1.00 0.00 N ATOM 0 H LYS A -2 12.282 -6.413 -1.566 1.00 0.00 H new ATOM 0 HA LYS A -2 12.394 -9.106 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.649 -8.157 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.075 -8.079 -0.563 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.587 -10.559 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.231 -10.618 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.420 -9.654 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.763 -9.795 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A -2 15.566 -12.216 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A -2 15.880 -12.172 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 17.866 -12.801 -0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.114 -11.313 -1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.810 -11.356 0.462 1.00 0.00 H new ATOM 74 N ALA A -1 10.919 -10.062 -1.105 1.00 0.00 N ATOM 75 CA ALA A -1 9.958 -10.552 -0.078 1.00 0.00 C ATOM 76 C ALA A -1 10.705 -10.877 1.215 1.00 0.00 C ATOM 77 O ALA A -1 11.290 -11.933 1.358 1.00 0.00 O ATOM 78 CB ALA A -1 9.259 -11.810 -0.595 1.00 0.00 C ATOM 0 H ALA A -1 11.026 -10.663 -1.922 1.00 0.00 H new ATOM 0 HA ALA A -1 9.216 -9.778 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.555 -12.170 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.721 -11.576 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.002 -12.582 -0.796 1.00 0.00 H new ATOM 84 N GLY A 1 10.686 -9.981 2.162 1.00 0.00 N ATOM 85 CA GLY A 1 11.390 -10.240 3.450 1.00 0.00 C ATOM 86 C GLY A 1 10.492 -11.087 4.352 1.00 0.00 C ATOM 87 O GLY A 1 10.179 -12.220 4.040 1.00 0.00 O ATOM 0 H GLY A 1 10.213 -9.079 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.332 -10.757 3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.634 -9.298 3.941 1.00 0.00 H new ATOM 91 N SER A 2 10.068 -10.546 5.463 1.00 0.00 N ATOM 92 CA SER A 2 9.182 -11.318 6.382 1.00 0.00 C ATOM 93 C SER A 2 7.890 -10.532 6.615 1.00 0.00 C ATOM 94 O SER A 2 7.914 -9.369 6.968 1.00 0.00 O ATOM 95 CB SER A 2 9.895 -11.531 7.717 1.00 0.00 C ATOM 96 OG SER A 2 9.093 -12.358 8.550 1.00 0.00 O ATOM 0 H SER A 2 10.297 -9.602 5.774 1.00 0.00 H new ATOM 0 HA SER A 2 8.948 -12.285 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.868 -11.994 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.076 -10.572 8.203 1.00 0.00 H new ATOM 0 HG SER A 2 9.548 -12.498 9.407 1.00 0.00 H new ATOM 102 N ALA A 3 6.762 -11.157 6.423 1.00 0.00 N ATOM 103 CA ALA A 3 5.470 -10.447 6.635 1.00 0.00 C ATOM 104 C ALA A 3 5.278 -10.165 8.126 1.00 0.00 C ATOM 105 O ALA A 3 4.705 -9.166 8.511 1.00 0.00 O ATOM 106 CB ALA A 3 4.320 -11.319 6.129 1.00 0.00 C ATOM 0 H ALA A 3 6.679 -12.130 6.128 1.00 0.00 H new ATOM 0 HA ALA A 3 5.481 -9.505 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.374 -10.800 6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.455 -11.518 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.310 -12.262 6.676 1.00 0.00 H new ATOM 112 N LYS A 4 5.744 -11.046 8.967 1.00 0.00 N ATOM 113 CA LYS A 4 5.582 -10.840 10.432 1.00 0.00 C ATOM 114 C LYS A 4 6.266 -9.541 10.843 1.00 0.00 C ATOM 115 O LYS A 4 5.713 -8.728 11.556 1.00 0.00 O ATOM 116 CB LYS A 4 6.249 -11.997 11.167 1.00 0.00 C ATOM 117 CG LYS A 4 5.685 -13.314 10.645 1.00 0.00 C ATOM 118 CD LYS A 4 6.159 -14.465 11.534 1.00 0.00 C ATOM 119 CE LYS A 4 7.684 -14.570 11.464 1.00 0.00 C ATOM 120 NZ LYS A 4 8.285 -13.838 12.614 1.00 0.00 N ATOM 0 H LYS A 4 6.231 -11.902 8.701 1.00 0.00 H new ATOM 0 HA LYS A 4 4.522 -10.792 10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.328 -11.965 11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.073 -11.912 12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.596 -13.275 10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.009 -13.478 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.842 -14.298 12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.704 -15.401 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.989 -15.616 11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.045 -14.152 10.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.002 -13.171 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.542 -13.314 13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.732 -14.517 13.263 1.00 0.00 H new ATOM 134 N LYS A 5 7.472 -9.352 10.399 1.00 0.00 N ATOM 135 CA LYS A 5 8.214 -8.114 10.761 1.00 0.00 C ATOM 136 C LYS A 5 7.451 -6.888 10.257 1.00 0.00 C ATOM 137 O LYS A 5 7.223 -5.944 10.988 1.00 0.00 O ATOM 138 CB LYS A 5 9.599 -8.156 10.116 1.00 0.00 C ATOM 139 CG LYS A 5 10.404 -9.313 10.711 1.00 0.00 C ATOM 140 CD LYS A 5 11.826 -9.289 10.147 1.00 0.00 C ATOM 141 CE LYS A 5 12.593 -10.516 10.644 1.00 0.00 C ATOM 142 NZ LYS A 5 12.700 -10.466 12.130 1.00 0.00 N ATOM 0 H LYS A 5 7.980 -10.002 9.799 1.00 0.00 H new ATOM 0 HA LYS A 5 8.313 -8.051 11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.506 -8.281 9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.119 -7.213 10.284 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.431 -9.230 11.798 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.924 -10.263 10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.796 -9.282 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.336 -8.377 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.081 -11.428 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.587 -10.542 10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.434 -11.130 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.953 -9.502 12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.787 -10.731 12.553 1.00 0.00 H new ATOM 156 N GLY A 6 7.046 -6.893 9.016 1.00 0.00 N ATOM 157 CA GLY A 6 6.291 -5.726 8.481 1.00 0.00 C ATOM 158 C GLY A 6 4.884 -5.721 9.075 1.00 0.00 C ATOM 159 O GLY A 6 4.279 -4.683 9.254 1.00 0.00 O ATOM 0 H GLY A 6 7.205 -7.651 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.807 -4.799 8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.239 -5.779 7.394 1.00 0.00 H new ATOM 163 N ALA A 7 4.354 -6.876 9.379 1.00 0.00 N ATOM 164 CA ALA A 7 2.984 -6.935 9.959 1.00 0.00 C ATOM 165 C ALA A 7 2.923 -6.047 11.198 1.00 0.00 C ATOM 166 O ALA A 7 1.976 -5.314 11.401 1.00 0.00 O ATOM 167 CB ALA A 7 2.656 -8.378 10.351 1.00 0.00 C ATOM 0 H ALA A 7 4.811 -7.779 9.250 1.00 0.00 H new ATOM 0 HA ALA A 7 2.261 -6.586 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.653 -8.421 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.704 -9.015 9.468 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.378 -8.727 11.089 1.00 0.00 H new ATOM 173 N THR A 8 3.932 -6.088 12.020 1.00 0.00 N ATOM 174 CA THR A 8 3.927 -5.224 13.230 1.00 0.00 C ATOM 175 C THR A 8 4.079 -3.772 12.780 1.00 0.00 C ATOM 176 O THR A 8 3.478 -2.871 13.331 1.00 0.00 O ATOM 177 CB THR A 8 5.073 -5.639 14.165 1.00 0.00 C ATOM 178 OG1 THR A 8 4.579 -5.740 15.493 1.00 0.00 O ATOM 179 CG2 THR A 8 6.202 -4.609 14.122 1.00 0.00 C ATOM 0 H THR A 8 4.756 -6.679 11.907 1.00 0.00 H new ATOM 0 HA THR A 8 2.992 -5.333 13.780 1.00 0.00 H new ATOM 0 HB THR A 8 5.465 -6.602 13.836 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.306 -6.006 16.093 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.004 -4.921 14.791 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.586 -4.533 13.105 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.821 -3.638 14.440 1.00 0.00 H new ATOM 187 N LEU A 9 4.869 -3.543 11.768 1.00 0.00 N ATOM 188 CA LEU A 9 5.056 -2.160 11.259 1.00 0.00 C ATOM 189 C LEU A 9 3.740 -1.658 10.661 1.00 0.00 C ATOM 190 O LEU A 9 3.332 -0.534 10.875 1.00 0.00 O ATOM 191 CB LEU A 9 6.127 -2.183 10.174 1.00 0.00 C ATOM 192 CG LEU A 9 7.463 -2.631 10.775 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.539 -2.578 9.697 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.859 -1.697 11.922 1.00 0.00 C ATOM 0 H LEU A 9 5.396 -4.261 11.270 1.00 0.00 H new ATOM 0 HA LEU A 9 5.359 -1.499 12.071 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.832 -2.861 9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.231 -1.192 9.731 1.00 0.00 H new ATOM 0 HG LEU A 9 7.363 -3.648 11.155 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.493 -2.896 10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.266 -3.242 8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.630 -1.558 9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.810 -2.022 12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.958 -0.679 11.545 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.091 -1.724 12.695 1.00 0.00 H new ATOM 206 N PHE A 10 3.076 -2.493 9.913 1.00 0.00 N ATOM 207 CA PHE A 10 1.782 -2.092 9.291 1.00 0.00 C ATOM 208 C PHE A 10 0.718 -1.929 10.380 1.00 0.00 C ATOM 209 O PHE A 10 0.070 -0.903 10.489 1.00 0.00 O ATOM 210 CB PHE A 10 1.345 -3.191 8.319 1.00 0.00 C ATOM 211 CG PHE A 10 0.082 -2.781 7.599 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.161 -2.951 8.219 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.155 -2.237 6.312 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.332 -2.576 7.551 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.017 -1.863 5.643 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.261 -2.032 6.262 1.00 0.00 C ATOM 0 H PHE A 10 3.376 -3.445 9.703 1.00 0.00 H new ATOM 0 HA PHE A 10 1.903 -1.147 8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.138 -3.383 7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.177 -4.121 8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.216 -3.371 9.212 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.115 -2.106 5.835 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.291 -2.706 8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.961 -1.444 4.649 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.165 -1.743 5.746 1.00 0.00 H new ATOM 226 N LYS A 11 0.537 -2.940 11.187 1.00 0.00 N ATOM 227 CA LYS A 11 -0.477 -2.864 12.268 1.00 0.00 C ATOM 228 C LYS A 11 -0.144 -1.709 13.211 1.00 0.00 C ATOM 229 O LYS A 11 -1.018 -1.062 13.752 1.00 0.00 O ATOM 230 CB LYS A 11 -0.482 -4.180 13.047 1.00 0.00 C ATOM 231 CG LYS A 11 -0.991 -5.305 12.143 1.00 0.00 C ATOM 232 CD LYS A 11 -1.090 -6.602 12.948 1.00 0.00 C ATOM 233 CE LYS A 11 -1.486 -7.751 12.019 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.376 -8.697 12.749 1.00 0.00 N ATOM 0 H LYS A 11 1.053 -3.819 11.140 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.461 -2.693 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.523 -4.410 13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.117 -4.091 13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.967 -5.043 11.734 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.316 -5.440 11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.135 -6.820 13.426 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.827 -6.493 13.744 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.996 -7.361 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.595 -8.271 11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.645 -9.478 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.874 -9.078 13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.231 -8.196 13.064 1.00 0.00 H new ATOM 248 N THR A 12 1.114 -1.450 13.419 1.00 0.00 N ATOM 249 CA THR A 12 1.499 -0.341 14.333 1.00 0.00 C ATOM 250 C THR A 12 1.531 0.985 13.572 1.00 0.00 C ATOM 251 O THR A 12 1.646 2.040 14.164 1.00 0.00 O ATOM 252 CB THR A 12 2.884 -0.623 14.920 1.00 0.00 C ATOM 253 OG1 THR A 12 3.843 -0.653 13.872 1.00 0.00 O ATOM 254 CG2 THR A 12 2.871 -1.970 15.644 1.00 0.00 C ATOM 0 H THR A 12 1.892 -1.957 12.997 1.00 0.00 H new ATOM 0 HA THR A 12 0.764 -0.272 15.135 1.00 0.00 H new ATOM 0 HB THR A 12 3.145 0.163 15.629 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.111 -1.580 13.700 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.858 -2.168 16.061 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.136 -1.944 16.448 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.609 -2.759 14.939 1.00 0.00 H new ATOM 262 N ARG A 13 1.446 0.958 12.266 1.00 0.00 N ATOM 263 CA ARG A 13 1.493 2.244 11.512 1.00 0.00 C ATOM 264 C ARG A 13 0.696 2.162 10.207 1.00 0.00 C ATOM 265 O ARG A 13 1.190 2.514 9.155 1.00 0.00 O ATOM 266 CB ARG A 13 2.949 2.587 11.181 1.00 0.00 C ATOM 267 CG ARG A 13 3.722 2.864 12.472 1.00 0.00 C ATOM 268 CD ARG A 13 5.119 3.382 12.128 1.00 0.00 C ATOM 269 NE ARG A 13 5.939 3.464 13.369 1.00 0.00 N ATOM 270 CZ ARG A 13 5.696 4.392 14.252 1.00 0.00 C ATOM 271 NH1 ARG A 13 4.734 5.251 14.049 1.00 0.00 N ATOM 272 NH2 ARG A 13 6.415 4.464 15.339 1.00 0.00 N ATOM 0 H ARG A 13 1.348 0.116 11.699 1.00 0.00 H new ATOM 0 HA ARG A 13 1.048 3.016 12.140 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.412 1.763 10.639 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.988 3.459 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.189 3.597 13.077 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.796 1.954 13.067 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.597 2.719 11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.049 4.364 11.660 1.00 0.00 H new ATOM 0 HE ARG A 13 6.691 2.794 13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.172 5.196 13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.544 5.977 14.740 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.168 3.794 15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.224 5.190 16.029 1.00 0.00 H new ATOM 286 N CYS A 14 -0.529 1.719 10.251 1.00 0.00 N ATOM 287 CA CYS A 14 -1.319 1.651 8.988 1.00 0.00 C ATOM 288 C CYS A 14 -2.800 1.408 9.300 1.00 0.00 C ATOM 289 O CYS A 14 -3.659 1.620 8.467 1.00 0.00 O ATOM 290 CB CYS A 14 -0.774 0.515 8.122 1.00 0.00 C ATOM 291 SG CYS A 14 -1.006 0.912 6.369 1.00 0.00 S ATOM 0 H CYS A 14 -1.013 1.405 11.092 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.231 2.597 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.284 0.361 8.332 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.286 -0.416 8.364 1.00 0.00 H new ATOM 296 N LEU A 15 -3.108 0.962 10.485 1.00 0.00 N ATOM 297 CA LEU A 15 -4.534 0.703 10.842 1.00 0.00 C ATOM 298 C LEU A 15 -5.308 2.022 10.915 1.00 0.00 C ATOM 299 O LEU A 15 -6.491 2.075 10.644 1.00 0.00 O ATOM 300 CB LEU A 15 -4.596 0.015 12.205 1.00 0.00 C ATOM 301 CG LEU A 15 -3.636 -1.172 12.214 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.808 -1.964 13.512 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.929 -2.076 11.016 1.00 0.00 C ATOM 0 H LEU A 15 -2.434 0.765 11.225 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.980 0.066 10.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.330 0.719 12.993 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.612 -0.323 12.409 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.611 -0.808 12.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.121 -2.811 13.515 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.592 -1.318 14.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.833 -2.328 13.583 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.243 -2.923 11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.955 -2.439 11.077 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.798 -1.511 10.093 1.00 0.00 H new ATOM 315 N GLN A 16 -4.656 3.079 11.306 1.00 0.00 N ATOM 316 CA GLN A 16 -5.355 4.390 11.428 1.00 0.00 C ATOM 317 C GLN A 16 -5.864 4.863 10.062 1.00 0.00 C ATOM 318 O GLN A 16 -6.249 6.004 9.905 1.00 0.00 O ATOM 319 CB GLN A 16 -4.386 5.429 11.996 1.00 0.00 C ATOM 320 CG GLN A 16 -3.237 5.658 11.009 1.00 0.00 C ATOM 321 CD GLN A 16 -2.233 6.640 11.614 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.396 6.260 12.408 1.00 0.00 O ATOM 323 NE2 GLN A 16 -2.282 7.899 11.269 1.00 0.00 N ATOM 0 H GLN A 16 -3.665 3.093 11.548 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.209 4.270 12.095 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.911 6.366 12.182 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.993 5.088 12.954 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.745 4.712 10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.624 6.050 10.069 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.985 8.218 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.617 8.563 11.666 1.00 0.00 H new ATOM 332 N CYS A 17 -5.880 4.008 9.073 1.00 0.00 N ATOM 333 CA CYS A 17 -6.377 4.445 7.736 1.00 0.00 C ATOM 334 C CYS A 17 -6.789 3.226 6.913 1.00 0.00 C ATOM 335 O CYS A 17 -7.928 3.094 6.512 1.00 0.00 O ATOM 336 CB CYS A 17 -5.274 5.206 6.997 1.00 0.00 C ATOM 337 SG CYS A 17 -5.078 6.857 7.721 1.00 0.00 S ATOM 0 H CYS A 17 -5.574 3.037 9.132 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.239 5.098 7.874 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.335 4.657 7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.523 5.290 5.939 1.00 0.00 H new ATOM 342 N HIS A 18 -5.876 2.328 6.657 1.00 0.00 N ATOM 343 CA HIS A 18 -6.231 1.121 5.860 1.00 0.00 C ATOM 344 C HIS A 18 -6.683 0.014 6.803 1.00 0.00 C ATOM 345 O HIS A 18 -5.943 -0.423 7.662 1.00 0.00 O ATOM 346 CB HIS A 18 -5.008 0.634 5.082 1.00 0.00 C ATOM 347 CG HIS A 18 -4.680 1.611 3.992 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.234 1.531 2.723 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.867 2.708 3.977 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.750 2.566 2.004 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.914 3.313 2.730 1.00 0.00 N ATOM 0 H HIS A 18 -4.905 2.378 6.964 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.030 1.374 5.164 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.157 0.525 5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.205 -0.349 4.655 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.887 0.820 2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.275 3.053 4.812 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.006 2.765 0.974 1.00 0.00 H new ATOM 359 N THR A 19 -7.884 -0.457 6.644 1.00 0.00 N ATOM 360 CA THR A 19 -8.360 -1.549 7.529 1.00 0.00 C ATOM 361 C THR A 19 -8.001 -2.884 6.877 1.00 0.00 C ATOM 362 O THR A 19 -8.262 -3.098 5.711 1.00 0.00 O ATOM 363 CB THR A 19 -9.878 -1.448 7.703 1.00 0.00 C ATOM 364 OG1 THR A 19 -10.215 -0.152 8.174 1.00 0.00 O ATOM 365 CG2 THR A 19 -10.349 -2.498 8.711 1.00 0.00 C ATOM 0 H THR A 19 -8.553 -0.136 5.944 1.00 0.00 H new ATOM 0 HA THR A 19 -7.890 -1.472 8.510 1.00 0.00 H new ATOM 0 HB THR A 19 -10.366 -1.624 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.062 0.132 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.430 -2.425 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.091 -3.493 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.862 -2.325 9.671 1.00 0.00 H new ATOM 373 N VAL A 20 -7.396 -3.775 7.614 1.00 0.00 N ATOM 374 CA VAL A 20 -7.010 -5.090 7.029 1.00 0.00 C ATOM 375 C VAL A 20 -7.805 -6.205 7.708 1.00 0.00 C ATOM 376 O VAL A 20 -7.305 -7.284 7.959 1.00 0.00 O ATOM 377 CB VAL A 20 -5.510 -5.300 7.223 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.119 -6.720 6.807 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.755 -4.291 6.354 1.00 0.00 C ATOM 0 H VAL A 20 -7.152 -3.649 8.596 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.235 -5.107 5.963 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.256 -5.157 8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.047 -6.859 6.949 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.663 -7.441 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.368 -6.873 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.682 -4.431 6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.017 -4.444 5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.028 -3.279 6.652 1.00 0.00 H new ATOM 389 N GLU A 21 -9.051 -5.955 7.993 1.00 0.00 N ATOM 390 CA GLU A 21 -9.892 -6.998 8.635 1.00 0.00 C ATOM 391 C GLU A 21 -10.418 -7.921 7.533 1.00 0.00 C ATOM 392 O GLU A 21 -11.403 -8.609 7.695 1.00 0.00 O ATOM 393 CB GLU A 21 -11.062 -6.328 9.367 1.00 0.00 C ATOM 394 CG GLU A 21 -11.704 -7.315 10.348 1.00 0.00 C ATOM 395 CD GLU A 21 -12.917 -6.659 11.008 1.00 0.00 C ATOM 396 OE1 GLU A 21 -13.209 -5.524 10.672 1.00 0.00 O ATOM 397 OE2 GLU A 21 -13.535 -7.305 11.839 1.00 0.00 O ATOM 0 H GLU A 21 -9.524 -5.070 7.808 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.313 -7.572 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.709 -5.447 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.804 -5.985 8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.007 -8.221 9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.980 -7.613 11.107 1.00 0.00 H new ATOM 404 N LYS A 22 -9.760 -7.920 6.401 1.00 0.00 N ATOM 405 CA LYS A 22 -10.197 -8.776 5.261 1.00 0.00 C ATOM 406 C LYS A 22 -11.570 -8.313 4.780 1.00 0.00 C ATOM 407 O LYS A 22 -12.545 -9.035 4.850 1.00 0.00 O ATOM 408 CB LYS A 22 -10.258 -10.240 5.688 1.00 0.00 C ATOM 409 CG LYS A 22 -8.945 -10.621 6.372 1.00 0.00 C ATOM 410 CD LYS A 22 -7.774 -10.416 5.408 1.00 0.00 C ATOM 411 CE LYS A 22 -6.542 -11.142 5.944 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.486 -12.518 5.373 1.00 0.00 N ATOM 0 H LYS A 22 -8.930 -7.356 6.218 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.477 -8.685 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.095 -10.398 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.428 -10.877 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.802 -10.014 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.982 -11.661 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.032 -10.796 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.563 -9.353 5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.639 -10.591 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.580 -11.190 7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.647 -13.012 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.342 -13.042 5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.430 -12.462 4.336 1.00 0.00 H new ATOM 426 N GLY A 23 -11.651 -7.105 4.295 1.00 0.00 N ATOM 427 CA GLY A 23 -12.957 -6.577 3.812 1.00 0.00 C ATOM 428 C GLY A 23 -13.530 -5.605 4.845 1.00 0.00 C ATOM 429 O GLY A 23 -14.685 -5.232 4.789 1.00 0.00 O ATOM 0 H GLY A 23 -10.866 -6.459 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.825 -6.071 2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.654 -7.398 3.645 1.00 0.00 H new ATOM 433 N GLY A 24 -12.729 -5.191 5.790 1.00 0.00 N ATOM 434 CA GLY A 24 -13.228 -4.242 6.825 1.00 0.00 C ATOM 435 C GLY A 24 -13.550 -2.894 6.173 1.00 0.00 C ATOM 436 O GLY A 24 -13.060 -2.579 5.107 1.00 0.00 O ATOM 0 H GLY A 24 -11.753 -5.469 5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.119 -4.647 7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.477 -4.110 7.604 1.00 0.00 H new ATOM 440 N PRO A 25 -14.370 -2.107 6.816 1.00 0.00 N ATOM 441 CA PRO A 25 -14.776 -0.764 6.303 1.00 0.00 C ATOM 442 C PRO A 25 -13.569 0.147 6.056 1.00 0.00 C ATOM 443 O PRO A 25 -12.540 0.012 6.687 1.00 0.00 O ATOM 444 CB PRO A 25 -15.667 -0.184 7.410 1.00 0.00 C ATOM 445 CG PRO A 25 -15.443 -1.041 8.615 1.00 0.00 C ATOM 446 CD PRO A 25 -15.000 -2.409 8.105 1.00 0.00 C ATOM 0 HA PRO A 25 -15.285 -0.842 5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.406 0.854 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.716 -0.196 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.683 -0.605 9.264 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.356 -1.125 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.300 -2.886 8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.845 -3.087 7.989 1.00 0.00 H new ATOM 454 N HIS A 26 -13.686 1.069 5.139 1.00 0.00 N ATOM 455 CA HIS A 26 -12.542 1.981 4.854 1.00 0.00 C ATOM 456 C HIS A 26 -12.637 3.217 5.752 1.00 0.00 C ATOM 457 O HIS A 26 -13.396 4.128 5.487 1.00 0.00 O ATOM 458 CB HIS A 26 -12.597 2.426 3.391 1.00 0.00 C ATOM 459 CG HIS A 26 -12.850 1.240 2.502 1.00 0.00 C ATOM 460 ND1 HIS A 26 -11.818 0.509 1.927 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.013 0.649 2.070 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.376 -0.468 1.186 1.00 0.00 C ATOM 463 NE2 HIS A 26 -13.708 -0.425 1.242 1.00 0.00 N ATOM 0 H HIS A 26 -14.522 1.230 4.577 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.607 1.455 5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.386 3.166 3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -11.659 2.906 3.113 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.010 0.970 2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.815 -1.195 0.618 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.365 -1.050 0.775 1.00 0.00 H new ATOM 472 N LYS A 27 -11.870 3.263 6.807 1.00 0.00 N ATOM 473 CA LYS A 27 -11.920 4.450 7.707 1.00 0.00 C ATOM 474 C LYS A 27 -11.534 5.695 6.903 1.00 0.00 C ATOM 475 O LYS A 27 -12.099 6.758 7.069 1.00 0.00 O ATOM 476 CB LYS A 27 -10.938 4.261 8.865 1.00 0.00 C ATOM 477 CG LYS A 27 -11.119 5.391 9.880 1.00 0.00 C ATOM 478 CD LYS A 27 -10.195 5.156 11.078 1.00 0.00 C ATOM 479 CE LYS A 27 -8.735 5.281 10.636 1.00 0.00 C ATOM 480 NZ LYS A 27 -7.925 5.838 11.757 1.00 0.00 N ATOM 0 H LYS A 27 -11.213 2.533 7.084 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.926 4.566 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.107 3.297 9.345 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.915 4.256 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.892 6.351 9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.157 5.434 10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.411 5.881 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.374 4.167 11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.348 4.305 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.662 5.929 9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.057 6.267 11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.478 6.561 12.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.674 5.074 12.417 1.00 0.00 H new ATOM 494 N VAL A 28 -10.579 5.560 6.025 1.00 0.00 N ATOM 495 CA VAL A 28 -10.147 6.717 5.191 1.00 0.00 C ATOM 496 C VAL A 28 -9.507 6.191 3.909 1.00 0.00 C ATOM 497 O VAL A 28 -10.078 6.266 2.839 1.00 0.00 O ATOM 498 CB VAL A 28 -9.119 7.557 5.953 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.376 8.468 4.973 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.827 8.419 6.999 1.00 0.00 C ATOM 0 H VAL A 28 -10.075 4.691 5.848 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.013 7.336 4.956 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.411 6.892 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.644 9.066 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.866 7.860 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.088 9.128 4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.091 9.015 7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.538 9.081 6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.358 7.776 7.701 1.00 0.00 H new ATOM 510 N GLY A 29 -8.323 5.655 4.012 1.00 0.00 N ATOM 511 CA GLY A 29 -7.638 5.120 2.805 1.00 0.00 C ATOM 512 C GLY A 29 -8.328 3.823 2.362 1.00 0.00 C ATOM 513 O GLY A 29 -8.916 3.123 3.162 1.00 0.00 O ATOM 0 H GLY A 29 -7.800 5.565 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.668 5.855 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.587 4.930 3.024 1.00 0.00 H new ATOM 517 N PRO A 30 -8.262 3.512 1.094 1.00 0.00 N ATOM 518 CA PRO A 30 -8.896 2.283 0.528 1.00 0.00 C ATOM 519 C PRO A 30 -8.302 0.994 1.092 1.00 0.00 C ATOM 520 O PRO A 30 -7.131 0.923 1.406 1.00 0.00 O ATOM 521 CB PRO A 30 -8.610 2.360 -0.973 1.00 0.00 C ATOM 522 CG PRO A 30 -7.497 3.342 -1.132 1.00 0.00 C ATOM 523 CD PRO A 30 -7.574 4.294 0.059 1.00 0.00 C ATOM 0 HA PRO A 30 -9.957 2.252 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.328 1.384 -1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.495 2.681 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.533 2.833 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.595 3.888 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.582 4.605 0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.126 5.201 -0.189 1.00 0.00 H new ATOM 531 N ASN A 31 -9.094 -0.036 1.193 1.00 0.00 N ATOM 532 CA ASN A 31 -8.563 -1.327 1.703 1.00 0.00 C ATOM 533 C ASN A 31 -7.530 -1.841 0.703 1.00 0.00 C ATOM 534 O ASN A 31 -7.699 -1.711 -0.494 1.00 0.00 O ATOM 535 CB ASN A 31 -9.702 -2.340 1.838 1.00 0.00 C ATOM 536 CG ASN A 31 -9.213 -3.556 2.627 1.00 0.00 C ATOM 537 OD1 ASN A 31 -8.058 -3.633 2.995 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.051 -4.518 2.904 1.00 0.00 N ATOM 0 H ASN A 31 -10.083 -0.039 0.945 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.105 -1.187 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.552 -1.882 2.345 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.047 -2.648 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.736 -5.334 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.021 -4.454 2.595 1.00 0.00 H new ATOM 545 N LEU A 32 -6.457 -2.413 1.169 1.00 0.00 N ATOM 546 CA LEU A 32 -5.427 -2.915 0.220 1.00 0.00 C ATOM 547 C LEU A 32 -6.054 -3.996 -0.653 1.00 0.00 C ATOM 548 O LEU A 32 -5.761 -4.112 -1.826 1.00 0.00 O ATOM 549 CB LEU A 32 -4.224 -3.489 0.986 1.00 0.00 C ATOM 550 CG LEU A 32 -3.405 -2.380 1.678 1.00 0.00 C ATOM 551 CD1 LEU A 32 -2.423 -1.750 0.693 1.00 0.00 C ATOM 552 CD2 LEU A 32 -4.310 -1.275 2.214 1.00 0.00 C ATOM 0 H LEU A 32 -6.249 -2.554 2.158 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.073 -2.093 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.575 -4.202 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.583 -4.039 0.297 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.869 -2.846 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.853 -0.969 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.741 -2.514 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.973 -1.316 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.703 -0.509 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.868 -0.830 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.007 -1.695 2.940 1.00 0.00 H new ATOM 564 N HIS A 33 -6.937 -4.771 -0.095 1.00 0.00 N ATOM 565 CA HIS A 33 -7.610 -5.824 -0.898 1.00 0.00 C ATOM 566 C HIS A 33 -8.217 -5.168 -2.131 1.00 0.00 C ATOM 567 O HIS A 33 -8.339 -5.766 -3.181 1.00 0.00 O ATOM 568 CB HIS A 33 -8.730 -6.447 -0.067 1.00 0.00 C ATOM 569 CG HIS A 33 -8.150 -7.091 1.156 1.00 0.00 C ATOM 570 ND1 HIS A 33 -7.601 -6.351 2.195 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.034 -8.403 1.525 1.00 0.00 C ATOM 572 CE1 HIS A 33 -7.181 -7.222 3.131 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.423 -8.483 2.771 1.00 0.00 N ATOM 0 H HIS A 33 -7.222 -4.721 0.883 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.895 -6.594 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.452 -5.683 0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.268 -7.187 -0.660 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.529 -5.335 2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.366 -9.247 0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.707 -6.935 4.058 1.00 0.00 H new ATOM 582 N GLY A 34 -8.612 -3.934 -1.993 1.00 0.00 N ATOM 583 CA GLY A 34 -9.234 -3.207 -3.135 1.00 0.00 C ATOM 584 C GLY A 34 -8.165 -2.792 -4.145 1.00 0.00 C ATOM 585 O GLY A 34 -8.386 -2.814 -5.339 1.00 0.00 O ATOM 0 H GLY A 34 -8.530 -3.393 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.975 -3.843 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.761 -2.325 -2.770 1.00 0.00 H new ATOM 589 N ILE A 35 -7.013 -2.398 -3.679 1.00 0.00 N ATOM 590 CA ILE A 35 -5.944 -1.966 -4.622 1.00 0.00 C ATOM 591 C ILE A 35 -5.598 -3.102 -5.585 1.00 0.00 C ATOM 592 O ILE A 35 -5.328 -2.876 -6.747 1.00 0.00 O ATOM 593 CB ILE A 35 -4.691 -1.567 -3.844 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.026 -0.420 -2.888 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.610 -1.115 -4.828 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.751 0.046 -2.184 1.00 0.00 C ATOM 0 H ILE A 35 -6.766 -2.356 -2.690 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.308 -1.110 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.329 -2.420 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.473 0.408 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.761 -0.748 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.714 -0.829 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.373 -1.933 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.973 -0.261 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.989 0.863 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.323 -0.783 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.031 0.391 -2.926 1.00 0.00 H new ATOM 608 N PHE A 36 -5.591 -4.316 -5.120 1.00 0.00 N ATOM 609 CA PHE A 36 -5.244 -5.441 -6.030 1.00 0.00 C ATOM 610 C PHE A 36 -6.521 -5.944 -6.707 1.00 0.00 C ATOM 611 O PHE A 36 -7.483 -6.300 -6.055 1.00 0.00 O ATOM 612 CB PHE A 36 -4.602 -6.570 -5.218 1.00 0.00 C ATOM 613 CG PHE A 36 -3.403 -6.031 -4.467 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.203 -5.771 -5.145 1.00 0.00 C ATOM 615 CD2 PHE A 36 -3.493 -5.786 -3.090 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.099 -5.267 -4.445 1.00 0.00 C ATOM 617 CE2 PHE A 36 -2.387 -5.283 -2.394 1.00 0.00 C ATOM 618 CZ PHE A 36 -1.192 -5.024 -3.069 1.00 0.00 C ATOM 0 H PHE A 36 -5.808 -4.579 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.539 -5.104 -6.790 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.326 -6.986 -4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.296 -7.380 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.130 -5.959 -6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.416 -5.985 -2.565 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.175 -5.066 -4.967 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.458 -5.095 -1.333 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.340 -4.637 -2.530 1.00 0.00 H new ATOM 628 N GLY A 37 -6.538 -5.969 -8.013 1.00 0.00 N ATOM 629 CA GLY A 37 -7.756 -6.439 -8.733 1.00 0.00 C ATOM 630 C GLY A 37 -7.471 -6.522 -10.235 1.00 0.00 C ATOM 631 O GLY A 37 -6.532 -7.164 -10.662 1.00 0.00 O ATOM 0 H GLY A 37 -5.762 -5.685 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.058 -7.416 -8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.585 -5.756 -8.548 1.00 0.00 H new ATOM 635 N ARG A 38 -8.279 -5.886 -11.042 1.00 0.00 N ATOM 636 CA ARG A 38 -8.054 -5.941 -12.516 1.00 0.00 C ATOM 637 C ARG A 38 -7.354 -4.668 -13.007 1.00 0.00 C ATOM 638 O ARG A 38 -6.421 -4.733 -13.781 1.00 0.00 O ATOM 639 CB ARG A 38 -9.395 -6.095 -13.242 1.00 0.00 C ATOM 640 CG ARG A 38 -10.456 -5.216 -12.576 1.00 0.00 C ATOM 641 CD ARG A 38 -11.225 -4.447 -13.652 1.00 0.00 C ATOM 642 NE ARG A 38 -12.493 -3.919 -13.075 1.00 0.00 N ATOM 643 CZ ARG A 38 -13.471 -4.736 -12.791 1.00 0.00 C ATOM 644 NH1 ARG A 38 -13.337 -6.014 -13.011 1.00 0.00 N ATOM 645 NH2 ARG A 38 -14.582 -4.273 -12.286 1.00 0.00 N ATOM 0 H ARG A 38 -9.083 -5.332 -10.745 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.417 -6.799 -12.733 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.285 -5.815 -14.290 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.711 -7.138 -13.222 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.141 -5.832 -11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.985 -4.520 -11.882 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.617 -3.626 -14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.442 -5.101 -14.497 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.597 -2.919 -12.902 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.468 -6.375 -13.405 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.101 -6.653 -12.789 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.686 -3.273 -12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.346 -4.911 -12.064 1.00 0.00 H new ATOM 659 N HIS A 39 -7.798 -3.513 -12.576 1.00 0.00 N ATOM 660 CA HIS A 39 -7.156 -2.245 -13.038 1.00 0.00 C ATOM 661 C HIS A 39 -6.775 -1.394 -11.828 1.00 0.00 C ATOM 662 O HIS A 39 -7.065 -1.736 -10.699 1.00 0.00 O ATOM 663 CB HIS A 39 -8.137 -1.462 -13.915 1.00 0.00 C ATOM 664 CG HIS A 39 -8.527 -2.289 -15.109 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.789 -2.207 -15.683 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.838 -3.215 -15.853 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.819 -3.062 -16.723 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.655 -3.698 -16.868 1.00 0.00 N ATOM 0 H HIS A 39 -8.575 -3.394 -11.926 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.262 -2.485 -13.614 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.024 -1.199 -13.338 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.681 -0.528 -14.242 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.817 -3.521 -15.676 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.678 -3.214 -17.360 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.415 -4.393 -17.575 1.00 0.00 H new ATOM 677 N SER A 40 -6.123 -0.287 -12.057 1.00 0.00 N ATOM 678 CA SER A 40 -5.723 0.581 -10.918 1.00 0.00 C ATOM 679 C SER A 40 -6.965 0.966 -10.112 1.00 0.00 C ATOM 680 O SER A 40 -8.033 1.157 -10.658 1.00 0.00 O ATOM 681 CB SER A 40 -5.047 1.845 -11.452 1.00 0.00 C ATOM 682 OG SER A 40 -5.053 1.817 -12.873 1.00 0.00 O ATOM 0 H SER A 40 -5.852 0.051 -12.980 1.00 0.00 H new ATOM 0 HA SER A 40 -5.026 0.042 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.570 2.731 -11.092 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.023 1.908 -11.082 1.00 0.00 H new ATOM 0 HG SER A 40 -5.342 2.688 -13.216 1.00 0.00 H new ATOM 688 N GLY A 41 -6.834 1.087 -8.819 1.00 0.00 N ATOM 689 CA GLY A 41 -8.009 1.463 -7.981 1.00 0.00 C ATOM 690 C GLY A 41 -9.031 0.321 -7.975 1.00 0.00 C ATOM 691 O GLY A 41 -8.692 -0.826 -7.767 1.00 0.00 O ATOM 0 H GLY A 41 -5.964 0.942 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.686 1.679 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.468 2.372 -8.370 1.00 0.00 H new ATOM 695 N GLN A 42 -10.276 0.639 -8.213 1.00 0.00 N ATOM 696 CA GLN A 42 -11.350 -0.398 -8.242 1.00 0.00 C ATOM 697 C GLN A 42 -11.577 -0.980 -6.842 1.00 0.00 C ATOM 698 O GLN A 42 -11.698 -2.176 -6.675 1.00 0.00 O ATOM 699 CB GLN A 42 -10.949 -1.525 -9.193 1.00 0.00 C ATOM 700 CG GLN A 42 -10.321 -0.935 -10.453 1.00 0.00 C ATOM 701 CD GLN A 42 -11.030 0.369 -10.811 1.00 0.00 C ATOM 702 OE1 GLN A 42 -10.430 1.499 -10.566 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -12.140 0.360 -11.302 1.00 0.00 N flip ATOM 0 H GLN A 42 -10.600 1.590 -8.392 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.273 0.070 -8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.243 -2.194 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.823 -2.121 -9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.259 -0.752 -10.291 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.400 -1.643 -11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.606 -0.527 -11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.606 1.239 -11.524 1.00 0.00 H new ATOM 712 N ALA A 43 -11.648 -0.149 -5.838 1.00 0.00 N ATOM 713 CA ALA A 43 -11.882 -0.674 -4.462 1.00 0.00 C ATOM 714 C ALA A 43 -13.334 -1.144 -4.339 1.00 0.00 C ATOM 715 O ALA A 43 -14.213 -0.658 -5.023 1.00 0.00 O ATOM 716 CB ALA A 43 -11.607 0.421 -3.431 1.00 0.00 C ATOM 0 H ALA A 43 -11.555 0.864 -5.909 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.209 -1.511 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.780 0.029 -2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.572 0.751 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.273 1.265 -3.611 1.00 0.00 H new ATOM 722 N GLU A 44 -13.592 -2.090 -3.478 1.00 0.00 N ATOM 723 CA GLU A 44 -14.985 -2.598 -3.319 1.00 0.00 C ATOM 724 C GLU A 44 -15.910 -1.471 -2.848 1.00 0.00 C ATOM 725 O GLU A 44 -17.064 -1.413 -3.224 1.00 0.00 O ATOM 726 CB GLU A 44 -14.997 -3.729 -2.289 1.00 0.00 C ATOM 727 CG GLU A 44 -14.176 -4.908 -2.814 1.00 0.00 C ATOM 728 CD GLU A 44 -14.241 -6.063 -1.812 1.00 0.00 C ATOM 729 OE1 GLU A 44 -14.752 -5.849 -0.725 1.00 0.00 O ATOM 730 OE2 GLU A 44 -13.779 -7.140 -2.149 1.00 0.00 O ATOM 0 H GLU A 44 -12.898 -2.534 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 44 -15.340 -2.969 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.585 -3.378 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.022 -4.045 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.561 -5.230 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.141 -4.604 -2.968 1.00 0.00 H new ATOM 737 N GLY A 45 -15.419 -0.580 -2.026 1.00 0.00 N ATOM 738 CA GLY A 45 -16.279 0.537 -1.530 1.00 0.00 C ATOM 739 C GLY A 45 -15.590 1.878 -1.793 1.00 0.00 C ATOM 740 O GLY A 45 -16.178 2.794 -2.331 1.00 0.00 O ATOM 0 H GLY A 45 -14.461 -0.577 -1.677 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.248 0.511 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.467 0.417 -0.463 1.00 0.00 H new ATOM 744 N TYR A 46 -14.348 1.998 -1.417 1.00 0.00 N ATOM 745 CA TYR A 46 -13.617 3.277 -1.644 1.00 0.00 C ATOM 746 C TYR A 46 -13.634 3.627 -3.135 1.00 0.00 C ATOM 747 O TYR A 46 -13.700 2.761 -3.983 1.00 0.00 O ATOM 748 CB TYR A 46 -12.170 3.121 -1.173 1.00 0.00 C ATOM 749 CG TYR A 46 -11.396 4.377 -1.487 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.738 4.496 -2.715 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.333 5.418 -0.554 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.015 5.653 -3.013 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.609 6.579 -0.852 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.950 6.697 -2.082 1.00 0.00 C ATOM 755 OH TYR A 46 -9.237 7.842 -2.376 1.00 0.00 O ATOM 0 H TYR A 46 -13.806 1.264 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.102 4.076 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.145 2.925 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.708 2.265 -1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.789 3.692 -3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.842 5.326 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.506 5.743 -3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.559 7.383 -0.133 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.295 8.466 -1.623 1.00 0.00 H new ATOM 765 N SER A 47 -13.574 4.892 -3.455 1.00 0.00 N ATOM 766 CA SER A 47 -13.583 5.309 -4.887 1.00 0.00 C ATOM 767 C SER A 47 -12.282 6.053 -5.201 1.00 0.00 C ATOM 768 O SER A 47 -11.792 6.824 -4.401 1.00 0.00 O ATOM 769 CB SER A 47 -14.773 6.234 -5.142 1.00 0.00 C ATOM 770 OG SER A 47 -14.845 6.535 -6.530 1.00 0.00 O ATOM 0 H SER A 47 -13.519 5.658 -2.783 1.00 0.00 H new ATOM 0 HA SER A 47 -13.667 4.429 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.696 5.757 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.665 7.152 -4.564 1.00 0.00 H new ATOM 0 HG SER A 47 -15.608 7.127 -6.697 1.00 0.00 H new ATOM 776 N TYR A 48 -11.721 5.831 -6.359 1.00 0.00 N ATOM 777 CA TYR A 48 -10.451 6.526 -6.717 1.00 0.00 C ATOM 778 C TYR A 48 -10.740 7.661 -7.695 1.00 0.00 C ATOM 779 O TYR A 48 -11.768 7.695 -8.342 1.00 0.00 O ATOM 780 CB TYR A 48 -9.482 5.541 -7.373 1.00 0.00 C ATOM 781 CG TYR A 48 -9.078 4.477 -6.381 1.00 0.00 C ATOM 782 CD1 TYR A 48 -9.859 3.325 -6.230 1.00 0.00 C ATOM 783 CD2 TYR A 48 -7.919 4.643 -5.615 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.479 2.341 -5.310 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.541 3.658 -4.696 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.320 2.506 -4.544 1.00 0.00 C ATOM 787 OH TYR A 48 -7.946 1.535 -3.639 1.00 0.00 O ATOM 0 H TYR A 48 -12.086 5.199 -7.072 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.004 6.927 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.952 5.080 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.599 6.070 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.753 3.196 -6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.316 5.531 -5.733 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.082 1.453 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.647 3.787 -4.104 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.500 0.802 -4.112 1.00 0.00 H new ATOM 797 N THR A 49 -9.834 8.589 -7.807 1.00 0.00 N ATOM 798 CA THR A 49 -10.043 9.727 -8.740 1.00 0.00 C ATOM 799 C THR A 49 -9.859 9.232 -10.172 1.00 0.00 C ATOM 800 O THR A 49 -9.293 8.183 -10.409 1.00 0.00 O ATOM 801 CB THR A 49 -9.012 10.823 -8.458 1.00 0.00 C ATOM 802 OG1 THR A 49 -7.977 10.752 -9.427 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.414 10.619 -7.067 1.00 0.00 C ATOM 0 H THR A 49 -8.955 8.608 -7.290 1.00 0.00 H new ATOM 0 HA THR A 49 -11.047 10.129 -8.604 1.00 0.00 H new ATOM 0 HB THR A 49 -9.497 11.798 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.794 11.649 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.680 11.400 -6.868 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.206 10.667 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.928 9.644 -7.019 1.00 0.00 H new ATOM 811 N ASP A 50 -10.323 9.980 -11.127 1.00 0.00 N ATOM 812 CA ASP A 50 -10.164 9.557 -12.543 1.00 0.00 C ATOM 813 C ASP A 50 -8.679 9.342 -12.838 1.00 0.00 C ATOM 814 O ASP A 50 -8.311 8.557 -13.686 1.00 0.00 O ATOM 815 CB ASP A 50 -10.717 10.643 -13.466 1.00 0.00 C ATOM 816 CG ASP A 50 -12.236 10.730 -13.301 1.00 0.00 C ATOM 817 OD1 ASP A 50 -12.796 9.839 -12.685 1.00 0.00 O ATOM 818 OD2 ASP A 50 -12.813 11.685 -13.795 1.00 0.00 O ATOM 0 H ASP A 50 -10.806 10.868 -10.990 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.710 8.629 -12.712 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.259 11.604 -13.229 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.466 10.417 -14.502 1.00 0.00 H new ATOM 823 N ALA A 51 -7.823 10.048 -12.154 1.00 0.00 N ATOM 824 CA ALA A 51 -6.362 9.898 -12.407 1.00 0.00 C ATOM 825 C ALA A 51 -5.940 8.430 -12.262 1.00 0.00 C ATOM 826 O ALA A 51 -5.343 7.862 -13.155 1.00 0.00 O ATOM 827 CB ALA A 51 -5.588 10.759 -11.405 1.00 0.00 C ATOM 0 H ALA A 51 -8.071 10.723 -11.430 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.141 10.223 -13.424 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.518 10.654 -11.585 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.875 11.804 -11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.819 10.433 -10.391 1.00 0.00 H new ATOM 833 N ASN A 52 -6.240 7.806 -11.155 1.00 0.00 N ATOM 834 CA ASN A 52 -5.842 6.374 -10.984 1.00 0.00 C ATOM 835 C ASN A 52 -6.558 5.505 -12.024 1.00 0.00 C ATOM 836 O ASN A 52 -5.971 4.633 -12.634 1.00 0.00 O ATOM 837 CB ASN A 52 -6.230 5.898 -9.583 1.00 0.00 C ATOM 838 CG ASN A 52 -5.561 4.552 -9.298 1.00 0.00 C ATOM 839 OD1 ASN A 52 -6.302 3.516 -9.019 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 -4.352 4.443 -9.329 1.00 0.00 N flip ATOM 0 H ASN A 52 -6.739 8.219 -10.367 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.764 6.288 -11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.923 6.633 -8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.313 5.801 -9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.772 5.253 -9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.916 3.541 -9.137 1.00 0.00 H new ATOM 847 N ILE A 53 -7.831 5.727 -12.213 1.00 0.00 N ATOM 848 CA ILE A 53 -8.609 4.909 -13.193 1.00 0.00 C ATOM 849 C ILE A 53 -8.144 5.172 -14.632 1.00 0.00 C ATOM 850 O ILE A 53 -7.891 4.254 -15.386 1.00 0.00 O ATOM 851 CB ILE A 53 -10.092 5.263 -13.075 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.566 4.996 -11.645 1.00 0.00 C ATOM 853 CG2 ILE A 53 -10.903 4.406 -14.048 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.015 5.463 -11.491 1.00 0.00 C ATOM 0 H ILE A 53 -8.370 6.444 -11.728 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.447 3.855 -12.966 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.233 6.317 -13.316 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.490 3.933 -11.418 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.927 5.520 -10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -11.960 4.660 -13.963 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.566 4.595 -15.067 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.762 3.352 -13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.352 5.273 -10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.077 6.531 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.649 4.919 -12.191 1.00 0.00 H new ATOM 866 N LYS A 54 -8.049 6.413 -15.029 1.00 0.00 N ATOM 867 CA LYS A 54 -7.623 6.719 -16.424 1.00 0.00 C ATOM 868 C LYS A 54 -6.254 6.108 -16.712 1.00 0.00 C ATOM 869 O LYS A 54 -5.981 5.673 -17.814 1.00 0.00 O ATOM 870 CB LYS A 54 -7.560 8.233 -16.622 1.00 0.00 C ATOM 871 CG LYS A 54 -8.979 8.806 -16.646 1.00 0.00 C ATOM 872 CD LYS A 54 -8.921 10.295 -16.998 1.00 0.00 C ATOM 873 CE LYS A 54 -10.338 10.871 -17.026 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.407 12.066 -16.138 1.00 0.00 N ATOM 0 H LYS A 54 -8.248 7.227 -14.447 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.350 6.289 -17.113 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.985 8.692 -15.818 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.046 8.467 -17.554 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.586 8.272 -17.377 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.455 8.669 -15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.315 10.829 -16.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.443 10.431 -17.968 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.610 11.146 -18.045 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.054 10.118 -16.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.342 12.107 -15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.670 11.999 -15.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.258 12.927 -16.702 1.00 0.00 H new ATOM 888 N LYS A 55 -5.389 6.066 -15.743 1.00 0.00 N ATOM 889 CA LYS A 55 -4.045 5.477 -15.988 1.00 0.00 C ATOM 890 C LYS A 55 -4.219 4.042 -16.484 1.00 0.00 C ATOM 891 O LYS A 55 -3.442 3.551 -17.279 1.00 0.00 O ATOM 892 CB LYS A 55 -3.230 5.481 -14.688 1.00 0.00 C ATOM 893 CG LYS A 55 -1.800 4.992 -14.960 1.00 0.00 C ATOM 894 CD LYS A 55 -0.951 6.137 -15.522 1.00 0.00 C ATOM 895 CE LYS A 55 0.487 5.654 -15.723 1.00 0.00 C ATOM 896 NZ LYS A 55 1.237 6.652 -16.536 1.00 0.00 N ATOM 0 H LYS A 55 -5.551 6.411 -14.797 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.515 6.066 -16.737 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.205 6.487 -14.268 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.708 4.839 -13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.354 4.616 -14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.819 4.162 -15.666 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.366 6.481 -16.469 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.969 6.986 -14.839 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.974 5.516 -14.758 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.490 4.685 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.214 6.324 -16.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.776 6.763 -17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.245 7.567 -16.042 1.00 0.00 H new ATOM 910 N ASN A 56 -5.233 3.366 -16.020 1.00 0.00 N ATOM 911 CA ASN A 56 -5.459 1.963 -16.463 1.00 0.00 C ATOM 912 C ASN A 56 -4.220 1.127 -16.150 1.00 0.00 C ATOM 913 O ASN A 56 -3.699 0.431 -16.998 1.00 0.00 O ATOM 914 CB ASN A 56 -5.726 1.928 -17.968 1.00 0.00 C ATOM 915 CG ASN A 56 -6.280 0.553 -18.351 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.207 -0.431 -17.494 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -6.784 0.372 -19.443 1.00 0.00 N flip ATOM 0 H ASN A 56 -5.915 3.725 -15.352 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.322 1.556 -15.936 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.436 2.708 -18.241 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.806 2.128 -18.517 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.841 1.140 -20.112 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.150 -0.548 -19.690 1.00 0.00 H new ATOM 924 N VAL A 57 -3.749 1.194 -14.935 1.00 0.00 N ATOM 925 CA VAL A 57 -2.546 0.408 -14.552 1.00 0.00 C ATOM 926 C VAL A 57 -2.922 -0.564 -13.436 1.00 0.00 C ATOM 927 O VAL A 57 -3.700 -0.247 -12.558 1.00 0.00 O ATOM 928 CB VAL A 57 -1.450 1.356 -14.062 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.910 2.052 -12.781 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.177 0.555 -13.776 1.00 0.00 C ATOM 0 H VAL A 57 -4.149 1.763 -14.189 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.178 -0.148 -15.414 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.248 2.104 -14.828 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.128 2.727 -12.433 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.818 2.621 -12.982 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.112 1.305 -12.014 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.606 1.228 -13.427 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.382 -0.192 -13.009 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.153 0.058 -14.688 1.00 0.00 H new ATOM 940 N LEU A 58 -2.383 -1.748 -13.469 1.00 0.00 N ATOM 941 CA LEU A 58 -2.714 -2.746 -12.418 1.00 0.00 C ATOM 942 C LEU A 58 -1.782 -2.571 -11.226 1.00 0.00 C ATOM 943 O LEU A 58 -0.590 -2.401 -11.377 1.00 0.00 O ATOM 944 CB LEU A 58 -2.550 -4.156 -12.988 1.00 0.00 C ATOM 945 CG LEU A 58 -2.822 -5.190 -11.892 1.00 0.00 C ATOM 946 CD1 LEU A 58 -4.229 -4.984 -11.334 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.709 -6.596 -12.484 1.00 0.00 C ATOM 0 H LEU A 58 -1.726 -2.069 -14.180 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.744 -2.598 -12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.238 -4.305 -13.820 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.541 -4.285 -13.381 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.094 -5.071 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.422 -5.720 -10.554 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.311 -3.981 -10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.959 -5.103 -12.135 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.902 -7.335 -11.706 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.439 -6.713 -13.285 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.705 -6.743 -12.883 1.00 0.00 H new ATOM 959 N TRP A 59 -2.316 -2.621 -10.037 1.00 0.00 N ATOM 960 CA TRP A 59 -1.459 -2.468 -8.834 1.00 0.00 C ATOM 961 C TRP A 59 -0.823 -3.814 -8.488 1.00 0.00 C ATOM 962 O TRP A 59 -1.476 -4.839 -8.481 1.00 0.00 O ATOM 963 CB TRP A 59 -2.308 -1.991 -7.654 1.00 0.00 C ATOM 964 CG TRP A 59 -2.517 -0.519 -7.744 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.699 0.084 -7.987 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.540 0.542 -7.576 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.511 1.457 -7.988 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.193 1.785 -7.736 1.00 0.00 C ATOM 969 CE3 TRP A 59 -0.164 0.542 -7.305 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.501 2.988 -7.627 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.536 1.750 -7.194 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.131 2.972 -7.354 1.00 0.00 C ATOM 0 H TRP A 59 -3.309 -2.761 -9.849 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.678 -1.735 -9.038 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.269 -2.505 -7.655 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.814 -2.241 -6.715 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.639 -0.421 -8.154 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.252 2.139 -8.154 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.359 -0.395 -7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.020 3.927 -7.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.595 1.740 -6.984 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.414 3.901 -7.266 1.00 0.00 H new ATOM 983 N ASP A 60 0.445 -3.816 -8.190 1.00 0.00 N ATOM 984 CA ASP A 60 1.130 -5.086 -7.832 1.00 0.00 C ATOM 985 C ASP A 60 2.306 -4.768 -6.919 1.00 0.00 C ATOM 986 O ASP A 60 2.590 -3.625 -6.634 1.00 0.00 O ATOM 987 CB ASP A 60 1.627 -5.795 -9.092 1.00 0.00 C ATOM 988 CG ASP A 60 2.539 -4.859 -9.883 1.00 0.00 C ATOM 989 OD1 ASP A 60 2.889 -3.821 -9.352 1.00 0.00 O ATOM 990 OD2 ASP A 60 2.872 -5.197 -11.007 1.00 0.00 O ATOM 0 H ASP A 60 1.039 -2.987 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 60 0.429 -5.746 -7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.167 -6.702 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.781 -6.100 -9.707 1.00 0.00 H new ATOM 995 N GLU A 61 2.985 -5.768 -6.448 1.00 0.00 N ATOM 996 CA GLU A 61 4.132 -5.511 -5.533 1.00 0.00 C ATOM 997 C GLU A 61 5.177 -4.630 -6.225 1.00 0.00 C ATOM 998 O GLU A 61 5.774 -3.767 -5.611 1.00 0.00 O ATOM 999 CB GLU A 61 4.772 -6.838 -5.130 1.00 0.00 C ATOM 1000 CG GLU A 61 3.794 -7.632 -4.262 1.00 0.00 C ATOM 1001 CD GLU A 61 4.455 -8.933 -3.808 1.00 0.00 C ATOM 1002 OE1 GLU A 61 5.429 -9.328 -4.429 1.00 0.00 O ATOM 1003 OE2 GLU A 61 3.982 -9.508 -2.842 1.00 0.00 O ATOM 0 H GLU A 61 2.800 -6.750 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 61 3.766 -4.995 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.035 -7.412 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.697 -6.657 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.498 -7.041 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.886 -7.850 -4.825 1.00 0.00 H new ATOM 1010 N ASN A 62 5.406 -4.832 -7.491 1.00 0.00 N ATOM 1011 CA ASN A 62 6.416 -3.996 -8.203 1.00 0.00 C ATOM 1012 C ASN A 62 5.963 -2.536 -8.201 1.00 0.00 C ATOM 1013 O ASN A 62 6.719 -1.633 -7.897 1.00 0.00 O ATOM 1014 CB ASN A 62 6.542 -4.478 -9.648 1.00 0.00 C ATOM 1015 CG ASN A 62 7.825 -3.918 -10.265 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.724 -3.507 -9.557 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.950 -3.882 -11.563 1.00 0.00 N ATOM 0 H ASN A 62 4.941 -5.536 -8.064 1.00 0.00 H new ATOM 0 HA ASN A 62 7.378 -4.082 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.557 -5.567 -9.679 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.677 -4.155 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.801 -3.509 -11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.196 -4.227 -12.158 1.00 0.00 H new ATOM 1024 N ASN A 63 4.729 -2.304 -8.542 1.00 0.00 N ATOM 1025 CA ASN A 63 4.202 -0.911 -8.570 1.00 0.00 C ATOM 1026 C ASN A 63 4.271 -0.305 -7.167 1.00 0.00 C ATOM 1027 O ASN A 63 4.539 0.867 -6.998 1.00 0.00 O ATOM 1028 CB ASN A 63 2.745 -0.928 -9.041 1.00 0.00 C ATOM 1029 CG ASN A 63 2.665 -1.528 -10.445 1.00 0.00 C ATOM 1030 OD1 ASN A 63 1.662 -2.308 -10.753 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 3.522 -1.288 -11.272 1.00 0.00 N flip ATOM 0 H ASN A 63 4.056 -3.024 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 63 4.803 -0.312 -9.254 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.136 -1.511 -8.350 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.342 0.085 -9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.305 -0.680 -11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.458 -1.695 -12.205 1.00 0.00 H new ATOM 1038 N MET A 64 4.022 -1.096 -6.160 1.00 0.00 N ATOM 1039 CA MET A 64 4.063 -0.568 -4.769 1.00 0.00 C ATOM 1040 C MET A 64 5.458 -0.031 -4.448 1.00 0.00 C ATOM 1041 O MET A 64 5.603 0.973 -3.780 1.00 0.00 O ATOM 1042 CB MET A 64 3.706 -1.690 -3.792 1.00 0.00 C ATOM 1043 CG MET A 64 2.221 -2.022 -3.925 1.00 0.00 C ATOM 1044 SD MET A 64 1.236 -0.610 -3.366 1.00 0.00 S ATOM 1045 CE MET A 64 -0.357 -1.132 -4.049 1.00 0.00 C ATOM 0 H MET A 64 3.792 -2.086 -6.241 1.00 0.00 H new ATOM 0 HA MET A 64 3.344 0.245 -4.674 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.308 -2.574 -4.000 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.932 -1.384 -2.771 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.982 -2.259 -4.962 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.980 -2.905 -3.333 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.845 -0.282 -4.525 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.196 -1.918 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.990 -1.511 -3.247 1.00 0.00 H new ATOM 1055 N SER A 65 6.488 -0.682 -4.915 1.00 0.00 N ATOM 1056 CA SER A 65 7.860 -0.183 -4.622 1.00 0.00 C ATOM 1057 C SER A 65 8.022 1.209 -5.233 1.00 0.00 C ATOM 1058 O SER A 65 8.600 2.097 -4.639 1.00 0.00 O ATOM 1059 CB SER A 65 8.892 -1.133 -5.232 1.00 0.00 C ATOM 1060 OG SER A 65 8.820 -1.057 -6.649 1.00 0.00 O ATOM 0 H SER A 65 6.440 -1.529 -5.481 1.00 0.00 H new ATOM 0 HA SER A 65 8.012 -0.134 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.893 -0.867 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.704 -2.154 -4.901 1.00 0.00 H new ATOM 0 HG SER A 65 8.092 -1.629 -6.971 1.00 0.00 H new ATOM 1066 N GLU A 66 7.504 1.405 -6.412 1.00 0.00 N ATOM 1067 CA GLU A 66 7.609 2.735 -7.065 1.00 0.00 C ATOM 1068 C GLU A 66 6.673 3.727 -6.367 1.00 0.00 C ATOM 1069 O GLU A 66 6.941 4.909 -6.297 1.00 0.00 O ATOM 1070 CB GLU A 66 7.209 2.605 -8.535 1.00 0.00 C ATOM 1071 CG GLU A 66 8.219 1.714 -9.262 1.00 0.00 C ATOM 1072 CD GLU A 66 7.855 1.635 -10.745 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.788 2.107 -11.100 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.650 1.102 -11.502 1.00 0.00 O ATOM 0 H GLU A 66 7.010 0.696 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 66 8.635 3.097 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.209 2.179 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.174 3.589 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.225 2.116 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.221 0.716 -8.824 1.00 0.00 H new ATOM 1081 N TYR A 67 5.568 3.247 -5.867 1.00 0.00 N ATOM 1082 CA TYR A 67 4.591 4.148 -5.188 1.00 0.00 C ATOM 1083 C TYR A 67 5.247 4.853 -3.996 1.00 0.00 C ATOM 1084 O TYR A 67 5.095 6.044 -3.815 1.00 0.00 O ATOM 1085 CB TYR A 67 3.398 3.303 -4.715 1.00 0.00 C ATOM 1086 CG TYR A 67 2.459 4.108 -3.838 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.059 5.401 -4.204 1.00 0.00 C ATOM 1088 CD2 TYR A 67 1.980 3.543 -2.649 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.186 6.124 -3.379 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.109 4.265 -1.828 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.712 5.556 -2.192 1.00 0.00 C ATOM 1092 OH TYR A 67 -0.147 6.269 -1.380 1.00 0.00 O ATOM 0 H TYR A 67 5.297 2.264 -5.899 1.00 0.00 H new ATOM 0 HA TYR A 67 4.252 4.915 -5.885 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.854 2.924 -5.580 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.761 2.437 -4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.423 5.840 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.285 2.546 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.879 7.121 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.742 3.826 -0.912 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.419 5.711 -0.621 1.00 0.00 H new ATOM 1102 N LEU A 68 5.969 4.139 -3.180 1.00 0.00 N ATOM 1103 CA LEU A 68 6.617 4.791 -2.009 1.00 0.00 C ATOM 1104 C LEU A 68 7.856 5.574 -2.452 1.00 0.00 C ATOM 1105 O LEU A 68 8.117 6.659 -1.973 1.00 0.00 O ATOM 1106 CB LEU A 68 7.013 3.724 -0.989 1.00 0.00 C ATOM 1107 CG LEU A 68 5.785 3.340 -0.163 1.00 0.00 C ATOM 1108 CD1 LEU A 68 4.739 2.700 -1.072 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.184 2.346 0.926 1.00 0.00 C ATOM 0 H LEU A 68 6.138 3.137 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 68 5.912 5.487 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.413 2.847 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.801 4.101 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 68 5.370 4.236 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.864 2.426 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.448 3.409 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.158 1.807 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.305 2.076 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.603 1.451 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.929 2.801 1.579 1.00 0.00 H new ATOM 1121 N THR A 69 8.624 5.032 -3.354 1.00 0.00 N ATOM 1122 CA THR A 69 9.849 5.749 -3.812 1.00 0.00 C ATOM 1123 C THR A 69 9.462 6.954 -4.676 1.00 0.00 C ATOM 1124 O THR A 69 10.053 8.010 -4.580 1.00 0.00 O ATOM 1125 CB THR A 69 10.725 4.798 -4.630 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.049 4.449 -5.829 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.011 3.535 -3.817 1.00 0.00 C ATOM 0 H THR A 69 8.459 4.127 -3.794 1.00 0.00 H new ATOM 0 HA THR A 69 10.402 6.097 -2.940 1.00 0.00 H new ATOM 0 HB THR A 69 11.667 5.290 -4.873 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.609 3.841 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.635 2.859 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.531 3.804 -2.897 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.072 3.040 -3.571 1.00 0.00 H new ATOM 1135 N ASN A 70 8.478 6.805 -5.522 1.00 0.00 N ATOM 1136 CA ASN A 70 8.067 7.948 -6.389 1.00 0.00 C ATOM 1137 C ASN A 70 6.541 8.008 -6.478 1.00 0.00 C ATOM 1138 O ASN A 70 5.900 7.080 -6.931 1.00 0.00 O ATOM 1139 CB ASN A 70 8.651 7.760 -7.790 1.00 0.00 C ATOM 1140 CG ASN A 70 10.176 7.661 -7.700 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.827 8.501 -6.942 1.00 0.00 O flip ATOM 1142 ND2 ASN A 70 10.779 6.811 -8.323 1.00 0.00 N flip ATOM 0 H ASN A 70 7.943 5.946 -5.650 1.00 0.00 H new ATOM 0 HA ASN A 70 8.439 8.878 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.244 6.858 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.368 8.597 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.270 6.155 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.795 6.753 -8.254 1.00 0.00 H new ATOM 1149 N HIS A 71 5.952 9.095 -6.056 1.00 0.00 N ATOM 1150 CA HIS A 71 4.471 9.209 -6.123 1.00 0.00 C ATOM 1151 C HIS A 71 4.077 10.674 -6.329 1.00 0.00 C ATOM 1152 O HIS A 71 4.606 11.562 -5.692 1.00 0.00 O ATOM 1153 CB HIS A 71 3.860 8.693 -4.821 1.00 0.00 C ATOM 1154 CG HIS A 71 4.711 9.114 -3.652 1.00 0.00 C ATOM 1155 ND1 HIS A 71 6.038 8.912 -3.357 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.196 9.845 -2.590 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.338 9.508 -2.138 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 5.197 10.056 -1.717 1.00 0.00 N flip ATOM 0 H HIS A 71 6.434 9.906 -5.669 1.00 0.00 H new ATOM 0 HA HIS A 71 4.100 8.615 -6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.849 9.083 -4.704 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.781 7.606 -4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.176 10.183 -2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.294 9.524 -1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.096 10.571 -0.842 1.00 0.00 H new ATOM 1167 N ALA A 72 3.147 10.929 -7.211 1.00 0.00 N ATOM 1168 CA ALA A 72 2.711 12.333 -7.458 1.00 0.00 C ATOM 1169 C ALA A 72 1.975 12.408 -8.801 1.00 0.00 C ATOM 1170 O ALA A 72 0.830 12.029 -8.908 1.00 0.00 O ATOM 1171 CB ALA A 72 3.930 13.260 -7.483 1.00 0.00 C ATOM 0 H ALA A 72 2.670 10.223 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 72 2.041 12.650 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.604 14.284 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.447 13.207 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.607 12.949 -8.278 1.00 0.00 H new ATOM 1177 N LYS A 73 2.619 12.895 -9.826 1.00 0.00 N ATOM 1178 CA LYS A 73 1.943 12.992 -11.154 1.00 0.00 C ATOM 1179 C LYS A 73 1.497 11.600 -11.611 1.00 0.00 C ATOM 1180 O LYS A 73 0.473 11.440 -12.246 1.00 0.00 O ATOM 1181 CB LYS A 73 2.917 13.575 -12.180 1.00 0.00 C ATOM 1182 CG LYS A 73 2.187 13.808 -13.504 1.00 0.00 C ATOM 1183 CD LYS A 73 3.175 14.333 -14.547 1.00 0.00 C ATOM 1184 CE LYS A 73 2.417 14.722 -15.818 1.00 0.00 C ATOM 1185 NZ LYS A 73 2.827 13.826 -16.935 1.00 0.00 N ATOM 0 H LYS A 73 3.582 13.230 -9.803 1.00 0.00 H new ATOM 0 HA LYS A 73 1.071 13.640 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.331 14.513 -11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.755 12.894 -12.330 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.736 12.878 -13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.376 14.523 -13.363 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.712 15.196 -14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.920 13.570 -14.774 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.343 14.645 -15.651 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.626 15.760 -16.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.312 14.090 -17.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.850 13.921 -17.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.606 12.840 -16.688 1.00 0.00 H new ATOM 1199 N TYR A 74 2.265 10.595 -11.298 1.00 0.00 N ATOM 1200 CA TYR A 74 1.907 9.207 -11.714 1.00 0.00 C ATOM 1201 C TYR A 74 0.505 8.838 -11.215 1.00 0.00 C ATOM 1202 O TYR A 74 -0.282 8.253 -11.934 1.00 0.00 O ATOM 1203 CB TYR A 74 2.936 8.243 -11.122 1.00 0.00 C ATOM 1204 CG TYR A 74 2.337 6.865 -10.993 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.624 6.301 -12.055 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.503 6.152 -9.802 1.00 0.00 C ATOM 1207 CE1 TYR A 74 1.076 5.018 -11.923 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.957 4.872 -9.669 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.242 4.304 -10.730 1.00 0.00 C ATOM 1210 OH TYR A 74 0.703 3.041 -10.601 1.00 0.00 O ATOM 0 H TYR A 74 3.133 10.674 -10.768 1.00 0.00 H new ATOM 0 HA TYR A 74 1.909 9.142 -12.802 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.820 8.206 -11.758 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.261 8.600 -10.145 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.496 6.853 -12.975 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.054 6.591 -8.983 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.525 4.580 -12.742 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.087 4.322 -8.749 1.00 0.00 H new ATOM 0 HH TYR A 74 0.432 2.895 -9.671 1.00 0.00 H new ATOM 1220 N ILE A 75 0.188 9.166 -9.993 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.161 8.828 -9.443 1.00 0.00 C ATOM 1222 C ILE A 75 -1.867 10.111 -8.999 1.00 0.00 C ATOM 1223 O ILE A 75 -1.243 11.135 -8.823 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.979 7.906 -8.236 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.420 8.111 -7.662 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.142 6.446 -8.672 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.542 7.358 -6.340 1.00 0.00 C ATOM 0 H ILE A 75 0.806 9.656 -9.346 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.761 8.333 -10.206 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.729 8.140 -7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.170 7.753 -8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.609 9.173 -7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.012 5.792 -7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.138 6.300 -9.091 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.393 6.206 -9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.541 7.504 -5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.199 7.737 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.371 6.295 -6.510 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.159 10.065 -8.812 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.942 11.244 -8.373 1.00 0.00 C ATOM 1241 C PRO A 76 -3.172 12.092 -7.356 1.00 0.00 C ATOM 1242 O PRO A 76 -2.286 11.611 -6.677 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.199 10.638 -7.728 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.167 9.160 -8.006 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.027 8.900 -8.993 1.00 0.00 C ATOM 0 HA PRO A 76 -4.167 11.914 -9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.212 10.828 -6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.101 11.089 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.010 8.600 -7.084 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.118 8.828 -8.423 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.505 7.970 -8.770 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.391 8.823 -10.018 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.497 13.351 -7.249 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.779 14.230 -6.280 1.00 0.00 C ATOM 1255 C GLY A 77 -3.071 13.777 -4.846 1.00 0.00 C ATOM 1256 O GLY A 77 -2.911 14.528 -3.904 1.00 0.00 O ATOM 0 H GLY A 77 -4.229 13.810 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.706 14.195 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.092 15.265 -6.414 1.00 0.00 H new ATOM 1260 N THR A 78 -3.504 12.558 -4.672 1.00 0.00 N ATOM 1261 CA THR A 78 -3.809 12.063 -3.300 1.00 0.00 C ATOM 1262 C THR A 78 -2.595 12.260 -2.389 1.00 0.00 C ATOM 1263 O THR A 78 -1.484 11.907 -2.732 1.00 0.00 O ATOM 1264 CB THR A 78 -4.142 10.571 -3.366 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.785 10.180 -2.160 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.850 9.767 -3.542 1.00 0.00 C ATOM 0 H THR A 78 -3.660 11.883 -5.421 1.00 0.00 H new ATOM 0 HA THR A 78 -4.656 12.621 -2.900 1.00 0.00 H new ATOM 0 HB THR A 78 -4.804 10.380 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.112 9.889 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.087 8.704 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.356 10.070 -4.465 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.187 9.954 -2.697 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.804 12.807 -1.222 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.672 13.010 -0.276 1.00 0.00 C ATOM 1276 C LYS A 79 -1.767 11.960 0.833 1.00 0.00 C ATOM 1277 O LYS A 79 -2.836 11.691 1.345 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.756 14.411 0.333 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.581 15.458 -0.769 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.548 16.855 -0.146 1.00 0.00 C ATOM 1281 CE LYS A 79 -1.494 17.907 -1.255 1.00 0.00 C ATOM 1282 NZ LYS A 79 -1.810 19.247 -0.684 1.00 0.00 N ATOM 0 H LYS A 79 -3.713 13.123 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.723 12.909 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.717 14.547 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.985 14.535 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.659 15.272 -1.319 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.399 15.387 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.431 17.009 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.680 16.954 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.505 17.919 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.206 17.658 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.773 19.963 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.763 19.231 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.114 19.483 0.052 1.00 0.00 H new ATOM 1296 N MET A 80 -0.666 11.360 1.201 1.00 0.00 N ATOM 1297 CA MET A 80 -0.705 10.318 2.270 1.00 0.00 C ATOM 1298 C MET A 80 0.145 10.768 3.461 1.00 0.00 C ATOM 1299 O MET A 80 1.273 11.192 3.309 1.00 0.00 O ATOM 1300 CB MET A 80 -0.159 9.002 1.704 1.00 0.00 C ATOM 1301 CG MET A 80 -0.545 7.825 2.607 1.00 0.00 C ATOM 1302 SD MET A 80 -0.744 6.341 1.591 1.00 0.00 S ATOM 1303 CE MET A 80 0.994 5.842 1.565 1.00 0.00 C ATOM 0 H MET A 80 0.257 11.545 0.809 1.00 0.00 H new ATOM 0 HA MET A 80 -1.732 10.172 2.606 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.552 8.841 0.700 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.926 9.060 1.617 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.223 7.663 3.363 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.472 8.045 3.137 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.134 5.051 0.829 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.614 6.698 1.300 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.282 5.476 2.550 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.396 10.681 4.647 1.00 0.00 N ATOM 1314 CA ALA A 81 0.365 11.104 5.857 1.00 0.00 C ATOM 1315 C ALA A 81 1.442 10.067 6.193 1.00 0.00 C ATOM 1316 O ALA A 81 2.315 10.308 7.002 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.598 11.237 7.038 1.00 0.00 C ATOM 0 H ALA A 81 -1.337 10.333 4.830 1.00 0.00 H new ATOM 0 HA ALA A 81 0.845 12.063 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.045 11.546 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.358 11.983 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.078 10.277 7.226 1.00 0.00 H new ATOM 1323 N PHE A 82 1.383 8.912 5.590 1.00 0.00 N ATOM 1324 CA PHE A 82 2.399 7.863 5.892 1.00 0.00 C ATOM 1325 C PHE A 82 3.811 8.422 5.707 1.00 0.00 C ATOM 1326 O PHE A 82 4.690 8.184 6.511 1.00 0.00 O ATOM 1327 CB PHE A 82 2.206 6.674 4.951 1.00 0.00 C ATOM 1328 CG PHE A 82 3.220 5.606 5.285 1.00 0.00 C ATOM 1329 CD1 PHE A 82 2.985 4.725 6.346 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.400 5.503 4.536 1.00 0.00 C ATOM 1331 CE1 PHE A 82 3.929 3.739 6.659 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.343 4.516 4.849 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.107 3.636 5.911 1.00 0.00 C ATOM 0 H PHE A 82 0.677 8.649 4.902 1.00 0.00 H new ATOM 0 HA PHE A 82 2.272 7.543 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.196 6.277 5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.323 6.992 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.076 4.805 6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.582 6.184 3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.748 3.058 7.478 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.252 4.434 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.835 2.876 6.154 1.00 0.00 H new ATOM 1343 N GLY A 83 4.042 9.154 4.655 1.00 0.00 N ATOM 1344 CA GLY A 83 5.408 9.709 4.430 1.00 0.00 C ATOM 1345 C GLY A 83 6.378 8.555 4.168 1.00 0.00 C ATOM 1346 O GLY A 83 6.209 7.466 4.679 1.00 0.00 O ATOM 0 H GLY A 83 3.350 9.392 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.401 10.395 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.730 10.281 5.300 1.00 0.00 H new ATOM 1350 N GLY A 84 7.388 8.779 3.378 1.00 0.00 N ATOM 1351 CA GLY A 84 8.360 7.687 3.083 1.00 0.00 C ATOM 1352 C GLY A 84 8.953 7.150 4.389 1.00 0.00 C ATOM 1353 O GLY A 84 8.994 7.832 5.392 1.00 0.00 O ATOM 0 H GLY A 84 7.585 9.670 2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.863 6.882 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.156 8.061 2.439 1.00 0.00 H new ATOM 1357 N LEU A 85 9.406 5.925 4.379 1.00 0.00 N ATOM 1358 CA LEU A 85 9.994 5.331 5.615 1.00 0.00 C ATOM 1359 C LEU A 85 11.476 5.683 5.722 1.00 0.00 C ATOM 1360 O LEU A 85 12.228 5.548 4.777 1.00 0.00 O ATOM 1361 CB LEU A 85 9.857 3.810 5.562 1.00 0.00 C ATOM 1362 CG LEU A 85 8.560 3.388 6.244 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.178 1.982 5.782 1.00 0.00 C ATOM 1364 CD2 LEU A 85 8.769 3.386 7.757 1.00 0.00 C ATOM 0 H LEU A 85 9.394 5.309 3.566 1.00 0.00 H new ATOM 0 HA LEU A 85 9.463 5.731 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.862 3.470 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.708 3.341 6.055 1.00 0.00 H new ATOM 0 HG LEU A 85 7.763 4.084 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.251 1.678 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.038 1.980 4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.972 1.284 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.845 3.085 8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.563 2.685 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.048 4.387 8.087 1.00 0.00 H new ATOM 1376 N LYS A 86 11.908 6.112 6.877 1.00 0.00 N ATOM 1377 CA LYS A 86 13.346 6.447 7.052 1.00 0.00 C ATOM 1378 C LYS A 86 14.169 5.181 6.805 1.00 0.00 C ATOM 1379 O LYS A 86 15.260 5.229 6.271 1.00 0.00 O ATOM 1380 CB LYS A 86 13.588 6.943 8.480 1.00 0.00 C ATOM 1381 CG LYS A 86 12.660 8.122 8.792 1.00 0.00 C ATOM 1382 CD LYS A 86 13.010 9.318 7.901 1.00 0.00 C ATOM 1383 CE LYS A 86 12.361 10.581 8.469 1.00 0.00 C ATOM 1384 NZ LYS A 86 12.138 11.563 7.370 1.00 0.00 N ATOM 0 H LYS A 86 11.327 6.244 7.705 1.00 0.00 H new ATOM 0 HA LYS A 86 13.637 7.229 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.412 6.134 9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.628 7.248 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.622 7.830 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.754 8.401 9.842 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.092 9.443 7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.661 9.142 6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.413 10.332 8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.000 11.017 9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.697 12.422 7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.049 11.808 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.512 11.145 6.652 1.00 0.00 H new ATOM 1398 N LYS A 87 13.646 4.045 7.187 1.00 0.00 N ATOM 1399 CA LYS A 87 14.387 2.771 6.972 1.00 0.00 C ATOM 1400 C LYS A 87 13.819 2.057 5.743 1.00 0.00 C ATOM 1401 O LYS A 87 12.723 1.534 5.765 1.00 0.00 O ATOM 1402 CB LYS A 87 14.229 1.874 8.202 1.00 0.00 C ATOM 1403 CG LYS A 87 14.874 2.548 9.414 1.00 0.00 C ATOM 1404 CD LYS A 87 14.819 1.601 10.614 1.00 0.00 C ATOM 1405 CE LYS A 87 15.351 2.319 11.856 1.00 0.00 C ATOM 1406 NZ LYS A 87 15.979 3.609 11.453 1.00 0.00 N ATOM 0 H LYS A 87 12.737 3.946 7.639 1.00 0.00 H new ATOM 0 HA LYS A 87 15.444 2.985 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.173 1.688 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.695 0.906 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.908 2.809 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.354 3.477 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.794 1.270 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.413 0.709 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.539 2.502 12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.081 1.691 12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.430 4.049 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.696 3.432 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.250 4.247 11.076 1.00 0.00 H new ATOM 1420 N GLU A 88 14.559 2.039 4.672 1.00 0.00 N ATOM 1421 CA GLU A 88 14.075 1.369 3.431 1.00 0.00 C ATOM 1422 C GLU A 88 13.900 -0.133 3.673 1.00 0.00 C ATOM 1423 O GLU A 88 13.008 -0.755 3.131 1.00 0.00 O ATOM 1424 CB GLU A 88 15.093 1.585 2.310 1.00 0.00 C ATOM 1425 CG GLU A 88 14.540 1.019 1.001 1.00 0.00 C ATOM 1426 CD GLU A 88 15.598 1.144 -0.097 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.679 1.624 0.200 1.00 0.00 O ATOM 1428 OE2 GLU A 88 15.307 0.759 -1.218 1.00 0.00 O ATOM 0 H GLU A 88 15.485 2.462 4.601 1.00 0.00 H new ATOM 0 HA GLU A 88 13.113 1.797 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.306 2.648 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.035 1.096 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.260 -0.026 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.637 1.557 0.713 1.00 0.00 H new ATOM 1435 N LYS A 89 14.745 -0.728 4.472 1.00 0.00 N ATOM 1436 CA LYS A 89 14.619 -2.189 4.726 1.00 0.00 C ATOM 1437 C LYS A 89 13.234 -2.494 5.298 1.00 0.00 C ATOM 1438 O LYS A 89 12.576 -3.435 4.895 1.00 0.00 O ATOM 1439 CB LYS A 89 15.692 -2.617 5.727 1.00 0.00 C ATOM 1440 CG LYS A 89 17.077 -2.412 5.109 1.00 0.00 C ATOM 1441 CD LYS A 89 18.146 -2.947 6.064 1.00 0.00 C ATOM 1442 CE LYS A 89 19.534 -2.632 5.503 1.00 0.00 C ATOM 1443 NZ LYS A 89 19.628 -3.128 4.100 1.00 0.00 N ATOM 0 H LYS A 89 15.514 -0.266 4.957 1.00 0.00 H new ATOM 0 HA LYS A 89 14.749 -2.736 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.602 -2.035 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.554 -3.664 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 89 17.139 -2.928 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.246 -1.353 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.029 -2.495 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 89 18.029 -4.023 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.715 -1.557 5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.302 -3.102 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.628 -3.213 3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.170 -4.059 4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.152 -2.458 3.462 1.00 0.00 H new ATOM 1457 N ASP A 90 12.781 -1.701 6.226 1.00 0.00 N ATOM 1458 CA ASP A 90 11.437 -1.937 6.815 1.00 0.00 C ATOM 1459 C ASP A 90 10.378 -1.788 5.723 1.00 0.00 C ATOM 1460 O ASP A 90 9.393 -2.498 5.693 1.00 0.00 O ATOM 1461 CB ASP A 90 11.185 -0.909 7.918 1.00 0.00 C ATOM 1462 CG ASP A 90 12.146 -1.158 9.081 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.766 -2.209 9.096 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.246 -0.296 9.937 1.00 0.00 O ATOM 0 H ASP A 90 13.285 -0.898 6.602 1.00 0.00 H new ATOM 0 HA ASP A 90 11.387 -2.941 7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.324 0.099 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.154 -0.978 8.264 1.00 0.00 H new ATOM 1469 N ARG A 91 10.577 -0.861 4.828 1.00 0.00 N ATOM 1470 CA ARG A 91 9.590 -0.646 3.733 1.00 0.00 C ATOM 1471 C ARG A 91 9.399 -1.935 2.933 1.00 0.00 C ATOM 1472 O ARG A 91 8.295 -2.292 2.570 1.00 0.00 O ATOM 1473 CB ARG A 91 10.109 0.453 2.805 1.00 0.00 C ATOM 1474 CG ARG A 91 9.086 0.719 1.703 1.00 0.00 C ATOM 1475 CD ARG A 91 9.599 1.840 0.798 1.00 0.00 C ATOM 1476 NE ARG A 91 10.783 1.358 0.032 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.492 2.199 -0.670 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.166 3.462 -0.700 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.529 1.777 -1.341 1.00 0.00 N ATOM 0 H ARG A 91 11.386 -0.240 4.808 1.00 0.00 H new ATOM 0 HA ARG A 91 8.633 -0.353 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.293 1.365 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.061 0.153 2.367 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.918 -0.187 1.120 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.128 0.999 2.140 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.813 2.157 0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.869 2.710 1.396 1.00 0.00 H new ATOM 0 HE ARG A 91 11.039 0.371 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.357 3.792 -0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.721 4.119 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.785 0.790 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.083 2.434 -1.890 1.00 0.00 H new ATOM 1493 N ASN A 92 10.461 -2.631 2.645 1.00 0.00 N ATOM 1494 CA ASN A 92 10.336 -3.888 1.861 1.00 0.00 C ATOM 1495 C ASN A 92 9.457 -4.887 2.614 1.00 0.00 C ATOM 1496 O ASN A 92 8.637 -5.571 2.034 1.00 0.00 O ATOM 1497 CB ASN A 92 11.726 -4.488 1.651 1.00 0.00 C ATOM 1498 CG ASN A 92 12.568 -3.543 0.791 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.039 -2.671 0.132 1.00 0.00 O ATOM 1500 ND2 ASN A 92 13.865 -3.681 0.770 1.00 0.00 N ATOM 0 H ASN A 92 11.412 -2.383 2.919 1.00 0.00 H new ATOM 0 HA ASN A 92 9.878 -3.669 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.212 -4.651 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.644 -5.461 1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.435 -3.056 0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.309 -4.414 1.324 1.00 0.00 H new ATOM 1507 N ASP A 93 9.622 -4.980 3.902 1.00 0.00 N ATOM 1508 CA ASP A 93 8.800 -5.937 4.688 1.00 0.00 C ATOM 1509 C ASP A 93 7.315 -5.600 4.539 1.00 0.00 C ATOM 1510 O ASP A 93 6.473 -6.473 4.476 1.00 0.00 O ATOM 1511 CB ASP A 93 9.200 -5.847 6.161 1.00 0.00 C ATOM 1512 CG ASP A 93 10.627 -6.369 6.337 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.137 -6.967 5.405 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.185 -6.159 7.402 1.00 0.00 O ATOM 0 H ASP A 93 10.291 -4.434 4.445 1.00 0.00 H new ATOM 0 HA ASP A 93 8.971 -6.948 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.135 -4.814 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.511 -6.430 6.772 1.00 0.00 H new ATOM 1519 N LEU A 94 6.985 -4.339 4.496 1.00 0.00 N ATOM 1520 CA LEU A 94 5.555 -3.945 4.368 1.00 0.00 C ATOM 1521 C LEU A 94 4.967 -4.435 3.043 1.00 0.00 C ATOM 1522 O LEU A 94 3.864 -4.937 3.002 1.00 0.00 O ATOM 1523 CB LEU A 94 5.449 -2.422 4.425 1.00 0.00 C ATOM 1524 CG LEU A 94 5.876 -1.923 5.805 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.808 -0.396 5.834 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.931 -2.488 6.865 1.00 0.00 C ATOM 0 H LEU A 94 7.646 -3.563 4.544 1.00 0.00 H new ATOM 0 HA LEU A 94 4.996 -4.399 5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.080 -1.976 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.425 -2.112 4.217 1.00 0.00 H new ATOM 0 HG LEU A 94 6.895 -2.250 6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.112 -0.037 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.476 0.012 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.787 -0.073 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.235 -2.133 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.913 -2.158 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.970 -3.577 6.844 1.00 0.00 H new ATOM 1538 N ILE A 95 5.677 -4.283 1.958 1.00 0.00 N ATOM 1539 CA ILE A 95 5.129 -4.726 0.650 1.00 0.00 C ATOM 1540 C ILE A 95 4.718 -6.195 0.731 1.00 0.00 C ATOM 1541 O ILE A 95 3.641 -6.573 0.314 1.00 0.00 O ATOM 1542 CB ILE A 95 6.195 -4.548 -0.428 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.630 -3.081 -0.476 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.609 -4.942 -1.778 1.00 0.00 C ATOM 1545 CD1 ILE A 95 7.788 -2.924 -1.463 1.00 0.00 C ATOM 0 H ILE A 95 6.610 -3.872 1.923 1.00 0.00 H new ATOM 0 HA ILE A 95 4.254 -4.126 0.401 1.00 0.00 H new ATOM 0 HB ILE A 95 7.056 -5.176 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.793 -2.452 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.936 -2.749 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.365 -4.817 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.290 -5.984 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.752 -4.307 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.098 -1.880 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.627 -3.541 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.466 -3.240 -2.455 1.00 0.00 H new ATOM 1557 N THR A 96 5.564 -7.026 1.266 1.00 0.00 N ATOM 1558 CA THR A 96 5.213 -8.469 1.375 1.00 0.00 C ATOM 1559 C THR A 96 3.931 -8.615 2.200 1.00 0.00 C ATOM 1560 O THR A 96 3.068 -9.417 1.897 1.00 0.00 O ATOM 1561 CB THR A 96 6.354 -9.218 2.070 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.584 -8.890 1.443 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.116 -10.725 1.967 1.00 0.00 C ATOM 0 H THR A 96 6.481 -6.771 1.632 1.00 0.00 H new ATOM 0 HA THR A 96 5.058 -8.886 0.380 1.00 0.00 H new ATOM 0 HB THR A 96 6.391 -8.929 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.238 -8.627 2.124 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.929 -11.256 2.462 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.171 -10.978 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.078 -11.016 0.917 1.00 0.00 H new ATOM 1571 N TYR A 97 3.805 -7.845 3.247 1.00 0.00 N ATOM 1572 CA TYR A 97 2.588 -7.936 4.101 1.00 0.00 C ATOM 1573 C TYR A 97 1.340 -7.586 3.285 1.00 0.00 C ATOM 1574 O TYR A 97 0.301 -8.193 3.445 1.00 0.00 O ATOM 1575 CB TYR A 97 2.721 -6.976 5.286 1.00 0.00 C ATOM 1576 CG TYR A 97 1.524 -7.128 6.192 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.486 -8.165 7.131 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.451 -6.235 6.090 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.374 -8.308 7.970 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.661 -6.378 6.931 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.699 -7.414 7.871 1.00 0.00 C ATOM 1582 OH TYR A 97 -1.793 -7.556 8.699 1.00 0.00 O ATOM 0 H TYR A 97 4.494 -7.156 3.548 1.00 0.00 H new ATOM 0 HA TYR A 97 2.489 -8.957 4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.637 -7.187 5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.793 -5.948 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.314 -8.854 7.209 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.480 -5.436 5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.344 -9.109 8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.489 -5.689 6.854 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.447 -6.853 8.501 1.00 0.00 H new ATOM 1592 N LEU A 98 1.415 -6.613 2.417 1.00 0.00 N ATOM 1593 CA LEU A 98 0.212 -6.253 1.618 1.00 0.00 C ATOM 1594 C LEU A 98 -0.260 -7.479 0.840 1.00 0.00 C ATOM 1595 O LEU A 98 -1.443 -7.732 0.722 1.00 0.00 O ATOM 1596 CB LEU A 98 0.554 -5.126 0.641 1.00 0.00 C ATOM 1597 CG LEU A 98 1.151 -3.936 1.400 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.266 -2.734 0.462 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.254 -3.571 2.586 1.00 0.00 C ATOM 0 H LEU A 98 2.249 -6.057 2.229 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.579 -5.915 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.263 -5.484 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.343 -4.813 0.106 1.00 0.00 H new ATOM 0 HG LEU A 98 2.140 -4.209 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.691 -1.889 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.912 -2.988 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.277 -2.467 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.685 -2.724 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.738 -3.304 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.176 -4.424 3.260 1.00 0.00 H new ATOM 1611 N LYS A 99 0.651 -8.253 0.322 1.00 0.00 N ATOM 1612 CA LYS A 99 0.241 -9.470 -0.431 1.00 0.00 C ATOM 1613 C LYS A 99 -0.591 -10.361 0.490 1.00 0.00 C ATOM 1614 O LYS A 99 -1.553 -10.975 0.074 1.00 0.00 O ATOM 1615 CB LYS A 99 1.481 -10.238 -0.894 1.00 0.00 C ATOM 1616 CG LYS A 99 1.042 -11.453 -1.716 1.00 0.00 C ATOM 1617 CD LYS A 99 2.274 -12.206 -2.225 1.00 0.00 C ATOM 1618 CE LYS A 99 3.033 -12.805 -1.041 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.850 -13.960 -1.508 1.00 0.00 N ATOM 0 H LYS A 99 1.657 -8.097 0.387 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.345 -9.180 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.122 -9.591 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.067 -10.559 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.427 -12.114 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.427 -11.132 -2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.972 -12.995 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.923 -11.529 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.676 -12.050 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.332 -13.129 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.367 -14.368 -0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.226 -14.682 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.529 -13.637 -2.227 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.226 -10.438 1.742 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.997 -11.291 2.688 1.00 0.00 C ATOM 1635 C LYS A 100 -2.456 -10.831 2.724 1.00 0.00 C ATOM 1636 O LYS A 100 -3.368 -11.632 2.736 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.378 -11.192 4.089 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.214 -11.985 5.103 1.00 0.00 C ATOM 1639 CD LYS A 100 -1.169 -13.486 4.771 1.00 0.00 C ATOM 1640 CE LYS A 100 -2.507 -13.953 4.175 1.00 0.00 C ATOM 1641 NZ LYS A 100 -2.644 -15.425 4.371 1.00 0.00 N ATOM 0 H LYS A 100 0.571 -9.948 2.148 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.961 -12.328 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.642 -11.576 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.320 -10.147 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.833 -11.816 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.245 -11.633 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.363 -13.683 4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.949 -14.056 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.335 -13.431 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.551 -13.710 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.548 -15.746 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.860 -15.913 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.620 -15.644 5.387 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.690 -9.548 2.741 1.00 0.00 N ATOM 1656 CA ALA A 101 -4.095 -9.057 2.775 1.00 0.00 C ATOM 1657 C ALA A 101 -4.821 -9.521 1.511 1.00 0.00 C ATOM 1658 O ALA A 101 -5.977 -9.889 1.546 1.00 0.00 O ATOM 1659 CB ALA A 101 -4.102 -7.528 2.840 1.00 0.00 C ATOM 0 H ALA A 101 -1.973 -8.822 2.733 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.601 -9.456 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.131 -7.170 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.582 -7.200 3.740 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.598 -7.124 1.962 1.00 0.00 H new ATOM 1665 N THR A 102 -4.149 -9.511 0.391 1.00 0.00 N ATOM 1666 CA THR A 102 -4.804 -9.954 -0.873 1.00 0.00 C ATOM 1667 C THR A 102 -4.387 -11.391 -1.190 1.00 0.00 C ATOM 1668 O THR A 102 -4.738 -11.938 -2.216 1.00 0.00 O ATOM 1669 CB THR A 102 -4.376 -9.031 -2.018 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.431 -8.934 -2.964 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.129 -9.599 -2.698 1.00 0.00 C ATOM 0 H THR A 102 -3.177 -9.216 0.297 1.00 0.00 H new ATOM 0 HA THR A 102 -5.887 -9.911 -0.756 1.00 0.00 H new ATOM 0 HB THR A 102 -4.150 -8.041 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.740 -9.833 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.827 -8.940 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.320 -9.673 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.351 -10.589 -3.096 1.00 0.00 H new ATOM 1679 N GLU A 103 -3.640 -12.009 -0.315 1.00 0.00 N ATOM 1680 CA GLU A 103 -3.202 -13.410 -0.567 1.00 0.00 C ATOM 1681 C GLU A 103 -2.620 -13.517 -1.979 1.00 0.00 C ATOM 1682 O GLU A 103 -1.994 -12.600 -2.472 1.00 0.00 O ATOM 1683 CB GLU A 103 -4.402 -14.351 -0.438 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.952 -14.285 0.987 1.00 0.00 C ATOM 1685 CD GLU A 103 -6.104 -15.280 1.136 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -6.525 -15.824 0.130 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -6.547 -15.480 2.255 1.00 0.00 O ATOM 0 H GLU A 103 -3.315 -11.604 0.563 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.441 -13.689 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.177 -14.069 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.104 -15.372 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.164 -14.515 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.299 -13.275 1.208 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.449 4.714 2.186 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.664 4.892 -0.969 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.448 2.155 1.268 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.241 4.552 5.340 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.546 7.199 3.122 1.00 0.00 C HETATM 1700 NA HEC A 104 -2.121 3.746 0.522 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.695 3.956 -0.714 1.00 0.00 C HETATM 1702 C2A HEC A 104 -2.156 3.061 -1.708 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.338 2.210 -1.037 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.268 2.694 0.314 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.854 0.882 -1.502 1.00 0.00 C HETATM 1706 CAA HEC A 104 -2.185 3.278 -3.187 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.825 4.714 -3.583 1.00 0.00 C HETATM 1708 CGA HEC A 104 -2.893 5.264 -4.530 1.00 0.00 C HETATM 1709 O1A HEC A 104 -3.191 6.443 -4.434 1.00 0.00 O HETATM 1710 O2A HEC A 104 -3.395 4.497 -5.335 1.00 0.00 O HETATM 1711 NB HEC A 104 -1.104 3.613 3.100 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.355 2.583 2.575 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.534 2.004 3.567 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.210 2.601 4.756 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.734 3.652 4.428 1.00 0.00 C HETATM 1716 CMB HEC A 104 1.803 1.262 3.274 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.412 2.023 6.133 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.722 1.250 6.323 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.793 5.679 3.851 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.193 5.498 5.074 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.711 6.410 6.060 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.731 7.069 5.468 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.720 6.672 4.083 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.027 6.813 7.322 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.842 7.764 6.172 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.537 9.231 6.478 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.802 5.804 1.279 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.583 6.804 1.812 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.429 7.409 0.813 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.247 6.692 -0.320 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.190 5.752 -0.042 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.063 8.755 0.903 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.145 6.685 -1.509 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.649 7.609 -2.623 1.00 0.00 C HETATM 1735 CGD HEC A 104 -5.740 6.884 -3.967 1.00 0.00 C HETATM 1736 O1D HEC A 104 -6.193 7.497 -4.920 1.00 0.00 O HETATM 1737 O2D HEC A 104 -5.356 5.727 -4.022 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.719 8.791 1.773 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.289 9.516 1.001 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.645 8.944 0.001 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.847 5.931 7.936 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.076 7.290 7.084 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.657 7.514 7.870 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.580 0.388 2.662 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.491 1.915 2.737 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.262 0.942 4.210 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.706 0.227 -1.682 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -0.288 1.004 -2.426 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.212 0.441 -0.739 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -6.248 8.520 -2.648 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.619 7.910 -2.429 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.654 9.294 7.114 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.352 9.766 5.547 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.387 9.680 6.992 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.756 0.414 5.625 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.566 1.913 6.135 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.777 0.873 7.344 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.754 5.341 -2.694 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.849 4.735 -4.067 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.225 5.668 -1.894 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.146 6.991 -1.206 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.489 2.589 -3.665 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -3.179 3.040 -3.565 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.226 7.995 3.426 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.852 4.507 6.357 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.184 1.318 0.970 1.00 0.00 H new HETATM 0 HHA HEC A 104 -4.045 4.957 -1.988 1.00 0.00 H new