USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=25 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 30:sc= -0.176 USER MOD Set 1.2: A 80 MET CE :methyl -179:sc= -0.245 (180deg=-0.0423) USER MOD Set 2.1: A 40 SER OG : rot 137:sc= 0.269 USER MOD Set 2.2: A 52 ASN : amide:sc= -4.05! C(o=-3.8!,f=-4.8!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -3.28! K(o=-11!,f=-1.3) USER MOD Set 3.2: A 56 ASN : amide:sc= -7.78! K(o=-11!,f=-1.3) USER MOD Single : A 2 SER OG : rot 170:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= -0.142 (180deg=-0.768) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -56:sc= 0.579 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -117:sc= 0.118 (180deg=-0.254) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.507 USER MOD Single : A 16 GLN : amide:sc= -0.0176 K(o=-0.018,f=-0.86) USER MOD Single : A 19 THR OG1 : rot -57:sc= 0.627 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-5.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.67! K(o=-2.7!,f=-0.12) USER MOD Single : A 33 HIS : no HD1:sc= -5.89! C(o=-5.9!,f=-5.7!) USER MOD Single : A 42 GLN : amide:sc= -14.2! C(o=-14!,f=-7.9!) USER MOD Single : A 46 TYR OH : rot 153:sc= -0.0303 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 60:sc= 0.373 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00292 K(o=-0.0029,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3.6!) USER MOD Single : A 64 MET CE :methyl -141:sc= -0.371 (180deg=-1.4) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 70 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.5!) USER MOD Single : A 71 HIS : no HD1:sc= -3.91! K(o=-3.9!,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0688 (180deg=-0.61) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 78 THR OG1 : rot -120:sc= -0.664 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 168:sc= -0.849 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -0.383 (180deg=-1.15) USER MOD Single : A 100 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.39) USER MOD Single : A 102 THR OG1 : rot -143:sc= -0.834 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 15.335 0.784 -3.521 1.00 0.00 N ATOM 2 CA THR A -5 16.242 -0.274 -4.050 1.00 0.00 C ATOM 3 C THR A -5 15.423 -1.515 -4.408 1.00 0.00 C ATOM 4 O THR A -5 14.210 -1.510 -4.343 1.00 0.00 O ATOM 5 CB THR A -5 17.279 -0.637 -2.983 1.00 0.00 C ATOM 6 OG1 THR A -5 18.277 -1.468 -3.560 1.00 0.00 O ATOM 7 CG2 THR A -5 16.594 -1.378 -1.834 1.00 0.00 C ATOM 0 H1 THR A -5 15.359 1.610 -4.153 1.00 0.00 H new ATOM 0 H2 THR A -5 14.364 0.415 -3.470 1.00 0.00 H new ATOM 0 H3 THR A -5 15.648 1.066 -2.570 1.00 0.00 H new ATOM 0 HA THR A -5 16.751 0.095 -4.941 1.00 0.00 H new ATOM 0 HB THR A -5 17.741 0.273 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A -5 18.943 -1.700 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A -5 17.333 -1.636 -1.075 1.00 0.00 H new ATOM 0 HG22 THR A -5 15.829 -0.738 -1.393 1.00 0.00 H new ATOM 0 HG23 THR A -5 16.131 -2.289 -2.213 1.00 0.00 H new ATOM 17 N GLU A -4 16.077 -2.580 -4.785 1.00 0.00 N ATOM 18 CA GLU A -4 15.336 -3.821 -5.146 1.00 0.00 C ATOM 19 C GLU A -4 14.480 -4.267 -3.960 1.00 0.00 C ATOM 20 O GLU A -4 14.869 -4.133 -2.816 1.00 0.00 O ATOM 21 CB GLU A -4 16.333 -4.926 -5.501 1.00 0.00 C ATOM 22 CG GLU A -4 17.153 -4.502 -6.722 1.00 0.00 C ATOM 23 CD GLU A -4 18.100 -5.635 -7.119 1.00 0.00 C ATOM 24 OE1 GLU A -4 18.202 -6.589 -6.364 1.00 0.00 O ATOM 25 OE2 GLU A -4 18.706 -5.531 -8.174 1.00 0.00 O ATOM 0 H GLU A -4 17.092 -2.644 -4.858 1.00 0.00 H new ATOM 0 HA GLU A -4 14.693 -3.624 -6.004 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.993 -5.120 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A -4 15.803 -5.855 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A -4 16.490 -4.260 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A -4 17.722 -3.600 -6.496 1.00 0.00 H new ATOM 32 N PHE A -3 13.317 -4.799 -4.221 1.00 0.00 N ATOM 33 CA PHE A -3 12.439 -5.254 -3.106 1.00 0.00 C ATOM 34 C PHE A -3 12.554 -6.770 -2.945 1.00 0.00 C ATOM 35 O PHE A -3 12.467 -7.514 -3.902 1.00 0.00 O ATOM 36 CB PHE A -3 10.986 -4.886 -3.416 1.00 0.00 C ATOM 37 CG PHE A -3 10.051 -5.741 -2.588 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.290 -5.931 -1.219 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.943 -6.347 -3.192 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.422 -6.725 -0.461 1.00 0.00 C ATOM 41 CE2 PHE A -3 8.076 -7.141 -2.433 1.00 0.00 C ATOM 42 CZ PHE A -3 8.315 -7.330 -1.067 1.00 0.00 C ATOM 0 H PHE A -3 12.937 -4.938 -5.157 1.00 0.00 H new ATOM 0 HA PHE A -3 12.750 -4.767 -2.182 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.815 -3.831 -3.201 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.783 -5.032 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.144 -5.465 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.757 -6.201 -4.246 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.607 -6.871 0.593 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.222 -7.608 -2.901 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.646 -7.942 -0.481 1.00 0.00 H new ATOM 52 N LYS A -2 12.744 -7.230 -1.738 1.00 0.00 N ATOM 53 CA LYS A -2 12.860 -8.694 -1.500 1.00 0.00 C ATOM 54 C LYS A -2 11.873 -9.097 -0.406 1.00 0.00 C ATOM 55 O LYS A -2 11.834 -8.508 0.657 1.00 0.00 O ATOM 56 CB LYS A -2 14.285 -9.030 -1.055 1.00 0.00 C ATOM 57 CG LYS A -2 14.439 -10.549 -0.940 1.00 0.00 C ATOM 58 CD LYS A -2 15.888 -10.891 -0.587 1.00 0.00 C ATOM 59 CE LYS A -2 16.201 -10.400 0.829 1.00 0.00 C ATOM 60 NZ LYS A -2 17.363 -11.159 1.372 1.00 0.00 N ATOM 0 H LYS A -2 12.824 -6.650 -0.903 1.00 0.00 H new ATOM 0 HA LYS A -2 12.635 -9.237 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A -2 15.004 -8.634 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.499 -8.558 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.766 -10.936 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.161 -11.025 -1.880 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.044 -11.968 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.567 -10.426 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A -2 16.424 -9.333 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A -2 15.332 -10.535 1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 17.576 -10.826 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 17.133 -12.173 1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.192 -11.008 0.762 1.00 0.00 H new ATOM 74 N ALA A -1 11.069 -10.092 -0.655 1.00 0.00 N ATOM 75 CA ALA A -1 10.081 -10.525 0.369 1.00 0.00 C ATOM 76 C ALA A -1 10.812 -10.961 1.640 1.00 0.00 C ATOM 77 O ALA A -1 11.255 -12.087 1.759 1.00 0.00 O ATOM 78 CB ALA A -1 9.259 -11.692 -0.175 1.00 0.00 C ATOM 0 H ALA A -1 11.054 -10.624 -1.525 1.00 0.00 H new ATOM 0 HA ALA A -1 9.418 -9.693 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.535 -12.009 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.733 -11.377 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.922 -12.524 -0.414 1.00 0.00 H new ATOM 84 N GLY A 1 10.934 -10.080 2.594 1.00 0.00 N ATOM 85 CA GLY A 1 11.627 -10.444 3.861 1.00 0.00 C ATOM 86 C GLY A 1 10.688 -11.290 4.719 1.00 0.00 C ATOM 87 O GLY A 1 10.527 -12.473 4.494 1.00 0.00 O ATOM 0 H GLY A 1 10.583 -9.123 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.540 -10.998 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.921 -9.544 4.401 1.00 0.00 H new ATOM 91 N SER A 2 10.057 -10.692 5.696 1.00 0.00 N ATOM 92 CA SER A 2 9.118 -11.462 6.560 1.00 0.00 C ATOM 93 C SER A 2 7.796 -10.702 6.670 1.00 0.00 C ATOM 94 O SER A 2 7.752 -9.575 7.124 1.00 0.00 O ATOM 95 CB SER A 2 9.727 -11.628 7.953 1.00 0.00 C ATOM 96 OG SER A 2 8.890 -12.472 8.733 1.00 0.00 O ATOM 0 H SER A 2 10.152 -9.704 5.932 1.00 0.00 H new ATOM 0 HA SER A 2 8.940 -12.444 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.726 -12.057 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.833 -10.656 8.435 1.00 0.00 H new ATOM 0 HG SER A 2 9.351 -12.712 9.564 1.00 0.00 H new ATOM 102 N ALA A 3 6.717 -11.310 6.260 1.00 0.00 N ATOM 103 CA ALA A 3 5.399 -10.622 6.342 1.00 0.00 C ATOM 104 C ALA A 3 4.977 -10.495 7.807 1.00 0.00 C ATOM 105 O ALA A 3 4.342 -9.536 8.200 1.00 0.00 O ATOM 106 CB ALA A 3 4.351 -11.435 5.579 1.00 0.00 C ATOM 0 H ALA A 3 6.692 -12.253 5.872 1.00 0.00 H new ATOM 0 HA ALA A 3 5.481 -9.629 5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.386 -10.932 5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.650 -11.524 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.270 -12.429 6.020 1.00 0.00 H new ATOM 112 N LYS A 4 5.318 -11.460 8.614 1.00 0.00 N ATOM 113 CA LYS A 4 4.932 -11.405 10.050 1.00 0.00 C ATOM 114 C LYS A 4 5.534 -10.163 10.691 1.00 0.00 C ATOM 115 O LYS A 4 4.868 -9.412 11.375 1.00 0.00 O ATOM 116 CB LYS A 4 5.488 -12.638 10.755 1.00 0.00 C ATOM 117 CG LYS A 4 5.030 -13.889 10.015 1.00 0.00 C ATOM 118 CD LYS A 4 5.561 -15.133 10.731 1.00 0.00 C ATOM 119 CE LYS A 4 4.921 -15.240 12.116 1.00 0.00 C ATOM 120 NZ LYS A 4 5.883 -14.754 13.146 1.00 0.00 N ATOM 0 H LYS A 4 5.849 -12.287 8.340 1.00 0.00 H new ATOM 0 HA LYS A 4 3.846 -11.374 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.577 -12.596 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.144 -12.666 11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.941 -13.919 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.390 -13.868 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.337 -16.025 10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.646 -15.076 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.005 -14.651 12.152 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.643 -16.274 12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.371 -14.214 13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.357 -15.567 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.594 -14.142 12.696 1.00 0.00 H new ATOM 134 N LYS A 5 6.798 -9.949 10.477 1.00 0.00 N ATOM 135 CA LYS A 5 7.465 -8.761 11.074 1.00 0.00 C ATOM 136 C LYS A 5 6.806 -7.482 10.558 1.00 0.00 C ATOM 137 O LYS A 5 6.491 -6.587 11.317 1.00 0.00 O ATOM 138 CB LYS A 5 8.944 -8.768 10.687 1.00 0.00 C ATOM 139 CG LYS A 5 9.631 -9.986 11.307 1.00 0.00 C ATOM 140 CD LYS A 5 11.133 -9.924 11.024 1.00 0.00 C ATOM 141 CE LYS A 5 11.803 -11.202 11.533 1.00 0.00 C ATOM 142 NZ LYS A 5 13.063 -11.438 10.775 1.00 0.00 N ATOM 0 H LYS A 5 7.401 -10.547 9.913 1.00 0.00 H new ATOM 0 HA LYS A 5 7.369 -8.798 12.159 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.046 -8.793 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.425 -7.852 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.453 -10.009 12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.210 -10.903 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.308 -9.811 9.954 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.570 -9.053 11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.018 -11.113 12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.130 -12.051 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.519 -12.307 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.845 -11.540 9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.706 -10.632 10.911 1.00 0.00 H new ATOM 156 N GLY A 6 6.586 -7.386 9.275 1.00 0.00 N ATOM 157 CA GLY A 6 5.939 -6.160 8.728 1.00 0.00 C ATOM 158 C GLY A 6 4.500 -6.081 9.238 1.00 0.00 C ATOM 159 O GLY A 6 3.982 -5.014 9.493 1.00 0.00 O ATOM 0 H GLY A 6 6.825 -8.099 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.495 -5.274 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.951 -6.184 7.638 1.00 0.00 H new ATOM 163 N ALA A 7 3.851 -7.204 9.390 1.00 0.00 N ATOM 164 CA ALA A 7 2.446 -7.189 9.884 1.00 0.00 C ATOM 165 C ALA A 7 2.394 -6.417 11.200 1.00 0.00 C ATOM 166 O ALA A 7 1.516 -5.606 11.424 1.00 0.00 O ATOM 167 CB ALA A 7 1.967 -8.623 10.117 1.00 0.00 C ATOM 0 H ALA A 7 4.233 -8.129 9.194 1.00 0.00 H new ATOM 0 HA ALA A 7 1.802 -6.711 9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.939 -8.609 10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.015 -9.179 9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.605 -9.104 10.858 1.00 0.00 H new ATOM 173 N THR A 8 3.341 -6.645 12.066 1.00 0.00 N ATOM 174 CA THR A 8 3.361 -5.908 13.354 1.00 0.00 C ATOM 175 C THR A 8 3.576 -4.431 13.049 1.00 0.00 C ATOM 176 O THR A 8 2.923 -3.560 13.587 1.00 0.00 O ATOM 177 CB THR A 8 4.524 -6.421 14.199 1.00 0.00 C ATOM 178 OG1 THR A 8 5.750 -6.094 13.558 1.00 0.00 O ATOM 179 CG2 THR A 8 4.416 -7.936 14.351 1.00 0.00 C ATOM 0 H THR A 8 4.102 -7.311 11.935 1.00 0.00 H new ATOM 0 HA THR A 8 2.426 -6.052 13.895 1.00 0.00 H new ATOM 0 HB THR A 8 4.492 -5.957 15.185 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.749 -6.454 12.647 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.247 -8.301 14.955 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.475 -8.186 14.840 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.449 -8.404 13.367 1.00 0.00 H new ATOM 187 N LEU A 9 4.488 -4.160 12.165 1.00 0.00 N ATOM 188 CA LEU A 9 4.778 -2.757 11.770 1.00 0.00 C ATOM 189 C LEU A 9 3.536 -2.139 11.127 1.00 0.00 C ATOM 190 O LEU A 9 3.196 -0.998 11.367 1.00 0.00 O ATOM 191 CB LEU A 9 5.912 -2.770 10.750 1.00 0.00 C ATOM 192 CG LEU A 9 7.182 -3.341 11.387 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.327 -3.241 10.386 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.546 -2.543 12.642 1.00 0.00 C ATOM 0 H LEU A 9 5.055 -4.863 11.691 1.00 0.00 H new ATOM 0 HA LEU A 9 5.059 -2.173 12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.628 -3.370 9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.099 -1.759 10.389 1.00 0.00 H new ATOM 0 HG LEU A 9 7.009 -4.382 11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.236 -3.645 10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.078 -3.810 9.490 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.487 -2.196 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.451 -2.957 13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.719 -1.501 12.373 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.728 -2.602 13.360 1.00 0.00 H new ATOM 206 N PHE A 10 2.866 -2.890 10.302 1.00 0.00 N ATOM 207 CA PHE A 10 1.649 -2.368 9.619 1.00 0.00 C ATOM 208 C PHE A 10 0.581 -2.009 10.657 1.00 0.00 C ATOM 209 O PHE A 10 0.000 -0.942 10.623 1.00 0.00 O ATOM 210 CB PHE A 10 1.109 -3.456 8.682 1.00 0.00 C ATOM 211 CG PHE A 10 -0.008 -2.899 7.831 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.322 -2.897 8.311 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.274 -2.383 6.560 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.356 -2.376 7.521 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.759 -1.864 5.769 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.074 -1.859 6.249 1.00 0.00 C ATOM 0 H PHE A 10 3.110 -3.852 10.068 1.00 0.00 H new ATOM 0 HA PHE A 10 1.901 -1.473 9.050 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.911 -3.829 8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.745 -4.302 9.265 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.540 -3.297 9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.288 -2.385 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.370 -2.373 7.892 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.541 -1.468 4.788 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.870 -1.457 5.640 1.00 0.00 H new ATOM 226 N LYS A 11 0.311 -2.899 11.572 1.00 0.00 N ATOM 227 CA LYS A 11 -0.724 -2.628 12.606 1.00 0.00 C ATOM 228 C LYS A 11 -0.314 -1.447 13.492 1.00 0.00 C ATOM 229 O LYS A 11 -1.143 -0.679 13.932 1.00 0.00 O ATOM 230 CB LYS A 11 -0.899 -3.874 13.473 1.00 0.00 C ATOM 231 CG LYS A 11 -1.451 -5.019 12.621 1.00 0.00 C ATOM 232 CD LYS A 11 -1.733 -6.229 13.512 1.00 0.00 C ATOM 233 CE LYS A 11 -2.174 -7.410 12.646 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.614 -7.700 12.897 1.00 0.00 N ATOM 0 H LYS A 11 0.767 -3.808 11.647 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.661 -2.378 12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.057 -4.161 13.911 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.578 -3.662 14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.365 -4.704 12.118 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.735 -5.286 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.840 -6.493 14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.510 -5.986 14.237 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.017 -7.181 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.570 -8.288 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.914 -8.503 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.751 -7.936 13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.183 -6.863 12.658 1.00 0.00 H new ATOM 248 N THR A 12 0.949 -1.308 13.780 1.00 0.00 N ATOM 249 CA THR A 12 1.389 -0.187 14.662 1.00 0.00 C ATOM 250 C THR A 12 1.762 1.044 13.833 1.00 0.00 C ATOM 251 O THR A 12 2.042 2.097 14.373 1.00 0.00 O ATOM 252 CB THR A 12 2.604 -0.633 15.479 1.00 0.00 C ATOM 253 OG1 THR A 12 3.696 -0.879 14.604 1.00 0.00 O ATOM 254 CG2 THR A 12 2.265 -1.911 16.247 1.00 0.00 C ATOM 0 H THR A 12 1.695 -1.918 13.446 1.00 0.00 H new ATOM 0 HA THR A 12 0.566 0.077 15.326 1.00 0.00 H new ATOM 0 HB THR A 12 2.874 0.151 16.186 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.584 -1.755 14.179 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.131 -2.227 16.828 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.428 -1.721 16.918 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.994 -2.698 15.543 1.00 0.00 H new ATOM 262 N ARG A 13 1.781 0.933 12.537 1.00 0.00 N ATOM 263 CA ARG A 13 2.150 2.113 11.706 1.00 0.00 C ATOM 264 C ARG A 13 1.375 2.096 10.392 1.00 0.00 C ATOM 265 O ARG A 13 1.832 2.610 9.391 1.00 0.00 O ATOM 266 CB ARG A 13 3.648 2.065 11.406 1.00 0.00 C ATOM 267 CG ARG A 13 4.433 2.167 12.716 1.00 0.00 C ATOM 268 CD ARG A 13 5.927 2.282 12.408 1.00 0.00 C ATOM 269 NE ARG A 13 6.705 2.174 13.675 1.00 0.00 N ATOM 270 CZ ARG A 13 6.897 3.233 14.413 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.407 4.385 14.045 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.580 3.139 15.522 1.00 0.00 N ATOM 0 H ARG A 13 1.559 0.083 12.018 1.00 0.00 H new ATOM 0 HA ARG A 13 1.905 3.024 12.252 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.897 1.137 10.891 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.923 2.883 10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.100 3.035 13.285 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.245 1.289 13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.228 1.496 11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.136 3.234 11.920 1.00 0.00 H new ATOM 0 HE ARG A 13 7.087 1.274 13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.873 4.459 13.179 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.558 5.212 14.623 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.963 2.239 15.810 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.731 3.966 16.100 1.00 0.00 H new ATOM 286 N CYS A 14 0.216 1.500 10.372 1.00 0.00 N ATOM 287 CA CYS A 14 -0.557 1.446 9.101 1.00 0.00 C ATOM 288 C CYS A 14 -1.941 0.846 9.361 1.00 0.00 C ATOM 289 O CYS A 14 -2.288 -0.183 8.818 1.00 0.00 O ATOM 290 CB CYS A 14 0.206 0.554 8.125 1.00 0.00 C ATOM 291 SG CYS A 14 -0.292 0.902 6.416 1.00 0.00 S ATOM 0 H CYS A 14 -0.227 1.051 11.174 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.680 2.449 8.691 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.278 0.717 8.237 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.017 -0.494 8.358 1.00 0.00 H new ATOM 296 N LEU A 15 -2.735 1.473 10.182 1.00 0.00 N ATOM 297 CA LEU A 15 -4.091 0.918 10.459 1.00 0.00 C ATOM 298 C LEU A 15 -5.082 2.056 10.718 1.00 0.00 C ATOM 299 O LEU A 15 -6.257 1.944 10.429 1.00 0.00 O ATOM 300 CB LEU A 15 -4.033 -0.009 11.682 1.00 0.00 C ATOM 301 CG LEU A 15 -3.690 0.788 12.946 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.699 -0.153 14.152 1.00 0.00 C ATOM 303 CD2 LEU A 15 -2.300 1.411 12.804 1.00 0.00 C ATOM 0 H LEU A 15 -2.508 2.339 10.671 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.425 0.349 9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.992 -0.511 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.286 -0.786 11.521 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.427 1.578 13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.456 0.409 15.054 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.688 -0.599 14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.960 -0.940 14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.061 1.976 13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.561 0.623 12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.287 2.079 11.942 1.00 0.00 H new ATOM 315 N GLN A 16 -4.622 3.148 11.263 1.00 0.00 N ATOM 316 CA GLN A 16 -5.542 4.286 11.540 1.00 0.00 C ATOM 317 C GLN A 16 -6.279 4.677 10.258 1.00 0.00 C ATOM 318 O GLN A 16 -7.429 5.066 10.287 1.00 0.00 O ATOM 319 CB GLN A 16 -4.733 5.482 12.046 1.00 0.00 C ATOM 320 CG GLN A 16 -3.871 6.032 10.908 1.00 0.00 C ATOM 321 CD GLN A 16 -2.884 7.059 11.466 1.00 0.00 C ATOM 322 OE1 GLN A 16 -2.313 6.860 12.520 1.00 0.00 O ATOM 323 NE2 GLN A 16 -2.656 8.157 10.798 1.00 0.00 N ATOM 0 H GLN A 16 -3.649 3.301 11.528 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.267 3.988 12.297 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.403 6.258 12.416 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.102 5.180 12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.331 5.220 10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.503 6.494 10.149 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.135 8.324 9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.999 8.848 11.161 1.00 0.00 H new ATOM 332 N CYS A 17 -5.625 4.581 9.133 1.00 0.00 N ATOM 333 CA CYS A 17 -6.291 4.954 7.853 1.00 0.00 C ATOM 334 C CYS A 17 -6.856 3.702 7.177 1.00 0.00 C ATOM 335 O CYS A 17 -8.032 3.413 7.264 1.00 0.00 O ATOM 336 CB CYS A 17 -5.269 5.608 6.924 1.00 0.00 C ATOM 337 SG CYS A 17 -4.942 7.303 7.473 1.00 0.00 S ATOM 0 H CYS A 17 -4.660 4.261 9.045 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.103 5.651 8.060 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.344 5.031 6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.644 5.613 5.901 1.00 0.00 H new ATOM 342 N HIS A 18 -6.023 2.961 6.498 1.00 0.00 N ATOM 343 CA HIS A 18 -6.505 1.731 5.807 1.00 0.00 C ATOM 344 C HIS A 18 -7.176 0.794 6.810 1.00 0.00 C ATOM 345 O HIS A 18 -8.143 0.128 6.497 1.00 0.00 O ATOM 346 CB HIS A 18 -5.321 1.016 5.150 1.00 0.00 C ATOM 347 CG HIS A 18 -4.813 1.846 4.007 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.272 1.672 2.708 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.896 2.865 3.947 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.637 2.566 1.928 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.793 3.313 2.637 1.00 0.00 N ATOM 0 H HIS A 18 -5.027 3.155 6.392 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.231 2.013 5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.527 0.857 5.880 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.628 0.033 4.793 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.965 0.990 2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.342 3.257 4.787 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.792 2.665 0.864 1.00 0.00 H new ATOM 359 N THR A 19 -6.671 0.728 8.010 1.00 0.00 N ATOM 360 CA THR A 19 -7.283 -0.178 9.021 1.00 0.00 C ATOM 361 C THR A 19 -7.583 -1.528 8.356 1.00 0.00 C ATOM 362 O THR A 19 -8.707 -1.838 8.015 1.00 0.00 O ATOM 363 CB THR A 19 -8.576 0.458 9.556 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.596 1.836 9.212 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.637 0.313 11.079 1.00 0.00 C ATOM 0 H THR A 19 -5.863 1.260 8.334 1.00 0.00 H new ATOM 0 HA THR A 19 -6.600 -0.334 9.856 1.00 0.00 H new ATOM 0 HB THR A 19 -9.436 -0.046 9.114 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.796 2.274 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.556 0.766 11.451 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.620 -0.744 11.345 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.779 0.814 11.527 1.00 0.00 H new ATOM 373 N VAL A 20 -6.572 -2.327 8.150 1.00 0.00 N ATOM 374 CA VAL A 20 -6.781 -3.645 7.490 1.00 0.00 C ATOM 375 C VAL A 20 -7.485 -4.609 8.447 1.00 0.00 C ATOM 376 O VAL A 20 -7.025 -5.706 8.694 1.00 0.00 O ATOM 377 CB VAL A 20 -5.426 -4.216 7.074 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.590 -5.657 6.591 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.853 -3.368 5.938 1.00 0.00 C ATOM 0 H VAL A 20 -5.608 -2.122 8.412 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.408 -3.514 6.608 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.752 -4.200 7.930 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.619 -6.055 6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.003 -6.266 7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.265 -5.679 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.886 -3.770 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.536 -3.389 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.728 -2.340 6.278 1.00 0.00 H new ATOM 389 N GLU A 21 -8.607 -4.214 8.980 1.00 0.00 N ATOM 390 CA GLU A 21 -9.347 -5.114 9.906 1.00 0.00 C ATOM 391 C GLU A 21 -10.041 -6.205 9.090 1.00 0.00 C ATOM 392 O GLU A 21 -10.920 -6.888 9.572 1.00 0.00 O ATOM 393 CB GLU A 21 -10.399 -4.314 10.677 1.00 0.00 C ATOM 394 CG GLU A 21 -9.710 -3.221 11.490 1.00 0.00 C ATOM 395 CD GLU A 21 -8.792 -3.858 12.534 1.00 0.00 C ATOM 396 OE1 GLU A 21 -8.967 -5.034 12.811 1.00 0.00 O ATOM 397 OE2 GLU A 21 -7.929 -3.160 13.041 1.00 0.00 O ATOM 0 H GLU A 21 -9.043 -3.307 8.814 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.649 -5.563 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.114 -3.871 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.962 -4.974 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.133 -2.573 10.831 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.455 -2.594 11.980 1.00 0.00 H new ATOM 404 N LYS A 22 -9.652 -6.358 7.848 1.00 0.00 N ATOM 405 CA LYS A 22 -10.279 -7.393 6.971 1.00 0.00 C ATOM 406 C LYS A 22 -11.738 -7.026 6.713 1.00 0.00 C ATOM 407 O LYS A 22 -12.648 -7.719 7.122 1.00 0.00 O ATOM 408 CB LYS A 22 -10.193 -8.770 7.626 1.00 0.00 C ATOM 409 CG LYS A 22 -8.761 -9.016 8.099 1.00 0.00 C ATOM 410 CD LYS A 22 -7.797 -8.946 6.911 1.00 0.00 C ATOM 411 CE LYS A 22 -6.449 -9.543 7.316 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.363 -10.951 6.839 1.00 0.00 N ATOM 0 H LYS A 22 -8.921 -5.805 7.401 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.742 -7.428 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.882 -8.828 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.492 -9.542 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.484 -8.273 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.690 -9.993 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.209 -9.492 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.668 -7.911 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.636 -8.954 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.335 -9.508 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.446 -11.356 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.130 -11.509 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.453 -10.973 5.803 1.00 0.00 H new ATOM 426 N GLY A 23 -11.966 -5.933 6.036 1.00 0.00 N ATOM 427 CA GLY A 23 -13.364 -5.507 5.747 1.00 0.00 C ATOM 428 C GLY A 23 -13.745 -4.337 6.656 1.00 0.00 C ATOM 429 O GLY A 23 -14.898 -3.975 6.768 1.00 0.00 O ATOM 0 H GLY A 23 -11.241 -5.315 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.456 -5.213 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.048 -6.341 5.905 1.00 0.00 H new ATOM 433 N GLY A 24 -12.782 -3.742 7.308 1.00 0.00 N ATOM 434 CA GLY A 24 -13.092 -2.593 8.207 1.00 0.00 C ATOM 435 C GLY A 24 -13.587 -1.408 7.375 1.00 0.00 C ATOM 436 O GLY A 24 -13.312 -1.311 6.195 1.00 0.00 O ATOM 0 H GLY A 24 -11.797 -4.001 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.851 -2.882 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.203 -2.309 8.770 1.00 0.00 H new ATOM 440 N PRO A 25 -14.313 -0.511 7.989 1.00 0.00 N ATOM 441 CA PRO A 25 -14.862 0.697 7.302 1.00 0.00 C ATOM 442 C PRO A 25 -13.756 1.574 6.708 1.00 0.00 C ATOM 443 O PRO A 25 -12.651 1.622 7.212 1.00 0.00 O ATOM 444 CB PRO A 25 -15.613 1.455 8.405 1.00 0.00 C ATOM 445 CG PRO A 25 -15.131 0.882 9.699 1.00 0.00 C ATOM 446 CD PRO A 25 -14.689 -0.549 9.407 1.00 0.00 C ATOM 0 HA PRO A 25 -15.500 0.423 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.409 2.524 8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.691 1.330 8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.304 1.469 10.098 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.923 0.897 10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.850 -0.846 10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.493 -1.262 9.590 1.00 0.00 H new ATOM 454 N HIS A 26 -14.042 2.267 5.639 1.00 0.00 N ATOM 455 CA HIS A 26 -13.004 3.135 5.016 1.00 0.00 C ATOM 456 C HIS A 26 -12.948 4.476 5.753 1.00 0.00 C ATOM 457 O HIS A 26 -13.504 5.460 5.309 1.00 0.00 O ATOM 458 CB HIS A 26 -13.356 3.386 3.547 1.00 0.00 C ATOM 459 CG HIS A 26 -13.591 2.075 2.849 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.550 1.297 2.362 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.743 1.392 2.543 1.00 0.00 C ATOM 462 CE1 HIS A 26 -13.091 0.204 1.793 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.423 0.215 1.878 1.00 0.00 N ATOM 0 H HIS A 26 -14.948 2.269 5.171 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.036 2.638 5.081 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.247 4.010 3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.548 3.930 3.057 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.744 1.720 2.783 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.519 -0.584 1.326 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.070 -0.492 1.528 1.00 0.00 H new ATOM 472 N LYS A 27 -12.275 4.527 6.871 1.00 0.00 N ATOM 473 CA LYS A 27 -12.183 5.811 7.621 1.00 0.00 C ATOM 474 C LYS A 27 -11.565 6.872 6.710 1.00 0.00 C ATOM 475 O LYS A 27 -11.926 8.031 6.749 1.00 0.00 O ATOM 476 CB LYS A 27 -11.300 5.622 8.856 1.00 0.00 C ATOM 477 CG LYS A 27 -11.959 4.622 9.809 1.00 0.00 C ATOM 478 CD LYS A 27 -11.132 4.516 11.091 1.00 0.00 C ATOM 479 CE LYS A 27 -11.717 3.424 11.988 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.873 3.276 13.207 1.00 0.00 N ATOM 0 H LYS A 27 -11.787 3.738 7.295 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.178 6.126 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.315 5.262 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.152 6.577 9.360 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.974 4.942 10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.036 3.645 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.095 4.285 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.132 5.471 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.739 3.678 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.761 2.479 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.271 2.533 13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.905 3.015 12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.853 4.177 13.727 1.00 0.00 H new ATOM 494 N VAL A 28 -10.640 6.473 5.882 1.00 0.00 N ATOM 495 CA VAL A 28 -9.991 7.439 4.952 1.00 0.00 C ATOM 496 C VAL A 28 -9.413 6.666 3.768 1.00 0.00 C ATOM 497 O VAL A 28 -9.967 6.660 2.686 1.00 0.00 O ATOM 498 CB VAL A 28 -8.862 8.174 5.676 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.059 8.997 4.666 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.455 9.109 6.731 1.00 0.00 C ATOM 0 H VAL A 28 -10.304 5.513 5.809 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.725 8.166 4.604 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.208 7.447 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.254 9.521 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.635 8.334 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.715 9.723 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.650 9.633 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.109 9.835 6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.029 8.527 7.452 1.00 0.00 H new ATOM 510 N GLY A 29 -8.305 6.009 3.967 1.00 0.00 N ATOM 511 CA GLY A 29 -7.692 5.228 2.859 1.00 0.00 C ATOM 512 C GLY A 29 -8.496 3.943 2.644 1.00 0.00 C ATOM 513 O GLY A 29 -9.182 3.478 3.531 1.00 0.00 O ATOM 0 H GLY A 29 -7.797 5.980 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.679 5.820 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.656 4.987 3.097 1.00 0.00 H new ATOM 517 N PRO A 30 -8.412 3.378 1.470 1.00 0.00 N ATOM 518 CA PRO A 30 -9.145 2.126 1.122 1.00 0.00 C ATOM 519 C PRO A 30 -8.774 0.955 2.037 1.00 0.00 C ATOM 520 O PRO A 30 -7.682 0.890 2.565 1.00 0.00 O ATOM 521 CB PRO A 30 -8.727 1.826 -0.323 1.00 0.00 C ATOM 522 CG PRO A 30 -7.519 2.665 -0.588 1.00 0.00 C ATOM 523 CD PRO A 30 -7.606 3.869 0.347 1.00 0.00 C ATOM 0 HA PRO A 30 -10.221 2.255 1.241 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.502 0.767 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.530 2.068 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.606 2.098 -0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.491 2.985 -1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.619 4.194 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.077 4.722 -0.141 1.00 0.00 H new ATOM 531 N ASN A 31 -9.673 0.026 2.220 1.00 0.00 N ATOM 532 CA ASN A 31 -9.369 -1.143 3.091 1.00 0.00 C ATOM 533 C ASN A 31 -8.016 -1.723 2.679 1.00 0.00 C ATOM 534 O ASN A 31 -7.371 -2.416 3.437 1.00 0.00 O ATOM 535 CB ASN A 31 -10.456 -2.207 2.926 1.00 0.00 C ATOM 536 CG ASN A 31 -10.346 -3.228 4.061 1.00 0.00 C ATOM 537 OD1 ASN A 31 -10.392 -2.871 5.222 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.205 -4.493 3.774 1.00 0.00 N ATOM 0 H ASN A 31 -10.604 0.027 1.804 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.337 -0.829 4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.441 -1.741 2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.349 -2.705 1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.134 -5.181 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.166 -4.794 2.800 1.00 0.00 H new ATOM 545 N LEU A 32 -7.593 -1.435 1.476 1.00 0.00 N ATOM 546 CA LEU A 32 -6.282 -1.948 0.980 1.00 0.00 C ATOM 547 C LEU A 32 -6.377 -3.453 0.752 1.00 0.00 C ATOM 548 O LEU A 32 -5.449 -4.197 0.999 1.00 0.00 O ATOM 549 CB LEU A 32 -5.181 -1.629 2.008 1.00 0.00 C ATOM 550 CG LEU A 32 -3.787 -1.675 1.365 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.715 -0.718 0.177 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.750 -1.232 2.394 1.00 0.00 C ATOM 0 H LEU A 32 -8.106 -0.859 0.809 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.032 -1.464 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.354 -0.641 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.229 -2.344 2.829 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.592 -2.693 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.720 -0.763 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.458 -1.005 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.915 0.298 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.757 -1.262 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.971 -0.215 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.780 -1.902 3.253 1.00 0.00 H new ATOM 564 N HIS A 33 -7.501 -3.897 0.266 1.00 0.00 N ATOM 565 CA HIS A 33 -7.691 -5.344 -0.008 1.00 0.00 C ATOM 566 C HIS A 33 -8.055 -5.528 -1.481 1.00 0.00 C ATOM 567 O HIS A 33 -8.002 -6.617 -2.016 1.00 0.00 O ATOM 568 CB HIS A 33 -8.830 -5.869 0.861 1.00 0.00 C ATOM 569 CG HIS A 33 -8.268 -6.728 1.953 1.00 0.00 C ATOM 570 ND1 HIS A 33 -7.352 -6.250 2.880 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.481 -8.041 2.276 1.00 0.00 C ATOM 572 CE1 HIS A 33 -7.051 -7.265 3.711 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.715 -8.377 3.386 1.00 0.00 N ATOM 0 H HIS A 33 -8.305 -3.310 0.045 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.774 -5.890 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.389 -5.037 1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.530 -6.444 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.143 -8.713 1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.359 -7.190 4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.670 -9.282 3.854 1.00 0.00 H new ATOM 582 N GLY A 34 -8.446 -4.466 -2.129 1.00 0.00 N ATOM 583 CA GLY A 34 -8.841 -4.565 -3.566 1.00 0.00 C ATOM 584 C GLY A 34 -7.767 -3.954 -4.473 1.00 0.00 C ATOM 585 O GLY A 34 -7.841 -4.058 -5.682 1.00 0.00 O ATOM 0 H GLY A 34 -8.510 -3.531 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.996 -5.610 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.790 -4.052 -3.723 1.00 0.00 H new ATOM 589 N ILE A 35 -6.773 -3.317 -3.917 1.00 0.00 N ATOM 590 CA ILE A 35 -5.716 -2.709 -4.779 1.00 0.00 C ATOM 591 C ILE A 35 -5.081 -3.799 -5.647 1.00 0.00 C ATOM 592 O ILE A 35 -4.656 -3.546 -6.756 1.00 0.00 O ATOM 593 CB ILE A 35 -4.650 -2.033 -3.901 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.308 -0.882 -3.125 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.509 -1.478 -4.769 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.284 0.229 -2.854 1.00 0.00 C ATOM 0 H ILE A 35 -6.646 -3.191 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.161 -1.953 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.235 -2.767 -3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.147 -0.482 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.711 -1.253 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.764 -1.003 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.045 -2.293 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.908 -0.744 -5.469 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.763 1.039 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.459 -0.172 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.902 0.610 -3.801 1.00 0.00 H new ATOM 608 N PHE A 36 -5.011 -5.006 -5.159 1.00 0.00 N ATOM 609 CA PHE A 36 -4.396 -6.093 -5.974 1.00 0.00 C ATOM 610 C PHE A 36 -5.497 -6.912 -6.652 1.00 0.00 C ATOM 611 O PHE A 36 -6.453 -7.328 -6.028 1.00 0.00 O ATOM 612 CB PHE A 36 -3.560 -6.998 -5.069 1.00 0.00 C ATOM 613 CG PHE A 36 -2.459 -6.186 -4.434 1.00 0.00 C ATOM 614 CD1 PHE A 36 -1.278 -5.931 -5.141 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.620 -5.684 -3.137 1.00 0.00 C ATOM 616 CE1 PHE A 36 -0.259 -5.173 -4.552 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.602 -4.928 -2.547 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.421 -4.671 -3.255 1.00 0.00 C ATOM 0 H PHE A 36 -5.350 -5.287 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.753 -5.656 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.190 -7.444 -4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.135 -7.818 -5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.153 -6.319 -6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.531 -5.881 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.652 -4.976 -5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.726 -4.542 -1.546 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.365 -4.086 -2.800 1.00 0.00 H new ATOM 628 N GLY A 37 -5.367 -7.135 -7.931 1.00 0.00 N ATOM 629 CA GLY A 37 -6.399 -7.916 -8.673 1.00 0.00 C ATOM 630 C GLY A 37 -6.290 -7.578 -10.161 1.00 0.00 C ATOM 631 O GLY A 37 -5.515 -8.169 -10.886 1.00 0.00 O ATOM 0 H GLY A 37 -4.585 -6.808 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.250 -8.984 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.395 -7.675 -8.302 1.00 0.00 H new ATOM 635 N ARG A 38 -7.046 -6.616 -10.618 1.00 0.00 N ATOM 636 CA ARG A 38 -6.967 -6.226 -12.053 1.00 0.00 C ATOM 637 C ARG A 38 -7.004 -4.699 -12.156 1.00 0.00 C ATOM 638 O ARG A 38 -7.669 -4.031 -11.390 1.00 0.00 O ATOM 639 CB ARG A 38 -8.143 -6.821 -12.827 1.00 0.00 C ATOM 640 CG ARG A 38 -9.452 -6.219 -12.322 1.00 0.00 C ATOM 641 CD ARG A 38 -10.050 -5.315 -13.401 1.00 0.00 C ATOM 642 NE ARG A 38 -11.379 -4.815 -12.951 1.00 0.00 N ATOM 643 CZ ARG A 38 -12.443 -5.553 -13.115 1.00 0.00 C ATOM 644 NH1 ARG A 38 -12.343 -6.728 -13.675 1.00 0.00 N ATOM 645 NH2 ARG A 38 -13.608 -5.116 -12.720 1.00 0.00 N ATOM 0 H ARG A 38 -7.714 -6.085 -10.059 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.039 -6.606 -12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.027 -6.621 -13.892 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.159 -7.904 -12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.155 -7.012 -12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.274 -5.647 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.382 -4.476 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.155 -5.866 -14.335 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.458 -3.896 -12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.433 -7.070 -13.985 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.175 -7.304 -13.803 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.687 -4.198 -12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.439 -5.693 -12.848 1.00 0.00 H new ATOM 659 N HIS A 39 -6.292 -4.148 -13.098 1.00 0.00 N ATOM 660 CA HIS A 39 -6.270 -2.662 -13.261 1.00 0.00 C ATOM 661 C HIS A 39 -6.140 -1.990 -11.890 1.00 0.00 C ATOM 662 O HIS A 39 -5.977 -2.644 -10.879 1.00 0.00 O ATOM 663 CB HIS A 39 -7.566 -2.202 -13.932 1.00 0.00 C ATOM 664 CG HIS A 39 -7.725 -2.901 -15.254 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.921 -2.893 -15.956 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.847 -3.637 -16.014 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.735 -3.603 -17.085 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.490 -4.076 -17.165 1.00 0.00 N ATOM 0 H HIS A 39 -5.720 -4.663 -13.767 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.418 -2.383 -13.881 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.418 -2.421 -13.289 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.547 -1.122 -14.080 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.818 -3.842 -15.757 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.498 -3.769 -17.832 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.093 -4.642 -17.915 1.00 0.00 H new ATOM 677 N SER A 40 -6.200 -0.685 -11.849 1.00 0.00 N ATOM 678 CA SER A 40 -6.080 0.027 -10.550 1.00 0.00 C ATOM 679 C SER A 40 -7.445 0.589 -10.139 1.00 0.00 C ATOM 680 O SER A 40 -8.284 0.877 -10.970 1.00 0.00 O ATOM 681 CB SER A 40 -5.083 1.173 -10.695 1.00 0.00 C ATOM 682 OG SER A 40 -5.528 2.059 -11.714 1.00 0.00 O ATOM 0 H SER A 40 -6.327 -0.083 -12.663 1.00 0.00 H new ATOM 0 HA SER A 40 -5.733 -0.669 -9.786 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.986 1.707 -9.750 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.096 0.782 -10.943 1.00 0.00 H new ATOM 0 HG SER A 40 -5.410 2.985 -11.417 1.00 0.00 H new ATOM 688 N GLY A 41 -7.671 0.748 -8.862 1.00 0.00 N ATOM 689 CA GLY A 41 -8.981 1.290 -8.396 1.00 0.00 C ATOM 690 C GLY A 41 -10.052 0.197 -8.478 1.00 0.00 C ATOM 691 O GLY A 41 -10.811 0.135 -9.425 1.00 0.00 O ATOM 0 H GLY A 41 -7.005 0.526 -8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.893 1.649 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.271 2.143 -9.009 1.00 0.00 H new ATOM 695 N GLN A 42 -10.111 -0.672 -7.501 1.00 0.00 N ATOM 696 CA GLN A 42 -11.128 -1.768 -7.535 1.00 0.00 C ATOM 697 C GLN A 42 -11.830 -1.894 -6.178 1.00 0.00 C ATOM 698 O GLN A 42 -12.429 -2.908 -5.878 1.00 0.00 O ATOM 699 CB GLN A 42 -10.434 -3.092 -7.865 1.00 0.00 C ATOM 700 CG GLN A 42 -9.761 -2.992 -9.234 1.00 0.00 C ATOM 701 CD GLN A 42 -8.248 -3.138 -9.066 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.750 -4.223 -8.843 1.00 0.00 O ATOM 703 NE2 GLN A 42 -7.492 -2.079 -9.157 1.00 0.00 N ATOM 0 H GLN A 42 -9.501 -0.671 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.871 -1.532 -8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.693 -3.326 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.160 -3.905 -7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.141 -3.769 -9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.996 -2.034 -9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.911 -1.168 -9.344 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.482 -2.162 -9.041 1.00 0.00 H new ATOM 712 N ALA A 43 -11.763 -0.888 -5.351 1.00 0.00 N ATOM 713 CA ALA A 43 -12.430 -0.984 -4.020 1.00 0.00 C ATOM 714 C ALA A 43 -13.948 -0.863 -4.193 1.00 0.00 C ATOM 715 O ALA A 43 -14.449 0.118 -4.704 1.00 0.00 O ATOM 716 CB ALA A 43 -11.932 0.141 -3.110 1.00 0.00 C ATOM 0 H ALA A 43 -11.279 -0.009 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.191 -1.948 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.422 0.067 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.853 0.053 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.166 1.105 -3.562 1.00 0.00 H new ATOM 722 N GLU A 44 -14.681 -1.857 -3.767 1.00 0.00 N ATOM 723 CA GLU A 44 -16.166 -1.804 -3.903 1.00 0.00 C ATOM 724 C GLU A 44 -16.733 -0.711 -2.993 1.00 0.00 C ATOM 725 O GLU A 44 -17.691 -0.044 -3.332 1.00 0.00 O ATOM 726 CB GLU A 44 -16.759 -3.157 -3.502 1.00 0.00 C ATOM 727 CG GLU A 44 -16.291 -4.232 -4.486 1.00 0.00 C ATOM 728 CD GLU A 44 -16.936 -5.571 -4.125 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.551 -5.645 -3.073 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.803 -6.499 -4.904 1.00 0.00 O ATOM 0 H GLU A 44 -14.316 -2.703 -3.331 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.425 -1.580 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.449 -3.416 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.848 -3.102 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.560 -3.950 -5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.205 -4.320 -4.456 1.00 0.00 H new ATOM 737 N GLY A 45 -16.153 -0.524 -1.838 1.00 0.00 N ATOM 738 CA GLY A 45 -16.664 0.524 -0.906 1.00 0.00 C ATOM 739 C GLY A 45 -15.899 1.827 -1.136 1.00 0.00 C ATOM 740 O GLY A 45 -16.427 2.784 -1.666 1.00 0.00 O ATOM 0 H GLY A 45 -15.348 -1.051 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.730 0.682 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.544 0.197 0.127 1.00 0.00 H new ATOM 744 N TYR A 46 -14.655 1.870 -0.745 1.00 0.00 N ATOM 745 CA TYR A 46 -13.854 3.108 -0.945 1.00 0.00 C ATOM 746 C TYR A 46 -13.906 3.521 -2.416 1.00 0.00 C ATOM 747 O TYR A 46 -13.991 2.692 -3.300 1.00 0.00 O ATOM 748 CB TYR A 46 -12.404 2.844 -0.537 1.00 0.00 C ATOM 749 CG TYR A 46 -11.524 3.956 -1.053 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.351 5.125 -0.303 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.881 3.814 -2.289 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.533 6.152 -0.789 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.063 4.839 -2.774 1.00 0.00 C ATOM 754 CZ TYR A 46 -9.889 6.009 -2.025 1.00 0.00 C ATOM 755 OH TYR A 46 -9.083 7.022 -2.504 1.00 0.00 O ATOM 0 H TYR A 46 -14.159 1.100 -0.295 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.265 3.910 -0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.327 2.779 0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.071 1.887 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -11.848 5.235 0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.017 2.912 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.398 7.054 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.566 4.728 -3.726 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.401 6.644 -3.098 1.00 0.00 H new ATOM 765 N SER A 47 -13.862 4.798 -2.681 1.00 0.00 N ATOM 766 CA SER A 47 -13.914 5.275 -4.092 1.00 0.00 C ATOM 767 C SER A 47 -12.589 5.948 -4.454 1.00 0.00 C ATOM 768 O SER A 47 -11.878 6.444 -3.601 1.00 0.00 O ATOM 769 CB SER A 47 -15.054 6.283 -4.246 1.00 0.00 C ATOM 770 OG SER A 47 -14.767 7.439 -3.469 1.00 0.00 O ATOM 0 H SER A 47 -13.792 5.534 -1.978 1.00 0.00 H new ATOM 0 HA SER A 47 -14.084 4.427 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.174 6.556 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.995 5.838 -3.923 1.00 0.00 H new ATOM 0 HG SER A 47 -15.495 8.088 -3.567 1.00 0.00 H new ATOM 776 N TYR A 48 -12.254 5.966 -5.713 1.00 0.00 N ATOM 777 CA TYR A 48 -10.976 6.601 -6.144 1.00 0.00 C ATOM 778 C TYR A 48 -11.268 7.921 -6.857 1.00 0.00 C ATOM 779 O TYR A 48 -12.365 8.160 -7.322 1.00 0.00 O ATOM 780 CB TYR A 48 -10.235 5.665 -7.099 1.00 0.00 C ATOM 781 CG TYR A 48 -9.729 4.468 -6.335 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.605 3.432 -5.996 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.382 4.397 -5.960 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.134 2.325 -5.282 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.911 3.290 -5.246 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.787 2.253 -4.907 1.00 0.00 C ATOM 787 OH TYR A 48 -8.325 1.161 -4.202 1.00 0.00 O ATOM 0 H TYR A 48 -12.813 5.566 -6.467 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.359 6.792 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.900 5.344 -7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.402 6.190 -7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.644 3.486 -6.285 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.706 5.197 -6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.810 1.525 -5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.872 3.236 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.368 1.269 -4.023 1.00 0.00 H new ATOM 797 N THR A 49 -10.289 8.777 -6.948 1.00 0.00 N ATOM 798 CA THR A 49 -10.498 10.086 -7.632 1.00 0.00 C ATOM 799 C THR A 49 -10.638 9.849 -9.137 1.00 0.00 C ATOM 800 O THR A 49 -10.371 10.723 -9.937 1.00 0.00 O ATOM 801 CB THR A 49 -9.296 11.003 -7.370 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.579 11.196 -8.581 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.373 10.367 -6.330 1.00 0.00 C ATOM 0 H THR A 49 -9.350 8.627 -6.578 1.00 0.00 H new ATOM 0 HA THR A 49 -11.402 10.558 -7.247 1.00 0.00 H new ATOM 0 HB THR A 49 -9.651 11.963 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.170 11.601 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.522 11.023 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.921 10.218 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.017 9.405 -6.699 1.00 0.00 H new ATOM 811 N ASP A 50 -11.045 8.666 -9.520 1.00 0.00 N ATOM 812 CA ASP A 50 -11.209 8.334 -10.968 1.00 0.00 C ATOM 813 C ASP A 50 -9.857 8.416 -11.685 1.00 0.00 C ATOM 814 O ASP A 50 -9.630 7.733 -12.662 1.00 0.00 O ATOM 815 CB ASP A 50 -12.208 9.293 -11.628 1.00 0.00 C ATOM 816 CG ASP A 50 -13.576 9.143 -10.959 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.781 8.142 -10.294 1.00 0.00 O ATOM 818 OD2 ASP A 50 -14.395 10.032 -11.124 1.00 0.00 O ATOM 0 H ASP A 50 -11.274 7.905 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.594 7.317 -11.048 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.857 10.321 -11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.287 9.077 -12.693 1.00 0.00 H new ATOM 823 N ALA A 51 -8.953 9.234 -11.216 1.00 0.00 N ATOM 824 CA ALA A 51 -7.630 9.330 -11.891 1.00 0.00 C ATOM 825 C ALA A 51 -6.957 7.958 -11.871 1.00 0.00 C ATOM 826 O ALA A 51 -6.438 7.495 -12.865 1.00 0.00 O ATOM 827 CB ALA A 51 -6.751 10.343 -11.155 1.00 0.00 C ATOM 0 H ALA A 51 -9.073 9.835 -10.401 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.767 9.656 -12.922 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.783 10.412 -11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.235 11.320 -11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.609 10.020 -10.124 1.00 0.00 H new ATOM 833 N ASN A 52 -6.979 7.299 -10.747 1.00 0.00 N ATOM 834 CA ASN A 52 -6.356 5.946 -10.661 1.00 0.00 C ATOM 835 C ASN A 52 -7.009 5.023 -11.694 1.00 0.00 C ATOM 836 O ASN A 52 -6.355 4.215 -12.323 1.00 0.00 O ATOM 837 CB ASN A 52 -6.575 5.384 -9.255 1.00 0.00 C ATOM 838 CG ASN A 52 -5.787 4.087 -9.090 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.685 3.964 -9.586 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.311 3.105 -8.409 1.00 0.00 N ATOM 0 H ASN A 52 -7.401 7.638 -9.883 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.287 6.014 -10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.256 6.112 -8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.636 5.200 -9.088 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.795 2.233 -8.293 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.236 3.210 -7.993 1.00 0.00 H new ATOM 847 N ILE A 53 -8.298 5.134 -11.865 1.00 0.00 N ATOM 848 CA ILE A 53 -9.008 4.263 -12.849 1.00 0.00 C ATOM 849 C ILE A 53 -8.622 4.640 -14.285 1.00 0.00 C ATOM 850 O ILE A 53 -8.441 3.785 -15.129 1.00 0.00 O ATOM 851 CB ILE A 53 -10.518 4.431 -12.672 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.909 4.054 -11.241 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.252 3.519 -13.657 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.394 4.348 -11.023 1.00 0.00 C ATOM 0 H ILE A 53 -8.894 5.793 -11.364 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.721 3.227 -12.671 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.793 5.468 -12.863 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.707 2.998 -11.064 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.307 4.618 -10.528 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.328 3.639 -13.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.974 3.786 -14.677 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.977 2.482 -13.466 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.672 4.079 -10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.582 5.410 -11.183 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.988 3.765 -11.727 1.00 0.00 H new ATOM 866 N LYS A 54 -8.511 5.909 -14.579 1.00 0.00 N ATOM 867 CA LYS A 54 -8.156 6.324 -15.965 1.00 0.00 C ATOM 868 C LYS A 54 -6.817 5.713 -16.377 1.00 0.00 C ATOM 869 O LYS A 54 -6.626 5.322 -17.512 1.00 0.00 O ATOM 870 CB LYS A 54 -8.060 7.849 -16.032 1.00 0.00 C ATOM 871 CG LYS A 54 -9.452 8.459 -15.856 1.00 0.00 C ATOM 872 CD LYS A 54 -9.369 9.977 -16.021 1.00 0.00 C ATOM 873 CE LYS A 54 -10.737 10.599 -15.735 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.557 11.999 -15.257 1.00 0.00 N ATOM 0 H LYS A 54 -8.651 6.674 -13.919 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.930 5.972 -16.647 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.390 8.216 -15.254 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.636 8.155 -16.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.140 8.040 -16.591 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.847 8.211 -14.871 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.622 10.387 -15.341 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.049 10.226 -17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.349 10.587 -16.637 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.265 10.012 -14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.487 12.422 -15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.988 11.998 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.070 12.556 -15.988 1.00 0.00 H new ATOM 888 N LYS A 55 -5.886 5.625 -15.471 1.00 0.00 N ATOM 889 CA LYS A 55 -4.565 5.038 -15.825 1.00 0.00 C ATOM 890 C LYS A 55 -4.759 3.595 -16.294 1.00 0.00 C ATOM 891 O LYS A 55 -4.030 3.102 -17.132 1.00 0.00 O ATOM 892 CB LYS A 55 -3.644 5.057 -14.601 1.00 0.00 C ATOM 893 CG LYS A 55 -3.497 6.491 -14.074 1.00 0.00 C ATOM 894 CD LYS A 55 -2.784 7.364 -15.112 1.00 0.00 C ATOM 895 CE LYS A 55 -2.283 8.648 -14.444 1.00 0.00 C ATOM 896 NZ LYS A 55 -2.703 9.825 -15.256 1.00 0.00 N ATOM 0 H LYS A 55 -5.981 5.933 -14.503 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.113 5.625 -16.624 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.051 4.414 -13.820 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.666 4.657 -14.866 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.479 6.907 -13.851 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.933 6.488 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.947 6.818 -15.548 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.465 7.608 -15.927 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.686 8.727 -13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.197 8.624 -14.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.364 10.698 -14.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.298 9.750 -16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.741 9.850 -15.321 1.00 0.00 H new ATOM 910 N ASN A 56 -5.730 2.908 -15.756 1.00 0.00 N ATOM 911 CA ASN A 56 -5.954 1.497 -16.172 1.00 0.00 C ATOM 912 C ASN A 56 -4.659 0.714 -15.980 1.00 0.00 C ATOM 913 O ASN A 56 -4.174 0.063 -16.885 1.00 0.00 O ATOM 914 CB ASN A 56 -6.369 1.443 -17.643 1.00 0.00 C ATOM 915 CG ASN A 56 -6.827 0.023 -17.985 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.442 -0.200 -19.009 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.548 -0.955 -17.163 1.00 0.00 N ATOM 0 H ASN A 56 -6.375 3.262 -15.049 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.748 1.061 -15.565 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.174 2.153 -17.832 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.533 1.732 -18.280 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.847 -1.906 -17.381 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.032 -0.767 -16.304 1.00 0.00 H new ATOM 924 N VAL A 57 -4.092 0.784 -14.809 1.00 0.00 N ATOM 925 CA VAL A 57 -2.820 0.062 -14.542 1.00 0.00 C ATOM 926 C VAL A 57 -3.038 -0.965 -13.435 1.00 0.00 C ATOM 927 O VAL A 57 -3.866 -0.791 -12.566 1.00 0.00 O ATOM 928 CB VAL A 57 -1.751 1.058 -14.095 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.216 1.770 -12.825 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.458 0.302 -13.800 1.00 0.00 C ATOM 0 H VAL A 57 -4.459 1.315 -14.019 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.496 -0.442 -15.452 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.582 1.792 -14.883 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.453 2.480 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.146 2.302 -13.026 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.381 1.036 -12.036 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.310 1.006 -13.480 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.635 -0.426 -13.009 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.125 -0.214 -14.700 1.00 0.00 H new ATOM 940 N LEU A 58 -2.301 -2.037 -13.462 1.00 0.00 N ATOM 941 CA LEU A 58 -2.466 -3.074 -12.411 1.00 0.00 C ATOM 942 C LEU A 58 -1.469 -2.822 -11.283 1.00 0.00 C ATOM 943 O LEU A 58 -0.293 -2.633 -11.514 1.00 0.00 O ATOM 944 CB LEU A 58 -2.214 -4.456 -13.015 1.00 0.00 C ATOM 945 CG LEU A 58 -2.331 -5.523 -11.924 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.716 -5.445 -11.285 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.132 -6.907 -12.544 1.00 0.00 C ATOM 0 H LEU A 58 -1.592 -2.240 -14.166 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.480 -3.030 -12.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.934 -4.653 -13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.223 -4.491 -13.467 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.569 -5.353 -11.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.801 -6.204 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.859 -4.458 -10.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.478 -5.617 -12.045 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.215 -7.668 -11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.894 -7.078 -13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.144 -6.962 -13.002 1.00 0.00 H new ATOM 959 N TRP A 59 -1.926 -2.827 -10.061 1.00 0.00 N ATOM 960 CA TRP A 59 -1.000 -2.598 -8.920 1.00 0.00 C ATOM 961 C TRP A 59 -0.262 -3.898 -8.603 1.00 0.00 C ATOM 962 O TRP A 59 -0.856 -4.952 -8.496 1.00 0.00 O ATOM 963 CB TRP A 59 -1.800 -2.155 -7.694 1.00 0.00 C ATOM 964 CG TRP A 59 -2.108 -0.697 -7.791 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.330 -0.179 -8.018 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.201 0.432 -7.657 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.238 1.204 -8.041 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.943 1.626 -7.821 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.179 0.535 -7.413 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.336 2.877 -7.743 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.793 1.795 -7.335 1.00 0.00 C ATOM 972 CH2 TRP A 59 0.037 2.963 -7.500 1.00 0.00 C ATOM 0 H TRP A 59 -2.901 -2.980 -9.805 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.281 -1.822 -9.182 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.725 -2.728 -7.625 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.232 -2.357 -6.786 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.236 -0.749 -8.159 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.027 1.830 -8.200 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.770 -0.360 -7.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.923 3.775 -7.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.854 1.864 -7.147 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.515 3.929 -7.439 1.00 0.00 H new ATOM 983 N ASP A 60 1.031 -3.830 -8.449 1.00 0.00 N ATOM 984 CA ASP A 60 1.816 -5.057 -8.138 1.00 0.00 C ATOM 985 C ASP A 60 2.926 -4.697 -7.154 1.00 0.00 C ATOM 986 O ASP A 60 3.160 -3.540 -6.867 1.00 0.00 O ATOM 987 CB ASP A 60 2.440 -5.610 -9.422 1.00 0.00 C ATOM 988 CG ASP A 60 1.338 -6.071 -10.378 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.258 -6.379 -9.902 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.593 -6.108 -11.571 1.00 0.00 O ATOM 0 H ASP A 60 1.580 -2.974 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 60 1.160 -5.811 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.051 -4.844 -9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.101 -6.444 -9.186 1.00 0.00 H new ATOM 995 N GLU A 61 3.617 -5.673 -6.637 1.00 0.00 N ATOM 996 CA GLU A 61 4.712 -5.363 -5.678 1.00 0.00 C ATOM 997 C GLU A 61 5.746 -4.480 -6.375 1.00 0.00 C ATOM 998 O GLU A 61 6.300 -3.572 -5.788 1.00 0.00 O ATOM 999 CB GLU A 61 5.374 -6.661 -5.215 1.00 0.00 C ATOM 1000 CG GLU A 61 4.368 -7.493 -4.418 1.00 0.00 C ATOM 1001 CD GLU A 61 5.053 -8.760 -3.898 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.152 -9.040 -4.345 1.00 0.00 O ATOM 1003 OE2 GLU A 61 4.465 -9.427 -3.064 1.00 0.00 O ATOM 0 H GLU A 61 3.473 -6.663 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 61 4.306 -4.842 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.729 -7.227 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.245 -6.437 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.977 -6.910 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.519 -7.758 -5.048 1.00 0.00 H new ATOM 1010 N ASN A 62 6.005 -4.734 -7.629 1.00 0.00 N ATOM 1011 CA ASN A 62 6.996 -3.900 -8.365 1.00 0.00 C ATOM 1012 C ASN A 62 6.468 -2.470 -8.480 1.00 0.00 C ATOM 1013 O ASN A 62 7.183 -1.513 -8.263 1.00 0.00 O ATOM 1014 CB ASN A 62 7.206 -4.479 -9.766 1.00 0.00 C ATOM 1015 CG ASN A 62 7.856 -5.859 -9.656 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.412 -6.203 -8.632 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.810 -6.671 -10.677 1.00 0.00 N ATOM 0 H ASN A 62 5.574 -5.481 -8.174 1.00 0.00 H new ATOM 0 HA ASN A 62 7.944 -3.897 -7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.251 -4.556 -10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.837 -3.814 -10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.241 -7.594 -10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.343 -6.383 -11.537 1.00 0.00 H new ATOM 1024 N ASN A 63 5.217 -2.322 -8.816 1.00 0.00 N ATOM 1025 CA ASN A 63 4.634 -0.956 -8.939 1.00 0.00 C ATOM 1026 C ASN A 63 4.695 -0.262 -7.580 1.00 0.00 C ATOM 1027 O ASN A 63 4.954 0.921 -7.482 1.00 0.00 O ATOM 1028 CB ASN A 63 3.174 -1.058 -9.381 1.00 0.00 C ATOM 1029 CG ASN A 63 3.095 -1.702 -10.765 1.00 0.00 C ATOM 1030 OD1 ASN A 63 4.061 -1.705 -11.503 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.977 -2.255 -11.150 1.00 0.00 N ATOM 0 H ASN A 63 4.572 -3.088 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 63 5.199 -0.385 -9.676 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.607 -1.650 -8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.722 -0.067 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.914 -2.690 -12.070 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.167 -2.252 -10.530 1.00 0.00 H new ATOM 1038 N MET A 64 4.455 -0.996 -6.529 1.00 0.00 N ATOM 1039 CA MET A 64 4.493 -0.391 -5.172 1.00 0.00 C ATOM 1040 C MET A 64 5.885 0.181 -4.905 1.00 0.00 C ATOM 1041 O MET A 64 6.031 1.222 -4.297 1.00 0.00 O ATOM 1042 CB MET A 64 4.163 -1.463 -4.132 1.00 0.00 C ATOM 1043 CG MET A 64 2.679 -1.819 -4.220 1.00 0.00 C ATOM 1044 SD MET A 64 1.687 -0.388 -3.721 1.00 0.00 S ATOM 1045 CE MET A 64 0.070 -1.049 -4.192 1.00 0.00 C ATOM 0 H MET A 64 4.234 -1.991 -6.554 1.00 0.00 H new ATOM 0 HA MET A 64 3.760 0.413 -5.108 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.772 -2.351 -4.304 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.402 -1.101 -3.132 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.424 -2.115 -5.238 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.459 -2.670 -3.576 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.535 -0.254 -4.629 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.202 -1.848 -4.922 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.433 -1.444 -3.309 1.00 0.00 H new ATOM 1055 N SER A 65 6.912 -0.483 -5.361 1.00 0.00 N ATOM 1056 CA SER A 65 8.286 0.043 -5.133 1.00 0.00 C ATOM 1057 C SER A 65 8.397 1.422 -5.780 1.00 0.00 C ATOM 1058 O SER A 65 8.956 2.343 -5.216 1.00 0.00 O ATOM 1059 CB SER A 65 9.310 -0.903 -5.762 1.00 0.00 C ATOM 1060 OG SER A 65 9.108 -2.216 -5.257 1.00 0.00 O ATOM 0 H SER A 65 6.859 -1.361 -5.878 1.00 0.00 H new ATOM 0 HA SER A 65 8.482 0.118 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.208 -0.899 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.321 -0.565 -5.536 1.00 0.00 H new ATOM 0 HG SER A 65 9.762 -2.825 -5.659 1.00 0.00 H new ATOM 1066 N GLU A 66 7.852 1.574 -6.954 1.00 0.00 N ATOM 1067 CA GLU A 66 7.905 2.890 -7.640 1.00 0.00 C ATOM 1068 C GLU A 66 7.020 3.885 -6.888 1.00 0.00 C ATOM 1069 O GLU A 66 7.308 5.062 -6.818 1.00 0.00 O ATOM 1070 CB GLU A 66 7.396 2.733 -9.073 1.00 0.00 C ATOM 1071 CG GLU A 66 8.350 1.831 -9.858 1.00 0.00 C ATOM 1072 CD GLU A 66 7.878 1.728 -11.309 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.786 2.194 -11.591 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.614 1.183 -12.115 1.00 0.00 O ATOM 0 H GLU A 66 7.370 0.837 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 66 8.931 3.256 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.394 2.304 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.323 3.709 -9.553 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.362 2.235 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.386 0.840 -9.405 1.00 0.00 H new ATOM 1081 N TYR A 67 5.940 3.414 -6.327 1.00 0.00 N ATOM 1082 CA TYR A 67 5.027 4.323 -5.577 1.00 0.00 C ATOM 1083 C TYR A 67 5.762 4.953 -4.391 1.00 0.00 C ATOM 1084 O TYR A 67 5.707 6.148 -4.184 1.00 0.00 O ATOM 1085 CB TYR A 67 3.830 3.518 -5.066 1.00 0.00 C ATOM 1086 CG TYR A 67 3.013 4.373 -4.129 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.070 5.273 -4.634 1.00 0.00 C ATOM 1088 CD2 TYR A 67 3.210 4.266 -2.750 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.321 6.065 -3.753 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.464 5.056 -1.872 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.519 5.956 -2.373 1.00 0.00 C ATOM 1092 OH TYR A 67 0.782 6.737 -1.506 1.00 0.00 O ATOM 0 H TYR A 67 5.650 2.437 -6.356 1.00 0.00 H new ATOM 0 HA TYR A 67 4.687 5.117 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.216 3.188 -5.904 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.174 2.621 -4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.919 5.358 -5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.940 3.571 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.590 6.760 -4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.617 4.971 -0.806 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.094 6.928 -1.902 1.00 0.00 H new ATOM 1102 N LEU A 68 6.447 4.164 -3.611 1.00 0.00 N ATOM 1103 CA LEU A 68 7.177 4.727 -2.444 1.00 0.00 C ATOM 1104 C LEU A 68 8.345 5.588 -2.925 1.00 0.00 C ATOM 1105 O LEU A 68 8.610 6.646 -2.390 1.00 0.00 O ATOM 1106 CB LEU A 68 7.698 3.579 -1.579 1.00 0.00 C ATOM 1107 CG LEU A 68 6.514 2.846 -0.940 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.015 1.628 -0.165 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.791 3.790 0.027 1.00 0.00 C ATOM 0 H LEU A 68 6.532 3.155 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 68 6.502 5.350 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.283 2.888 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.362 3.964 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 68 5.830 2.523 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.169 1.111 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.532 0.951 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.702 1.952 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.948 3.269 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.482 4.112 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.428 4.661 -0.518 1.00 0.00 H new ATOM 1121 N THR A 69 9.046 5.143 -3.927 1.00 0.00 N ATOM 1122 CA THR A 69 10.198 5.937 -4.441 1.00 0.00 C ATOM 1123 C THR A 69 9.685 7.164 -5.200 1.00 0.00 C ATOM 1124 O THR A 69 10.254 8.236 -5.123 1.00 0.00 O ATOM 1125 CB THR A 69 11.036 5.069 -5.382 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.265 4.736 -6.528 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.461 3.790 -4.660 1.00 0.00 C ATOM 0 H THR A 69 8.873 4.264 -4.414 1.00 0.00 H new ATOM 0 HA THR A 69 10.812 6.264 -3.602 1.00 0.00 H new ATOM 0 HB THR A 69 11.925 5.620 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.801 4.181 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.058 3.174 -5.332 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.054 4.048 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.575 3.236 -4.350 1.00 0.00 H new ATOM 1135 N ASN A 70 8.616 7.018 -5.937 1.00 0.00 N ATOM 1136 CA ASN A 70 8.073 8.178 -6.701 1.00 0.00 C ATOM 1137 C ASN A 70 6.547 8.081 -6.775 1.00 0.00 C ATOM 1138 O ASN A 70 5.998 7.064 -7.146 1.00 0.00 O ATOM 1139 CB ASN A 70 8.652 8.169 -8.118 1.00 0.00 C ATOM 1140 CG ASN A 70 10.177 8.266 -8.050 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.715 9.006 -7.250 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.901 7.545 -8.862 1.00 0.00 N ATOM 0 H ASN A 70 8.096 6.147 -6.043 1.00 0.00 H new ATOM 0 HA ASN A 70 8.351 9.103 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.358 7.256 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.250 9.004 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.919 7.602 -8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.449 6.924 -9.533 1.00 0.00 H new ATOM 1149 N HIS A 71 5.858 9.135 -6.429 1.00 0.00 N ATOM 1150 CA HIS A 71 4.371 9.105 -6.485 1.00 0.00 C ATOM 1151 C HIS A 71 3.839 10.537 -6.595 1.00 0.00 C ATOM 1152 O HIS A 71 4.200 11.402 -5.823 1.00 0.00 O ATOM 1153 CB HIS A 71 3.831 8.457 -5.212 1.00 0.00 C ATOM 1154 CG HIS A 71 4.619 8.943 -4.026 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.045 9.706 -3.020 1.00 0.00 N ATOM 1156 CD2 HIS A 71 5.936 8.782 -3.670 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.006 9.975 -2.115 1.00 0.00 C ATOM 1158 NE2 HIS A 71 6.174 9.435 -2.466 1.00 0.00 N ATOM 0 H HIS A 71 6.262 10.015 -6.110 1.00 0.00 H new ATOM 0 HA HIS A 71 4.048 8.529 -7.352 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.776 8.702 -5.086 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.899 7.372 -5.287 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.673 8.233 -4.238 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.850 10.555 -1.218 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.057 9.490 -1.958 1.00 0.00 H new ATOM 1167 N ALA A 72 2.982 10.793 -7.547 1.00 0.00 N ATOM 1168 CA ALA A 72 2.429 12.170 -7.699 1.00 0.00 C ATOM 1169 C ALA A 72 1.598 12.255 -8.983 1.00 0.00 C ATOM 1170 O ALA A 72 0.486 11.777 -9.041 1.00 0.00 O ATOM 1171 CB ALA A 72 3.578 13.181 -7.765 1.00 0.00 C ATOM 0 H ALA A 72 2.642 10.110 -8.224 1.00 0.00 H new ATOM 0 HA ALA A 72 1.794 12.398 -6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.172 14.186 -7.876 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.164 13.126 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.216 12.951 -8.618 1.00 0.00 H new ATOM 1177 N LYS A 73 2.124 12.864 -10.011 1.00 0.00 N ATOM 1178 CA LYS A 73 1.354 12.982 -11.284 1.00 0.00 C ATOM 1179 C LYS A 73 0.966 11.588 -11.785 1.00 0.00 C ATOM 1180 O LYS A 73 -0.072 11.400 -12.388 1.00 0.00 O ATOM 1181 CB LYS A 73 2.214 13.680 -12.339 1.00 0.00 C ATOM 1182 CG LYS A 73 2.496 15.118 -11.898 1.00 0.00 C ATOM 1183 CD LYS A 73 3.255 15.853 -13.005 1.00 0.00 C ATOM 1184 CE LYS A 73 3.638 17.252 -12.520 1.00 0.00 C ATOM 1185 NZ LYS A 73 4.598 17.138 -11.387 1.00 0.00 N ATOM 0 H LYS A 73 3.053 13.285 -10.025 1.00 0.00 H new ATOM 0 HA LYS A 73 0.451 13.566 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.151 13.140 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.702 13.677 -13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.560 15.633 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.082 15.119 -10.979 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.150 15.294 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.636 15.924 -13.900 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.086 17.821 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.748 17.795 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.125 18.029 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.077 16.944 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.264 16.361 -11.573 1.00 0.00 H new ATOM 1199 N TYR A 74 1.793 10.613 -11.542 1.00 0.00 N ATOM 1200 CA TYR A 74 1.483 9.229 -12.002 1.00 0.00 C ATOM 1201 C TYR A 74 0.109 8.793 -11.478 1.00 0.00 C ATOM 1202 O TYR A 74 -0.671 8.191 -12.188 1.00 0.00 O ATOM 1203 CB TYR A 74 2.562 8.284 -11.474 1.00 0.00 C ATOM 1204 CG TYR A 74 2.024 6.878 -11.398 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.331 6.327 -12.482 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.219 6.127 -10.236 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.833 5.021 -12.401 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.724 4.822 -10.152 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.030 4.267 -11.235 1.00 0.00 C ATOM 1210 OH TYR A 74 0.540 2.980 -11.155 1.00 0.00 O ATOM 0 H TYR A 74 2.676 10.714 -11.042 1.00 0.00 H new ATOM 0 HA TYR A 74 1.463 9.201 -13.091 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.434 8.314 -12.127 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.891 8.610 -10.487 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.181 6.908 -13.380 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.753 6.555 -9.401 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.297 4.594 -13.236 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.876 4.243 -9.253 1.00 0.00 H new ATOM 0 HH TYR A 74 0.764 2.598 -10.281 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.190 9.091 -10.244 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.511 8.695 -9.668 1.00 0.00 C ATOM 1222 C ILE A 75 -2.237 9.941 -9.157 1.00 0.00 C ATOM 1223 O ILE A 75 -1.636 10.975 -8.961 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.270 7.741 -8.495 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.137 7.973 -7.954 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.403 6.289 -8.962 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.260 7.320 -6.581 1.00 0.00 C ATOM 0 H ILE A 75 0.425 9.594 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.117 8.207 -10.432 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.008 7.929 -7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.876 7.554 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.340 9.041 -7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.230 5.619 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.406 6.124 -9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.669 6.089 -9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.264 7.483 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.470 7.760 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.074 6.250 -6.669 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.520 9.846 -8.925 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.327 10.977 -8.414 1.00 0.00 C ATOM 1241 C PRO A 76 -3.523 11.870 -7.463 1.00 0.00 C ATOM 1242 O PRO A 76 -2.571 11.435 -6.845 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.477 10.287 -7.664 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.432 8.828 -8.043 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.361 8.666 -9.123 1.00 0.00 C ATOM 0 HA PRO A 76 -4.664 11.637 -9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.365 10.410 -6.587 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.436 10.728 -7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.196 8.213 -7.174 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.403 8.498 -8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.797 7.742 -8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.795 8.642 -10.123 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.897 13.115 -7.341 1.00 0.00 N ATOM 1254 CA GLY A 77 -3.152 14.033 -6.433 1.00 0.00 C ATOM 1255 C GLY A 77 -3.327 13.576 -4.982 1.00 0.00 C ATOM 1256 O GLY A 77 -3.027 14.299 -4.053 1.00 0.00 O ATOM 0 H GLY A 77 -4.686 13.536 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.094 14.042 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.518 15.053 -6.550 1.00 0.00 H new ATOM 1260 N THR A 78 -3.815 12.383 -4.782 1.00 0.00 N ATOM 1261 CA THR A 78 -4.015 11.879 -3.395 1.00 0.00 C ATOM 1262 C THR A 78 -2.737 12.078 -2.576 1.00 0.00 C ATOM 1263 O THR A 78 -1.658 11.699 -2.987 1.00 0.00 O ATOM 1264 CB THR A 78 -4.347 10.387 -3.445 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.972 10.001 -2.227 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.059 9.584 -3.639 1.00 0.00 C ATOM 0 H THR A 78 -4.084 11.734 -5.521 1.00 0.00 H new ATOM 0 HA THR A 78 -4.832 12.430 -2.929 1.00 0.00 H new ATOM 0 HB THR A 78 -5.023 10.191 -4.277 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.435 9.308 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.295 8.520 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.582 9.881 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.381 9.777 -2.808 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.856 12.655 -1.411 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.656 12.863 -0.553 1.00 0.00 C ATOM 1276 C LYS A 79 -1.695 11.848 0.590 1.00 0.00 C ATOM 1277 O LYS A 79 -2.741 11.581 1.150 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.674 14.283 0.023 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.816 15.306 -1.109 1.00 0.00 C ATOM 1280 CD LYS A 79 -0.580 15.261 -2.013 1.00 0.00 C ATOM 1281 CE LYS A 79 -0.550 16.511 -2.896 1.00 0.00 C ATOM 1282 NZ LYS A 79 0.510 16.359 -3.933 1.00 0.00 N ATOM 0 H LYS A 79 -3.734 12.992 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.749 12.730 -1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.501 14.389 0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.756 14.470 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.712 15.093 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.937 16.306 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.325 15.208 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.602 14.365 -2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.520 16.658 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.356 17.395 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.532 17.207 -4.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.434 16.239 -3.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.305 15.525 -4.519 1.00 0.00 H new ATOM 1296 N MET A 80 -0.573 11.271 0.934 1.00 0.00 N ATOM 1297 CA MET A 80 -0.559 10.263 2.035 1.00 0.00 C ATOM 1298 C MET A 80 0.303 10.774 3.193 1.00 0.00 C ATOM 1299 O MET A 80 1.400 11.260 3.000 1.00 0.00 O ATOM 1300 CB MET A 80 0.017 8.947 1.496 1.00 0.00 C ATOM 1301 CG MET A 80 -0.363 7.774 2.409 1.00 0.00 C ATOM 1302 SD MET A 80 -0.632 6.301 1.393 1.00 0.00 S ATOM 1303 CE MET A 80 1.091 5.765 1.292 1.00 0.00 C ATOM 0 H MET A 80 0.332 11.454 0.501 1.00 0.00 H new ATOM 0 HA MET A 80 -1.573 10.098 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.357 8.766 0.488 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.102 9.022 1.424 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.428 7.591 3.136 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.265 8.012 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.157 4.864 0.682 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.691 6.554 0.839 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.466 5.554 2.294 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.194 10.672 4.396 1.00 0.00 N ATOM 1314 CA ALA A 81 0.580 11.155 5.577 1.00 0.00 C ATOM 1315 C ALA A 81 1.800 10.260 5.818 1.00 0.00 C ATOM 1316 O ALA A 81 2.780 10.682 6.398 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.319 11.128 6.814 1.00 0.00 C ATOM 0 H ALA A 81 -1.107 10.273 4.613 1.00 0.00 H new ATOM 0 HA ALA A 81 0.921 12.172 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.242 11.480 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.180 11.776 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.661 10.109 6.993 1.00 0.00 H new ATOM 1323 N PHE A 82 1.749 9.026 5.393 1.00 0.00 N ATOM 1324 CA PHE A 82 2.910 8.116 5.623 1.00 0.00 C ATOM 1325 C PHE A 82 4.184 8.765 5.078 1.00 0.00 C ATOM 1326 O PHE A 82 5.229 8.711 5.695 1.00 0.00 O ATOM 1327 CB PHE A 82 2.672 6.783 4.909 1.00 0.00 C ATOM 1328 CG PHE A 82 3.727 5.787 5.337 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.568 5.076 6.533 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.862 5.571 4.541 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.540 4.151 6.935 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.833 4.643 4.945 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.670 3.935 6.141 1.00 0.00 C ATOM 0 H PHE A 82 0.959 8.610 4.899 1.00 0.00 H new ATOM 0 HA PHE A 82 3.020 7.938 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.679 6.402 5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.708 6.925 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.695 5.241 7.146 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.988 6.118 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.416 3.605 7.858 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.707 4.475 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.418 3.221 6.451 1.00 0.00 H new ATOM 1343 N GLY A 83 4.109 9.376 3.927 1.00 0.00 N ATOM 1344 CA GLY A 83 5.323 10.021 3.354 1.00 0.00 C ATOM 1345 C GLY A 83 6.387 8.955 3.097 1.00 0.00 C ATOM 1346 O GLY A 83 6.229 8.101 2.248 1.00 0.00 O ATOM 0 H GLY A 83 3.264 9.456 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.073 10.533 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.706 10.776 4.041 1.00 0.00 H new ATOM 1350 N GLY A 84 7.470 8.998 3.828 1.00 0.00 N ATOM 1351 CA GLY A 84 8.549 7.987 3.635 1.00 0.00 C ATOM 1352 C GLY A 84 8.804 7.260 4.956 1.00 0.00 C ATOM 1353 O GLY A 84 8.393 7.707 6.009 1.00 0.00 O ATOM 0 H GLY A 84 7.653 9.692 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.260 7.273 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.462 8.474 3.293 1.00 0.00 H new ATOM 1357 N LEU A 85 9.476 6.143 4.909 1.00 0.00 N ATOM 1358 CA LEU A 85 9.753 5.383 6.162 1.00 0.00 C ATOM 1359 C LEU A 85 11.208 5.599 6.583 1.00 0.00 C ATOM 1360 O LEU A 85 12.121 5.467 5.792 1.00 0.00 O ATOM 1361 CB LEU A 85 9.492 3.894 5.911 1.00 0.00 C ATOM 1362 CG LEU A 85 9.746 3.092 7.190 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.884 3.637 8.330 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.382 1.627 6.941 1.00 0.00 C ATOM 0 H LEU A 85 9.846 5.723 4.056 1.00 0.00 H new ATOM 0 HA LEU A 85 9.101 5.735 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.464 3.748 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.139 3.533 5.112 1.00 0.00 H new ATOM 0 HG LEU A 85 10.797 3.176 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.071 3.060 9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.134 4.683 8.508 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.831 3.557 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.560 1.049 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.330 1.555 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.996 1.232 6.132 1.00 0.00 H new ATOM 1376 N LYS A 86 11.429 5.939 7.825 1.00 0.00 N ATOM 1377 CA LYS A 86 12.822 6.175 8.301 1.00 0.00 C ATOM 1378 C LYS A 86 13.666 4.918 8.088 1.00 0.00 C ATOM 1379 O LYS A 86 14.829 4.993 7.741 1.00 0.00 O ATOM 1380 CB LYS A 86 12.797 6.524 9.791 1.00 0.00 C ATOM 1381 CG LYS A 86 12.055 7.847 9.994 1.00 0.00 C ATOM 1382 CD LYS A 86 12.129 8.252 11.468 1.00 0.00 C ATOM 1383 CE LYS A 86 11.286 9.508 11.694 1.00 0.00 C ATOM 1384 NZ LYS A 86 9.975 9.126 12.290 1.00 0.00 N ATOM 0 H LYS A 86 10.703 6.063 8.531 1.00 0.00 H new ATOM 0 HA LYS A 86 13.259 6.999 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.306 5.730 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.814 6.603 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.497 8.624 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.015 7.744 9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.767 7.440 12.098 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.164 8.440 11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.811 10.197 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.130 10.029 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.402 9.980 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.474 8.484 11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.133 8.647 13.199 1.00 0.00 H new ATOM 1398 N LYS A 87 13.097 3.761 8.290 1.00 0.00 N ATOM 1399 CA LYS A 87 13.882 2.508 8.095 1.00 0.00 C ATOM 1400 C LYS A 87 13.553 1.917 6.723 1.00 0.00 C ATOM 1401 O LYS A 87 12.473 1.410 6.494 1.00 0.00 O ATOM 1402 CB LYS A 87 13.514 1.501 9.188 1.00 0.00 C ATOM 1403 CG LYS A 87 13.685 2.140 10.571 1.00 0.00 C ATOM 1404 CD LYS A 87 15.161 2.460 10.822 1.00 0.00 C ATOM 1405 CE LYS A 87 15.374 2.738 12.311 1.00 0.00 C ATOM 1406 NZ LYS A 87 16.827 2.932 12.578 1.00 0.00 N ATOM 0 H LYS A 87 12.128 3.629 8.580 1.00 0.00 H new ATOM 0 HA LYS A 87 14.948 2.729 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.484 1.170 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.146 0.617 9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.091 3.052 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.315 1.463 11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.785 1.625 10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.462 3.326 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.817 3.626 12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.992 1.908 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.972 3.121 13.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.347 2.073 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.178 3.738 12.022 1.00 0.00 H new ATOM 1420 N GLU A 88 14.479 1.982 5.807 1.00 0.00 N ATOM 1421 CA GLU A 88 14.228 1.431 4.446 1.00 0.00 C ATOM 1422 C GLU A 88 14.044 -0.087 4.521 1.00 0.00 C ATOM 1423 O GLU A 88 13.244 -0.659 3.806 1.00 0.00 O ATOM 1424 CB GLU A 88 15.419 1.753 3.540 1.00 0.00 C ATOM 1425 CG GLU A 88 15.108 1.313 2.107 1.00 0.00 C ATOM 1426 CD GLU A 88 14.010 2.208 1.527 1.00 0.00 C ATOM 1427 OE1 GLU A 88 13.875 3.326 1.996 1.00 0.00 O ATOM 1428 OE2 GLU A 88 13.325 1.759 0.624 1.00 0.00 O ATOM 0 H GLU A 88 15.402 2.394 5.943 1.00 0.00 H new ATOM 0 HA GLU A 88 13.322 1.882 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.629 2.822 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.312 1.244 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.006 1.376 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.787 0.271 2.096 1.00 0.00 H new ATOM 1435 N LYS A 89 14.781 -0.749 5.372 1.00 0.00 N ATOM 1436 CA LYS A 89 14.645 -2.230 5.475 1.00 0.00 C ATOM 1437 C LYS A 89 13.205 -2.590 5.844 1.00 0.00 C ATOM 1438 O LYS A 89 12.602 -3.466 5.254 1.00 0.00 O ATOM 1439 CB LYS A 89 15.592 -2.755 6.555 1.00 0.00 C ATOM 1440 CG LYS A 89 15.548 -4.285 6.576 1.00 0.00 C ATOM 1441 CD LYS A 89 16.447 -4.808 7.698 1.00 0.00 C ATOM 1442 CE LYS A 89 16.504 -6.335 7.640 1.00 0.00 C ATOM 1443 NZ LYS A 89 15.376 -6.904 8.430 1.00 0.00 N ATOM 0 H LYS A 89 15.469 -0.330 5.998 1.00 0.00 H new ATOM 0 HA LYS A 89 14.897 -2.683 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.608 -2.413 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.304 -2.359 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.524 -4.628 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.879 -4.682 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.450 -4.393 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.063 -4.485 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.444 -6.673 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.455 -6.690 8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.414 -7.943 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.452 -6.592 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.473 -6.576 8.032 1.00 0.00 H new ATOM 1457 N ASP A 90 12.647 -1.918 6.808 1.00 0.00 N ATOM 1458 CA ASP A 90 11.247 -2.217 7.207 1.00 0.00 C ATOM 1459 C ASP A 90 10.316 -1.921 6.033 1.00 0.00 C ATOM 1460 O ASP A 90 9.351 -2.621 5.801 1.00 0.00 O ATOM 1461 CB ASP A 90 10.861 -1.340 8.398 1.00 0.00 C ATOM 1462 CG ASP A 90 11.703 -1.730 9.614 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.329 -2.775 9.567 1.00 0.00 O ATOM 1464 OD2 ASP A 90 11.706 -0.975 10.573 1.00 0.00 O ATOM 0 H ASP A 90 13.100 -1.174 7.338 1.00 0.00 H new ATOM 0 HA ASP A 90 11.160 -3.267 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.019 -0.289 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.801 -1.460 8.623 1.00 0.00 H new ATOM 1469 N ARG A 91 10.596 -0.884 5.292 1.00 0.00 N ATOM 1470 CA ARG A 91 9.725 -0.536 4.137 1.00 0.00 C ATOM 1471 C ARG A 91 9.584 -1.748 3.218 1.00 0.00 C ATOM 1472 O ARG A 91 8.513 -2.044 2.726 1.00 0.00 O ATOM 1473 CB ARG A 91 10.354 0.624 3.361 1.00 0.00 C ATOM 1474 CG ARG A 91 9.402 1.076 2.252 1.00 0.00 C ATOM 1475 CD ARG A 91 10.078 2.163 1.414 1.00 0.00 C ATOM 1476 NE ARG A 91 10.409 3.327 2.283 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.053 4.349 1.790 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.407 4.352 0.533 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.343 5.368 2.551 1.00 0.00 N ATOM 0 H ARG A 91 11.392 -0.263 5.438 1.00 0.00 H new ATOM 0 HA ARG A 91 8.740 -0.242 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.563 1.455 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.307 0.314 2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.133 0.229 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.477 1.457 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.984 1.771 0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.418 2.476 0.605 1.00 0.00 H new ATOM 0 HE ARG A 91 10.132 3.325 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.180 3.556 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.910 5.151 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.066 5.366 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.847 6.166 2.164 1.00 0.00 H new ATOM 1493 N ASN A 92 10.653 -2.457 2.986 1.00 0.00 N ATOM 1494 CA ASN A 92 10.571 -3.650 2.104 1.00 0.00 C ATOM 1495 C ASN A 92 9.611 -4.668 2.720 1.00 0.00 C ATOM 1496 O ASN A 92 8.814 -5.280 2.036 1.00 0.00 O ATOM 1497 CB ASN A 92 11.962 -4.271 1.971 1.00 0.00 C ATOM 1498 CG ASN A 92 12.894 -3.289 1.258 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.442 -2.362 0.616 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.185 -3.454 1.346 1.00 0.00 N ATOM 0 H ASN A 92 11.578 -2.261 3.369 1.00 0.00 H new ATOM 0 HA ASN A 92 10.206 -3.359 1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.359 -4.515 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.903 -5.204 1.411 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.815 -2.805 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.564 -4.232 1.885 1.00 0.00 H new ATOM 1507 N ASP A 93 9.678 -4.847 4.009 1.00 0.00 N ATOM 1508 CA ASP A 93 8.771 -5.818 4.676 1.00 0.00 C ATOM 1509 C ASP A 93 7.318 -5.375 4.491 1.00 0.00 C ATOM 1510 O ASP A 93 6.429 -6.185 4.320 1.00 0.00 O ATOM 1511 CB ASP A 93 9.105 -5.878 6.166 1.00 0.00 C ATOM 1512 CG ASP A 93 10.495 -6.491 6.354 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.014 -7.036 5.394 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.015 -6.405 7.454 1.00 0.00 O ATOM 0 H ASP A 93 10.324 -4.361 4.630 1.00 0.00 H new ATOM 0 HA ASP A 93 8.903 -6.805 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.076 -4.877 6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.359 -6.473 6.693 1.00 0.00 H new ATOM 1519 N LEU A 94 7.071 -4.095 4.529 1.00 0.00 N ATOM 1520 CA LEU A 94 5.676 -3.600 4.359 1.00 0.00 C ATOM 1521 C LEU A 94 5.122 -4.064 3.010 1.00 0.00 C ATOM 1522 O LEU A 94 3.978 -4.457 2.904 1.00 0.00 O ATOM 1523 CB LEU A 94 5.661 -2.068 4.411 1.00 0.00 C ATOM 1524 CG LEU A 94 5.313 -1.593 5.826 1.00 0.00 C ATOM 1525 CD1 LEU A 94 3.873 -1.986 6.160 1.00 0.00 C ATOM 1526 CD2 LEU A 94 6.263 -2.235 6.839 1.00 0.00 C ATOM 0 H LEU A 94 7.775 -3.370 4.670 1.00 0.00 H new ATOM 0 HA LEU A 94 5.057 -3.999 5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.635 -1.677 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.933 -1.679 3.699 1.00 0.00 H new ATOM 0 HG LEU A 94 5.416 -0.509 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.628 -1.647 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.194 -1.521 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.770 -3.070 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.010 -1.893 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.168 -3.320 6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.289 -1.950 6.607 1.00 0.00 H new ATOM 1538 N ILE A 95 5.920 -4.024 1.978 1.00 0.00 N ATOM 1539 CA ILE A 95 5.429 -4.460 0.647 1.00 0.00 C ATOM 1540 C ILE A 95 4.978 -5.919 0.724 1.00 0.00 C ATOM 1541 O ILE A 95 3.938 -6.287 0.215 1.00 0.00 O ATOM 1542 CB ILE A 95 6.559 -4.324 -0.371 1.00 0.00 C ATOM 1543 CG1 ILE A 95 7.032 -2.868 -0.413 1.00 0.00 C ATOM 1544 CG2 ILE A 95 6.045 -4.727 -1.748 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.248 -2.754 -1.334 1.00 0.00 C ATOM 0 H ILE A 95 6.889 -3.708 2.002 1.00 0.00 H new ATOM 0 HA ILE A 95 4.586 -3.839 0.342 1.00 0.00 H new ATOM 0 HB ILE A 95 7.390 -4.970 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.229 -2.224 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.289 -2.529 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.848 -4.632 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.701 -5.761 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.217 -4.077 -2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.585 -1.718 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.051 -3.386 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.975 -3.076 -2.339 1.00 0.00 H new ATOM 1557 N THR A 96 5.752 -6.754 1.357 1.00 0.00 N ATOM 1558 CA THR A 96 5.364 -8.189 1.467 1.00 0.00 C ATOM 1559 C THR A 96 4.023 -8.295 2.198 1.00 0.00 C ATOM 1560 O THR A 96 3.151 -9.050 1.814 1.00 0.00 O ATOM 1561 CB THR A 96 6.437 -8.945 2.254 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.713 -8.657 1.704 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.172 -10.449 2.168 1.00 0.00 C ATOM 0 H THR A 96 6.635 -6.507 1.803 1.00 0.00 H new ATOM 0 HA THR A 96 5.271 -8.622 0.471 1.00 0.00 H new ATOM 0 HB THR A 96 6.410 -8.633 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.411 -8.977 2.312 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.937 -10.986 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.191 -10.670 2.589 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.199 -10.764 1.125 1.00 0.00 H new ATOM 1571 N TYR A 97 3.852 -7.540 3.250 1.00 0.00 N ATOM 1572 CA TYR A 97 2.569 -7.590 4.008 1.00 0.00 C ATOM 1573 C TYR A 97 1.414 -7.145 3.107 1.00 0.00 C ATOM 1574 O TYR A 97 0.327 -7.683 3.167 1.00 0.00 O ATOM 1575 CB TYR A 97 2.660 -6.669 5.228 1.00 0.00 C ATOM 1576 CG TYR A 97 1.352 -6.703 5.980 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.114 -7.707 6.924 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.376 -5.729 5.732 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.101 -7.739 7.621 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.837 -5.762 6.427 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.076 -6.767 7.372 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.274 -6.799 8.058 1.00 0.00 O ATOM 0 H TYR A 97 4.547 -6.890 3.617 1.00 0.00 H new ATOM 0 HA TYR A 97 2.386 -8.612 4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.474 -6.988 5.878 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.884 -5.650 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.867 -8.458 7.116 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.560 -4.953 5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.285 -8.514 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.590 -5.012 6.235 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.838 -6.053 7.766 1.00 0.00 H new ATOM 1592 N LEU A 98 1.637 -6.164 2.276 1.00 0.00 N ATOM 1593 CA LEU A 98 0.546 -5.686 1.377 1.00 0.00 C ATOM 1594 C LEU A 98 -0.026 -6.872 0.600 1.00 0.00 C ATOM 1595 O LEU A 98 -1.227 -7.023 0.471 1.00 0.00 O ATOM 1596 CB LEU A 98 1.113 -4.657 0.388 1.00 0.00 C ATOM 1597 CG LEU A 98 0.893 -3.219 0.890 1.00 0.00 C ATOM 1598 CD1 LEU A 98 -0.525 -2.767 0.546 1.00 0.00 C ATOM 1599 CD2 LEU A 98 1.098 -3.129 2.407 1.00 0.00 C ATOM 0 H LEU A 98 2.526 -5.673 2.180 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.241 -5.224 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.179 -4.836 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.636 -4.782 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 98 1.621 -2.571 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.679 -1.748 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.665 -2.798 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.245 -3.431 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.937 -2.102 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.389 -3.787 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.115 -3.434 2.656 1.00 0.00 H new ATOM 1611 N LYS A 99 0.819 -7.719 0.086 1.00 0.00 N ATOM 1612 CA LYS A 99 0.315 -8.894 -0.676 1.00 0.00 C ATOM 1613 C LYS A 99 -0.579 -9.736 0.235 1.00 0.00 C ATOM 1614 O LYS A 99 -1.624 -10.205 -0.164 1.00 0.00 O ATOM 1615 CB LYS A 99 1.494 -9.742 -1.157 1.00 0.00 C ATOM 1616 CG LYS A 99 0.972 -10.890 -2.026 1.00 0.00 C ATOM 1617 CD LYS A 99 2.152 -11.686 -2.595 1.00 0.00 C ATOM 1618 CE LYS A 99 2.924 -12.365 -1.460 1.00 0.00 C ATOM 1619 NZ LYS A 99 1.967 -12.893 -0.445 1.00 0.00 N ATOM 0 H LYS A 99 1.834 -7.649 0.160 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.256 -8.551 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.190 -9.127 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.044 -10.138 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.331 -11.544 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.362 -10.495 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.790 -12.436 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.815 -11.022 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.533 -13.177 -1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.606 -11.653 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.436 -13.624 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.654 -12.118 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.143 -13.306 -0.927 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.174 -9.930 1.461 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.002 -10.740 2.396 1.00 0.00 C ATOM 1635 C LYS A 100 -2.362 -10.067 2.595 1.00 0.00 C ATOM 1636 O LYS A 100 -3.368 -10.724 2.781 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.291 -10.864 3.745 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.070 -11.830 4.640 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.302 -12.057 5.945 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.298 -10.768 6.767 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.005 -11.089 8.193 1.00 0.00 N ATOM 0 H LYS A 100 0.693 -9.563 1.854 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.148 -11.734 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.727 -11.225 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.218 -9.887 4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.059 -11.425 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.219 -12.779 4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.764 -12.863 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.721 -12.365 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.450 -10.078 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.264 -10.270 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.527 -10.435 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.298 -12.066 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.015 -10.990 8.369 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.404 -8.762 2.567 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.703 -8.059 2.765 1.00 0.00 C ATOM 1657 C ALA A 101 -4.701 -8.512 1.697 1.00 0.00 C ATOM 1658 O ALA A 101 -5.866 -8.705 1.971 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.490 -6.547 2.659 1.00 0.00 C ATOM 0 H ALA A 101 -1.598 -8.155 2.416 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.096 -8.300 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.441 -6.035 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.784 -6.225 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.093 -6.304 1.673 1.00 0.00 H new ATOM 1665 N THR A 102 -4.259 -8.690 0.483 1.00 0.00 N ATOM 1666 CA THR A 102 -5.202 -9.136 -0.582 1.00 0.00 C ATOM 1667 C THR A 102 -5.639 -10.577 -0.307 1.00 0.00 C ATOM 1668 O THR A 102 -6.735 -10.978 -0.646 1.00 0.00 O ATOM 1669 CB THR A 102 -4.526 -9.050 -1.953 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.493 -8.679 -2.925 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.924 -10.406 -2.328 1.00 0.00 C ATOM 0 H THR A 102 -3.294 -8.548 0.183 1.00 0.00 H new ATOM 0 HA THR A 102 -6.077 -8.486 -0.580 1.00 0.00 H new ATOM 0 HB THR A 102 -3.730 -8.306 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.311 -9.151 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.446 -10.334 -3.305 1.00 0.00 H new ATOM 0 HG22 THR A 102 -3.184 -10.694 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.713 -11.157 -2.365 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.792 -11.359 0.304 1.00 0.00 N ATOM 1680 CA GLU A 103 -5.162 -12.772 0.598 1.00 0.00 C ATOM 1681 C GLU A 103 -5.638 -13.453 -0.686 1.00 0.00 C ATOM 1682 O GLU A 103 -4.868 -14.068 -1.397 1.00 0.00 O ATOM 1683 CB GLU A 103 -6.285 -12.800 1.637 1.00 0.00 C ATOM 1684 CG GLU A 103 -6.569 -14.247 2.044 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.758 -14.284 3.006 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -8.304 -13.229 3.282 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -8.103 -15.367 3.450 1.00 0.00 O ATOM 0 H GLU A 103 -3.860 -11.081 0.612 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.293 -13.301 0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.000 -12.215 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.186 -12.343 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.784 -14.849 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.690 -14.681 2.519 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.326 4.694 2.056 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.545 4.655 -1.102 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.237 2.160 1.264 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.127 4.729 5.217 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.439 7.221 2.831 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.968 3.644 0.444 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.555 3.761 -0.797 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.985 2.836 -1.744 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.119 2.069 -1.044 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.068 2.620 0.284 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.537 0.768 -1.478 1.00 0.00 C HETATM 1706 CAA HEC A 104 -2.041 2.961 -3.229 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.531 4.317 -3.718 1.00 0.00 C HETATM 1708 CGA HEC A 104 -2.548 4.927 -4.685 1.00 0.00 C HETATM 1709 O1A HEC A 104 -3.071 4.192 -5.506 1.00 0.00 O HETATM 1710 O2A HEC A 104 -2.788 6.119 -4.586 1.00 0.00 O HETATM 1711 NB HEC A 104 -0.969 3.665 3.031 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.175 2.642 2.552 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.734 2.150 3.568 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.405 2.802 4.721 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.595 3.791 4.355 1.00 0.00 C HETATM 1716 CMB HEC A 104 2.002 1.391 3.318 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.750 2.355 6.115 1.00 0.00 C HETATM 1718 CBB HEC A 104 2.230 1.997 6.297 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.694 5.745 3.663 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.098 5.641 4.898 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.619 6.614 5.823 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.631 7.243 5.183 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.618 6.753 3.827 1.00 0.00 C HETATM 1724 CMC HEC A 104 -1.942 7.090 7.062 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.721 8.027 5.829 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.390 9.515 5.965 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.683 5.716 1.081 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.469 6.746 1.547 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.325 7.271 0.513 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.145 6.477 -0.565 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.081 5.567 -0.230 1.00 0.00 C HETATM 1732 CMD HEC A 104 -5.967 8.616 0.512 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.047 6.380 -1.746 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.390 6.897 -3.027 1.00 0.00 C HETATM 1735 CGD HEC A 104 -5.984 6.169 -4.233 1.00 0.00 C HETATM 1736 O1D HEC A 104 -7.014 5.537 -4.069 1.00 0.00 O HETATM 1737 O2D HEC A 104 -5.400 6.256 -5.300 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.617 8.709 1.382 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.197 9.387 0.550 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.557 8.737 -0.397 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.770 6.246 7.730 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.987 7.547 6.802 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.573 7.826 7.561 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.774 0.468 2.784 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.678 2.000 2.718 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.477 1.152 4.270 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.339 0.051 -1.652 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.028 0.911 -2.399 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.127 0.389 -0.701 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -5.549 7.971 -3.122 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.313 6.737 -2.986 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.493 9.634 6.573 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.218 9.941 4.977 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.223 10.031 6.443 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 2.494 1.184 5.621 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.845 2.869 6.074 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 2.405 1.684 7.326 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.373 4.985 -2.871 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.568 4.198 -4.214 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.345 5.341 -1.888 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -6.957 6.949 -1.553 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.446 2.167 -3.681 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -3.068 2.819 -3.565 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.120 8.034 3.082 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.742 4.745 6.237 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.435 1.342 1.005 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.938 4.641 -2.118 1.00 0.00 H new