USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 883 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 Set 1.1: A 63 ASN : amide:sc= -2.03 K(o=-0.81,f=-3.7!) USER MOD Set 1.2: A 74 TYR OH : rot 10:sc= 1.22 USER MOD Set 2.1: A 48 TYR OH : rot 165:sc= 1.22 USER MOD Set 2.2: A 104 HEC O2A : rot -151:sc= 0.983 USER MOD Set 3.1: A 46 TYR OH : rot 180:sc= 0.0967 USER MOD Set 3.2: A 79 LYS NZ :NH3+ -174:sc= 2 (180deg=0.651) USER MOD Set 3.3: A 104 HEC O2D : rot 177:sc= 1.09 USER MOD Set 4.1: A 40 SER OG : rot 41:sc= 1.27 USER MOD Set 4.2: A 52 ASN : amide:sc= 0.0269 X(o=1.3,f=0.97) USER MOD Set 5.1: A 19 THR OG1 : rot 132:sc= 1.21 USER MOD Set 5.2: A 31 ASN : amide:sc= 1.69 K(o=2.9,f=-1.7) USER MOD Set 6.1: A 8 THR OG1 : rot 180:sc= 0.926 USER MOD Set 6.2: A 11 LYS NZ :NH3+ 152:sc= 1.08 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00135) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 170:sc= -3.31! (180deg=-5.24!) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00524) USER MOD Single : A 26 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.71 (180deg=0.977) USER MOD Single : A 33 HIS : no HE2:sc= 0.426 K(o=0.43,f=-1.7) USER MOD Single : A 39 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.016) USER MOD Single : A 42 GLN : amide:sc= 1.12 K(o=1.1,f=-6.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= -0.226 (180deg=-0.375) USER MOD Single : A 55 LYS NZ :NH3+ -113:sc= 0.272 (180deg=-0.565) USER MOD Single : A 56 ASN : amide:sc= 0.29 X(o=0.29,f=-0.0089) USER MOD Single : A 62 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.35) USER MOD Single : A 64 MET CE :methyl -172:sc= -0.197 (180deg=-0.37) USER MOD Single : A 65 SER OG : rot -39:sc= 1.3 USER MOD Single : A 67 TYR OH : rot -121:sc= 0.166 USER MOD Single : A 69 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 70 ASN : amide:sc= 0.51 K(o=0.51,f=-0.75) USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.943) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0622) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 80 MET CE :methyl -177:sc= -0.48 (180deg=-0.53) 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= 1.68 K(o=1.7,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot 71:sc= 1.48 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0299 USER MOD Single : A 99 LYS NZ :NH3+ -151:sc= 0.743 (180deg=-0.516!) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= 0.849 (180deg=0.631) USER MOD Single : A 102 THR OG1 : rot -172:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -12.278 -15.763 11.097 1.00 0.00 N ATOM 2 CA THR A -5 -12.754 -14.621 10.290 1.00 0.00 C ATOM 3 C THR A -5 -12.112 -13.382 10.866 1.00 0.00 C ATOM 4 O THR A -5 -12.207 -13.171 12.067 1.00 0.00 O ATOM 5 CB THR A -5 -14.284 -14.527 10.212 1.00 0.00 C ATOM 6 OG1 THR A -5 -14.691 -13.777 9.092 1.00 0.00 O ATOM 7 CG2 THR A -5 -15.017 -13.960 11.428 1.00 0.00 C ATOM 0 H1 THR A -5 -12.821 -16.614 10.848 1.00 0.00 H new ATOM 0 H2 THR A -5 -11.269 -15.927 10.905 1.00 0.00 H new ATOM 0 H3 THR A -5 -12.408 -15.552 12.107 1.00 0.00 H new ATOM 0 HA THR A -5 -12.458 -14.750 9.249 1.00 0.00 H new ATOM 0 HB THR A -5 -14.569 -15.577 10.149 1.00 0.00 H new ATOM 0 HG1 THR A -5 -15.670 -13.734 9.065 1.00 0.00 H new ATOM 0 HG21 THR A -5 -16.090 -13.952 11.235 1.00 0.00 H new ATOM 0 HG22 THR A -5 -14.810 -14.581 12.300 1.00 0.00 H new ATOM 0 HG23 THR A -5 -14.675 -12.943 11.618 1.00 0.00 H new ATOM 17 N GLU A -4 -11.369 -12.648 10.049 1.00 0.00 N ATOM 18 CA GLU A -4 -10.315 -11.729 10.493 1.00 0.00 C ATOM 19 C GLU A -4 -10.133 -10.669 9.399 1.00 0.00 C ATOM 20 O GLU A -4 -10.644 -9.560 9.519 1.00 0.00 O ATOM 21 CB GLU A -4 -9.025 -12.534 10.784 1.00 0.00 C ATOM 22 CG GLU A -4 -9.051 -13.440 12.037 1.00 0.00 C ATOM 23 CD GLU A -4 -10.117 -14.552 12.018 1.00 0.00 C ATOM 24 OE1 GLU A -4 -10.379 -15.171 10.961 1.00 0.00 O ATOM 25 OE2 GLU A -4 -10.846 -14.720 13.022 1.00 0.00 O ATOM 0 H GLU A -4 -11.480 -12.671 9.035 1.00 0.00 H new ATOM 0 HA GLU A -4 -10.577 -11.219 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -8.807 -13.156 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -8.199 -11.831 10.887 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -8.070 -13.901 12.153 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -9.216 -12.815 12.915 1.00 0.00 H new ATOM 32 N PHE A -3 -9.550 -11.069 8.272 1.00 0.00 N ATOM 33 CA PHE A -3 -9.914 -10.576 6.944 1.00 0.00 C ATOM 34 C PHE A -3 -11.248 -11.221 6.490 1.00 0.00 C ATOM 35 O PHE A -3 -11.624 -12.310 6.950 1.00 0.00 O ATOM 36 CB PHE A -3 -8.733 -10.929 6.012 1.00 0.00 C ATOM 37 CG PHE A -3 -8.881 -10.630 4.527 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.278 -9.355 4.085 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.562 -11.617 3.575 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.436 -9.099 2.711 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.666 -11.345 2.199 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.124 -10.089 1.765 1.00 0.00 C ATOM 0 H PHE A -3 -8.798 -11.757 8.254 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.081 -9.499 6.931 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -7.852 -10.398 6.373 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -8.530 -11.994 6.120 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.462 -8.570 4.803 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.234 -12.592 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.799 -8.137 2.382 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.394 -12.100 1.477 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.235 -9.886 0.710 1.00 0.00 H new ATOM 52 N LYS A -2 -11.949 -10.601 5.534 1.00 0.00 N ATOM 53 CA LYS A -2 -12.921 -11.270 4.660 1.00 0.00 C ATOM 54 C LYS A -2 -12.907 -10.638 3.265 1.00 0.00 C ATOM 55 O LYS A -2 -13.461 -9.564 3.068 1.00 0.00 O ATOM 56 CB LYS A -2 -14.331 -11.243 5.276 1.00 0.00 C ATOM 57 CG LYS A -2 -15.260 -12.162 4.464 1.00 0.00 C ATOM 58 CD LYS A -2 -16.744 -11.874 4.688 1.00 0.00 C ATOM 59 CE LYS A -2 -17.523 -12.767 3.715 1.00 0.00 C ATOM 60 NZ LYS A -2 -18.974 -12.470 3.727 1.00 0.00 N ATOM 0 H LYS A -2 -11.856 -9.604 5.342 1.00 0.00 H new ATOM 0 HA LYS A -2 -12.631 -12.316 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.293 -11.572 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.720 -10.225 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -15.032 -12.052 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.055 -13.199 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -17.027 -12.087 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -16.965 -10.822 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -17.134 -12.630 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -17.365 -13.813 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -19.462 -13.096 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -19.352 -12.626 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -19.128 -11.479 3.451 1.00 0.00 H new ATOM 74 N ALA A -1 -12.334 -11.344 2.294 1.00 0.00 N ATOM 75 CA ALA A -1 -12.301 -10.922 0.898 1.00 0.00 C ATOM 76 C ALA A -1 -13.688 -10.566 0.325 1.00 0.00 C ATOM 77 O ALA A -1 -14.708 -11.176 0.673 1.00 0.00 O ATOM 78 CB ALA A -1 -11.636 -12.023 0.064 1.00 0.00 C ATOM 0 H ALA A -1 -11.873 -12.239 2.458 1.00 0.00 H new ATOM 0 HA ALA A -1 -11.722 -10.000 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -11.606 -11.719 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -10.620 -12.188 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -12.209 -12.946 0.157 1.00 0.00 H new ATOM 84 N GLY A 1 -13.693 -9.601 -0.598 1.00 0.00 N ATOM 85 CA GLY A 1 -14.897 -9.068 -1.248 1.00 0.00 C ATOM 86 C GLY A 1 -14.935 -9.372 -2.745 1.00 0.00 C ATOM 87 O GLY A 1 -15.551 -10.342 -3.179 1.00 0.00 O ATOM 0 H GLY A 1 -12.836 -9.155 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.781 -9.492 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.940 -7.989 -1.098 1.00 0.00 H new ATOM 91 N SER A 2 -14.287 -8.542 -3.560 1.00 0.00 N ATOM 92 CA SER A 2 -14.130 -8.710 -5.006 1.00 0.00 C ATOM 93 C SER A 2 -12.927 -7.925 -5.529 1.00 0.00 C ATOM 94 O SER A 2 -12.852 -6.704 -5.394 1.00 0.00 O ATOM 95 CB SER A 2 -15.388 -8.213 -5.714 1.00 0.00 C ATOM 96 OG SER A 2 -15.274 -8.394 -7.116 1.00 0.00 O ATOM 0 H SER A 2 -13.836 -7.694 -3.216 1.00 0.00 H new ATOM 0 HA SER A 2 -13.970 -9.769 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.259 -8.752 -5.342 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.546 -7.158 -5.489 1.00 0.00 H new ATOM 0 HG SER A 2 -16.089 -8.072 -7.555 1.00 0.00 H new ATOM 102 N ALA A 3 -12.006 -8.593 -6.233 1.00 0.00 N ATOM 103 CA ALA A 3 -10.818 -7.930 -6.784 1.00 0.00 C ATOM 104 C ALA A 3 -11.126 -6.768 -7.759 1.00 0.00 C ATOM 105 O ALA A 3 -10.264 -5.924 -7.980 1.00 0.00 O ATOM 106 CB ALA A 3 -9.915 -8.983 -7.435 1.00 0.00 C ATOM 0 H ALA A 3 -12.060 -9.591 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.303 -7.453 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.030 -8.499 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.613 -9.716 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.459 -9.485 -8.235 1.00 0.00 H new ATOM 112 N LYS A 4 -12.345 -6.665 -8.322 1.00 0.00 N ATOM 113 CA LYS A 4 -12.762 -5.514 -9.158 1.00 0.00 C ATOM 114 C LYS A 4 -13.406 -4.338 -8.419 1.00 0.00 C ATOM 115 O LYS A 4 -13.420 -3.231 -8.960 1.00 0.00 O ATOM 116 CB LYS A 4 -13.611 -5.974 -10.359 1.00 0.00 C ATOM 117 CG LYS A 4 -12.711 -6.210 -11.585 1.00 0.00 C ATOM 118 CD LYS A 4 -13.519 -6.595 -12.835 1.00 0.00 C ATOM 119 CE LYS A 4 -12.686 -6.491 -14.123 1.00 0.00 C ATOM 120 NZ LYS A 4 -11.510 -7.400 -14.117 1.00 0.00 N ATOM 0 H LYS A 4 -13.070 -7.374 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.823 -5.097 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.144 -6.891 -10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.364 -5.221 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.136 -5.307 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.994 -7.000 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.889 -7.614 -12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.391 -5.946 -12.915 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.318 -6.725 -14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.346 -5.463 -14.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.992 -7.304 -15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.882 -7.150 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.832 -8.383 -14.007 1.00 0.00 H new ATOM 134 N LYS A 5 -13.857 -4.538 -7.182 1.00 0.00 N ATOM 135 CA LYS A 5 -14.245 -3.441 -6.276 1.00 0.00 C ATOM 136 C LYS A 5 -13.002 -2.679 -5.821 1.00 0.00 C ATOM 137 O LYS A 5 -12.876 -1.499 -6.132 1.00 0.00 O ATOM 138 CB LYS A 5 -15.043 -3.955 -5.074 1.00 0.00 C ATOM 139 CG LYS A 5 -16.505 -4.292 -5.406 1.00 0.00 C ATOM 140 CD LYS A 5 -17.249 -4.569 -4.092 1.00 0.00 C ATOM 141 CE LYS A 5 -18.714 -4.963 -4.257 1.00 0.00 C ATOM 142 NZ LYS A 5 -18.838 -6.412 -4.537 1.00 0.00 N ATOM 0 H LYS A 5 -13.967 -5.465 -6.772 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.896 -2.761 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.554 -4.845 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.022 -3.202 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.973 -3.465 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.554 -5.162 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.731 -5.366 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.195 -3.679 -3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.267 -4.714 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.160 -4.391 -5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.842 -6.660 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.328 -6.641 -5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.431 -6.954 -3.748 1.00 0.00 H new ATOM 156 N GLY A 6 -12.047 -3.371 -5.189 1.00 0.00 N ATOM 157 CA GLY A 6 -10.742 -2.792 -4.848 1.00 0.00 C ATOM 158 C GLY A 6 -10.027 -2.145 -6.042 1.00 0.00 C ATOM 159 O GLY A 6 -9.414 -1.092 -5.882 1.00 0.00 O ATOM 0 H GLY A 6 -12.156 -4.343 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.879 -2.043 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.105 -3.573 -4.433 1.00 0.00 H new ATOM 163 N ALA A 7 -10.175 -2.702 -7.251 1.00 0.00 N ATOM 164 CA ALA A 7 -9.699 -2.049 -8.474 1.00 0.00 C ATOM 165 C ALA A 7 -10.348 -0.673 -8.690 1.00 0.00 C ATOM 166 O ALA A 7 -9.649 0.328 -8.860 1.00 0.00 O ATOM 167 CB ALA A 7 -9.928 -2.956 -9.689 1.00 0.00 C ATOM 0 H ALA A 7 -10.622 -3.606 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.629 -1.880 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.569 -2.456 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.385 -3.891 -9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.993 -3.166 -9.791 1.00 0.00 H new ATOM 173 N THR A 8 -11.686 -0.600 -8.712 1.00 0.00 N ATOM 174 CA THR A 8 -12.388 0.675 -8.935 1.00 0.00 C ATOM 175 C THR A 8 -12.218 1.687 -7.790 1.00 0.00 C ATOM 176 O THR A 8 -12.365 2.882 -8.038 1.00 0.00 O ATOM 177 CB THR A 8 -13.858 0.449 -9.335 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.278 1.506 -10.176 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.874 0.372 -8.197 1.00 0.00 C ATOM 0 H THR A 8 -12.302 -1.402 -8.579 1.00 0.00 H new ATOM 0 HA THR A 8 -11.897 1.149 -9.785 1.00 0.00 H new ATOM 0 HB THR A 8 -13.849 -0.531 -9.812 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.213 1.366 -10.435 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.870 0.211 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.617 -0.455 -7.535 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.861 1.305 -7.634 1.00 0.00 H new ATOM 187 N LEU A 9 -11.846 1.236 -6.585 1.00 0.00 N ATOM 188 CA LEU A 9 -11.415 2.074 -5.462 1.00 0.00 C ATOM 189 C LEU A 9 -9.999 2.610 -5.691 1.00 0.00 C ATOM 190 O LEU A 9 -9.799 3.818 -5.790 1.00 0.00 O ATOM 191 CB LEU A 9 -11.473 1.269 -4.151 1.00 0.00 C ATOM 192 CG LEU A 9 -12.900 1.111 -3.619 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.984 -0.066 -2.644 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.370 2.376 -2.895 1.00 0.00 C ATOM 0 H LEU A 9 -11.837 0.241 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.093 2.925 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.039 0.283 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.861 1.765 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.544 0.930 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.006 -0.162 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.695 -0.984 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.312 0.109 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.387 2.230 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.708 2.581 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.350 3.219 -3.586 1.00 0.00 H new ATOM 206 N PHE A 10 -9.013 1.714 -5.797 1.00 0.00 N ATOM 207 CA PHE A 10 -7.587 2.035 -5.981 1.00 0.00 C ATOM 208 C PHE A 10 -7.359 3.076 -7.092 1.00 0.00 C ATOM 209 O PHE A 10 -6.542 3.989 -6.939 1.00 0.00 O ATOM 210 CB PHE A 10 -6.797 0.744 -6.261 1.00 0.00 C ATOM 211 CG PHE A 10 -5.340 0.993 -6.618 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.976 1.238 -7.955 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.353 1.038 -5.616 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.661 1.622 -8.271 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.049 1.467 -5.934 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.712 1.797 -7.254 1.00 0.00 C ATOM 0 H PHE A 10 -9.188 0.710 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.223 2.486 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.843 0.101 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.276 0.203 -7.077 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.709 1.131 -8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.594 0.744 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.381 1.783 -9.302 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.304 1.542 -5.155 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.730 2.183 -7.486 1.00 0.00 H new ATOM 226 N LYS A 11 -8.147 2.979 -8.170 1.00 0.00 N ATOM 227 CA LYS A 11 -8.229 3.913 -9.308 1.00 0.00 C ATOM 228 C LYS A 11 -8.238 5.394 -8.900 1.00 0.00 C ATOM 229 O LYS A 11 -7.594 6.208 -9.553 1.00 0.00 O ATOM 230 CB LYS A 11 -9.504 3.545 -10.079 1.00 0.00 C ATOM 231 CG LYS A 11 -9.749 4.339 -11.373 1.00 0.00 C ATOM 232 CD LYS A 11 -11.186 4.118 -11.870 1.00 0.00 C ATOM 233 CE LYS A 11 -11.425 2.668 -12.315 1.00 0.00 C ATOM 234 NZ LYS A 11 -12.870 2.384 -12.495 1.00 0.00 N ATOM 0 H LYS A 11 -8.789 2.194 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.334 3.809 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.464 2.484 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.360 3.687 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.578 5.401 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.040 4.026 -12.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.887 4.374 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.389 4.791 -12.703 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.898 2.482 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.009 1.986 -11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.991 1.634 -13.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.278 2.072 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.356 3.246 -12.815 1.00 0.00 H new ATOM 248 N THR A 12 -8.949 5.735 -7.824 1.00 0.00 N ATOM 249 CA THR A 12 -9.103 7.109 -7.306 1.00 0.00 C ATOM 250 C THR A 12 -8.739 7.276 -5.833 1.00 0.00 C ATOM 251 O THR A 12 -8.744 8.399 -5.340 1.00 0.00 O ATOM 252 CB THR A 12 -10.514 7.654 -7.584 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.500 6.763 -7.112 1.00 0.00 O ATOM 254 CG2 THR A 12 -10.767 7.854 -9.081 1.00 0.00 C ATOM 0 H THR A 12 -9.452 5.045 -7.266 1.00 0.00 H new ATOM 0 HA THR A 12 -8.373 7.702 -7.857 1.00 0.00 H new ATOM 0 HB THR A 12 -10.573 8.612 -7.067 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.389 7.131 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.775 8.240 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.043 8.564 -9.481 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.663 6.900 -9.598 1.00 0.00 H new ATOM 262 N ARG A 13 -8.365 6.197 -5.131 1.00 0.00 N ATOM 263 CA ARG A 13 -7.859 6.241 -3.749 1.00 0.00 C ATOM 264 C ARG A 13 -6.330 6.317 -3.642 1.00 0.00 C ATOM 265 O ARG A 13 -5.824 6.891 -2.682 1.00 0.00 O ATOM 266 CB ARG A 13 -8.313 4.983 -2.983 1.00 0.00 C ATOM 267 CG ARG A 13 -9.815 4.814 -2.730 1.00 0.00 C ATOM 268 CD ARG A 13 -10.360 5.781 -1.677 1.00 0.00 C ATOM 269 NE ARG A 13 -11.591 5.242 -1.063 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.734 5.863 -0.856 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.969 7.097 -1.226 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.676 5.231 -0.228 1.00 0.00 N ATOM 0 H ARG A 13 -8.406 5.252 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.270 7.156 -3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.964 4.109 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.806 4.975 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.354 4.964 -3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.010 3.790 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.607 5.951 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.569 6.747 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.551 4.268 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.245 7.633 -1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.877 7.522 -1.036 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.523 4.275 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.570 5.690 -0.055 1.00 0.00 H new ATOM 286 N CYS A 14 -5.612 5.688 -4.578 1.00 0.00 N ATOM 287 CA CYS A 14 -4.189 5.359 -4.424 1.00 0.00 C ATOM 288 C CYS A 14 -3.375 5.560 -5.714 1.00 0.00 C ATOM 289 O CYS A 14 -2.239 6.035 -5.651 1.00 0.00 O ATOM 290 CB CYS A 14 -4.063 3.891 -4.024 1.00 0.00 C ATOM 291 SG CYS A 14 -5.192 3.163 -2.790 1.00 0.00 S ATOM 0 H CYS A 14 -6.004 5.390 -5.471 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.792 6.034 -3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.160 3.301 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.048 3.745 -3.656 1.00 0.00 H new ATOM 296 N LEU A 15 -3.942 5.258 -6.897 1.00 0.00 N ATOM 297 CA LEU A 15 -3.308 5.400 -8.222 1.00 0.00 C ATOM 298 C LEU A 15 -2.769 6.822 -8.488 1.00 0.00 C ATOM 299 O LEU A 15 -1.790 7.013 -9.219 1.00 0.00 O ATOM 300 CB LEU A 15 -4.338 4.992 -9.292 1.00 0.00 C ATOM 301 CG LEU A 15 -3.834 4.993 -10.750 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.889 3.840 -11.098 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.018 4.903 -11.714 1.00 0.00 C ATOM 0 H LEU A 15 -4.893 4.894 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.435 4.748 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.702 3.992 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.191 5.667 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.279 5.926 -10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.585 3.921 -12.142 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.007 3.887 -10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.401 2.890 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.652 4.904 -12.741 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.570 3.982 -11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.676 5.758 -11.562 1.00 0.00 H new ATOM 315 N GLN A 16 -3.353 7.838 -7.837 1.00 0.00 N ATOM 316 CA GLN A 16 -2.820 9.204 -7.815 1.00 0.00 C ATOM 317 C GLN A 16 -1.329 9.277 -7.417 1.00 0.00 C ATOM 318 O GLN A 16 -0.611 10.084 -8.005 1.00 0.00 O ATOM 319 CB GLN A 16 -3.724 10.139 -6.991 1.00 0.00 C ATOM 320 CG GLN A 16 -3.847 9.810 -5.496 1.00 0.00 C ATOM 321 CD GLN A 16 -4.805 10.773 -4.790 1.00 0.00 C ATOM 322 OE1 GLN A 16 -5.963 10.911 -5.135 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.372 11.490 -3.776 1.00 0.00 N ATOM 0 H GLN A 16 -4.217 7.731 -7.306 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.839 9.570 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.346 11.157 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.722 10.126 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.202 8.787 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.864 9.864 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.406 11.398 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.002 12.138 -3.304 1.00 0.00 H new ATOM 332 N CYS A 17 -0.834 8.362 -6.576 1.00 0.00 N ATOM 333 CA CYS A 17 0.547 8.304 -6.069 1.00 0.00 C ATOM 334 C CYS A 17 1.312 6.998 -6.371 1.00 0.00 C ATOM 335 O CYS A 17 2.524 6.949 -6.144 1.00 0.00 O ATOM 336 CB CYS A 17 0.519 8.520 -4.554 1.00 0.00 C ATOM 337 SG CYS A 17 -0.098 10.148 -4.029 1.00 0.00 S ATOM 0 H CYS A 17 -1.411 7.604 -6.211 1.00 0.00 H new ATOM 0 HA CYS A 17 1.089 9.088 -6.598 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.104 7.748 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.528 8.386 -4.163 1.00 0.00 H new ATOM 342 N HIS A 18 0.632 5.946 -6.851 1.00 0.00 N ATOM 343 CA HIS A 18 1.147 4.566 -6.954 1.00 0.00 C ATOM 344 C HIS A 18 0.745 3.813 -8.239 1.00 0.00 C ATOM 345 O HIS A 18 -0.082 4.273 -9.018 1.00 0.00 O ATOM 346 CB HIS A 18 0.619 3.772 -5.748 1.00 0.00 C ATOM 347 CG HIS A 18 1.252 4.146 -4.442 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.596 4.125 -4.168 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.590 4.422 -3.278 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.739 4.350 -2.856 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.545 4.543 -2.268 1.00 0.00 N ATOM 0 H HIS A 18 -0.326 6.032 -7.191 1.00 0.00 H new ATOM 0 HA HIS A 18 2.234 4.646 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.458 3.921 -5.673 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.782 2.709 -5.927 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.347 3.967 -4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.479 4.527 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.687 4.373 -2.339 1.00 0.00 H new ATOM 359 N THR A 19 1.285 2.603 -8.403 1.00 0.00 N ATOM 360 CA THR A 19 1.004 1.605 -9.454 1.00 0.00 C ATOM 361 C THR A 19 0.984 0.186 -8.860 1.00 0.00 C ATOM 362 O THR A 19 1.716 -0.071 -7.904 1.00 0.00 O ATOM 363 CB THR A 19 2.071 1.690 -10.547 1.00 0.00 C ATOM 364 OG1 THR A 19 3.356 1.751 -9.972 1.00 0.00 O ATOM 365 CG2 THR A 19 1.910 2.934 -11.420 1.00 0.00 C ATOM 0 H THR A 19 1.991 2.261 -7.751 1.00 0.00 H new ATOM 0 HA THR A 19 0.025 1.819 -9.883 1.00 0.00 H new ATOM 0 HB THR A 19 1.950 0.797 -11.161 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.946 1.110 -10.421 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.691 2.948 -12.180 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.933 2.915 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.991 3.827 -10.800 1.00 0.00 H new ATOM 373 N VAL A 20 0.169 -0.734 -9.395 1.00 0.00 N ATOM 374 CA VAL A 20 0.059 -2.129 -8.885 1.00 0.00 C ATOM 375 C VAL A 20 0.443 -3.208 -9.893 1.00 0.00 C ATOM 376 O VAL A 20 0.760 -4.323 -9.500 1.00 0.00 O ATOM 377 CB VAL A 20 -1.331 -2.463 -8.314 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.751 -1.496 -7.212 1.00 0.00 C ATOM 379 CG2 VAL A 20 -2.444 -2.486 -9.363 1.00 0.00 C ATOM 0 H VAL A 20 -0.437 -0.543 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 20 0.794 -2.145 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.211 -3.469 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.738 -1.773 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.031 -1.541 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.785 -0.482 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.392 -2.729 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.517 -1.507 -9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.217 -3.239 -10.118 1.00 0.00 H new ATOM 389 N GLU A 21 0.451 -2.894 -11.185 1.00 0.00 N ATOM 390 CA GLU A 21 1.095 -3.731 -12.200 1.00 0.00 C ATOM 391 C GLU A 21 2.621 -3.492 -12.152 1.00 0.00 C ATOM 392 O GLU A 21 3.101 -2.618 -11.425 1.00 0.00 O ATOM 393 CB GLU A 21 0.478 -3.439 -13.578 1.00 0.00 C ATOM 394 CG GLU A 21 -1.048 -3.707 -13.593 1.00 0.00 C ATOM 395 CD GLU A 21 -1.794 -3.051 -14.764 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.463 -1.882 -15.065 1.00 0.00 O ATOM 397 OE2 GLU A 21 -2.736 -3.689 -15.294 1.00 0.00 O ATOM 0 H GLU A 21 0.012 -2.053 -11.561 1.00 0.00 H new ATOM 0 HA GLU A 21 0.926 -4.789 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.667 -2.400 -13.848 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.963 -4.058 -14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.216 -4.783 -13.628 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.477 -3.348 -12.658 1.00 0.00 H new ATOM 404 N LYS A 22 3.424 -4.289 -12.865 1.00 0.00 N ATOM 405 CA LYS A 22 4.890 -4.236 -12.779 1.00 0.00 C ATOM 406 C LYS A 22 5.499 -3.205 -13.733 1.00 0.00 C ATOM 407 O LYS A 22 5.104 -3.117 -14.890 1.00 0.00 O ATOM 408 CB LYS A 22 5.440 -5.633 -13.071 1.00 0.00 C ATOM 409 CG LYS A 22 6.904 -5.743 -12.628 1.00 0.00 C ATOM 410 CD LYS A 22 7.434 -7.142 -12.927 1.00 0.00 C ATOM 411 CE LYS A 22 8.881 -7.323 -12.431 1.00 0.00 C ATOM 412 NZ LYS A 22 9.861 -6.397 -13.071 1.00 0.00 N ATOM 0 H LYS A 22 3.077 -4.990 -13.519 1.00 0.00 H new ATOM 0 HA LYS A 22 5.167 -3.918 -11.774 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.841 -6.381 -12.552 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.361 -5.845 -14.137 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.507 -4.998 -13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.987 -5.534 -11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.791 -7.883 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.392 -7.325 -14.001 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.906 -7.173 -11.352 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.192 -8.351 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.816 -6.601 -12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.842 -6.530 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.609 -5.414 -12.844 1.00 0.00 H new ATOM 426 N GLY A 23 6.550 -2.519 -13.278 1.00 0.00 N ATOM 427 CA GLY A 23 7.324 -1.579 -14.098 1.00 0.00 C ATOM 428 C GLY A 23 6.761 -0.159 -14.114 1.00 0.00 C ATOM 429 O GLY A 23 7.262 0.680 -14.854 1.00 0.00 O ATOM 0 H GLY A 23 6.892 -2.600 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.349 -1.548 -13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.366 -1.954 -15.121 1.00 0.00 H new ATOM 433 N GLY A 24 5.738 0.132 -13.305 1.00 0.00 N ATOM 434 CA GLY A 24 5.253 1.493 -13.123 1.00 0.00 C ATOM 435 C GLY A 24 6.313 2.386 -12.459 1.00 0.00 C ATOM 436 O GLY A 24 7.031 1.927 -11.560 1.00 0.00 O ATOM 0 H GLY A 24 5.229 -0.567 -12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.976 1.914 -14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.352 1.480 -12.510 1.00 0.00 H new ATOM 440 N PRO A 25 6.414 3.668 -12.858 1.00 0.00 N ATOM 441 CA PRO A 25 7.366 4.587 -12.256 1.00 0.00 C ATOM 442 C PRO A 25 6.988 4.842 -10.795 1.00 0.00 C ATOM 443 O PRO A 25 5.809 4.856 -10.437 1.00 0.00 O ATOM 444 CB PRO A 25 7.296 5.859 -13.108 1.00 0.00 C ATOM 445 CG PRO A 25 5.870 5.842 -13.658 1.00 0.00 C ATOM 446 CD PRO A 25 5.589 4.351 -13.845 1.00 0.00 C ATOM 0 HA PRO A 25 8.383 4.196 -12.239 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.486 6.752 -12.512 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.035 5.847 -13.909 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.165 6.301 -12.965 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.794 6.388 -14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.533 4.130 -13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.840 4.029 -14.856 1.00 0.00 H new ATOM 454 N HIS A 26 7.996 5.063 -9.947 1.00 0.00 N ATOM 455 CA HIS A 26 7.853 5.389 -8.525 1.00 0.00 C ATOM 456 C HIS A 26 7.297 6.816 -8.327 1.00 0.00 C ATOM 457 O HIS A 26 7.984 7.742 -7.893 1.00 0.00 O ATOM 458 CB HIS A 26 9.214 5.170 -7.862 1.00 0.00 C ATOM 459 CG HIS A 26 9.828 3.813 -8.122 1.00 0.00 C ATOM 460 ND1 HIS A 26 9.182 2.598 -8.071 1.00 0.00 N ATOM 461 CD2 HIS A 26 11.134 3.568 -8.451 1.00 0.00 C ATOM 462 CE1 HIS A 26 10.098 1.642 -8.301 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.303 2.185 -8.527 1.00 0.00 N ATOM 0 H HIS A 26 8.971 5.018 -10.243 1.00 0.00 H new ATOM 0 HA HIS A 26 7.121 4.737 -8.048 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.902 5.939 -8.212 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.106 5.305 -6.786 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.189 2.450 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.898 4.313 -8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.892 0.582 -8.303 1.00 0.00 H new ATOM 471 N LYS A 27 6.034 6.974 -8.732 1.00 0.00 N ATOM 472 CA LYS A 27 5.344 8.194 -9.165 1.00 0.00 C ATOM 473 C LYS A 27 5.362 9.300 -8.114 1.00 0.00 C ATOM 474 O LYS A 27 5.644 10.449 -8.433 1.00 0.00 O ATOM 475 CB LYS A 27 3.912 7.752 -9.507 1.00 0.00 C ATOM 476 CG LYS A 27 3.078 8.793 -10.258 1.00 0.00 C ATOM 477 CD LYS A 27 1.608 8.363 -10.198 1.00 0.00 C ATOM 478 CE LYS A 27 0.738 9.236 -11.102 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.674 9.167 -10.668 1.00 0.00 N ATOM 0 H LYS A 27 5.406 6.171 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 27 5.850 8.638 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.961 6.845 -10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.397 7.493 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.205 9.778 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.409 8.870 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.519 7.320 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.249 8.428 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.087 10.268 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.826 8.903 -12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.295 9.416 -11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.892 8.202 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.830 9.834 -9.886 1.00 0.00 H new ATOM 493 N VAL A 28 5.035 8.933 -6.880 1.00 0.00 N ATOM 494 CA VAL A 28 5.112 9.769 -5.673 1.00 0.00 C ATOM 495 C VAL A 28 5.597 8.886 -4.524 1.00 0.00 C ATOM 496 O VAL A 28 6.531 9.236 -3.797 1.00 0.00 O ATOM 497 CB VAL A 28 3.744 10.407 -5.348 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.829 11.326 -4.125 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.162 11.229 -6.507 1.00 0.00 C ATOM 0 H VAL A 28 4.690 7.995 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 28 5.809 10.592 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 28 3.085 9.561 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.848 11.758 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.155 10.750 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.544 12.125 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.201 11.648 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.848 12.038 -6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.024 10.586 -7.376 1.00 0.00 H new ATOM 509 N GLY A 29 4.991 7.703 -4.402 1.00 0.00 N ATOM 510 CA GLY A 29 5.530 6.555 -3.684 1.00 0.00 C ATOM 511 C GLY A 29 5.960 5.445 -4.653 1.00 0.00 C ATOM 512 O GLY A 29 5.917 5.623 -5.875 1.00 0.00 O ATOM 0 H GLY A 29 4.078 7.515 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.384 6.867 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.779 6.169 -2.995 1.00 0.00 H new ATOM 516 N PRO A 30 6.411 4.297 -4.126 1.00 0.00 N ATOM 517 CA PRO A 30 6.910 3.183 -4.932 1.00 0.00 C ATOM 518 C PRO A 30 5.820 2.446 -5.725 1.00 0.00 C ATOM 519 O PRO A 30 4.627 2.717 -5.604 1.00 0.00 O ATOM 520 CB PRO A 30 7.598 2.255 -3.928 1.00 0.00 C ATOM 521 CG PRO A 30 6.850 2.523 -2.625 1.00 0.00 C ATOM 522 CD PRO A 30 6.562 4.014 -2.707 1.00 0.00 C ATOM 0 HA PRO A 30 7.584 3.547 -5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.520 1.210 -4.228 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.660 2.481 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.934 1.937 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.454 2.274 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.657 4.271 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.375 4.596 -2.274 1.00 0.00 H new ATOM 530 N ASN A 31 6.244 1.470 -6.533 1.00 0.00 N ATOM 531 CA ASN A 31 5.326 0.488 -7.115 1.00 0.00 C ATOM 532 C ASN A 31 4.819 -0.471 -6.010 1.00 0.00 C ATOM 533 O ASN A 31 5.513 -0.690 -5.021 1.00 0.00 O ATOM 534 CB ASN A 31 6.078 -0.247 -8.244 1.00 0.00 C ATOM 535 CG ASN A 31 5.153 -0.793 -9.315 1.00 0.00 C ATOM 536 OD1 ASN A 31 5.074 -0.282 -10.416 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.401 -1.833 -9.068 1.00 0.00 N ATOM 0 H ASN A 31 7.220 1.339 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 31 4.443 0.965 -7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.792 0.437 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.653 -1.068 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.773 -2.191 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.442 -2.287 -8.155 1.00 0.00 H new ATOM 544 N LEU A 32 3.661 -1.104 -6.207 1.00 0.00 N ATOM 545 CA LEU A 32 2.942 -1.942 -5.243 1.00 0.00 C ATOM 546 C LEU A 32 2.656 -3.339 -5.834 1.00 0.00 C ATOM 547 O LEU A 32 1.569 -3.893 -5.720 1.00 0.00 O ATOM 548 CB LEU A 32 1.652 -1.240 -4.793 1.00 0.00 C ATOM 549 CG LEU A 32 1.763 0.177 -4.209 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.352 0.635 -3.835 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.637 0.237 -2.958 1.00 0.00 C ATOM 0 H LEU A 32 3.169 -1.042 -7.098 1.00 0.00 H new ATOM 0 HA LEU A 32 3.570 -2.087 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.981 -1.195 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.172 -1.872 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 32 2.227 0.818 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.395 1.640 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.277 0.639 -4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.069 -0.048 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.678 1.263 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.214 -0.407 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.644 -0.101 -3.201 1.00 0.00 H new ATOM 563 N HIS A 33 3.666 -3.898 -6.491 1.00 0.00 N ATOM 564 CA HIS A 33 3.684 -5.224 -7.124 1.00 0.00 C ATOM 565 C HIS A 33 4.819 -6.049 -6.507 1.00 0.00 C ATOM 566 O HIS A 33 5.981 -5.701 -6.704 1.00 0.00 O ATOM 567 CB HIS A 33 3.906 -5.033 -8.628 1.00 0.00 C ATOM 568 CG HIS A 33 3.921 -6.320 -9.402 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.821 -7.025 -9.833 1.00 0.00 N ATOM 570 CD2 HIS A 33 5.039 -7.007 -9.783 1.00 0.00 C ATOM 571 CE1 HIS A 33 3.273 -8.115 -10.479 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.620 -8.130 -10.499 1.00 0.00 N ATOM 0 H HIS A 33 4.554 -3.410 -6.607 1.00 0.00 H new ATOM 0 HA HIS A 33 2.743 -5.751 -6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.120 -4.390 -9.024 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.852 -4.514 -8.784 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.844 -6.769 -9.689 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.061 -6.731 -9.569 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.643 -8.873 -10.921 1.00 0.00 H new ATOM 580 N GLY A 34 4.515 -7.088 -5.722 1.00 0.00 N ATOM 581 CA GLY A 34 5.543 -7.877 -5.018 1.00 0.00 C ATOM 582 C GLY A 34 6.019 -7.277 -3.684 1.00 0.00 C ATOM 583 O GLY A 34 7.081 -7.648 -3.183 1.00 0.00 O ATOM 0 H GLY A 34 3.561 -7.407 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.148 -8.876 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.405 -7.993 -5.675 1.00 0.00 H new ATOM 587 N ILE A 35 5.246 -6.342 -3.114 1.00 0.00 N ATOM 588 CA ILE A 35 5.429 -5.832 -1.748 1.00 0.00 C ATOM 589 C ILE A 35 5.051 -6.865 -0.681 1.00 0.00 C ATOM 590 O ILE A 35 5.703 -6.931 0.355 1.00 0.00 O ATOM 591 CB ILE A 35 4.694 -4.490 -1.506 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.156 -4.545 -1.331 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.099 -3.467 -2.579 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.340 -5.094 -2.508 1.00 0.00 C ATOM 0 H ILE A 35 4.460 -5.910 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 35 6.497 -5.636 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 35 5.033 -4.176 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.937 -5.154 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.803 -3.536 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.577 -2.527 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.175 -3.299 -2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.832 -3.849 -3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.280 -5.078 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.512 -4.476 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.647 -6.119 -2.717 1.00 0.00 H new ATOM 606 N PHE A 36 4.012 -7.675 -0.920 1.00 0.00 N ATOM 607 CA PHE A 36 3.539 -8.748 -0.048 1.00 0.00 C ATOM 608 C PHE A 36 4.591 -9.849 0.114 1.00 0.00 C ATOM 609 O PHE A 36 5.120 -10.388 -0.855 1.00 0.00 O ATOM 610 CB PHE A 36 2.229 -9.348 -0.581 1.00 0.00 C ATOM 611 CG PHE A 36 1.019 -8.448 -0.414 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.535 -8.171 0.880 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.366 -7.905 -1.537 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.592 -7.351 1.050 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.768 -7.090 -1.365 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.251 -6.822 -0.071 1.00 0.00 C ATOM 0 H PHE A 36 3.454 -7.593 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 36 3.354 -8.309 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.352 -9.579 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.040 -10.291 -0.069 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.032 -8.590 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.735 -8.114 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.952 -7.127 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.267 -6.670 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.130 -6.208 0.060 1.00 0.00 H new ATOM 626 N GLY A 37 4.889 -10.165 1.370 1.00 0.00 N ATOM 627 CA GLY A 37 5.963 -11.069 1.774 1.00 0.00 C ATOM 628 C GLY A 37 7.354 -10.434 1.709 1.00 0.00 C ATOM 629 O GLY A 37 8.339 -11.080 2.065 1.00 0.00 O ATOM 0 H GLY A 37 4.372 -9.786 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.776 -11.411 2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.945 -11.951 1.134 1.00 0.00 H new ATOM 633 N ARG A 38 7.461 -9.168 1.287 1.00 0.00 N ATOM 634 CA ARG A 38 8.676 -8.362 1.400 1.00 0.00 C ATOM 635 C ARG A 38 8.751 -7.706 2.774 1.00 0.00 C ATOM 636 O ARG A 38 7.771 -7.625 3.510 1.00 0.00 O ATOM 637 CB ARG A 38 8.677 -7.300 0.282 1.00 0.00 C ATOM 638 CG ARG A 38 10.058 -6.910 -0.241 1.00 0.00 C ATOM 639 CD ARG A 38 10.633 -7.998 -1.151 1.00 0.00 C ATOM 640 NE ARG A 38 12.056 -7.743 -1.400 1.00 0.00 N ATOM 641 CZ ARG A 38 12.878 -8.388 -2.195 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.480 -9.354 -2.973 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.134 -8.055 -2.189 1.00 0.00 N ATOM 0 H ARG A 38 6.687 -8.668 0.849 1.00 0.00 H new ATOM 0 HA ARG A 38 9.553 -9.000 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.082 -7.672 -0.552 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.180 -6.404 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.990 -5.971 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.733 -6.740 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.506 -8.976 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.088 -8.020 -2.095 1.00 0.00 H new ATOM 0 HE ARG A 38 12.461 -6.960 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.499 -9.633 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.149 -9.831 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.461 -7.308 -1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.793 -8.541 -2.797 1.00 0.00 H new ATOM 657 N HIS A 39 9.928 -7.180 3.067 1.00 0.00 N ATOM 658 CA HIS A 39 10.131 -6.189 4.115 1.00 0.00 C ATOM 659 C HIS A 39 10.034 -4.793 3.504 1.00 0.00 C ATOM 660 O HIS A 39 10.616 -4.549 2.445 1.00 0.00 O ATOM 661 CB HIS A 39 11.485 -6.425 4.785 1.00 0.00 C ATOM 662 CG HIS A 39 11.464 -7.674 5.619 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.929 -8.924 5.268 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.850 -7.781 6.834 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.600 -9.768 6.262 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.939 -9.119 7.230 1.00 0.00 N ATOM 0 H HIS A 39 10.786 -7.433 2.576 1.00 0.00 H new ATOM 0 HA HIS A 39 9.362 -6.279 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.262 -6.505 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.739 -5.570 5.411 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.382 -6.980 7.387 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.836 -10.822 6.278 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.571 -9.524 8.091 1.00 0.00 H new ATOM 674 N SER A 40 9.303 -3.897 4.165 1.00 0.00 N ATOM 675 CA SER A 40 9.074 -2.510 3.754 1.00 0.00 C ATOM 676 C SER A 40 10.357 -1.749 3.416 1.00 0.00 C ATOM 677 O SER A 40 11.396 -1.948 4.051 1.00 0.00 O ATOM 678 CB SER A 40 8.329 -1.809 4.885 1.00 0.00 C ATOM 679 OG SER A 40 8.139 -0.451 4.588 1.00 0.00 O ATOM 0 H SER A 40 8.833 -4.127 5.041 1.00 0.00 H new ATOM 0 HA SER A 40 8.492 -2.522 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.364 -2.290 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.891 -1.908 5.814 1.00 0.00 H new ATOM 0 HG SER A 40 7.896 -0.354 3.644 1.00 0.00 H new ATOM 685 N GLY A 41 10.272 -0.838 2.443 1.00 0.00 N ATOM 686 CA GLY A 41 11.439 -0.086 1.969 1.00 0.00 C ATOM 687 C GLY A 41 12.249 -0.799 0.881 1.00 0.00 C ATOM 688 O GLY A 41 13.472 -0.686 0.864 1.00 0.00 O ATOM 0 H GLY A 41 9.402 -0.602 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.104 0.877 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.093 0.120 2.816 1.00 0.00 H new ATOM 692 N GLN A 42 11.605 -1.586 0.011 1.00 0.00 N ATOM 693 CA GLN A 42 12.269 -2.401 -1.021 1.00 0.00 C ATOM 694 C GLN A 42 11.612 -2.305 -2.413 1.00 0.00 C ATOM 695 O GLN A 42 11.295 -3.315 -3.043 1.00 0.00 O ATOM 696 CB GLN A 42 12.420 -3.850 -0.525 1.00 0.00 C ATOM 697 CG GLN A 42 13.357 -3.951 0.691 1.00 0.00 C ATOM 698 CD GLN A 42 13.811 -5.378 0.981 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.861 -6.253 0.123 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.190 -5.700 2.195 1.00 0.00 N ATOM 0 H GLN A 42 10.589 -1.678 0.002 1.00 0.00 H new ATOM 0 HA GLN A 42 13.264 -1.984 -1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.440 -4.246 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.807 -4.471 -1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.233 -3.325 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.848 -3.553 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.164 -5.003 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.510 -6.648 2.395 1.00 0.00 H new ATOM 709 N ALA A 43 11.443 -1.076 -2.907 1.00 0.00 N ATOM 710 CA ALA A 43 11.314 -0.799 -4.341 1.00 0.00 C ATOM 711 C ALA A 43 12.669 -0.903 -5.078 1.00 0.00 C ATOM 712 O ALA A 43 13.696 -1.174 -4.461 1.00 0.00 O ATOM 713 CB ALA A 43 10.670 0.578 -4.507 1.00 0.00 C ATOM 0 H ALA A 43 11.392 -0.242 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 43 10.677 -1.554 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.564 0.805 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.687 0.579 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.299 1.333 -4.035 1.00 0.00 H new ATOM 719 N GLU A 44 12.647 -0.722 -6.402 1.00 0.00 N ATOM 720 CA GLU A 44 13.737 -1.093 -7.316 1.00 0.00 C ATOM 721 C GLU A 44 14.880 -0.066 -7.367 1.00 0.00 C ATOM 722 O GLU A 44 15.985 -0.362 -6.919 1.00 0.00 O ATOM 723 CB GLU A 44 13.108 -1.419 -8.692 1.00 0.00 C ATOM 724 CG GLU A 44 13.970 -2.297 -9.620 1.00 0.00 C ATOM 725 CD GLU A 44 13.200 -2.836 -10.853 1.00 0.00 C ATOM 726 OE1 GLU A 44 11.973 -3.091 -10.742 1.00 0.00 O ATOM 727 OE2 GLU A 44 13.839 -3.056 -11.906 1.00 0.00 O ATOM 0 H GLU A 44 11.851 -0.303 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 44 14.243 -1.982 -6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.154 -1.921 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.891 -0.482 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.827 -1.717 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.362 -3.139 -9.050 1.00 0.00 H new ATOM 734 N GLY A 45 14.618 1.147 -7.862 1.00 0.00 N ATOM 735 CA GLY A 45 15.620 2.215 -7.987 1.00 0.00 C ATOM 736 C GLY A 45 15.422 3.375 -7.006 1.00 0.00 C ATOM 737 O GLY A 45 15.682 4.517 -7.380 1.00 0.00 O ATOM 0 H GLY A 45 13.693 1.421 -8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.611 1.788 -7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.595 2.605 -9.004 1.00 0.00 H new ATOM 741 N TYR A 46 14.864 3.125 -5.812 1.00 0.00 N ATOM 742 CA TYR A 46 14.195 4.189 -5.041 1.00 0.00 C ATOM 743 C TYR A 46 14.486 4.230 -3.529 1.00 0.00 C ATOM 744 O TYR A 46 14.261 3.261 -2.807 1.00 0.00 O ATOM 745 CB TYR A 46 12.701 4.073 -5.330 1.00 0.00 C ATOM 746 CG TYR A 46 11.913 5.332 -5.053 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.417 5.564 -3.762 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.659 6.255 -6.082 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.590 6.675 -3.512 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.815 7.358 -5.846 1.00 0.00 C ATOM 751 CZ TYR A 46 10.259 7.553 -4.566 1.00 0.00 C ATOM 752 OH TYR A 46 9.411 8.591 -4.353 1.00 0.00 O ATOM 0 H TYR A 46 14.861 2.209 -5.362 1.00 0.00 H new ATOM 0 HA TYR A 46 14.610 5.140 -5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.566 3.797 -6.376 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.289 3.261 -4.730 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.670 4.889 -2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 46 12.111 6.119 -7.053 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.210 6.855 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.595 8.052 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 46 9.294 9.094 -5.186 1.00 0.00 H new ATOM 762 N SER A 47 14.920 5.400 -3.042 1.00 0.00 N ATOM 763 CA SER A 47 15.120 5.710 -1.618 1.00 0.00 C ATOM 764 C SER A 47 13.806 5.972 -0.881 1.00 0.00 C ATOM 765 O SER A 47 12.929 6.665 -1.392 1.00 0.00 O ATOM 766 CB SER A 47 15.954 6.983 -1.455 1.00 0.00 C ATOM 767 OG SER A 47 17.232 6.832 -2.038 1.00 0.00 O ATOM 0 H SER A 47 15.150 6.186 -3.650 1.00 0.00 H new ATOM 0 HA SER A 47 15.617 4.835 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.436 7.823 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 47 16.060 7.219 -0.396 1.00 0.00 H new ATOM 0 HG SER A 47 17.744 7.659 -1.922 1.00 0.00 H new ATOM 773 N TYR A 48 13.703 5.501 0.360 1.00 0.00 N ATOM 774 CA TYR A 48 12.549 5.739 1.229 1.00 0.00 C ATOM 775 C TYR A 48 12.865 6.791 2.299 1.00 0.00 C ATOM 776 O TYR A 48 14.015 7.190 2.489 1.00 0.00 O ATOM 777 CB TYR A 48 12.128 4.404 1.857 1.00 0.00 C ATOM 778 CG TYR A 48 11.385 3.480 0.913 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.057 2.831 -0.147 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.016 3.240 1.117 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.365 1.932 -0.973 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.332 2.310 0.316 1.00 0.00 C ATOM 783 CZ TYR A 48 10.009 1.638 -0.722 1.00 0.00 C ATOM 784 OH TYR A 48 9.385 0.681 -1.453 1.00 0.00 O ATOM 0 H TYR A 48 14.429 4.934 0.798 1.00 0.00 H new ATOM 0 HA TYR A 48 11.723 6.137 0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.017 3.892 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.496 4.606 2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.105 3.027 -0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.487 3.773 1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.873 1.464 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.286 2.110 0.496 1.00 0.00 H new ATOM 0 HH TYR A 48 8.547 0.428 -1.013 1.00 0.00 H new ATOM 794 N THR A 49 11.842 7.234 3.026 1.00 0.00 N ATOM 795 CA THR A 49 12.008 7.963 4.289 1.00 0.00 C ATOM 796 C THR A 49 12.651 7.072 5.348 1.00 0.00 C ATOM 797 O THR A 49 12.315 5.892 5.477 1.00 0.00 O ATOM 798 CB THR A 49 10.671 8.495 4.829 1.00 0.00 C ATOM 799 OG1 THR A 49 9.655 7.517 4.835 1.00 0.00 O ATOM 800 CG2 THR A 49 10.190 9.675 3.998 1.00 0.00 C ATOM 0 H THR A 49 10.867 7.098 2.757 1.00 0.00 H new ATOM 0 HA THR A 49 12.657 8.812 4.075 1.00 0.00 H new ATOM 0 HB THR A 49 10.863 8.799 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.361 7.345 3.916 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.242 10.038 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.930 10.474 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.053 9.360 2.964 1.00 0.00 H new ATOM 808 N ASP A 50 13.546 7.635 6.164 1.00 0.00 N ATOM 809 CA ASP A 50 14.199 6.863 7.226 1.00 0.00 C ATOM 810 C ASP A 50 13.190 6.268 8.226 1.00 0.00 C ATOM 811 O ASP A 50 13.342 5.119 8.626 1.00 0.00 O ATOM 812 CB ASP A 50 15.258 7.715 7.923 1.00 0.00 C ATOM 813 CG ASP A 50 15.954 6.903 9.013 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.767 5.998 8.707 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.662 7.126 10.203 1.00 0.00 O ATOM 0 H ASP A 50 13.833 8.612 6.112 1.00 0.00 H new ATOM 0 HA ASP A 50 14.696 6.012 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.991 8.064 7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.794 8.600 8.359 1.00 0.00 H new ATOM 820 N ALA A 51 12.103 6.978 8.554 1.00 0.00 N ATOM 821 CA ALA A 51 11.016 6.439 9.375 1.00 0.00 C ATOM 822 C ALA A 51 10.456 5.100 8.833 1.00 0.00 C ATOM 823 O ALA A 51 10.120 4.209 9.623 1.00 0.00 O ATOM 824 CB ALA A 51 9.928 7.515 9.504 1.00 0.00 C ATOM 0 H ALA A 51 11.954 7.942 8.257 1.00 0.00 H new ATOM 0 HA ALA A 51 11.408 6.195 10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.109 7.133 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.348 8.402 9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.554 7.775 8.514 1.00 0.00 H new ATOM 830 N ASN A 52 10.373 4.943 7.503 1.00 0.00 N ATOM 831 CA ASN A 52 9.951 3.716 6.828 1.00 0.00 C ATOM 832 C ASN A 52 11.052 2.637 6.837 1.00 0.00 C ATOM 833 O ASN A 52 10.773 1.454 7.042 1.00 0.00 O ATOM 834 CB ASN A 52 9.514 4.094 5.405 1.00 0.00 C ATOM 835 CG ASN A 52 8.852 2.939 4.684 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.638 2.846 4.625 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.602 2.023 4.123 1.00 0.00 N ATOM 0 H ASN A 52 10.606 5.692 6.852 1.00 0.00 H new ATOM 0 HA ASN A 52 9.114 3.267 7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.823 4.936 5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.383 4.425 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.170 1.236 3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.618 2.097 4.170 1.00 0.00 H new ATOM 844 N ILE A 53 12.320 3.025 6.681 1.00 0.00 N ATOM 845 CA ILE A 53 13.481 2.119 6.799 1.00 0.00 C ATOM 846 C ILE A 53 13.584 1.565 8.229 1.00 0.00 C ATOM 847 O ILE A 53 13.687 0.359 8.424 1.00 0.00 O ATOM 848 CB ILE A 53 14.774 2.840 6.373 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.681 3.271 4.887 1.00 0.00 C ATOM 850 CG2 ILE A 53 16.013 1.946 6.589 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.795 4.215 4.418 1.00 0.00 C ATOM 0 H ILE A 53 12.580 3.988 6.466 1.00 0.00 H new ATOM 0 HA ILE A 53 13.340 1.273 6.126 1.00 0.00 H new ATOM 0 HB ILE A 53 14.885 3.726 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.695 2.377 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.719 3.758 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.909 2.484 6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.094 1.685 7.644 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.913 1.036 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.645 4.461 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.771 5.129 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.762 3.727 4.542 1.00 0.00 H new ATOM 863 N LYS A 54 13.452 2.419 9.251 1.00 0.00 N ATOM 864 CA LYS A 54 13.230 2.061 10.666 1.00 0.00 C ATOM 865 C LYS A 54 11.822 1.505 10.942 1.00 0.00 C ATOM 866 O LYS A 54 11.400 1.392 12.096 1.00 0.00 O ATOM 867 CB LYS A 54 13.550 3.249 11.594 1.00 0.00 C ATOM 868 CG LYS A 54 14.944 3.857 11.358 1.00 0.00 C ATOM 869 CD LYS A 54 15.568 4.404 12.655 1.00 0.00 C ATOM 870 CE LYS A 54 16.643 5.483 12.451 1.00 0.00 C ATOM 871 NZ LYS A 54 17.463 5.283 11.233 1.00 0.00 N ATOM 0 H LYS A 54 13.499 3.428 9.112 1.00 0.00 H new ATOM 0 HA LYS A 54 13.923 1.249 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.796 4.023 11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.477 2.920 12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.602 3.099 10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.868 4.661 10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.774 4.816 13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 54 16.008 3.574 13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.160 6.459 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.299 5.499 13.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.097 6.097 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.029 4.416 11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.839 5.195 10.405 1.00 0.00 H new ATOM 885 N LYS A 55 11.052 1.175 9.897 1.00 0.00 N ATOM 886 CA LYS A 55 9.917 0.240 9.994 1.00 0.00 C ATOM 887 C LYS A 55 10.272 -1.158 9.482 1.00 0.00 C ATOM 888 O LYS A 55 10.163 -2.079 10.284 1.00 0.00 O ATOM 889 CB LYS A 55 8.617 0.809 9.388 1.00 0.00 C ATOM 890 CG LYS A 55 7.374 0.044 9.889 1.00 0.00 C ATOM 891 CD LYS A 55 6.701 0.532 11.189 1.00 0.00 C ATOM 892 CE LYS A 55 7.593 0.719 12.428 1.00 0.00 C ATOM 893 NZ LYS A 55 8.323 2.014 12.410 1.00 0.00 N ATOM 0 H LYS A 55 11.196 1.548 8.959 1.00 0.00 H new ATOM 0 HA LYS A 55 9.703 0.120 11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.525 1.864 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.666 0.752 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.626 0.066 9.097 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.658 -0.999 10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.215 1.485 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.914 -0.177 11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.978 0.664 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.311 -0.099 12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.342 1.836 12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.989 2.590 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.149 2.523 13.300 1.00 0.00 H new ATOM 907 N ASN A 56 10.652 -1.321 8.209 1.00 0.00 N ATOM 908 CA ASN A 56 11.010 -2.631 7.632 1.00 0.00 C ATOM 909 C ASN A 56 9.992 -3.737 7.964 1.00 0.00 C ATOM 910 O ASN A 56 10.358 -4.871 8.233 1.00 0.00 O ATOM 911 CB ASN A 56 12.468 -2.952 8.026 1.00 0.00 C ATOM 912 CG ASN A 56 13.262 -3.686 6.962 1.00 0.00 C ATOM 913 OD1 ASN A 56 13.947 -4.662 7.207 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.276 -3.228 5.730 1.00 0.00 N ATOM 0 H ASN A 56 10.721 -0.549 7.545 1.00 0.00 H new ATOM 0 HA ASN A 56 10.959 -2.582 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.980 -2.020 8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.461 -3.553 8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.847 -3.689 5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.716 -2.412 5.483 1.00 0.00 H new ATOM 921 N VAL A 57 8.700 -3.393 7.968 1.00 0.00 N ATOM 922 CA VAL A 57 7.611 -4.316 8.302 1.00 0.00 C ATOM 923 C VAL A 57 7.480 -5.407 7.240 1.00 0.00 C ATOM 924 O VAL A 57 7.586 -5.108 6.052 1.00 0.00 O ATOM 925 CB VAL A 57 6.297 -3.529 8.529 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.244 -3.647 7.428 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.699 -3.962 9.868 1.00 0.00 C ATOM 0 H VAL A 57 8.377 -2.454 7.736 1.00 0.00 H new ATOM 0 HA VAL A 57 7.842 -4.827 9.237 1.00 0.00 H new ATOM 0 HB VAL A 57 6.578 -2.476 8.519 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.369 -3.055 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.657 -3.279 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.954 -4.691 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.772 -3.417 10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.493 -5.032 9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.406 -3.746 10.669 1.00 0.00 H new ATOM 937 N LEU A 58 7.248 -6.656 7.651 1.00 0.00 N ATOM 938 CA LEU A 58 6.909 -7.739 6.729 1.00 0.00 C ATOM 939 C LEU A 58 5.446 -7.591 6.280 1.00 0.00 C ATOM 940 O LEU A 58 4.534 -7.903 7.045 1.00 0.00 O ATOM 941 CB LEU A 58 7.231 -9.102 7.368 1.00 0.00 C ATOM 942 CG LEU A 58 7.354 -10.248 6.340 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.991 -11.462 7.022 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.006 -10.714 5.781 1.00 0.00 C ATOM 0 H LEU A 58 7.290 -6.943 8.629 1.00 0.00 H new ATOM 0 HA LEU A 58 7.519 -7.681 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.164 -9.022 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.451 -9.351 8.087 1.00 0.00 H new ATOM 0 HG LEU A 58 7.953 -9.857 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.082 -12.277 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.980 -11.193 7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.365 -11.781 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.168 -11.520 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.379 -11.073 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.511 -9.880 5.283 1.00 0.00 H new ATOM 956 N TRP A 59 5.242 -7.078 5.069 1.00 0.00 N ATOM 957 CA TRP A 59 3.928 -6.822 4.473 1.00 0.00 C ATOM 958 C TRP A 59 3.092 -8.101 4.287 1.00 0.00 C ATOM 959 O TRP A 59 3.341 -8.899 3.383 1.00 0.00 O ATOM 960 CB TRP A 59 4.111 -6.122 3.119 1.00 0.00 C ATOM 961 CG TRP A 59 4.670 -4.731 3.132 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.721 -4.277 2.408 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.186 -3.585 3.886 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.918 -2.931 2.674 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.043 -2.478 3.633 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.117 -3.373 4.774 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.901 -1.249 4.293 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.943 -2.143 5.422 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.846 -1.084 5.203 1.00 0.00 C ATOM 0 H TRP A 59 6.012 -6.819 4.452 1.00 0.00 H new ATOM 0 HA TRP A 59 3.379 -6.184 5.165 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.764 -6.742 2.505 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.141 -6.091 2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.314 -4.872 1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.622 -2.351 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.416 -4.174 4.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.593 -0.442 4.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.110 -2.006 6.095 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.727 -0.150 5.733 1.00 0.00 H new ATOM 980 N ASP A 60 2.056 -8.261 5.104 1.00 0.00 N ATOM 981 CA ASP A 60 1.022 -9.310 5.021 1.00 0.00 C ATOM 982 C ASP A 60 -0.358 -8.680 4.722 1.00 0.00 C ATOM 983 O ASP A 60 -0.503 -7.456 4.735 1.00 0.00 O ATOM 984 CB ASP A 60 1.085 -10.175 6.299 1.00 0.00 C ATOM 985 CG ASP A 60 -0.276 -10.631 6.813 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.797 -11.630 6.273 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.855 -9.893 7.644 1.00 0.00 O ATOM 0 H ASP A 60 1.898 -7.630 5.890 1.00 0.00 H new ATOM 0 HA ASP A 60 1.205 -9.986 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.699 -11.054 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.586 -9.608 7.084 1.00 0.00 H new ATOM 992 N GLU A 61 -1.373 -9.495 4.421 1.00 0.00 N ATOM 993 CA GLU A 61 -2.720 -9.015 4.072 1.00 0.00 C ATOM 994 C GLU A 61 -3.391 -8.219 5.207 1.00 0.00 C ATOM 995 O GLU A 61 -4.015 -7.184 4.957 1.00 0.00 O ATOM 996 CB GLU A 61 -3.606 -10.159 3.528 1.00 0.00 C ATOM 997 CG GLU A 61 -4.021 -11.265 4.518 1.00 0.00 C ATOM 998 CD GLU A 61 -4.893 -12.368 3.875 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.666 -12.686 2.680 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.793 -12.892 4.573 1.00 0.00 O ATOM 0 H GLU A 61 -1.287 -10.511 4.412 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.598 -8.298 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.513 -9.716 3.117 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.077 -10.630 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.125 -11.720 4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.569 -10.815 5.346 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.180 -8.636 6.458 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.641 -7.953 7.658 1.00 0.00 C ATOM 1009 C ASN A 62 -2.653 -6.854 8.113 1.00 0.00 C ATOM 1010 O ASN A 62 -3.080 -5.717 8.335 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.913 -9.025 8.721 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.097 -9.904 8.336 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -6.240 -9.481 8.387 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -4.875 -11.133 7.928 1.00 0.00 N ATOM 0 H ASN A 62 -2.664 -9.491 6.665 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.566 -7.410 7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.025 -9.644 8.850 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.110 -8.546 9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.657 -11.729 7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.921 -11.491 7.884 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.346 -7.129 8.178 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.306 -6.127 8.475 1.00 0.00 C ATOM 1023 C ASN A 63 -0.372 -4.884 7.561 1.00 0.00 C ATOM 1024 O ASN A 63 -0.351 -3.752 8.047 1.00 0.00 O ATOM 1025 CB ASN A 63 1.066 -6.813 8.393 1.00 0.00 C ATOM 1026 CG ASN A 63 2.187 -5.814 8.192 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.499 -5.439 7.084 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.783 -5.297 9.225 1.00 0.00 N ATOM 0 H ASN A 63 -0.971 -8.065 8.024 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.478 -5.745 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.244 -7.379 9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.066 -7.528 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.503 -4.586 9.096 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.531 -5.603 10.165 1.00 0.00 H new ATOM 1035 N MET A 64 -0.472 -5.059 6.241 1.00 0.00 N ATOM 1036 CA MET A 64 -0.548 -3.904 5.349 1.00 0.00 C ATOM 1037 C MET A 64 -1.847 -3.117 5.587 1.00 0.00 C ATOM 1038 O MET A 64 -1.842 -1.897 5.476 1.00 0.00 O ATOM 1039 CB MET A 64 -0.376 -4.335 3.886 1.00 0.00 C ATOM 1040 CG MET A 64 0.094 -3.180 2.996 1.00 0.00 C ATOM 1041 SD MET A 64 0.613 -3.712 1.343 1.00 0.00 S ATOM 1042 CE MET A 64 -0.952 -3.554 0.465 1.00 0.00 C ATOM 0 H MET A 64 -0.502 -5.967 5.777 1.00 0.00 H new ATOM 0 HA MET A 64 0.276 -3.227 5.576 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.345 -5.151 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.323 -4.721 3.508 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.713 -2.454 2.899 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.925 -2.670 3.483 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.852 -3.976 -0.535 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.730 -4.090 1.009 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.222 -2.501 0.389 1.00 0.00 H new ATOM 1052 N SER A 65 -2.953 -3.776 5.967 1.00 0.00 N ATOM 1053 CA SER A 65 -4.231 -3.124 6.306 1.00 0.00 C ATOM 1054 C SER A 65 -4.196 -2.280 7.591 1.00 0.00 C ATOM 1055 O SER A 65 -4.810 -1.209 7.624 1.00 0.00 O ATOM 1056 CB SER A 65 -5.361 -4.156 6.384 1.00 0.00 C ATOM 1057 OG SER A 65 -5.453 -4.783 7.644 1.00 0.00 O ATOM 0 H SER A 65 -2.987 -4.792 6.049 1.00 0.00 H new ATOM 0 HA SER A 65 -4.419 -2.422 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.308 -3.666 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.205 -4.915 5.618 1.00 0.00 H new ATOM 0 HG SER A 65 -4.553 -4.960 7.988 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.449 -2.723 8.608 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.137 -1.995 9.845 1.00 0.00 C ATOM 1065 C GLU A 66 -2.439 -0.668 9.506 1.00 0.00 C ATOM 1066 O GLU A 66 -2.983 0.417 9.753 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.277 -2.905 10.752 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.877 -2.243 12.081 1.00 0.00 C ATOM 1069 CD GLU A 66 -0.880 -3.076 12.901 1.00 0.00 C ATOM 1070 OE1 GLU A 66 0.107 -3.579 12.313 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -1.037 -3.118 14.137 1.00 0.00 O ATOM 0 H GLU A 66 -3.022 -3.649 8.590 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.048 -1.743 10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.829 -3.821 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.375 -3.194 10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.440 -1.266 11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.773 -2.072 12.677 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.282 -0.761 8.840 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.543 0.366 8.266 1.00 0.00 C ATOM 1080 C TYR A 67 -1.443 1.275 7.430 1.00 0.00 C ATOM 1081 O TYR A 67 -1.601 2.439 7.767 1.00 0.00 O ATOM 1082 CB TYR A 67 0.620 -0.150 7.410 1.00 0.00 C ATOM 1083 CG TYR A 67 1.263 0.916 6.540 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.885 2.015 7.150 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.219 0.832 5.134 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.482 3.025 6.374 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.829 1.830 4.346 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.463 2.928 4.967 1.00 0.00 C ATOM 1089 OH TYR A 67 3.077 3.871 4.209 1.00 0.00 O ATOM 0 H TYR A 67 -0.819 -1.656 8.681 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.154 0.959 9.094 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.379 -0.577 8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.259 -0.957 6.772 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.906 2.087 8.227 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.717 0.002 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.953 3.871 6.853 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.811 1.754 3.269 1.00 0.00 H new ATOM 0 HH TYR A 67 2.423 4.283 3.607 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.074 0.763 6.364 1.00 0.00 N ATOM 1100 CA LEU A 68 -2.869 1.550 5.408 1.00 0.00 C ATOM 1101 C LEU A 68 -3.946 2.408 6.083 1.00 0.00 C ATOM 1102 O LEU A 68 -4.386 3.416 5.520 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.557 0.599 4.408 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.671 0.058 3.276 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.421 -1.054 2.535 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.326 1.159 2.281 1.00 0.00 C ATOM 0 H LEU A 68 -2.046 -0.231 6.137 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.176 2.225 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.962 -0.248 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.403 1.122 3.962 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.750 -0.325 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.796 -1.441 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.657 -1.859 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.344 -0.654 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.698 0.750 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.243 1.558 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.790 1.958 2.794 1.00 0.00 H new ATOM 1118 N THR A 69 -4.440 1.962 7.238 1.00 0.00 N ATOM 1119 CA THR A 69 -5.500 2.598 8.030 1.00 0.00 C ATOM 1120 C THR A 69 -4.998 3.696 8.963 1.00 0.00 C ATOM 1121 O THR A 69 -5.721 4.664 9.188 1.00 0.00 O ATOM 1122 CB THR A 69 -6.282 1.530 8.788 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.758 0.600 7.837 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.501 2.063 9.540 1.00 0.00 C ATOM 0 H THR A 69 -4.096 1.105 7.671 1.00 0.00 H new ATOM 0 HA THR A 69 -6.162 3.107 7.330 1.00 0.00 H new ATOM 0 HB THR A 69 -5.604 1.104 9.527 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.033 -0.009 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.001 1.241 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.181 2.805 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.191 2.524 8.834 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.762 3.601 9.460 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.135 4.609 10.323 1.00 0.00 C ATOM 1134 C ASN A 70 -1.683 4.976 9.903 1.00 0.00 C ATOM 1135 O ASN A 70 -0.821 5.162 10.765 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.325 4.184 11.800 1.00 0.00 C ATOM 1137 CG ASN A 70 -2.272 3.256 12.393 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -1.577 3.616 13.333 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -2.132 2.041 11.920 1.00 0.00 N ATOM 0 H ASN A 70 -3.155 2.804 9.270 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.641 5.566 10.197 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.364 5.086 12.410 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.296 3.697 11.890 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.449 1.407 12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.706 1.729 11.136 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.375 5.160 8.601 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.004 5.029 8.090 1.00 0.00 C ATOM 1148 C PRO A 71 0.921 6.095 8.669 1.00 0.00 C ATOM 1149 O PRO A 71 2.043 5.818 9.085 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.127 5.123 6.562 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.424 5.905 6.344 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.297 5.478 7.522 1.00 0.00 C ATOM 0 HA PRO A 71 0.449 4.083 8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.728 5.637 6.123 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.174 4.135 6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.249 6.981 6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.888 5.656 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.980 6.276 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.909 4.614 7.263 1.00 0.00 H new ATOM 1160 N LYS A 72 0.383 7.309 8.791 1.00 0.00 N ATOM 1161 CA LYS A 72 0.990 8.507 9.374 1.00 0.00 C ATOM 1162 C LYS A 72 1.359 8.384 10.859 1.00 0.00 C ATOM 1163 O LYS A 72 2.146 9.192 11.336 1.00 0.00 O ATOM 1164 CB LYS A 72 0.017 9.668 9.118 1.00 0.00 C ATOM 1165 CG LYS A 72 0.709 11.036 9.017 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.261 12.108 8.497 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.588 11.885 7.012 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.702 12.741 6.550 1.00 0.00 N ATOM 0 H LYS A 72 -0.563 7.495 8.459 1.00 0.00 H new ATOM 0 HA LYS A 72 1.954 8.677 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.529 9.477 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.718 9.700 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.089 11.328 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.568 10.964 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.180 12.086 9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.178 13.096 8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.298 12.090 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.846 10.838 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.568 12.972 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.602 12.235 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.720 13.619 7.108 1.00 0.00 H new ATOM 1182 N LYS A 73 0.809 7.408 11.593 1.00 0.00 N ATOM 1183 CA LYS A 73 1.144 7.107 12.997 1.00 0.00 C ATOM 1184 C LYS A 73 1.944 5.810 13.146 1.00 0.00 C ATOM 1185 O LYS A 73 2.790 5.725 14.030 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.137 7.084 13.846 1.00 0.00 C ATOM 1187 CG LYS A 73 0.192 7.054 15.348 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.070 6.960 16.215 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.735 7.028 17.714 1.00 0.00 C ATOM 1190 NZ LYS A 73 0.119 5.895 18.154 1.00 0.00 N ATOM 0 H LYS A 73 0.095 6.784 11.217 1.00 0.00 H new ATOM 0 HA LYS A 73 1.794 7.902 13.362 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.741 7.963 13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.734 6.211 13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.840 6.204 15.559 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.748 7.953 15.615 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.750 7.771 15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.591 6.027 16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.226 7.968 17.928 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.660 7.028 18.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.234 5.928 19.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.330 4.997 17.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.052 5.966 17.700 1.00 0.00 H new ATOM 1204 N TYR A 74 1.714 4.820 12.283 1.00 0.00 N ATOM 1205 CA TYR A 74 2.539 3.607 12.158 1.00 0.00 C ATOM 1206 C TYR A 74 3.987 3.934 11.741 1.00 0.00 C ATOM 1207 O TYR A 74 4.961 3.343 12.220 1.00 0.00 O ATOM 1208 CB TYR A 74 1.862 2.714 11.108 1.00 0.00 C ATOM 1209 CG TYR A 74 2.135 1.232 11.235 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.484 0.512 12.250 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.944 0.552 10.302 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.613 -0.884 12.319 1.00 0.00 C ATOM 1213 CE2 TYR A 74 3.047 -0.852 10.352 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.369 -1.578 11.351 1.00 0.00 C ATOM 1215 OH TYR A 74 2.407 -2.933 11.357 1.00 0.00 O ATOM 0 H TYR A 74 0.929 4.835 11.632 1.00 0.00 H new ATOM 0 HA TYR A 74 2.608 3.103 13.122 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.785 2.873 11.163 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.182 3.041 10.119 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.882 1.034 12.979 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.484 1.107 9.549 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.131 -1.429 13.117 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.648 -1.374 9.622 1.00 0.00 H new ATOM 0 HH TYR A 74 1.740 -3.276 11.987 1.00 0.00 H new ATOM 1225 N ILE A 75 4.119 4.932 10.866 1.00 0.00 N ATOM 1226 CA ILE A 75 5.379 5.480 10.377 1.00 0.00 C ATOM 1227 C ILE A 75 5.330 7.009 10.590 1.00 0.00 C ATOM 1228 O ILE A 75 4.963 7.749 9.677 1.00 0.00 O ATOM 1229 CB ILE A 75 5.630 5.029 8.917 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.522 3.493 8.765 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.036 5.492 8.507 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.833 2.940 7.370 1.00 0.00 C ATOM 0 H ILE A 75 3.309 5.401 10.461 1.00 0.00 H new ATOM 0 HA ILE A 75 6.240 5.101 10.928 1.00 0.00 H new ATOM 0 HB ILE A 75 4.870 5.474 8.275 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.200 3.027 9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.512 3.189 9.039 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.235 5.185 7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.097 6.578 8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.775 5.042 9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.727 1.855 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.140 3.368 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.854 3.203 7.094 1.00 0.00 H new ATOM 1244 N PRO A 76 5.635 7.499 11.809 1.00 0.00 N ATOM 1245 CA PRO A 76 5.571 8.921 12.141 1.00 0.00 C ATOM 1246 C PRO A 76 6.671 9.688 11.399 1.00 0.00 C ATOM 1247 O PRO A 76 7.851 9.548 11.712 1.00 0.00 O ATOM 1248 CB PRO A 76 5.698 8.999 13.664 1.00 0.00 C ATOM 1249 CG PRO A 76 6.510 7.756 14.020 1.00 0.00 C ATOM 1250 CD PRO A 76 6.075 6.733 12.971 1.00 0.00 C ATOM 0 HA PRO A 76 4.637 9.387 11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.204 9.912 13.978 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.722 8.993 14.149 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.582 7.949 13.972 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.293 7.411 15.031 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.899 6.070 12.710 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.269 6.105 13.351 1.00 0.00 H new ATOM 1258 N GLY A 77 6.286 10.443 10.366 1.00 0.00 N ATOM 1259 CA GLY A 77 7.209 11.074 9.412 1.00 0.00 C ATOM 1260 C GLY A 77 7.253 10.415 8.027 1.00 0.00 C ATOM 1261 O GLY A 77 8.052 10.826 7.190 1.00 0.00 O ATOM 0 H GLY A 77 5.305 10.638 10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.926 12.120 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.213 11.062 9.837 1.00 0.00 H new ATOM 1265 N THR A 78 6.403 9.415 7.749 1.00 0.00 N ATOM 1266 CA THR A 78 6.265 8.858 6.390 1.00 0.00 C ATOM 1267 C THR A 78 5.897 9.924 5.364 1.00 0.00 C ATOM 1268 O THR A 78 5.063 10.800 5.607 1.00 0.00 O ATOM 1269 CB THR A 78 5.229 7.725 6.308 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.191 7.194 4.999 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.790 8.108 6.661 1.00 0.00 C ATOM 0 H THR A 78 5.801 8.974 8.444 1.00 0.00 H new ATOM 0 HA THR A 78 7.249 8.451 6.157 1.00 0.00 H new ATOM 0 HB THR A 78 5.571 7.011 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.529 6.472 4.958 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.147 7.232 6.569 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.753 8.479 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.443 8.886 5.981 1.00 0.00 H new ATOM 1279 N LYS A 79 6.439 9.766 4.155 1.00 0.00 N ATOM 1280 CA LYS A 79 6.037 10.520 2.965 1.00 0.00 C ATOM 1281 C LYS A 79 4.624 10.153 2.476 1.00 0.00 C ATOM 1282 O LYS A 79 4.084 10.858 1.625 1.00 0.00 O ATOM 1283 CB LYS A 79 7.105 10.319 1.876 1.00 0.00 C ATOM 1284 CG LYS A 79 7.403 11.599 1.081 1.00 0.00 C ATOM 1285 CD LYS A 79 8.459 11.354 -0.011 1.00 0.00 C ATOM 1286 CE LYS A 79 7.828 10.752 -1.275 1.00 0.00 C ATOM 1287 NZ LYS A 79 8.542 9.543 -1.749 1.00 0.00 N ATOM 0 H LYS A 79 7.186 9.096 3.971 1.00 0.00 H new ATOM 0 HA LYS A 79 5.976 11.578 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.025 9.964 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.773 9.541 1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.484 11.966 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.754 12.376 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.951 12.294 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.228 10.682 0.369 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.788 10.498 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.825 11.501 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.140 9.236 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.551 9.762 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.437 8.781 -1.049 1.00 0.00 H new ATOM 1301 N MET A 80 3.979 9.105 3.011 1.00 0.00 N ATOM 1302 CA MET A 80 2.571 8.787 2.767 1.00 0.00 C ATOM 1303 C MET A 80 1.626 9.777 3.485 1.00 0.00 C ATOM 1304 O MET A 80 0.975 9.470 4.487 1.00 0.00 O ATOM 1305 CB MET A 80 2.292 7.307 3.096 1.00 0.00 C ATOM 1306 CG MET A 80 0.852 6.935 2.723 1.00 0.00 C ATOM 1307 SD MET A 80 0.551 5.248 2.102 1.00 0.00 S ATOM 1308 CE MET A 80 -1.247 5.181 2.273 1.00 0.00 C ATOM 0 H MET A 80 4.435 8.443 3.639 1.00 0.00 H new ATOM 0 HA MET A 80 2.358 8.915 1.706 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.990 6.670 2.553 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.456 7.127 4.158 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.227 7.086 3.603 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.509 7.639 1.965 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.603 4.191 1.986 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.522 5.380 3.309 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.702 5.932 1.627 1.00 0.00 H new ATOM 1318 N ALA A 81 1.487 10.972 2.908 1.00 0.00 N ATOM 1319 CA ALA A 81 0.627 12.069 3.365 1.00 0.00 C ATOM 1320 C ALA A 81 -0.892 11.774 3.416 1.00 0.00 C ATOM 1321 O ALA A 81 -1.683 12.649 3.765 1.00 0.00 O ATOM 1322 CB ALA A 81 0.940 13.296 2.499 1.00 0.00 C ATOM 0 H ALA A 81 2.000 11.216 2.061 1.00 0.00 H new ATOM 0 HA ALA A 81 0.865 12.241 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.316 14.132 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.990 13.564 2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.737 13.065 1.453 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.287 10.537 3.137 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.646 9.995 3.047 1.00 0.00 C ATOM 1330 C PHE A 82 -3.517 10.208 4.308 1.00 0.00 C ATOM 1331 O PHE A 82 -3.023 10.523 5.395 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.496 8.505 2.707 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.777 7.796 2.324 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.430 8.149 1.131 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.304 6.775 3.137 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.594 7.470 0.738 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.474 6.101 2.750 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.113 6.442 1.543 1.00 0.00 C ATOM 0 H PHE A 82 -0.595 9.811 2.948 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.190 10.540 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.786 8.407 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.061 7.995 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.036 8.944 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.808 6.510 4.059 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.091 7.738 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.883 5.323 3.377 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.003 5.913 1.235 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.836 10.026 4.163 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.836 10.359 5.188 1.00 0.00 C ATOM 1350 C GLY A 83 -6.267 9.206 6.105 1.00 0.00 C ATOM 1351 O GLY A 83 -6.616 9.465 7.253 1.00 0.00 O ATOM 0 H GLY A 83 -5.246 9.636 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.438 11.162 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.722 10.751 4.689 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.227 7.948 5.642 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.666 6.771 6.417 1.00 0.00 C ATOM 1357 C GLY A 84 -8.168 6.458 6.285 1.00 0.00 C ATOM 1358 O GLY A 84 -9.017 7.172 6.816 1.00 0.00 O ATOM 0 H GLY A 84 -5.886 7.713 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.094 5.901 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.430 6.933 7.469 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.518 5.370 5.585 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.907 5.003 5.267 1.00 0.00 C ATOM 1364 C LEU A 85 -10.577 4.224 6.418 1.00 0.00 C ATOM 1365 O LEU A 85 -10.462 3.005 6.509 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.952 4.205 3.942 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.400 4.949 2.710 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.408 4.050 1.474 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.219 6.194 2.367 1.00 0.00 C ATOM 0 H LEU A 85 -7.834 4.709 5.217 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.480 5.922 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.387 3.282 4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.985 3.921 3.742 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.383 5.239 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.013 4.601 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.787 3.173 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.429 3.734 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.790 6.682 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.248 5.905 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.204 6.883 3.211 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.312 4.924 7.294 1.00 0.00 N ATOM 1382 CA LYS A 86 -12.091 4.410 8.454 1.00 0.00 C ATOM 1383 C LYS A 86 -13.263 3.432 8.143 1.00 0.00 C ATOM 1384 O LYS A 86 -14.217 3.343 8.921 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.567 5.617 9.298 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.474 6.191 10.214 1.00 0.00 C ATOM 1387 CD LYS A 86 -12.092 7.195 11.206 1.00 0.00 C ATOM 1388 CE LYS A 86 -11.116 7.627 12.309 1.00 0.00 C ATOM 1389 NZ LYS A 86 -10.044 8.517 11.796 1.00 0.00 N ATOM 0 H LYS A 86 -11.390 5.938 7.214 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.403 3.773 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.919 6.402 8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -13.418 5.312 9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.984 5.384 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.708 6.683 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.428 8.077 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.974 6.748 11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.666 8.141 13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.666 6.742 12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.410 8.782 12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.501 8.019 11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.470 9.374 11.389 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.245 2.699 7.024 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.286 1.735 6.626 1.00 0.00 C ATOM 1405 C LYS A 87 -13.715 0.347 6.343 1.00 0.00 C ATOM 1406 O LYS A 87 -13.209 0.085 5.261 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.097 2.271 5.429 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.071 3.415 5.769 1.00 0.00 C ATOM 1409 CD LYS A 87 -17.187 3.001 6.747 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.249 4.104 6.858 1.00 0.00 C ATOM 1411 NZ LYS A 87 -19.297 3.774 7.863 1.00 0.00 N ATOM 0 H LYS A 87 -12.484 2.760 6.348 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.964 1.621 7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.403 2.619 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.663 1.448 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.509 4.244 6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.524 3.782 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.651 2.076 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.760 2.800 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.768 5.043 7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.716 4.256 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.993 4.546 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.775 2.891 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.856 3.654 8.797 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.885 -0.554 7.306 1.00 0.00 N ATOM 1426 CA GLU A 88 -13.670 -2.010 7.222 1.00 0.00 C ATOM 1427 C GLU A 88 -13.898 -2.608 5.819 1.00 0.00 C ATOM 1428 O GLU A 88 -12.983 -3.190 5.247 1.00 0.00 O ATOM 1429 CB GLU A 88 -14.582 -2.630 8.299 1.00 0.00 C ATOM 1430 CG GLU A 88 -14.681 -4.170 8.356 1.00 0.00 C ATOM 1431 CD GLU A 88 -16.075 -4.715 7.986 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -17.090 -4.059 8.323 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -16.158 -5.739 7.274 1.00 0.00 O ATOM 0 H GLU A 88 -14.199 -0.274 8.235 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.621 -2.244 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.238 -2.280 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.587 -2.234 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.942 -4.598 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.425 -4.505 9.361 1.00 0.00 H new ATOM 1440 N LYS A 89 -15.089 -2.459 5.237 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.468 -3.097 3.961 1.00 0.00 C ATOM 1442 C LYS A 89 -14.667 -2.599 2.753 1.00 0.00 C ATOM 1443 O LYS A 89 -14.197 -3.409 1.964 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.992 -3.008 3.767 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.674 -3.425 5.079 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.992 -4.200 5.031 1.00 0.00 C ATOM 1447 CE LYS A 89 -19.162 -4.698 6.475 1.00 0.00 C ATOM 1448 NZ LYS A 89 -20.353 -5.536 6.703 1.00 0.00 N ATOM 0 H LYS A 89 -15.832 -1.886 5.638 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.195 -4.150 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.281 -1.993 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.309 -3.658 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.961 -4.029 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.849 -2.518 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.822 -3.563 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.947 -5.027 4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.276 -5.267 6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.210 -3.835 7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.387 -5.826 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.209 -4.993 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.304 -6.381 6.099 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.456 -1.282 2.681 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.560 -0.618 1.704 1.00 0.00 C ATOM 1464 C ASP A 90 -12.181 -1.280 1.739 1.00 0.00 C ATOM 1465 O ASP A 90 -11.700 -1.786 0.725 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.474 0.903 1.999 1.00 0.00 C ATOM 1467 CG ASP A 90 -12.461 1.715 1.158 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -11.256 1.373 1.181 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -12.868 2.769 0.605 1.00 0.00 O ATOM 0 H ASP A 90 -14.911 -0.623 3.313 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.966 -0.733 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.464 1.335 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.224 1.032 3.052 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.599 -1.357 2.946 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.299 -1.987 3.214 1.00 0.00 C ATOM 1476 C ARG A 91 -10.262 -3.425 2.700 1.00 0.00 C ATOM 1477 O ARG A 91 -9.327 -3.779 1.986 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.945 -1.952 4.716 1.00 0.00 C ATOM 1479 CG ARG A 91 -10.030 -0.574 5.395 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.699 0.169 5.432 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.252 0.632 4.103 1.00 0.00 N ATOM 1482 CZ ARG A 91 -7.278 1.494 3.900 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -6.725 2.134 4.893 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.848 1.743 2.695 1.00 0.00 N ATOM 0 H ARG A 91 -12.033 -0.972 3.785 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.550 -1.406 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.610 -2.636 5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.932 -2.334 4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.764 0.037 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.394 -0.702 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.788 1.028 6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.937 -0.485 5.856 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.732 0.257 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.046 1.970 5.847 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.971 2.798 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.267 1.268 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.093 2.413 2.551 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.244 -4.250 3.063 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.339 -5.647 2.621 1.00 0.00 C ATOM 1500 C ASN A 92 -11.369 -5.788 1.080 1.00 0.00 C ATOM 1501 O ASN A 92 -10.634 -6.606 0.516 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.539 -6.339 3.292 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.290 -6.755 4.738 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -11.747 -7.802 5.044 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.671 -5.954 5.699 1.00 0.00 N ATOM 0 H ASN A 92 -12.006 -3.967 3.679 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.430 -6.156 2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.396 -5.666 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.806 -7.222 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.511 -6.213 6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.128 -5.070 5.475 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.155 -4.976 0.365 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.130 -4.962 -1.106 1.00 0.00 C ATOM 1514 C ASP A 93 -10.782 -4.478 -1.680 1.00 0.00 C ATOM 1515 O ASP A 93 -10.250 -5.093 -2.610 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.304 -4.131 -1.646 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.556 -4.981 -1.875 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.433 -6.037 -2.538 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.663 -4.536 -1.514 1.00 0.00 O ATOM 0 H ASP A 93 -12.817 -4.319 0.779 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.243 -5.992 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.534 -3.330 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.011 -3.658 -2.583 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.196 -3.414 -1.112 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.886 -2.863 -1.496 1.00 0.00 C ATOM 1526 C LEU A 94 -7.789 -3.936 -1.383 1.00 0.00 C ATOM 1527 O LEU A 94 -7.050 -4.167 -2.342 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.568 -1.614 -0.637 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.779 -0.472 -1.313 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.486 -0.906 -1.996 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.642 0.287 -2.317 1.00 0.00 C ATOM 0 H LEU A 94 -10.633 -2.897 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.919 -2.551 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.511 -1.204 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.006 -1.941 0.238 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.496 0.180 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.001 -0.038 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.819 -1.356 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.712 -1.635 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.054 1.083 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.987 -0.398 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.502 0.719 -1.805 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.732 -4.648 -0.248 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.863 -5.818 -0.014 1.00 0.00 C ATOM 1545 C ILE A 95 -7.091 -6.863 -1.107 1.00 0.00 C ATOM 1546 O ILE A 95 -6.126 -7.286 -1.740 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.095 -6.431 1.392 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.658 -5.471 2.521 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.346 -7.768 1.571 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.327 -5.815 3.860 1.00 0.00 C ATOM 0 H ILE A 95 -8.308 -4.420 0.562 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.826 -5.484 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.169 -6.606 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.575 -5.515 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.908 -4.447 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.537 -8.161 2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.695 -8.483 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.276 -7.605 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.991 -5.115 4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.410 -5.745 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.056 -6.829 4.152 1.00 0.00 H new ATOM 1562 N THR A 96 -8.349 -7.259 -1.346 1.00 0.00 N ATOM 1563 CA THR A 96 -8.720 -8.270 -2.353 1.00 0.00 C ATOM 1564 C THR A 96 -8.169 -7.934 -3.748 1.00 0.00 C ATOM 1565 O THR A 96 -7.669 -8.823 -4.437 1.00 0.00 O ATOM 1566 CB THR A 96 -10.246 -8.488 -2.423 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.807 -8.742 -1.153 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.602 -9.732 -3.241 1.00 0.00 C ATOM 0 H THR A 96 -9.150 -6.882 -0.840 1.00 0.00 H new ATOM 0 HA THR A 96 -8.258 -9.201 -2.024 1.00 0.00 H new ATOM 0 HB THR A 96 -10.633 -7.570 -2.866 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.790 -7.921 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.685 -9.852 -3.268 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.224 -9.620 -4.257 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.150 -10.611 -2.781 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.214 -6.666 -4.170 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.576 -6.208 -5.412 1.00 0.00 C ATOM 1578 C TYR A 97 -6.052 -6.254 -5.354 1.00 0.00 C ATOM 1579 O TYR A 97 -5.430 -6.902 -6.192 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.014 -4.783 -5.742 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.276 -4.137 -6.909 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.293 -4.737 -8.185 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.576 -2.929 -6.723 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.682 -4.105 -9.285 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.953 -2.304 -7.821 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.029 -2.867 -9.111 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.470 -2.217 -10.168 1.00 0.00 O ATOM 0 H TYR A 97 -8.695 -5.925 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.900 -6.898 -6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.081 -4.789 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.877 -4.162 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.780 -5.692 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.517 -2.483 -5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.713 -4.568 -10.260 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.410 -1.382 -7.673 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.065 -1.379 -9.860 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.445 -5.551 -4.394 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.995 -5.390 -4.359 1.00 0.00 C ATOM 1599 C LEU A 98 -3.268 -6.723 -4.213 1.00 0.00 C ATOM 1600 O LEU A 98 -2.244 -6.938 -4.858 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.620 -4.386 -3.257 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.816 -3.211 -3.832 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.778 -2.046 -2.853 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.373 -3.611 -4.121 1.00 0.00 C ATOM 0 H LEU A 98 -5.938 -5.085 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.664 -4.988 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.525 -4.012 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.036 -4.888 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.315 -2.919 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.203 -1.227 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.794 -1.708 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.310 -2.368 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.833 -2.756 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.894 -3.938 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.359 -4.426 -4.845 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.860 -7.648 -3.452 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.512 -9.069 -3.454 1.00 0.00 C ATOM 1618 C LYS A 99 -3.465 -9.618 -4.884 1.00 0.00 C ATOM 1619 O LYS A 99 -2.398 -10.009 -5.332 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.481 -9.836 -2.538 1.00 0.00 C ATOM 1621 CG LYS A 99 -4.154 -11.331 -2.534 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.992 -12.149 -1.548 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.390 -12.201 -0.141 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.215 -13.101 -0.048 1.00 0.00 N ATOM 0 H LYS A 99 -4.613 -7.422 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.509 -9.206 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.418 -9.442 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.506 -9.684 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.303 -11.728 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.099 -11.461 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.994 -11.723 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.099 -13.165 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.096 -11.196 0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.153 -12.534 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.148 -13.486 0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.321 -13.882 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.350 -12.567 -0.268 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.569 -9.570 -5.636 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.685 -10.120 -7.005 1.00 0.00 C ATOM 1640 C LYS A 100 -3.913 -9.350 -8.089 1.00 0.00 C ATOM 1641 O LYS A 100 -3.924 -9.748 -9.252 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.168 -10.291 -7.369 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.546 -11.717 -7.822 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.173 -12.100 -9.270 1.00 0.00 C ATOM 1645 CE LYS A 100 -4.756 -12.656 -9.498 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.513 -13.949 -8.823 1.00 0.00 N ATOM 0 H LYS A 100 -5.433 -9.138 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.193 -11.093 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.776 -10.023 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.419 -9.590 -8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.068 -12.427 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.623 -11.839 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.890 -12.843 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.297 -11.217 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.590 -12.777 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.027 -11.927 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.654 -14.388 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.389 -13.790 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.325 -14.580 -8.978 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.253 -8.253 -7.725 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.232 -7.557 -8.518 1.00 0.00 C ATOM 1662 C ALA A 101 -0.777 -8.004 -8.217 1.00 0.00 C ATOM 1663 O ALA A 101 0.147 -7.601 -8.930 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.407 -6.049 -8.315 1.00 0.00 C ATOM 0 H ALA A 101 -3.421 -7.800 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.386 -7.825 -9.563 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.656 -5.514 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.402 -5.751 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.287 -5.808 -7.259 1.00 0.00 H new ATOM 1670 N THR A 102 -0.563 -8.831 -7.184 1.00 0.00 N ATOM 1671 CA THR A 102 0.715 -9.487 -6.832 1.00 0.00 C ATOM 1672 C THR A 102 0.642 -11.023 -6.958 1.00 0.00 C ATOM 1673 O THR A 102 1.593 -11.612 -7.462 1.00 0.00 O ATOM 1674 CB THR A 102 1.162 -9.084 -5.413 1.00 0.00 C ATOM 1675 OG1 THR A 102 1.519 -7.713 -5.383 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.391 -9.839 -4.905 1.00 0.00 C ATOM 0 H THR A 102 -1.311 -9.076 -6.535 1.00 0.00 H new ATOM 0 HA THR A 102 1.458 -9.140 -7.550 1.00 0.00 H new ATOM 0 HB THR A 102 0.307 -9.321 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.919 -7.498 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.639 -9.496 -3.900 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.177 -10.908 -4.881 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.234 -9.652 -5.571 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.465 -11.658 -6.535 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.701 -13.124 -6.488 1.00 0.00 C ATOM 1686 C GLU A 103 -2.013 -13.552 -7.169 1.00 0.00 C ATOM 1687 O GLU A 103 -1.959 -14.285 -8.184 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.617 -13.663 -5.033 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.482 -12.897 -4.011 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.645 -13.567 -2.631 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.609 -14.345 -2.428 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -0.995 -13.121 -1.658 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.120 -13.155 -6.741 1.00 0.00 O ATOM 0 H GLU A 103 -1.272 -11.136 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 103 0.102 -13.578 -7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.918 -14.711 -5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.422 -13.629 -4.707 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.047 -11.908 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.473 -12.749 -4.441 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 0.938 4.777 -0.208 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.187 3.805 0.861 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.040 1.501 -0.268 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.205 5.871 -1.127 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.223 7.982 -0.881 1.00 0.00 C HETATM 1706 NA HEC A 104 1.914 2.959 0.243 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.214 2.811 0.676 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.429 1.397 0.895 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.262 0.751 0.535 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.292 1.755 0.137 1.00 0.00 C HETATM 1711 CMA HEC A 104 2.034 -0.739 0.614 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.688 0.741 1.442 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.821 0.577 0.417 1.00 0.00 C HETATM 1714 CGA HEC A 104 7.053 -0.200 0.930 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.253 -0.339 2.158 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.864 -0.665 0.101 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.847 3.847 -0.569 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.014 2.496 -0.552 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.400 2.254 -0.907 1.00 0.00 C HETATM 1720 C3B HEC A 104 -3.030 3.481 -1.018 1.00 0.00 C HETATM 1721 C4B HEC A 104 -2.006 4.493 -0.901 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.035 0.901 -1.140 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.515 3.745 -1.214 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.345 3.258 -0.023 1.00 0.00 C HETATM 1725 NC HEC A 104 0.128 6.647 -0.820 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.177 6.822 -1.143 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.327 8.179 -1.613 1.00 0.00 C HETATM 1728 C3C HEC A 104 -0.071 8.758 -1.607 1.00 0.00 C HETATM 1729 C4C HEC A 104 0.846 7.780 -1.059 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.588 8.740 -2.232 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.327 10.071 -2.260 1.00 0.00 C HETATM 1732 CBC HEC A 104 -0.119 11.289 -1.448 1.00 0.00 C HETATM 1733 ND HEC A 104 2.867 5.740 -0.008 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.101 7.031 -0.351 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.503 7.265 -0.136 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.009 6.181 0.546 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.007 5.143 0.471 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.270 8.434 -0.689 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.257 6.180 1.406 1.00 0.00 C HETATM 1740 CBD HEC A 104 7.573 5.997 0.645 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.647 6.975 1.131 1.00 0.00 C HETATM 1742 O1D HEC A 104 9.182 6.801 2.254 1.00 0.00 O HETATM 1743 O2D HEC A 104 8.899 7.946 0.385 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.218 8.421 -1.778 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 4.837 9.362 -0.316 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.311 8.367 -0.374 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.837 8.172 -3.129 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.408 8.667 -1.517 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.429 9.785 -2.497 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.525 0.396 -1.961 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.950 0.299 -0.235 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.087 1.032 -1.392 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.762 -1.252 -0.015 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.149 -1.070 1.646 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 1.027 -0.972 0.268 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 7.928 4.974 0.771 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 7.401 6.145 -0.421 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -1.204 11.281 -1.346 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.338 11.254 -0.459 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.191 12.200 -1.959 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.204 2.185 0.104 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.023 3.776 0.881 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.399 3.466 -0.205 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.426 0.065 -0.461 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 6.143 1.566 0.091 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.301 7.121 1.955 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 6.169 5.383 2.145 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.056 1.334 2.279 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.428 -0.241 1.837 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.637 8.946 -1.176 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.224 6.218 -1.300 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.343 0.459 -0.370 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.130 3.525 1.331 1.00 0.00 H new HETATM 0 H2D HEC A 104 9.561 8.526 0.816 1.00 0.00 H new HETATM 0 H2A HEC A 104 8.295 -1.461 0.476 1.00 0.00 H new