USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 3 ASN :FLIP amide:sc= 0.658 F(o=-1.7,f=1.9) USER MOD Set 1.2: A 72 TYR OH : rot 75:sc= 1.28 USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.138 (180deg=-0.776) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 81:sc= 1.21 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00872 X(o=-0.0087,f=-0.0079) USER MOD Single : A 31 SER OG : rot -98:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.154) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc=-0.00323 (180deg=-0.256) USER MOD Single : A 42 MET CE :methyl -145:sc= -0.0416 (180deg=-0.456) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.493 F(o=-1.5,f=-0.49) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.31 F(o=-1.5,f=-0.31) USER MOD Single : A 46 THR OG1 : rot -140:sc= 0.285 USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.353) USER MOD Single : A 52 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 54 TYR OH : rot -54:sc= 0.35 USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0192 (180deg=-0.321) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc=-0.00455 (180deg=-0.215) USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= 0.191 (180deg=-0.0338) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0116) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.07 USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.0681 (180deg=-0.487) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= -0.181 (180deg=-0.869) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 BME O1 : rot -35:sc= 0.279 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 5.632 -6.588 5.577 1.00 0.00 N ATOM 2 CA ASN A 3 5.876 -7.715 4.626 1.00 0.00 C ATOM 3 C ASN A 3 4.550 -8.297 4.113 1.00 0.00 C ATOM 4 O ASN A 3 3.524 -8.132 4.748 1.00 0.00 O ATOM 5 CB ASN A 3 6.672 -8.814 5.354 1.00 0.00 C ATOM 6 CG ASN A 3 5.940 -9.191 6.654 1.00 0.00 C ATOM 7 OD1 ASN A 3 5.213 -10.271 6.682 1.00 0.00 O flip ATOM 8 ND2 ASN A 3 6.018 -8.499 7.650 1.00 0.00 N flip ATOM 0 HA ASN A 3 6.438 -7.341 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.775 -9.690 4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.679 -8.462 5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.585 -7.651 7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.517 -8.766 8.497 1.00 0.00 H new ATOM 15 N ALA A 4 4.640 -8.950 2.975 1.00 0.00 N ATOM 16 CA ALA A 4 3.511 -9.605 2.266 1.00 0.00 C ATOM 17 C ALA A 4 2.712 -8.520 1.521 1.00 0.00 C ATOM 18 O ALA A 4 2.196 -7.604 2.131 1.00 0.00 O ATOM 19 CB ALA A 4 2.571 -10.347 3.235 1.00 0.00 C ATOM 0 H ALA A 4 5.526 -9.056 2.482 1.00 0.00 H new ATOM 0 HA ALA A 4 3.921 -10.342 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.761 -10.810 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.130 -11.117 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.156 -9.639 3.953 1.00 0.00 H new ATOM 25 N PRO A 5 2.642 -8.663 0.218 1.00 0.00 N ATOM 26 CA PRO A 5 2.327 -7.576 -0.747 1.00 0.00 C ATOM 27 C PRO A 5 1.200 -6.608 -0.354 1.00 0.00 C ATOM 28 O PRO A 5 0.038 -6.844 -0.629 1.00 0.00 O ATOM 29 CB PRO A 5 2.089 -8.360 -2.075 1.00 0.00 C ATOM 30 CG PRO A 5 1.805 -9.812 -1.604 1.00 0.00 C ATOM 31 CD PRO A 5 2.835 -9.951 -0.487 1.00 0.00 C ATOM 0 HA PRO A 5 3.138 -6.850 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.249 -7.950 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.961 -8.315 -2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.784 -9.938 -1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.955 -10.542 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.637 -10.809 0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.849 -10.066 -0.870 1.00 0.00 H new ATOM 39 N LYS A 6 1.614 -5.544 0.287 1.00 0.00 N ATOM 40 CA LYS A 6 0.680 -4.476 0.764 1.00 0.00 C ATOM 41 C LYS A 6 0.946 -3.083 0.157 1.00 0.00 C ATOM 42 O LYS A 6 1.488 -2.215 0.814 1.00 0.00 O ATOM 43 CB LYS A 6 0.783 -4.416 2.314 1.00 0.00 C ATOM 44 CG LYS A 6 -0.091 -5.495 2.997 1.00 0.00 C ATOM 45 CD LYS A 6 -1.466 -4.876 3.367 1.00 0.00 C ATOM 46 CE LYS A 6 -2.280 -5.869 4.218 1.00 0.00 C ATOM 47 NZ LYS A 6 -1.542 -6.198 5.474 1.00 0.00 N ATOM 0 H LYS A 6 2.594 -5.366 0.507 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.324 -4.741 0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.823 -4.549 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.476 -3.429 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.229 -6.345 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.406 -5.870 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.319 -3.947 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.017 -4.625 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.252 -5.440 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.467 -6.779 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.210 -6.560 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.822 -6.922 5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.079 -5.341 5.839 1.00 0.00 H new ATOM 61 N ARG A 7 0.557 -2.935 -1.089 1.00 0.00 N ATOM 62 CA ARG A 7 0.715 -1.652 -1.858 1.00 0.00 C ATOM 63 C ARG A 7 0.566 -0.389 -0.953 1.00 0.00 C ATOM 64 O ARG A 7 -0.549 0.004 -0.669 1.00 0.00 O ATOM 65 CB ARG A 7 -0.351 -1.648 -2.991 1.00 0.00 C ATOM 66 CG ARG A 7 -0.262 -0.347 -3.833 1.00 0.00 C ATOM 67 CD ARG A 7 -1.280 -0.411 -4.987 1.00 0.00 C ATOM 68 NE ARG A 7 -1.213 0.877 -5.744 1.00 0.00 N ATOM 69 CZ ARG A 7 -2.285 1.611 -5.887 1.00 0.00 C ATOM 70 NH1 ARG A 7 -2.689 2.342 -4.885 1.00 0.00 N ATOM 71 NH2 ARG A 7 -2.916 1.589 -7.028 1.00 0.00 N ATOM 0 H ARG A 7 0.118 -3.682 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 7 1.723 -1.605 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.204 -2.514 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.347 -1.738 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.463 0.520 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.746 -0.226 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.056 -1.250 -5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.286 -0.571 -4.598 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.329 1.183 -6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.170 2.335 -4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.524 2.921 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.571 1.006 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.754 2.155 -7.158 1.00 0.00 H new ATOM 85 N PRO A 8 1.661 0.209 -0.523 1.00 0.00 N ATOM 86 CA PRO A 8 1.658 1.314 0.489 1.00 0.00 C ATOM 87 C PRO A 8 0.944 2.577 -0.046 1.00 0.00 C ATOM 88 O PRO A 8 0.403 2.550 -1.136 1.00 0.00 O ATOM 89 CB PRO A 8 3.145 1.533 0.786 1.00 0.00 C ATOM 90 CG PRO A 8 3.794 1.186 -0.556 1.00 0.00 C ATOM 91 CD PRO A 8 3.052 -0.091 -0.969 1.00 0.00 C ATOM 0 HA PRO A 8 1.100 1.071 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.354 2.560 1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.500 0.887 1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.664 1.984 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.866 1.017 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.108 -0.268 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.457 -0.976 -0.479 1.00 0.00 H new ATOM 99 N PRO A 9 0.947 3.644 0.729 1.00 0.00 N ATOM 100 CA PRO A 9 0.736 5.039 0.241 1.00 0.00 C ATOM 101 C PRO A 9 1.100 5.341 -1.227 1.00 0.00 C ATOM 102 O PRO A 9 1.793 4.589 -1.885 1.00 0.00 O ATOM 103 CB PRO A 9 1.527 5.843 1.267 1.00 0.00 C ATOM 104 CG PRO A 9 1.108 5.135 2.579 1.00 0.00 C ATOM 105 CD PRO A 9 1.156 3.628 2.210 1.00 0.00 C ATOM 0 HA PRO A 9 -0.323 5.289 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.602 5.789 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.256 6.899 1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.789 5.370 3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.111 5.438 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.110 3.176 2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.379 3.061 2.722 1.00 0.00 H new ATOM 113 N SER A 10 0.608 6.464 -1.682 1.00 0.00 N ATOM 114 CA SER A 10 0.851 6.915 -3.090 1.00 0.00 C ATOM 115 C SER A 10 1.728 8.171 -3.190 1.00 0.00 C ATOM 116 O SER A 10 2.256 8.429 -4.253 1.00 0.00 O ATOM 117 CB SER A 10 -0.520 7.182 -3.745 1.00 0.00 C ATOM 118 OG SER A 10 -1.182 5.924 -3.675 1.00 0.00 O ATOM 0 H SER A 10 0.036 7.102 -1.128 1.00 0.00 H new ATOM 0 HA SER A 10 1.399 6.126 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.074 7.955 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.412 7.520 -4.776 1.00 0.00 H new ATOM 0 HG SER A 10 -2.074 6.001 -4.073 1.00 0.00 H new ATOM 124 N ALA A 11 1.838 8.874 -2.085 1.00 0.00 N ATOM 125 CA ALA A 11 2.625 10.149 -1.909 1.00 0.00 C ATOM 126 C ALA A 11 1.524 11.123 -1.488 1.00 0.00 C ATOM 127 O ALA A 11 1.605 11.864 -0.527 1.00 0.00 O ATOM 128 CB ALA A 11 3.237 10.660 -3.213 1.00 0.00 C ATOM 0 H ALA A 11 1.372 8.588 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 11 3.460 10.024 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.790 11.579 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.914 9.907 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.444 10.859 -3.934 1.00 0.00 H new ATOM 134 N PHE A 12 0.500 11.039 -2.297 1.00 0.00 N ATOM 135 CA PHE A 12 -0.732 11.835 -2.164 1.00 0.00 C ATOM 136 C PHE A 12 -1.348 11.472 -0.824 1.00 0.00 C ATOM 137 O PHE A 12 -1.962 12.297 -0.188 1.00 0.00 O ATOM 138 CB PHE A 12 -1.629 11.456 -3.352 1.00 0.00 C ATOM 139 CG PHE A 12 -3.089 11.868 -3.126 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.984 11.050 -2.456 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.521 13.080 -3.603 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.291 11.462 -2.278 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.817 13.485 -3.423 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.707 12.674 -2.762 1.00 0.00 C ATOM 0 H PHE A 12 0.481 10.403 -3.094 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.571 12.913 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.253 11.934 -4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.578 10.380 -3.516 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.661 10.093 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.830 13.723 -4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.988 10.825 -1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.140 14.444 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.730 12.991 -2.624 1.00 0.00 H new ATOM 154 N PHE A 13 -1.163 10.241 -0.424 1.00 0.00 N ATOM 155 CA PHE A 13 -1.739 9.808 0.880 1.00 0.00 C ATOM 156 C PHE A 13 -1.274 10.714 2.041 1.00 0.00 C ATOM 157 O PHE A 13 -2.092 11.233 2.769 1.00 0.00 O ATOM 158 CB PHE A 13 -1.327 8.347 1.155 1.00 0.00 C ATOM 159 CG PHE A 13 -2.100 7.862 2.400 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.371 7.335 2.258 1.00 0.00 C ATOM 161 CD2 PHE A 13 -1.553 7.965 3.667 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.086 6.916 3.360 1.00 0.00 C ATOM 163 CE2 PHE A 13 -2.270 7.546 4.772 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.536 7.023 4.619 1.00 0.00 C ATOM 0 H PHE A 13 -0.645 9.527 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.824 9.887 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.556 7.718 0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.252 8.279 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.808 7.251 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.562 8.375 3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.077 6.504 3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.837 7.629 5.758 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.096 6.698 5.484 1.00 0.00 H new ATOM 174 N LEU A 14 0.014 10.898 2.178 1.00 0.00 N ATOM 175 CA LEU A 14 0.559 11.745 3.277 1.00 0.00 C ATOM 176 C LEU A 14 -0.099 13.128 3.376 1.00 0.00 C ATOM 177 O LEU A 14 -0.646 13.494 4.399 1.00 0.00 O ATOM 178 CB LEU A 14 2.099 11.960 3.093 1.00 0.00 C ATOM 179 CG LEU A 14 3.030 10.684 3.045 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.700 9.608 4.107 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.132 10.058 1.633 1.00 0.00 C ATOM 0 H LEU A 14 0.720 10.490 1.565 1.00 0.00 H new ATOM 0 HA LEU A 14 0.339 11.199 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.249 12.517 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.446 12.595 3.908 1.00 0.00 H new ATOM 0 HG LEU A 14 4.014 11.074 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.388 8.769 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.802 10.037 5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.677 9.259 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.785 9.186 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.140 9.755 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.542 10.791 0.939 1.00 0.00 H new ATOM 193 N PHE A 15 -0.038 13.857 2.294 1.00 0.00 N ATOM 194 CA PHE A 15 -0.638 15.217 2.299 1.00 0.00 C ATOM 195 C PHE A 15 -2.186 15.182 2.347 1.00 0.00 C ATOM 196 O PHE A 15 -2.779 16.023 2.996 1.00 0.00 O ATOM 197 CB PHE A 15 -0.018 15.943 1.044 1.00 0.00 C ATOM 198 CG PHE A 15 -0.994 16.413 -0.024 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.639 15.479 -0.796 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.215 17.766 -0.236 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.496 15.877 -1.774 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.082 18.167 -1.226 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.722 17.222 -1.996 1.00 0.00 C ATOM 0 H PHE A 15 0.397 13.571 1.417 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.400 15.778 3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.545 16.808 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.697 15.265 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.466 14.427 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.709 18.501 0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.002 15.139 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.260 19.218 -1.398 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.402 17.533 -2.775 1.00 0.00 H new ATOM 213 N CYS A 16 -2.805 14.241 1.674 1.00 0.00 N ATOM 214 CA CYS A 16 -4.302 14.138 1.680 1.00 0.00 C ATOM 215 C CYS A 16 -4.772 13.897 3.125 1.00 0.00 C ATOM 216 O CYS A 16 -5.744 14.484 3.556 1.00 0.00 O ATOM 217 CB CYS A 16 -4.790 12.956 0.818 1.00 0.00 C ATOM 218 SG CYS A 16 -4.677 11.278 1.483 1.00 0.00 S ATOM 0 H CYS A 16 -2.332 13.531 1.114 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.709 15.063 1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.835 13.141 0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.230 12.978 -0.117 1.00 0.00 H new ATOM 223 N SER A 17 -4.083 13.034 3.840 1.00 0.00 N ATOM 224 CA SER A 17 -4.460 12.735 5.257 1.00 0.00 C ATOM 225 C SER A 17 -4.564 14.068 6.008 1.00 0.00 C ATOM 226 O SER A 17 -5.566 14.380 6.623 1.00 0.00 O ATOM 227 CB SER A 17 -3.376 11.845 5.899 1.00 0.00 C ATOM 228 OG SER A 17 -3.380 10.666 5.108 1.00 0.00 O ATOM 0 H SER A 17 -3.270 12.522 3.497 1.00 0.00 H new ATOM 0 HA SER A 17 -5.412 12.207 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.401 12.332 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.607 11.626 6.942 1.00 0.00 H new ATOM 0 HG SER A 17 -2.856 10.817 4.294 1.00 0.00 H new ATOM 234 N GLU A 18 -3.486 14.801 5.913 1.00 0.00 N ATOM 235 CA GLU A 18 -3.377 16.138 6.567 1.00 0.00 C ATOM 236 C GLU A 18 -4.488 17.118 6.106 1.00 0.00 C ATOM 237 O GLU A 18 -4.831 18.042 6.818 1.00 0.00 O ATOM 238 CB GLU A 18 -1.978 16.680 6.232 1.00 0.00 C ATOM 239 CG GLU A 18 -1.733 18.037 6.939 1.00 0.00 C ATOM 240 CD GLU A 18 -0.277 18.543 6.773 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.505 17.905 6.080 1.00 0.00 O ATOM 242 OE2 GLU A 18 -0.024 19.576 7.372 1.00 0.00 O ATOM 0 H GLU A 18 -2.654 14.520 5.395 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.514 16.038 7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.220 15.961 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.879 16.803 5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.420 18.781 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.959 17.935 8.000 1.00 0.00 H new ATOM 249 N TYR A 19 -5.013 16.874 4.929 1.00 0.00 N ATOM 250 CA TYR A 19 -6.094 17.739 4.348 1.00 0.00 C ATOM 251 C TYR A 19 -7.534 17.370 4.706 1.00 0.00 C ATOM 252 O TYR A 19 -8.329 18.264 4.902 1.00 0.00 O ATOM 253 CB TYR A 19 -5.996 17.734 2.809 1.00 0.00 C ATOM 254 CG TYR A 19 -4.935 18.701 2.265 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.903 19.199 3.040 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.024 19.093 0.945 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.986 20.070 2.497 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.109 19.966 0.401 1.00 0.00 C ATOM 259 CZ TYR A 19 -3.078 20.462 1.177 1.00 0.00 C ATOM 260 OH TYR A 19 -2.151 21.340 0.650 1.00 0.00 O ATOM 0 H TYR A 19 -4.733 16.095 4.333 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.906 18.715 4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.765 16.724 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.967 17.997 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.817 18.903 4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.824 18.709 0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.184 20.452 3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.197 20.264 -0.633 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.361 21.511 -0.292 1.00 0.00 H new ATOM 270 N ARG A 20 -7.833 16.099 4.758 1.00 0.00 N ATOM 271 CA ARG A 20 -9.209 15.606 5.099 1.00 0.00 C ATOM 272 C ARG A 20 -10.075 16.622 5.891 1.00 0.00 C ATOM 273 O ARG A 20 -11.034 17.124 5.342 1.00 0.00 O ATOM 274 CB ARG A 20 -8.999 14.249 5.854 1.00 0.00 C ATOM 275 CG ARG A 20 -10.261 13.797 6.640 1.00 0.00 C ATOM 276 CD ARG A 20 -10.015 12.400 7.246 1.00 0.00 C ATOM 277 NE ARG A 20 -8.769 12.438 8.075 1.00 0.00 N ATOM 278 CZ ARG A 20 -8.790 12.125 9.344 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.374 11.021 9.723 1.00 0.00 N ATOM 280 NH2 ARG A 20 -8.215 12.929 10.193 1.00 0.00 N ATOM 0 H ARG A 20 -7.160 15.355 4.573 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.795 15.467 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.728 13.476 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.162 14.349 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.487 14.513 7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.126 13.771 5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.865 12.101 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.917 11.658 6.453 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.888 12.713 7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.809 10.411 9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.395 10.769 10.711 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.762 13.781 9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.218 12.707 11.188 1.00 0.00 H new ATOM 294 N PRO A 21 -9.733 16.929 7.124 1.00 0.00 N ATOM 295 CA PRO A 21 -10.591 17.747 8.035 1.00 0.00 C ATOM 296 C PRO A 21 -10.478 19.263 7.761 1.00 0.00 C ATOM 297 O PRO A 21 -11.278 20.050 8.231 1.00 0.00 O ATOM 298 CB PRO A 21 -10.091 17.349 9.397 1.00 0.00 C ATOM 299 CG PRO A 21 -8.563 17.308 9.149 1.00 0.00 C ATOM 300 CD PRO A 21 -8.471 16.529 7.826 1.00 0.00 C ATOM 0 HA PRO A 21 -11.657 17.562 7.906 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.365 18.073 10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.484 16.383 9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.137 18.308 9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.033 16.804 9.957 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.584 16.804 7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.423 15.453 7.992 1.00 0.00 H new ATOM 308 N LYS A 22 -9.475 19.600 6.994 1.00 0.00 N ATOM 309 CA LYS A 22 -9.179 21.012 6.613 1.00 0.00 C ATOM 310 C LYS A 22 -9.938 21.435 5.345 1.00 0.00 C ATOM 311 O LYS A 22 -10.318 22.584 5.230 1.00 0.00 O ATOM 312 CB LYS A 22 -7.655 21.107 6.413 1.00 0.00 C ATOM 313 CG LYS A 22 -7.190 22.561 6.194 1.00 0.00 C ATOM 314 CD LYS A 22 -5.651 22.549 6.066 1.00 0.00 C ATOM 315 CE LYS A 22 -5.116 23.982 5.953 1.00 0.00 C ATOM 316 NZ LYS A 22 -3.625 23.949 5.882 1.00 0.00 N ATOM 0 H LYS A 22 -8.822 18.923 6.600 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.512 21.694 7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.149 20.692 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.363 20.500 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.645 22.976 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.499 23.191 7.028 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.211 22.056 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.357 21.973 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.523 24.465 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.438 24.571 6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.260 24.920 5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.246 23.503 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.329 23.401 5.049 1.00 0.00 H new ATOM 330 N ILE A 23 -10.164 20.520 4.432 1.00 0.00 N ATOM 331 CA ILE A 23 -10.890 20.891 3.184 1.00 0.00 C ATOM 332 C ILE A 23 -12.332 20.820 3.620 1.00 0.00 C ATOM 333 O ILE A 23 -13.128 21.682 3.332 1.00 0.00 O ATOM 334 CB ILE A 23 -10.678 19.868 2.049 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.178 19.696 1.753 1.00 0.00 C ATOM 336 CG2 ILE A 23 -11.383 20.437 0.781 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.014 18.547 0.750 1.00 0.00 C ATOM 0 H ILE A 23 -9.879 19.543 4.499 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.558 21.852 2.793 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.085 18.898 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.763 20.618 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.632 19.479 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.257 19.741 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.446 20.570 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.941 21.398 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.956 18.408 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.418 17.630 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.551 18.786 -0.168 1.00 0.00 H new ATOM 349 N LYS A 24 -12.595 19.755 4.316 1.00 0.00 N ATOM 350 CA LYS A 24 -13.936 19.459 4.862 1.00 0.00 C ATOM 351 C LYS A 24 -14.393 20.588 5.790 1.00 0.00 C ATOM 352 O LYS A 24 -15.569 20.867 5.910 1.00 0.00 O ATOM 353 CB LYS A 24 -13.798 18.147 5.584 1.00 0.00 C ATOM 354 CG LYS A 24 -15.174 17.699 6.136 1.00 0.00 C ATOM 355 CD LYS A 24 -15.363 16.181 5.988 1.00 0.00 C ATOM 356 CE LYS A 24 -15.392 15.798 4.483 1.00 0.00 C ATOM 357 NZ LYS A 24 -16.500 14.836 4.226 1.00 0.00 N ATOM 0 H LYS A 24 -11.896 19.045 4.537 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.696 19.388 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.405 17.389 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.084 18.246 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.256 17.978 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.970 18.221 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.552 15.654 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.291 15.872 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.526 16.692 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.439 15.355 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.514 14.584 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.354 13.978 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.407 15.274 4.486 1.00 0.00 H new ATOM 371 N GLY A 25 -13.417 21.196 6.411 1.00 0.00 N ATOM 372 CA GLY A 25 -13.686 22.314 7.354 1.00 0.00 C ATOM 373 C GLY A 25 -14.198 23.536 6.588 1.00 0.00 C ATOM 374 O GLY A 25 -15.159 24.172 6.974 1.00 0.00 O ATOM 0 H GLY A 25 -12.431 20.959 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.423 22.005 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.776 22.570 7.896 1.00 0.00 H new ATOM 378 N GLU A 26 -13.511 23.805 5.512 1.00 0.00 N ATOM 379 CA GLU A 26 -13.838 24.953 4.617 1.00 0.00 C ATOM 380 C GLU A 26 -15.118 24.723 3.802 1.00 0.00 C ATOM 381 O GLU A 26 -16.002 25.557 3.757 1.00 0.00 O ATOM 382 CB GLU A 26 -12.658 25.159 3.664 1.00 0.00 C ATOM 383 CG GLU A 26 -11.376 25.466 4.463 1.00 0.00 C ATOM 384 CD GLU A 26 -11.424 26.902 5.017 1.00 0.00 C ATOM 385 OE1 GLU A 26 -11.411 27.805 4.194 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.475 27.020 6.230 1.00 0.00 O ATOM 0 H GLU A 26 -12.708 23.256 5.206 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.013 25.832 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.512 24.266 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.873 25.979 2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.271 24.756 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.502 25.345 3.823 1.00 0.00 H new ATOM 393 N HIS A 27 -15.147 23.573 3.187 1.00 0.00 N ATOM 394 CA HIS A 27 -16.270 23.119 2.328 1.00 0.00 C ATOM 395 C HIS A 27 -16.818 21.767 2.825 1.00 0.00 C ATOM 396 O HIS A 27 -16.487 20.727 2.287 1.00 0.00 O ATOM 397 CB HIS A 27 -15.740 22.997 0.881 1.00 0.00 C ATOM 398 CG HIS A 27 -14.829 24.188 0.562 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.220 25.412 0.432 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.460 24.234 0.359 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.199 26.165 0.170 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.086 25.475 0.116 1.00 0.00 N ATOM 0 H HIS A 27 -14.389 22.893 3.253 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.090 23.836 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.189 22.064 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.574 22.966 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.798 23.381 0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.258 27.232 0.015 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.144 25.820 -0.071 1.00 0.00 H new ATOM 410 N PRO A 28 -17.646 21.809 3.842 1.00 0.00 N ATOM 411 CA PRO A 28 -18.521 20.663 4.218 1.00 0.00 C ATOM 412 C PRO A 28 -19.746 20.663 3.271 1.00 0.00 C ATOM 413 O PRO A 28 -20.879 20.565 3.699 1.00 0.00 O ATOM 414 CB PRO A 28 -18.840 20.953 5.682 1.00 0.00 C ATOM 415 CG PRO A 28 -18.973 22.502 5.678 1.00 0.00 C ATOM 416 CD PRO A 28 -17.817 22.970 4.755 1.00 0.00 C ATOM 0 HA PRO A 28 -18.092 19.666 4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.760 20.465 6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.047 20.612 6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -19.943 22.819 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.875 22.915 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.074 23.879 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.908 23.181 5.318 1.00 0.00 H new ATOM 424 N GLY A 29 -19.436 20.776 2.002 1.00 0.00 N ATOM 425 CA GLY A 29 -20.449 20.799 0.916 1.00 0.00 C ATOM 426 C GLY A 29 -20.139 19.764 -0.172 1.00 0.00 C ATOM 427 O GLY A 29 -21.024 19.408 -0.925 1.00 0.00 O ATOM 0 H GLY A 29 -18.476 20.856 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.436 20.602 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.484 21.794 0.472 1.00 0.00 H new ATOM 431 N LEU A 30 -18.908 19.304 -0.230 1.00 0.00 N ATOM 432 CA LEU A 30 -18.526 18.302 -1.256 1.00 0.00 C ATOM 433 C LEU A 30 -18.675 16.871 -0.709 1.00 0.00 C ATOM 434 O LEU A 30 -19.094 16.658 0.412 1.00 0.00 O ATOM 435 CB LEU A 30 -17.047 18.506 -1.699 1.00 0.00 C ATOM 436 CG LEU A 30 -16.343 19.796 -1.218 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.845 19.690 -1.610 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.947 21.023 -1.928 1.00 0.00 C ATOM 0 H LEU A 30 -18.155 19.587 0.397 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.192 18.440 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.467 17.652 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.014 18.488 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.467 19.908 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.319 20.587 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.404 18.816 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.758 19.592 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.445 21.927 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.813 20.922 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.011 21.089 -1.699 1.00 0.00 H new ATOM 450 N SER A 31 -18.310 15.939 -1.551 1.00 0.00 N ATOM 451 CA SER A 31 -18.368 14.483 -1.239 1.00 0.00 C ATOM 452 C SER A 31 -16.951 13.926 -1.094 1.00 0.00 C ATOM 453 O SER A 31 -15.982 14.646 -1.187 1.00 0.00 O ATOM 454 CB SER A 31 -19.084 13.748 -2.385 1.00 0.00 C ATOM 455 OG SER A 31 -18.230 13.910 -3.510 1.00 0.00 O ATOM 0 H SER A 31 -17.958 16.142 -2.486 1.00 0.00 H new ATOM 0 HA SER A 31 -18.911 14.336 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 31 -19.231 12.694 -2.148 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.070 14.173 -2.572 1.00 0.00 H new ATOM 0 HG SER A 31 -18.557 14.648 -4.066 1.00 0.00 H new ATOM 461 N ILE A 32 -16.881 12.640 -0.885 1.00 0.00 N ATOM 462 CA ILE A 32 -15.572 11.937 -0.730 1.00 0.00 C ATOM 463 C ILE A 32 -14.987 11.767 -2.154 1.00 0.00 C ATOM 464 O ILE A 32 -13.881 11.308 -2.354 1.00 0.00 O ATOM 465 CB ILE A 32 -15.903 10.606 -0.033 1.00 0.00 C ATOM 466 CG1 ILE A 32 -14.730 10.008 0.785 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.477 9.562 -1.034 1.00 0.00 C ATOM 468 CD1 ILE A 32 -13.448 9.719 -0.018 1.00 0.00 C ATOM 0 H ILE A 32 -17.696 12.031 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.826 12.464 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.676 10.851 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.485 10.696 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.067 9.080 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.699 8.635 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.391 9.952 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.744 9.367 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.689 9.303 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.668 9.004 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.078 10.645 -0.458 1.00 0.00 H new ATOM 480 N GLY A 33 -15.788 12.165 -3.102 1.00 0.00 N ATOM 481 CA GLY A 33 -15.423 12.095 -4.543 1.00 0.00 C ATOM 482 C GLY A 33 -15.039 13.495 -5.029 1.00 0.00 C ATOM 483 O GLY A 33 -14.500 13.629 -6.108 1.00 0.00 O ATOM 0 H GLY A 33 -16.716 12.551 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.592 11.405 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.261 11.711 -5.125 1.00 0.00 H new ATOM 487 N ASP A 34 -15.315 14.491 -4.222 1.00 0.00 N ATOM 488 CA ASP A 34 -14.995 15.897 -4.575 1.00 0.00 C ATOM 489 C ASP A 34 -13.771 16.282 -3.765 1.00 0.00 C ATOM 490 O ASP A 34 -12.854 16.869 -4.282 1.00 0.00 O ATOM 491 CB ASP A 34 -16.174 16.798 -4.209 1.00 0.00 C ATOM 492 CG ASP A 34 -17.414 16.539 -5.086 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.247 16.502 -6.294 1.00 0.00 O ATOM 494 OD2 ASP A 34 -18.471 16.398 -4.494 1.00 0.00 O ATOM 0 H ASP A 34 -15.760 14.378 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.805 16.007 -5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.435 16.641 -3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.874 17.841 -4.310 1.00 0.00 H new ATOM 499 N VAL A 35 -13.776 15.936 -2.511 1.00 0.00 N ATOM 500 CA VAL A 35 -12.631 16.249 -1.602 1.00 0.00 C ATOM 501 C VAL A 35 -11.400 15.516 -2.138 1.00 0.00 C ATOM 502 O VAL A 35 -10.277 15.935 -1.945 1.00 0.00 O ATOM 503 CB VAL A 35 -13.025 15.764 -0.187 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.817 15.805 0.771 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.121 16.685 0.406 1.00 0.00 C ATOM 0 H VAL A 35 -14.544 15.436 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.402 17.314 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.387 14.741 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.123 15.459 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.027 15.158 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.445 16.827 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.391 16.335 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.743 17.705 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.001 16.664 -0.237 1.00 0.00 H new ATOM 515 N ALA A 36 -11.690 14.438 -2.817 1.00 0.00 N ATOM 516 CA ALA A 36 -10.651 13.573 -3.415 1.00 0.00 C ATOM 517 C ALA A 36 -10.308 14.077 -4.808 1.00 0.00 C ATOM 518 O ALA A 36 -9.151 14.135 -5.167 1.00 0.00 O ATOM 519 CB ALA A 36 -11.207 12.162 -3.459 1.00 0.00 C ATOM 0 H ALA A 36 -12.644 14.117 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.733 13.588 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.466 11.492 -3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.443 11.832 -2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.112 12.146 -4.066 1.00 0.00 H new ATOM 525 N LYS A 37 -11.317 14.424 -5.560 1.00 0.00 N ATOM 526 CA LYS A 37 -11.081 14.934 -6.939 1.00 0.00 C ATOM 527 C LYS A 37 -10.328 16.282 -6.899 1.00 0.00 C ATOM 528 O LYS A 37 -9.482 16.548 -7.729 1.00 0.00 O ATOM 529 CB LYS A 37 -12.463 15.054 -7.597 1.00 0.00 C ATOM 530 CG LYS A 37 -12.442 15.723 -8.973 1.00 0.00 C ATOM 531 CD LYS A 37 -11.530 14.947 -9.958 1.00 0.00 C ATOM 532 CE LYS A 37 -11.814 15.400 -11.401 1.00 0.00 C ATOM 533 NZ LYS A 37 -11.645 16.876 -11.541 1.00 0.00 N ATOM 0 H LYS A 37 -12.296 14.376 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.449 14.261 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.895 14.058 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.119 15.622 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.455 15.772 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.088 16.749 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.483 15.122 -9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.705 13.875 -9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.140 14.887 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.829 15.118 -11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.657 17.133 -12.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.422 17.363 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.737 17.163 -11.122 1.00 0.00 H new ATOM 547 N LYS A 38 -10.657 17.090 -5.925 1.00 0.00 N ATOM 548 CA LYS A 38 -10.025 18.420 -5.757 1.00 0.00 C ATOM 549 C LYS A 38 -8.602 18.262 -5.279 1.00 0.00 C ATOM 550 O LYS A 38 -7.691 18.632 -5.983 1.00 0.00 O ATOM 551 CB LYS A 38 -10.786 19.257 -4.709 1.00 0.00 C ATOM 552 CG LYS A 38 -11.770 20.225 -5.355 1.00 0.00 C ATOM 553 CD LYS A 38 -12.828 19.506 -6.216 1.00 0.00 C ATOM 554 CE LYS A 38 -13.985 20.477 -6.504 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.473 21.755 -7.080 1.00 0.00 N ATOM 0 H LYS A 38 -11.361 16.870 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.050 18.923 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.323 18.591 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.072 19.816 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.270 20.802 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.222 20.934 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.383 19.163 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.199 18.622 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.688 20.016 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.532 20.681 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.249 22.256 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.093 22.352 -6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.719 21.549 -7.767 1.00 0.00 H new ATOM 569 N LEU A 39 -8.427 17.707 -4.109 1.00 0.00 N ATOM 570 CA LEU A 39 -7.044 17.541 -3.595 1.00 0.00 C ATOM 571 C LEU A 39 -6.249 16.563 -4.492 1.00 0.00 C ATOM 572 O LEU A 39 -5.044 16.668 -4.566 1.00 0.00 O ATOM 573 CB LEU A 39 -7.245 17.133 -2.090 1.00 0.00 C ATOM 574 CG LEU A 39 -6.893 15.701 -1.716 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.396 15.625 -1.470 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.561 15.346 -0.363 1.00 0.00 C ATOM 0 H LEU A 39 -9.170 17.368 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.420 18.434 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.646 17.803 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.289 17.306 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.219 15.032 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.123 14.605 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.863 15.916 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.126 16.300 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.311 14.320 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.200 16.024 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.643 15.444 -0.455 1.00 0.00 H new ATOM 588 N GLY A 40 -6.928 15.662 -5.162 1.00 0.00 N ATOM 589 CA GLY A 40 -6.258 14.661 -6.071 1.00 0.00 C ATOM 590 C GLY A 40 -5.572 15.419 -7.171 1.00 0.00 C ATOM 591 O GLY A 40 -4.525 15.040 -7.655 1.00 0.00 O ATOM 0 H GLY A 40 -7.943 15.572 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.537 14.063 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.993 13.971 -6.485 1.00 0.00 H new ATOM 595 N GLU A 41 -6.213 16.499 -7.515 1.00 0.00 N ATOM 596 CA GLU A 41 -5.700 17.374 -8.578 1.00 0.00 C ATOM 597 C GLU A 41 -4.655 18.314 -7.983 1.00 0.00 C ATOM 598 O GLU A 41 -3.574 18.435 -8.521 1.00 0.00 O ATOM 599 CB GLU A 41 -6.905 18.087 -9.111 1.00 0.00 C ATOM 600 CG GLU A 41 -6.571 18.793 -10.398 1.00 0.00 C ATOM 601 CD GLU A 41 -7.814 19.535 -10.918 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.180 20.505 -10.273 1.00 0.00 O ATOM 603 OE2 GLU A 41 -8.334 19.090 -11.928 1.00 0.00 O ATOM 0 H GLU A 41 -7.087 16.810 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.199 16.844 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.712 17.374 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.264 18.808 -8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.755 19.498 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.228 18.073 -11.141 1.00 0.00 H new ATOM 610 N MET A 42 -5.010 18.943 -6.888 1.00 0.00 N ATOM 611 CA MET A 42 -4.090 19.897 -6.191 1.00 0.00 C ATOM 612 C MET A 42 -2.720 19.263 -6.065 1.00 0.00 C ATOM 613 O MET A 42 -1.710 19.879 -6.321 1.00 0.00 O ATOM 614 CB MET A 42 -4.609 20.189 -4.819 1.00 0.00 C ATOM 615 CG MET A 42 -5.900 21.019 -4.886 1.00 0.00 C ATOM 616 SD MET A 42 -5.766 22.729 -5.466 1.00 0.00 S ATOM 617 CE MET A 42 -6.322 22.489 -7.174 1.00 0.00 C ATOM 0 H MET A 42 -5.919 18.832 -6.439 1.00 0.00 H new ATOM 0 HA MET A 42 -4.029 20.821 -6.766 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.800 19.254 -4.292 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.854 20.729 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.602 20.497 -5.537 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.341 21.036 -3.889 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.774 23.162 -7.833 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.138 21.458 -7.475 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.389 22.702 -7.243 1.00 0.00 H new ATOM 627 N TRP A 43 -2.768 18.031 -5.648 1.00 0.00 N ATOM 628 CA TRP A 43 -1.569 17.200 -5.456 1.00 0.00 C ATOM 629 C TRP A 43 -0.732 17.225 -6.722 1.00 0.00 C ATOM 630 O TRP A 43 0.447 17.513 -6.683 1.00 0.00 O ATOM 631 CB TRP A 43 -2.065 15.820 -5.137 1.00 0.00 C ATOM 632 CG TRP A 43 -0.889 14.865 -5.144 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.745 13.910 -6.082 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.151 14.839 -4.291 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.392 13.348 -5.744 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.012 13.830 -4.685 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.450 15.602 -3.167 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.169 13.584 -3.963 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.609 15.354 -2.436 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.473 14.343 -2.837 1.00 0.00 C ATOM 0 H TRP A 43 -3.640 17.551 -5.424 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.932 17.563 -4.649 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.553 15.810 -4.163 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.809 15.508 -5.870 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.400 13.667 -6.905 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.780 12.571 -6.278 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.220 16.391 -2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.840 12.798 -4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.835 15.945 -1.561 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.376 14.147 -2.278 1.00 0.00 H new ATOM 651 N ASN A 44 -1.399 16.929 -7.808 1.00 0.00 N ATOM 652 CA ASN A 44 -0.678 16.915 -9.114 1.00 0.00 C ATOM 653 C ASN A 44 -0.082 18.299 -9.427 1.00 0.00 C ATOM 654 O ASN A 44 0.828 18.409 -10.227 1.00 0.00 O ATOM 655 CB ASN A 44 -1.652 16.473 -10.242 1.00 0.00 C ATOM 656 CG ASN A 44 -2.179 15.059 -9.938 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.456 14.821 -10.050 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.435 14.160 -9.600 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.392 16.701 -7.848 1.00 0.00 H new ATOM 0 HA ASN A 44 0.146 16.204 -9.053 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.483 17.175 -10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.140 16.483 -11.204 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.434 14.333 -9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.811 13.232 -9.407 1.00 0.00 H new ATOM 665 N ASN A 45 -0.625 19.306 -8.780 1.00 0.00 N ATOM 666 CA ASN A 45 -0.150 20.717 -8.976 1.00 0.00 C ATOM 667 C ASN A 45 0.224 21.366 -7.618 1.00 0.00 C ATOM 668 O ASN A 45 0.020 22.555 -7.438 1.00 0.00 O ATOM 669 CB ASN A 45 -1.280 21.540 -9.644 1.00 0.00 C ATOM 670 CG ASN A 45 -2.099 20.650 -10.575 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.336 20.417 -10.230 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.633 20.165 -11.588 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.390 19.208 -8.113 1.00 0.00 H new ATOM 0 HA ASN A 45 0.737 20.706 -9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.926 21.972 -8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.852 22.370 -10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.665 20.355 -11.846 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.210 19.568 -12.180 1.00 0.00 H new ATOM 679 N THR A 46 0.767 20.601 -6.694 1.00 0.00 N ATOM 680 CA THR A 46 1.133 21.201 -5.364 1.00 0.00 C ATOM 681 C THR A 46 2.367 22.094 -5.535 1.00 0.00 C ATOM 682 O THR A 46 2.427 23.181 -4.997 1.00 0.00 O ATOM 683 CB THR A 46 1.406 20.045 -4.326 1.00 0.00 C ATOM 684 OG1 THR A 46 1.707 20.734 -3.120 1.00 0.00 O ATOM 685 CG2 THR A 46 2.677 19.200 -4.570 1.00 0.00 C ATOM 0 H THR A 46 0.970 19.607 -6.799 1.00 0.00 H new ATOM 0 HA THR A 46 0.314 21.813 -4.987 1.00 0.00 H new ATOM 0 HB THR A 46 0.547 19.375 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.440 20.277 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.761 18.438 -3.796 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.613 18.720 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.555 19.846 -4.540 1.00 0.00 H new ATOM 693 N ALA A 47 3.297 21.579 -6.293 1.00 0.00 N ATOM 694 CA ALA A 47 4.584 22.270 -6.601 1.00 0.00 C ATOM 695 C ALA A 47 5.447 21.270 -7.366 1.00 0.00 C ATOM 696 O ALA A 47 5.956 21.569 -8.426 1.00 0.00 O ATOM 697 CB ALA A 47 5.346 22.674 -5.309 1.00 0.00 C ATOM 0 H ALA A 47 3.211 20.662 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 47 4.379 23.178 -7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.277 23.174 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.728 23.350 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.569 21.782 -4.724 1.00 0.00 H new ATOM 703 N ALA A 48 5.548 20.112 -6.753 1.00 0.00 N ATOM 704 CA ALA A 48 6.325 18.914 -7.226 1.00 0.00 C ATOM 705 C ALA A 48 7.624 18.945 -6.408 1.00 0.00 C ATOM 706 O ALA A 48 8.337 17.967 -6.318 1.00 0.00 O ATOM 707 CB ALA A 48 6.710 18.961 -8.733 1.00 0.00 C ATOM 0 H ALA A 48 5.079 19.938 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 48 5.716 18.019 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.268 18.062 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.805 19.015 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.327 19.839 -8.924 1.00 0.00 H new ATOM 713 N ASP A 49 7.864 20.101 -5.836 1.00 0.00 N ATOM 714 CA ASP A 49 9.044 20.401 -4.988 1.00 0.00 C ATOM 715 C ASP A 49 8.543 20.388 -3.528 1.00 0.00 C ATOM 716 O ASP A 49 9.314 20.467 -2.591 1.00 0.00 O ATOM 717 CB ASP A 49 9.581 21.787 -5.400 1.00 0.00 C ATOM 718 CG ASP A 49 10.768 22.200 -4.511 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.773 21.509 -4.578 1.00 0.00 O ATOM 720 OD2 ASP A 49 10.604 23.185 -3.810 1.00 0.00 O ATOM 0 H ASP A 49 7.237 20.899 -5.938 1.00 0.00 H new ATOM 0 HA ASP A 49 9.853 19.680 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.893 21.765 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.786 22.528 -5.320 1.00 0.00 H new ATOM 725 N ASP A 50 7.239 20.281 -3.412 1.00 0.00 N ATOM 726 CA ASP A 50 6.517 20.239 -2.106 1.00 0.00 C ATOM 727 C ASP A 50 6.017 18.792 -1.943 1.00 0.00 C ATOM 728 O ASP A 50 5.453 18.438 -0.926 1.00 0.00 O ATOM 729 CB ASP A 50 5.319 21.213 -2.143 1.00 0.00 C ATOM 730 CG ASP A 50 4.551 21.166 -0.809 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.133 21.598 0.173 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.424 20.695 -0.843 1.00 0.00 O ATOM 0 H ASP A 50 6.617 20.218 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 50 7.162 20.533 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.672 22.227 -2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.652 20.949 -2.964 1.00 0.00 H new ATOM 737 N LYS A 51 6.254 17.993 -2.958 1.00 0.00 N ATOM 738 CA LYS A 51 5.831 16.571 -2.931 1.00 0.00 C ATOM 739 C LYS A 51 7.013 15.891 -2.287 1.00 0.00 C ATOM 740 O LYS A 51 6.810 15.142 -1.363 1.00 0.00 O ATOM 741 CB LYS A 51 5.657 15.959 -4.329 1.00 0.00 C ATOM 742 CG LYS A 51 4.406 16.487 -5.022 1.00 0.00 C ATOM 743 CD LYS A 51 4.259 15.737 -6.361 1.00 0.00 C ATOM 744 CE LYS A 51 2.974 16.179 -7.073 1.00 0.00 C ATOM 745 NZ LYS A 51 2.952 15.638 -8.460 1.00 0.00 N ATOM 0 H LYS A 51 6.731 18.279 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 51 4.871 16.461 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.533 16.185 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.597 14.874 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.527 16.329 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.487 17.561 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.123 15.936 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.235 14.662 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.102 15.826 -6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.917 17.267 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.313 16.212 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.911 15.670 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.616 14.654 -8.443 1.00 0.00 H new ATOM 759 N GLN A 52 8.192 16.169 -2.799 1.00 0.00 N ATOM 760 CA GLN A 52 9.459 15.577 -2.260 1.00 0.00 C ATOM 761 C GLN A 52 9.380 15.074 -0.796 1.00 0.00 C ATOM 762 O GLN A 52 9.567 13.893 -0.595 1.00 0.00 O ATOM 763 CB GLN A 52 10.590 16.647 -2.406 1.00 0.00 C ATOM 764 CG GLN A 52 11.451 16.355 -3.658 1.00 0.00 C ATOM 765 CD GLN A 52 10.701 16.688 -4.953 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.974 17.683 -5.592 1.00 0.00 O ATOM 767 NE2 GLN A 52 9.749 15.900 -5.377 1.00 0.00 N ATOM 0 H GLN A 52 8.330 16.799 -3.589 1.00 0.00 H new ATOM 0 HA GLN A 52 9.665 14.680 -2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.151 17.642 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.219 16.644 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.371 16.937 -3.611 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.739 15.304 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.509 15.060 -4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.246 16.124 -6.235 1.00 0.00 H new ATOM 776 N PRO A 53 9.103 15.922 0.174 1.00 0.00 N ATOM 777 CA PRO A 53 8.933 15.516 1.607 1.00 0.00 C ATOM 778 C PRO A 53 8.065 14.265 1.816 1.00 0.00 C ATOM 779 O PRO A 53 8.415 13.354 2.542 1.00 0.00 O ATOM 780 CB PRO A 53 8.351 16.769 2.280 1.00 0.00 C ATOM 781 CG PRO A 53 7.806 17.605 1.095 1.00 0.00 C ATOM 782 CD PRO A 53 8.883 17.387 0.030 1.00 0.00 C ATOM 0 HA PRO A 53 9.882 15.205 2.044 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.561 16.513 2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.113 17.314 2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.828 17.255 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.696 18.658 1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.542 17.660 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.786 17.965 0.227 1.00 0.00 H new ATOM 790 N TYR A 54 6.950 14.292 1.143 1.00 0.00 N ATOM 791 CA TYR A 54 5.945 13.181 1.200 1.00 0.00 C ATOM 792 C TYR A 54 6.369 12.025 0.291 1.00 0.00 C ATOM 793 O TYR A 54 6.449 10.883 0.704 1.00 0.00 O ATOM 794 CB TYR A 54 4.579 13.723 0.740 1.00 0.00 C ATOM 795 CG TYR A 54 4.079 14.866 1.643 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.004 14.709 3.014 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.689 16.071 1.089 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.547 15.734 3.814 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.230 17.097 1.890 1.00 0.00 C ATOM 800 CZ TYR A 54 3.154 16.937 3.260 1.00 0.00 C ATOM 801 OH TYR A 54 2.694 17.962 4.064 1.00 0.00 O ATOM 0 H TYR A 54 6.680 15.064 0.533 1.00 0.00 H new ATOM 0 HA TYR A 54 5.879 12.810 2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.658 14.080 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.849 12.914 0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.306 13.774 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.744 16.211 0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.496 15.595 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.928 18.032 1.442 1.00 0.00 H new ATOM 0 HH TYR A 54 1.960 17.634 4.625 1.00 0.00 H new ATOM 811 N GLU A 55 6.620 12.376 -0.941 1.00 0.00 N ATOM 812 CA GLU A 55 7.046 11.390 -1.973 1.00 0.00 C ATOM 813 C GLU A 55 8.197 10.490 -1.516 1.00 0.00 C ATOM 814 O GLU A 55 8.089 9.283 -1.575 1.00 0.00 O ATOM 815 CB GLU A 55 7.450 12.175 -3.246 1.00 0.00 C ATOM 816 CG GLU A 55 6.606 11.684 -4.438 1.00 0.00 C ATOM 817 CD GLU A 55 7.088 12.350 -5.744 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.982 13.565 -5.822 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.542 11.605 -6.596 1.00 0.00 O ATOM 0 H GLU A 55 6.545 13.334 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 55 6.208 10.720 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.296 13.243 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.511 12.032 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.682 10.600 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.555 11.917 -4.269 1.00 0.00 H new ATOM 826 N LYS A 56 9.262 11.108 -1.076 1.00 0.00 N ATOM 827 CA LYS A 56 10.467 10.369 -0.597 1.00 0.00 C ATOM 828 C LYS A 56 10.073 9.253 0.383 1.00 0.00 C ATOM 829 O LYS A 56 10.683 8.201 0.389 1.00 0.00 O ATOM 830 CB LYS A 56 11.418 11.381 0.085 1.00 0.00 C ATOM 831 CG LYS A 56 12.835 10.774 0.259 1.00 0.00 C ATOM 832 CD LYS A 56 13.714 11.804 1.012 1.00 0.00 C ATOM 833 CE LYS A 56 15.192 11.361 1.045 1.00 0.00 C ATOM 834 NZ LYS A 56 15.760 11.349 -0.335 1.00 0.00 N ATOM 0 H LYS A 56 9.348 12.123 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 56 10.968 9.897 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.478 12.290 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.017 11.665 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.782 9.839 0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.271 10.541 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.634 12.777 0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.345 11.924 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.768 12.038 1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.271 10.368 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.799 11.335 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.427 10.503 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.450 12.201 -0.845 1.00 0.00 H new ATOM 848 N LYS A 57 9.052 9.500 1.176 1.00 0.00 N ATOM 849 CA LYS A 57 8.633 8.448 2.154 1.00 0.00 C ATOM 850 C LYS A 57 7.889 7.362 1.383 1.00 0.00 C ATOM 851 O LYS A 57 8.278 6.212 1.430 1.00 0.00 O ATOM 852 CB LYS A 57 7.693 9.032 3.238 1.00 0.00 C ATOM 853 CG LYS A 57 8.419 10.117 4.075 1.00 0.00 C ATOM 854 CD LYS A 57 7.931 10.044 5.544 1.00 0.00 C ATOM 855 CE LYS A 57 8.499 11.226 6.353 1.00 0.00 C ATOM 856 NZ LYS A 57 7.849 12.496 5.924 1.00 0.00 N ATOM 0 H LYS A 57 8.506 10.361 1.188 1.00 0.00 H new ATOM 0 HA LYS A 57 9.516 8.049 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.810 9.462 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.347 8.233 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.498 9.966 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.218 11.106 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.842 10.063 5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.246 9.102 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.331 11.063 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.577 11.292 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.025 13.234 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.243 12.796 5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.825 12.346 5.826 1.00 0.00 H new ATOM 870 N ALA A 58 6.839 7.755 0.699 1.00 0.00 N ATOM 871 CA ALA A 58 6.024 6.782 -0.111 1.00 0.00 C ATOM 872 C ALA A 58 6.961 5.804 -0.836 1.00 0.00 C ATOM 873 O ALA A 58 6.795 4.600 -0.772 1.00 0.00 O ATOM 874 CB ALA A 58 5.184 7.555 -1.132 1.00 0.00 C ATOM 0 H ALA A 58 6.506 8.718 0.665 1.00 0.00 H new ATOM 0 HA ALA A 58 5.363 6.218 0.547 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.592 6.855 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.519 8.243 -0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.843 8.119 -1.793 1.00 0.00 H new ATOM 880 N ALA A 59 7.925 6.391 -1.503 1.00 0.00 N ATOM 881 CA ALA A 59 8.941 5.616 -2.268 1.00 0.00 C ATOM 882 C ALA A 59 9.580 4.564 -1.354 1.00 0.00 C ATOM 883 O ALA A 59 9.485 3.386 -1.625 1.00 0.00 O ATOM 884 CB ALA A 59 10.007 6.601 -2.806 1.00 0.00 C ATOM 0 H ALA A 59 8.049 7.402 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 59 8.475 5.098 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.760 6.050 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.530 7.333 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.483 7.114 -1.970 1.00 0.00 H new ATOM 890 N LYS A 60 10.212 5.018 -0.296 1.00 0.00 N ATOM 891 CA LYS A 60 10.877 4.091 0.668 1.00 0.00 C ATOM 892 C LYS A 60 9.980 2.909 1.055 1.00 0.00 C ATOM 893 O LYS A 60 10.434 1.784 1.061 1.00 0.00 O ATOM 894 CB LYS A 60 11.278 4.875 1.945 1.00 0.00 C ATOM 895 CG LYS A 60 12.209 3.987 2.825 1.00 0.00 C ATOM 896 CD LYS A 60 13.621 3.869 2.172 1.00 0.00 C ATOM 897 CE LYS A 60 14.404 2.702 2.796 1.00 0.00 C ATOM 898 NZ LYS A 60 13.759 1.406 2.428 1.00 0.00 N ATOM 0 H LYS A 60 10.294 6.007 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 60 11.760 3.684 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.789 5.799 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.388 5.157 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.297 4.418 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.772 2.996 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.520 3.714 1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.171 4.800 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.436 2.717 2.447 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.432 2.810 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.602 0.840 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.847 1.592 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.378 0.883 1.777 1.00 0.00 H new ATOM 912 N LEU A 61 8.735 3.174 1.368 1.00 0.00 N ATOM 913 CA LEU A 61 7.830 2.041 1.751 1.00 0.00 C ATOM 914 C LEU A 61 7.660 1.091 0.560 1.00 0.00 C ATOM 915 O LEU A 61 7.959 -0.079 0.693 1.00 0.00 O ATOM 916 CB LEU A 61 6.490 2.640 2.204 1.00 0.00 C ATOM 917 CG LEU A 61 6.772 3.723 3.295 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.447 4.136 3.922 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.785 3.237 4.381 1.00 0.00 C ATOM 0 H LEU A 61 8.312 4.102 1.376 1.00 0.00 H new ATOM 0 HA LEU A 61 8.252 1.458 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.968 3.084 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.843 1.860 2.604 1.00 0.00 H new ATOM 0 HG LEU A 61 7.243 4.581 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.626 4.892 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.792 4.546 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.973 3.266 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.943 4.030 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.386 2.355 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.734 2.986 3.907 1.00 0.00 H new ATOM 931 N LYS A 62 7.191 1.593 -0.558 1.00 0.00 N ATOM 932 CA LYS A 62 7.006 0.728 -1.776 1.00 0.00 C ATOM 933 C LYS A 62 8.255 -0.159 -1.961 1.00 0.00 C ATOM 934 O LYS A 62 8.170 -1.354 -2.156 1.00 0.00 O ATOM 935 CB LYS A 62 6.777 1.675 -2.976 1.00 0.00 C ATOM 936 CG LYS A 62 6.740 0.881 -4.305 1.00 0.00 C ATOM 937 CD LYS A 62 6.095 1.734 -5.429 1.00 0.00 C ATOM 938 CE LYS A 62 6.812 3.096 -5.615 1.00 0.00 C ATOM 939 NZ LYS A 62 8.234 2.905 -6.017 1.00 0.00 N ATOM 0 H LYS A 62 6.926 2.570 -0.683 1.00 0.00 H new ATOM 0 HA LYS A 62 6.150 0.060 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.840 2.216 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.572 2.420 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.752 0.594 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.174 -0.041 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.125 1.179 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.045 1.907 -5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.293 3.683 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.767 3.664 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.680 3.832 -6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.741 2.394 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.275 2.355 -6.898 1.00 0.00 H new ATOM 953 N GLU A 63 9.385 0.495 -1.881 1.00 0.00 N ATOM 954 CA GLU A 63 10.712 -0.164 -2.021 1.00 0.00 C ATOM 955 C GLU A 63 10.825 -1.287 -0.980 1.00 0.00 C ATOM 956 O GLU A 63 11.094 -2.415 -1.340 1.00 0.00 O ATOM 957 CB GLU A 63 11.793 0.962 -1.836 1.00 0.00 C ATOM 958 CG GLU A 63 13.268 0.536 -2.119 1.00 0.00 C ATOM 959 CD GLU A 63 13.940 -0.112 -0.885 1.00 0.00 C ATOM 960 OE1 GLU A 63 13.675 -1.278 -0.645 1.00 0.00 O ATOM 961 OE2 GLU A 63 14.691 0.612 -0.247 1.00 0.00 O ATOM 0 H GLU A 63 9.440 1.500 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 63 10.855 -0.632 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.541 1.794 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.731 1.335 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.287 -0.167 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.843 1.409 -2.426 1.00 0.00 H new ATOM 968 N LYS A 64 10.607 -0.969 0.276 1.00 0.00 N ATOM 969 CA LYS A 64 10.712 -2.021 1.339 1.00 0.00 C ATOM 970 C LYS A 64 9.872 -3.250 0.983 1.00 0.00 C ATOM 971 O LYS A 64 10.349 -4.366 1.015 1.00 0.00 O ATOM 972 CB LYS A 64 10.248 -1.411 2.685 1.00 0.00 C ATOM 973 CG LYS A 64 10.430 -2.463 3.817 1.00 0.00 C ATOM 974 CD LYS A 64 10.537 -1.774 5.197 1.00 0.00 C ATOM 975 CE LYS A 64 11.899 -1.042 5.302 1.00 0.00 C ATOM 976 NZ LYS A 64 12.043 -0.417 6.645 1.00 0.00 N ATOM 0 H LYS A 64 10.363 -0.036 0.608 1.00 0.00 H new ATOM 0 HA LYS A 64 11.748 -2.351 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.826 -0.515 2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.203 -1.108 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.587 -3.155 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.327 -3.053 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.719 -1.065 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.446 -2.513 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.713 -1.746 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.971 -0.278 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.960 0.071 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.275 0.269 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.995 -1.154 7.378 1.00 0.00 H new ATOM 990 N TYR A 65 8.637 -2.995 0.641 1.00 0.00 N ATOM 991 CA TYR A 65 7.687 -4.079 0.267 1.00 0.00 C ATOM 992 C TYR A 65 8.354 -4.996 -0.733 1.00 0.00 C ATOM 993 O TYR A 65 8.610 -6.148 -0.460 1.00 0.00 O ATOM 994 CB TYR A 65 6.404 -3.365 -0.288 1.00 0.00 C ATOM 995 CG TYR A 65 5.469 -4.176 -1.233 1.00 0.00 C ATOM 996 CD1 TYR A 65 5.582 -5.534 -1.497 1.00 0.00 C ATOM 997 CD2 TYR A 65 4.464 -3.477 -1.882 1.00 0.00 C ATOM 998 CE1 TYR A 65 4.727 -6.157 -2.379 1.00 0.00 C ATOM 999 CE2 TYR A 65 3.609 -4.105 -2.761 1.00 0.00 C ATOM 1000 CZ TYR A 65 3.734 -5.450 -3.018 1.00 0.00 C ATOM 1001 OH TYR A 65 2.881 -6.079 -3.901 1.00 0.00 O ATOM 0 H TYR A 65 8.239 -2.056 0.605 1.00 0.00 H new ATOM 0 HA TYR A 65 7.399 -4.712 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.811 -3.033 0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.724 -2.470 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.351 -6.110 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.349 -2.420 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.837 -7.214 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.834 -3.536 -3.253 1.00 0.00 H new ATOM 0 HH TYR A 65 2.242 -5.428 -4.258 1.00 0.00 H new ATOM 1011 N GLU A 66 8.621 -4.430 -1.867 1.00 0.00 N ATOM 1012 CA GLU A 66 9.268 -5.168 -2.982 1.00 0.00 C ATOM 1013 C GLU A 66 10.477 -6.039 -2.604 1.00 0.00 C ATOM 1014 O GLU A 66 10.746 -7.022 -3.264 1.00 0.00 O ATOM 1015 CB GLU A 66 9.699 -4.154 -4.000 1.00 0.00 C ATOM 1016 CG GLU A 66 8.494 -3.308 -4.490 1.00 0.00 C ATOM 1017 CD GLU A 66 7.764 -4.008 -5.650 1.00 0.00 C ATOM 1018 OE1 GLU A 66 7.206 -5.064 -5.399 1.00 0.00 O ATOM 1019 OE2 GLU A 66 7.810 -3.441 -6.729 1.00 0.00 O ATOM 0 H GLU A 66 8.412 -3.454 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 66 8.525 -5.874 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.455 -3.499 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.162 -4.659 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.801 -3.144 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.842 -2.327 -4.814 1.00 0.00 H new ATOM 1026 N LYS A 67 11.158 -5.658 -1.557 1.00 0.00 N ATOM 1027 CA LYS A 67 12.362 -6.421 -1.098 1.00 0.00 C ATOM 1028 C LYS A 67 12.055 -7.535 -0.119 1.00 0.00 C ATOM 1029 O LYS A 67 12.746 -8.532 -0.043 1.00 0.00 O ATOM 1030 CB LYS A 67 13.351 -5.438 -0.443 1.00 0.00 C ATOM 1031 CG LYS A 67 14.323 -4.863 -1.483 1.00 0.00 C ATOM 1032 CD LYS A 67 13.609 -4.087 -2.611 1.00 0.00 C ATOM 1033 CE LYS A 67 14.653 -3.554 -3.602 1.00 0.00 C ATOM 1034 NZ LYS A 67 15.380 -4.686 -4.242 1.00 0.00 N ATOM 0 H LYS A 67 10.931 -4.840 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 67 12.784 -6.898 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.801 -4.627 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.911 -5.948 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.030 -4.200 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.903 -5.676 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.903 -4.739 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.034 -3.261 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.165 -2.948 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.359 -2.905 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.823 -4.359 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.115 -5.037 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.710 -5.453 -4.454 1.00 0.00 H new ATOM 1048 N ASP A 68 11.001 -7.303 0.589 1.00 0.00 N ATOM 1049 CA ASP A 68 10.510 -8.245 1.607 1.00 0.00 C ATOM 1050 C ASP A 68 9.674 -9.277 0.909 1.00 0.00 C ATOM 1051 O ASP A 68 9.573 -10.389 1.384 1.00 0.00 O ATOM 1052 CB ASP A 68 9.647 -7.516 2.605 1.00 0.00 C ATOM 1053 CG ASP A 68 10.499 -6.691 3.589 1.00 0.00 C ATOM 1054 OD1 ASP A 68 11.219 -5.821 3.122 1.00 0.00 O ATOM 1055 OD2 ASP A 68 10.376 -6.984 4.768 1.00 0.00 O ATOM 0 H ASP A 68 10.436 -6.459 0.497 1.00 0.00 H new ATOM 0 HA ASP A 68 11.349 -8.705 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.957 -6.857 2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.042 -8.234 3.159 1.00 0.00 H new ATOM 1060 N ILE A 69 9.106 -8.889 -0.205 1.00 0.00 N ATOM 1061 CA ILE A 69 8.272 -9.876 -0.917 1.00 0.00 C ATOM 1062 C ILE A 69 9.194 -10.706 -1.786 1.00 0.00 C ATOM 1063 O ILE A 69 9.108 -11.917 -1.849 1.00 0.00 O ATOM 1064 CB ILE A 69 7.201 -9.102 -1.729 1.00 0.00 C ATOM 1065 CG1 ILE A 69 6.286 -10.078 -2.461 1.00 0.00 C ATOM 1066 CG2 ILE A 69 7.828 -8.200 -2.795 1.00 0.00 C ATOM 1067 CD1 ILE A 69 5.929 -11.255 -1.537 1.00 0.00 C ATOM 0 H ILE A 69 9.184 -7.966 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 69 7.744 -10.553 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 69 6.650 -8.496 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.378 -9.568 -2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.779 -10.447 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.041 -7.678 -3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.483 -7.472 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.408 -8.807 -3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.275 -11.948 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.841 -11.773 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.418 -10.880 -0.651 1.00 0.00 H new ATOM 1079 N ALA A 70 10.072 -10.002 -2.431 1.00 0.00 N ATOM 1080 CA ALA A 70 11.066 -10.656 -3.325 1.00 0.00 C ATOM 1081 C ALA A 70 11.805 -11.693 -2.483 1.00 0.00 C ATOM 1082 O ALA A 70 12.211 -12.712 -2.997 1.00 0.00 O ATOM 1083 CB ALA A 70 12.053 -9.613 -3.859 1.00 0.00 C ATOM 0 H ALA A 70 10.147 -8.986 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 70 10.577 -11.125 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.778 -10.099 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.510 -8.853 -4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.574 -9.144 -3.024 1.00 0.00 H new ATOM 1089 N ALA A 71 11.934 -11.386 -1.212 1.00 0.00 N ATOM 1090 CA ALA A 71 12.627 -12.297 -0.263 1.00 0.00 C ATOM 1091 C ALA A 71 11.648 -13.406 0.140 1.00 0.00 C ATOM 1092 O ALA A 71 11.984 -14.572 0.111 1.00 0.00 O ATOM 1093 CB ALA A 71 13.058 -11.503 0.974 1.00 0.00 C ATOM 0 H ALA A 71 11.580 -10.526 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 71 13.511 -12.735 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.567 -12.167 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.735 -10.703 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.179 -11.074 1.455 1.00 0.00 H new ATOM 1099 N TYR A 72 10.459 -12.994 0.506 1.00 0.00 N ATOM 1100 CA TYR A 72 9.381 -13.950 0.926 1.00 0.00 C ATOM 1101 C TYR A 72 9.295 -15.130 -0.033 1.00 0.00 C ATOM 1102 O TYR A 72 9.125 -16.265 0.365 1.00 0.00 O ATOM 1103 CB TYR A 72 8.034 -13.227 0.943 1.00 0.00 C ATOM 1104 CG TYR A 72 7.516 -13.089 2.380 1.00 0.00 C ATOM 1105 CD1 TYR A 72 8.278 -12.444 3.334 1.00 0.00 C ATOM 1106 CD2 TYR A 72 6.286 -13.604 2.745 1.00 0.00 C ATOM 1107 CE1 TYR A 72 7.819 -12.312 4.625 1.00 0.00 C ATOM 1108 CE2 TYR A 72 5.827 -13.471 4.037 1.00 0.00 C ATOM 1109 CZ TYR A 72 6.590 -12.824 4.987 1.00 0.00 C ATOM 1110 OH TYR A 72 6.131 -12.682 6.281 1.00 0.00 O ATOM 0 H TYR A 72 10.182 -12.013 0.532 1.00 0.00 H new ATOM 0 HA TYR A 72 9.624 -14.321 1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.139 -12.240 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.311 -13.778 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.243 -12.040 3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.680 -14.115 2.011 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.425 -11.804 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.863 -13.876 4.308 1.00 0.00 H new ATOM 0 HH TYR A 72 5.837 -11.758 6.424 1.00 0.00 H new ATOM 1120 N ARG A 73 9.425 -14.784 -1.286 1.00 0.00 N ATOM 1121 CA ARG A 73 9.365 -15.801 -2.358 1.00 0.00 C ATOM 1122 C ARG A 73 10.753 -16.354 -2.608 1.00 0.00 C ATOM 1123 O ARG A 73 10.893 -17.526 -2.908 1.00 0.00 O ATOM 1124 CB ARG A 73 8.792 -15.139 -3.635 1.00 0.00 C ATOM 1125 CG ARG A 73 7.338 -14.657 -3.384 1.00 0.00 C ATOM 1126 CD ARG A 73 6.663 -14.384 -4.743 1.00 0.00 C ATOM 1127 NE ARG A 73 5.227 -14.019 -4.513 1.00 0.00 N ATOM 1128 CZ ARG A 73 4.710 -12.957 -5.074 1.00 0.00 C ATOM 1129 NH1 ARG A 73 4.787 -12.832 -6.372 1.00 0.00 N ATOM 1130 NH2 ARG A 73 4.129 -12.060 -4.329 1.00 0.00 N ATOM 0 H ARG A 73 9.572 -13.828 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 73 8.718 -16.628 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.417 -14.295 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.809 -15.850 -4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.780 -15.413 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.340 -13.753 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.178 -13.576 -5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.729 -15.266 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 73 4.647 -14.605 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.244 -13.555 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.390 -12.011 -6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.081 -12.190 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.722 -11.228 -4.756 1.00 0.00 H new ATOM 1144 N ALA A 74 11.733 -15.495 -2.483 1.00 0.00 N ATOM 1145 CA ALA A 74 13.156 -15.940 -2.702 1.00 0.00 C ATOM 1146 C ALA A 74 13.459 -17.240 -1.933 1.00 0.00 C ATOM 1147 O ALA A 74 14.091 -18.138 -2.452 1.00 0.00 O ATOM 1148 CB ALA A 74 14.143 -14.875 -2.218 1.00 0.00 C ATOM 0 H ALA A 74 11.618 -14.511 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 74 13.271 -16.104 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.163 -15.220 -2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.978 -13.949 -2.768 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.992 -14.696 -1.153 1.00 0.00 H new ATOM 1154 N LYS A 75 12.965 -17.244 -0.717 1.00 0.00 N ATOM 1155 CA LYS A 75 13.095 -18.362 0.276 1.00 0.00 C ATOM 1156 C LYS A 75 12.818 -17.738 1.662 1.00 0.00 C ATOM 1157 O LYS A 75 13.603 -17.784 2.587 1.00 0.00 O ATOM 1158 CB LYS A 75 14.548 -18.984 0.233 1.00 0.00 C ATOM 1159 CG LYS A 75 14.741 -20.061 1.348 1.00 0.00 C ATOM 1160 CD LYS A 75 16.052 -20.848 1.132 1.00 0.00 C ATOM 1161 CE LYS A 75 15.822 -22.023 0.163 1.00 0.00 C ATOM 1162 NZ LYS A 75 14.876 -23.005 0.776 1.00 0.00 N ATOM 0 H LYS A 75 12.436 -16.454 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 75 12.397 -19.169 0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.724 -19.434 -0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.288 -18.193 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.758 -19.579 2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.895 -20.748 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.820 -20.185 0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.420 -21.223 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.418 -21.655 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.770 -22.510 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.092 -23.960 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.976 -22.984 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.900 -22.755 0.518 1.00 0.00 H new ATOM 1176 N GLY A 76 11.657 -17.150 1.738 1.00 0.00 N ATOM 1177 CA GLY A 76 11.179 -16.490 2.982 1.00 0.00 C ATOM 1178 C GLY A 76 9.798 -17.091 3.175 1.00 0.00 C ATOM 1179 O GLY A 76 8.797 -16.398 3.190 1.00 0.00 O ATOM 0 H GLY A 76 10.998 -17.099 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.833 -16.700 3.828 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.137 -15.406 2.874 1.00 0.00 H new ATOM 1183 N LYS A 77 9.820 -18.390 3.317 1.00 0.00 N ATOM 1184 CA LYS A 77 8.579 -19.181 3.508 1.00 0.00 C ATOM 1185 C LYS A 77 8.545 -19.703 4.958 1.00 0.00 C ATOM 1186 O LYS A 77 9.553 -19.650 5.639 1.00 0.00 O ATOM 1187 CB LYS A 77 8.607 -20.346 2.474 1.00 0.00 C ATOM 1188 CG LYS A 77 9.089 -19.794 1.092 1.00 0.00 C ATOM 1189 CD LYS A 77 9.056 -20.869 -0.019 1.00 0.00 C ATOM 1190 CE LYS A 77 7.604 -21.138 -0.457 1.00 0.00 C ATOM 1191 NZ LYS A 77 7.578 -22.159 -1.543 1.00 0.00 N ATOM 0 H LYS A 77 10.674 -18.947 3.307 1.00 0.00 H new ATOM 0 HA LYS A 77 7.681 -18.584 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.275 -21.136 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.615 -20.787 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.458 -18.955 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.104 -19.410 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.646 -20.537 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.511 -21.791 0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.018 -21.485 0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.144 -20.213 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.594 -22.334 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.122 -21.812 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.000 -23.045 -1.197 1.00 0.00 H new ATOM 1205 N PRO A 78 7.408 -20.196 5.395 1.00 0.00 N ATOM 1206 CA PRO A 78 7.197 -20.602 6.814 1.00 0.00 C ATOM 1207 C PRO A 78 8.139 -21.741 7.225 1.00 0.00 C ATOM 1208 O PRO A 78 8.442 -21.921 8.390 1.00 0.00 O ATOM 1209 CB PRO A 78 5.698 -20.969 6.873 1.00 0.00 C ATOM 1210 CG PRO A 78 5.097 -20.203 5.660 1.00 0.00 C ATOM 1211 CD PRO A 78 6.168 -20.408 4.591 1.00 0.00 C ATOM 0 HA PRO A 78 7.436 -19.816 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.543 -22.044 6.787 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.243 -20.656 7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.134 -20.612 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.939 -19.148 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 78 6.127 -21.404 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.078 -19.693 3.773 1.00 0.00 H new ATOM 1219 N ASP A 79 8.557 -22.471 6.227 1.00 0.00 N ATOM 1220 CA ASP A 79 9.478 -23.629 6.421 1.00 0.00 C ATOM 1221 C ASP A 79 10.779 -23.489 5.600 1.00 0.00 C ATOM 1222 O ASP A 79 11.155 -24.381 4.862 1.00 0.00 O ATOM 1223 CB ASP A 79 8.669 -24.896 6.041 1.00 0.00 C ATOM 1224 CG ASP A 79 7.969 -24.678 4.682 1.00 0.00 C ATOM 1225 OD1 ASP A 79 8.676 -24.621 3.690 1.00 0.00 O ATOM 1226 OD2 ASP A 79 6.754 -24.574 4.722 1.00 0.00 O ATOM 0 H ASP A 79 8.290 -22.308 5.256 1.00 0.00 H new ATOM 0 HA ASP A 79 9.817 -23.685 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.332 -25.759 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 79 7.929 -25.112 6.812 1.00 0.00 H new ATOM 1231 N ALA A 80 11.433 -22.366 5.762 1.00 0.00 N ATOM 1232 CA ALA A 80 12.713 -22.103 5.029 1.00 0.00 C ATOM 1233 C ALA A 80 13.927 -22.292 5.954 1.00 0.00 C ATOM 1234 O ALA A 80 14.916 -22.872 5.549 1.00 0.00 O ATOM 1235 CB ALA A 80 12.686 -20.665 4.491 1.00 0.00 C ATOM 0 H ALA A 80 11.132 -21.611 6.378 1.00 0.00 H new ATOM 0 HA ALA A 80 12.805 -22.812 4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 80 13.612 -20.460 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.841 -20.546 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.586 -19.967 5.322 1.00 0.00 H new ATOM 1241 N ALA A 81 13.808 -21.800 7.164 1.00 0.00 N ATOM 1242 CA ALA A 81 14.908 -21.900 8.185 1.00 0.00 C ATOM 1243 C ALA A 81 16.288 -21.541 7.571 1.00 0.00 C ATOM 1244 O ALA A 81 17.170 -22.384 7.534 1.00 0.00 O ATOM 1245 CB ALA A 81 14.887 -23.353 8.753 1.00 0.00 C ATOM 1246 OXT ALA A 81 16.377 -20.396 7.158 1.00 0.00 O ATOM 0 H ALA A 81 12.973 -21.320 7.498 1.00 0.00 H new ATOM 0 HA ALA A 81 14.745 -21.183 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.674 -23.463 9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.919 -23.549 9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.053 -24.063 7.943 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -9.048 10.285 1.540 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.557 10.346 1.182 1.00 0.00 C HETATM 1255 O1 BME A 82 -9.401 11.639 1.795 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.440 11.023 2.437 1.00 0.00 S HETATM 0 HO1 BME A 82 -8.648 12.098 2.222 1.00 0.00 H new HETATM 0 H22 BME A 82 -7.224 9.336 0.941 1.00 0.00 H new HETATM 0 H21 BME A 82 -7.450 10.942 0.276 1.00 0.00 H new HETATM 0 H12 BME A 82 -9.637 9.867 0.724 1.00 0.00 H new HETATM 0 H11 BME A 82 -9.223 9.657 2.413 1.00 0.00 H new