USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 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 Set 1.1: A 9 THR OG1 : rot -175:sc= 1.06 USER MOD Set 1.2: A 13 THR OG1 : rot 119:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.177 (180deg=-0.27) USER MOD Single : A 6 TYR OH : rot 28:sc= -0.59 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ 156:sc= 0.653 (180deg=-0.881!) USER MOD Single : A 10 ASN : amide:sc=-0.00229 K(o=-0.0023,f=-0.81) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.316 K(o=-0.32,f=-4.2!) USER MOD Single : A 24 ASN : amide:sc= -0.0873 X(o=-0.087,f=-0.069) USER MOD Single : A 28 SER OG : rot 180:sc= -0.561 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 38:sc= 0.653 USER MOD Single : A 32 SER OG : rot 88:sc= 1.24 USER MOD Single : A 33 GLN : amide:sc= -1.36! K(o=-1.4!,f=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0.684) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0.793 (180deg=0.704) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 152:sc= -0.122 (180deg=-0.843) USER MOD Single : A 49 CYS SG : rot -50:sc= -0.469 USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.451 (180deg=-2.75!) USER MOD Single : A 54 HIS : no HE2:sc= -0.108 K(o=-0.11,f=-2.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.26) USER MOD Single : A 59 THR OG1 : rot -16:sc= 0.435 USER MOD Single : A 61 MET CE :methyl 172:sc= -0.305 (180deg=-0.371) USER MOD Single : A 69 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.8!) USER MOD Single : A 70 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -140:sc= -0.955 (180deg=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.264 K(o=-0.26,f=-11!) USER MOD Single : A 82 GLN : amide:sc= -0.0381 K(o=-0.038,f=-2.2!) USER MOD Single : A 90 SER OG : rot -93:sc= 0.669 USER MOD Single : A 91 SER OG : rot 165:sc= 0.826 USER MOD Single : A 92 LYS NZ :NH3+ 174:sc=-0.00573 (180deg=-0.0679) USER MOD Single : A 94 SER OG : rot -57:sc= 0.0017 USER MOD Single : A 96 THR OG1 : rot 34:sc= 0.543 USER MOD Single : A 98 THR OG1 : rot 22:sc= 0.967 USER MOD Single : A 100 THR OG1 : rot 29:sc= 0.514 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -12.277 4.306 10.030 1.00 0.00 N ATOM 2 CA GLY A -7 -13.467 4.258 9.143 1.00 0.00 C ATOM 3 C GLY A -7 -13.728 5.591 8.477 1.00 0.00 C ATOM 4 O GLY A -7 -14.282 6.495 9.102 1.00 0.00 O ATOM 0 H1 GLY A -7 -12.353 3.562 10.753 1.00 0.00 H new ATOM 0 H2 GLY A -7 -11.417 4.154 9.466 1.00 0.00 H new ATOM 0 H3 GLY A -7 -12.227 5.236 10.493 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -13.321 3.493 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -14.341 3.965 9.724 1.00 0.00 H new ATOM 10 N PRO A -6 -13.348 5.750 7.203 1.00 0.00 N ATOM 11 CA PRO A -6 -13.489 7.011 6.500 1.00 0.00 C ATOM 12 C PRO A -6 -14.861 7.149 5.842 1.00 0.00 C ATOM 13 O PRO A -6 -15.119 6.578 4.782 1.00 0.00 O ATOM 14 CB PRO A -6 -12.373 6.958 5.446 1.00 0.00 C ATOM 15 CG PRO A -6 -11.886 5.535 5.406 1.00 0.00 C ATOM 16 CD PRO A -6 -12.758 4.726 6.335 1.00 0.00 C ATOM 0 HA PRO A -6 -13.411 7.869 7.167 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -12.747 7.267 4.470 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -11.562 7.638 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -11.939 5.141 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -10.842 5.479 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -13.521 4.169 5.791 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -12.178 3.999 6.904 1.00 0.00 H new ATOM 24 N LEU A -5 -15.740 7.901 6.488 1.00 0.00 N ATOM 25 CA LEU A -5 -17.089 8.112 5.983 1.00 0.00 C ATOM 26 C LEU A -5 -17.233 9.534 5.462 1.00 0.00 C ATOM 27 O LEU A -5 -17.208 10.493 6.235 1.00 0.00 O ATOM 28 CB LEU A -5 -18.117 7.848 7.084 1.00 0.00 C ATOM 29 CG LEU A -5 -19.578 8.042 6.670 1.00 0.00 C ATOM 30 CD1 LEU A -5 -19.960 7.063 5.569 1.00 0.00 C ATOM 31 CD2 LEU A -5 -20.496 7.876 7.868 1.00 0.00 C ATOM 0 H LEU A -5 -15.542 8.378 7.368 1.00 0.00 H new ATOM 0 HA LEU A -5 -17.269 7.415 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -17.990 6.826 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -17.903 8.508 7.925 1.00 0.00 H new ATOM 0 HG LEU A -5 -19.692 9.055 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -21.002 7.218 5.290 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -19.323 7.227 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -19.829 6.042 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -21.531 8.017 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -20.375 6.875 8.283 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -20.242 8.616 8.627 1.00 0.00 H new ATOM 43 N GLY A -4 -17.371 9.667 4.151 1.00 0.00 N ATOM 44 CA GLY A -4 -17.424 10.980 3.541 1.00 0.00 C ATOM 45 C GLY A -4 -16.035 11.558 3.369 1.00 0.00 C ATOM 46 O GLY A -4 -15.576 11.772 2.247 1.00 0.00 O ATOM 0 H GLY A -4 -17.447 8.888 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -17.916 10.914 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -18.025 11.647 4.159 1.00 0.00 H new ATOM 50 N SER A -3 -15.367 11.790 4.488 1.00 0.00 N ATOM 51 CA SER A -3 -13.996 12.249 4.486 1.00 0.00 C ATOM 52 C SER A -3 -13.060 11.044 4.518 1.00 0.00 C ATOM 53 O SER A -3 -13.127 10.225 5.438 1.00 0.00 O ATOM 54 CB SER A -3 -13.740 13.160 5.697 1.00 0.00 C ATOM 55 OG SER A -3 -12.425 13.692 5.686 1.00 0.00 O ATOM 0 H SER A -3 -15.763 11.664 5.419 1.00 0.00 H new ATOM 0 HA SER A -3 -13.808 12.824 3.580 1.00 0.00 H new ATOM 0 HB2 SER A -3 -14.463 13.976 5.697 1.00 0.00 H new ATOM 0 HB3 SER A -3 -13.896 12.596 6.616 1.00 0.00 H new ATOM 0 HG SER A -3 -12.298 14.267 6.469 1.00 0.00 H new ATOM 61 N PRO A -2 -12.203 10.899 3.494 1.00 0.00 N ATOM 62 CA PRO A -2 -11.229 9.807 3.425 1.00 0.00 C ATOM 63 C PRO A -2 -10.194 9.907 4.538 1.00 0.00 C ATOM 64 O PRO A -2 -9.673 10.987 4.806 1.00 0.00 O ATOM 65 CB PRO A -2 -10.545 10.006 2.066 1.00 0.00 C ATOM 66 CG PRO A -2 -11.436 10.925 1.301 1.00 0.00 C ATOM 67 CD PRO A -2 -12.114 11.787 2.324 1.00 0.00 C ATOM 0 HA PRO A -2 -11.706 8.833 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -9.550 10.435 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -10.422 9.056 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -10.863 11.530 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -12.166 10.365 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -11.537 12.686 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.098 12.114 1.989 1.00 0.00 H new ATOM 75 N GLU A -1 -9.890 8.788 5.180 1.00 0.00 N ATOM 76 CA GLU A -1 -8.923 8.793 6.262 1.00 0.00 C ATOM 77 C GLU A -1 -7.513 8.961 5.712 1.00 0.00 C ATOM 78 O GLU A -1 -7.214 8.512 4.603 1.00 0.00 O ATOM 79 CB GLU A -1 -9.022 7.523 7.108 1.00 0.00 C ATOM 80 CG GLU A -1 -10.262 7.481 7.980 1.00 0.00 C ATOM 81 CD GLU A -1 -10.289 6.286 8.906 1.00 0.00 C ATOM 82 OE1 GLU A -1 -10.374 5.144 8.411 1.00 0.00 O ATOM 83 OE2 GLU A -1 -10.269 6.484 10.136 1.00 0.00 O ATOM 0 H GLU A -1 -10.295 7.875 4.972 1.00 0.00 H new ATOM 0 HA GLU A -1 -9.151 9.640 6.910 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -9.019 6.654 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -8.138 7.446 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -10.315 8.395 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -11.147 7.462 7.344 1.00 0.00 H new ATOM 90 N PHE A 0 -6.654 9.608 6.482 1.00 0.00 N ATOM 91 CA PHE A 0 -5.287 9.850 6.054 1.00 0.00 C ATOM 92 C PHE A 0 -4.341 8.890 6.762 1.00 0.00 C ATOM 93 O PHE A 0 -4.289 8.843 7.991 1.00 0.00 O ATOM 94 CB PHE A 0 -4.891 11.301 6.341 1.00 0.00 C ATOM 95 CG PHE A 0 -3.470 11.625 5.973 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.054 11.578 4.653 1.00 0.00 C ATOM 97 CD2 PHE A 0 -2.552 11.970 6.949 1.00 0.00 C ATOM 98 CE1 PHE A 0 -1.748 11.871 4.312 1.00 0.00 C ATOM 99 CE2 PHE A 0 -1.243 12.264 6.616 1.00 0.00 C ATOM 100 CZ PHE A 0 -0.840 12.215 5.296 1.00 0.00 C ATOM 0 H PHE A 0 -6.879 9.975 7.407 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.218 9.679 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -5.559 11.966 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -5.038 11.505 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -3.759 11.309 3.881 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -2.862 12.010 7.983 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -1.437 11.831 3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -0.536 12.532 7.387 1.00 0.00 H new ATOM 0 HZ PHE A 0 0.182 12.445 5.033 1.00 0.00 H new ATOM 110 N MET A 1 -3.598 8.132 5.975 1.00 0.00 N ATOM 111 CA MET A 1 -2.689 7.131 6.511 1.00 0.00 C ATOM 112 C MET A 1 -1.289 7.326 5.940 1.00 0.00 C ATOM 113 O MET A 1 -1.130 7.540 4.735 1.00 0.00 O ATOM 114 CB MET A 1 -3.206 5.728 6.179 1.00 0.00 C ATOM 115 CG MET A 1 -2.305 4.613 6.675 1.00 0.00 C ATOM 116 SD MET A 1 -2.183 4.561 8.470 1.00 0.00 S ATOM 117 CE MET A 1 -0.887 3.345 8.660 1.00 0.00 C ATOM 0 H MET A 1 -3.606 8.190 4.957 1.00 0.00 H new ATOM 0 HA MET A 1 -2.639 7.244 7.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.197 5.603 6.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.319 5.638 5.099 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.685 3.657 6.313 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.309 4.741 6.251 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.598 3.282 9.709 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.248 2.373 8.324 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.023 3.638 8.063 1.00 0.00 H new ATOM 127 N GLU A 2 -0.281 7.247 6.799 1.00 0.00 N ATOM 128 CA GLU A 2 1.099 7.443 6.379 1.00 0.00 C ATOM 129 C GLU A 2 2.037 6.466 7.081 1.00 0.00 C ATOM 130 O GLU A 2 1.695 5.894 8.114 1.00 0.00 O ATOM 131 CB GLU A 2 1.540 8.899 6.615 1.00 0.00 C ATOM 132 CG GLU A 2 0.855 9.595 7.786 1.00 0.00 C ATOM 133 CD GLU A 2 1.260 9.059 9.145 1.00 0.00 C ATOM 134 OE1 GLU A 2 2.328 9.466 9.655 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.498 8.261 9.723 1.00 0.00 O ATOM 0 H GLU A 2 -0.394 7.048 7.793 1.00 0.00 H new ATOM 0 HA GLU A 2 1.154 7.241 5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.617 8.915 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.349 9.473 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.082 10.660 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.225 9.494 7.674 1.00 0.00 H new ATOM 142 N GLY A 3 3.202 6.252 6.489 1.00 0.00 N ATOM 143 CA GLY A 3 4.180 5.351 7.063 1.00 0.00 C ATOM 144 C GLY A 3 4.982 4.657 5.986 1.00 0.00 C ATOM 145 O GLY A 3 4.929 5.054 4.821 1.00 0.00 O ATOM 0 H GLY A 3 3.489 6.690 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.851 5.907 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.675 4.608 7.680 1.00 0.00 H new ATOM 149 N VAL A 4 5.725 3.623 6.354 1.00 0.00 N ATOM 150 CA VAL A 4 6.524 2.898 5.378 1.00 0.00 C ATOM 151 C VAL A 4 6.063 1.448 5.278 1.00 0.00 C ATOM 152 O VAL A 4 5.405 0.926 6.182 1.00 0.00 O ATOM 153 CB VAL A 4 8.045 2.934 5.696 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.453 4.256 6.324 1.00 0.00 C ATOM 155 CG2 VAL A 4 8.469 1.763 6.568 1.00 0.00 C ATOM 0 H VAL A 4 5.791 3.271 7.309 1.00 0.00 H new ATOM 0 HA VAL A 4 6.374 3.404 4.424 1.00 0.00 H new ATOM 0 HB VAL A 4 8.569 2.841 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.523 4.245 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.226 5.071 5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.904 4.402 7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.539 1.826 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.922 1.795 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.250 0.828 6.053 1.00 0.00 H new ATOM 165 N LEU A 5 6.410 0.814 4.170 1.00 0.00 N ATOM 166 CA LEU A 5 6.100 -0.590 3.936 1.00 0.00 C ATOM 167 C LEU A 5 7.324 -1.276 3.361 1.00 0.00 C ATOM 168 O LEU A 5 8.229 -0.620 2.838 1.00 0.00 O ATOM 169 CB LEU A 5 4.931 -0.776 2.950 1.00 0.00 C ATOM 170 CG LEU A 5 3.511 -0.544 3.487 1.00 0.00 C ATOM 171 CD1 LEU A 5 3.251 -1.340 4.764 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.255 0.935 3.694 1.00 0.00 C ATOM 0 H LEU A 5 6.916 1.258 3.404 1.00 0.00 H new ATOM 0 HA LEU A 5 5.809 -1.025 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.088 -0.100 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.981 -1.791 2.556 1.00 0.00 H new ATOM 0 HG LEU A 5 2.808 -0.909 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.236 -1.148 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.370 -2.404 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.961 -1.036 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.244 1.079 4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.973 1.332 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.364 1.459 2.745 1.00 0.00 H new ATOM 184 N TYR A 6 7.351 -2.587 3.480 1.00 0.00 N ATOM 185 CA TYR A 6 8.374 -3.394 2.845 1.00 0.00 C ATOM 186 C TYR A 6 8.202 -3.370 1.331 1.00 0.00 C ATOM 187 O TYR A 6 7.111 -3.612 0.817 1.00 0.00 O ATOM 188 CB TYR A 6 8.305 -4.826 3.399 1.00 0.00 C ATOM 189 CG TYR A 6 8.499 -5.938 2.381 1.00 0.00 C ATOM 190 CD1 TYR A 6 9.762 -6.439 2.101 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.414 -6.494 1.708 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.942 -7.456 1.182 1.00 0.00 C ATOM 193 CE2 TYR A 6 7.588 -7.510 0.788 1.00 0.00 C ATOM 194 CZ TYR A 6 8.852 -7.986 0.530 1.00 0.00 C ATOM 195 OH TYR A 6 9.026 -8.996 -0.387 1.00 0.00 O ATOM 0 H TYR A 6 6.668 -3.122 4.017 1.00 0.00 H new ATOM 0 HA TYR A 6 9.359 -2.984 3.067 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.063 -4.932 4.175 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.336 -4.964 3.879 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.621 -6.027 2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.419 -6.125 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.933 -7.833 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.735 -7.928 0.274 1.00 0.00 H new ATOM 0 HH TYR A 6 9.827 -9.512 -0.157 1.00 0.00 H new ATOM 205 N LYS A 7 9.271 -3.045 0.628 1.00 0.00 N ATOM 206 CA LYS A 7 9.259 -3.067 -0.820 1.00 0.00 C ATOM 207 C LYS A 7 10.325 -4.021 -1.336 1.00 0.00 C ATOM 208 O LYS A 7 11.517 -3.836 -1.075 1.00 0.00 O ATOM 209 CB LYS A 7 9.488 -1.660 -1.386 1.00 0.00 C ATOM 210 CG LYS A 7 9.644 -1.620 -2.902 1.00 0.00 C ATOM 211 CD LYS A 7 8.374 -2.060 -3.617 1.00 0.00 C ATOM 212 CE LYS A 7 8.620 -2.290 -5.101 1.00 0.00 C ATOM 213 NZ LYS A 7 9.204 -1.097 -5.767 1.00 0.00 N ATOM 0 H LYS A 7 10.160 -2.762 1.039 1.00 0.00 H new ATOM 0 HA LYS A 7 8.281 -3.415 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.650 -1.024 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.381 -1.236 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.903 -0.608 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.470 -2.266 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.999 -2.977 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.602 -1.302 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.291 -3.139 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.680 -2.551 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.213 -1.244 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.632 -0.258 -5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.177 -0.953 -5.430 1.00 0.00 H new ATOM 227 N TRP A 8 9.888 -5.056 -2.035 1.00 0.00 N ATOM 228 CA TRP A 8 10.809 -5.984 -2.668 1.00 0.00 C ATOM 229 C TRP A 8 11.445 -5.325 -3.883 1.00 0.00 C ATOM 230 O TRP A 8 10.755 -4.720 -4.707 1.00 0.00 O ATOM 231 CB TRP A 8 10.083 -7.266 -3.086 1.00 0.00 C ATOM 232 CG TRP A 8 10.993 -8.295 -3.693 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.196 -8.528 -5.024 1.00 0.00 C ATOM 234 CD2 TRP A 8 11.830 -9.225 -2.991 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.110 -9.541 -5.193 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.513 -9.986 -3.959 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.071 -9.483 -1.639 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.416 -10.991 -3.614 1.00 0.00 C ATOM 239 CZ3 TRP A 8 12.966 -10.480 -1.299 1.00 0.00 C ATOM 240 CH2 TRP A 8 13.632 -11.221 -2.281 1.00 0.00 C ATOM 0 H TRP A 8 8.902 -5.274 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 8 11.587 -6.249 -1.952 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.590 -7.696 -2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.301 -7.015 -3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.709 -7.994 -5.827 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.435 -9.903 -6.089 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.567 -8.913 -0.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 13.927 -11.568 -4.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.154 -10.691 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.330 -11.989 -1.982 1.00 0.00 H new ATOM 251 N THR A 9 12.758 -5.425 -3.981 1.00 0.00 N ATOM 252 CA THR A 9 13.477 -4.851 -5.100 1.00 0.00 C ATOM 253 C THR A 9 14.190 -5.937 -5.895 1.00 0.00 C ATOM 254 O THR A 9 13.773 -6.290 -6.999 1.00 0.00 O ATOM 255 CB THR A 9 14.490 -3.790 -4.625 1.00 0.00 C ATOM 256 OG1 THR A 9 15.189 -4.262 -3.459 1.00 0.00 O ATOM 257 CG2 THR A 9 13.784 -2.480 -4.306 1.00 0.00 C ATOM 0 H THR A 9 13.348 -5.899 -3.297 1.00 0.00 H new ATOM 0 HA THR A 9 12.748 -4.363 -5.747 1.00 0.00 H new ATOM 0 HB THR A 9 15.206 -3.615 -5.428 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.773 -3.553 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.516 -1.744 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.280 -2.111 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.050 -2.645 -3.517 1.00 0.00 H new ATOM 265 N ASN A 10 15.260 -6.459 -5.322 1.00 0.00 N ATOM 266 CA ASN A 10 16.006 -7.562 -5.906 1.00 0.00 C ATOM 267 C ASN A 10 16.407 -8.508 -4.790 1.00 0.00 C ATOM 268 O ASN A 10 16.520 -8.092 -3.640 1.00 0.00 O ATOM 269 CB ASN A 10 17.260 -7.043 -6.628 1.00 0.00 C ATOM 270 CG ASN A 10 16.957 -6.365 -7.954 1.00 0.00 C ATOM 271 OD1 ASN A 10 16.048 -6.766 -8.682 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.708 -5.315 -8.270 1.00 0.00 N ATOM 0 H ASN A 10 15.638 -6.129 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 10 15.385 -8.080 -6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.778 -6.338 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.941 -7.876 -6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.540 -4.812 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.452 -5.012 -7.641 1.00 0.00 H new ATOM 279 N TYR A 11 16.632 -9.772 -5.117 1.00 0.00 N ATOM 280 CA TYR A 11 16.965 -10.759 -4.097 1.00 0.00 C ATOM 281 C TYR A 11 18.379 -10.514 -3.572 1.00 0.00 C ATOM 282 O TYR A 11 18.754 -11.007 -2.509 1.00 0.00 O ATOM 283 CB TYR A 11 16.812 -12.189 -4.644 1.00 0.00 C ATOM 284 CG TYR A 11 18.044 -12.751 -5.324 1.00 0.00 C ATOM 285 CD1 TYR A 11 18.456 -12.297 -6.571 1.00 0.00 C ATOM 286 CD2 TYR A 11 18.788 -13.753 -4.711 1.00 0.00 C ATOM 287 CE1 TYR A 11 19.576 -12.822 -7.184 1.00 0.00 C ATOM 288 CE2 TYR A 11 19.908 -14.280 -5.316 1.00 0.00 C ATOM 289 CZ TYR A 11 20.299 -13.815 -6.551 1.00 0.00 C ATOM 290 OH TYR A 11 21.413 -14.346 -7.156 1.00 0.00 O ATOM 0 H TYR A 11 16.591 -10.137 -6.069 1.00 0.00 H new ATOM 0 HA TYR A 11 16.267 -10.652 -3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 11 16.537 -12.849 -3.821 1.00 0.00 H new ATOM 0 HB3 TYR A 11 15.985 -12.203 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.892 -11.522 -7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 11 18.483 -14.125 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.885 -12.459 -8.153 1.00 0.00 H new ATOM 0 HE2 TYR A 11 20.477 -15.055 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 11 21.805 -15.032 -6.576 1.00 0.00 H new ATOM 300 N LEU A 12 19.154 -9.745 -4.332 1.00 0.00 N ATOM 301 CA LEU A 12 20.492 -9.346 -3.916 1.00 0.00 C ATOM 302 C LEU A 12 20.422 -8.298 -2.808 1.00 0.00 C ATOM 303 O LEU A 12 21.179 -8.348 -1.840 1.00 0.00 O ATOM 304 CB LEU A 12 21.277 -8.791 -5.109 1.00 0.00 C ATOM 305 CG LEU A 12 21.569 -9.798 -6.225 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.229 -9.107 -7.409 1.00 0.00 C ATOM 307 CD2 LEU A 12 22.452 -10.923 -5.702 1.00 0.00 C ATOM 0 H LEU A 12 18.874 -9.385 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 12 21.006 -10.227 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 12 20.720 -7.955 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.224 -8.391 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 12 20.625 -10.226 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 12 22.429 -9.838 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 12 21.565 -8.334 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.167 -8.653 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.652 -11.632 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.393 -10.509 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.944 -11.435 -4.885 1.00 0.00 H new ATOM 319 N THR A 13 19.500 -7.357 -2.957 1.00 0.00 N ATOM 320 CA THR A 13 19.337 -6.276 -1.998 1.00 0.00 C ATOM 321 C THR A 13 18.447 -6.701 -0.833 1.00 0.00 C ATOM 322 O THR A 13 18.673 -6.316 0.315 1.00 0.00 O ATOM 323 CB THR A 13 18.739 -5.034 -2.691 1.00 0.00 C ATOM 324 OG1 THR A 13 17.698 -5.436 -3.591 1.00 0.00 O ATOM 325 CG2 THR A 13 19.811 -4.275 -3.458 1.00 0.00 C ATOM 0 H THR A 13 18.848 -7.322 -3.741 1.00 0.00 H new ATOM 0 HA THR A 13 20.322 -6.027 -1.602 1.00 0.00 H new ATOM 0 HB THR A 13 18.328 -4.376 -1.925 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.850 -5.031 -3.313 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.366 -3.403 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.591 -3.951 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.245 -4.926 -4.217 1.00 0.00 H new ATOM 333 N GLY A 14 17.440 -7.505 -1.141 1.00 0.00 N ATOM 334 CA GLY A 14 16.519 -7.967 -0.126 1.00 0.00 C ATOM 335 C GLY A 14 15.244 -7.161 -0.125 1.00 0.00 C ATOM 336 O GLY A 14 14.388 -7.332 -0.993 1.00 0.00 O ATOM 0 H GLY A 14 17.245 -7.847 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.286 -9.018 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.993 -7.901 0.853 1.00 0.00 H new ATOM 340 N TRP A 15 15.126 -6.260 0.832 1.00 0.00 N ATOM 341 CA TRP A 15 13.935 -5.448 0.951 1.00 0.00 C ATOM 342 C TRP A 15 14.320 -4.008 1.267 1.00 0.00 C ATOM 343 O TRP A 15 15.331 -3.760 1.927 1.00 0.00 O ATOM 344 CB TRP A 15 13.008 -6.012 2.036 1.00 0.00 C ATOM 345 CG TRP A 15 13.326 -5.536 3.422 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.327 -5.970 4.245 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.621 -4.525 4.146 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.293 -5.275 5.433 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.252 -4.381 5.393 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.522 -3.721 3.849 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.811 -3.464 6.347 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.083 -2.814 4.791 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.727 -2.687 6.026 1.00 0.00 C ATOM 0 H TRP A 15 15.840 -6.074 1.536 1.00 0.00 H new ATOM 0 HA TRP A 15 13.397 -5.466 0.003 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.980 -5.740 1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.063 -7.100 2.016 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.039 -6.744 4.000 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.936 -5.403 6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.022 -3.807 2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.305 -3.369 7.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.228 -2.192 4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.364 -1.963 6.741 1.00 0.00 H new ATOM 364 N GLN A 16 13.526 -3.066 0.781 1.00 0.00 N ATOM 365 CA GLN A 16 13.770 -1.653 1.034 1.00 0.00 C ATOM 366 C GLN A 16 12.505 -1.001 1.581 1.00 0.00 C ATOM 367 O GLN A 16 11.455 -1.065 0.946 1.00 0.00 O ATOM 368 CB GLN A 16 14.188 -0.947 -0.266 1.00 0.00 C ATOM 369 CG GLN A 16 15.370 -1.592 -0.980 1.00 0.00 C ATOM 370 CD GLN A 16 16.700 -1.354 -0.288 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.771 -1.178 0.926 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.768 -1.344 -1.067 1.00 0.00 N ATOM 0 H GLN A 16 12.704 -3.255 0.207 1.00 0.00 H new ATOM 0 HA GLN A 16 14.573 -1.561 1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.336 -0.928 -0.945 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.438 0.089 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.196 -2.665 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.425 -1.205 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.668 -1.494 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.692 -1.186 -0.664 1.00 0.00 H new ATOM 381 N PRO A 17 12.570 -0.396 2.777 1.00 0.00 N ATOM 382 CA PRO A 17 11.458 0.390 3.311 1.00 0.00 C ATOM 383 C PRO A 17 11.177 1.619 2.453 1.00 0.00 C ATOM 384 O PRO A 17 12.066 2.431 2.201 1.00 0.00 O ATOM 385 CB PRO A 17 11.939 0.808 4.702 1.00 0.00 C ATOM 386 CG PRO A 17 13.423 0.703 4.637 1.00 0.00 C ATOM 387 CD PRO A 17 13.698 -0.456 3.723 1.00 0.00 C ATOM 0 HA PRO A 17 10.527 -0.176 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.624 1.824 4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.530 0.157 5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.866 1.621 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.849 0.534 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.658 -0.353 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.723 -1.402 4.264 1.00 0.00 H new ATOM 395 N ARG A 18 9.948 1.738 1.984 1.00 0.00 N ATOM 396 CA ARG A 18 9.547 2.893 1.191 1.00 0.00 C ATOM 397 C ARG A 18 8.359 3.585 1.834 1.00 0.00 C ATOM 398 O ARG A 18 7.605 2.963 2.579 1.00 0.00 O ATOM 399 CB ARG A 18 9.212 2.478 -0.243 1.00 0.00 C ATOM 400 CG ARG A 18 10.436 2.229 -1.104 1.00 0.00 C ATOM 401 CD ARG A 18 11.274 3.489 -1.248 1.00 0.00 C ATOM 402 NE ARG A 18 12.371 3.314 -2.199 1.00 0.00 N ATOM 403 CZ ARG A 18 13.219 4.286 -2.538 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.150 5.466 -1.934 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.144 4.070 -3.467 1.00 0.00 N ATOM 0 H ARG A 18 9.209 1.052 2.137 1.00 0.00 H new ATOM 0 HA ARG A 18 10.383 3.592 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.605 1.573 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.605 3.256 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.040 1.437 -0.662 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.126 1.881 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.638 4.311 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.679 3.768 -0.275 1.00 0.00 H new ATOM 0 HE ARG A 18 12.495 2.397 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.449 5.629 -1.211 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.798 6.210 -2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.207 3.159 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.792 4.815 -3.725 1.00 0.00 H new ATOM 419 N TRP A 19 8.188 4.863 1.531 1.00 0.00 N ATOM 420 CA TRP A 19 7.159 5.659 2.175 1.00 0.00 C ATOM 421 C TRP A 19 5.891 5.667 1.329 1.00 0.00 C ATOM 422 O TRP A 19 5.908 6.059 0.158 1.00 0.00 O ATOM 423 CB TRP A 19 7.664 7.088 2.403 1.00 0.00 C ATOM 424 CG TRP A 19 6.743 7.923 3.240 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.692 8.671 2.802 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.795 8.096 4.661 1.00 0.00 C ATOM 427 NE1 TRP A 19 5.085 9.299 3.863 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.743 8.960 5.015 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.627 7.601 5.669 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.504 9.342 6.333 1.00 0.00 C ATOM 431 CZ3 TRP A 19 7.389 7.979 6.976 1.00 0.00 C ATOM 432 CH2 TRP A 19 6.334 8.841 7.299 1.00 0.00 C ATOM 0 H TRP A 19 8.748 5.368 0.845 1.00 0.00 H new ATOM 0 HA TRP A 19 6.924 5.216 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.641 7.047 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.804 7.573 1.437 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.381 8.758 1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.276 9.917 3.802 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.442 6.934 5.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.693 10.010 6.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.027 7.603 7.762 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.172 9.116 8.331 1.00 0.00 H new ATOM 443 N PHE A 20 4.798 5.225 1.933 1.00 0.00 N ATOM 444 CA PHE A 20 3.514 5.146 1.255 1.00 0.00 C ATOM 445 C PHE A 20 2.486 5.957 2.026 1.00 0.00 C ATOM 446 O PHE A 20 2.544 6.029 3.252 1.00 0.00 O ATOM 447 CB PHE A 20 3.034 3.694 1.149 1.00 0.00 C ATOM 448 CG PHE A 20 3.895 2.810 0.286 1.00 0.00 C ATOM 449 CD1 PHE A 20 5.026 2.205 0.806 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.562 2.573 -1.038 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.809 1.379 0.025 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.343 1.750 -1.825 1.00 0.00 C ATOM 453 CZ PHE A 20 5.469 1.152 -1.293 1.00 0.00 C ATOM 0 H PHE A 20 4.776 4.912 2.904 1.00 0.00 H new ATOM 0 HA PHE A 20 3.633 5.546 0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.987 3.267 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.019 3.689 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.299 2.381 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.682 3.037 -1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.687 0.911 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.074 1.574 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.082 0.509 -1.907 1.00 0.00 H new ATOM 463 N VAL A 21 1.564 6.581 1.312 1.00 0.00 N ATOM 464 CA VAL A 21 0.492 7.339 1.946 1.00 0.00 C ATOM 465 C VAL A 21 -0.845 7.046 1.277 1.00 0.00 C ATOM 466 O VAL A 21 -0.933 6.967 0.051 1.00 0.00 O ATOM 467 CB VAL A 21 0.747 8.869 1.935 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.919 9.228 2.831 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.985 9.387 0.524 1.00 0.00 C ATOM 0 H VAL A 21 1.534 6.579 0.292 1.00 0.00 H new ATOM 0 HA VAL A 21 0.466 7.015 2.986 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.151 9.350 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.079 10.306 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.705 8.916 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.816 8.720 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.160 10.462 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.856 8.890 0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.110 9.180 -0.092 1.00 0.00 H new ATOM 479 N LEU A 22 -1.879 6.854 2.083 1.00 0.00 N ATOM 480 CA LEU A 22 -3.222 6.684 1.552 1.00 0.00 C ATOM 481 C LEU A 22 -3.959 7.994 1.755 1.00 0.00 C ATOM 482 O LEU A 22 -4.132 8.450 2.890 1.00 0.00 O ATOM 483 CB LEU A 22 -3.949 5.525 2.266 1.00 0.00 C ATOM 484 CG LEU A 22 -5.232 4.990 1.595 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.398 5.954 1.761 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.982 4.705 0.125 1.00 0.00 C ATOM 0 H LEU A 22 -1.814 6.812 3.100 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.185 6.431 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.248 4.696 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.204 5.853 3.274 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.502 4.059 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.283 5.542 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.601 6.100 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.146 6.911 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.897 4.328 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.676 5.623 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.194 3.959 0.028 1.00 0.00 H new ATOM 498 N ASP A 23 -4.380 8.597 0.660 1.00 0.00 N ATOM 499 CA ASP A 23 -5.011 9.906 0.713 1.00 0.00 C ATOM 500 C ASP A 23 -6.065 10.053 -0.374 1.00 0.00 C ATOM 501 O ASP A 23 -5.776 9.893 -1.561 1.00 0.00 O ATOM 502 CB ASP A 23 -3.950 11.005 0.577 1.00 0.00 C ATOM 503 CG ASP A 23 -4.532 12.399 0.699 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.430 12.602 1.544 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.087 13.303 -0.041 1.00 0.00 O ATOM 0 H ASP A 23 -4.298 8.204 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.508 10.006 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.188 10.866 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.453 10.907 -0.388 1.00 0.00 H new ATOM 510 N ASN A 24 -7.293 10.328 0.054 1.00 0.00 N ATOM 511 CA ASN A 24 -8.418 10.591 -0.847 1.00 0.00 C ATOM 512 C ASN A 24 -8.648 9.425 -1.820 1.00 0.00 C ATOM 513 O ASN A 24 -8.899 9.624 -3.011 1.00 0.00 O ATOM 514 CB ASN A 24 -8.190 11.904 -1.610 1.00 0.00 C ATOM 515 CG ASN A 24 -9.478 12.512 -2.144 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.132 13.304 -1.465 1.00 0.00 O ATOM 517 ND2 ASN A 24 -9.846 12.156 -3.364 1.00 0.00 N ATOM 0 H ASN A 24 -7.541 10.376 1.042 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.319 10.689 -0.241 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.702 12.621 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.509 11.721 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.698 12.541 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.278 11.497 -3.896 1.00 0.00 H new ATOM 524 N GLY A 25 -8.555 8.204 -1.304 1.00 0.00 N ATOM 525 CA GLY A 25 -8.806 7.027 -2.123 1.00 0.00 C ATOM 526 C GLY A 25 -7.649 6.693 -3.043 1.00 0.00 C ATOM 527 O GLY A 25 -7.750 5.793 -3.877 1.00 0.00 O ATOM 0 H GLY A 25 -8.311 8.006 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.006 6.174 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.703 7.190 -2.720 1.00 0.00 H new ATOM 531 N ILE A 26 -6.556 7.423 -2.911 1.00 0.00 N ATOM 532 CA ILE A 26 -5.377 7.172 -3.715 1.00 0.00 C ATOM 533 C ILE A 26 -4.219 6.751 -2.823 1.00 0.00 C ATOM 534 O ILE A 26 -3.959 7.374 -1.795 1.00 0.00 O ATOM 535 CB ILE A 26 -4.969 8.419 -4.530 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.139 8.915 -5.387 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.759 8.116 -5.399 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.744 7.852 -6.283 1.00 0.00 C ATOM 0 H ILE A 26 -6.462 8.196 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.618 6.371 -4.414 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.701 9.211 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.916 9.307 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.796 9.744 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.486 9.006 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.923 7.818 -4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.000 7.307 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.565 8.283 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.983 7.476 -6.967 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.120 7.032 -5.672 1.00 0.00 H new ATOM 550 N LEU A 27 -3.542 5.685 -3.208 1.00 0.00 N ATOM 551 CA LEU A 27 -2.385 5.209 -2.471 1.00 0.00 C ATOM 552 C LEU A 27 -1.135 5.594 -3.249 1.00 0.00 C ATOM 553 O LEU A 27 -0.861 5.038 -4.303 1.00 0.00 O ATOM 554 CB LEU A 27 -2.488 3.679 -2.280 1.00 0.00 C ATOM 555 CG LEU A 27 -1.497 3.027 -1.294 1.00 0.00 C ATOM 556 CD1 LEU A 27 -0.087 2.985 -1.867 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.508 3.762 0.040 1.00 0.00 C ATOM 0 H LEU A 27 -3.775 5.130 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.338 5.662 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.499 3.447 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.357 3.207 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.821 1.999 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.585 2.519 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.087 2.406 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.251 4.000 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.803 3.288 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.220 4.802 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.510 3.723 0.468 1.00 0.00 H new ATOM 569 N SER A 28 -0.381 6.543 -2.738 1.00 0.00 N ATOM 570 CA SER A 28 0.781 7.037 -3.453 1.00 0.00 C ATOM 571 C SER A 28 2.076 6.589 -2.786 1.00 0.00 C ATOM 572 O SER A 28 2.133 6.403 -1.568 1.00 0.00 O ATOM 573 CB SER A 28 0.708 8.560 -3.564 1.00 0.00 C ATOM 574 OG SER A 28 0.109 9.124 -2.412 1.00 0.00 O ATOM 0 H SER A 28 -0.548 6.987 -1.835 1.00 0.00 H new ATOM 0 HA SER A 28 0.780 6.613 -4.457 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.711 8.967 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.135 8.837 -4.449 1.00 0.00 H new ATOM 0 HG SER A 28 0.075 10.099 -2.505 1.00 0.00 H new ATOM 580 N TYR A 29 3.104 6.400 -3.596 1.00 0.00 N ATOM 581 CA TYR A 29 4.395 5.955 -3.107 1.00 0.00 C ATOM 582 C TYR A 29 5.465 6.974 -3.457 1.00 0.00 C ATOM 583 O TYR A 29 5.502 7.486 -4.576 1.00 0.00 O ATOM 584 CB TYR A 29 4.749 4.575 -3.681 1.00 0.00 C ATOM 585 CG TYR A 29 4.669 4.477 -5.195 1.00 0.00 C ATOM 586 CD1 TYR A 29 3.453 4.259 -5.834 1.00 0.00 C ATOM 587 CD2 TYR A 29 5.808 4.596 -5.984 1.00 0.00 C ATOM 588 CE1 TYR A 29 3.375 4.165 -7.211 1.00 0.00 C ATOM 589 CE2 TYR A 29 5.737 4.503 -7.362 1.00 0.00 C ATOM 590 CZ TYR A 29 4.518 4.288 -7.970 1.00 0.00 C ATOM 591 OH TYR A 29 4.441 4.196 -9.343 1.00 0.00 O ATOM 0 H TYR A 29 3.067 6.550 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 29 4.343 5.863 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.760 4.314 -3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.079 3.833 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.554 4.161 -5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 29 6.765 4.764 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.422 3.996 -7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.632 4.598 -7.959 1.00 0.00 H new ATOM 0 HH TYR A 29 5.335 4.306 -9.729 1.00 0.00 H new ATOM 601 N TYR A 30 6.317 7.280 -2.495 1.00 0.00 N ATOM 602 CA TYR A 30 7.361 8.268 -2.695 1.00 0.00 C ATOM 603 C TYR A 30 8.697 7.739 -2.207 1.00 0.00 C ATOM 604 O TYR A 30 8.759 6.679 -1.574 1.00 0.00 O ATOM 605 CB TYR A 30 7.006 9.571 -1.976 1.00 0.00 C ATOM 606 CG TYR A 30 5.797 10.271 -2.561 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.931 11.137 -3.638 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.526 10.068 -2.036 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.834 11.784 -4.175 1.00 0.00 C ATOM 610 CE2 TYR A 30 3.424 10.709 -2.569 1.00 0.00 C ATOM 611 CZ TYR A 30 3.585 11.567 -3.639 1.00 0.00 C ATOM 612 OH TYR A 30 2.491 12.210 -4.175 1.00 0.00 O ATOM 0 H TYR A 30 6.306 6.858 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 30 7.443 8.472 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.819 9.357 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.862 10.245 -2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.909 11.308 -4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.398 9.399 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.956 12.457 -5.011 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.443 10.540 -2.151 1.00 0.00 H new ATOM 0 HH TYR A 30 2.583 12.255 -5.150 1.00 0.00 H new ATOM 622 N ASP A 31 9.763 8.463 -2.504 1.00 0.00 N ATOM 623 CA ASP A 31 11.096 8.047 -2.084 1.00 0.00 C ATOM 624 C ASP A 31 11.267 8.217 -0.580 1.00 0.00 C ATOM 625 O ASP A 31 11.819 7.343 0.091 1.00 0.00 O ATOM 626 CB ASP A 31 12.165 8.863 -2.819 1.00 0.00 C ATOM 627 CG ASP A 31 13.557 8.646 -2.255 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.943 9.374 -1.318 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.269 7.740 -2.742 1.00 0.00 O ATOM 0 H ASP A 31 9.735 9.336 -3.031 1.00 0.00 H new ATOM 0 HA ASP A 31 11.214 6.993 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.159 8.594 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.914 9.922 -2.758 1.00 0.00 H new ATOM 634 N SER A 32 10.732 9.312 -0.057 1.00 0.00 N ATOM 635 CA SER A 32 10.880 9.655 1.349 1.00 0.00 C ATOM 636 C SER A 32 9.748 10.582 1.788 1.00 0.00 C ATOM 637 O SER A 32 8.864 10.907 0.993 1.00 0.00 O ATOM 638 CB SER A 32 12.232 10.338 1.599 1.00 0.00 C ATOM 639 OG SER A 32 13.321 9.477 1.307 1.00 0.00 O ATOM 0 H SER A 32 10.185 9.985 -0.594 1.00 0.00 H new ATOM 0 HA SER A 32 10.837 8.735 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.304 11.236 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.291 10.658 2.639 1.00 0.00 H new ATOM 0 HG SER A 32 13.555 9.556 0.359 1.00 0.00 H new ATOM 645 N GLN A 33 9.781 11.004 3.044 1.00 0.00 N ATOM 646 CA GLN A 33 8.779 11.917 3.580 1.00 0.00 C ATOM 647 C GLN A 33 8.777 13.244 2.816 1.00 0.00 C ATOM 648 O GLN A 33 7.727 13.716 2.379 1.00 0.00 O ATOM 649 CB GLN A 33 9.056 12.163 5.062 1.00 0.00 C ATOM 650 CG GLN A 33 8.069 13.102 5.732 1.00 0.00 C ATOM 651 CD GLN A 33 8.347 13.261 7.212 1.00 0.00 C ATOM 652 OE1 GLN A 33 8.087 14.312 7.792 1.00 0.00 O ATOM 653 NE2 GLN A 33 8.880 12.217 7.832 1.00 0.00 N ATOM 0 H GLN A 33 10.496 10.727 3.716 1.00 0.00 H new ATOM 0 HA GLN A 33 7.796 11.462 3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.044 11.207 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.060 12.573 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.113 14.078 5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.057 12.722 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.080 11.363 7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.090 12.268 8.829 1.00 0.00 H new ATOM 662 N ASP A 34 9.961 13.827 2.649 1.00 0.00 N ATOM 663 CA ASP A 34 10.116 15.094 1.929 1.00 0.00 C ATOM 664 C ASP A 34 9.673 14.963 0.475 1.00 0.00 C ATOM 665 O ASP A 34 9.160 15.911 -0.122 1.00 0.00 O ATOM 666 CB ASP A 34 11.575 15.562 2.001 1.00 0.00 C ATOM 667 CG ASP A 34 11.922 16.613 0.960 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.416 17.752 1.050 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.709 16.301 0.041 1.00 0.00 O ATOM 0 H ASP A 34 10.835 13.441 3.005 1.00 0.00 H new ATOM 0 HA ASP A 34 9.477 15.837 2.407 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.771 15.966 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.232 14.702 1.872 1.00 0.00 H new ATOM 674 N ASP A 35 9.842 13.768 -0.070 1.00 0.00 N ATOM 675 CA ASP A 35 9.521 13.502 -1.469 1.00 0.00 C ATOM 676 C ASP A 35 8.010 13.555 -1.691 1.00 0.00 C ATOM 677 O ASP A 35 7.539 13.826 -2.794 1.00 0.00 O ATOM 678 CB ASP A 35 10.083 12.140 -1.882 1.00 0.00 C ATOM 679 CG ASP A 35 9.949 11.862 -3.366 1.00 0.00 C ATOM 680 OD1 ASP A 35 10.518 12.625 -4.176 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.289 10.866 -3.727 1.00 0.00 O ATOM 0 H ASP A 35 10.202 12.960 0.437 1.00 0.00 H new ATOM 0 HA ASP A 35 9.980 14.271 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.136 12.089 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.568 11.358 -1.325 1.00 0.00 H new ATOM 686 N VAL A 36 7.258 13.326 -0.619 1.00 0.00 N ATOM 687 CA VAL A 36 5.801 13.425 -0.659 1.00 0.00 C ATOM 688 C VAL A 36 5.378 14.867 -0.912 1.00 0.00 C ATOM 689 O VAL A 36 4.483 15.136 -1.715 1.00 0.00 O ATOM 690 CB VAL A 36 5.160 12.950 0.666 1.00 0.00 C ATOM 691 CG1 VAL A 36 3.646 13.101 0.627 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.537 11.512 0.960 1.00 0.00 C ATOM 0 H VAL A 36 7.635 13.069 0.293 1.00 0.00 H new ATOM 0 HA VAL A 36 5.457 12.781 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 36 5.546 13.581 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.222 12.760 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.389 14.149 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.242 12.503 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.075 11.199 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.187 10.871 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.621 11.430 1.045 1.00 0.00 H new ATOM 702 N CYS A 37 6.056 15.788 -0.241 1.00 0.00 N ATOM 703 CA CYS A 37 5.728 17.200 -0.313 1.00 0.00 C ATOM 704 C CYS A 37 6.002 17.768 -1.702 1.00 0.00 C ATOM 705 O CYS A 37 5.483 18.825 -2.061 1.00 0.00 O ATOM 706 CB CYS A 37 6.543 17.952 0.732 1.00 0.00 C ATOM 707 SG CYS A 37 6.177 17.471 2.435 1.00 0.00 S ATOM 0 H CYS A 37 6.847 15.575 0.367 1.00 0.00 H new ATOM 0 HA CYS A 37 4.663 17.321 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.603 17.787 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.361 19.021 0.620 1.00 0.00 H new ATOM 0 HG CYS A 37 6.919 18.161 3.250 1.00 0.00 H new ATOM 713 N LYS A 38 6.834 17.075 -2.474 1.00 0.00 N ATOM 714 CA LYS A 38 7.139 17.496 -3.831 1.00 0.00 C ATOM 715 C LYS A 38 5.899 17.408 -4.709 1.00 0.00 C ATOM 716 O LYS A 38 5.645 18.271 -5.552 1.00 0.00 O ATOM 717 CB LYS A 38 8.261 16.648 -4.441 1.00 0.00 C ATOM 718 CG LYS A 38 9.449 16.414 -3.523 1.00 0.00 C ATOM 719 CD LYS A 38 9.911 17.696 -2.864 1.00 0.00 C ATOM 720 CE LYS A 38 11.367 17.601 -2.447 1.00 0.00 C ATOM 721 NZ LYS A 38 11.750 18.680 -1.498 1.00 0.00 N ATOM 0 H LYS A 38 7.307 16.220 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 38 7.476 18.532 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.850 15.682 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.612 17.135 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.178 15.688 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.271 15.982 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.780 18.530 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.292 17.904 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.548 16.631 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.001 17.655 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.786 18.714 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.402 19.594 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.330 18.488 -0.566 1.00 0.00 H new ATOM 735 N GLY A 39 5.122 16.363 -4.487 1.00 0.00 N ATOM 736 CA GLY A 39 3.902 16.168 -5.243 1.00 0.00 C ATOM 737 C GLY A 39 4.116 15.357 -6.503 1.00 0.00 C ATOM 738 O GLY A 39 3.670 15.748 -7.584 1.00 0.00 O ATOM 0 H GLY A 39 5.314 15.641 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.167 15.666 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.485 17.140 -5.508 1.00 0.00 H new ATOM 742 N SER A 40 4.799 14.230 -6.368 1.00 0.00 N ATOM 743 CA SER A 40 5.036 13.344 -7.495 1.00 0.00 C ATOM 744 C SER A 40 3.748 12.643 -7.915 1.00 0.00 C ATOM 745 O SER A 40 2.933 12.251 -7.076 1.00 0.00 O ATOM 746 CB SER A 40 6.124 12.330 -7.145 1.00 0.00 C ATOM 747 OG SER A 40 7.306 12.998 -6.743 1.00 0.00 O ATOM 0 H SER A 40 5.199 13.908 -5.487 1.00 0.00 H new ATOM 0 HA SER A 40 5.379 13.940 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.778 11.676 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.331 11.696 -8.007 1.00 0.00 H new ATOM 0 HG SER A 40 7.995 12.338 -6.520 1.00 0.00 H new ATOM 753 N LYS A 41 3.570 12.498 -9.226 1.00 0.00 N ATOM 754 CA LYS A 41 2.343 11.937 -9.792 1.00 0.00 C ATOM 755 C LYS A 41 2.313 10.414 -9.685 1.00 0.00 C ATOM 756 O LYS A 41 1.349 9.774 -10.110 1.00 0.00 O ATOM 757 CB LYS A 41 2.180 12.364 -11.256 1.00 0.00 C ATOM 758 CG LYS A 41 1.562 13.738 -11.417 1.00 0.00 C ATOM 759 CD LYS A 41 2.428 14.813 -10.793 1.00 0.00 C ATOM 760 CE LYS A 41 1.633 16.076 -10.563 1.00 0.00 C ATOM 761 NZ LYS A 41 2.435 17.122 -9.873 1.00 0.00 N ATOM 0 H LYS A 41 4.266 12.764 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 41 1.509 12.329 -9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.156 12.354 -11.740 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.560 11.632 -11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.421 13.953 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.575 13.751 -10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.833 14.456 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.277 15.025 -11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.281 16.462 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.750 15.845 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.809 17.895 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.904 16.708 -9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.154 17.495 -10.526 1.00 0.00 H new ATOM 775 N GLY A 42 3.369 9.842 -9.117 1.00 0.00 N ATOM 776 CA GLY A 42 3.426 8.403 -8.924 1.00 0.00 C ATOM 777 C GLY A 42 2.470 7.932 -7.843 1.00 0.00 C ATOM 778 O GLY A 42 2.829 7.872 -6.666 1.00 0.00 O ATOM 0 H GLY A 42 4.189 10.350 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.186 7.902 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.443 8.114 -8.659 1.00 0.00 H new ATOM 782 N SER A 43 1.251 7.602 -8.240 1.00 0.00 N ATOM 783 CA SER A 43 0.221 7.209 -7.294 1.00 0.00 C ATOM 784 C SER A 43 -0.576 6.013 -7.808 1.00 0.00 C ATOM 785 O SER A 43 -0.616 5.745 -9.011 1.00 0.00 O ATOM 786 CB SER A 43 -0.706 8.395 -7.021 1.00 0.00 C ATOM 787 OG SER A 43 -1.083 9.040 -8.228 1.00 0.00 O ATOM 0 H SER A 43 0.951 7.599 -9.215 1.00 0.00 H new ATOM 0 HA SER A 43 0.703 6.908 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.597 8.050 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.206 9.108 -6.366 1.00 0.00 H new ATOM 0 HG SER A 43 -1.676 9.793 -8.025 1.00 0.00 H new ATOM 793 N ILE A 44 -1.189 5.294 -6.882 1.00 0.00 N ATOM 794 CA ILE A 44 -2.004 4.137 -7.201 1.00 0.00 C ATOM 795 C ILE A 44 -3.470 4.422 -6.883 1.00 0.00 C ATOM 796 O ILE A 44 -3.812 4.787 -5.759 1.00 0.00 O ATOM 797 CB ILE A 44 -1.547 2.898 -6.395 1.00 0.00 C ATOM 798 CG1 ILE A 44 -0.106 2.520 -6.753 1.00 0.00 C ATOM 799 CG2 ILE A 44 -2.484 1.725 -6.637 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.450 1.391 -5.911 1.00 0.00 C ATOM 0 H ILE A 44 -1.134 5.499 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.889 3.931 -8.265 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.581 3.150 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.065 2.233 -7.804 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.531 3.397 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.145 0.864 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.493 1.995 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.486 1.474 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.473 1.177 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.441 1.682 -4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.163 0.500 -6.046 1.00 0.00 H new ATOM 812 N LYS A 45 -4.326 4.262 -7.872 1.00 0.00 N ATOM 813 CA LYS A 45 -5.753 4.450 -7.684 1.00 0.00 C ATOM 814 C LYS A 45 -6.361 3.217 -7.029 1.00 0.00 C ATOM 815 O LYS A 45 -6.384 2.140 -7.619 1.00 0.00 O ATOM 816 CB LYS A 45 -6.434 4.728 -9.030 1.00 0.00 C ATOM 817 CG LYS A 45 -7.925 4.441 -9.022 1.00 0.00 C ATOM 818 CD LYS A 45 -8.564 4.688 -10.377 1.00 0.00 C ATOM 819 CE LYS A 45 -8.506 6.149 -10.761 1.00 0.00 C ATOM 820 NZ LYS A 45 -9.132 6.400 -12.087 1.00 0.00 N ATOM 0 H LYS A 45 -4.057 4.001 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.911 5.308 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.274 5.772 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.959 4.122 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.092 3.405 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.410 5.068 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.055 4.092 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.602 4.358 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.013 6.744 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.467 6.478 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.072 7.413 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.632 5.852 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.130 6.110 -12.060 1.00 0.00 H new ATOM 834 N MET A 46 -6.858 3.384 -5.809 1.00 0.00 N ATOM 835 CA MET A 46 -7.454 2.277 -5.073 1.00 0.00 C ATOM 836 C MET A 46 -8.686 1.736 -5.789 1.00 0.00 C ATOM 837 O MET A 46 -8.964 0.554 -5.729 1.00 0.00 O ATOM 838 CB MET A 46 -7.837 2.694 -3.652 1.00 0.00 C ATOM 839 CG MET A 46 -6.655 2.926 -2.717 1.00 0.00 C ATOM 840 SD MET A 46 -6.857 2.071 -1.148 1.00 0.00 S ATOM 841 CE MET A 46 -6.836 0.373 -1.720 1.00 0.00 C ATOM 0 H MET A 46 -6.860 4.274 -5.310 1.00 0.00 H new ATOM 0 HA MET A 46 -6.701 1.491 -5.020 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.428 3.609 -3.703 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.478 1.924 -3.222 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.739 2.586 -3.200 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.541 3.995 -2.535 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.458 -0.273 -0.928 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.847 0.066 -1.987 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.190 0.291 -2.594 1.00 0.00 H new ATOM 851 N ALA A 47 -9.408 2.601 -6.488 1.00 0.00 N ATOM 852 CA ALA A 47 -10.649 2.196 -7.144 1.00 0.00 C ATOM 853 C ALA A 47 -10.398 1.287 -8.351 1.00 0.00 C ATOM 854 O ALA A 47 -11.333 0.725 -8.916 1.00 0.00 O ATOM 855 CB ALA A 47 -11.447 3.419 -7.558 1.00 0.00 C ATOM 0 H ALA A 47 -9.160 3.582 -6.617 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.225 1.618 -6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.369 3.104 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.687 4.012 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.858 4.021 -8.250 1.00 0.00 H new ATOM 861 N VAL A 48 -9.141 1.156 -8.751 1.00 0.00 N ATOM 862 CA VAL A 48 -8.785 0.291 -9.870 1.00 0.00 C ATOM 863 C VAL A 48 -7.730 -0.722 -9.429 1.00 0.00 C ATOM 864 O VAL A 48 -7.249 -1.540 -10.213 1.00 0.00 O ATOM 865 CB VAL A 48 -8.261 1.120 -11.067 1.00 0.00 C ATOM 866 CG1 VAL A 48 -6.866 1.659 -10.791 1.00 0.00 C ATOM 867 CG2 VAL A 48 -8.280 0.313 -12.355 1.00 0.00 C ATOM 0 H VAL A 48 -8.351 1.636 -8.319 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.681 -0.240 -10.192 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.935 1.967 -11.195 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.523 2.237 -11.649 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.891 2.299 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.183 0.828 -10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.906 0.927 -13.174 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.647 -0.567 -12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.301 0.000 -12.573 1.00 0.00 H new ATOM 877 N CYS A 49 -7.393 -0.663 -8.152 1.00 0.00 N ATOM 878 CA CYS A 49 -6.363 -1.511 -7.586 1.00 0.00 C ATOM 879 C CYS A 49 -6.878 -2.205 -6.340 1.00 0.00 C ATOM 880 O CYS A 49 -7.368 -1.559 -5.415 1.00 0.00 O ATOM 881 CB CYS A 49 -5.130 -0.674 -7.239 1.00 0.00 C ATOM 882 SG CYS A 49 -3.843 -1.571 -6.341 1.00 0.00 S ATOM 0 H CYS A 49 -7.825 -0.027 -7.482 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.089 -2.266 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.704 -0.279 -8.161 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.444 0.181 -6.641 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.373 -2.195 -5.331 1.00 0.00 H new ATOM 888 N GLU A 50 -6.732 -3.513 -6.293 1.00 0.00 N ATOM 889 CA GLU A 50 -7.185 -4.260 -5.140 1.00 0.00 C ATOM 890 C GLU A 50 -6.100 -4.297 -4.087 1.00 0.00 C ATOM 891 O GLU A 50 -4.916 -4.445 -4.397 1.00 0.00 O ATOM 892 CB GLU A 50 -7.545 -5.704 -5.498 1.00 0.00 C ATOM 893 CG GLU A 50 -8.816 -5.880 -6.310 1.00 0.00 C ATOM 894 CD GLU A 50 -9.098 -7.350 -6.571 1.00 0.00 C ATOM 895 OE1 GLU A 50 -8.376 -7.962 -7.389 1.00 0.00 O ATOM 896 OE2 GLU A 50 -10.008 -7.916 -5.936 1.00 0.00 O ATOM 0 H GLU A 50 -6.308 -4.075 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.075 -3.755 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.716 -6.139 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.643 -6.275 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.656 -5.434 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.722 -5.350 -7.258 1.00 0.00 H new ATOM 903 N ILE A 51 -6.518 -4.139 -2.852 1.00 0.00 N ATOM 904 CA ILE A 51 -5.671 -4.424 -1.717 1.00 0.00 C ATOM 905 C ILE A 51 -6.050 -5.807 -1.223 1.00 0.00 C ATOM 906 O ILE A 51 -7.187 -6.043 -0.806 1.00 0.00 O ATOM 907 CB ILE A 51 -5.829 -3.362 -0.596 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.242 -3.849 0.739 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.289 -2.980 -0.419 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.736 -3.992 0.744 1.00 0.00 C ATOM 0 H ILE A 51 -7.452 -3.810 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.622 -4.390 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.268 -2.480 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.531 -3.152 1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.687 -4.812 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.377 -2.235 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.673 -2.567 -1.352 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.866 -3.864 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.407 -4.340 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.436 -4.713 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.278 -3.026 0.529 1.00 0.00 H new ATOM 922 N LYS A 52 -5.116 -6.732 -1.296 1.00 0.00 N ATOM 923 CA LYS A 52 -5.456 -8.120 -1.071 1.00 0.00 C ATOM 924 C LYS A 52 -5.478 -8.413 0.414 1.00 0.00 C ATOM 925 O LYS A 52 -4.439 -8.495 1.069 1.00 0.00 O ATOM 926 CB LYS A 52 -4.466 -9.047 -1.780 1.00 0.00 C ATOM 927 CG LYS A 52 -4.371 -8.841 -3.289 1.00 0.00 C ATOM 928 CD LYS A 52 -5.723 -8.967 -3.976 1.00 0.00 C ATOM 929 CE LYS A 52 -5.602 -9.685 -5.312 1.00 0.00 C ATOM 930 NZ LYS A 52 -6.906 -9.773 -6.026 1.00 0.00 N ATOM 0 H LYS A 52 -4.134 -6.553 -1.505 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.448 -8.303 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.477 -8.903 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.753 -10.080 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.953 -7.855 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.682 -9.573 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.412 -9.511 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.148 -7.975 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.881 -9.161 -5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.211 -10.689 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.945 -10.659 -6.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.682 -9.757 -5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.003 -8.965 -6.673 1.00 0.00 H new ATOM 944 N VAL A 53 -6.688 -8.567 0.927 1.00 0.00 N ATOM 945 CA VAL A 53 -6.904 -8.841 2.330 1.00 0.00 C ATOM 946 C VAL A 53 -7.998 -9.889 2.492 1.00 0.00 C ATOM 947 O VAL A 53 -9.175 -9.619 2.247 1.00 0.00 O ATOM 948 CB VAL A 53 -7.291 -7.549 3.103 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.680 -7.867 4.542 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.145 -6.544 3.081 1.00 0.00 C ATOM 0 H VAL A 53 -7.546 -8.505 0.378 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.972 -9.220 2.748 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.154 -7.109 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.946 -6.945 5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.533 -8.545 4.547 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.839 -8.339 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.437 -5.647 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.265 -6.985 3.550 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.912 -6.280 2.049 1.00 0.00 H new ATOM 960 N HIS A 54 -7.596 -11.094 2.860 1.00 0.00 N ATOM 961 CA HIS A 54 -8.544 -12.151 3.191 1.00 0.00 C ATOM 962 C HIS A 54 -8.248 -12.682 4.588 1.00 0.00 C ATOM 963 O HIS A 54 -8.772 -12.173 5.577 1.00 0.00 O ATOM 964 CB HIS A 54 -8.503 -13.303 2.173 1.00 0.00 C ATOM 965 CG HIS A 54 -9.228 -13.040 0.887 1.00 0.00 C ATOM 966 ND1 HIS A 54 -10.552 -13.362 0.691 1.00 0.00 N ATOM 967 CD2 HIS A 54 -8.795 -12.521 -0.284 1.00 0.00 C ATOM 968 CE1 HIS A 54 -10.901 -13.054 -0.543 1.00 0.00 C ATOM 969 NE2 HIS A 54 -9.852 -12.543 -1.162 1.00 0.00 N ATOM 0 H HIS A 54 -6.617 -11.368 2.938 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.546 -11.723 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.461 -13.529 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.929 -14.193 2.637 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -11.168 -13.775 1.392 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.800 -12.156 -0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.881 -13.196 -0.975 1.00 0.00 H new ATOM 978 N SER A 55 -7.389 -13.685 4.669 1.00 0.00 N ATOM 979 CA SER A 55 -6.966 -14.225 5.953 1.00 0.00 C ATOM 980 C SER A 55 -5.513 -13.839 6.223 1.00 0.00 C ATOM 981 O SER A 55 -4.710 -14.646 6.693 1.00 0.00 O ATOM 982 CB SER A 55 -7.132 -15.745 5.960 1.00 0.00 C ATOM 983 OG SER A 55 -8.445 -16.112 5.565 1.00 0.00 O ATOM 0 H SER A 55 -6.970 -14.143 3.860 1.00 0.00 H new ATOM 0 HA SER A 55 -7.589 -13.807 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.405 -16.198 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.926 -16.133 6.958 1.00 0.00 H new ATOM 0 HG SER A 55 -8.529 -17.088 5.575 1.00 0.00 H new ATOM 989 N ALA A 56 -5.185 -12.595 5.909 1.00 0.00 N ATOM 990 CA ALA A 56 -3.828 -12.094 6.065 1.00 0.00 C ATOM 991 C ALA A 56 -3.726 -11.222 7.308 1.00 0.00 C ATOM 992 O ALA A 56 -3.757 -9.993 7.225 1.00 0.00 O ATOM 993 CB ALA A 56 -3.413 -11.309 4.827 1.00 0.00 C ATOM 0 H ALA A 56 -5.845 -11.910 5.542 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.152 -12.941 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.396 -10.939 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.455 -11.959 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.091 -10.467 4.686 1.00 0.00 H new ATOM 999 N ASP A 57 -3.607 -11.858 8.463 1.00 0.00 N ATOM 1000 CA ASP A 57 -3.575 -11.134 9.727 1.00 0.00 C ATOM 1001 C ASP A 57 -2.167 -11.060 10.298 1.00 0.00 C ATOM 1002 O ASP A 57 -1.966 -11.210 11.502 1.00 0.00 O ATOM 1003 CB ASP A 57 -4.533 -11.767 10.743 1.00 0.00 C ATOM 1004 CG ASP A 57 -5.987 -11.538 10.381 1.00 0.00 C ATOM 1005 OD1 ASP A 57 -6.495 -10.419 10.624 1.00 0.00 O ATOM 1006 OD2 ASP A 57 -6.619 -12.463 9.837 1.00 0.00 O ATOM 0 H ASP A 57 -3.531 -12.871 8.553 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.905 -10.115 9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.340 -12.838 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.337 -11.352 11.732 1.00 0.00 H new ATOM 1011 N ASN A 58 -1.190 -10.814 9.431 1.00 0.00 N ATOM 1012 CA ASN A 58 0.197 -10.676 9.870 1.00 0.00 C ATOM 1013 C ASN A 58 1.058 -9.988 8.814 1.00 0.00 C ATOM 1014 O ASN A 58 1.633 -10.638 7.951 1.00 0.00 O ATOM 1015 CB ASN A 58 0.789 -12.043 10.235 1.00 0.00 C ATOM 1016 CG ASN A 58 2.272 -11.982 10.570 1.00 0.00 C ATOM 1017 OD1 ASN A 58 3.130 -12.136 9.698 1.00 0.00 O ATOM 1018 ND2 ASN A 58 2.585 -11.767 11.836 1.00 0.00 N ATOM 0 H ASN A 58 -1.330 -10.706 8.426 1.00 0.00 H new ATOM 0 HA ASN A 58 0.196 -10.045 10.759 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.247 -12.451 11.088 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.639 -12.731 9.403 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.564 -11.724 12.119 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.848 -11.644 12.530 1.00 0.00 H new ATOM 1025 N THR A 59 1.082 -8.657 8.886 1.00 0.00 N ATOM 1026 CA THR A 59 2.011 -7.779 8.139 1.00 0.00 C ATOM 1027 C THR A 59 1.817 -7.753 6.613 1.00 0.00 C ATOM 1028 O THR A 59 1.957 -6.700 6.003 1.00 0.00 O ATOM 1029 CB THR A 59 3.504 -8.097 8.420 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.894 -9.326 7.796 1.00 0.00 O ATOM 1031 CG2 THR A 59 3.783 -8.201 9.904 1.00 0.00 C ATOM 0 H THR A 59 0.439 -8.135 9.481 1.00 0.00 H new ATOM 0 HA THR A 59 1.748 -6.794 8.525 1.00 0.00 H new ATOM 0 HB THR A 59 4.082 -7.272 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.094 -9.835 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.838 -8.424 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.536 -7.256 10.388 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.176 -8.998 10.333 1.00 0.00 H new ATOM 1039 N ARG A 60 1.521 -8.891 6.003 1.00 0.00 N ATOM 1040 CA ARG A 60 1.561 -9.014 4.543 1.00 0.00 C ATOM 1041 C ARG A 60 0.240 -8.658 3.862 1.00 0.00 C ATOM 1042 O ARG A 60 -0.826 -9.161 4.225 1.00 0.00 O ATOM 1043 CB ARG A 60 2.015 -10.427 4.149 1.00 0.00 C ATOM 1044 CG ARG A 60 1.570 -11.514 5.119 1.00 0.00 C ATOM 1045 CD ARG A 60 0.145 -11.985 4.867 1.00 0.00 C ATOM 1046 NE ARG A 60 0.026 -12.760 3.635 1.00 0.00 N ATOM 1047 CZ ARG A 60 -0.543 -13.963 3.569 1.00 0.00 C ATOM 1048 NH1 ARG A 60 -1.009 -14.542 4.670 1.00 0.00 N ATOM 1049 NH2 ARG A 60 -0.623 -14.602 2.411 1.00 0.00 N ATOM 0 H ARG A 60 1.250 -9.745 6.491 1.00 0.00 H new ATOM 0 HA ARG A 60 2.285 -8.281 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.627 -10.659 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.103 -10.441 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.248 -12.364 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.648 -11.138 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.189 -12.592 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.517 -11.121 4.815 1.00 0.00 H new ATOM 0 HE ARG A 60 0.400 -12.357 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.932 -14.066 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.444 -15.463 4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.248 -14.173 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.060 -15.523 2.366 1.00 0.00 H new ATOM 1063 N MET A 61 0.341 -7.762 2.879 1.00 0.00 N ATOM 1064 CA MET A 61 -0.777 -7.366 2.027 1.00 0.00 C ATOM 1065 C MET A 61 -0.269 -7.189 0.592 1.00 0.00 C ATOM 1066 O MET A 61 0.927 -7.006 0.380 1.00 0.00 O ATOM 1067 CB MET A 61 -1.407 -6.052 2.517 1.00 0.00 C ATOM 1068 CG MET A 61 -1.625 -6.004 4.016 1.00 0.00 C ATOM 1069 SD MET A 61 -0.273 -5.211 4.909 1.00 0.00 S ATOM 1070 CE MET A 61 -0.606 -3.486 4.586 1.00 0.00 C ATOM 0 H MET A 61 1.214 -7.286 2.651 1.00 0.00 H new ATOM 0 HA MET A 61 -1.541 -8.143 2.065 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.765 -5.221 2.225 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.364 -5.908 2.015 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.552 -5.469 4.224 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.752 -7.020 4.390 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.060 -2.868 5.188 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.441 -3.275 3.529 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.641 -3.261 4.843 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.148 -7.274 -0.394 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.736 -7.062 -1.782 1.00 0.00 C ATOM 1082 C GLU A 62 -1.551 -5.949 -2.432 1.00 0.00 C ATOM 1083 O GLU A 62 -2.746 -5.823 -2.182 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.878 -8.353 -2.597 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.684 -8.149 -4.096 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.665 -9.449 -4.874 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.747 -9.907 -5.303 1.00 0.00 O ATOM 1088 OE2 GLU A 62 0.431 -10.009 -5.074 1.00 0.00 O ATOM 0 H GLU A 62 -2.138 -7.485 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 62 0.313 -6.765 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.150 -9.081 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.866 -8.778 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.485 -7.516 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.252 -7.617 -4.266 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.893 -5.134 -3.248 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.581 -4.127 -4.046 1.00 0.00 C ATOM 1097 C LEU A 63 -1.482 -4.506 -5.519 1.00 0.00 C ATOM 1098 O LEU A 63 -0.386 -4.617 -6.074 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.968 -2.735 -3.820 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.497 -1.942 -2.619 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.920 -1.464 -2.872 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.426 -2.765 -1.339 1.00 0.00 C ATOM 0 H LEU A 63 0.119 -5.151 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.627 -4.089 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.110 -2.851 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.130 -2.141 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.858 -1.068 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.275 -0.904 -2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.937 -0.821 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.569 -2.324 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.808 -2.175 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.028 -3.666 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.391 -3.043 -1.142 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.624 -4.692 -6.154 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.652 -5.133 -7.536 1.00 0.00 C ATOM 1116 C ILE A 64 -3.452 -4.174 -8.415 1.00 0.00 C ATOM 1117 O ILE A 64 -4.658 -4.003 -8.245 1.00 0.00 O ATOM 1118 CB ILE A 64 -3.207 -6.580 -7.637 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.651 -6.926 -9.068 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -4.346 -6.798 -6.652 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.521 -6.952 -10.072 1.00 0.00 C ATOM 0 H ILE A 64 -3.543 -4.545 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.627 -5.133 -7.907 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.392 -7.255 -7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.139 -7.900 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.395 -6.199 -9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.716 -7.819 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.986 -6.633 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.153 -6.099 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.915 -7.203 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.046 -5.972 -10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.786 -7.700 -9.773 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.748 -3.555 -9.353 1.00 0.00 N ATOM 1134 CA ILE A 65 -3.332 -2.646 -10.317 1.00 0.00 C ATOM 1135 C ILE A 65 -2.899 -3.075 -11.719 1.00 0.00 C ATOM 1136 O ILE A 65 -1.714 -3.024 -12.052 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.913 -1.178 -10.009 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.941 -0.291 -11.257 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -1.530 -1.134 -9.372 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -4.288 -0.195 -11.935 1.00 0.00 C ATOM 0 H ILE A 65 -1.741 -3.675 -9.463 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.420 -2.685 -10.256 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.646 -0.783 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.617 0.712 -10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.215 -0.674 -11.974 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.257 -0.099 -9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.540 -1.700 -8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.801 -1.572 -10.054 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.211 0.453 -12.808 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.609 -1.188 -12.248 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.017 0.219 -11.239 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.859 -3.521 -12.545 1.00 0.00 N ATOM 1153 CA PRO A 66 -3.575 -4.119 -13.855 1.00 0.00 C ATOM 1154 C PRO A 66 -2.716 -3.225 -14.743 1.00 0.00 C ATOM 1155 O PRO A 66 -3.128 -2.131 -15.139 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.959 -4.302 -14.476 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.890 -4.370 -13.316 1.00 0.00 C ATOM 1158 CD PRO A 66 -5.309 -3.454 -12.278 1.00 0.00 C ATOM 0 HA PRO A 66 -3.008 -5.044 -13.753 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.209 -3.472 -15.136 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.007 -5.211 -15.075 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.894 -4.054 -13.600 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.972 -5.389 -12.938 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.691 -2.438 -12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.549 -3.786 -11.268 1.00 0.00 H new ATOM 1166 N GLY A 67 -1.518 -3.698 -15.040 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.610 -2.961 -15.890 1.00 0.00 C ATOM 1168 C GLY A 67 0.638 -2.545 -15.146 1.00 0.00 C ATOM 1169 O GLY A 67 1.754 -2.867 -15.554 1.00 0.00 O ATOM 0 H GLY A 67 -1.155 -4.590 -14.703 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.335 -3.575 -16.748 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.113 -2.076 -16.280 1.00 0.00 H new ATOM 1173 N GLU A 68 0.450 -1.849 -14.039 1.00 0.00 N ATOM 1174 CA GLU A 68 1.573 -1.406 -13.229 1.00 0.00 C ATOM 1175 C GLU A 68 1.912 -2.489 -12.217 1.00 0.00 C ATOM 1176 O GLU A 68 2.927 -3.172 -12.363 1.00 0.00 O ATOM 1177 CB GLU A 68 1.251 -0.079 -12.537 1.00 0.00 C ATOM 1178 CG GLU A 68 0.803 1.004 -13.505 1.00 0.00 C ATOM 1179 CD GLU A 68 0.743 2.378 -12.871 1.00 0.00 C ATOM 1180 OE1 GLU A 68 0.031 2.546 -11.866 1.00 0.00 O ATOM 1181 OE2 GLU A 68 1.422 3.299 -13.377 1.00 0.00 O ATOM 0 H GLU A 68 -0.466 -1.579 -13.680 1.00 0.00 H new ATOM 0 HA GLU A 68 2.439 -1.235 -13.868 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.468 -0.243 -11.796 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.133 0.266 -11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.487 1.031 -14.353 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.181 0.748 -13.898 1.00 0.00 H new ATOM 1188 N GLN A 69 1.036 -2.641 -11.219 1.00 0.00 N ATOM 1189 CA GLN A 69 1.056 -3.759 -10.258 1.00 0.00 C ATOM 1190 C GLN A 69 2.462 -4.101 -9.741 1.00 0.00 C ATOM 1191 O GLN A 69 3.357 -3.253 -9.730 1.00 0.00 O ATOM 1192 CB GLN A 69 0.373 -4.994 -10.882 1.00 0.00 C ATOM 1193 CG GLN A 69 1.079 -5.574 -12.100 1.00 0.00 C ATOM 1194 CD GLN A 69 0.170 -6.432 -12.956 1.00 0.00 C ATOM 1195 OE1 GLN A 69 -1.033 -6.189 -13.043 1.00 0.00 O ATOM 1196 NE2 GLN A 69 0.739 -7.437 -13.596 1.00 0.00 N ATOM 0 H GLN A 69 0.277 -1.981 -11.049 1.00 0.00 H new ATOM 0 HA GLN A 69 0.496 -3.436 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.296 -5.771 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.644 -4.723 -11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.477 -4.759 -12.705 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.929 -6.171 -11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.740 -7.604 -13.496 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.177 -8.047 -14.190 1.00 0.00 H new ATOM 1205 N HIS A 70 2.623 -5.339 -9.260 1.00 0.00 N ATOM 1206 CA HIS A 70 3.897 -5.817 -8.722 1.00 0.00 C ATOM 1207 C HIS A 70 4.250 -5.043 -7.451 1.00 0.00 C ATOM 1208 O HIS A 70 5.423 -4.844 -7.122 1.00 0.00 O ATOM 1209 CB HIS A 70 5.009 -5.696 -9.779 1.00 0.00 C ATOM 1210 CG HIS A 70 6.299 -6.370 -9.406 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.485 -5.686 -9.251 1.00 0.00 N ATOM 1212 CD2 HIS A 70 6.589 -7.675 -9.183 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.446 -6.541 -8.949 1.00 0.00 C ATOM 1214 NE2 HIS A 70 7.930 -7.754 -8.901 1.00 0.00 N ATOM 0 H HIS A 70 1.876 -6.033 -9.234 1.00 0.00 H new ATOM 0 HA HIS A 70 3.801 -6.872 -8.463 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.650 -6.121 -10.716 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.205 -4.640 -9.962 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.893 -8.500 -9.220 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.481 -6.289 -8.771 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.443 -8.610 -8.689 1.00 0.00 H new ATOM 1223 N PHE A 71 3.220 -4.608 -6.740 1.00 0.00 N ATOM 1224 CA PHE A 71 3.407 -3.904 -5.485 1.00 0.00 C ATOM 1225 C PHE A 71 3.062 -4.823 -4.326 1.00 0.00 C ATOM 1226 O PHE A 71 1.903 -5.191 -4.133 1.00 0.00 O ATOM 1227 CB PHE A 71 2.539 -2.643 -5.421 1.00 0.00 C ATOM 1228 CG PHE A 71 2.937 -1.579 -6.402 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.073 -0.816 -6.188 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.175 -1.339 -7.535 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.441 0.168 -7.084 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.539 -0.357 -8.436 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.674 0.398 -8.210 1.00 0.00 C ATOM 0 H PHE A 71 2.245 -4.732 -7.014 1.00 0.00 H new ATOM 0 HA PHE A 71 4.452 -3.601 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.500 -2.920 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.588 -2.231 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.678 -0.993 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.287 -1.926 -7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.328 0.758 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.938 -0.180 -9.315 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.961 1.167 -8.912 1.00 0.00 H new ATOM 1243 N TYR A 72 4.067 -5.198 -3.562 1.00 0.00 N ATOM 1244 CA TYR A 72 3.850 -6.051 -2.414 1.00 0.00 C ATOM 1245 C TYR A 72 4.001 -5.223 -1.152 1.00 0.00 C ATOM 1246 O TYR A 72 4.861 -4.347 -1.079 1.00 0.00 O ATOM 1247 CB TYR A 72 4.828 -7.230 -2.419 1.00 0.00 C ATOM 1248 CG TYR A 72 4.248 -8.492 -1.820 1.00 0.00 C ATOM 1249 CD1 TYR A 72 2.974 -8.915 -2.170 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.966 -9.258 -0.912 1.00 0.00 C ATOM 1251 CE1 TYR A 72 2.428 -10.064 -1.634 1.00 0.00 C ATOM 1252 CE2 TYR A 72 4.428 -10.411 -0.370 1.00 0.00 C ATOM 1253 CZ TYR A 72 3.159 -10.810 -0.736 1.00 0.00 C ATOM 1254 OH TYR A 72 2.618 -11.959 -0.201 1.00 0.00 O ATOM 0 H TYR A 72 5.038 -4.926 -3.715 1.00 0.00 H new ATOM 0 HA TYR A 72 2.843 -6.466 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.137 -7.432 -3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.724 -6.952 -1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.398 -8.334 -2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.960 -8.949 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.434 -10.376 -1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.998 -10.996 0.336 1.00 0.00 H new ATOM 0 HH TYR A 72 3.262 -12.368 0.414 1.00 0.00 H new ATOM 1264 N MET A 73 3.163 -5.493 -0.170 1.00 0.00 N ATOM 1265 CA MET A 73 3.122 -4.690 1.035 1.00 0.00 C ATOM 1266 C MET A 73 3.405 -5.557 2.252 1.00 0.00 C ATOM 1267 O MET A 73 2.891 -6.670 2.368 1.00 0.00 O ATOM 1268 CB MET A 73 1.729 -4.075 1.191 1.00 0.00 C ATOM 1269 CG MET A 73 1.703 -2.585 1.494 1.00 0.00 C ATOM 1270 SD MET A 73 1.888 -1.554 0.026 1.00 0.00 S ATOM 1271 CE MET A 73 1.446 0.053 0.692 1.00 0.00 C ATOM 0 H MET A 73 2.498 -6.267 -0.184 1.00 0.00 H new ATOM 0 HA MET A 73 3.876 -3.907 0.959 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.168 -4.252 0.273 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.206 -4.600 1.990 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.763 -2.338 1.987 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.502 -2.350 2.197 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.843 0.595 -0.036 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.875 -0.079 1.611 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.352 0.620 0.906 1.00 0.00 H new ATOM 1281 N LYS A 74 4.213 -5.050 3.155 1.00 0.00 N ATOM 1282 CA LYS A 74 4.378 -5.674 4.454 1.00 0.00 C ATOM 1283 C LYS A 74 4.658 -4.604 5.487 1.00 0.00 C ATOM 1284 O LYS A 74 5.618 -3.841 5.366 1.00 0.00 O ATOM 1285 CB LYS A 74 5.495 -6.724 4.453 1.00 0.00 C ATOM 1286 CG LYS A 74 5.752 -7.319 5.829 1.00 0.00 C ATOM 1287 CD LYS A 74 6.944 -8.255 5.838 1.00 0.00 C ATOM 1288 CE LYS A 74 7.205 -8.786 7.239 1.00 0.00 C ATOM 1289 NZ LYS A 74 8.401 -9.658 7.288 1.00 0.00 N ATOM 0 H LYS A 74 4.768 -4.206 3.016 1.00 0.00 H new ATOM 0 HA LYS A 74 3.454 -6.197 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.234 -7.524 3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.414 -6.269 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.920 -6.514 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.865 -7.860 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.764 -9.087 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.827 -7.730 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.338 -7.949 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.335 -9.345 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.543 -9.998 8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.264 -10.470 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.237 -9.118 6.985 1.00 0.00 H new ATOM 1303 N ALA A 75 3.788 -4.535 6.476 1.00 0.00 N ATOM 1304 CA ALA A 75 3.906 -3.563 7.543 1.00 0.00 C ATOM 1305 C ALA A 75 4.924 -4.004 8.585 1.00 0.00 C ATOM 1306 O ALA A 75 5.469 -5.105 8.497 1.00 0.00 O ATOM 1307 CB ALA A 75 2.552 -3.358 8.186 1.00 0.00 C ATOM 0 H ALA A 75 2.980 -5.152 6.561 1.00 0.00 H new ATOM 0 HA ALA A 75 4.257 -2.622 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.638 -2.627 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.846 -2.995 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.195 -4.304 8.593 1.00 0.00 H new ATOM 1313 N VAL A 76 5.166 -3.146 9.569 1.00 0.00 N ATOM 1314 CA VAL A 76 6.105 -3.447 10.645 1.00 0.00 C ATOM 1315 C VAL A 76 5.724 -4.749 11.343 1.00 0.00 C ATOM 1316 O VAL A 76 6.530 -5.675 11.445 1.00 0.00 O ATOM 1317 CB VAL A 76 6.146 -2.299 11.677 1.00 0.00 C ATOM 1318 CG1 VAL A 76 7.108 -2.618 12.811 1.00 0.00 C ATOM 1319 CG2 VAL A 76 6.522 -0.988 11.001 1.00 0.00 C ATOM 0 H VAL A 76 4.722 -2.231 9.645 1.00 0.00 H new ATOM 0 HA VAL A 76 7.095 -3.557 10.201 1.00 0.00 H new ATOM 0 HB VAL A 76 5.150 -2.192 12.105 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.117 -1.793 13.523 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.786 -3.529 13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.111 -2.761 12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.546 -0.190 11.743 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.505 -1.085 10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.784 -0.749 10.235 1.00 0.00 H new ATOM 1329 N ASN A 77 4.486 -4.814 11.807 1.00 0.00 N ATOM 1330 CA ASN A 77 3.963 -6.020 12.428 1.00 0.00 C ATOM 1331 C ASN A 77 2.491 -6.205 12.069 1.00 0.00 C ATOM 1332 O ASN A 77 1.921 -5.381 11.351 1.00 0.00 O ATOM 1333 CB ASN A 77 4.173 -5.991 13.953 1.00 0.00 C ATOM 1334 CG ASN A 77 3.519 -4.807 14.644 1.00 0.00 C ATOM 1335 OD1 ASN A 77 2.476 -4.316 14.222 1.00 0.00 O ATOM 1336 ND2 ASN A 77 4.135 -4.343 15.720 1.00 0.00 N ATOM 0 H ASN A 77 3.822 -4.041 11.765 1.00 0.00 H new ATOM 0 HA ASN A 77 4.515 -6.877 12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.778 -6.912 14.381 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.243 -5.975 14.162 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.744 -3.550 16.229 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.000 -4.778 16.040 1.00 0.00 H new ATOM 1343 N ALA A 78 1.889 -7.293 12.535 1.00 0.00 N ATOM 1344 CA ALA A 78 0.493 -7.596 12.219 1.00 0.00 C ATOM 1345 C ALA A 78 -0.425 -6.428 12.589 1.00 0.00 C ATOM 1346 O ALA A 78 -1.367 -6.108 11.858 1.00 0.00 O ATOM 1347 CB ALA A 78 0.056 -8.856 12.949 1.00 0.00 C ATOM 0 H ALA A 78 2.344 -7.982 13.134 1.00 0.00 H new ATOM 0 HA ALA A 78 0.416 -7.758 11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.984 -9.074 12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.683 -9.692 12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.156 -8.707 14.024 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.138 -5.793 13.720 1.00 0.00 N ATOM 1354 CA ALA A 79 -0.896 -4.634 14.177 1.00 0.00 C ATOM 1355 C ALA A 79 -0.771 -3.455 13.210 1.00 0.00 C ATOM 1356 O ALA A 79 -1.765 -2.817 12.866 1.00 0.00 O ATOM 1357 CB ALA A 79 -0.421 -4.231 15.553 1.00 0.00 C ATOM 0 H ALA A 79 0.622 -6.065 14.343 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.949 -4.913 14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.988 -3.365 15.894 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.571 -5.059 16.246 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.639 -3.978 15.513 1.00 0.00 H new ATOM 1363 N GLU A 80 0.457 -3.175 12.780 1.00 0.00 N ATOM 1364 CA GLU A 80 0.724 -2.114 11.809 1.00 0.00 C ATOM 1365 C GLU A 80 0.004 -2.400 10.503 1.00 0.00 C ATOM 1366 O GLU A 80 -0.492 -1.493 9.834 1.00 0.00 O ATOM 1367 CB GLU A 80 2.226 -1.992 11.566 1.00 0.00 C ATOM 1368 CG GLU A 80 2.974 -1.392 12.737 1.00 0.00 C ATOM 1369 CD GLU A 80 2.665 0.078 12.923 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.550 0.402 13.379 1.00 0.00 O ATOM 1371 OE2 GLU A 80 3.536 0.911 12.607 1.00 0.00 O ATOM 0 H GLU A 80 1.291 -3.673 13.092 1.00 0.00 H new ATOM 0 HA GLU A 80 0.354 -1.171 12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.634 -2.980 11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.395 -1.377 10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.715 -1.933 13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.046 -1.519 12.585 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.053 -3.680 10.156 1.00 0.00 N ATOM 1379 CA ARG A 81 -0.808 -4.130 8.996 1.00 0.00 C ATOM 1380 C ARG A 81 -2.264 -3.693 9.120 1.00 0.00 C ATOM 1381 O ARG A 81 -2.868 -3.248 8.151 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.724 -5.657 8.873 1.00 0.00 C ATOM 1383 CG ARG A 81 -1.724 -6.247 7.891 1.00 0.00 C ATOM 1384 CD ARG A 81 -2.407 -7.474 8.469 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.957 -7.213 9.800 1.00 0.00 N ATOM 1386 CZ ARG A 81 -4.097 -7.734 10.260 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -4.851 -8.502 9.482 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -4.490 -7.468 11.499 1.00 0.00 N ATOM 0 H ARG A 81 0.418 -4.428 10.666 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.380 -3.681 8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.284 -5.933 8.562 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.887 -6.101 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.473 -5.497 7.637 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.214 -6.514 6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.207 -7.793 7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.692 -8.295 8.525 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.434 -6.592 10.417 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.561 -8.698 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.720 -8.896 9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.922 -6.867 12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.360 -7.864 11.854 1.00 0.00 H new ATOM 1402 N GLN A 82 -2.803 -3.791 10.330 1.00 0.00 N ATOM 1403 CA GLN A 82 -4.200 -3.461 10.583 1.00 0.00 C ATOM 1404 C GLN A 82 -4.465 -1.976 10.342 1.00 0.00 C ATOM 1405 O GLN A 82 -5.543 -1.603 9.890 1.00 0.00 O ATOM 1406 CB GLN A 82 -4.573 -3.842 12.017 1.00 0.00 C ATOM 1407 CG GLN A 82 -6.025 -3.570 12.377 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.004 -4.326 11.500 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -6.709 -5.413 11.006 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -8.181 -3.759 11.307 1.00 0.00 N ATOM 0 H GLN A 82 -2.289 -4.098 11.156 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.819 -4.030 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.366 -4.902 12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.931 -3.293 12.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.193 -3.843 13.419 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.220 -2.501 12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.388 -2.856 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.883 -4.224 10.731 1.00 0.00 H new ATOM 1419 N ARG A 83 -3.479 -1.134 10.637 1.00 0.00 N ATOM 1420 CA ARG A 83 -3.617 0.300 10.406 1.00 0.00 C ATOM 1421 C ARG A 83 -3.777 0.589 8.914 1.00 0.00 C ATOM 1422 O ARG A 83 -4.644 1.370 8.504 1.00 0.00 O ATOM 1423 CB ARG A 83 -2.410 1.056 10.970 1.00 0.00 C ATOM 1424 CG ARG A 83 -2.404 1.156 12.490 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.210 1.952 12.993 1.00 0.00 C ATOM 1426 NE ARG A 83 -1.440 2.518 14.325 1.00 0.00 N ATOM 1427 CZ ARG A 83 -0.483 2.708 15.235 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.744 2.245 15.030 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -0.770 3.334 16.370 1.00 0.00 N ATOM 0 H ARG A 83 -2.583 -1.417 11.033 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.512 0.645 10.924 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.497 0.558 10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.393 2.061 10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.326 1.629 12.828 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.383 0.155 12.921 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.332 1.307 13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.991 2.757 12.291 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.393 2.784 14.572 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.961 1.739 14.171 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.469 2.395 15.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.718 3.667 16.543 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.042 3.482 17.069 1.00 0.00 H new ATOM 1443 N TRP A 84 -2.961 -0.072 8.101 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.077 0.046 6.657 1.00 0.00 C ATOM 1445 C TRP A 84 -4.365 -0.599 6.184 1.00 0.00 C ATOM 1446 O TRP A 84 -5.002 -0.121 5.257 1.00 0.00 O ATOM 1447 CB TRP A 84 -1.868 -0.571 5.953 1.00 0.00 C ATOM 1448 CG TRP A 84 -0.643 0.260 6.127 1.00 0.00 C ATOM 1449 CD1 TRP A 84 0.347 0.078 7.040 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.294 1.424 5.374 1.00 0.00 C ATOM 1451 NE1 TRP A 84 1.283 1.078 6.924 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.914 1.913 5.901 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -0.890 2.103 4.306 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.535 3.053 5.399 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.269 3.228 3.804 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.932 3.694 4.350 1.00 0.00 C ATOM 0 H TRP A 84 -2.216 -0.692 8.418 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.101 1.105 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.688 -1.571 6.348 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.084 -0.682 4.890 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.392 -0.733 7.752 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.116 1.182 7.504 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.820 1.753 3.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.459 3.419 5.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.717 3.758 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.393 4.578 3.935 1.00 0.00 H new ATOM 1467 N LEU A 85 -4.744 -1.679 6.846 1.00 0.00 N ATOM 1468 CA LEU A 85 -5.991 -2.370 6.558 1.00 0.00 C ATOM 1469 C LEU A 85 -7.205 -1.490 6.829 1.00 0.00 C ATOM 1470 O LEU A 85 -8.239 -1.658 6.201 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.084 -3.678 7.338 1.00 0.00 C ATOM 1472 CG LEU A 85 -5.723 -4.924 6.533 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.346 -4.781 5.906 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -5.778 -6.146 7.424 1.00 0.00 C ATOM 0 H LEU A 85 -4.198 -2.101 7.597 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.991 -2.604 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.425 -3.617 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.100 -3.788 7.718 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.448 -5.042 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.110 -5.680 5.337 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.337 -3.918 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.602 -4.642 6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.519 -7.032 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.070 -6.030 8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.785 -6.258 7.827 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.109 -0.592 7.794 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.187 0.353 8.031 1.00 0.00 C ATOM 1488 C VAL A 86 -8.374 1.274 6.824 1.00 0.00 C ATOM 1489 O VAL A 86 -9.482 1.397 6.295 1.00 0.00 O ATOM 1490 CB VAL A 86 -7.911 1.196 9.292 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -8.899 2.348 9.409 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -7.964 0.324 10.537 1.00 0.00 C ATOM 0 H VAL A 86 -6.308 -0.497 8.418 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.102 -0.218 8.185 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.910 1.617 9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.680 2.925 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.812 2.992 8.534 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.913 1.953 9.470 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.767 0.935 11.418 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.952 -0.128 10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.211 -0.461 10.464 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.288 1.893 6.368 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.367 2.826 5.244 1.00 0.00 C ATOM 1504 C ALA A 87 -7.587 2.104 3.911 1.00 0.00 C ATOM 1505 O ALA A 87 -8.475 2.454 3.140 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.107 3.678 5.181 1.00 0.00 C ATOM 0 H ALA A 87 -6.352 1.769 6.753 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.231 3.469 5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.177 4.369 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.003 4.243 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.238 3.033 5.050 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.768 1.096 3.652 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.846 0.323 2.414 1.00 0.00 C ATOM 1514 C LEU A 88 -8.052 -0.617 2.412 1.00 0.00 C ATOM 1515 O LEU A 88 -8.722 -0.791 1.396 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.563 -0.484 2.224 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.284 0.348 2.105 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.068 -0.505 2.418 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.156 0.950 0.713 1.00 0.00 C ATOM 0 H LEU A 88 -6.032 0.789 4.288 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.966 1.025 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.455 -1.169 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.666 -1.094 1.327 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.341 1.162 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.166 0.101 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.147 -0.892 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.017 -1.337 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.239 1.537 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.124 0.151 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.013 1.594 0.515 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.309 -1.227 3.560 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.340 -2.249 3.669 1.00 0.00 C ATOM 1533 C GLY A 89 -10.743 -1.700 3.542 1.00 0.00 C ATOM 1534 O GLY A 89 -11.646 -2.406 3.093 1.00 0.00 O ATOM 0 H GLY A 89 -7.816 -1.031 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.180 -3.000 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.241 -2.754 4.630 1.00 0.00 H new ATOM 1538 N SER A 90 -10.940 -0.457 3.956 1.00 0.00 N ATOM 1539 CA SER A 90 -12.224 0.196 3.777 1.00 0.00 C ATOM 1540 C SER A 90 -12.518 0.351 2.286 1.00 0.00 C ATOM 1541 O SER A 90 -13.672 0.318 1.863 1.00 0.00 O ATOM 1542 CB SER A 90 -12.230 1.548 4.498 1.00 0.00 C ATOM 1543 OG SER A 90 -11.116 2.331 4.124 1.00 0.00 O ATOM 0 H SER A 90 -10.231 0.115 4.415 1.00 0.00 H new ATOM 0 HA SER A 90 -13.013 -0.416 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.150 2.084 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.220 1.388 5.576 1.00 0.00 H new ATOM 0 HG SER A 90 -10.382 2.177 4.755 1.00 0.00 H new ATOM 1549 N SER A 91 -11.457 0.502 1.499 1.00 0.00 N ATOM 1550 CA SER A 91 -11.568 0.522 0.049 1.00 0.00 C ATOM 1551 C SER A 91 -11.933 -0.867 -0.487 1.00 0.00 C ATOM 1552 O SER A 91 -12.702 -0.989 -1.436 1.00 0.00 O ATOM 1553 CB SER A 91 -10.256 1.012 -0.570 1.00 0.00 C ATOM 1554 OG SER A 91 -9.926 2.310 -0.102 1.00 0.00 O ATOM 0 H SER A 91 -10.505 0.613 1.847 1.00 0.00 H new ATOM 0 HA SER A 91 -12.366 1.210 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.452 0.318 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.345 1.025 -1.656 1.00 0.00 H new ATOM 0 HG SER A 91 -8.986 2.502 -0.304 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.376 -1.914 0.132 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.664 -3.284 -0.235 1.00 0.00 C ATOM 1562 C LYS A 92 -13.152 -3.622 -0.098 1.00 0.00 C ATOM 1563 O LYS A 92 -13.627 -4.599 -0.682 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.859 -4.206 0.663 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.633 -5.571 0.067 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.007 -6.532 1.067 1.00 0.00 C ATOM 1567 CE LYS A 92 -10.889 -6.734 2.297 1.00 0.00 C ATOM 1568 NZ LYS A 92 -12.211 -7.336 1.961 1.00 0.00 N ATOM 0 H LYS A 92 -10.713 -1.823 0.902 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.393 -3.417 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.894 -3.745 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.375 -4.315 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.583 -5.977 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.986 -5.483 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.832 -7.494 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.035 -6.149 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.372 -7.377 3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.045 -5.774 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.730 -7.546 2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.761 -6.667 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -12.066 -8.216 1.426 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.867 -2.839 0.706 1.00 0.00 N ATOM 1583 CA ALA A 93 -15.279 -3.077 0.970 1.00 0.00 C ATOM 1584 C ALA A 93 -16.133 -2.895 -0.287 1.00 0.00 C ATOM 1585 O ALA A 93 -16.599 -1.790 -0.584 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.760 -2.159 2.081 1.00 0.00 C ATOM 0 H ALA A 93 -13.484 -2.026 1.189 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.390 -4.114 1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.817 -2.343 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.187 -2.354 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.621 -1.120 1.781 1.00 0.00 H new ATOM 1592 N SER A 94 -16.328 -3.999 -1.008 1.00 0.00 N ATOM 1593 CA SER A 94 -17.127 -4.027 -2.230 1.00 0.00 C ATOM 1594 C SER A 94 -16.457 -3.203 -3.333 1.00 0.00 C ATOM 1595 O SER A 94 -17.067 -2.314 -3.929 1.00 0.00 O ATOM 1596 CB SER A 94 -18.558 -3.527 -1.962 1.00 0.00 C ATOM 1597 OG SER A 94 -19.443 -3.896 -3.010 1.00 0.00 O ATOM 0 H SER A 94 -15.932 -4.905 -0.757 1.00 0.00 H new ATOM 0 HA SER A 94 -17.192 -5.060 -2.570 1.00 0.00 H new ATOM 0 HB2 SER A 94 -18.918 -3.938 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.551 -2.442 -1.855 1.00 0.00 H new ATOM 0 HG SER A 94 -19.110 -3.539 -3.860 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.194 -3.508 -3.593 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.446 -2.830 -4.639 1.00 0.00 C ATOM 1605 C LEU A 95 -14.335 -3.716 -5.869 1.00 0.00 C ATOM 1606 O LEU A 95 -13.937 -4.874 -5.759 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.049 -2.469 -4.147 1.00 0.00 C ATOM 1608 CG LEU A 95 -12.302 -1.450 -5.006 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -13.063 -0.131 -5.088 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -10.910 -1.236 -4.440 1.00 0.00 C ATOM 0 H LEU A 95 -14.666 -4.222 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.980 -1.917 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.128 -2.078 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.454 -3.380 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.220 -1.840 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.506 0.573 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -14.044 -0.304 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -13.184 0.282 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.376 -0.509 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.986 -0.864 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.367 -2.181 -4.443 1.00 0.00 H new ATOM 1622 N THR A 96 -14.652 -3.134 -7.027 1.00 0.00 N ATOM 1623 CA THR A 96 -14.662 -3.818 -8.329 1.00 0.00 C ATOM 1624 C THR A 96 -15.495 -5.102 -8.367 1.00 0.00 C ATOM 1625 O THR A 96 -15.490 -5.925 -7.453 1.00 0.00 O ATOM 1626 CB THR A 96 -13.242 -4.109 -8.869 1.00 0.00 C ATOM 1627 OG1 THR A 96 -12.351 -4.518 -7.824 1.00 0.00 O ATOM 1628 CG2 THR A 96 -12.692 -2.884 -9.577 1.00 0.00 C ATOM 0 H THR A 96 -14.916 -2.151 -7.091 1.00 0.00 H new ATOM 0 HA THR A 96 -15.150 -3.097 -8.985 1.00 0.00 H new ATOM 0 HB THR A 96 -13.319 -4.932 -9.579 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.848 -5.028 -7.151 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.692 -3.100 -9.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.344 -2.622 -10.410 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.644 -2.050 -8.877 1.00 0.00 H new ATOM 1636 N ASP A 97 -16.224 -5.261 -9.458 1.00 0.00 N ATOM 1637 CA ASP A 97 -16.952 -6.488 -9.704 1.00 0.00 C ATOM 1638 C ASP A 97 -15.987 -7.524 -10.251 1.00 0.00 C ATOM 1639 O ASP A 97 -14.930 -7.163 -10.771 1.00 0.00 O ATOM 1640 CB ASP A 97 -18.110 -6.270 -10.681 1.00 0.00 C ATOM 1641 CG ASP A 97 -17.642 -5.926 -12.079 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -17.356 -4.739 -12.340 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -17.579 -6.838 -12.927 1.00 0.00 O ATOM 0 H ASP A 97 -16.326 -4.554 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 97 -17.385 -6.836 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.722 -7.171 -10.719 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.747 -5.468 -10.309 1.00 0.00 H new ATOM 1648 N THR A 98 -16.356 -8.798 -10.142 1.00 0.00 N ATOM 1649 CA THR A 98 -15.461 -9.911 -10.476 1.00 0.00 C ATOM 1650 C THR A 98 -14.094 -9.723 -9.812 1.00 0.00 C ATOM 1651 O THR A 98 -13.050 -9.782 -10.463 1.00 0.00 O ATOM 1652 CB THR A 98 -15.299 -10.122 -12.006 1.00 0.00 C ATOM 1653 OG1 THR A 98 -14.925 -8.904 -12.665 1.00 0.00 O ATOM 1654 CG2 THR A 98 -16.587 -10.649 -12.617 1.00 0.00 C ATOM 0 H THR A 98 -17.279 -9.091 -9.821 1.00 0.00 H new ATOM 0 HA THR A 98 -15.929 -10.814 -10.084 1.00 0.00 H new ATOM 0 HB THR A 98 -14.505 -10.855 -12.148 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.519 -8.292 -12.016 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.450 -10.789 -13.689 1.00 0.00 H new ATOM 0 HG22 THR A 98 -16.845 -11.603 -12.156 1.00 0.00 H new ATOM 0 HG23 THR A 98 -17.391 -9.934 -12.444 1.00 0.00 H new ATOM 1662 N ARG A 99 -14.134 -9.484 -8.504 1.00 0.00 N ATOM 1663 CA ARG A 99 -12.935 -9.244 -7.707 1.00 0.00 C ATOM 1664 C ARG A 99 -12.078 -10.499 -7.618 1.00 0.00 C ATOM 1665 O ARG A 99 -12.559 -11.606 -7.880 1.00 0.00 O ATOM 1666 CB ARG A 99 -13.327 -8.785 -6.302 1.00 0.00 C ATOM 1667 CG ARG A 99 -14.177 -9.801 -5.565 1.00 0.00 C ATOM 1668 CD ARG A 99 -14.630 -9.289 -4.208 1.00 0.00 C ATOM 1669 NE ARG A 99 -15.423 -10.292 -3.492 1.00 0.00 N ATOM 1670 CZ ARG A 99 -15.798 -10.186 -2.219 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -15.492 -9.095 -1.522 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -16.483 -11.174 -1.649 1.00 0.00 N ATOM 0 H ARG A 99 -15.000 -9.451 -7.966 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.352 -8.464 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.424 -8.587 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.873 -7.844 -6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.050 -10.049 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.609 -10.722 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.759 -9.018 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.221 -8.382 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.707 -11.128 -4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.969 -8.338 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.780 -9.015 -0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.719 -12.008 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.773 -11.098 -0.674 1.00 0.00 H new ATOM 1686 N THR A 100 -10.824 -10.311 -7.210 1.00 0.00 N ATOM 1687 CA THR A 100 -9.838 -11.390 -7.125 1.00 0.00 C ATOM 1688 C THR A 100 -9.819 -12.243 -8.394 1.00 0.00 C ATOM 1689 O THR A 100 -9.199 -11.804 -9.386 1.00 0.00 O ATOM 1690 CB THR A 100 -10.047 -12.276 -5.869 1.00 0.00 C ATOM 1691 OG1 THR A 100 -11.427 -12.628 -5.714 1.00 0.00 O ATOM 1692 CG2 THR A 100 -9.564 -11.558 -4.619 1.00 0.00 C ATOM 1693 OXT THR A 100 -10.412 -13.339 -8.398 1.00 0.00 O ATOM 0 H THR A 100 -10.460 -9.401 -6.927 1.00 0.00 H new ATOM 0 HA THR A 100 -8.864 -10.910 -7.029 1.00 0.00 H new ATOM 0 HB THR A 100 -9.464 -13.187 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 100 -11.857 -12.661 -6.594 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.720 -12.197 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.502 -11.331 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.123 -10.631 -4.493 1.00 0.00 H new TER 1701 THR A 100