USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=19 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 44 ASN :FLIP amide:sc= -0.481 F(o=-3,f=-1.8) USER MOD Set 1.2: A 45 ASN : amide:sc= -1.31 K(o=-1.8,f=-3) USER MOD Single : A 3 ASN : amide:sc= -0.395 X(o=-0.39,f=0.098) USER MOD Single : A 6 LYS NZ :NH3+ 126:sc= -0.0634 (180deg=-0.571) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 85:sc= 0.0138 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.111) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.0026) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= -0.0828 (180deg=-0.0854) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc=-0.00222 (180deg=-0.198) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.294 F(o=-2.1,f=-0.29) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0878) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0263 (180deg=-0.371) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 173:sc=-0.00565 (180deg=-0.15) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 142:sc= 0.194 (180deg=-0.948) USER MOD Single : A 82 BME O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 0.674 -10.088 5.875 1.00 0.00 N ATOM 2 CA ASN A 3 0.458 -11.184 4.858 1.00 0.00 C ATOM 3 C ASN A 3 -0.022 -10.687 3.472 1.00 0.00 C ATOM 4 O ASN A 3 -1.185 -10.800 3.137 1.00 0.00 O ATOM 5 CB ASN A 3 -0.565 -12.195 5.464 1.00 0.00 C ATOM 6 CG ASN A 3 -0.692 -13.463 4.588 1.00 0.00 C ATOM 7 OD1 ASN A 3 -1.086 -13.423 3.439 1.00 0.00 O ATOM 8 ND2 ASN A 3 -0.364 -14.620 5.093 1.00 0.00 N ATOM 0 HA ASN A 3 1.423 -11.652 4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.250 -12.475 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -1.540 -11.716 5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.441 -15.464 4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.030 -14.680 6.055 1.00 0.00 H new ATOM 15 N ALA A 4 0.930 -10.141 2.751 1.00 0.00 N ATOM 16 CA ALA A 4 0.773 -9.572 1.369 1.00 0.00 C ATOM 17 C ALA A 4 0.563 -8.061 1.487 1.00 0.00 C ATOM 18 O ALA A 4 -0.558 -7.590 1.540 1.00 0.00 O ATOM 19 CB ALA A 4 -0.438 -10.176 0.603 1.00 0.00 C ATOM 0 H ALA A 4 1.886 -10.062 3.097 1.00 0.00 H new ATOM 0 HA ALA A 4 1.675 -9.817 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.502 -9.728 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.306 -11.254 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.356 -9.971 1.154 1.00 0.00 H new ATOM 25 N PRO A 5 1.655 -7.327 1.529 1.00 0.00 N ATOM 26 CA PRO A 5 1.608 -5.847 1.563 1.00 0.00 C ATOM 27 C PRO A 5 1.155 -5.406 0.165 1.00 0.00 C ATOM 28 O PRO A 5 1.854 -5.572 -0.814 1.00 0.00 O ATOM 29 CB PRO A 5 3.041 -5.426 1.933 1.00 0.00 C ATOM 30 CG PRO A 5 3.690 -6.742 2.460 1.00 0.00 C ATOM 31 CD PRO A 5 3.057 -7.821 1.575 1.00 0.00 C ATOM 0 HA PRO A 5 0.920 -5.395 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.578 -5.033 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.045 -4.645 2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.775 -6.724 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.470 -6.906 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.514 -7.870 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.134 -8.817 2.012 1.00 0.00 H new ATOM 39 N LYS A 6 -0.023 -4.854 0.131 1.00 0.00 N ATOM 40 CA LYS A 6 -0.623 -4.369 -1.142 1.00 0.00 C ATOM 41 C LYS A 6 0.059 -3.065 -1.527 1.00 0.00 C ATOM 42 O LYS A 6 0.531 -2.327 -0.684 1.00 0.00 O ATOM 43 CB LYS A 6 -2.171 -4.147 -0.955 1.00 0.00 C ATOM 44 CG LYS A 6 -2.641 -4.188 0.536 1.00 0.00 C ATOM 45 CD LYS A 6 -2.051 -3.023 1.381 1.00 0.00 C ATOM 46 CE LYS A 6 -2.737 -1.692 1.032 1.00 0.00 C ATOM 47 NZ LYS A 6 -4.177 -1.748 1.423 1.00 0.00 N ATOM 0 H LYS A 6 -0.610 -4.715 0.953 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.479 -5.106 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.445 -3.184 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.708 -4.911 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.729 -4.143 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.347 -5.139 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.180 -3.236 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.979 -2.943 1.200 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.242 -0.870 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.648 -1.496 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.401 -0.940 2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.770 -1.708 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.364 -2.635 1.934 1.00 0.00 H new ATOM 61 N ARG A 7 0.079 -2.843 -2.812 1.00 0.00 N ATOM 62 CA ARG A 7 0.712 -1.625 -3.380 1.00 0.00 C ATOM 63 C ARG A 7 0.291 -0.318 -2.651 1.00 0.00 C ATOM 64 O ARG A 7 -0.826 0.133 -2.827 1.00 0.00 O ATOM 65 CB ARG A 7 0.356 -1.603 -4.890 1.00 0.00 C ATOM 66 CG ARG A 7 1.112 -0.475 -5.627 1.00 0.00 C ATOM 67 CD ARG A 7 1.025 -0.740 -7.143 1.00 0.00 C ATOM 68 NE ARG A 7 1.736 0.362 -7.858 1.00 0.00 N ATOM 69 CZ ARG A 7 1.126 1.056 -8.782 1.00 0.00 C ATOM 70 NH1 ARG A 7 -0.034 1.594 -8.519 1.00 0.00 N ATOM 71 NH2 ARG A 7 1.703 1.186 -9.944 1.00 0.00 N ATOM 0 H ARG A 7 -0.327 -3.471 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 7 1.792 -1.666 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.605 -2.565 -5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.718 -1.463 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.676 0.494 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.153 -0.444 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.476 -1.702 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.017 -0.787 -7.460 1.00 0.00 H new ATOM 0 HE ARG A 7 2.706 0.575 -7.623 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.456 1.471 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.518 2.138 -9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.610 0.751 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.248 1.723 -10.682 1.00 0.00 H new ATOM 85 N PRO A 8 1.186 0.239 -1.859 1.00 0.00 N ATOM 86 CA PRO A 8 0.886 1.322 -0.867 1.00 0.00 C ATOM 87 C PRO A 8 0.349 2.634 -1.498 1.00 0.00 C ATOM 88 O PRO A 8 0.137 2.678 -2.693 1.00 0.00 O ATOM 89 CB PRO A 8 2.225 1.500 -0.122 1.00 0.00 C ATOM 90 CG PRO A 8 3.260 1.140 -1.199 1.00 0.00 C ATOM 91 CD PRO A 8 2.641 -0.107 -1.835 1.00 0.00 C ATOM 0 HA PRO A 8 0.066 1.051 -0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.355 2.520 0.240 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.297 0.843 0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.391 1.944 -1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.240 0.934 -0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.032 -0.290 -2.836 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.837 -1.004 -1.247 1.00 0.00 H new ATOM 99 N PRO A 9 0.132 3.652 -0.680 1.00 0.00 N ATOM 100 CA PRO A 9 -0.035 5.085 -1.078 1.00 0.00 C ATOM 101 C PRO A 9 0.517 5.594 -2.429 1.00 0.00 C ATOM 102 O PRO A 9 1.202 4.902 -3.157 1.00 0.00 O ATOM 103 CB PRO A 9 0.550 5.857 0.146 1.00 0.00 C ATOM 104 CG PRO A 9 0.906 4.761 1.200 1.00 0.00 C ATOM 105 CD PRO A 9 0.029 3.572 0.803 1.00 0.00 C ATOM 0 HA PRO A 9 -1.089 5.252 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.433 6.430 -0.137 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.175 6.565 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.965 4.505 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.689 5.096 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.406 2.628 1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.997 3.676 1.155 1.00 0.00 H new ATOM 113 N SER A 10 0.193 6.837 -2.706 1.00 0.00 N ATOM 114 CA SER A 10 0.630 7.501 -3.976 1.00 0.00 C ATOM 115 C SER A 10 1.796 8.468 -3.738 1.00 0.00 C ATOM 116 O SER A 10 2.854 8.315 -4.315 1.00 0.00 O ATOM 117 CB SER A 10 -0.572 8.272 -4.565 1.00 0.00 C ATOM 118 OG SER A 10 -1.566 7.278 -4.758 1.00 0.00 O ATOM 0 H SER A 10 -0.367 7.429 -2.093 1.00 0.00 H new ATOM 0 HA SER A 10 0.975 6.735 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.916 9.052 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.310 8.760 -5.504 1.00 0.00 H new ATOM 0 HG SER A 10 -2.372 7.690 -5.132 1.00 0.00 H new ATOM 124 N ALA A 11 1.537 9.423 -2.883 1.00 0.00 N ATOM 125 CA ALA A 11 2.492 10.505 -2.472 1.00 0.00 C ATOM 126 C ALA A 11 1.606 11.598 -1.892 1.00 0.00 C ATOM 127 O ALA A 11 1.893 12.201 -0.878 1.00 0.00 O ATOM 128 CB ALA A 11 3.241 11.095 -3.664 1.00 0.00 C ATOM 0 H ALA A 11 0.632 9.501 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 11 3.238 10.112 -1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.920 11.874 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.812 10.310 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.526 11.523 -4.367 1.00 0.00 H new ATOM 134 N PHE A 12 0.524 11.811 -2.593 1.00 0.00 N ATOM 135 CA PHE A 12 -0.458 12.835 -2.173 1.00 0.00 C ATOM 136 C PHE A 12 -1.195 12.249 -1.003 1.00 0.00 C ATOM 137 O PHE A 12 -1.684 12.985 -0.180 1.00 0.00 O ATOM 138 CB PHE A 12 -1.321 13.144 -3.424 1.00 0.00 C ATOM 139 CG PHE A 12 -2.821 12.871 -3.555 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.738 12.822 -2.523 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.278 12.735 -4.848 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.077 12.652 -2.780 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.614 12.565 -5.104 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.519 12.520 -4.073 1.00 0.00 C ATOM 0 H PHE A 12 0.282 11.310 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.045 13.786 -1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.195 14.209 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.849 12.612 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.398 12.918 -1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.576 12.763 -5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.783 12.622 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.957 12.466 -6.123 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.570 12.382 -4.277 1.00 0.00 H new ATOM 154 N PHE A 13 -1.256 10.944 -0.945 1.00 0.00 N ATOM 155 CA PHE A 13 -1.958 10.257 0.178 1.00 0.00 C ATOM 156 C PHE A 13 -1.567 10.911 1.523 1.00 0.00 C ATOM 157 O PHE A 13 -2.415 11.209 2.340 1.00 0.00 O ATOM 158 CB PHE A 13 -1.560 8.785 0.193 1.00 0.00 C ATOM 159 CG PHE A 13 -2.456 8.073 1.214 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.732 7.686 0.857 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.011 7.829 2.498 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.558 7.064 1.767 1.00 0.00 C ATOM 163 CE2 PHE A 13 -2.835 7.208 3.411 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.110 6.825 3.047 1.00 0.00 C ATOM 0 H PHE A 13 -0.844 10.318 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.035 10.346 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.683 8.345 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.510 8.675 0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.086 7.873 -0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.014 8.126 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.554 6.765 1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.482 7.020 4.414 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.755 6.339 3.764 1.00 0.00 H new ATOM 174 N LEU A 14 -0.283 11.124 1.702 1.00 0.00 N ATOM 175 CA LEU A 14 0.228 11.747 2.959 1.00 0.00 C ATOM 176 C LEU A 14 -0.508 13.087 3.147 1.00 0.00 C ATOM 177 O LEU A 14 -1.201 13.306 4.121 1.00 0.00 O ATOM 178 CB LEU A 14 1.776 11.974 2.843 1.00 0.00 C ATOM 179 CG LEU A 14 2.652 10.667 2.664 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.230 9.508 3.584 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.746 10.183 1.205 1.00 0.00 C ATOM 0 H LEU A 14 0.438 10.888 1.020 1.00 0.00 H new ATOM 0 HA LEU A 14 0.048 11.101 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.965 12.634 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.116 12.497 3.737 1.00 0.00 H new ATOM 0 HG LEU A 14 3.649 10.982 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.875 8.648 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.320 9.818 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.195 9.236 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.361 9.284 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.747 9.959 0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.197 10.963 0.591 1.00 0.00 H new ATOM 193 N PHE A 15 -0.316 13.944 2.175 1.00 0.00 N ATOM 194 CA PHE A 15 -0.952 15.302 2.161 1.00 0.00 C ATOM 195 C PHE A 15 -2.443 15.150 2.537 1.00 0.00 C ATOM 196 O PHE A 15 -2.902 15.715 3.507 1.00 0.00 O ATOM 197 CB PHE A 15 -0.676 15.861 0.716 1.00 0.00 C ATOM 198 CG PHE A 15 -1.486 17.055 0.138 1.00 0.00 C ATOM 199 CD1 PHE A 15 -2.871 17.108 0.149 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.804 18.095 -0.477 1.00 0.00 C ATOM 201 CE1 PHE A 15 -3.544 18.158 -0.442 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.484 19.140 -1.067 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.852 19.173 -1.051 1.00 0.00 C ATOM 0 H PHE A 15 0.274 13.754 1.365 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.553 16.010 2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.376 16.146 0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.803 15.028 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.431 16.317 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.276 18.086 -0.494 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.624 18.180 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.933 19.937 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.382 19.992 -1.514 1.00 0.00 H new ATOM 213 N CYS A 16 -3.137 14.365 1.754 1.00 0.00 N ATOM 214 CA CYS A 16 -4.595 14.090 1.948 1.00 0.00 C ATOM 215 C CYS A 16 -4.945 13.783 3.391 1.00 0.00 C ATOM 216 O CYS A 16 -5.871 14.352 3.922 1.00 0.00 O ATOM 217 CB CYS A 16 -5.010 12.916 1.062 1.00 0.00 C ATOM 218 SG CYS A 16 -6.675 12.254 1.323 1.00 0.00 S ATOM 0 H CYS A 16 -2.734 13.882 0.952 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.137 14.994 1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.927 13.228 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.294 12.107 1.210 1.00 0.00 H new ATOM 223 N SER A 17 -4.211 12.887 3.990 1.00 0.00 N ATOM 224 CA SER A 17 -4.487 12.532 5.409 1.00 0.00 C ATOM 225 C SER A 17 -4.498 13.795 6.286 1.00 0.00 C ATOM 226 O SER A 17 -5.378 14.003 7.099 1.00 0.00 O ATOM 227 CB SER A 17 -3.402 11.550 5.880 1.00 0.00 C ATOM 228 OG SER A 17 -3.747 11.244 7.225 1.00 0.00 O ATOM 0 H SER A 17 -3.434 12.386 3.559 1.00 0.00 H new ATOM 0 HA SER A 17 -5.468 12.065 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.386 10.652 5.262 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.410 11.997 5.818 1.00 0.00 H new ATOM 0 HG SER A 17 -3.093 10.615 7.595 1.00 0.00 H new ATOM 234 N GLU A 18 -3.487 14.587 6.056 1.00 0.00 N ATOM 235 CA GLU A 18 -3.275 15.875 6.782 1.00 0.00 C ATOM 236 C GLU A 18 -4.093 17.042 6.174 1.00 0.00 C ATOM 237 O GLU A 18 -3.974 18.183 6.579 1.00 0.00 O ATOM 238 CB GLU A 18 -1.771 16.131 6.704 1.00 0.00 C ATOM 239 CG GLU A 18 -1.352 17.367 7.513 1.00 0.00 C ATOM 240 CD GLU A 18 0.184 17.500 7.489 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.820 16.638 8.076 1.00 0.00 O ATOM 242 OE2 GLU A 18 0.643 18.456 6.885 1.00 0.00 O ATOM 0 H GLU A 18 -2.767 14.384 5.363 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.624 15.810 7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.235 15.257 7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.480 16.265 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.812 18.262 7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.704 17.279 8.541 1.00 0.00 H new ATOM 249 N TYR A 19 -4.917 16.707 5.220 1.00 0.00 N ATOM 250 CA TYR A 19 -5.777 17.714 4.522 1.00 0.00 C ATOM 251 C TYR A 19 -7.260 17.531 4.766 1.00 0.00 C ATOM 252 O TYR A 19 -7.964 18.512 4.875 1.00 0.00 O ATOM 253 CB TYR A 19 -5.517 17.627 3.020 1.00 0.00 C ATOM 254 CG TYR A 19 -4.533 18.712 2.584 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.211 18.685 2.970 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.975 19.729 1.771 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.339 19.656 2.546 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.106 20.710 1.343 1.00 0.00 C ATOM 259 CZ TYR A 19 -2.775 20.680 1.728 1.00 0.00 C ATOM 260 OH TYR A 19 -1.886 21.644 1.299 1.00 0.00 O ATOM 0 H TYR A 19 -5.035 15.751 4.884 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.508 18.688 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.118 16.644 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.455 17.738 2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.857 17.892 3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.010 19.760 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.305 19.619 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.464 21.505 0.705 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.420 21.326 0.497 1.00 0.00 H new ATOM 270 N ARG A 20 -7.688 16.295 4.834 1.00 0.00 N ATOM 271 CA ARG A 20 -9.127 15.962 5.066 1.00 0.00 C ATOM 272 C ARG A 20 -9.891 17.067 5.798 1.00 0.00 C ATOM 273 O ARG A 20 -10.784 17.635 5.214 1.00 0.00 O ATOM 274 CB ARG A 20 -9.240 14.610 5.861 1.00 0.00 C ATOM 275 CG ARG A 20 -9.011 13.456 4.853 1.00 0.00 C ATOM 276 CD ARG A 20 -9.489 12.095 5.398 1.00 0.00 C ATOM 277 NE ARG A 20 -8.651 11.696 6.565 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.215 11.178 7.624 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.904 11.943 8.425 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.064 9.901 7.834 1.00 0.00 N ATOM 0 H ARG A 20 -7.082 15.481 4.735 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.590 15.861 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.500 14.573 6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.220 14.521 6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.538 13.678 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.950 13.395 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.536 12.159 5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.425 11.337 4.617 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.640 11.827 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.000 12.938 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.347 11.546 9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.519 9.338 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.491 9.465 8.651 1.00 0.00 H new ATOM 294 N PRO A 21 -9.538 17.398 7.017 1.00 0.00 N ATOM 295 CA PRO A 21 -10.433 18.156 7.927 1.00 0.00 C ATOM 296 C PRO A 21 -10.337 19.670 7.641 1.00 0.00 C ATOM 297 O PRO A 21 -11.065 20.468 8.201 1.00 0.00 O ATOM 298 CB PRO A 21 -9.939 17.764 9.328 1.00 0.00 C ATOM 299 CG PRO A 21 -8.779 16.736 9.093 1.00 0.00 C ATOM 300 CD PRO A 21 -8.254 17.094 7.703 1.00 0.00 C ATOM 0 HA PRO A 21 -11.491 17.925 7.805 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.585 18.636 9.877 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.742 17.321 9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.001 16.829 9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.140 15.708 9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.577 17.948 7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.716 16.270 7.235 1.00 0.00 H new ATOM 308 N LYS A 22 -9.440 20.000 6.750 1.00 0.00 N ATOM 309 CA LYS A 22 -9.178 21.406 6.339 1.00 0.00 C ATOM 310 C LYS A 22 -9.923 21.726 5.038 1.00 0.00 C ATOM 311 O LYS A 22 -10.375 22.841 4.872 1.00 0.00 O ATOM 312 CB LYS A 22 -7.649 21.554 6.166 1.00 0.00 C ATOM 313 CG LYS A 22 -7.177 22.958 6.611 1.00 0.00 C ATOM 314 CD LYS A 22 -5.646 23.116 6.392 1.00 0.00 C ATOM 315 CE LYS A 22 -4.827 22.084 7.215 1.00 0.00 C ATOM 316 NZ LYS A 22 -5.080 22.250 8.677 1.00 0.00 N ATOM 0 H LYS A 22 -8.853 19.317 6.270 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.537 22.109 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.137 20.791 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.379 21.389 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.711 23.723 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.417 23.112 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.418 22.997 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.343 24.125 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.094 21.073 6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.764 22.209 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.414 21.659 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.948 23.247 8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.054 21.960 8.896 1.00 0.00 H new ATOM 330 N ILE A 23 -10.057 20.763 4.153 1.00 0.00 N ATOM 331 CA ILE A 23 -10.773 21.046 2.875 1.00 0.00 C ATOM 332 C ILE A 23 -12.213 20.698 3.140 1.00 0.00 C ATOM 333 O ILE A 23 -13.113 21.292 2.591 1.00 0.00 O ATOM 334 CB ILE A 23 -10.204 20.187 1.698 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.535 18.870 2.158 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.197 21.080 0.954 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.130 18.039 0.923 1.00 0.00 C ATOM 0 H ILE A 23 -9.707 19.811 4.261 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.652 22.087 2.574 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.026 19.871 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.657 19.089 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.222 18.300 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.768 20.527 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.706 21.967 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.402 21.380 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.659 17.111 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.017 17.808 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.428 18.609 0.315 1.00 0.00 H new ATOM 349 N LYS A 24 -12.370 19.730 3.989 1.00 0.00 N ATOM 350 CA LYS A 24 -13.708 19.252 4.400 1.00 0.00 C ATOM 351 C LYS A 24 -14.241 20.357 5.328 1.00 0.00 C ATOM 352 O LYS A 24 -15.420 20.650 5.323 1.00 0.00 O ATOM 353 CB LYS A 24 -13.518 17.946 5.132 1.00 0.00 C ATOM 354 CG LYS A 24 -14.891 17.357 5.550 1.00 0.00 C ATOM 355 CD LYS A 24 -14.726 15.964 6.210 1.00 0.00 C ATOM 356 CE LYS A 24 -13.921 16.048 7.519 1.00 0.00 C ATOM 357 NZ LYS A 24 -13.866 14.706 8.167 1.00 0.00 N ATOM 0 H LYS A 24 -11.596 19.234 4.430 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.402 19.073 3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.990 17.237 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.898 18.103 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.384 18.036 6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.536 17.274 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.709 15.539 6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.224 15.289 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.912 16.404 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.382 16.769 8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.321 14.769 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.832 14.383 8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.407 14.029 7.525 1.00 0.00 H new ATOM 371 N GLY A 25 -13.340 20.931 6.098 1.00 0.00 N ATOM 372 CA GLY A 25 -13.712 22.024 7.048 1.00 0.00 C ATOM 373 C GLY A 25 -14.353 23.167 6.250 1.00 0.00 C ATOM 374 O GLY A 25 -15.360 23.724 6.639 1.00 0.00 O ATOM 0 H GLY A 25 -12.351 20.682 6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.407 21.651 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.829 22.381 7.579 1.00 0.00 H new ATOM 378 N GLU A 26 -13.716 23.461 5.146 1.00 0.00 N ATOM 379 CA GLU A 26 -14.178 24.542 4.226 1.00 0.00 C ATOM 380 C GLU A 26 -15.419 24.126 3.423 1.00 0.00 C ATOM 381 O GLU A 26 -16.391 24.855 3.346 1.00 0.00 O ATOM 382 CB GLU A 26 -13.039 24.870 3.250 1.00 0.00 C ATOM 383 CG GLU A 26 -11.780 25.329 4.005 1.00 0.00 C ATOM 384 CD GLU A 26 -11.877 26.813 4.394 1.00 0.00 C ATOM 385 OE1 GLU A 26 -12.673 27.110 5.270 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.144 27.576 3.786 1.00 0.00 O ATOM 0 H GLU A 26 -12.870 22.982 4.836 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.448 25.410 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.806 23.991 2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.359 25.652 2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.649 24.723 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.900 25.170 3.381 1.00 0.00 H new ATOM 393 N HIS A 27 -15.327 22.954 2.855 1.00 0.00 N ATOM 394 CA HIS A 27 -16.411 22.359 2.023 1.00 0.00 C ATOM 395 C HIS A 27 -16.869 21.010 2.607 1.00 0.00 C ATOM 396 O HIS A 27 -16.494 19.958 2.122 1.00 0.00 O ATOM 397 CB HIS A 27 -15.864 22.165 0.595 1.00 0.00 C ATOM 398 CG HIS A 27 -15.057 23.403 0.187 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.549 24.573 -0.057 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.693 23.556 0.008 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.592 25.388 -0.363 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.422 24.800 -0.337 1.00 0.00 N ATOM 0 H HIS A 27 -14.504 22.358 2.940 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.275 23.023 2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.234 21.276 0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.686 22.007 -0.103 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.960 22.773 0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.740 26.429 -0.610 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.510 25.210 -0.538 1.00 0.00 H new ATOM 410 N PRO A 28 -17.675 21.069 3.640 1.00 0.00 N ATOM 411 CA PRO A 28 -18.435 19.892 4.145 1.00 0.00 C ATOM 412 C PRO A 28 -19.670 19.699 3.237 1.00 0.00 C ATOM 413 O PRO A 28 -20.790 19.580 3.696 1.00 0.00 O ATOM 414 CB PRO A 28 -18.747 20.287 5.584 1.00 0.00 C ATOM 415 CG PRO A 28 -19.025 21.809 5.437 1.00 0.00 C ATOM 416 CD PRO A 28 -17.931 22.289 4.453 1.00 0.00 C ATOM 0 HA PRO A 28 -17.922 18.931 4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.609 19.749 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.911 20.086 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.025 21.997 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.955 22.323 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.274 23.122 3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.035 22.625 4.974 1.00 0.00 H new ATOM 424 N GLY A 29 -19.383 19.681 1.959 1.00 0.00 N ATOM 425 CA GLY A 29 -20.403 19.509 0.893 1.00 0.00 C ATOM 426 C GLY A 29 -20.021 18.376 -0.062 1.00 0.00 C ATOM 427 O GLY A 29 -20.889 17.808 -0.698 1.00 0.00 O ATOM 0 H GLY A 29 -18.433 19.784 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.372 19.296 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.509 20.439 0.334 1.00 0.00 H new ATOM 431 N LEU A 30 -18.745 18.074 -0.138 1.00 0.00 N ATOM 432 CA LEU A 30 -18.280 16.988 -1.043 1.00 0.00 C ATOM 433 C LEU A 30 -18.208 15.625 -0.329 1.00 0.00 C ATOM 434 O LEU A 30 -18.533 15.507 0.837 1.00 0.00 O ATOM 435 CB LEU A 30 -16.868 17.321 -1.609 1.00 0.00 C ATOM 436 CG LEU A 30 -16.247 18.680 -1.206 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.768 18.676 -1.663 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.954 19.823 -1.963 1.00 0.00 C ATOM 0 H LEU A 30 -18.008 18.538 0.392 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.010 16.921 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.184 16.531 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.923 17.284 -2.697 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.346 18.824 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.301 19.623 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.238 17.858 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.722 18.544 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.513 20.777 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.835 19.677 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.015 19.824 -1.713 1.00 0.00 H new ATOM 450 N SER A 31 -17.780 14.646 -1.085 1.00 0.00 N ATOM 451 CA SER A 31 -17.631 13.240 -0.603 1.00 0.00 C ATOM 452 C SER A 31 -16.164 12.819 -0.637 1.00 0.00 C ATOM 453 O SER A 31 -15.320 13.571 -1.068 1.00 0.00 O ATOM 454 CB SER A 31 -18.446 12.311 -1.509 1.00 0.00 C ATOM 455 OG SER A 31 -19.779 12.790 -1.390 1.00 0.00 O ATOM 0 H SER A 31 -17.516 14.772 -2.062 1.00 0.00 H new ATOM 0 HA SER A 31 -17.992 13.175 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.098 12.355 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.366 11.272 -1.189 1.00 0.00 H new ATOM 0 HG SER A 31 -20.373 12.245 -1.947 1.00 0.00 H new ATOM 461 N ILE A 32 -15.882 11.624 -0.190 1.00 0.00 N ATOM 462 CA ILE A 32 -14.471 11.112 -0.185 1.00 0.00 C ATOM 463 C ILE A 32 -13.909 10.954 -1.607 1.00 0.00 C ATOM 464 O ILE A 32 -12.742 10.679 -1.806 1.00 0.00 O ATOM 465 CB ILE A 32 -14.477 9.762 0.561 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.041 9.182 0.737 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.348 8.719 -0.194 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.107 10.177 1.463 1.00 0.00 C ATOM 0 H ILE A 32 -16.574 10.970 0.177 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.820 11.829 0.316 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.897 9.955 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.091 8.251 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.624 8.939 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.338 7.774 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.372 9.085 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.946 8.565 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.116 9.736 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.036 11.098 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.510 10.400 2.451 1.00 0.00 H new ATOM 480 N GLY A 33 -14.785 11.143 -2.548 1.00 0.00 N ATOM 481 CA GLY A 33 -14.411 11.030 -3.993 1.00 0.00 C ATOM 482 C GLY A 33 -14.208 12.423 -4.595 1.00 0.00 C ATOM 483 O GLY A 33 -13.715 12.554 -5.695 1.00 0.00 O ATOM 0 H GLY A 33 -15.764 11.376 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.497 10.445 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.192 10.500 -4.538 1.00 0.00 H new ATOM 487 N ASP A 34 -14.590 13.422 -3.842 1.00 0.00 N ATOM 488 CA ASP A 34 -14.474 14.842 -4.259 1.00 0.00 C ATOM 489 C ASP A 34 -13.326 15.477 -3.485 1.00 0.00 C ATOM 490 O ASP A 34 -12.554 16.236 -4.018 1.00 0.00 O ATOM 491 CB ASP A 34 -15.773 15.536 -3.933 1.00 0.00 C ATOM 492 CG ASP A 34 -16.952 14.980 -4.750 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.288 13.830 -4.513 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.453 15.737 -5.564 1.00 0.00 O ATOM 0 H ASP A 34 -14.995 13.299 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.277 14.927 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.986 15.424 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.671 16.604 -4.127 1.00 0.00 H new ATOM 499 N VAL A 35 -13.254 15.137 -2.234 1.00 0.00 N ATOM 500 CA VAL A 35 -12.202 15.643 -1.309 1.00 0.00 C ATOM 501 C VAL A 35 -10.874 15.026 -1.755 1.00 0.00 C ATOM 502 O VAL A 35 -9.818 15.578 -1.525 1.00 0.00 O ATOM 503 CB VAL A 35 -12.597 15.190 0.123 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.482 15.457 1.153 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.851 15.951 0.613 1.00 0.00 C ATOM 0 H VAL A 35 -13.914 14.497 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.104 16.729 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.784 14.118 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.808 15.122 2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.582 14.913 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.265 16.525 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.109 15.618 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.645 17.021 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.684 15.751 -0.061 1.00 0.00 H new ATOM 515 N ALA A 36 -10.991 13.898 -2.403 1.00 0.00 N ATOM 516 CA ALA A 36 -9.822 13.148 -2.900 1.00 0.00 C ATOM 517 C ALA A 36 -9.530 13.548 -4.329 1.00 0.00 C ATOM 518 O ALA A 36 -8.392 13.791 -4.669 1.00 0.00 O ATOM 519 CB ALA A 36 -10.153 11.673 -2.800 1.00 0.00 C ATOM 0 H ALA A 36 -11.887 13.457 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.932 13.366 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.309 11.085 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.357 11.416 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.032 11.455 -3.407 1.00 0.00 H new ATOM 525 N LYS A 37 -10.554 13.611 -5.134 1.00 0.00 N ATOM 526 CA LYS A 37 -10.326 13.998 -6.547 1.00 0.00 C ATOM 527 C LYS A 37 -9.891 15.473 -6.652 1.00 0.00 C ATOM 528 O LYS A 37 -9.070 15.819 -7.479 1.00 0.00 O ATOM 529 CB LYS A 37 -11.631 13.739 -7.286 1.00 0.00 C ATOM 530 CG LYS A 37 -11.457 13.901 -8.794 1.00 0.00 C ATOM 531 CD LYS A 37 -10.688 12.685 -9.403 1.00 0.00 C ATOM 532 CE LYS A 37 -11.665 11.651 -10.024 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.645 11.118 -9.030 1.00 0.00 N ATOM 0 H LYS A 37 -11.522 13.414 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.518 13.415 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.983 12.731 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.396 14.429 -6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.434 13.993 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.913 14.822 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.994 13.037 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.092 12.204 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.206 12.117 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.093 10.824 -10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.262 10.420 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.133 10.664 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.223 11.899 -8.659 1.00 0.00 H new ATOM 547 N LYS A 38 -10.437 16.300 -5.795 1.00 0.00 N ATOM 548 CA LYS A 38 -10.095 17.743 -5.823 1.00 0.00 C ATOM 549 C LYS A 38 -8.725 17.944 -5.199 1.00 0.00 C ATOM 550 O LYS A 38 -7.895 18.583 -5.812 1.00 0.00 O ATOM 551 CB LYS A 38 -11.186 18.514 -5.052 1.00 0.00 C ATOM 552 CG LYS A 38 -11.017 20.039 -5.258 1.00 0.00 C ATOM 553 CD LYS A 38 -12.409 20.639 -5.571 1.00 0.00 C ATOM 554 CE LYS A 38 -12.301 22.152 -5.811 1.00 0.00 C ATOM 555 NZ LYS A 38 -11.872 22.846 -4.563 1.00 0.00 N ATOM 0 H LYS A 38 -11.108 16.030 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.056 18.118 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.172 18.201 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.127 18.275 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.596 20.500 -4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.324 20.238 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.831 20.154 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.090 20.444 -4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.586 22.350 -6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.263 22.544 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.014 23.871 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.437 22.500 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.866 22.652 -4.386 1.00 0.00 H new ATOM 569 N LEU A 39 -8.476 17.409 -4.025 1.00 0.00 N ATOM 570 CA LEU A 39 -7.121 17.634 -3.457 1.00 0.00 C ATOM 571 C LEU A 39 -6.116 16.931 -4.343 1.00 0.00 C ATOM 572 O LEU A 39 -4.992 17.372 -4.423 1.00 0.00 O ATOM 573 CB LEU A 39 -7.126 17.137 -1.992 1.00 0.00 C ATOM 574 CG LEU A 39 -6.683 15.720 -1.717 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.165 15.580 -1.810 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.071 15.375 -0.250 1.00 0.00 C ATOM 0 H LEU A 39 -9.122 16.854 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.839 18.687 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.488 17.804 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.139 17.250 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.155 15.066 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.882 14.547 -1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.835 15.856 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.694 16.237 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.763 14.355 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.572 16.065 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.151 15.463 -0.129 1.00 0.00 H new ATOM 588 N GLY A 40 -6.508 15.868 -4.994 1.00 0.00 N ATOM 589 CA GLY A 40 -5.531 15.175 -5.883 1.00 0.00 C ATOM 590 C GLY A 40 -4.982 16.187 -6.877 1.00 0.00 C ATOM 591 O GLY A 40 -3.799 16.227 -7.156 1.00 0.00 O ATOM 0 H GLY A 40 -7.441 15.457 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.721 14.745 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.015 14.352 -6.409 1.00 0.00 H new ATOM 595 N GLU A 41 -5.873 16.994 -7.388 1.00 0.00 N ATOM 596 CA GLU A 41 -5.435 18.022 -8.364 1.00 0.00 C ATOM 597 C GLU A 41 -4.528 19.006 -7.610 1.00 0.00 C ATOM 598 O GLU A 41 -3.457 19.328 -8.082 1.00 0.00 O ATOM 599 CB GLU A 41 -6.648 18.757 -8.913 1.00 0.00 C ATOM 600 CG GLU A 41 -7.544 17.782 -9.722 1.00 0.00 C ATOM 601 CD GLU A 41 -8.844 18.447 -10.234 1.00 0.00 C ATOM 602 OE1 GLU A 41 -9.029 19.639 -10.030 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.604 17.698 -10.822 1.00 0.00 O ATOM 0 H GLU A 41 -6.870 16.984 -7.173 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.903 17.565 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.220 19.193 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.326 19.580 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.980 17.397 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.801 16.927 -9.096 1.00 0.00 H new ATOM 610 N MET A 42 -4.986 19.444 -6.457 1.00 0.00 N ATOM 611 CA MET A 42 -4.193 20.412 -5.631 1.00 0.00 C ATOM 612 C MET A 42 -2.749 19.942 -5.488 1.00 0.00 C ATOM 613 O MET A 42 -1.822 20.705 -5.648 1.00 0.00 O ATOM 614 CB MET A 42 -4.793 20.518 -4.260 1.00 0.00 C ATOM 615 CG MET A 42 -6.235 21.040 -4.330 1.00 0.00 C ATOM 616 SD MET A 42 -6.496 22.757 -4.849 1.00 0.00 S ATOM 617 CE MET A 42 -7.908 22.475 -5.949 1.00 0.00 C ATOM 0 H MET A 42 -5.881 19.170 -6.052 1.00 0.00 H new ATOM 0 HA MET A 42 -4.213 21.380 -6.132 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.779 19.541 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.190 21.186 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.790 20.397 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.682 20.918 -3.343 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.229 23.424 -6.380 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.616 21.794 -6.748 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.730 22.038 -5.382 1.00 0.00 H new ATOM 627 N TRP A 43 -2.640 18.681 -5.169 1.00 0.00 N ATOM 628 CA TRP A 43 -1.341 17.993 -4.987 1.00 0.00 C ATOM 629 C TRP A 43 -0.535 18.169 -6.253 1.00 0.00 C ATOM 630 O TRP A 43 0.604 18.586 -6.213 1.00 0.00 O ATOM 631 CB TRP A 43 -1.654 16.543 -4.702 1.00 0.00 C ATOM 632 CG TRP A 43 -0.410 15.697 -4.901 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.133 14.966 -6.004 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.567 15.545 -4.005 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.015 14.411 -5.690 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.530 14.692 -4.502 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.685 16.100 -2.747 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.636 14.385 -3.721 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.784 15.801 -1.960 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.763 14.937 -2.451 1.00 0.00 C ATOM 0 H TRP A 43 -3.446 18.074 -5.021 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.753 18.397 -4.163 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.018 16.435 -3.680 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.449 16.197 -5.362 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.709 14.864 -6.912 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.494 13.785 -6.338 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.079 16.767 -2.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.397 13.718 -4.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.883 16.233 -0.975 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.622 14.696 -1.843 1.00 0.00 H new ATOM 651 N ASN A 44 -1.185 17.843 -7.339 1.00 0.00 N ATOM 652 CA ASN A 44 -0.525 17.961 -8.664 1.00 0.00 C ATOM 653 C ASN A 44 0.030 19.404 -8.811 1.00 0.00 C ATOM 654 O ASN A 44 0.952 19.628 -9.571 1.00 0.00 O ATOM 655 CB ASN A 44 -1.615 17.533 -9.732 1.00 0.00 C ATOM 656 CG ASN A 44 -1.965 18.564 -10.808 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.191 19.012 -10.858 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.141 18.960 -11.608 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.145 17.500 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 44 0.341 17.313 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.267 16.627 -10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.530 17.273 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.184 18.610 -11.569 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.407 19.642 -12.318 1.00 0.00 H new ATOM 665 N ASN A 45 -0.568 20.317 -8.071 1.00 0.00 N ATOM 666 CA ASN A 45 -0.146 21.764 -8.084 1.00 0.00 C ATOM 667 C ASN A 45 0.157 22.288 -6.645 1.00 0.00 C ATOM 668 O ASN A 45 -0.156 23.431 -6.352 1.00 0.00 O ATOM 669 CB ASN A 45 -1.277 22.631 -8.683 1.00 0.00 C ATOM 670 CG ASN A 45 -2.008 21.874 -9.780 1.00 0.00 C ATOM 671 OD1 ASN A 45 -1.483 21.602 -10.841 1.00 0.00 O ATOM 672 ND2 ASN A 45 -3.234 21.519 -9.518 1.00 0.00 N ATOM 0 H ASN A 45 -1.348 20.115 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 45 0.760 21.834 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.979 22.914 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.860 23.554 -9.086 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.774 21.001 -10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.654 21.759 -8.620 1.00 0.00 H new ATOM 679 N THR A 46 0.757 21.497 -5.776 1.00 0.00 N ATOM 680 CA THR A 46 1.027 22.030 -4.392 1.00 0.00 C ATOM 681 C THR A 46 2.295 22.890 -4.457 1.00 0.00 C ATOM 682 O THR A 46 2.310 24.001 -3.966 1.00 0.00 O ATOM 683 CB THR A 46 1.190 20.817 -3.385 1.00 0.00 C ATOM 684 OG1 THR A 46 1.220 21.441 -2.108 1.00 0.00 O ATOM 685 CG2 THR A 46 2.535 20.085 -3.429 1.00 0.00 C ATOM 0 H THR A 46 1.062 20.540 -5.954 1.00 0.00 H new ATOM 0 HA THR A 46 0.201 22.644 -4.034 1.00 0.00 H new ATOM 0 HB THR A 46 0.403 20.099 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.318 20.758 -1.412 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.533 19.276 -2.699 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.693 19.674 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.338 20.784 -3.193 1.00 0.00 H new ATOM 693 N ALA A 47 3.313 22.336 -5.062 1.00 0.00 N ATOM 694 CA ALA A 47 4.612 23.046 -5.210 1.00 0.00 C ATOM 695 C ALA A 47 5.469 22.274 -6.211 1.00 0.00 C ATOM 696 O ALA A 47 5.930 22.834 -7.185 1.00 0.00 O ATOM 697 CB ALA A 47 5.341 23.105 -3.864 1.00 0.00 C ATOM 0 H ALA A 47 3.295 21.400 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 47 4.435 24.064 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.290 23.627 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.725 23.638 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.528 22.092 -3.507 1.00 0.00 H new ATOM 703 N ALA A 48 5.622 21.010 -5.885 1.00 0.00 N ATOM 704 CA ALA A 48 6.412 19.979 -6.642 1.00 0.00 C ATOM 705 C ALA A 48 7.632 19.800 -5.746 1.00 0.00 C ATOM 706 O ALA A 48 8.096 18.709 -5.485 1.00 0.00 O ATOM 707 CB ALA A 48 6.896 20.457 -8.028 1.00 0.00 C ATOM 0 H ALA A 48 5.189 20.621 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 48 5.815 19.088 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.458 19.659 -8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.035 20.720 -8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.537 21.331 -7.908 1.00 0.00 H new ATOM 713 N ASP A 49 8.092 20.940 -5.292 1.00 0.00 N ATOM 714 CA ASP A 49 9.275 21.017 -4.402 1.00 0.00 C ATOM 715 C ASP A 49 8.835 20.907 -2.923 1.00 0.00 C ATOM 716 O ASP A 49 9.640 21.051 -2.022 1.00 0.00 O ATOM 717 CB ASP A 49 9.995 22.366 -4.674 1.00 0.00 C ATOM 718 CG ASP A 49 9.028 23.554 -4.504 1.00 0.00 C ATOM 719 OD1 ASP A 49 8.259 23.777 -5.424 1.00 0.00 O ATOM 720 OD2 ASP A 49 9.112 24.173 -3.455 1.00 0.00 O ATOM 0 H ASP A 49 7.677 21.845 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 49 9.959 20.193 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.837 22.477 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.403 22.367 -5.685 1.00 0.00 H new ATOM 725 N ASP A 50 7.561 20.648 -2.735 1.00 0.00 N ATOM 726 CA ASP A 50 6.950 20.493 -1.372 1.00 0.00 C ATOM 727 C ASP A 50 6.290 19.103 -1.340 1.00 0.00 C ATOM 728 O ASP A 50 5.697 18.706 -0.355 1.00 0.00 O ATOM 729 CB ASP A 50 5.867 21.566 -1.125 1.00 0.00 C ATOM 730 CG ASP A 50 5.364 21.490 0.326 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.177 21.738 1.203 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.191 21.186 0.478 1.00 0.00 O ATOM 0 H ASP A 50 6.895 20.533 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 50 7.715 20.604 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.275 22.557 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.035 21.419 -1.814 1.00 0.00 H new ATOM 737 N LYS A 51 6.426 18.406 -2.441 1.00 0.00 N ATOM 738 CA LYS A 51 5.858 17.040 -2.593 1.00 0.00 C ATOM 739 C LYS A 51 7.012 16.151 -2.226 1.00 0.00 C ATOM 740 O LYS A 51 6.839 15.282 -1.406 1.00 0.00 O ATOM 741 CB LYS A 51 5.431 16.796 -4.050 1.00 0.00 C ATOM 742 CG LYS A 51 4.152 17.592 -4.262 1.00 0.00 C ATOM 743 CD LYS A 51 3.640 17.624 -5.717 1.00 0.00 C ATOM 744 CE LYS A 51 3.782 16.302 -6.469 1.00 0.00 C ATOM 745 NZ LYS A 51 3.258 16.476 -7.851 1.00 0.00 N ATOM 0 H LYS A 51 6.925 18.743 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 51 4.971 16.869 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.209 17.119 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.263 15.735 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.371 17.173 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.319 18.616 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.589 17.914 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.181 18.397 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.827 15.995 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.233 15.514 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.350 15.581 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.256 16.752 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.801 17.217 -8.338 1.00 0.00 H new ATOM 759 N GLN A 52 8.137 16.392 -2.853 1.00 0.00 N ATOM 760 CA GLN A 52 9.392 15.615 -2.606 1.00 0.00 C ATOM 761 C GLN A 52 9.435 14.923 -1.214 1.00 0.00 C ATOM 762 O GLN A 52 9.621 13.729 -1.182 1.00 0.00 O ATOM 763 CB GLN A 52 10.588 16.603 -2.785 1.00 0.00 C ATOM 764 CG GLN A 52 11.730 15.930 -3.579 1.00 0.00 C ATOM 765 CD GLN A 52 11.307 15.579 -5.025 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.110 15.875 -5.464 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.080 15.024 -5.780 1.00 0.00 N flip ATOM 0 H GLN A 52 8.240 17.126 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 52 9.444 14.794 -3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.253 17.499 -3.307 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.954 16.921 -1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.593 16.595 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.043 15.022 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.019 14.783 -5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.790 14.799 -6.732 1.00 0.00 H new ATOM 776 N PRO A 53 9.262 15.638 -0.118 1.00 0.00 N ATOM 777 CA PRO A 53 9.106 15.036 1.247 1.00 0.00 C ATOM 778 C PRO A 53 8.135 13.841 1.336 1.00 0.00 C ATOM 779 O PRO A 53 8.496 12.762 1.763 1.00 0.00 O ATOM 780 CB PRO A 53 8.673 16.226 2.133 1.00 0.00 C ATOM 781 CG PRO A 53 8.149 17.262 1.109 1.00 0.00 C ATOM 782 CD PRO A 53 9.162 17.124 -0.029 1.00 0.00 C ATOM 0 HA PRO A 53 10.040 14.576 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.899 15.937 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.508 16.620 2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.134 17.035 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.133 18.271 1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.808 17.573 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.118 17.591 0.207 1.00 0.00 H new ATOM 790 N TYR A 54 6.925 14.096 0.912 1.00 0.00 N ATOM 791 CA TYR A 54 5.837 13.068 0.923 1.00 0.00 C ATOM 792 C TYR A 54 6.119 12.022 -0.165 1.00 0.00 C ATOM 793 O TYR A 54 6.052 10.831 0.056 1.00 0.00 O ATOM 794 CB TYR A 54 4.499 13.744 0.631 1.00 0.00 C ATOM 795 CG TYR A 54 4.041 14.732 1.718 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.915 14.336 3.034 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.726 16.037 1.386 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.480 15.224 3.997 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.291 16.927 2.348 1.00 0.00 C ATOM 800 CZ TYR A 54 3.163 16.527 3.661 1.00 0.00 C ATOM 801 OH TYR A 54 2.721 17.415 4.623 1.00 0.00 O ATOM 0 H TYR A 54 6.635 15.003 0.547 1.00 0.00 H new ATOM 0 HA TYR A 54 5.800 12.586 1.900 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.572 14.274 -0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.735 12.976 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.159 13.322 3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.821 16.364 0.361 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.386 14.898 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.050 17.942 2.070 1.00 0.00 H new ATOM 0 HH TYR A 54 2.546 18.286 4.209 1.00 0.00 H new ATOM 811 N GLU A 55 6.419 12.517 -1.332 1.00 0.00 N ATOM 812 CA GLU A 55 6.727 11.643 -2.502 1.00 0.00 C ATOM 813 C GLU A 55 7.779 10.576 -2.143 1.00 0.00 C ATOM 814 O GLU A 55 7.573 9.388 -2.316 1.00 0.00 O ATOM 815 CB GLU A 55 7.216 12.568 -3.637 1.00 0.00 C ATOM 816 CG GLU A 55 6.374 12.338 -4.898 1.00 0.00 C ATOM 817 CD GLU A 55 6.889 13.236 -6.037 1.00 0.00 C ATOM 818 OE1 GLU A 55 6.837 14.444 -5.857 1.00 0.00 O ATOM 819 OE2 GLU A 55 7.308 12.666 -7.031 1.00 0.00 O ATOM 0 H GLU A 55 6.465 13.516 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 55 5.840 11.093 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.143 13.610 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.267 12.372 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.426 11.291 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.327 12.559 -4.693 1.00 0.00 H new ATOM 826 N LYS A 56 8.893 11.042 -1.646 1.00 0.00 N ATOM 827 CA LYS A 56 10.014 10.145 -1.242 1.00 0.00 C ATOM 828 C LYS A 56 9.486 9.138 -0.208 1.00 0.00 C ATOM 829 O LYS A 56 9.940 8.014 -0.144 1.00 0.00 O ATOM 830 CB LYS A 56 11.144 11.052 -0.673 1.00 0.00 C ATOM 831 CG LYS A 56 12.480 10.274 -0.510 1.00 0.00 C ATOM 832 CD LYS A 56 12.620 9.550 0.857 1.00 0.00 C ATOM 833 CE LYS A 56 12.916 10.570 1.974 1.00 0.00 C ATOM 834 NZ LYS A 56 13.157 9.854 3.260 1.00 0.00 N ATOM 0 H LYS A 56 9.077 12.034 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 56 10.416 9.570 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.297 11.902 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.837 11.453 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.561 9.539 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.311 10.969 -0.630 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.703 9.007 1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.422 8.813 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.788 11.168 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.078 11.259 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.356 10.546 4.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.313 9.302 3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.970 9.214 3.154 1.00 0.00 H new ATOM 848 N LYS A 57 8.522 9.575 0.569 1.00 0.00 N ATOM 849 CA LYS A 57 7.934 8.683 1.613 1.00 0.00 C ATOM 850 C LYS A 57 7.325 7.496 0.856 1.00 0.00 C ATOM 851 O LYS A 57 7.693 6.362 1.089 1.00 0.00 O ATOM 852 CB LYS A 57 6.843 9.449 2.396 1.00 0.00 C ATOM 853 CG LYS A 57 6.617 8.776 3.773 1.00 0.00 C ATOM 854 CD LYS A 57 6.937 9.782 4.905 1.00 0.00 C ATOM 855 CE LYS A 57 8.424 10.205 4.855 1.00 0.00 C ATOM 856 NZ LYS A 57 8.711 11.175 5.946 1.00 0.00 N ATOM 0 H LYS A 57 8.119 10.511 0.523 1.00 0.00 H new ATOM 0 HA LYS A 57 8.679 8.348 2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.142 10.488 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.913 9.458 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.585 8.436 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.252 7.895 3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.300 10.661 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.714 9.332 5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.064 9.329 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.651 10.654 3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.712 11.455 5.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.111 12.016 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.511 10.732 6.866 1.00 0.00 H new ATOM 870 N ALA A 58 6.406 7.811 -0.026 1.00 0.00 N ATOM 871 CA ALA A 58 5.719 6.763 -0.856 1.00 0.00 C ATOM 872 C ALA A 58 6.746 5.726 -1.323 1.00 0.00 C ATOM 873 O ALA A 58 6.575 4.541 -1.118 1.00 0.00 O ATOM 874 CB ALA A 58 5.056 7.419 -2.076 1.00 0.00 C ATOM 0 H ALA A 58 6.096 8.765 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 58 4.954 6.271 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.559 6.655 -2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.322 8.152 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.816 7.916 -2.680 1.00 0.00 H new ATOM 880 N ALA A 59 7.787 6.228 -1.943 1.00 0.00 N ATOM 881 CA ALA A 59 8.885 5.346 -2.456 1.00 0.00 C ATOM 882 C ALA A 59 9.364 4.421 -1.318 1.00 0.00 C ATOM 883 O ALA A 59 9.271 3.220 -1.439 1.00 0.00 O ATOM 884 CB ALA A 59 10.047 6.229 -2.955 1.00 0.00 C ATOM 0 H ALA A 59 7.925 7.223 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 59 8.523 4.733 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.851 5.595 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.693 6.878 -3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.420 6.839 -2.132 1.00 0.00 H new ATOM 890 N LYS A 60 9.857 5.012 -0.257 1.00 0.00 N ATOM 891 CA LYS A 60 10.360 4.260 0.939 1.00 0.00 C ATOM 892 C LYS A 60 9.434 3.078 1.291 1.00 0.00 C ATOM 893 O LYS A 60 9.879 1.986 1.576 1.00 0.00 O ATOM 894 CB LYS A 60 10.464 5.256 2.116 1.00 0.00 C ATOM 895 CG LYS A 60 11.389 4.678 3.208 1.00 0.00 C ATOM 896 CD LYS A 60 11.530 5.712 4.347 1.00 0.00 C ATOM 897 CE LYS A 60 12.622 5.271 5.342 1.00 0.00 C ATOM 898 NZ LYS A 60 12.292 3.949 5.950 1.00 0.00 N ATOM 0 H LYS A 60 9.935 6.025 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 60 11.339 3.832 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.854 6.211 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.474 5.449 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.978 3.746 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.367 4.445 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.781 6.688 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.578 5.822 4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.582 5.210 4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.727 6.020 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.958 3.746 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.322 3.972 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.365 3.206 5.226 1.00 0.00 H new ATOM 912 N LEU A 61 8.153 3.341 1.258 1.00 0.00 N ATOM 913 CA LEU A 61 7.151 2.274 1.577 1.00 0.00 C ATOM 914 C LEU A 61 7.172 1.245 0.444 1.00 0.00 C ATOM 915 O LEU A 61 7.412 0.086 0.712 1.00 0.00 O ATOM 916 CB LEU A 61 5.776 2.932 1.711 1.00 0.00 C ATOM 917 CG LEU A 61 5.895 4.078 2.744 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.565 4.814 2.807 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.294 3.533 4.144 1.00 0.00 C ATOM 0 H LEU A 61 7.755 4.250 1.024 1.00 0.00 H new ATOM 0 HA LEU A 61 7.384 1.766 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.443 3.320 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.034 2.202 2.035 1.00 0.00 H new ATOM 0 HG LEU A 61 6.681 4.766 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.632 5.626 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.329 5.223 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.780 4.121 3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.370 4.361 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.536 2.830 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.256 3.025 4.076 1.00 0.00 H new ATOM 931 N LYS A 62 6.913 1.668 -0.772 1.00 0.00 N ATOM 932 CA LYS A 62 6.926 0.741 -1.962 1.00 0.00 C ATOM 933 C LYS A 62 8.113 -0.234 -1.791 1.00 0.00 C ATOM 934 O LYS A 62 7.998 -1.433 -1.916 1.00 0.00 O ATOM 935 CB LYS A 62 7.058 1.631 -3.255 1.00 0.00 C ATOM 936 CG LYS A 62 8.107 1.072 -4.260 1.00 0.00 C ATOM 937 CD LYS A 62 8.160 1.953 -5.519 1.00 0.00 C ATOM 938 CE LYS A 62 9.285 1.449 -6.443 1.00 0.00 C ATOM 939 NZ LYS A 62 9.318 2.267 -7.688 1.00 0.00 N ATOM 0 H LYS A 62 6.688 2.637 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 62 6.015 0.148 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.088 1.697 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.339 2.644 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.090 1.038 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.849 0.049 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.203 1.921 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.338 2.992 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.245 1.511 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.123 0.400 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.078 1.924 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.406 2.186 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.493 3.263 -7.445 1.00 0.00 H new ATOM 953 N GLU A 63 9.236 0.369 -1.498 1.00 0.00 N ATOM 954 CA GLU A 63 10.520 -0.343 -1.278 1.00 0.00 C ATOM 955 C GLU A 63 10.322 -1.371 -0.143 1.00 0.00 C ATOM 956 O GLU A 63 10.611 -2.537 -0.334 1.00 0.00 O ATOM 957 CB GLU A 63 11.575 0.773 -0.956 1.00 0.00 C ATOM 958 CG GLU A 63 12.956 0.236 -0.526 1.00 0.00 C ATOM 959 CD GLU A 63 12.884 -0.400 0.881 1.00 0.00 C ATOM 960 OE1 GLU A 63 12.448 0.293 1.787 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.277 -1.553 0.973 1.00 0.00 O ATOM 0 H GLU A 63 9.311 1.381 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 63 10.869 -0.914 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.701 1.402 -1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.183 1.410 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.304 -0.504 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.683 1.048 -0.526 1.00 0.00 H new ATOM 968 N LYS A 64 9.830 -0.922 0.990 1.00 0.00 N ATOM 969 CA LYS A 64 9.600 -1.839 2.161 1.00 0.00 C ATOM 970 C LYS A 64 8.841 -3.092 1.691 1.00 0.00 C ATOM 971 O LYS A 64 9.232 -4.218 1.931 1.00 0.00 O ATOM 972 CB LYS A 64 8.770 -1.087 3.227 1.00 0.00 C ATOM 973 CG LYS A 64 8.757 -1.850 4.570 1.00 0.00 C ATOM 974 CD LYS A 64 10.139 -1.709 5.255 1.00 0.00 C ATOM 975 CE LYS A 64 10.153 -2.474 6.588 1.00 0.00 C ATOM 976 NZ LYS A 64 9.108 -1.942 7.512 1.00 0.00 N ATOM 0 H LYS A 64 9.575 0.051 1.157 1.00 0.00 H new ATOM 0 HA LYS A 64 10.554 -2.145 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.184 -0.090 3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.748 -0.957 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.975 -1.454 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.528 -2.902 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.919 -2.094 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.360 -0.656 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.979 -3.535 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.135 -2.387 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.301 -2.269 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.121 -0.902 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.173 -2.283 7.212 1.00 0.00 H new ATOM 990 N TYR A 65 7.758 -2.805 1.018 1.00 0.00 N ATOM 991 CA TYR A 65 6.860 -3.847 0.457 1.00 0.00 C ATOM 992 C TYR A 65 7.697 -4.825 -0.338 1.00 0.00 C ATOM 993 O TYR A 65 7.712 -5.996 -0.032 1.00 0.00 O ATOM 994 CB TYR A 65 5.800 -3.113 -0.407 1.00 0.00 C ATOM 995 CG TYR A 65 5.165 -3.988 -1.514 1.00 0.00 C ATOM 996 CD1 TYR A 65 4.725 -5.275 -1.279 1.00 0.00 C ATOM 997 CD2 TYR A 65 5.014 -3.468 -2.787 1.00 0.00 C ATOM 998 CE1 TYR A 65 4.150 -6.016 -2.291 1.00 0.00 C ATOM 999 CE2 TYR A 65 4.439 -4.214 -3.796 1.00 0.00 C ATOM 1000 CZ TYR A 65 4.000 -5.495 -3.556 1.00 0.00 C ATOM 1001 OH TYR A 65 3.416 -6.242 -4.559 1.00 0.00 O ATOM 0 H TYR A 65 7.451 -1.851 0.829 1.00 0.00 H new ATOM 0 HA TYR A 65 6.343 -4.422 1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.009 -2.743 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.265 -2.243 -0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.832 -5.706 -0.294 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.351 -2.463 -2.994 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.812 -7.021 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.333 -3.788 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 65 3.391 -5.717 -5.386 1.00 0.00 H new ATOM 1011 N GLU A 66 8.363 -4.309 -1.335 1.00 0.00 N ATOM 1012 CA GLU A 66 9.228 -5.154 -2.202 1.00 0.00 C ATOM 1013 C GLU A 66 10.101 -6.164 -1.438 1.00 0.00 C ATOM 1014 O GLU A 66 10.419 -7.208 -1.967 1.00 0.00 O ATOM 1015 CB GLU A 66 10.176 -4.305 -3.029 1.00 0.00 C ATOM 1016 CG GLU A 66 9.401 -3.271 -3.872 1.00 0.00 C ATOM 1017 CD GLU A 66 10.101 -3.050 -5.219 1.00 0.00 C ATOM 1018 OE1 GLU A 66 11.223 -2.569 -5.185 1.00 0.00 O ATOM 1019 OE2 GLU A 66 9.475 -3.375 -6.215 1.00 0.00 O ATOM 0 H GLU A 66 8.343 -3.321 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 66 8.518 -5.701 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.877 -3.791 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.765 -4.946 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.381 -3.618 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.333 -2.327 -3.330 1.00 0.00 H new ATOM 1026 N LYS A 67 10.456 -5.832 -0.222 1.00 0.00 N ATOM 1027 CA LYS A 67 11.316 -6.747 0.599 1.00 0.00 C ATOM 1028 C LYS A 67 10.545 -7.855 1.310 1.00 0.00 C ATOM 1029 O LYS A 67 11.052 -8.935 1.543 1.00 0.00 O ATOM 1030 CB LYS A 67 12.086 -5.932 1.682 1.00 0.00 C ATOM 1031 CG LYS A 67 12.479 -4.519 1.180 1.00 0.00 C ATOM 1032 CD LYS A 67 13.223 -4.534 -0.191 1.00 0.00 C ATOM 1033 CE LYS A 67 14.748 -4.421 0.008 1.00 0.00 C ATOM 1034 NZ LYS A 67 15.263 -5.505 0.894 1.00 0.00 N ATOM 0 H LYS A 67 10.188 -4.964 0.241 1.00 0.00 H new ATOM 0 HA LYS A 67 11.994 -7.218 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.466 -5.840 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.985 -6.476 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.579 -3.910 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.115 -4.041 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.989 -5.455 -0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.871 -3.708 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.247 -4.472 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.989 -3.450 0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.302 -5.473 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.895 -5.370 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.951 -6.428 0.530 1.00 0.00 H new ATOM 1048 N ASP A 68 9.326 -7.536 1.616 1.00 0.00 N ATOM 1049 CA ASP A 68 8.410 -8.459 2.316 1.00 0.00 C ATOM 1050 C ASP A 68 7.669 -9.308 1.316 1.00 0.00 C ATOM 1051 O ASP A 68 7.195 -10.379 1.642 1.00 0.00 O ATOM 1052 CB ASP A 68 7.411 -7.660 3.090 1.00 0.00 C ATOM 1053 CG ASP A 68 8.089 -6.745 4.128 1.00 0.00 C ATOM 1054 OD1 ASP A 68 8.736 -7.288 5.009 1.00 0.00 O ATOM 1055 OD2 ASP A 68 7.917 -5.544 3.985 1.00 0.00 O ATOM 0 H ASP A 68 8.912 -6.630 1.398 1.00 0.00 H new ATOM 0 HA ASP A 68 8.989 -9.099 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.820 -7.054 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.720 -8.334 3.596 1.00 0.00 H new ATOM 1060 N ILE A 69 7.605 -8.795 0.121 1.00 0.00 N ATOM 1061 CA ILE A 69 6.893 -9.537 -0.948 1.00 0.00 C ATOM 1062 C ILE A 69 7.890 -10.439 -1.632 1.00 0.00 C ATOM 1063 O ILE A 69 7.587 -11.536 -2.045 1.00 0.00 O ATOM 1064 CB ILE A 69 6.263 -8.488 -1.896 1.00 0.00 C ATOM 1065 CG1 ILE A 69 5.467 -9.137 -3.013 1.00 0.00 C ATOM 1066 CG2 ILE A 69 7.334 -7.695 -2.599 1.00 0.00 C ATOM 1067 CD1 ILE A 69 4.637 -10.281 -2.468 1.00 0.00 C ATOM 0 H ILE A 69 8.011 -7.902 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 69 6.091 -10.171 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 69 5.628 -7.868 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.817 -8.399 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.143 -9.504 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.870 -6.963 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.948 -7.179 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.960 -8.368 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.071 -10.738 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.294 -11.026 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.948 -9.903 -1.713 1.00 0.00 H new ATOM 1079 N ALA A 70 9.075 -9.924 -1.725 1.00 0.00 N ATOM 1080 CA ALA A 70 10.180 -10.691 -2.360 1.00 0.00 C ATOM 1081 C ALA A 70 10.371 -11.888 -1.426 1.00 0.00 C ATOM 1082 O ALA A 70 10.638 -12.981 -1.875 1.00 0.00 O ATOM 1083 CB ALA A 70 11.472 -9.868 -2.409 1.00 0.00 C ATOM 0 H ALA A 70 9.332 -8.997 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 70 9.950 -10.968 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.260 -10.456 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.303 -8.960 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.773 -9.602 -1.396 1.00 0.00 H new ATOM 1089 N ALA A 71 10.209 -11.619 -0.150 1.00 0.00 N ATOM 1090 CA ALA A 71 10.358 -12.670 0.896 1.00 0.00 C ATOM 1091 C ALA A 71 9.137 -13.600 0.846 1.00 0.00 C ATOM 1092 O ALA A 71 9.266 -14.807 0.935 1.00 0.00 O ATOM 1093 CB ALA A 71 10.454 -11.993 2.266 1.00 0.00 C ATOM 0 H ALA A 71 9.975 -10.694 0.212 1.00 0.00 H new ATOM 0 HA ALA A 71 11.260 -13.257 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.563 -12.752 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.318 -11.329 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.549 -11.415 2.450 1.00 0.00 H new ATOM 1099 N TYR A 72 7.980 -12.998 0.714 1.00 0.00 N ATOM 1100 CA TYR A 72 6.711 -13.791 0.648 1.00 0.00 C ATOM 1101 C TYR A 72 6.721 -14.764 -0.538 1.00 0.00 C ATOM 1102 O TYR A 72 6.289 -15.895 -0.418 1.00 0.00 O ATOM 1103 CB TYR A 72 5.543 -12.808 0.522 1.00 0.00 C ATOM 1104 CG TYR A 72 4.209 -13.514 0.215 1.00 0.00 C ATOM 1105 CD1 TYR A 72 3.824 -14.667 0.870 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.359 -12.990 -0.737 1.00 0.00 C ATOM 1107 CE1 TYR A 72 2.621 -15.274 0.573 1.00 0.00 C ATOM 1108 CE2 TYR A 72 2.160 -13.590 -1.037 1.00 0.00 C ATOM 1109 CZ TYR A 72 1.780 -14.741 -0.381 1.00 0.00 C ATOM 1110 OH TYR A 72 0.576 -15.354 -0.668 1.00 0.00 O ATOM 0 H TYR A 72 7.859 -11.987 0.649 1.00 0.00 H new ATOM 0 HA TYR A 72 6.609 -14.390 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.446 -12.243 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.761 -12.090 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.470 -15.097 1.621 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.643 -12.088 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.335 -16.176 1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.514 -13.159 -1.788 1.00 0.00 H new ATOM 0 HH TYR A 72 0.108 -14.846 -1.363 1.00 0.00 H new ATOM 1120 N ARG A 73 7.225 -14.285 -1.645 1.00 0.00 N ATOM 1121 CA ARG A 73 7.297 -15.110 -2.880 1.00 0.00 C ATOM 1122 C ARG A 73 8.564 -15.953 -2.857 1.00 0.00 C ATOM 1123 O ARG A 73 8.739 -16.823 -3.689 1.00 0.00 O ATOM 1124 CB ARG A 73 7.292 -14.178 -4.114 1.00 0.00 C ATOM 1125 CG ARG A 73 5.887 -13.558 -4.258 1.00 0.00 C ATOM 1126 CD ARG A 73 5.784 -12.734 -5.558 1.00 0.00 C ATOM 1127 NE ARG A 73 6.365 -11.394 -5.282 1.00 0.00 N ATOM 1128 CZ ARG A 73 7.367 -10.923 -5.972 1.00 0.00 C ATOM 1129 NH1 ARG A 73 8.578 -11.270 -5.638 1.00 0.00 N ATOM 1130 NH2 ARG A 73 7.115 -10.114 -6.963 1.00 0.00 N ATOM 0 H ARG A 73 7.595 -13.340 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 73 6.436 -15.776 -2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.041 -13.395 -3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.552 -14.738 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.135 -14.347 -4.261 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.676 -12.920 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.322 -13.226 -6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.745 -12.644 -5.874 1.00 0.00 H new ATOM 0 HE ARG A 73 5.969 -10.827 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.729 -11.899 -4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.375 -10.912 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.151 -9.863 -7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.881 -9.732 -7.517 1.00 0.00 H new ATOM 1144 N ALA A 74 9.404 -15.666 -1.896 1.00 0.00 N ATOM 1145 CA ALA A 74 10.677 -16.440 -1.770 1.00 0.00 C ATOM 1146 C ALA A 74 10.473 -17.554 -0.727 1.00 0.00 C ATOM 1147 O ALA A 74 11.411 -18.040 -0.127 1.00 0.00 O ATOM 1148 CB ALA A 74 11.800 -15.500 -1.327 1.00 0.00 C ATOM 0 H ALA A 74 9.266 -14.935 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 74 10.948 -16.883 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.729 -16.062 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.926 -14.710 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.546 -15.058 -0.364 1.00 0.00 H new ATOM 1154 N LYS A 75 9.216 -17.908 -0.574 1.00 0.00 N ATOM 1155 CA LYS A 75 8.730 -18.963 0.364 1.00 0.00 C ATOM 1156 C LYS A 75 9.502 -18.857 1.671 1.00 0.00 C ATOM 1157 O LYS A 75 10.114 -19.784 2.165 1.00 0.00 O ATOM 1158 CB LYS A 75 8.933 -20.329 -0.338 1.00 0.00 C ATOM 1159 CG LYS A 75 8.271 -21.460 0.489 1.00 0.00 C ATOM 1160 CD LYS A 75 8.388 -22.776 -0.305 1.00 0.00 C ATOM 1161 CE LYS A 75 7.744 -23.918 0.495 1.00 0.00 C ATOM 1162 NZ LYS A 75 7.799 -25.183 -0.291 1.00 0.00 N ATOM 0 H LYS A 75 8.461 -17.472 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 75 7.674 -18.847 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.501 -20.300 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.998 -20.531 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.760 -21.557 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.224 -21.226 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.897 -22.674 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.436 -23.002 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.264 -24.047 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.709 -23.670 0.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.361 -25.951 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.284 -25.058 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.790 -25.423 -0.493 1.00 0.00 H new ATOM 1176 N GLY A 76 9.422 -17.658 2.177 1.00 0.00 N ATOM 1177 CA GLY A 76 10.099 -17.335 3.448 1.00 0.00 C ATOM 1178 C GLY A 76 9.112 -17.487 4.607 1.00 0.00 C ATOM 1179 O GLY A 76 9.236 -18.404 5.395 1.00 0.00 O ATOM 0 H GLY A 76 8.909 -16.885 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.953 -17.996 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.486 -16.316 3.417 1.00 0.00 H new ATOM 1183 N LYS A 77 8.166 -16.580 4.647 1.00 0.00 N ATOM 1184 CA LYS A 77 7.100 -16.552 5.706 1.00 0.00 C ATOM 1185 C LYS A 77 7.660 -16.686 7.153 1.00 0.00 C ATOM 1186 O LYS A 77 8.859 -16.764 7.335 1.00 0.00 O ATOM 1187 CB LYS A 77 6.099 -17.703 5.365 1.00 0.00 C ATOM 1188 CG LYS A 77 5.581 -17.528 3.902 1.00 0.00 C ATOM 1189 CD LYS A 77 4.280 -18.340 3.672 1.00 0.00 C ATOM 1190 CE LYS A 77 3.074 -17.633 4.341 1.00 0.00 C ATOM 1191 NZ LYS A 77 2.843 -16.300 3.708 1.00 0.00 N ATOM 0 H LYS A 77 8.084 -15.828 3.963 1.00 0.00 H new ATOM 0 HA LYS A 77 6.605 -15.581 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.590 -18.670 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.262 -17.689 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.395 -16.473 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.347 -17.856 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.097 -18.450 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.394 -19.344 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.181 -18.250 4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.261 -17.510 5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.821 -16.123 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.282 -15.558 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.265 -16.289 2.757 1.00 0.00 H new ATOM 1205 N PRO A 78 6.805 -16.698 8.158 1.00 0.00 N ATOM 1206 CA PRO A 78 7.222 -16.985 9.563 1.00 0.00 C ATOM 1207 C PRO A 78 7.806 -18.395 9.734 1.00 0.00 C ATOM 1208 O PRO A 78 8.455 -18.675 10.726 1.00 0.00 O ATOM 1209 CB PRO A 78 5.932 -16.731 10.389 1.00 0.00 C ATOM 1210 CG PRO A 78 5.120 -15.777 9.469 1.00 0.00 C ATOM 1211 CD PRO A 78 5.347 -16.403 8.089 1.00 0.00 C ATOM 0 HA PRO A 78 8.044 -16.352 9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.392 -17.656 10.591 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.152 -16.273 11.353 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.064 -15.751 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.487 -14.752 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.749 -17.302 7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.101 -15.718 7.278 1.00 0.00 H new ATOM 1219 N ASP A 79 7.552 -19.227 8.756 1.00 0.00 N ATOM 1220 CA ASP A 79 8.056 -20.629 8.780 1.00 0.00 C ATOM 1221 C ASP A 79 8.883 -20.925 7.513 1.00 0.00 C ATOM 1222 O ASP A 79 8.357 -21.329 6.492 1.00 0.00 O ATOM 1223 CB ASP A 79 6.847 -21.588 8.877 1.00 0.00 C ATOM 1224 CG ASP A 79 7.352 -23.038 9.042 1.00 0.00 C ATOM 1225 OD1 ASP A 79 7.871 -23.319 10.112 1.00 0.00 O ATOM 1226 OD2 ASP A 79 7.197 -23.789 8.091 1.00 0.00 O ATOM 0 H ASP A 79 7.007 -18.987 7.928 1.00 0.00 H new ATOM 0 HA ASP A 79 8.706 -20.772 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.218 -21.312 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.231 -21.506 7.981 1.00 0.00 H new ATOM 1231 N ALA A 80 10.166 -20.702 7.633 1.00 0.00 N ATOM 1232 CA ALA A 80 11.116 -20.946 6.497 1.00 0.00 C ATOM 1233 C ALA A 80 11.832 -22.295 6.706 1.00 0.00 C ATOM 1234 O ALA A 80 12.385 -22.854 5.779 1.00 0.00 O ATOM 1235 CB ALA A 80 12.148 -19.811 6.453 1.00 0.00 C ATOM 0 H ALA A 80 10.607 -20.355 8.485 1.00 0.00 H new ATOM 0 HA ALA A 80 10.567 -20.975 5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.842 -19.982 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.637 -18.860 6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.700 -19.784 7.393 1.00 0.00 H new ATOM 1241 N ALA A 81 11.791 -22.766 7.929 1.00 0.00 N ATOM 1242 CA ALA A 81 12.430 -24.063 8.307 1.00 0.00 C ATOM 1243 C ALA A 81 11.324 -25.039 8.758 1.00 0.00 C ATOM 1244 O ALA A 81 11.271 -26.108 8.171 1.00 0.00 O ATOM 1245 CB ALA A 81 13.427 -23.801 9.448 1.00 0.00 C ATOM 1246 OXT ALA A 81 10.591 -24.664 9.660 1.00 0.00 O ATOM 0 H ALA A 81 11.327 -22.289 8.702 1.00 0.00 H new ATOM 0 HA ALA A 81 12.965 -24.500 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.903 -24.738 9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.187 -23.096 9.112 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.898 -23.383 10.305 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -7.384 8.598 -0.543 1.00 0.00 C HETATM 1254 C2 BME A 82 -6.416 9.727 -0.192 1.00 0.00 C HETATM 1255 O1 BME A 82 -7.206 8.419 -1.941 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.361 10.273 1.532 1.00 0.00 S HETATM 0 HO1 BME A 82 -7.795 7.702 -2.257 1.00 0.00 H new HETATM 0 H22 BME A 82 -5.413 9.411 -0.477 1.00 0.00 H new HETATM 0 H21 BME A 82 -6.666 10.589 -0.810 1.00 0.00 H new HETATM 0 H12 BME A 82 -7.153 7.687 0.009 1.00 0.00 H new HETATM 0 H11 BME A 82 -8.413 8.864 -0.302 1.00 0.00 H new