USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 15 HIS : no HD1:sc= 1.03 K(o=2.3,f=-5.5!) USER MOD Set 1.2: A 20 SER OG : rot -155:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -152:sc= 1.76 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 2.17 (180deg=2.17) USER MOD Single : A 16 ASN : amide:sc= -2.28 K(o=-2.3,f=-13!) USER MOD Single : A 17 ASN : amide:sc=-0.000574 K(o=-0.00057,f=-1.1) USER MOD Single : A 18 SER OG : rot 180:sc= 0.235 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.131 USER MOD Single : A 26 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=-0.032) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -147:sc= 1.17 (180deg=0.502) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 THR OG1 : rot -84:sc= 0.764 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 27:sc= 1.24 USER MOD Single : A 57 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3.6!) USER MOD Single : A 64 SER OG : rot 102:sc= 1.25 USER MOD Single : A 65 THR OG1 : rot -102:sc= 0.0558 USER MOD Single : A 71 SER OG : rot -82:sc= 0.931 USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= 1.16 (180deg=1.08) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-4.7!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.532 (180deg=-0.532) USER MOD Single : A 201 HEM CMB :methyl 150:sc= -0.391 (180deg=-0.391) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.696 (180deg=-0.696) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.686 (180deg=-0.686) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.365 -8.949 -19.256 1.00 10.00 N ATOM 2 CA ALA A 3 0.500 -7.759 -19.173 1.00 10.00 C ATOM 3 C ALA A 3 0.281 -7.468 -17.694 1.00 10.00 C ATOM 4 O ALA A 3 0.887 -8.166 -16.882 1.00 10.00 O ATOM 5 CB ALA A 3 -0.818 -7.979 -19.925 1.00 10.00 C ATOM 0 HA ALA A 3 0.970 -6.900 -19.652 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -1.436 -7.084 -19.846 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -0.608 -8.184 -20.975 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -1.349 -8.826 -19.489 1.00 10.00 H new ATOM 13 N VAL A 4 -0.541 -6.475 -17.347 1.00 10.00 N ATOM 14 CA VAL A 4 -0.906 -6.241 -15.957 1.00 10.00 C ATOM 15 C VAL A 4 -1.660 -7.463 -15.423 1.00 10.00 C ATOM 16 O VAL A 4 -2.394 -8.107 -16.172 1.00 10.00 O ATOM 17 CB VAL A 4 -1.712 -4.934 -15.836 1.00 10.00 C ATOM 18 CG1 VAL A 4 -3.083 -4.995 -16.523 1.00 10.00 C ATOM 19 CG2 VAL A 4 -1.893 -4.540 -14.367 1.00 10.00 C ATOM 0 H VAL A 4 -0.963 -5.825 -18.010 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.015 -6.113 -15.342 1.00 10.00 H new ATOM 0 HB VAL A 4 -1.126 -4.176 -16.356 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.595 -4.041 -16.398 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.949 -5.198 -17.585 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.680 -5.789 -16.074 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.465 -3.614 -14.306 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -2.427 -5.331 -13.841 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -0.916 -4.394 -13.907 1.00 10.00 H new ATOM 29 N LYS A 5 -1.465 -7.788 -14.143 1.00 10.00 N ATOM 30 CA LYS A 5 -2.149 -8.876 -13.466 1.00 10.00 C ATOM 31 C LYS A 5 -2.932 -8.277 -12.303 1.00 10.00 C ATOM 32 O LYS A 5 -2.342 -7.768 -11.356 1.00 10.00 O ATOM 33 CB LYS A 5 -1.124 -9.928 -13.021 1.00 10.00 C ATOM 34 CG LYS A 5 -1.784 -11.091 -12.266 1.00 10.00 C ATOM 35 CD LYS A 5 -0.849 -12.308 -12.261 1.00 10.00 C ATOM 36 CE LYS A 5 -1.418 -13.424 -11.372 1.00 10.00 C ATOM 37 NZ LYS A 5 -0.651 -14.682 -11.496 1.00 10.00 N ATOM 0 H LYS A 5 -0.812 -7.287 -13.541 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.851 -9.388 -14.124 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.599 -10.314 -13.894 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.377 -9.458 -12.382 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.009 -10.790 -11.243 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.731 -11.351 -12.738 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.718 -12.677 -13.278 1.00 10.00 H new ATOM 0 HD3 LYS A 5 0.137 -12.015 -11.899 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -1.411 -13.097 -10.332 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.458 -13.606 -11.642 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.070 -15.407 -10.879 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.678 -15.010 -12.483 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 0.336 -14.516 -11.214 1.00 10.00 H new ATOM 51 N TYR A 6 -4.261 -8.308 -12.397 1.00 10.00 N ATOM 52 CA TYR A 6 -5.133 -7.846 -11.330 1.00 10.00 C ATOM 53 C TYR A 6 -5.062 -8.802 -10.140 1.00 10.00 C ATOM 54 O TYR A 6 -4.698 -9.966 -10.310 1.00 10.00 O ATOM 55 CB TYR A 6 -6.563 -7.709 -11.851 1.00 10.00 C ATOM 56 CG TYR A 6 -6.699 -6.961 -13.161 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.750 -5.558 -13.157 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.739 -7.658 -14.383 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.760 -4.847 -14.369 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.764 -6.949 -15.597 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.760 -5.543 -15.589 1.00 10.00 C ATOM 62 OH TYR A 6 -6.750 -4.850 -16.762 1.00 10.00 O ATOM 0 H TYR A 6 -4.758 -8.655 -13.217 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.801 -6.865 -10.990 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.986 -8.706 -11.974 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.162 -7.200 -11.096 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.782 -5.023 -12.219 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.750 -8.738 -14.388 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.768 -3.767 -14.362 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.786 -7.484 -16.535 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.750 -5.479 -17.514 1.00 10.00 H new ATOM 72 N TYR A 7 -5.415 -8.315 -8.947 1.00 10.00 N ATOM 73 CA TYR A 7 -5.421 -9.106 -7.725 1.00 10.00 C ATOM 74 C TYR A 7 -6.723 -8.852 -6.965 1.00 10.00 C ATOM 75 O TYR A 7 -7.223 -7.726 -6.949 1.00 10.00 O ATOM 76 CB TYR A 7 -4.195 -8.751 -6.881 1.00 10.00 C ATOM 77 CG TYR A 7 -2.869 -8.862 -7.608 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.332 -10.129 -7.903 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.164 -7.702 -7.979 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.073 -10.235 -8.521 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.924 -7.809 -8.630 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.373 -9.073 -8.888 1.00 10.00 C ATOM 83 OH TYR A 7 0.860 -9.168 -9.461 1.00 10.00 O ATOM 0 H TYR A 7 -5.707 -7.348 -8.807 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.369 -10.169 -7.961 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.307 -7.731 -6.513 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.171 -9.404 -6.008 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.887 -11.021 -7.654 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.577 -6.728 -7.763 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.645 -11.208 -8.713 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.394 -6.918 -8.932 1.00 10.00 H new ATOM 0 HH TYR A 7 1.202 -8.270 -9.653 1.00 10.00 H new ATOM 93 N THR A 8 -7.309 -9.907 -6.397 1.00 10.00 N ATOM 94 CA THR A 8 -8.560 -9.840 -5.657 1.00 10.00 C ATOM 95 C THR A 8 -8.284 -9.278 -4.263 1.00 10.00 C ATOM 96 O THR A 8 -7.155 -9.354 -3.776 1.00 10.00 O ATOM 97 CB THR A 8 -9.144 -11.258 -5.540 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.213 -12.028 -4.814 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.411 -11.907 -6.900 1.00 10.00 C ATOM 0 H THR A 8 -6.916 -10.847 -6.442 1.00 10.00 H new ATOM 0 HA THR A 8 -9.271 -9.194 -6.173 1.00 10.00 H new ATOM 0 HB THR A 8 -10.110 -11.204 -5.038 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.286 -12.968 -5.082 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.822 -12.906 -6.752 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.123 -11.300 -7.459 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.478 -11.978 -7.459 1.00 10.00 H new ATOM 107 N LEU A 9 -9.317 -8.765 -3.591 1.00 10.00 N ATOM 108 CA LEU A 9 -9.204 -8.362 -2.195 1.00 10.00 C ATOM 109 C LEU A 9 -8.636 -9.521 -1.369 1.00 10.00 C ATOM 110 O LEU A 9 -7.715 -9.329 -0.587 1.00 10.00 O ATOM 111 CB LEU A 9 -10.577 -7.909 -1.672 1.00 10.00 C ATOM 112 CG LEU A 9 -10.508 -6.601 -0.865 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.915 -6.183 -0.425 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.613 -6.726 0.372 1.00 10.00 C ATOM 0 H LEU A 9 -10.242 -8.620 -3.996 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.519 -7.519 -2.105 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.255 -7.775 -2.515 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.999 -8.695 -1.045 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.073 -5.845 -1.519 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.857 -5.256 0.146 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.541 -6.029 -1.304 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.349 -6.966 0.197 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.597 -5.777 0.907 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -10.004 -7.505 1.026 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.600 -6.985 0.064 1.00 10.00 H new ATOM 126 N GLU A 10 -9.169 -10.726 -1.596 1.00 10.00 N ATOM 127 CA GLU A 10 -8.723 -11.998 -1.035 1.00 10.00 C ATOM 128 C GLU A 10 -7.211 -12.166 -1.161 1.00 10.00 C ATOM 129 O GLU A 10 -6.494 -12.221 -0.163 1.00 10.00 O ATOM 130 CB GLU A 10 -9.487 -13.105 -1.774 1.00 10.00 C ATOM 131 CG GLU A 10 -9.028 -14.551 -1.545 1.00 10.00 C ATOM 132 CD GLU A 10 -9.162 -15.094 -0.132 1.00 10.00 C ATOM 133 OE1 GLU A 10 -9.781 -14.421 0.714 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.600 -16.199 0.056 1.00 10.00 O ATOM 0 H GLU A 10 -9.972 -10.842 -2.214 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.934 -12.043 0.033 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.538 -13.036 -1.492 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.430 -12.898 -2.843 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.596 -15.198 -2.213 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.982 -14.627 -1.841 1.00 10.00 H new ATOM 141 N GLU A 11 -6.729 -12.268 -2.400 1.00 10.00 N ATOM 142 CA GLU A 11 -5.316 -12.423 -2.688 1.00 10.00 C ATOM 143 C GLU A 11 -4.520 -11.331 -1.981 1.00 10.00 C ATOM 144 O GLU A 11 -3.594 -11.631 -1.230 1.00 10.00 O ATOM 145 CB GLU A 11 -5.083 -12.406 -4.202 1.00 10.00 C ATOM 146 CG GLU A 11 -5.081 -13.813 -4.820 1.00 10.00 C ATOM 147 CD GLU A 11 -6.304 -14.642 -4.449 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.351 -14.438 -5.101 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.163 -15.462 -3.513 1.00 10.00 O ATOM 0 H GLU A 11 -7.318 -12.244 -3.233 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.970 -13.385 -2.312 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.859 -11.806 -4.678 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.130 -11.920 -4.413 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -5.028 -13.724 -5.905 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.183 -14.341 -4.499 1.00 10.00 H new ATOM 156 N ILE A 12 -4.889 -10.068 -2.199 1.00 10.00 N ATOM 157 CA ILE A 12 -4.174 -8.949 -1.604 1.00 10.00 C ATOM 158 C ILE A 12 -4.109 -9.140 -0.082 1.00 10.00 C ATOM 159 O ILE A 12 -3.026 -9.008 0.480 1.00 10.00 O ATOM 160 CB ILE A 12 -4.781 -7.605 -2.053 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.719 -7.470 -3.589 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.015 -6.414 -1.455 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.718 -6.437 -4.110 1.00 10.00 C ATOM 0 H ILE A 12 -5.680 -9.799 -2.784 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.144 -8.923 -1.960 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.814 -7.594 -1.704 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.711 -7.183 -3.888 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.924 -8.437 -4.047 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.470 -5.483 -1.792 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.056 -6.465 -0.367 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.976 -6.449 -1.781 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.642 -6.373 -5.195 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.729 -6.737 -3.834 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.496 -5.464 -3.672 1.00 10.00 H new ATOM 175 N GLN A 13 -5.220 -9.542 0.555 1.00 10.00 N ATOM 176 CA GLN A 13 -5.347 -9.763 1.992 1.00 10.00 C ATOM 177 C GLN A 13 -4.466 -10.889 2.553 1.00 10.00 C ATOM 178 O GLN A 13 -4.380 -11.045 3.774 1.00 10.00 O ATOM 179 CB GLN A 13 -6.810 -10.002 2.380 1.00 10.00 C ATOM 180 CG GLN A 13 -7.485 -8.680 2.771 1.00 10.00 C ATOM 181 CD GLN A 13 -8.847 -8.870 3.429 1.00 10.00 C ATOM 182 OE1 GLN A 13 -9.364 -9.977 3.533 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.438 -7.780 3.911 1.00 10.00 N ATOM 0 H GLN A 13 -6.089 -9.728 0.054 1.00 10.00 H new ATOM 0 HA GLN A 13 -4.980 -8.844 2.448 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.344 -10.457 1.546 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.862 -10.704 3.212 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -6.833 -8.135 3.453 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -7.602 -8.063 1.880 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.988 -6.870 3.812 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -10.341 -7.854 4.379 1.00 10.00 H new ATOM 192 N LYS A 14 -3.809 -11.670 1.698 1.00 10.00 N ATOM 193 CA LYS A 14 -2.790 -12.618 2.125 1.00 10.00 C ATOM 194 C LYS A 14 -1.457 -11.892 2.339 1.00 10.00 C ATOM 195 O LYS A 14 -0.707 -12.203 3.266 1.00 10.00 O ATOM 196 CB LYS A 14 -2.701 -13.771 1.111 1.00 10.00 C ATOM 197 CG LYS A 14 -4.049 -14.506 1.103 1.00 10.00 C ATOM 198 CD LYS A 14 -4.270 -15.486 -0.058 1.00 10.00 C ATOM 199 CE LYS A 14 -5.741 -15.918 0.061 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.309 -16.570 -1.133 1.00 10.00 N ATOM 0 H LYS A 14 -3.970 -11.661 0.691 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.058 -13.061 3.084 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.471 -13.387 0.117 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.897 -14.455 1.382 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.148 -15.054 2.040 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.846 -13.763 1.083 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.075 -15.010 -1.019 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.600 -16.343 0.015 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.834 -16.601 0.905 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.342 -15.039 0.294 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.302 -16.822 -0.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -6.259 -15.918 -1.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.767 -17.431 -1.349 1.00 10.00 H new ATOM 214 N HIS A 15 -1.153 -10.904 1.498 1.00 10.00 N ATOM 215 CA HIS A 15 0.128 -10.217 1.514 1.00 10.00 C ATOM 216 C HIS A 15 0.099 -9.067 2.526 1.00 10.00 C ATOM 217 O HIS A 15 0.184 -7.908 2.132 1.00 10.00 O ATOM 218 CB HIS A 15 0.460 -9.709 0.106 1.00 10.00 C ATOM 219 CG HIS A 15 0.808 -10.787 -0.889 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.051 -11.014 -1.433 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.057 -11.683 -1.454 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.932 -12.022 -2.312 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.667 -12.470 -2.356 1.00 10.00 N ATOM 0 H HIS A 15 -1.795 -10.559 0.784 1.00 10.00 H new ATOM 0 HA HIS A 15 0.909 -10.913 1.821 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.393 -9.146 -0.273 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.296 -9.013 0.174 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.112 -11.768 -1.241 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.744 -12.419 -2.904 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.306 -13.231 -2.931 1.00 10.00 H new ATOM 231 N ASN A 16 -0.019 -9.368 3.823 1.00 10.00 N ATOM 232 CA ASN A 16 -0.191 -8.342 4.869 1.00 10.00 C ATOM 233 C ASN A 16 -0.261 -8.975 6.253 1.00 10.00 C ATOM 234 O ASN A 16 -1.157 -8.682 7.045 1.00 10.00 O ATOM 235 CB ASN A 16 -1.473 -7.538 4.629 1.00 10.00 C ATOM 236 CG ASN A 16 -2.608 -8.488 4.342 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.833 -8.778 3.183 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.266 -9.046 5.348 1.00 10.00 N ATOM 0 H ASN A 16 0.001 -10.323 4.181 1.00 10.00 H new ATOM 0 HA ASN A 16 0.674 -7.680 4.821 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.704 -6.930 5.504 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.336 -6.853 3.792 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.987 -9.743 5.162 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.051 -8.779 6.309 1.00 10.00 H new ATOM 245 N ASN A 17 0.678 -9.867 6.554 1.00 10.00 N ATOM 246 CA ASN A 17 0.652 -10.595 7.821 1.00 10.00 C ATOM 247 C ASN A 17 1.986 -11.301 8.042 1.00 10.00 C ATOM 248 O ASN A 17 2.025 -12.502 8.292 1.00 10.00 O ATOM 249 CB ASN A 17 -0.535 -11.575 7.854 1.00 10.00 C ATOM 250 CG ASN A 17 -0.864 -12.051 9.267 1.00 10.00 C ATOM 251 OD1 ASN A 17 -0.159 -11.756 10.227 1.00 10.00 O ATOM 252 ND2 ASN A 17 -1.975 -12.768 9.416 1.00 10.00 N ATOM 0 H ASN A 17 1.461 -10.103 5.944 1.00 10.00 H new ATOM 0 HA ASN A 17 0.510 -9.891 8.641 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -1.412 -11.092 7.424 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -0.307 -12.438 7.228 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -2.257 -13.085 10.344 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -2.545 -13.001 8.603 1.00 10.00 H new ATOM 259 N SER A 18 3.081 -10.547 7.885 1.00 10.00 N ATOM 260 CA SER A 18 4.473 -10.988 7.939 1.00 10.00 C ATOM 261 C SER A 18 5.304 -9.842 7.339 1.00 10.00 C ATOM 262 O SER A 18 5.199 -8.704 7.808 1.00 10.00 O ATOM 263 CB SER A 18 4.654 -12.361 7.245 1.00 10.00 C ATOM 264 OG SER A 18 6.012 -12.704 7.030 1.00 10.00 O ATOM 0 H SER A 18 3.009 -9.546 7.705 1.00 10.00 H new ATOM 0 HA SER A 18 4.816 -11.175 8.956 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.183 -13.133 7.853 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.133 -12.348 6.287 1.00 10.00 H new ATOM 0 HG SER A 18 6.063 -13.579 6.592 1.00 10.00 H new ATOM 270 N LYS A 19 6.100 -10.130 6.307 1.00 10.00 N ATOM 271 CA LYS A 19 6.867 -9.168 5.527 1.00 10.00 C ATOM 272 C LYS A 19 6.044 -8.613 4.364 1.00 10.00 C ATOM 273 O LYS A 19 6.073 -7.411 4.098 1.00 10.00 O ATOM 274 CB LYS A 19 8.114 -9.847 4.949 1.00 10.00 C ATOM 275 CG LYS A 19 9.133 -10.233 6.028 1.00 10.00 C ATOM 276 CD LYS A 19 10.468 -10.660 5.395 1.00 10.00 C ATOM 277 CE LYS A 19 11.265 -9.452 4.868 1.00 10.00 C ATOM 278 NZ LYS A 19 12.521 -9.856 4.204 1.00 10.00 N ATOM 0 H LYS A 19 6.231 -11.087 5.980 1.00 10.00 H new ATOM 0 HA LYS A 19 7.145 -8.350 6.192 1.00 10.00 H new ATOM 0 HB2 LYS A 19 7.815 -10.741 4.402 1.00 10.00 H new ATOM 0 HB3 LYS A 19 8.587 -9.177 4.231 1.00 10.00 H new ATOM 0 HG2 LYS A 19 9.297 -9.389 6.697 1.00 10.00 H new ATOM 0 HG3 LYS A 19 8.736 -11.048 6.634 1.00 10.00 H new ATOM 0 HD2 LYS A 19 11.065 -11.195 6.133 1.00 10.00 H new ATOM 0 HD3 LYS A 19 10.276 -11.354 4.576 1.00 10.00 H new ATOM 0 HE2 LYS A 19 10.649 -8.892 4.165 1.00 10.00 H new ATOM 0 HE3 LYS A 19 11.494 -8.781 5.696 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 13.023 -9.010 3.866 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 13.122 -10.368 4.881 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 12.304 -10.475 3.397 1.00 10.00 H new ATOM 292 N SER A 20 5.385 -9.502 3.614 1.00 10.00 N ATOM 293 CA SER A 20 4.666 -9.092 2.417 1.00 10.00 C ATOM 294 C SER A 20 3.556 -8.124 2.828 1.00 10.00 C ATOM 295 O SER A 20 2.791 -8.446 3.735 1.00 10.00 O ATOM 296 CB SER A 20 4.120 -10.296 1.643 1.00 10.00 C ATOM 297 OG SER A 20 3.879 -9.928 0.296 1.00 10.00 O ATOM 0 H SER A 20 5.338 -10.500 3.817 1.00 10.00 H new ATOM 0 HA SER A 20 5.350 -8.587 1.735 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.832 -11.120 1.683 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.198 -10.649 2.104 1.00 10.00 H new ATOM 0 HG SER A 20 3.190 -10.512 -0.084 1.00 10.00 H new ATOM 303 N THR A 21 3.506 -6.961 2.177 1.00 10.00 N ATOM 304 CA THR A 21 2.618 -5.856 2.490 1.00 10.00 C ATOM 305 C THR A 21 2.155 -5.225 1.178 1.00 10.00 C ATOM 306 O THR A 21 2.809 -4.326 0.644 1.00 10.00 O ATOM 307 CB THR A 21 3.349 -4.855 3.394 1.00 10.00 C ATOM 308 OG1 THR A 21 3.612 -5.470 4.640 1.00 10.00 O ATOM 309 CG2 THR A 21 2.516 -3.591 3.618 1.00 10.00 C ATOM 0 H THR A 21 4.114 -6.761 1.382 1.00 10.00 H new ATOM 0 HA THR A 21 1.737 -6.197 3.034 1.00 10.00 H new ATOM 0 HB THR A 21 4.279 -4.564 2.906 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.366 -6.089 4.546 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.064 -2.904 4.263 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.319 -3.111 2.660 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.571 -3.857 4.091 1.00 10.00 H new ATOM 317 N TRP A 22 1.029 -5.722 0.667 1.00 10.00 N ATOM 318 CA TRP A 22 0.264 -5.140 -0.416 1.00 10.00 C ATOM 319 C TRP A 22 -0.921 -4.393 0.185 1.00 10.00 C ATOM 320 O TRP A 22 -1.183 -4.512 1.379 1.00 10.00 O ATOM 321 CB TRP A 22 -0.241 -6.243 -1.344 1.00 10.00 C ATOM 322 CG TRP A 22 0.775 -7.042 -2.093 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.115 -6.967 -1.966 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.535 -8.002 -3.162 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.715 -7.799 -2.878 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.790 -8.469 -3.651 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.625 -8.490 -3.794 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.886 -9.378 -4.715 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.544 -9.406 -4.854 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.708 -9.855 -5.314 1.00 10.00 C ATOM 0 H TRP A 22 0.612 -6.583 1.020 1.00 10.00 H new ATOM 0 HA TRP A 22 0.889 -4.457 -0.992 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.838 -6.934 -0.749 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.912 -5.787 -2.072 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.638 -6.346 -1.254 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.725 -7.909 -2.973 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.594 -8.153 -3.457 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.852 -9.707 -5.069 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.448 -9.769 -5.320 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.763 -10.565 -6.126 1.00 10.00 H new ATOM 341 N LEU A 23 -1.638 -3.615 -0.627 1.00 10.00 N ATOM 342 CA LEU A 23 -2.775 -2.808 -0.208 1.00 10.00 C ATOM 343 C LEU A 23 -3.381 -2.155 -1.448 1.00 10.00 C ATOM 344 O LEU A 23 -2.754 -2.195 -2.507 1.00 10.00 O ATOM 345 CB LEU A 23 -2.382 -1.785 0.873 1.00 10.00 C ATOM 346 CG LEU A 23 -0.984 -1.167 0.700 1.00 10.00 C ATOM 347 CD1 LEU A 23 -0.925 -0.158 -0.442 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.589 -0.449 1.983 1.00 10.00 C ATOM 0 H LEU A 23 -1.434 -3.529 -1.623 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.528 -3.442 0.260 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.120 -0.983 0.879 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.431 -2.271 1.848 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.301 -1.985 0.469 1.00 10.00 H new ATOM 0 HD11 LEU A 23 0.084 0.246 -0.519 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.190 -0.651 -1.377 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.627 0.653 -0.248 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.401 -0.010 1.864 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.312 0.338 2.197 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.573 -1.161 2.808 1.00 10.00 H new ATOM 360 N ILE A 24 -4.586 -1.585 -1.318 1.00 10.00 N ATOM 361 CA ILE A 24 -5.344 -0.979 -2.411 1.00 10.00 C ATOM 362 C ILE A 24 -5.483 0.515 -2.140 1.00 10.00 C ATOM 363 O ILE A 24 -6.214 0.912 -1.225 1.00 10.00 O ATOM 364 CB ILE A 24 -6.734 -1.627 -2.544 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.611 -3.104 -2.947 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.567 -0.890 -3.607 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.872 -3.880 -2.544 1.00 10.00 C ATOM 0 H ILE A 24 -5.071 -1.533 -0.422 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.813 -1.140 -3.349 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.228 -1.558 -1.575 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.458 -3.181 -4.023 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.737 -3.546 -2.468 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.547 -1.359 -3.690 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.687 0.153 -3.316 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.057 -0.942 -4.569 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.766 -4.924 -2.838 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.007 -3.819 -1.464 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.740 -3.449 -3.043 1.00 10.00 H new ATOM 379 N LEU A 25 -4.804 1.337 -2.945 1.00 10.00 N ATOM 380 CA LEU A 25 -4.962 2.778 -2.939 1.00 10.00 C ATOM 381 C LEU A 25 -5.569 3.154 -4.291 1.00 10.00 C ATOM 382 O LEU A 25 -4.951 2.935 -5.330 1.00 10.00 O ATOM 383 CB LEU A 25 -3.613 3.474 -2.726 1.00 10.00 C ATOM 384 CG LEU A 25 -2.995 3.537 -1.324 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.588 2.538 -0.350 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.467 3.423 -1.394 1.00 10.00 C ATOM 0 H LEU A 25 -4.121 1.006 -3.626 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.608 3.099 -2.122 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.889 2.984 -3.377 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.718 4.499 -3.080 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.251 4.517 -0.922 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.101 2.642 0.620 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.656 2.726 -0.242 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.434 1.527 -0.727 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.052 3.470 -0.387 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.194 2.474 -1.855 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.068 4.244 -1.990 1.00 10.00 H new ATOM 398 N HIS A 26 -6.793 3.682 -4.287 1.00 10.00 N ATOM 399 CA HIS A 26 -7.497 4.141 -5.479 1.00 10.00 C ATOM 400 C HIS A 26 -7.547 3.025 -6.528 1.00 10.00 C ATOM 401 O HIS A 26 -7.183 3.223 -7.685 1.00 10.00 O ATOM 402 CB HIS A 26 -6.876 5.438 -6.019 1.00 10.00 C ATOM 403 CG HIS A 26 -6.746 6.526 -4.982 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.728 7.403 -4.577 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.628 6.789 -4.239 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.203 8.179 -3.612 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.923 7.846 -3.373 1.00 10.00 N ATOM 0 H HIS A 26 -7.334 3.804 -3.431 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.527 4.380 -5.215 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.889 5.216 -6.426 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.485 5.806 -6.844 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.683 6.271 -4.309 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.738 8.964 -3.098 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.294 8.278 -2.696 1.00 10.00 H new ATOM 415 N TYR A 27 -7.976 1.836 -6.094 1.00 10.00 N ATOM 416 CA TYR A 27 -8.115 0.629 -6.905 1.00 10.00 C ATOM 417 C TYR A 27 -6.781 0.056 -7.413 1.00 10.00 C ATOM 418 O TYR A 27 -6.791 -0.996 -8.051 1.00 10.00 O ATOM 419 CB TYR A 27 -9.110 0.832 -8.059 1.00 10.00 C ATOM 420 CG TYR A 27 -10.441 1.453 -7.668 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.500 0.630 -7.246 1.00 10.00 C ATOM 422 CD2 TYR A 27 -10.630 2.847 -7.732 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.727 1.195 -6.860 1.00 10.00 C ATOM 424 CE2 TYR A 27 -11.844 3.416 -7.310 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.893 2.589 -6.872 1.00 10.00 C ATOM 426 OH TYR A 27 -14.074 3.131 -6.464 1.00 10.00 O ATOM 0 H TYR A 27 -8.248 1.685 -5.122 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.520 -0.124 -6.229 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.641 1.463 -8.814 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.302 -0.134 -8.526 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -11.370 -0.442 -7.218 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.840 3.481 -8.106 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.543 0.557 -6.554 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.971 4.488 -7.322 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.027 4.108 -6.532 1.00 10.00 H new ATOM 436 N LYS A 28 -5.642 0.706 -7.145 1.00 10.00 N ATOM 437 CA LYS A 28 -4.328 0.266 -7.598 1.00 10.00 C ATOM 438 C LYS A 28 -3.652 -0.506 -6.458 1.00 10.00 C ATOM 439 O LYS A 28 -3.660 -0.039 -5.315 1.00 10.00 O ATOM 440 CB LYS A 28 -3.506 1.494 -8.016 1.00 10.00 C ATOM 441 CG LYS A 28 -4.082 2.266 -9.212 1.00 10.00 C ATOM 442 CD LYS A 28 -3.623 1.662 -10.542 1.00 10.00 C ATOM 443 CE LYS A 28 -4.280 2.403 -11.717 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.103 1.700 -13.005 1.00 10.00 N ATOM 0 H LYS A 28 -5.613 1.566 -6.598 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.410 -0.394 -8.461 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.429 2.171 -7.165 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.494 1.172 -8.260 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.171 2.256 -9.163 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.770 3.309 -9.158 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.538 1.726 -10.623 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.884 0.604 -10.578 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.345 2.522 -11.516 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.856 3.404 -11.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.030 2.397 -13.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.235 1.128 -12.972 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.920 1.079 -13.177 1.00 10.00 H new ATOM 458 N VAL A 29 -3.091 -1.683 -6.763 1.00 10.00 N ATOM 459 CA VAL A 29 -2.357 -2.513 -5.818 1.00 10.00 C ATOM 460 C VAL A 29 -0.876 -2.132 -5.845 1.00 10.00 C ATOM 461 O VAL A 29 -0.268 -2.078 -6.919 1.00 10.00 O ATOM 462 CB VAL A 29 -2.522 -4.007 -6.134 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.040 -4.855 -4.949 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.975 -4.373 -6.421 1.00 10.00 C ATOM 0 H VAL A 29 -3.140 -2.088 -7.698 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.764 -2.338 -4.822 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.924 -4.210 -7.023 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.162 -5.912 -5.185 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.988 -4.645 -4.756 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.627 -4.611 -4.064 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.045 -5.439 -6.639 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.588 -4.140 -5.550 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.331 -3.803 -7.279 1.00 10.00 H new ATOM 474 N TYR A 30 -0.298 -1.897 -4.665 1.00 10.00 N ATOM 475 CA TYR A 30 1.094 -1.498 -4.502 1.00 10.00 C ATOM 476 C TYR A 30 1.848 -2.548 -3.691 1.00 10.00 C ATOM 477 O TYR A 30 1.463 -2.798 -2.553 1.00 10.00 O ATOM 478 CB TYR A 30 1.132 -0.141 -3.796 1.00 10.00 C ATOM 479 CG TYR A 30 0.552 0.965 -4.646 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.321 1.515 -5.684 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.805 1.311 -4.528 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.754 2.450 -6.566 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.368 2.239 -5.418 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.589 2.820 -6.427 1.00 10.00 C ATOM 485 OH TYR A 30 -1.145 3.705 -7.301 1.00 10.00 O ATOM 0 H TYR A 30 -0.798 -1.982 -3.780 1.00 10.00 H new ATOM 0 HA TYR A 30 1.576 -1.415 -5.476 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.577 -0.205 -2.860 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.163 0.104 -3.539 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.352 1.218 -5.805 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.413 0.864 -3.755 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.355 2.884 -7.352 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.410 2.507 -5.324 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.705 3.624 -8.173 1.00 10.00 H new ATOM 495 N ASP A 31 2.912 -3.135 -4.251 1.00 10.00 N ATOM 496 CA ASP A 31 3.803 -4.038 -3.524 1.00 10.00 C ATOM 497 C ASP A 31 4.960 -3.213 -2.983 1.00 10.00 C ATOM 498 O ASP A 31 5.802 -2.777 -3.764 1.00 10.00 O ATOM 499 CB ASP A 31 4.339 -5.139 -4.447 1.00 10.00 C ATOM 500 CG ASP A 31 5.411 -5.992 -3.774 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.067 -6.653 -2.770 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.548 -6.003 -4.287 1.00 10.00 O ATOM 0 H ASP A 31 3.178 -2.994 -5.226 1.00 10.00 H new ATOM 0 HA ASP A 31 3.257 -4.520 -2.713 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.514 -5.779 -4.762 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.752 -4.685 -5.348 1.00 10.00 H new ATOM 507 N LEU A 32 4.978 -2.945 -1.674 1.00 10.00 N ATOM 508 CA LEU A 32 6.047 -2.181 -1.062 1.00 10.00 C ATOM 509 C LEU A 32 7.001 -3.122 -0.326 1.00 10.00 C ATOM 510 O LEU A 32 8.017 -3.498 -0.900 1.00 10.00 O ATOM 511 CB LEU A 32 5.490 -1.032 -0.218 1.00 10.00 C ATOM 512 CG LEU A 32 4.573 -0.118 -1.057 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.133 -0.188 -0.538 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.110 1.314 -1.047 1.00 10.00 C ATOM 0 H LEU A 32 4.256 -3.252 -1.022 1.00 10.00 H new ATOM 0 HA LEU A 32 6.646 -1.689 -1.828 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.932 -1.435 0.627 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.313 -0.447 0.194 1.00 10.00 H new ATOM 0 HG LEU A 32 4.566 -0.465 -2.090 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.497 0.462 -1.140 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.771 -1.214 -0.606 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.105 0.138 0.502 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.456 1.952 -1.642 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.143 1.683 -0.022 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.114 1.329 -1.470 1.00 10.00 H new ATOM 526 N THR A 33 6.693 -3.503 0.923 1.00 10.00 N ATOM 527 CA THR A 33 7.427 -4.439 1.775 1.00 10.00 C ATOM 528 C THR A 33 8.856 -3.992 2.084 1.00 10.00 C ATOM 529 O THR A 33 9.195 -3.632 3.208 1.00 10.00 O ATOM 530 CB THR A 33 7.327 -5.860 1.207 1.00 10.00 C ATOM 531 OG1 THR A 33 6.034 -6.317 1.516 1.00 10.00 O ATOM 532 CG2 THR A 33 8.321 -6.830 1.846 1.00 10.00 C ATOM 0 H THR A 33 5.865 -3.137 1.393 1.00 10.00 H new ATOM 0 HA THR A 33 6.947 -4.446 2.754 1.00 10.00 H new ATOM 0 HB THR A 33 7.543 -5.825 0.139 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.023 -6.675 2.428 1.00 10.00 H new ATOM 0 HG21 THR A 33 8.201 -7.818 1.402 1.00 10.00 H new ATOM 0 HG22 THR A 33 9.337 -6.476 1.674 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.134 -6.889 2.918 1.00 10.00 H new ATOM 540 N LYS A 34 9.707 -3.973 1.072 1.00 10.00 N ATOM 541 CA LYS A 34 11.089 -3.553 1.182 1.00 10.00 C ATOM 542 C LYS A 34 11.172 -2.061 1.539 1.00 10.00 C ATOM 543 O LYS A 34 12.222 -1.598 1.967 1.00 10.00 O ATOM 544 CB LYS A 34 11.788 -3.916 -0.139 1.00 10.00 C ATOM 545 CG LYS A 34 13.261 -4.303 0.042 1.00 10.00 C ATOM 546 CD LYS A 34 13.724 -5.084 -1.197 1.00 10.00 C ATOM 547 CE LYS A 34 15.169 -5.578 -1.045 1.00 10.00 C ATOM 548 NZ LYS A 34 15.580 -6.431 -2.180 1.00 10.00 N ATOM 0 H LYS A 34 9.446 -4.257 0.128 1.00 10.00 H new ATOM 0 HA LYS A 34 11.604 -4.067 1.994 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.257 -4.744 -0.608 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.723 -3.069 -0.821 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.872 -3.410 0.175 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.384 -4.910 0.939 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.063 -5.935 -1.359 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.647 -4.448 -2.079 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.840 -4.722 -0.972 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.265 -6.139 -0.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.562 -6.745 -2.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 14.956 -7.261 -2.234 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.512 -5.888 -3.065 1.00 10.00 H new ATOM 562 N PHE A 35 10.052 -1.337 1.397 1.00 10.00 N ATOM 563 CA PHE A 35 9.935 0.088 1.658 1.00 10.00 C ATOM 564 C PHE A 35 9.372 0.344 3.060 1.00 10.00 C ATOM 565 O PHE A 35 9.240 1.496 3.446 1.00 10.00 O ATOM 566 CB PHE A 35 8.982 0.694 0.617 1.00 10.00 C ATOM 567 CG PHE A 35 9.133 2.188 0.383 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.354 2.701 -0.093 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.067 3.070 0.646 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.529 4.085 -0.254 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.234 4.455 0.465 1.00 10.00 C ATOM 572 CZ PHE A 35 9.471 4.964 0.030 1.00 10.00 C ATOM 0 H PHE A 35 9.174 -1.753 1.085 1.00 10.00 H new ATOM 0 HA PHE A 35 10.923 0.544 1.595 1.00 10.00 H new ATOM 0 HB2 PHE A 35 9.133 0.178 -0.331 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.957 0.495 0.929 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.161 2.026 -0.336 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.119 2.682 0.988 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.477 4.473 -0.596 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.412 5.128 0.660 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.607 6.029 -0.085 1.00 10.00 H new ATOM 582 N LEU A 36 8.967 -0.686 3.814 1.00 10.00 N ATOM 583 CA LEU A 36 8.290 -0.496 5.095 1.00 10.00 C ATOM 584 C LEU A 36 9.064 0.436 6.024 1.00 10.00 C ATOM 585 O LEU A 36 8.519 1.417 6.524 1.00 10.00 O ATOM 586 CB LEU A 36 8.102 -1.859 5.765 1.00 10.00 C ATOM 587 CG LEU A 36 7.028 -2.705 5.079 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.151 -4.135 5.617 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.629 -2.166 5.370 1.00 10.00 C ATOM 0 H LEU A 36 9.099 -1.663 3.553 1.00 10.00 H new ATOM 0 HA LEU A 36 7.324 -0.029 4.902 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.048 -2.400 5.753 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.832 -1.712 6.811 1.00 10.00 H new ATOM 0 HG LEU A 36 7.174 -2.676 3.999 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.397 -4.767 5.147 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.143 -4.525 5.391 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.000 -4.132 6.696 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.888 -2.788 4.869 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.449 -2.182 6.445 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.550 -1.142 5.004 1.00 10.00 H new ATOM 601 N GLU A 37 10.333 0.110 6.258 1.00 10.00 N ATOM 602 CA GLU A 37 11.199 0.891 7.129 1.00 10.00 C ATOM 603 C GLU A 37 11.541 2.242 6.481 1.00 10.00 C ATOM 604 O GLU A 37 11.649 3.259 7.161 1.00 10.00 O ATOM 605 CB GLU A 37 12.439 0.048 7.462 1.00 10.00 C ATOM 606 CG GLU A 37 13.012 0.365 8.849 1.00 10.00 C ATOM 607 CD GLU A 37 14.106 -0.622 9.242 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.809 -1.092 8.321 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.204 -0.906 10.455 1.00 10.00 O ATOM 0 H GLU A 37 10.788 -0.705 5.847 1.00 10.00 H new ATOM 0 HA GLU A 37 10.693 1.131 8.064 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.179 -1.009 7.413 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.206 0.223 6.707 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.415 1.378 8.854 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.212 0.337 9.589 1.00 10.00 H new ATOM 616 N GLU A 38 11.695 2.246 5.153 1.00 10.00 N ATOM 617 CA GLU A 38 12.035 3.416 4.357 1.00 10.00 C ATOM 618 C GLU A 38 10.933 4.481 4.411 1.00 10.00 C ATOM 619 O GLU A 38 11.213 5.676 4.474 1.00 10.00 O ATOM 620 CB GLU A 38 12.294 2.960 2.916 1.00 10.00 C ATOM 621 CG GLU A 38 13.435 1.935 2.838 1.00 10.00 C ATOM 622 CD GLU A 38 14.020 1.855 1.433 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.305 1.347 0.544 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.166 2.325 1.267 1.00 10.00 O ATOM 0 H GLU A 38 11.581 1.403 4.590 1.00 10.00 H new ATOM 0 HA GLU A 38 12.932 3.882 4.766 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.384 2.523 2.504 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.540 3.825 2.300 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.219 2.208 3.545 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.065 0.954 3.135 1.00 10.00 H new ATOM 631 N HIS A 39 9.677 4.038 4.350 1.00 10.00 N ATOM 632 CA HIS A 39 8.486 4.870 4.303 1.00 10.00 C ATOM 633 C HIS A 39 8.474 5.868 5.467 1.00 10.00 C ATOM 634 O HIS A 39 8.320 5.450 6.617 1.00 10.00 O ATOM 635 CB HIS A 39 7.253 3.960 4.360 1.00 10.00 C ATOM 636 CG HIS A 39 5.942 4.693 4.481 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.061 4.590 5.533 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.381 5.521 3.544 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.992 5.340 5.227 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.135 5.933 4.027 1.00 10.00 N ATOM 0 H HIS A 39 9.458 3.042 4.331 1.00 10.00 H new ATOM 0 HA HIS A 39 8.478 5.445 3.377 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.229 3.344 3.461 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.356 3.282 5.208 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.196 4.046 6.385 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.823 5.805 2.600 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.126 5.454 5.863 1.00 10.00 H new ATOM 648 N PRO A 40 8.577 7.184 5.208 1.00 10.00 N ATOM 649 CA PRO A 40 8.596 8.190 6.256 1.00 10.00 C ATOM 650 C PRO A 40 7.167 8.431 6.758 1.00 10.00 C ATOM 651 O PRO A 40 6.597 9.505 6.572 1.00 10.00 O ATOM 652 CB PRO A 40 9.229 9.421 5.601 1.00 10.00 C ATOM 653 CG PRO A 40 8.748 9.315 4.155 1.00 10.00 C ATOM 654 CD PRO A 40 8.731 7.807 3.901 1.00 10.00 C ATOM 0 HA PRO A 40 9.167 7.902 7.139 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.897 10.346 6.072 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.317 9.402 5.669 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.760 9.756 4.026 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.419 9.831 3.469 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.911 7.532 3.238 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.653 7.482 3.419 1.00 10.00 H new ATOM 662 N GLY A 41 6.579 7.414 7.391 1.00 10.00 N ATOM 663 CA GLY A 41 5.216 7.479 7.881 1.00 10.00 C ATOM 664 C GLY A 41 4.799 6.199 8.592 1.00 10.00 C ATOM 665 O GLY A 41 3.677 5.735 8.411 1.00 10.00 O ATOM 0 H GLY A 41 7.042 6.524 7.575 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.118 8.321 8.566 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.540 7.666 7.046 1.00 10.00 H new ATOM 669 N GLY A 42 5.700 5.639 9.405 1.00 10.00 N ATOM 670 CA GLY A 42 5.409 4.495 10.255 1.00 10.00 C ATOM 671 C GLY A 42 5.321 3.188 9.465 1.00 10.00 C ATOM 672 O GLY A 42 4.346 2.954 8.747 1.00 10.00 O ATOM 0 H GLY A 42 6.659 5.975 9.488 1.00 10.00 H new ATOM 0 HA2 GLY A 42 6.184 4.405 11.016 1.00 10.00 H new ATOM 0 HA3 GLY A 42 4.468 4.664 10.778 1.00 10.00 H new ATOM 676 N GLU A 43 6.306 2.298 9.647 1.00 10.00 N ATOM 677 CA GLU A 43 6.216 0.948 9.103 1.00 10.00 C ATOM 678 C GLU A 43 4.918 0.313 9.602 1.00 10.00 C ATOM 679 O GLU A 43 4.096 -0.128 8.807 1.00 10.00 O ATOM 680 CB GLU A 43 7.494 0.132 9.394 1.00 10.00 C ATOM 681 CG GLU A 43 7.595 -0.652 10.719 1.00 10.00 C ATOM 682 CD GLU A 43 6.923 -2.029 10.676 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.162 -2.302 9.717 1.00 10.00 O ATOM 684 OE2 GLU A 43 7.196 -2.853 11.577 1.00 10.00 O ATOM 0 H GLU A 43 7.164 2.492 10.163 1.00 10.00 H new ATOM 0 HA GLU A 43 6.166 0.970 8.014 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.622 -0.581 8.579 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.339 0.819 9.353 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.647 -0.779 10.976 1.00 10.00 H new ATOM 0 HG3 GLU A 43 7.142 -0.062 11.515 1.00 10.00 H new ATOM 691 N ALA A 44 4.693 0.389 10.918 1.00 10.00 N ATOM 692 CA ALA A 44 3.515 -0.123 11.598 1.00 10.00 C ATOM 693 C ALA A 44 2.223 0.337 10.923 1.00 10.00 C ATOM 694 O ALA A 44 1.337 -0.472 10.674 1.00 10.00 O ATOM 695 CB ALA A 44 3.544 0.313 13.066 1.00 10.00 C ATOM 0 H ALA A 44 5.357 0.827 11.557 1.00 10.00 H new ATOM 0 HA ALA A 44 3.533 -1.211 11.541 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.661 -0.070 13.577 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.440 -0.081 13.545 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.552 1.402 13.122 1.00 10.00 H new ATOM 701 N VAL A 45 2.108 1.632 10.617 1.00 10.00 N ATOM 702 CA VAL A 45 0.934 2.176 9.946 1.00 10.00 C ATOM 703 C VAL A 45 0.743 1.483 8.594 1.00 10.00 C ATOM 704 O VAL A 45 -0.339 0.966 8.304 1.00 10.00 O ATOM 705 CB VAL A 45 1.070 3.705 9.830 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.089 4.291 8.812 1.00 10.00 C ATOM 707 CG2 VAL A 45 0.836 4.357 11.198 1.00 10.00 C ATOM 0 H VAL A 45 2.825 2.326 10.828 1.00 10.00 H new ATOM 0 HA VAL A 45 0.034 1.980 10.529 1.00 10.00 H new ATOM 0 HB VAL A 45 2.081 3.917 9.483 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.219 5.372 8.762 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.280 3.857 7.831 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.932 4.062 9.117 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.934 5.439 11.107 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.166 4.112 11.551 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.573 3.984 11.909 1.00 10.00 H new ATOM 717 N LEU A 46 1.800 1.439 7.779 1.00 10.00 N ATOM 718 CA LEU A 46 1.760 0.727 6.505 1.00 10.00 C ATOM 719 C LEU A 46 1.341 -0.735 6.717 1.00 10.00 C ATOM 720 O LEU A 46 0.507 -1.266 5.990 1.00 10.00 O ATOM 721 CB LEU A 46 3.129 0.806 5.800 1.00 10.00 C ATOM 722 CG LEU A 46 3.107 1.596 4.482 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.520 1.641 3.889 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.187 0.950 3.442 1.00 10.00 C ATOM 0 H LEU A 46 2.693 1.889 7.981 1.00 10.00 H new ATOM 0 HA LEU A 46 1.018 1.204 5.865 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.849 1.267 6.476 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.482 -0.206 5.600 1.00 10.00 H new ATOM 0 HG LEU A 46 2.737 2.595 4.712 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.505 2.201 2.954 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.195 2.128 4.593 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.867 0.626 3.698 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.202 1.541 2.526 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.534 -0.061 3.227 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.170 0.909 3.831 1.00 10.00 H new ATOM 736 N ARG A 47 1.929 -1.381 7.724 1.00 10.00 N ATOM 737 CA ARG A 47 1.783 -2.793 8.038 1.00 10.00 C ATOM 738 C ARG A 47 0.347 -3.088 8.466 1.00 10.00 C ATOM 739 O ARG A 47 -0.195 -4.145 8.170 1.00 10.00 O ATOM 740 CB ARG A 47 2.756 -3.135 9.174 1.00 10.00 C ATOM 741 CG ARG A 47 3.117 -4.620 9.251 1.00 10.00 C ATOM 742 CD ARG A 47 4.178 -4.996 8.201 1.00 10.00 C ATOM 743 NE ARG A 47 5.014 -6.114 8.663 1.00 10.00 N ATOM 744 CZ ARG A 47 5.884 -6.036 9.683 1.00 10.00 C ATOM 745 NH1 ARG A 47 6.170 -4.851 10.228 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.438 -7.159 10.146 1.00 10.00 N ATOM 0 H ARG A 47 2.552 -0.903 8.375 1.00 10.00 H new ATOM 0 HA ARG A 47 2.007 -3.399 7.160 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.670 -2.555 9.045 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.315 -2.828 10.122 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.491 -4.854 10.248 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.221 -5.222 9.097 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.687 -5.268 7.266 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.807 -4.131 7.991 1.00 10.00 H new ATOM 0 HE ARG A 47 4.927 -7.007 8.177 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.728 -4.005 9.870 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.831 -4.792 11.003 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.198 -8.057 9.726 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.101 -7.119 10.920 1.00 10.00 H new ATOM 760 N ALA A 48 -0.252 -2.147 9.192 1.00 10.00 N ATOM 761 CA ALA A 48 -1.609 -2.229 9.691 1.00 10.00 C ATOM 762 C ALA A 48 -2.605 -2.044 8.549 1.00 10.00 C ATOM 763 O ALA A 48 -3.570 -2.793 8.441 1.00 10.00 O ATOM 764 CB ALA A 48 -1.781 -1.156 10.766 1.00 10.00 C ATOM 0 H ALA A 48 0.216 -1.280 9.454 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.801 -3.210 10.125 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.797 -1.195 11.160 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.071 -1.333 11.574 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.598 -0.173 10.332 1.00 10.00 H new ATOM 770 N GLN A 49 -2.381 -1.034 7.702 1.00 10.00 N ATOM 771 CA GLN A 49 -3.223 -0.763 6.549 1.00 10.00 C ATOM 772 C GLN A 49 -2.980 -1.749 5.400 1.00 10.00 C ATOM 773 O GLN A 49 -3.773 -1.816 4.461 1.00 10.00 O ATOM 774 CB GLN A 49 -2.987 0.691 6.135 1.00 10.00 C ATOM 775 CG GLN A 49 -3.669 1.669 7.100 1.00 10.00 C ATOM 776 CD GLN A 49 -5.190 1.555 7.039 1.00 10.00 C ATOM 777 OE1 GLN A 49 -5.810 2.043 6.101 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.807 0.894 8.015 1.00 10.00 N ATOM 0 H GLN A 49 -1.604 -0.382 7.804 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.271 -0.905 6.815 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.916 0.893 6.107 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.368 0.849 5.126 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.330 1.472 8.117 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.371 2.689 6.856 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.266 0.498 8.784 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -6.821 0.783 7.994 1.00 10.00 H new ATOM 787 N ALA A 50 -1.893 -2.518 5.462 1.00 10.00 N ATOM 788 CA ALA A 50 -1.644 -3.634 4.567 1.00 10.00 C ATOM 789 C ALA A 50 -2.886 -4.524 4.424 1.00 10.00 C ATOM 790 O ALA A 50 -3.512 -4.886 5.417 1.00 10.00 O ATOM 791 CB ALA A 50 -0.465 -4.444 5.106 1.00 10.00 C ATOM 0 H ALA A 50 -1.152 -2.376 6.149 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.407 -3.248 3.576 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.268 -5.286 4.442 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.419 -3.809 5.159 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.704 -4.816 6.102 1.00 10.00 H new ATOM 797 N GLY A 51 -3.214 -4.911 3.190 1.00 10.00 N ATOM 798 CA GLY A 51 -4.206 -5.928 2.878 1.00 10.00 C ATOM 799 C GLY A 51 -5.305 -5.426 1.956 1.00 10.00 C ATOM 800 O GLY A 51 -5.887 -6.217 1.217 1.00 10.00 O ATOM 0 H GLY A 51 -2.780 -4.510 2.358 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.710 -6.780 2.412 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.653 -6.287 3.805 1.00 10.00 H new ATOM 804 N GLY A 52 -5.600 -4.126 1.972 1.00 10.00 N ATOM 805 CA GLY A 52 -6.689 -3.581 1.182 1.00 10.00 C ATOM 806 C GLY A 52 -7.311 -2.401 1.910 1.00 10.00 C ATOM 807 O GLY A 52 -6.825 -2.023 2.972 1.00 10.00 O ATOM 0 H GLY A 52 -5.095 -3.435 2.527 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.320 -3.265 0.206 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.442 -4.349 1.005 1.00 10.00 H new ATOM 811 N ASP A 53 -8.359 -1.834 1.301 1.00 10.00 N ATOM 812 CA ASP A 53 -9.103 -0.658 1.742 1.00 10.00 C ATOM 813 C ASP A 53 -8.279 0.300 2.611 1.00 10.00 C ATOM 814 O ASP A 53 -8.623 0.597 3.753 1.00 10.00 O ATOM 815 CB ASP A 53 -10.423 -1.069 2.407 1.00 10.00 C ATOM 816 CG ASP A 53 -11.318 0.141 2.664 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.102 1.172 1.985 1.00 10.00 O ATOM 818 OD2 ASP A 53 -12.223 0.001 3.514 1.00 10.00 O ATOM 0 H ASP A 53 -8.731 -2.213 0.430 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.342 -0.083 0.847 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.947 -1.782 1.770 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.215 -1.576 3.349 1.00 10.00 H new ATOM 823 N ALA A 54 -7.173 0.787 2.042 1.00 10.00 N ATOM 824 CA ALA A 54 -6.348 1.815 2.660 1.00 10.00 C ATOM 825 C ALA A 54 -6.398 3.094 1.837 1.00 10.00 C ATOM 826 O ALA A 54 -5.639 4.023 2.102 1.00 10.00 O ATOM 827 CB ALA A 54 -4.910 1.321 2.793 1.00 10.00 C ATOM 0 H ALA A 54 -6.827 0.474 1.135 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.736 2.030 3.656 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.300 2.097 3.256 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.889 0.425 3.413 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.512 1.089 1.805 1.00 10.00 H new ATOM 833 N THR A 55 -7.276 3.153 0.832 1.00 10.00 N ATOM 834 CA THR A 55 -7.392 4.314 -0.028 1.00 10.00 C ATOM 835 C THR A 55 -7.731 5.533 0.825 1.00 10.00 C ATOM 836 O THR A 55 -7.031 6.541 0.767 1.00 10.00 O ATOM 837 CB THR A 55 -8.435 4.042 -1.120 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.039 2.931 -1.907 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.552 5.252 -2.048 1.00 10.00 C ATOM 0 H THR A 55 -7.920 2.397 0.600 1.00 10.00 H new ATOM 0 HA THR A 55 -6.449 4.520 -0.534 1.00 10.00 H new ATOM 0 HB THR A 55 -9.390 3.842 -0.633 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.474 2.335 -1.371 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.295 5.048 -2.819 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.858 6.125 -1.471 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.587 5.446 -2.516 1.00 10.00 H new ATOM 847 N ALA A 56 -8.778 5.414 1.646 1.00 10.00 N ATOM 848 CA ALA A 56 -9.212 6.485 2.524 1.00 10.00 C ATOM 849 C ALA A 56 -8.088 6.897 3.472 1.00 10.00 C ATOM 850 O ALA A 56 -7.787 8.075 3.600 1.00 10.00 O ATOM 851 CB ALA A 56 -10.461 6.049 3.295 1.00 10.00 C ATOM 0 H ALA A 56 -9.344 4.568 1.715 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.466 7.357 1.922 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.783 6.856 3.953 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.259 5.814 2.591 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.231 5.166 3.891 1.00 10.00 H new ATOM 857 N ASN A 57 -7.446 5.941 4.146 1.00 10.00 N ATOM 858 CA ASN A 57 -6.409 6.290 5.108 1.00 10.00 C ATOM 859 C ASN A 57 -5.234 6.979 4.406 1.00 10.00 C ATOM 860 O ASN A 57 -4.741 7.999 4.889 1.00 10.00 O ATOM 861 CB ASN A 57 -5.956 5.058 5.895 1.00 10.00 C ATOM 862 CG ASN A 57 -5.248 5.399 7.209 1.00 10.00 C ATOM 863 OD1 ASN A 57 -5.140 4.549 8.086 1.00 10.00 O ATOM 864 ND2 ASN A 57 -4.749 6.622 7.391 1.00 10.00 N ATOM 0 H ASN A 57 -7.623 4.942 4.045 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.826 6.997 5.826 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.824 4.435 6.110 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.285 4.466 5.273 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.274 6.855 8.263 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.842 7.325 6.658 1.00 10.00 H new ATOM 871 N PHE A 58 -4.782 6.418 3.281 1.00 10.00 N ATOM 872 CA PHE A 58 -3.752 7.019 2.443 1.00 10.00 C ATOM 873 C PHE A 58 -4.103 8.458 2.059 1.00 10.00 C ATOM 874 O PHE A 58 -3.295 9.366 2.268 1.00 10.00 O ATOM 875 CB PHE A 58 -3.556 6.165 1.188 1.00 10.00 C ATOM 876 CG PHE A 58 -2.613 6.762 0.159 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.228 6.554 0.274 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.127 7.439 -0.964 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.359 7.011 -0.732 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.258 7.904 -1.965 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.873 7.689 -1.851 1.00 10.00 C ATOM 0 H PHE A 58 -5.127 5.526 2.927 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.823 7.053 3.013 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.177 5.187 1.485 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.527 6.002 0.720 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.830 6.042 1.138 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.191 7.601 -1.056 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.704 6.841 -0.645 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.654 8.427 -2.823 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.205 8.044 -2.622 1.00 10.00 H new ATOM 891 N GLU A 59 -5.277 8.671 1.455 1.00 10.00 N ATOM 892 CA GLU A 59 -5.634 9.986 0.952 1.00 10.00 C ATOM 893 C GLU A 59 -5.863 10.965 2.107 1.00 10.00 C ATOM 894 O GLU A 59 -5.402 12.100 2.039 1.00 10.00 O ATOM 895 CB GLU A 59 -6.745 9.899 -0.102 1.00 10.00 C ATOM 896 CG GLU A 59 -8.139 9.563 0.435 1.00 10.00 C ATOM 897 CD GLU A 59 -8.910 10.793 0.893 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.995 11.736 0.076 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.405 10.761 2.038 1.00 10.00 O ATOM 0 H GLU A 59 -5.985 7.952 1.307 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.797 10.416 0.401 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.798 10.852 -0.628 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.466 9.144 -0.837 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.708 9.052 -0.341 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.044 8.869 1.270 1.00 10.00 H new ATOM 906 N ALA A 60 -6.465 10.496 3.204 1.00 10.00 N ATOM 907 CA ALA A 60 -6.627 11.251 4.440 1.00 10.00 C ATOM 908 C ALA A 60 -5.289 11.802 4.940 1.00 10.00 C ATOM 909 O ALA A 60 -5.212 12.962 5.336 1.00 10.00 O ATOM 910 CB ALA A 60 -7.295 10.378 5.507 1.00 10.00 C ATOM 0 H ALA A 60 -6.861 9.557 3.253 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.272 12.106 4.235 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.411 10.952 6.426 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.275 10.057 5.153 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.675 9.503 5.702 1.00 10.00 H new ATOM 916 N VAL A 61 -4.227 10.985 4.923 1.00 10.00 N ATOM 917 CA VAL A 61 -2.884 11.465 5.250 1.00 10.00 C ATOM 918 C VAL A 61 -2.448 12.591 4.300 1.00 10.00 C ATOM 919 O VAL A 61 -1.721 13.494 4.707 1.00 10.00 O ATOM 920 CB VAL A 61 -1.882 10.295 5.248 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.426 10.779 5.241 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.099 9.406 6.478 1.00 10.00 C ATOM 0 H VAL A 61 -4.275 9.994 4.687 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.904 11.888 6.255 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.061 9.729 4.334 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.243 9.919 5.240 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.247 11.380 4.349 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.239 11.383 6.129 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.384 8.583 6.463 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.955 9.996 7.383 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.113 9.006 6.463 1.00 10.00 H new ATOM 932 N GLY A 62 -2.856 12.526 3.031 1.00 10.00 N ATOM 933 CA GLY A 62 -2.551 13.527 2.022 1.00 10.00 C ATOM 934 C GLY A 62 -1.737 12.884 0.909 1.00 10.00 C ATOM 935 O GLY A 62 -2.295 12.555 -0.136 1.00 10.00 O ATOM 0 H GLY A 62 -3.421 11.755 2.674 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.473 13.947 1.619 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -1.993 14.351 2.467 1.00 10.00 H new ATOM 939 N HIS A 63 -0.433 12.702 1.152 1.00 10.00 N ATOM 940 CA HIS A 63 0.551 12.142 0.227 1.00 10.00 C ATOM 941 C HIS A 63 0.804 13.057 -0.980 1.00 10.00 C ATOM 942 O HIS A 63 0.073 13.022 -1.967 1.00 10.00 O ATOM 943 CB HIS A 63 0.193 10.702 -0.175 1.00 10.00 C ATOM 944 CG HIS A 63 0.425 9.722 0.944 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.491 9.285 1.875 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.616 9.107 1.213 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.151 8.420 2.684 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.438 8.270 2.314 1.00 10.00 N ATOM 0 H HIS A 63 -0.017 12.956 2.048 1.00 10.00 H new ATOM 0 HA HIS A 63 1.501 12.088 0.759 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.853 10.661 -0.479 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.788 10.410 -1.040 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.470 9.564 1.940 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.537 9.246 0.666 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.306 7.913 3.521 1.00 10.00 H new ATOM 956 N SER A 64 1.859 13.872 -0.906 1.00 10.00 N ATOM 957 CA SER A 64 2.241 14.830 -1.935 1.00 10.00 C ATOM 958 C SER A 64 2.497 14.194 -3.311 1.00 10.00 C ATOM 959 O SER A 64 2.498 12.976 -3.475 1.00 10.00 O ATOM 960 CB SER A 64 3.469 15.588 -1.421 1.00 10.00 C ATOM 961 OG SER A 64 3.174 16.076 -0.127 1.00 10.00 O ATOM 0 H SER A 64 2.487 13.880 -0.102 1.00 10.00 H new ATOM 0 HA SER A 64 1.407 15.511 -2.108 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.337 14.930 -1.391 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.716 16.411 -2.091 1.00 10.00 H new ATOM 0 HG SER A 64 3.604 15.506 0.544 1.00 10.00 H new ATOM 967 N THR A 65 2.730 15.040 -4.317 1.00 10.00 N ATOM 968 CA THR A 65 2.973 14.658 -5.700 1.00 10.00 C ATOM 969 C THR A 65 4.098 13.633 -5.792 1.00 10.00 C ATOM 970 O THR A 65 3.916 12.572 -6.383 1.00 10.00 O ATOM 971 CB THR A 65 3.335 15.933 -6.473 1.00 10.00 C ATOM 972 OG1 THR A 65 4.197 16.712 -5.660 1.00 10.00 O ATOM 973 CG2 THR A 65 2.085 16.762 -6.780 1.00 10.00 C ATOM 0 H THR A 65 2.754 16.050 -4.179 1.00 10.00 H new ATOM 0 HA THR A 65 2.084 14.194 -6.126 1.00 10.00 H new ATOM 0 HB THR A 65 3.812 15.654 -7.413 1.00 10.00 H new ATOM 0 HG1 THR A 65 3.690 17.446 -5.255 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.370 17.660 -7.328 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.396 16.171 -7.384 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.598 17.046 -5.847 1.00 10.00 H new ATOM 981 N ASP A 66 5.239 13.948 -5.175 1.00 10.00 N ATOM 982 CA ASP A 66 6.358 13.030 -5.005 1.00 10.00 C ATOM 983 C ASP A 66 5.858 11.640 -4.648 1.00 10.00 C ATOM 984 O ASP A 66 6.075 10.687 -5.381 1.00 10.00 O ATOM 985 CB ASP A 66 7.245 13.537 -3.867 1.00 10.00 C ATOM 986 CG ASP A 66 8.407 12.581 -3.634 1.00 10.00 C ATOM 987 OD1 ASP A 66 8.213 11.653 -2.819 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.448 12.788 -4.291 1.00 10.00 O ATOM 0 H ASP A 66 5.410 14.869 -4.772 1.00 10.00 H new ATOM 0 HA ASP A 66 6.918 12.979 -5.939 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.625 14.530 -4.108 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.657 13.634 -2.954 1.00 10.00 H new ATOM 993 N ALA A 67 5.130 11.551 -3.541 1.00 10.00 N ATOM 994 CA ALA A 67 4.596 10.291 -3.042 1.00 10.00 C ATOM 995 C ALA A 67 3.666 9.637 -4.072 1.00 10.00 C ATOM 996 O ALA A 67 3.758 8.434 -4.329 1.00 10.00 O ATOM 997 CB ALA A 67 3.887 10.507 -1.705 1.00 10.00 C ATOM 0 H ALA A 67 4.893 12.356 -2.962 1.00 10.00 H new ATOM 0 HA ALA A 67 5.427 9.606 -2.877 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.493 9.557 -1.344 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.595 10.906 -0.978 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.067 11.213 -1.838 1.00 10.00 H new ATOM 1003 N ARG A 68 2.773 10.434 -4.669 1.00 10.00 N ATOM 1004 CA ARG A 68 1.850 10.001 -5.712 1.00 10.00 C ATOM 1005 C ARG A 68 2.588 9.489 -6.953 1.00 10.00 C ATOM 1006 O ARG A 68 2.031 8.687 -7.698 1.00 10.00 O ATOM 1007 CB ARG A 68 0.896 11.144 -6.080 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.196 11.322 -5.020 1.00 10.00 C ATOM 1009 CD ARG A 68 -1.039 12.573 -5.287 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.477 12.361 -5.019 1.00 10.00 N ATOM 1011 CZ ARG A 68 -3.039 12.188 -3.810 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.276 12.204 -2.723 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.358 11.999 -3.692 1.00 10.00 N ATOM 0 H ARG A 68 2.673 11.421 -4.431 1.00 10.00 H new ATOM 0 HA ARG A 68 1.270 9.167 -5.317 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.459 12.071 -6.184 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.437 10.940 -7.047 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.841 10.443 -5.009 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.262 11.394 -4.033 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.675 13.391 -4.665 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.909 12.879 -6.325 1.00 10.00 H new ATOM 0 HE ARG A 68 -3.101 12.344 -5.826 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.270 12.347 -2.808 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.696 12.073 -1.803 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.948 11.985 -4.524 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.774 11.869 -2.770 1.00 10.00 H new ATOM 1027 N GLU A 69 3.827 9.926 -7.177 1.00 10.00 N ATOM 1028 CA GLU A 69 4.676 9.400 -8.225 1.00 10.00 C ATOM 1029 C GLU A 69 5.399 8.143 -7.747 1.00 10.00 C ATOM 1030 O GLU A 69 5.284 7.088 -8.362 1.00 10.00 O ATOM 1031 CB GLU A 69 5.594 10.526 -8.695 1.00 10.00 C ATOM 1032 CG GLU A 69 4.888 11.283 -9.827 1.00 10.00 C ATOM 1033 CD GLU A 69 4.832 10.463 -11.115 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.905 10.168 -11.676 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.711 10.057 -11.501 1.00 10.00 O ATOM 0 H GLU A 69 4.266 10.663 -6.626 1.00 10.00 H new ATOM 0 HA GLU A 69 4.098 9.071 -9.089 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.820 11.201 -7.870 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.544 10.121 -9.044 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.875 11.539 -9.516 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.410 12.221 -10.017 1.00 10.00 H new ATOM 1042 N LEU A 70 6.101 8.244 -6.623 1.00 10.00 N ATOM 1043 CA LEU A 70 6.855 7.187 -5.976 1.00 10.00 C ATOM 1044 C LEU A 70 6.029 5.900 -5.917 1.00 10.00 C ATOM 1045 O LEU A 70 6.421 4.867 -6.450 1.00 10.00 O ATOM 1046 CB LEU A 70 7.317 7.720 -4.609 1.00 10.00 C ATOM 1047 CG LEU A 70 8.243 6.861 -3.740 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.933 5.774 -4.535 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.265 7.738 -3.010 1.00 10.00 C ATOM 0 H LEU A 70 6.159 9.124 -6.111 1.00 10.00 H new ATOM 0 HA LEU A 70 7.746 6.912 -6.541 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.820 8.671 -4.782 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.424 7.934 -4.022 1.00 10.00 H new ATOM 0 HG LEU A 70 7.618 6.362 -2.999 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.577 5.194 -3.875 1.00 10.00 H new ATOM 0 HD12 LEU A 70 8.185 5.118 -4.980 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.535 6.226 -5.324 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.913 7.110 -2.399 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.868 8.279 -3.740 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.743 8.450 -2.371 1.00 10.00 H new ATOM 1061 N SER A 71 4.851 5.979 -5.309 1.00 10.00 N ATOM 1062 CA SER A 71 3.831 4.934 -5.334 1.00 10.00 C ATOM 1063 C SER A 71 3.769 4.186 -6.672 1.00 10.00 C ATOM 1064 O SER A 71 3.801 2.959 -6.687 1.00 10.00 O ATOM 1065 CB SER A 71 2.480 5.537 -4.955 1.00 10.00 C ATOM 1066 OG SER A 71 2.194 6.657 -5.753 1.00 10.00 O ATOM 0 H SER A 71 4.569 6.797 -4.768 1.00 10.00 H new ATOM 0 HA SER A 71 4.106 4.179 -4.598 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.696 4.789 -5.075 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.487 5.826 -3.904 1.00 10.00 H new ATOM 0 HG SER A 71 2.646 7.445 -5.385 1.00 10.00 H new ATOM 1072 N LYS A 72 3.715 4.895 -7.802 1.00 10.00 N ATOM 1073 CA LYS A 72 3.586 4.284 -9.119 1.00 10.00 C ATOM 1074 C LYS A 72 4.765 3.344 -9.431 1.00 10.00 C ATOM 1075 O LYS A 72 4.592 2.362 -10.145 1.00 10.00 O ATOM 1076 CB LYS A 72 3.329 5.361 -10.190 1.00 10.00 C ATOM 1077 CG LYS A 72 1.997 6.075 -9.891 1.00 10.00 C ATOM 1078 CD LYS A 72 1.775 7.423 -10.594 1.00 10.00 C ATOM 1079 CE LYS A 72 1.899 7.404 -12.122 1.00 10.00 C ATOM 1080 NZ LYS A 72 3.282 7.682 -12.561 1.00 10.00 N ATOM 0 H LYS A 72 3.760 5.914 -7.825 1.00 10.00 H new ATOM 0 HA LYS A 72 2.709 3.636 -9.126 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.146 6.082 -10.199 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.295 4.905 -11.179 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.181 5.407 -10.167 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.928 6.235 -8.815 1.00 10.00 H new ATOM 0 HD2 LYS A 72 0.782 7.789 -10.333 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.493 8.141 -10.198 1.00 10.00 H new ATOM 0 HE2 LYS A 72 1.586 6.431 -12.501 1.00 10.00 H new ATOM 0 HE3 LYS A 72 1.225 8.145 -12.551 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 3.289 7.879 -13.582 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.650 8.508 -12.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 3.882 6.855 -12.364 1.00 10.00 H new ATOM 1094 N THR A 73 5.941 3.575 -8.846 1.00 10.00 N ATOM 1095 CA THR A 73 7.108 2.702 -8.955 1.00 10.00 C ATOM 1096 C THR A 73 6.901 1.358 -8.241 1.00 10.00 C ATOM 1097 O THR A 73 7.613 0.400 -8.528 1.00 10.00 O ATOM 1098 CB THR A 73 8.340 3.446 -8.408 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.393 4.740 -8.980 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.664 2.732 -8.692 1.00 10.00 C ATOM 0 H THR A 73 6.112 4.398 -8.268 1.00 10.00 H new ATOM 0 HA THR A 73 7.264 2.461 -10.006 1.00 10.00 H new ATOM 0 HB THR A 73 8.223 3.487 -7.325 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.175 5.219 -8.634 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.487 3.314 -8.278 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.650 1.744 -8.232 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.798 2.629 -9.769 1.00 10.00 H new ATOM 1108 N PHE A 74 5.928 1.278 -7.329 1.00 10.00 N ATOM 1109 CA PHE A 74 5.596 0.077 -6.574 1.00 10.00 C ATOM 1110 C PHE A 74 4.278 -0.514 -7.072 1.00 10.00 C ATOM 1111 O PHE A 74 3.782 -1.482 -6.492 1.00 10.00 O ATOM 1112 CB PHE A 74 5.493 0.421 -5.083 1.00 10.00 C ATOM 1113 CG PHE A 74 6.809 0.794 -4.432 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.778 -0.205 -4.217 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.047 2.107 -3.984 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.977 0.104 -3.555 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.231 2.406 -3.287 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.205 1.412 -3.097 1.00 10.00 C ATOM 0 H PHE A 74 5.335 2.073 -7.092 1.00 10.00 H new ATOM 0 HA PHE A 74 6.382 -0.664 -6.717 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.795 1.249 -4.962 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.070 -0.433 -4.554 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.598 -1.212 -4.563 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.321 2.884 -4.175 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.722 -0.662 -3.398 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.392 3.400 -2.898 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.131 1.654 -2.598 1.00 10.00 H new ATOM 1128 N ILE A 75 3.686 0.077 -8.117 1.00 10.00 N ATOM 1129 CA ILE A 75 2.454 -0.441 -8.685 1.00 10.00 C ATOM 1130 C ILE A 75 2.738 -1.840 -9.245 1.00 10.00 C ATOM 1131 O ILE A 75 3.722 -2.032 -9.957 1.00 10.00 O ATOM 1132 CB ILE A 75 1.911 0.555 -9.733 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.381 0.684 -9.729 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.436 0.287 -11.150 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.342 -0.606 -10.074 1.00 10.00 C ATOM 0 H ILE A 75 4.046 0.912 -8.579 1.00 10.00 H new ATOM 0 HA ILE A 75 1.670 -0.544 -7.935 1.00 10.00 H new ATOM 0 HB ILE A 75 2.308 1.519 -9.416 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.056 1.020 -8.744 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.089 1.456 -10.441 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.017 1.021 -11.838 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.523 0.364 -11.156 1.00 10.00 H new ATOM 0 HG23 ILE A 75 2.141 -0.714 -11.464 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.419 -0.437 -10.051 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.047 -0.933 -11.071 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.080 -1.375 -9.348 1.00 10.00 H new ATOM 1147 N ILE A 76 1.891 -2.817 -8.921 1.00 10.00 N ATOM 1148 CA ILE A 76 1.986 -4.174 -9.454 1.00 10.00 C ATOM 1149 C ILE A 76 0.788 -4.495 -10.345 1.00 10.00 C ATOM 1150 O ILE A 76 0.925 -5.194 -11.348 1.00 10.00 O ATOM 1151 CB ILE A 76 2.146 -5.187 -8.310 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.159 -4.894 -7.166 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.601 -5.133 -7.824 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.040 -6.032 -6.158 1.00 10.00 C ATOM 0 H ILE A 76 1.113 -2.686 -8.275 1.00 10.00 H new ATOM 0 HA ILE A 76 2.875 -4.245 -10.081 1.00 10.00 H new ATOM 0 HB ILE A 76 1.916 -6.191 -8.668 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.476 -3.990 -6.646 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.175 -4.690 -7.589 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.739 -5.845 -7.010 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.269 -5.388 -8.647 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.829 -4.128 -7.469 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.328 -5.756 -5.380 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.693 -6.932 -6.665 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.014 -6.222 -5.707 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.391 -3.980 -10.001 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.593 -4.222 -10.764 1.00 10.00 C ATOM 1168 C GLY A 77 -2.739 -3.462 -10.139 1.00 10.00 C ATOM 1169 O GLY A 77 -2.532 -2.555 -9.336 1.00 10.00 O ATOM 0 H GLY A 77 -0.530 -3.385 -9.184 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -1.452 -3.906 -11.798 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.816 -5.289 -10.785 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.947 -3.841 -10.526 1.00 10.00 N ATOM 1174 CA GLU A 78 -5.174 -3.218 -10.097 1.00 10.00 C ATOM 1175 C GLU A 78 -6.030 -4.232 -9.355 1.00 10.00 C ATOM 1176 O GLU A 78 -5.792 -5.440 -9.363 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.923 -2.656 -11.314 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.764 -1.143 -11.447 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.719 -0.539 -12.465 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.943 -0.782 -12.340 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.188 0.195 -13.327 1.00 10.00 O ATOM 0 H GLU A 78 -4.097 -4.618 -11.169 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.950 -2.394 -9.420 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.554 -3.138 -12.219 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.982 -2.902 -11.231 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.933 -0.677 -10.476 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.738 -0.914 -11.737 1.00 10.00 H new ATOM 1188 N LEU A 79 -7.059 -3.690 -8.727 1.00 10.00 N ATOM 1189 CA LEU A 79 -8.098 -4.451 -8.083 1.00 10.00 C ATOM 1190 C LEU A 79 -8.796 -5.336 -9.119 1.00 10.00 C ATOM 1191 O LEU A 79 -9.154 -4.864 -10.197 1.00 10.00 O ATOM 1192 CB LEU A 79 -9.066 -3.441 -7.478 1.00 10.00 C ATOM 1193 CG LEU A 79 -10.176 -4.146 -6.707 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.632 -4.813 -5.443 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.227 -3.103 -6.371 1.00 10.00 C ATOM 0 H LEU A 79 -7.192 -2.681 -8.653 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.703 -5.106 -7.306 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.526 -2.768 -6.812 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.499 -2.828 -8.268 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.613 -4.941 -7.311 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.446 -5.308 -4.914 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.876 -5.549 -5.717 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.185 -4.058 -4.797 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.040 -3.572 -5.817 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.779 -2.318 -5.762 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.617 -2.670 -7.292 1.00 10.00 H new ATOM 1207 N HIS A 80 -9.001 -6.608 -8.801 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.662 -7.556 -9.690 1.00 10.00 C ATOM 1209 C HIS A 80 -11.050 -7.065 -10.121 1.00 10.00 C ATOM 1210 O HIS A 80 -11.809 -6.571 -9.288 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.731 -8.930 -9.020 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.838 -10.079 -9.984 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.993 -10.704 -10.384 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.794 -10.693 -10.624 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.656 -11.658 -11.262 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.326 -11.687 -11.449 1.00 10.00 N ATOM 0 H HIS A 80 -8.711 -7.014 -7.912 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.071 -7.642 -10.602 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.842 -9.067 -8.405 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.589 -8.952 -8.349 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.747 -10.452 -10.511 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.359 -12.315 -11.753 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.808 -12.310 -12.069 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.425 -7.237 -11.400 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.743 -6.862 -11.899 1.00 10.00 C ATOM 1226 C PRO A 81 -13.899 -7.660 -11.274 1.00 10.00 C ATOM 1227 O PRO A 81 -15.052 -7.377 -11.578 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.676 -7.050 -13.416 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.586 -8.103 -13.599 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.606 -7.762 -12.485 1.00 10.00 C ATOM 0 HA PRO A 81 -12.967 -5.832 -11.621 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.630 -7.386 -13.821 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.424 -6.119 -13.925 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.979 -9.115 -13.498 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.121 -8.038 -14.583 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.050 -8.644 -12.167 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.874 -7.026 -12.817 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.600 -8.648 -10.424 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.587 -9.387 -9.641 1.00 10.00 C ATOM 1240 C ASP A 82 -14.959 -8.629 -8.359 1.00 10.00 C ATOM 1241 O ASP A 82 -16.069 -8.771 -7.855 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.020 -10.772 -9.304 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.046 -11.659 -8.616 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.985 -12.084 -9.321 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.829 -11.943 -7.419 1.00 10.00 O ATOM 0 H ASP A 82 -12.643 -8.960 -10.260 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.498 -9.497 -10.229 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.679 -11.256 -10.219 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.149 -10.659 -8.659 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.022 -7.835 -7.821 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.233 -7.088 -6.586 1.00 10.00 C ATOM 1252 C ASP A 83 -15.166 -5.902 -6.863 1.00 10.00 C ATOM 1253 O ASP A 83 -16.230 -5.776 -6.259 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.868 -6.647 -6.037 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.955 -5.822 -4.758 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.788 -4.898 -4.687 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.123 -6.103 -3.875 1.00 10.00 O ATOM 0 H ASP A 83 -13.100 -7.697 -8.234 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.714 -7.708 -5.829 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.261 -7.532 -5.847 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.352 -6.064 -6.800 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.720 -5.036 -7.777 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.340 -3.749 -8.060 1.00 10.00 C ATOM 1264 C ARG A 84 -16.724 -3.880 -8.702 1.00 10.00 C ATOM 1265 O ARG A 84 -16.928 -4.859 -9.453 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.404 -2.910 -8.941 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.225 -3.508 -10.344 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.275 -2.675 -11.216 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.860 -2.854 -10.844 1.00 10.00 N ATOM 1270 CZ ARG A 84 -10.850 -2.099 -11.324 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.077 -1.048 -12.117 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.587 -2.385 -11.037 1.00 10.00 N ATOM 0 H ARG A 84 -13.898 -5.220 -8.352 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.497 -3.245 -7.107 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.802 -1.899 -9.028 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.431 -2.829 -8.457 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.838 -4.523 -10.257 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.196 -3.578 -10.833 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.410 -2.953 -12.261 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.539 -1.621 -11.130 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.630 -3.595 -10.182 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.032 -0.800 -12.373 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.295 -0.494 -12.466 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.367 -3.186 -10.445 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -8.835 -1.804 -11.408 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.847 7.124 3.105 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.120 9.976 4.645 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.037 7.604 0.418 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.424 4.417 1.454 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.782 6.570 5.854 1.00 10.00 C HETATM 1292 NA HEM A 201 4.325 8.517 2.627 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.635 9.607 3.394 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.591 10.391 2.648 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.914 9.694 1.507 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.072 8.520 1.472 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.928 10.136 0.472 1.00 10.00 C HETATM 1298 CAA HEM A 201 5.977 11.822 2.931 1.00 10.00 C HETATM 1299 CBA HEM A 201 4.863 12.777 2.488 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.362 14.206 2.350 1.00 10.00 C HETATM 1301 O1A HEM A 201 6.108 14.639 3.253 1.00 10.00 O HETATM 1302 O2A HEM A 201 4.991 14.835 1.335 1.00 10.00 O HETATM 1303 NB HEM A 201 3.172 6.187 1.286 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.127 6.551 0.356 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.040 5.630 -0.753 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.988 4.795 -0.468 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.463 5.108 0.834 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.960 5.574 -1.951 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.458 3.700 -1.366 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.567 3.951 -2.342 1.00 10.00 C HETATM 1311 NC HEM A 201 1.369 5.744 3.566 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.946 4.733 2.728 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.126 4.036 3.400 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.270 4.637 4.621 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.663 5.725 4.742 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.972 2.902 2.883 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.299 4.231 5.647 1.00 10.00 C HETATM 1318 CBC HEM A 201 -2.169 5.150 6.117 1.00 10.00 C HETATM 1319 ND HEM A 201 2.521 8.095 4.939 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.658 7.658 5.902 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.817 8.524 7.044 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.707 9.516 6.694 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.169 9.228 5.351 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.166 8.340 8.394 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.197 10.600 7.630 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.127 11.600 8.050 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.394 12.125 9.454 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.900 13.262 9.554 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.103 11.362 10.401 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.002 11.223 0.477 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.611 9.798 -0.515 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.901 9.705 0.708 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.018 4.549 -2.317 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 5.955 5.913 -1.662 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 4.571 6.219 -2.739 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.285 2.273 3.716 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.392 2.308 2.177 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.852 3.304 2.381 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 1.811 8.755 9.169 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.012 7.277 8.582 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.205 8.854 8.408 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.205 3.138 -2.972 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.207 4.967 -2.503 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.915 4.865 6.858 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -2.125 6.177 5.755 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.049 12.745 3.212 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.455 12.441 1.535 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.902 12.065 2.408 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.170 11.949 3.996 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.146 11.125 8.015 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.104 12.431 7.345 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.012 11.139 7.147 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.610 10.132 8.523 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.478 10.892 5.091 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.749 7.717 -0.386 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.965 3.596 0.923 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.165 6.370 6.718 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.808 2.678 -1.218 1.00 10.00 H new HETATM 0 HAC HEM A 201 -1.340 3.203 6.006 1.00 10.00 H new