USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 26 SER OG : rot -106:sc= 0.887 USER MOD Set 1.2: A 27 ASN :FLIP amide:sc= -1.44 F(o=-2.5,f=-1.5) USER MOD Set 1.3: A 31 TYR OH : rot 54:sc= -0.895 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.044 (180deg=-0.445) USER MOD Single : A 3 ASN : amide:sc= -0.0748 X(o=-0.075,f=-0.032) USER MOD Single : A 7 SER OG : rot 180:sc= -0.138 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 142:sc= 1.07 (180deg=-0.0996) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.583 K(o=0.58,f=-0.34) USER MOD Single : A 34 GLN : amide:sc= -0.376 K(o=-0.38,f=-0.96) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.22 F(o=-1.9,f=-1.2) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= -1.09! (180deg=-2.39!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.557 USER MOD Single : A 64 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.9!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 32:sc= 0.00304 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.956 -11.287 -5.581 1.00 0.00 N ATOM 2 CA MET A 1 14.883 -11.533 -6.585 1.00 0.00 C ATOM 3 C MET A 1 14.441 -12.996 -6.509 1.00 0.00 C ATOM 4 O MET A 1 15.243 -13.902 -6.629 1.00 0.00 O ATOM 5 CB MET A 1 15.417 -11.232 -7.989 1.00 0.00 C ATOM 6 CG MET A 1 15.728 -9.739 -8.115 1.00 0.00 C ATOM 7 SD MET A 1 16.395 -9.398 -9.763 1.00 0.00 S ATOM 8 CE MET A 1 17.282 -7.878 -9.344 1.00 0.00 C ATOM 0 H1 MET A 1 16.034 -10.266 -5.399 1.00 0.00 H new ATOM 0 H2 MET A 1 15.722 -11.780 -4.695 1.00 0.00 H new ATOM 0 H3 MET A 1 16.862 -11.643 -5.947 1.00 0.00 H new ATOM 0 HA MET A 1 14.032 -10.885 -6.375 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.316 -11.818 -8.180 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.681 -11.524 -8.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.824 -9.153 -7.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.446 -9.441 -7.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.777 -7.489 -10.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.577 -7.137 -8.968 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.028 -8.091 -8.578 1.00 0.00 H new ATOM 18 N ALA A 2 13.170 -13.234 -6.312 1.00 0.00 N ATOM 19 CA ALA A 2 12.672 -14.638 -6.228 1.00 0.00 C ATOM 20 C ALA A 2 12.583 -15.232 -7.636 1.00 0.00 C ATOM 21 O ALA A 2 13.182 -16.250 -7.927 1.00 0.00 O ATOM 22 CB ALA A 2 11.286 -14.649 -5.578 1.00 0.00 C ATOM 0 H ALA A 2 12.455 -12.515 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 2 13.359 -15.233 -5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.921 -15.674 -5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.351 -14.226 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.598 -14.055 -6.179 1.00 0.00 H new ATOM 28 N ASN A 3 11.838 -14.602 -8.510 1.00 0.00 N ATOM 29 CA ASN A 3 11.700 -15.118 -9.905 1.00 0.00 C ATOM 30 C ASN A 3 11.229 -16.577 -9.872 1.00 0.00 C ATOM 31 O ASN A 3 11.790 -17.439 -10.521 1.00 0.00 O ATOM 32 CB ASN A 3 13.052 -15.021 -10.624 1.00 0.00 C ATOM 33 CG ASN A 3 12.836 -15.104 -12.137 1.00 0.00 C ATOM 34 OD1 ASN A 3 13.274 -16.040 -12.775 1.00 0.00 O ATOM 35 ND2 ASN A 3 12.174 -14.158 -12.743 1.00 0.00 N ATOM 0 H ASN A 3 11.317 -13.747 -8.315 1.00 0.00 H new ATOM 0 HA ASN A 3 10.965 -14.519 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 3 13.545 -14.083 -10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.709 -15.827 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.025 -14.205 -13.751 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.805 -13.371 -12.209 1.00 0.00 H new ATOM 42 N ALA A 4 10.198 -16.857 -9.117 1.00 0.00 N ATOM 43 CA ALA A 4 9.682 -18.254 -9.032 1.00 0.00 C ATOM 44 C ALA A 4 8.803 -18.550 -10.254 1.00 0.00 C ATOM 45 O ALA A 4 8.922 -17.915 -11.284 1.00 0.00 O ATOM 46 CB ALA A 4 8.856 -18.412 -7.752 1.00 0.00 C ATOM 0 H ALA A 4 9.690 -16.175 -8.554 1.00 0.00 H new ATOM 0 HA ALA A 4 10.518 -18.953 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.477 -19.432 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.483 -18.202 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.018 -17.715 -7.771 1.00 0.00 H new ATOM 52 N LEU A 5 7.922 -19.510 -10.144 1.00 0.00 N ATOM 53 CA LEU A 5 7.031 -19.853 -11.292 1.00 0.00 C ATOM 54 C LEU A 5 5.975 -18.755 -11.469 1.00 0.00 C ATOM 55 O LEU A 5 6.092 -17.675 -10.922 1.00 0.00 O ATOM 56 CB LEU A 5 6.341 -21.194 -11.017 1.00 0.00 C ATOM 57 CG LEU A 5 5.529 -21.105 -9.717 1.00 0.00 C ATOM 58 CD1 LEU A 5 4.056 -21.408 -10.007 1.00 0.00 C ATOM 59 CD2 LEU A 5 6.067 -22.122 -8.705 1.00 0.00 C ATOM 0 H LEU A 5 7.781 -20.073 -9.305 1.00 0.00 H new ATOM 0 HA LEU A 5 7.624 -19.931 -12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.686 -21.453 -11.849 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.085 -21.987 -10.938 1.00 0.00 H new ATOM 0 HG LEU A 5 5.618 -20.099 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.482 -21.344 -9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.670 -20.684 -10.724 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.966 -22.412 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.490 -22.058 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.980 -23.127 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.114 -21.906 -8.493 1.00 0.00 H new ATOM 71 N ALA A 6 4.943 -19.026 -12.228 1.00 0.00 N ATOM 72 CA ALA A 6 3.877 -18.004 -12.441 1.00 0.00 C ATOM 73 C ALA A 6 3.202 -17.689 -11.101 1.00 0.00 C ATOM 74 O ALA A 6 2.311 -18.391 -10.662 1.00 0.00 O ATOM 75 CB ALA A 6 2.838 -18.549 -13.425 1.00 0.00 C ATOM 0 H ALA A 6 4.794 -19.913 -12.709 1.00 0.00 H new ATOM 0 HA ALA A 6 4.317 -17.094 -12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.059 -17.803 -13.581 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.321 -18.774 -14.376 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.394 -19.458 -13.019 1.00 0.00 H new ATOM 81 N SER A 7 3.629 -16.640 -10.448 1.00 0.00 N ATOM 82 CA SER A 7 3.025 -16.272 -9.133 1.00 0.00 C ATOM 83 C SER A 7 3.133 -14.758 -8.931 1.00 0.00 C ATOM 84 O SER A 7 3.380 -14.019 -9.863 1.00 0.00 O ATOM 85 CB SER A 7 3.773 -16.996 -8.010 1.00 0.00 C ATOM 86 OG SER A 7 3.803 -18.391 -8.285 1.00 0.00 O ATOM 0 H SER A 7 4.372 -16.020 -10.770 1.00 0.00 H new ATOM 0 HA SER A 7 1.975 -16.566 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.788 -16.609 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.282 -16.813 -7.054 1.00 0.00 H new ATOM 0 HG SER A 7 4.283 -18.856 -7.568 1.00 0.00 H new ATOM 92 N ALA A 8 2.947 -14.297 -7.717 1.00 0.00 N ATOM 93 CA ALA A 8 3.033 -12.830 -7.434 1.00 0.00 C ATOM 94 C ALA A 8 1.834 -12.112 -8.064 1.00 0.00 C ATOM 95 O ALA A 8 1.576 -12.232 -9.247 1.00 0.00 O ATOM 96 CB ALA A 8 4.338 -12.261 -8.007 1.00 0.00 C ATOM 0 H ALA A 8 2.738 -14.878 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 8 3.021 -12.674 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.393 -11.193 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.188 -12.765 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.362 -12.420 -9.085 1.00 0.00 H new ATOM 102 N THR A 9 1.100 -11.366 -7.278 1.00 0.00 N ATOM 103 CA THR A 9 -0.084 -10.640 -7.825 1.00 0.00 C ATOM 104 C THR A 9 0.081 -9.135 -7.594 1.00 0.00 C ATOM 105 O THR A 9 0.892 -8.703 -6.798 1.00 0.00 O ATOM 106 CB THR A 9 -1.357 -11.130 -7.127 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.321 -10.749 -5.758 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.451 -12.654 -7.230 1.00 0.00 C ATOM 0 H THR A 9 1.270 -11.229 -6.282 1.00 0.00 H new ATOM 0 HA THR A 9 -0.161 -10.834 -8.895 1.00 0.00 H new ATOM 0 HB THR A 9 -2.227 -10.683 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.135 -11.060 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.358 -12.997 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.480 -12.947 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.582 -13.105 -6.752 1.00 0.00 H new ATOM 116 N CYS A 10 -0.682 -8.339 -8.296 1.00 0.00 N ATOM 117 CA CYS A 10 -0.581 -6.854 -8.149 1.00 0.00 C ATOM 118 C CYS A 10 -0.913 -6.429 -6.720 1.00 0.00 C ATOM 119 O CYS A 10 -1.781 -6.977 -6.070 1.00 0.00 O ATOM 120 CB CYS A 10 -1.531 -6.190 -9.141 1.00 0.00 C ATOM 121 SG CYS A 10 -1.184 -4.420 -9.244 1.00 0.00 S ATOM 0 H CYS A 10 -1.378 -8.656 -8.971 1.00 0.00 H new ATOM 0 HA CYS A 10 0.441 -6.539 -8.360 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.421 -6.648 -10.124 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.563 -6.349 -8.829 1.00 0.00 H new ATOM 126 N GLU A 11 -0.197 -5.454 -6.236 1.00 0.00 N ATOM 127 CA GLU A 11 -0.400 -4.952 -4.850 1.00 0.00 C ATOM 128 C GLU A 11 -1.611 -4.009 -4.795 1.00 0.00 C ATOM 129 O GLU A 11 -1.756 -3.220 -3.882 1.00 0.00 O ATOM 130 CB GLU A 11 0.864 -4.190 -4.453 1.00 0.00 C ATOM 131 CG GLU A 11 0.841 -3.859 -2.956 1.00 0.00 C ATOM 132 CD GLU A 11 1.876 -4.718 -2.222 1.00 0.00 C ATOM 133 OE1 GLU A 11 3.033 -4.684 -2.613 1.00 0.00 O ATOM 134 OE2 GLU A 11 1.496 -5.396 -1.282 1.00 0.00 O ATOM 0 H GLU A 11 0.537 -4.973 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.587 -5.782 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.745 -4.788 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.940 -3.271 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.058 -2.802 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.153 -4.042 -2.548 1.00 0.00 H new ATOM 141 N ARG A 12 -2.475 -4.080 -5.769 1.00 0.00 N ATOM 142 CA ARG A 12 -3.668 -3.184 -5.784 1.00 0.00 C ATOM 143 C ARG A 12 -4.818 -3.910 -6.477 1.00 0.00 C ATOM 144 O ARG A 12 -5.931 -3.947 -5.987 1.00 0.00 O ATOM 145 CB ARG A 12 -3.339 -1.893 -6.554 1.00 0.00 C ATOM 146 CG ARG A 12 -2.113 -2.114 -7.453 1.00 0.00 C ATOM 147 CD ARG A 12 -1.438 -0.782 -7.773 1.00 0.00 C ATOM 148 NE ARG A 12 -0.008 -0.830 -7.326 1.00 0.00 N ATOM 149 CZ ARG A 12 0.320 -1.134 -6.095 1.00 0.00 C ATOM 150 NH1 ARG A 12 -0.600 -1.297 -5.188 1.00 0.00 N ATOM 151 NH2 ARG A 12 1.574 -1.253 -5.768 1.00 0.00 N ATOM 0 H ARG A 12 -2.407 -4.722 -6.559 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.949 -2.927 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.194 -1.593 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.144 -1.081 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.405 -2.777 -6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.416 -2.606 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.490 -0.583 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.960 0.033 -7.272 1.00 0.00 H new ATOM 0 HE ARG A 12 0.729 -0.620 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.584 -1.188 -5.434 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.337 -1.534 -4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.300 -1.110 -6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.831 -1.490 -4.810 1.00 0.00 H new ATOM 165 N CYS A 13 -4.547 -4.493 -7.611 1.00 0.00 N ATOM 166 CA CYS A 13 -5.604 -5.231 -8.356 1.00 0.00 C ATOM 167 C CYS A 13 -5.448 -6.731 -8.089 1.00 0.00 C ATOM 168 O CYS A 13 -6.323 -7.519 -8.392 1.00 0.00 O ATOM 169 CB CYS A 13 -5.445 -4.956 -9.853 1.00 0.00 C ATOM 170 SG CYS A 13 -4.398 -6.233 -10.590 1.00 0.00 S ATOM 0 H CYS A 13 -3.630 -4.490 -8.057 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.591 -4.903 -8.029 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.421 -4.946 -10.338 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.002 -3.972 -10.008 1.00 0.00 H new ATOM 175 N LYS A 14 -4.333 -7.122 -7.523 1.00 0.00 N ATOM 176 CA LYS A 14 -4.088 -8.565 -7.223 1.00 0.00 C ATOM 177 C LYS A 14 -4.161 -9.379 -8.517 1.00 0.00 C ATOM 178 O LYS A 14 -4.725 -10.455 -8.556 1.00 0.00 O ATOM 179 CB LYS A 14 -5.132 -9.073 -6.218 1.00 0.00 C ATOM 180 CG LYS A 14 -4.848 -8.481 -4.832 1.00 0.00 C ATOM 181 CD LYS A 14 -5.177 -6.984 -4.830 1.00 0.00 C ATOM 182 CE LYS A 14 -5.400 -6.506 -3.395 1.00 0.00 C ATOM 183 NZ LYS A 14 -5.584 -5.028 -3.389 1.00 0.00 N ATOM 0 H LYS A 14 -3.575 -6.495 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.096 -8.680 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.133 -8.792 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.106 -10.162 -6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.444 -8.995 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.801 -8.633 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.363 -6.423 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.069 -6.797 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.277 -6.994 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.548 -6.780 -2.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.308 -4.771 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.685 -4.567 -3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.888 -4.712 -4.332 1.00 0.00 H new ATOM 197 N GLY A 15 -3.575 -8.877 -9.573 1.00 0.00 N ATOM 198 CA GLY A 15 -3.590 -9.622 -10.863 1.00 0.00 C ATOM 199 C GLY A 15 -2.308 -10.445 -10.964 1.00 0.00 C ATOM 200 O GLY A 15 -1.216 -9.914 -10.898 1.00 0.00 O ATOM 0 H GLY A 15 -3.087 -7.982 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.463 -10.273 -10.914 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.661 -8.928 -11.700 1.00 0.00 H new ATOM 204 N GLY A 16 -2.432 -11.738 -11.105 1.00 0.00 N ATOM 205 CA GLY A 16 -1.222 -12.605 -11.192 1.00 0.00 C ATOM 206 C GLY A 16 -0.355 -12.186 -12.381 1.00 0.00 C ATOM 207 O GLY A 16 -0.591 -12.587 -13.504 1.00 0.00 O ATOM 0 H GLY A 16 -3.322 -12.232 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.646 -12.532 -10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.520 -13.648 -11.300 1.00 0.00 H new ATOM 211 N PHE A 17 0.659 -11.396 -12.135 1.00 0.00 N ATOM 212 CA PHE A 17 1.563 -10.962 -13.242 1.00 0.00 C ATOM 213 C PHE A 17 2.898 -11.702 -13.101 1.00 0.00 C ATOM 214 O PHE A 17 3.030 -12.587 -12.276 1.00 0.00 O ATOM 215 CB PHE A 17 1.779 -9.437 -13.192 1.00 0.00 C ATOM 216 CG PHE A 17 1.929 -8.927 -11.767 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.435 -9.754 -10.751 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.583 -7.598 -11.468 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.587 -9.257 -9.454 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.743 -7.107 -10.174 1.00 0.00 C ATOM 221 CZ PHE A 17 2.244 -7.935 -9.168 1.00 0.00 C ATOM 0 H PHE A 17 0.900 -11.032 -11.213 1.00 0.00 H new ATOM 0 HA PHE A 17 1.112 -11.203 -14.205 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.670 -9.178 -13.765 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.937 -8.936 -13.669 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.707 -10.775 -10.972 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.192 -6.956 -12.243 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.970 -9.896 -8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.479 -6.084 -9.949 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.366 -7.551 -8.166 1.00 0.00 H new ATOM 231 N ALA A 18 3.890 -11.371 -13.894 1.00 0.00 N ATOM 232 CA ALA A 18 5.194 -12.095 -13.772 1.00 0.00 C ATOM 233 C ALA A 18 6.230 -11.604 -14.803 1.00 0.00 C ATOM 234 O ALA A 18 7.344 -11.294 -14.431 1.00 0.00 O ATOM 235 CB ALA A 18 4.963 -13.598 -13.969 1.00 0.00 C ATOM 0 H ALA A 18 3.855 -10.644 -14.608 1.00 0.00 H new ATOM 0 HA ALA A 18 5.591 -11.893 -12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.912 -14.127 -13.880 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.272 -13.963 -13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.540 -13.775 -14.958 1.00 0.00 H new ATOM 241 N PRO A 19 5.859 -11.577 -16.069 1.00 0.00 N ATOM 242 CA PRO A 19 6.786 -11.165 -17.147 1.00 0.00 C ATOM 243 C PRO A 19 7.410 -9.786 -16.866 1.00 0.00 C ATOM 244 O PRO A 19 8.457 -9.693 -16.254 1.00 0.00 O ATOM 245 CB PRO A 19 5.929 -11.160 -18.426 1.00 0.00 C ATOM 246 CG PRO A 19 4.519 -11.683 -18.047 1.00 0.00 C ATOM 247 CD PRO A 19 4.504 -11.945 -16.532 1.00 0.00 C ATOM 0 HA PRO A 19 7.635 -11.843 -17.234 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.866 -10.154 -18.841 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.379 -11.792 -19.191 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.756 -10.952 -18.315 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.291 -12.597 -18.595 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.741 -11.346 -16.035 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.282 -12.990 -16.314 1.00 0.00 H new ATOM 255 N ALA A 20 6.797 -8.718 -17.310 1.00 0.00 N ATOM 256 CA ALA A 20 7.382 -7.365 -17.067 1.00 0.00 C ATOM 257 C ALA A 20 6.369 -6.295 -17.471 1.00 0.00 C ATOM 258 O ALA A 20 6.128 -5.350 -16.746 1.00 0.00 O ATOM 259 CB ALA A 20 8.657 -7.199 -17.900 1.00 0.00 C ATOM 0 H ALA A 20 5.919 -8.724 -17.829 1.00 0.00 H new ATOM 0 HA ALA A 20 7.624 -7.259 -16.010 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.082 -6.211 -17.721 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.380 -7.963 -17.614 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.417 -7.305 -18.958 1.00 0.00 H new ATOM 265 N GLU A 21 5.760 -6.447 -18.618 1.00 0.00 N ATOM 266 CA GLU A 21 4.746 -5.452 -19.063 1.00 0.00 C ATOM 267 C GLU A 21 3.618 -5.452 -18.041 1.00 0.00 C ATOM 268 O GLU A 21 2.872 -4.502 -17.911 1.00 0.00 O ATOM 269 CB GLU A 21 4.191 -5.846 -20.437 1.00 0.00 C ATOM 270 CG GLU A 21 5.326 -6.345 -21.340 1.00 0.00 C ATOM 271 CD GLU A 21 5.476 -7.863 -21.192 1.00 0.00 C ATOM 272 OE1 GLU A 21 4.633 -8.576 -21.712 1.00 0.00 O ATOM 273 OE2 GLU A 21 6.429 -8.287 -20.558 1.00 0.00 O ATOM 0 H GLU A 21 5.923 -7.219 -19.265 1.00 0.00 H new ATOM 0 HA GLU A 21 5.197 -4.463 -19.142 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.437 -6.625 -20.324 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.698 -4.990 -20.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.116 -6.090 -22.379 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.260 -5.850 -21.073 1.00 0.00 H new ATOM 280 N LYS A 22 3.507 -6.526 -17.307 1.00 0.00 N ATOM 281 CA LYS A 22 2.450 -6.632 -16.273 1.00 0.00 C ATOM 282 C LYS A 22 3.096 -6.524 -14.888 1.00 0.00 C ATOM 283 O LYS A 22 2.486 -6.071 -13.942 1.00 0.00 O ATOM 284 CB LYS A 22 1.742 -7.985 -16.405 1.00 0.00 C ATOM 285 CG LYS A 22 1.297 -8.194 -17.857 1.00 0.00 C ATOM 286 CD LYS A 22 0.843 -9.643 -18.052 1.00 0.00 C ATOM 287 CE LYS A 22 0.920 -10.011 -19.535 1.00 0.00 C ATOM 288 NZ LYS A 22 0.696 -11.476 -19.695 1.00 0.00 N ATOM 0 H LYS A 22 4.114 -7.342 -17.384 1.00 0.00 H new ATOM 0 HA LYS A 22 1.722 -5.831 -16.403 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.412 -8.789 -16.100 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.879 -8.021 -15.741 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.483 -7.511 -18.100 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.118 -7.965 -18.536 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.473 -10.314 -17.468 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.177 -9.767 -17.689 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.171 -9.454 -20.098 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.894 -9.735 -19.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.748 -11.727 -20.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.426 -11.998 -19.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.243 -11.726 -19.324 1.00 0.00 H new ATOM 302 N ILE A 23 4.332 -6.940 -14.769 1.00 0.00 N ATOM 303 CA ILE A 23 5.025 -6.867 -13.450 1.00 0.00 C ATOM 304 C ILE A 23 5.860 -5.582 -13.379 1.00 0.00 C ATOM 305 O ILE A 23 6.789 -5.389 -14.138 1.00 0.00 O ATOM 306 CB ILE A 23 5.923 -8.114 -13.277 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.324 -9.033 -12.203 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.347 -7.718 -12.860 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.273 -8.306 -10.856 1.00 0.00 C ATOM 0 H ILE A 23 4.890 -7.327 -15.530 1.00 0.00 H new ATOM 0 HA ILE A 23 4.292 -6.847 -12.644 1.00 0.00 H new ATOM 0 HB ILE A 23 5.972 -8.633 -14.234 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.321 -9.342 -12.496 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.923 -9.939 -12.113 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.955 -8.615 -12.746 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.785 -7.077 -13.625 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.312 -7.180 -11.913 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.846 -8.967 -10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.282 -8.019 -10.559 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.654 -7.413 -10.948 1.00 0.00 H new ATOM 321 N VAL A 24 5.533 -4.707 -12.465 1.00 0.00 N ATOM 322 CA VAL A 24 6.305 -3.438 -12.323 1.00 0.00 C ATOM 323 C VAL A 24 6.491 -3.154 -10.835 1.00 0.00 C ATOM 324 O VAL A 24 5.544 -2.871 -10.133 1.00 0.00 O ATOM 325 CB VAL A 24 5.539 -2.272 -12.963 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.514 -1.136 -13.287 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.855 -2.739 -14.254 1.00 0.00 C ATOM 0 H VAL A 24 4.761 -4.817 -11.808 1.00 0.00 H new ATOM 0 HA VAL A 24 7.269 -3.541 -12.822 1.00 0.00 H new ATOM 0 HB VAL A 24 4.781 -1.918 -12.264 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.970 -0.308 -13.742 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.993 -0.795 -12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.274 -1.495 -13.981 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.314 -1.905 -14.701 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.608 -3.100 -14.954 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.156 -3.544 -14.025 1.00 0.00 H new ATOM 337 N ASN A 25 7.698 -3.231 -10.344 1.00 0.00 N ATOM 338 CA ASN A 25 7.930 -2.961 -8.897 1.00 0.00 C ATOM 339 C ASN A 25 8.537 -1.571 -8.735 1.00 0.00 C ATOM 340 O ASN A 25 9.259 -1.092 -9.588 1.00 0.00 O ATOM 341 CB ASN A 25 8.878 -4.017 -8.318 1.00 0.00 C ATOM 342 CG ASN A 25 9.590 -3.461 -7.081 1.00 0.00 C ATOM 343 OD1 ASN A 25 10.786 -3.249 -7.097 1.00 0.00 O ATOM 344 ND2 ASN A 25 8.900 -3.213 -6.001 1.00 0.00 N ATOM 0 H ASN A 25 8.532 -3.469 -10.881 1.00 0.00 H new ATOM 0 HA ASN A 25 6.982 -3.006 -8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.318 -4.914 -8.053 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.612 -4.310 -9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.365 -2.842 -5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.896 -3.390 -5.986 1.00 0.00 H new ATOM 351 N SER A 26 8.243 -0.921 -7.645 1.00 0.00 N ATOM 352 CA SER A 26 8.791 0.441 -7.413 1.00 0.00 C ATOM 353 C SER A 26 8.897 0.686 -5.906 1.00 0.00 C ATOM 354 O SER A 26 7.970 0.424 -5.162 1.00 0.00 O ATOM 355 CB SER A 26 7.856 1.473 -8.050 1.00 0.00 C ATOM 356 OG SER A 26 6.866 1.861 -7.108 1.00 0.00 O ATOM 0 H SER A 26 7.643 -1.278 -6.901 1.00 0.00 H new ATOM 0 HA SER A 26 9.780 0.531 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.425 2.344 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.384 1.052 -8.938 1.00 0.00 H new ATOM 0 HG SER A 26 6.007 1.458 -7.352 1.00 0.00 H new ATOM 362 N ASN A 27 10.023 1.180 -5.455 1.00 0.00 N ATOM 363 CA ASN A 27 10.211 1.447 -3.997 1.00 0.00 C ATOM 364 C ASN A 27 10.054 0.143 -3.204 1.00 0.00 C ATOM 365 O ASN A 27 11.021 -0.526 -2.895 1.00 0.00 O ATOM 366 CB ASN A 27 9.182 2.478 -3.522 1.00 0.00 C ATOM 367 CG ASN A 27 9.267 3.727 -4.399 1.00 0.00 C ATOM 368 OD1 ASN A 27 8.565 3.788 -5.497 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 9.980 4.659 -4.083 1.00 0.00 N flip ATOM 0 H ASN A 27 10.826 1.411 -6.040 1.00 0.00 H new ATOM 0 HA ASN A 27 11.213 1.843 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.179 2.055 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.368 2.739 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.529 4.613 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.029 5.488 -4.676 1.00 0.00 H new ATOM 376 N GLY A 28 8.844 -0.221 -2.878 1.00 0.00 N ATOM 377 CA GLY A 28 8.612 -1.479 -2.110 1.00 0.00 C ATOM 378 C GLY A 28 7.185 -1.975 -2.361 1.00 0.00 C ATOM 379 O GLY A 28 6.482 -2.355 -1.445 1.00 0.00 O ATOM 0 H GLY A 28 8.000 0.302 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.331 -2.240 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.765 -1.301 -1.045 1.00 0.00 H new ATOM 383 N GLU A 29 6.755 -1.967 -3.595 1.00 0.00 N ATOM 384 CA GLU A 29 5.372 -2.430 -3.920 1.00 0.00 C ATOM 385 C GLU A 29 5.338 -2.968 -5.354 1.00 0.00 C ATOM 386 O GLU A 29 6.236 -2.722 -6.136 1.00 0.00 O ATOM 387 CB GLU A 29 4.408 -1.244 -3.805 1.00 0.00 C ATOM 388 CG GLU A 29 3.604 -1.346 -2.509 1.00 0.00 C ATOM 389 CD GLU A 29 2.597 -0.194 -2.443 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.571 -0.292 -3.097 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.871 0.767 -1.743 1.00 0.00 O ATOM 0 H GLU A 29 7.305 -1.658 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 29 5.077 -3.218 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.966 -0.308 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.733 -1.229 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.083 -2.302 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.273 -1.309 -1.649 1.00 0.00 H new ATOM 398 N LEU A 30 4.305 -3.693 -5.710 1.00 0.00 N ATOM 399 CA LEU A 30 4.209 -4.236 -7.095 1.00 0.00 C ATOM 400 C LEU A 30 3.004 -3.603 -7.788 1.00 0.00 C ATOM 401 O LEU A 30 1.905 -3.607 -7.265 1.00 0.00 O ATOM 402 CB LEU A 30 4.019 -5.755 -7.044 1.00 0.00 C ATOM 403 CG LEU A 30 5.367 -6.470 -7.193 1.00 0.00 C ATOM 404 CD1 LEU A 30 5.964 -6.165 -8.570 1.00 0.00 C ATOM 405 CD2 LEU A 30 6.331 -5.998 -6.098 1.00 0.00 C ATOM 0 H LEU A 30 3.525 -3.931 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 30 5.123 -4.007 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.553 -6.038 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.344 -6.070 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 30 5.213 -7.545 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.922 -6.675 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.283 -6.513 -9.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.112 -5.090 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.287 -6.510 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.483 -4.922 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.909 -6.226 -5.119 1.00 0.00 H new ATOM 417 N TYR A 31 3.199 -3.059 -8.957 1.00 0.00 N ATOM 418 CA TYR A 31 2.065 -2.423 -9.683 1.00 0.00 C ATOM 419 C TYR A 31 2.033 -2.914 -11.125 1.00 0.00 C ATOM 420 O TYR A 31 3.045 -3.255 -11.707 1.00 0.00 O ATOM 421 CB TYR A 31 2.224 -0.886 -9.738 1.00 0.00 C ATOM 422 CG TYR A 31 2.918 -0.312 -8.513 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.204 -0.740 -8.149 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.279 0.682 -7.760 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.841 -0.179 -7.038 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.915 1.241 -6.647 1.00 0.00 C ATOM 427 CZ TYR A 31 4.196 0.810 -6.285 1.00 0.00 C ATOM 428 OH TYR A 31 4.826 1.370 -5.192 1.00 0.00 O ATOM 0 H TYR A 31 4.096 -3.028 -9.441 1.00 0.00 H new ATOM 0 HA TYR A 31 1.153 -2.688 -9.148 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.792 -0.618 -10.629 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.240 -0.429 -9.838 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.702 -1.504 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.292 1.018 -8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.831 -0.509 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.418 2.005 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 31 5.703 1.714 -5.461 1.00 0.00 H new ATOM 438 N HIS A 32 0.872 -2.898 -11.715 1.00 0.00 N ATOM 439 CA HIS A 32 0.747 -3.296 -13.147 1.00 0.00 C ATOM 440 C HIS A 32 1.081 -2.068 -13.981 1.00 0.00 C ATOM 441 O HIS A 32 1.347 -1.007 -13.449 1.00 0.00 O ATOM 442 CB HIS A 32 -0.694 -3.701 -13.465 1.00 0.00 C ATOM 443 CG HIS A 32 -0.852 -5.188 -13.394 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.619 -5.782 -12.418 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.370 -6.208 -14.171 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.581 -7.110 -12.621 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.834 -7.425 -13.680 1.00 0.00 N ATOM 0 H HIS A 32 -0.002 -2.625 -11.266 1.00 0.00 H new ATOM 0 HA HIS A 32 1.409 -4.135 -13.359 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.375 -3.224 -12.761 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.965 -3.348 -14.460 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.271 -6.087 -15.032 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.092 -7.833 -12.003 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.644 -8.356 -14.050 1.00 0.00 H new ATOM 455 N GLU A 33 1.044 -2.177 -15.275 1.00 0.00 N ATOM 456 CA GLU A 33 1.334 -0.983 -16.107 1.00 0.00 C ATOM 457 C GLU A 33 0.106 -0.066 -16.098 1.00 0.00 C ATOM 458 O GLU A 33 0.126 1.023 -16.639 1.00 0.00 O ATOM 459 CB GLU A 33 1.665 -1.411 -17.541 1.00 0.00 C ATOM 460 CG GLU A 33 0.532 -2.283 -18.100 1.00 0.00 C ATOM 461 CD GLU A 33 -0.103 -1.592 -19.311 1.00 0.00 C ATOM 462 OE1 GLU A 33 -0.739 -0.570 -19.119 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.058 -2.098 -20.408 1.00 0.00 O ATOM 0 H GLU A 33 0.828 -3.031 -15.789 1.00 0.00 H new ATOM 0 HA GLU A 33 2.193 -0.449 -15.701 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.803 -0.531 -18.170 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.604 -1.965 -17.557 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.921 -3.260 -18.389 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.221 -2.454 -17.331 1.00 0.00 H new ATOM 470 N GLN A 34 -0.960 -0.503 -15.475 1.00 0.00 N ATOM 471 CA GLN A 34 -2.195 0.329 -15.410 1.00 0.00 C ATOM 472 C GLN A 34 -2.928 0.047 -14.095 1.00 0.00 C ATOM 473 O GLN A 34 -4.126 -0.158 -14.066 1.00 0.00 O ATOM 474 CB GLN A 34 -3.103 -0.005 -16.600 1.00 0.00 C ATOM 475 CG GLN A 34 -4.209 1.051 -16.721 1.00 0.00 C ATOM 476 CD GLN A 34 -4.694 1.128 -18.171 1.00 0.00 C ATOM 477 OE1 GLN A 34 -5.015 2.193 -18.659 1.00 0.00 O ATOM 478 NE2 GLN A 34 -4.765 0.038 -18.884 1.00 0.00 N ATOM 0 H GLN A 34 -1.025 -1.407 -15.006 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.929 1.385 -15.453 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.517 -0.038 -17.518 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.544 -0.993 -16.467 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.040 0.798 -16.063 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.833 2.023 -16.401 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.496 -0.857 -18.476 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.090 0.081 -19.850 1.00 0.00 H new ATOM 487 N CYS A 35 -2.210 0.052 -13.003 1.00 0.00 N ATOM 488 CA CYS A 35 -2.848 -0.199 -11.676 1.00 0.00 C ATOM 489 C CYS A 35 -2.386 0.877 -10.699 1.00 0.00 C ATOM 490 O CYS A 35 -2.996 1.091 -9.672 1.00 0.00 O ATOM 491 CB CYS A 35 -2.432 -1.569 -11.139 1.00 0.00 C ATOM 492 SG CYS A 35 -3.422 -2.868 -11.922 1.00 0.00 S ATOM 0 H CYS A 35 -1.204 0.220 -12.972 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.932 -0.175 -11.788 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.373 -1.739 -11.335 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.565 -1.601 -10.058 1.00 0.00 H new ATOM 497 N PHE A 36 -1.307 1.549 -11.020 1.00 0.00 N ATOM 498 CA PHE A 36 -0.776 2.623 -10.127 1.00 0.00 C ATOM 499 C PHE A 36 -1.943 3.443 -9.561 1.00 0.00 C ATOM 500 O PHE A 36 -2.450 4.338 -10.210 1.00 0.00 O ATOM 501 CB PHE A 36 0.148 3.536 -10.939 1.00 0.00 C ATOM 502 CG PHE A 36 1.509 2.896 -11.073 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.687 1.789 -11.907 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.592 3.417 -10.364 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.952 1.203 -12.030 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.857 2.833 -10.482 1.00 0.00 C ATOM 507 CZ PHE A 36 4.037 1.725 -11.316 1.00 0.00 C ATOM 0 H PHE A 36 -0.767 1.396 -11.872 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.219 2.176 -9.303 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.278 3.716 -11.926 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.238 4.506 -10.449 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.849 1.386 -12.456 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.453 4.274 -9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.091 0.348 -12.676 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.693 3.237 -9.930 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.013 1.272 -11.409 1.00 0.00 H new ATOM 517 N VAL A 37 -2.380 3.132 -8.363 1.00 0.00 N ATOM 518 CA VAL A 37 -3.527 3.878 -7.758 1.00 0.00 C ATOM 519 C VAL A 37 -3.030 4.854 -6.692 1.00 0.00 C ATOM 520 O VAL A 37 -1.927 4.750 -6.192 1.00 0.00 O ATOM 521 CB VAL A 37 -4.528 2.906 -7.111 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.679 2.634 -8.082 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.849 1.578 -6.765 1.00 0.00 C ATOM 0 H VAL A 37 -1.990 2.393 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.021 4.429 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.906 3.362 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.388 1.945 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.184 3.570 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.286 2.193 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.576 0.906 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.455 1.123 -7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.032 1.758 -6.066 1.00 0.00 H new ATOM 533 N CYS A 38 -3.858 5.800 -6.342 1.00 0.00 N ATOM 534 CA CYS A 38 -3.484 6.805 -5.306 1.00 0.00 C ATOM 535 C CYS A 38 -3.855 6.264 -3.924 1.00 0.00 C ATOM 536 O CYS A 38 -4.992 5.925 -3.668 1.00 0.00 O ATOM 537 CB CYS A 38 -4.263 8.096 -5.575 1.00 0.00 C ATOM 538 SG CYS A 38 -3.614 9.456 -4.566 1.00 0.00 S ATOM 0 H CYS A 38 -4.791 5.921 -6.736 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.413 7.003 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.194 8.355 -6.632 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.319 7.943 -5.352 1.00 0.00 H new ATOM 543 N ALA A 39 -2.908 6.178 -3.031 1.00 0.00 N ATOM 544 CA ALA A 39 -3.206 5.661 -1.661 1.00 0.00 C ATOM 545 C ALA A 39 -4.319 6.502 -1.020 1.00 0.00 C ATOM 546 O ALA A 39 -4.796 6.193 0.056 1.00 0.00 O ATOM 547 CB ALA A 39 -1.942 5.744 -0.797 1.00 0.00 C ATOM 0 H ALA A 39 -1.936 6.444 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.533 4.624 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.159 5.367 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.153 5.143 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.614 6.781 -0.730 1.00 0.00 H new ATOM 553 N GLN A 40 -4.734 7.560 -1.672 1.00 0.00 N ATOM 554 CA GLN A 40 -5.812 8.424 -1.105 1.00 0.00 C ATOM 555 C GLN A 40 -7.070 8.325 -1.978 1.00 0.00 C ATOM 556 O GLN A 40 -8.103 7.861 -1.533 1.00 0.00 O ATOM 557 CB GLN A 40 -5.321 9.875 -1.062 1.00 0.00 C ATOM 558 CG GLN A 40 -4.022 9.947 -0.252 1.00 0.00 C ATOM 559 CD GLN A 40 -3.633 11.409 -0.024 1.00 0.00 C ATOM 560 OE1 GLN A 40 -2.490 11.845 -0.478 1.00 0.00 O flip ATOM 561 NE2 GLN A 40 -4.375 12.161 0.575 1.00 0.00 N flip ATOM 0 H GLN A 40 -4.370 7.862 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.056 8.091 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.153 10.244 -2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.080 10.515 -0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.151 9.442 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.223 9.427 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.269 11.820 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.105 13.133 0.723 1.00 0.00 H new ATOM 570 N CYS A 41 -6.998 8.757 -3.214 1.00 0.00 N ATOM 571 CA CYS A 41 -8.200 8.687 -4.105 1.00 0.00 C ATOM 572 C CYS A 41 -8.297 7.296 -4.740 1.00 0.00 C ATOM 573 O CYS A 41 -9.284 6.960 -5.366 1.00 0.00 O ATOM 574 CB CYS A 41 -8.091 9.745 -5.208 1.00 0.00 C ATOM 575 SG CYS A 41 -6.798 9.280 -6.388 1.00 0.00 S ATOM 0 H CYS A 41 -6.162 9.154 -3.644 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.094 8.875 -3.510 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.046 9.844 -5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.863 10.717 -4.770 1.00 0.00 H new ATOM 580 N PHE A 42 -7.280 6.489 -4.580 1.00 0.00 N ATOM 581 CA PHE A 42 -7.293 5.114 -5.167 1.00 0.00 C ATOM 582 C PHE A 42 -7.551 5.187 -6.675 1.00 0.00 C ATOM 583 O PHE A 42 -7.965 4.224 -7.290 1.00 0.00 O ATOM 584 CB PHE A 42 -8.381 4.269 -4.496 1.00 0.00 C ATOM 585 CG PHE A 42 -7.805 3.579 -3.280 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.204 4.334 -2.264 1.00 0.00 C ATOM 587 CD2 PHE A 42 -7.871 2.185 -3.170 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.670 3.694 -1.140 1.00 0.00 C ATOM 589 CE2 PHE A 42 -7.336 1.546 -2.045 1.00 0.00 C ATOM 590 CZ PHE A 42 -6.736 2.300 -1.030 1.00 0.00 C ATOM 0 H PHE A 42 -6.433 6.725 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.322 4.650 -4.995 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.220 4.901 -4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.767 3.530 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.153 5.409 -2.348 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.334 1.603 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.207 4.276 -0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.386 0.470 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.324 1.807 -0.162 1.00 0.00 H new ATOM 600 N GLN A 43 -7.294 6.317 -7.276 1.00 0.00 N ATOM 601 CA GLN A 43 -7.508 6.444 -8.744 1.00 0.00 C ATOM 602 C GLN A 43 -6.299 5.840 -9.457 1.00 0.00 C ATOM 603 O GLN A 43 -5.170 6.212 -9.194 1.00 0.00 O ATOM 604 CB GLN A 43 -7.644 7.923 -9.119 1.00 0.00 C ATOM 605 CG GLN A 43 -8.021 8.048 -10.599 1.00 0.00 C ATOM 606 CD GLN A 43 -8.629 9.428 -10.858 1.00 0.00 C ATOM 607 OE1 GLN A 43 -7.987 10.292 -11.422 1.00 0.00 O ATOM 608 NE2 GLN A 43 -9.851 9.673 -10.469 1.00 0.00 N ATOM 0 H GLN A 43 -6.945 7.157 -6.813 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.418 5.922 -9.039 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.405 8.397 -8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.706 8.444 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.139 7.905 -11.223 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.733 7.269 -10.871 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.390 8.948 -9.996 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.266 10.589 -10.639 1.00 0.00 H new ATOM 617 N GLN A 44 -6.521 4.903 -10.345 1.00 0.00 N ATOM 618 CA GLN A 44 -5.380 4.270 -11.060 1.00 0.00 C ATOM 619 C GLN A 44 -4.817 5.242 -12.095 1.00 0.00 C ATOM 620 O GLN A 44 -5.389 6.280 -12.363 1.00 0.00 O ATOM 621 CB GLN A 44 -5.845 2.992 -11.762 1.00 0.00 C ATOM 622 CG GLN A 44 -7.268 3.171 -12.302 1.00 0.00 C ATOM 623 CD GLN A 44 -7.497 2.207 -13.468 1.00 0.00 C ATOM 624 OE1 GLN A 44 -8.028 2.588 -14.491 1.00 0.00 O ATOM 625 NE2 GLN A 44 -7.115 0.964 -13.357 1.00 0.00 N ATOM 0 H GLN A 44 -7.443 4.552 -10.603 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.605 4.020 -10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.166 2.750 -12.580 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.816 2.155 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.995 2.982 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.416 4.199 -12.632 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.669 0.642 -12.498 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.263 0.314 -14.129 1.00 0.00 H new ATOM 634 N PHE A 45 -3.697 4.910 -12.673 1.00 0.00 N ATOM 635 CA PHE A 45 -3.086 5.809 -13.691 1.00 0.00 C ATOM 636 C PHE A 45 -2.237 4.982 -14.668 1.00 0.00 C ATOM 637 O PHE A 45 -1.281 4.349 -14.263 1.00 0.00 O ATOM 638 CB PHE A 45 -2.198 6.841 -12.985 1.00 0.00 C ATOM 639 CG PHE A 45 -2.496 8.220 -13.526 1.00 0.00 C ATOM 640 CD1 PHE A 45 -2.172 8.535 -14.851 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.095 9.182 -12.704 1.00 0.00 C ATOM 642 CE1 PHE A 45 -2.448 9.812 -15.354 1.00 0.00 C ATOM 643 CE2 PHE A 45 -3.372 10.458 -13.208 1.00 0.00 C ATOM 644 CZ PHE A 45 -3.047 10.774 -14.533 1.00 0.00 C ATOM 0 H PHE A 45 -3.177 4.053 -12.484 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.873 6.321 -14.245 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.376 6.815 -11.910 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.147 6.598 -13.140 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.709 7.793 -15.485 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.343 8.940 -11.681 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.198 10.055 -16.376 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.837 11.199 -12.575 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.258 11.759 -14.921 1.00 0.00 H new ATOM 654 N PRO A 46 -2.604 5.018 -15.932 1.00 0.00 N ATOM 655 CA PRO A 46 -1.875 4.281 -16.983 1.00 0.00 C ATOM 656 C PRO A 46 -0.443 4.814 -17.107 1.00 0.00 C ATOM 657 O PRO A 46 0.347 4.317 -17.886 1.00 0.00 O ATOM 658 CB PRO A 46 -2.662 4.546 -18.271 1.00 0.00 C ATOM 659 CG PRO A 46 -3.833 5.500 -17.921 1.00 0.00 C ATOM 660 CD PRO A 46 -3.771 5.784 -16.412 1.00 0.00 C ATOM 0 HA PRO A 46 -1.798 3.216 -16.764 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.017 4.993 -19.028 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.041 3.612 -18.687 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.753 6.427 -18.488 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.788 5.046 -18.186 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.653 6.849 -16.214 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.686 5.466 -15.912 1.00 0.00 H new ATOM 668 N GLU A 47 -0.109 5.820 -16.338 1.00 0.00 N ATOM 669 CA GLU A 47 1.267 6.395 -16.394 1.00 0.00 C ATOM 670 C GLU A 47 2.295 5.279 -16.198 1.00 0.00 C ATOM 671 O GLU A 47 3.407 5.353 -16.683 1.00 0.00 O ATOM 672 CB GLU A 47 1.428 7.428 -15.273 1.00 0.00 C ATOM 673 CG GLU A 47 1.227 8.841 -15.831 1.00 0.00 C ATOM 674 CD GLU A 47 1.318 9.857 -14.688 1.00 0.00 C ATOM 675 OE1 GLU A 47 2.386 9.975 -14.109 1.00 0.00 O ATOM 676 OE2 GLU A 47 0.319 10.501 -14.410 1.00 0.00 O ATOM 0 H GLU A 47 -0.736 6.269 -15.670 1.00 0.00 H new ATOM 0 HA GLU A 47 1.424 6.871 -17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.704 7.234 -14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.419 7.342 -14.827 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.984 9.057 -16.585 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.257 8.915 -16.322 1.00 0.00 H new ATOM 683 N GLY A 48 1.931 4.247 -15.480 1.00 0.00 N ATOM 684 CA GLY A 48 2.882 3.124 -15.239 1.00 0.00 C ATOM 685 C GLY A 48 3.941 3.564 -14.225 1.00 0.00 C ATOM 686 O GLY A 48 4.769 2.782 -13.804 1.00 0.00 O ATOM 0 H GLY A 48 1.013 4.135 -15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.345 2.252 -14.866 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.358 2.829 -16.174 1.00 0.00 H new ATOM 690 N LEU A 49 3.915 4.814 -13.833 1.00 0.00 N ATOM 691 CA LEU A 49 4.913 5.320 -12.847 1.00 0.00 C ATOM 692 C LEU A 49 4.600 6.782 -12.510 1.00 0.00 C ATOM 693 O LEU A 49 5.033 7.691 -13.194 1.00 0.00 O ATOM 694 CB LEU A 49 6.325 5.227 -13.444 1.00 0.00 C ATOM 695 CG LEU A 49 7.369 5.247 -12.319 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.643 4.544 -12.792 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.698 6.697 -11.945 1.00 0.00 C ATOM 0 H LEU A 49 3.241 5.507 -14.157 1.00 0.00 H new ATOM 0 HA LEU A 49 4.863 4.715 -11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.423 4.311 -14.027 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.497 6.060 -14.126 1.00 0.00 H new ATOM 0 HG LEU A 49 6.968 4.730 -11.447 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.384 4.558 -11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.413 3.512 -13.055 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.041 5.061 -13.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.439 6.707 -11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.096 7.216 -12.817 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.792 7.200 -11.606 1.00 0.00 H new ATOM 709 N PHE A 50 3.864 7.020 -11.452 1.00 0.00 N ATOM 710 CA PHE A 50 3.543 8.425 -11.067 1.00 0.00 C ATOM 711 C PHE A 50 4.308 8.772 -9.783 1.00 0.00 C ATOM 712 O PHE A 50 5.515 8.642 -9.726 1.00 0.00 O ATOM 713 CB PHE A 50 2.023 8.592 -10.869 1.00 0.00 C ATOM 714 CG PHE A 50 1.436 7.545 -9.926 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.244 6.811 -9.040 1.00 0.00 C ATOM 716 CD2 PHE A 50 0.051 7.333 -9.932 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.664 5.877 -8.172 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.523 6.397 -9.066 1.00 0.00 C ATOM 719 CZ PHE A 50 0.283 5.670 -8.186 1.00 0.00 C ATOM 0 H PHE A 50 3.474 6.302 -10.841 1.00 0.00 H new ATOM 0 HA PHE A 50 3.848 9.107 -11.861 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.819 9.587 -10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.525 8.525 -11.836 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.313 6.967 -9.029 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.576 7.895 -10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.286 5.316 -7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.591 6.236 -9.077 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.162 4.948 -7.517 1.00 0.00 H new ATOM 729 N TYR A 51 3.627 9.191 -8.747 1.00 0.00 N ATOM 730 CA TYR A 51 4.335 9.514 -7.477 1.00 0.00 C ATOM 731 C TYR A 51 4.259 8.295 -6.547 1.00 0.00 C ATOM 732 O TYR A 51 3.818 8.378 -5.416 1.00 0.00 O ATOM 733 CB TYR A 51 3.687 10.736 -6.816 1.00 0.00 C ATOM 734 CG TYR A 51 4.644 11.901 -6.888 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.752 11.949 -6.033 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.427 12.931 -7.810 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.640 13.027 -6.097 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.317 14.011 -7.876 1.00 0.00 C ATOM 739 CZ TYR A 51 6.423 14.059 -7.019 1.00 0.00 C ATOM 740 OH TYR A 51 7.300 15.123 -7.083 1.00 0.00 O ATOM 0 H TYR A 51 2.616 9.322 -8.728 1.00 0.00 H new ATOM 0 HA TYR A 51 5.380 9.750 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.753 10.985 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.440 10.515 -5.777 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.921 11.152 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.573 12.893 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.493 13.064 -5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.150 14.806 -8.588 1.00 0.00 H new ATOM 0 HH TYR A 51 7.004 15.749 -7.776 1.00 0.00 H new ATOM 750 N GLU A 52 4.688 7.159 -7.033 1.00 0.00 N ATOM 751 CA GLU A 52 4.649 5.915 -6.207 1.00 0.00 C ATOM 752 C GLU A 52 5.789 5.934 -5.183 1.00 0.00 C ATOM 753 O GLU A 52 6.834 6.513 -5.413 1.00 0.00 O ATOM 754 CB GLU A 52 4.787 4.686 -7.123 1.00 0.00 C ATOM 755 CG GLU A 52 6.193 4.629 -7.736 1.00 0.00 C ATOM 756 CD GLU A 52 6.363 5.763 -8.750 1.00 0.00 C ATOM 757 OE1 GLU A 52 5.596 5.802 -9.696 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.256 6.572 -8.560 1.00 0.00 O ATOM 0 H GLU A 52 5.066 7.039 -7.973 1.00 0.00 H new ATOM 0 HA GLU A 52 3.698 5.863 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.595 3.777 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.040 4.730 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.945 4.714 -6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.348 3.667 -8.224 1.00 0.00 H new ATOM 765 N PHE A 53 5.591 5.306 -4.051 1.00 0.00 N ATOM 766 CA PHE A 53 6.656 5.283 -3.003 1.00 0.00 C ATOM 767 C PHE A 53 6.617 3.941 -2.263 1.00 0.00 C ATOM 768 O PHE A 53 5.749 3.121 -2.489 1.00 0.00 O ATOM 769 CB PHE A 53 6.415 6.427 -2.009 1.00 0.00 C ATOM 770 CG PHE A 53 7.382 7.555 -2.287 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.036 8.571 -3.186 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.625 7.585 -1.643 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.933 9.616 -3.442 1.00 0.00 C ATOM 774 CE2 PHE A 53 9.520 8.630 -1.899 1.00 0.00 C ATOM 775 CZ PHE A 53 9.174 9.645 -2.797 1.00 0.00 C ATOM 0 H PHE A 53 4.735 4.807 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 53 7.632 5.408 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.389 6.785 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.544 6.068 -0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.077 8.549 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.893 6.802 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.667 10.399 -4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.479 8.653 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.865 10.451 -2.993 1.00 0.00 H new ATOM 785 N GLU A 54 7.556 3.712 -1.380 1.00 0.00 N ATOM 786 CA GLU A 54 7.583 2.425 -0.622 1.00 0.00 C ATOM 787 C GLU A 54 6.423 2.393 0.375 1.00 0.00 C ATOM 788 O GLU A 54 6.305 3.249 1.230 1.00 0.00 O ATOM 789 CB GLU A 54 8.911 2.292 0.129 1.00 0.00 C ATOM 790 CG GLU A 54 9.291 3.634 0.762 1.00 0.00 C ATOM 791 CD GLU A 54 10.449 4.264 -0.019 1.00 0.00 C ATOM 792 OE1 GLU A 54 10.209 4.734 -1.119 1.00 0.00 O ATOM 793 OE2 GLU A 54 11.555 4.264 0.496 1.00 0.00 O ATOM 0 H GLU A 54 8.307 4.363 -1.151 1.00 0.00 H new ATOM 0 HA GLU A 54 7.483 1.595 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.827 1.527 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.695 1.969 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.431 4.304 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.579 3.487 1.803 1.00 0.00 H new ATOM 800 N GLY A 55 5.564 1.415 0.266 1.00 0.00 N ATOM 801 CA GLY A 55 4.406 1.325 1.203 1.00 0.00 C ATOM 802 C GLY A 55 3.443 2.486 0.938 1.00 0.00 C ATOM 803 O GLY A 55 2.461 2.658 1.634 1.00 0.00 O ATOM 0 H GLY A 55 5.614 0.673 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.891 0.374 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.756 1.357 2.235 1.00 0.00 H new ATOM 807 N ARG A 56 3.722 3.280 -0.063 1.00 0.00 N ATOM 808 CA ARG A 56 2.832 4.433 -0.384 1.00 0.00 C ATOM 809 C ARG A 56 2.590 4.481 -1.894 1.00 0.00 C ATOM 810 O ARG A 56 3.153 3.711 -2.648 1.00 0.00 O ATOM 811 CB ARG A 56 3.498 5.737 0.062 1.00 0.00 C ATOM 812 CG ARG A 56 3.761 5.699 1.570 1.00 0.00 C ATOM 813 CD ARG A 56 4.213 7.083 2.044 1.00 0.00 C ATOM 814 NE ARG A 56 5.352 7.553 1.201 1.00 0.00 N ATOM 815 CZ ARG A 56 5.699 8.813 1.201 1.00 0.00 C ATOM 816 NH1 ARG A 56 5.050 9.674 1.937 1.00 0.00 N ATOM 817 NH2 ARG A 56 6.696 9.213 0.464 1.00 0.00 N ATOM 0 H ARG A 56 4.532 3.178 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 56 1.883 4.313 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.435 5.879 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.858 6.585 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.857 5.398 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.526 4.957 1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.385 7.789 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.515 7.040 3.090 1.00 0.00 H new ATOM 0 HE ARG A 56 5.862 6.887 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.269 9.364 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.324 10.656 1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.205 8.543 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.967 10.196 0.463 1.00 0.00 H new ATOM 831 N LYS A 57 1.753 5.380 -2.338 1.00 0.00 N ATOM 832 CA LYS A 57 1.462 5.483 -3.796 1.00 0.00 C ATOM 833 C LYS A 57 0.562 6.694 -4.042 1.00 0.00 C ATOM 834 O LYS A 57 -0.476 6.834 -3.427 1.00 0.00 O ATOM 835 CB LYS A 57 0.743 4.215 -4.265 1.00 0.00 C ATOM 836 CG LYS A 57 -0.438 3.925 -3.333 1.00 0.00 C ATOM 837 CD LYS A 57 -0.778 2.436 -3.377 1.00 0.00 C ATOM 838 CE LYS A 57 -1.865 2.188 -4.424 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.783 1.119 -3.941 1.00 0.00 N ATOM 0 H LYS A 57 1.257 6.050 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 57 2.395 5.597 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.390 4.341 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.434 3.372 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.190 4.221 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.304 4.514 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.113 1.856 -3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.120 2.102 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.423 3.106 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.413 1.894 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.765 1.375 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.542 0.219 -4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.684 1.016 -2.911 1.00 0.00 H new ATOM 853 N TYR A 58 0.947 7.571 -4.929 1.00 0.00 N ATOM 854 CA TYR A 58 0.102 8.771 -5.197 1.00 0.00 C ATOM 855 C TYR A 58 0.203 9.167 -6.662 1.00 0.00 C ATOM 856 O TYR A 58 1.253 9.086 -7.269 1.00 0.00 O ATOM 857 CB TYR A 58 0.588 9.951 -4.355 1.00 0.00 C ATOM 858 CG TYR A 58 0.781 9.521 -2.925 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.328 9.320 -2.095 1.00 0.00 C ATOM 860 CD2 TYR A 58 2.075 9.341 -2.423 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.140 8.933 -0.763 1.00 0.00 C ATOM 862 CE2 TYR A 58 2.264 8.959 -1.095 1.00 0.00 C ATOM 863 CZ TYR A 58 1.156 8.754 -0.262 1.00 0.00 C ATOM 864 OH TYR A 58 1.340 8.378 1.052 1.00 0.00 O ATOM 0 H TYR A 58 1.805 7.510 -5.477 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.929 8.524 -4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.526 10.333 -4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.135 10.765 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.326 9.463 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.929 9.498 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.994 8.772 -0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.263 8.821 -0.709 1.00 0.00 H new ATOM 0 HH TYR A 58 0.578 7.838 1.347 1.00 0.00 H new ATOM 874 N CYS A 59 -0.874 9.636 -7.219 1.00 0.00 N ATOM 875 CA CYS A 59 -0.846 10.092 -8.629 1.00 0.00 C ATOM 876 C CYS A 59 -0.545 11.586 -8.618 1.00 0.00 C ATOM 877 O CYS A 59 -0.397 12.183 -7.566 1.00 0.00 O ATOM 878 CB CYS A 59 -2.207 9.842 -9.286 1.00 0.00 C ATOM 879 SG CYS A 59 -3.534 10.246 -8.119 1.00 0.00 S ATOM 0 H CYS A 59 -1.778 9.723 -6.754 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.089 9.549 -9.194 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.304 10.449 -10.186 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.286 8.800 -9.595 1.00 0.00 H new ATOM 884 N GLU A 60 -0.462 12.207 -9.757 1.00 0.00 N ATOM 885 CA GLU A 60 -0.184 13.669 -9.775 1.00 0.00 C ATOM 886 C GLU A 60 -1.416 14.414 -9.245 1.00 0.00 C ATOM 887 O GLU A 60 -1.537 15.607 -9.397 1.00 0.00 O ATOM 888 CB GLU A 60 0.117 14.116 -11.210 1.00 0.00 C ATOM 889 CG GLU A 60 0.989 15.377 -11.187 1.00 0.00 C ATOM 890 CD GLU A 60 2.465 14.987 -11.310 1.00 0.00 C ATOM 891 OE1 GLU A 60 3.003 14.472 -10.344 1.00 0.00 O ATOM 892 OE2 GLU A 60 3.031 15.211 -12.367 1.00 0.00 O ATOM 0 H GLU A 60 -0.574 11.771 -10.672 1.00 0.00 H new ATOM 0 HA GLU A 60 0.678 13.892 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.628 13.319 -11.750 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.813 14.315 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.709 16.040 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.824 15.928 -10.261 1.00 0.00 H new ATOM 899 N HIS A 61 -2.335 13.712 -8.628 1.00 0.00 N ATOM 900 CA HIS A 61 -3.561 14.376 -8.097 1.00 0.00 C ATOM 901 C HIS A 61 -3.295 14.913 -6.684 1.00 0.00 C ATOM 902 O HIS A 61 -3.194 16.107 -6.477 1.00 0.00 O ATOM 903 CB HIS A 61 -4.722 13.357 -8.092 1.00 0.00 C ATOM 904 CG HIS A 61 -5.479 13.409 -6.787 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.581 12.313 -5.934 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.166 14.427 -6.172 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.303 12.703 -4.868 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.684 13.979 -4.962 1.00 0.00 N ATOM 0 H HIS A 61 -2.287 12.705 -8.470 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.833 15.219 -8.732 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.400 13.568 -8.919 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.330 12.352 -8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.286 15.424 -6.568 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.546 12.060 -4.035 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.237 14.511 -4.290 1.00 0.00 H new ATOM 916 N ASP A 62 -3.190 14.053 -5.709 1.00 0.00 N ATOM 917 CA ASP A 62 -2.940 14.535 -4.323 1.00 0.00 C ATOM 918 C ASP A 62 -1.591 15.242 -4.279 1.00 0.00 C ATOM 919 O ASP A 62 -1.371 16.145 -3.493 1.00 0.00 O ATOM 920 CB ASP A 62 -2.911 13.345 -3.359 1.00 0.00 C ATOM 921 CG ASP A 62 -4.041 13.485 -2.337 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.982 14.406 -1.540 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.944 12.668 -2.364 1.00 0.00 O ATOM 0 H ASP A 62 -3.266 13.041 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.734 15.221 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.021 12.413 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.949 13.301 -2.849 1.00 0.00 H new ATOM 928 N PHE A 63 -0.684 14.818 -5.111 1.00 0.00 N ATOM 929 CA PHE A 63 0.667 15.421 -5.123 1.00 0.00 C ATOM 930 C PHE A 63 0.672 16.771 -5.847 1.00 0.00 C ATOM 931 O PHE A 63 1.346 17.688 -5.415 1.00 0.00 O ATOM 932 CB PHE A 63 1.624 14.425 -5.758 1.00 0.00 C ATOM 933 CG PHE A 63 2.257 13.646 -4.636 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.446 12.962 -3.722 1.00 0.00 C ATOM 935 CD2 PHE A 63 3.639 13.624 -4.491 1.00 0.00 C ATOM 936 CE1 PHE A 63 2.025 12.255 -2.665 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.219 12.912 -3.437 1.00 0.00 C ATOM 938 CZ PHE A 63 3.413 12.227 -2.524 1.00 0.00 C ATOM 0 H PHE A 63 -0.827 14.070 -5.790 1.00 0.00 H new ATOM 0 HA PHE A 63 0.991 15.631 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.092 13.759 -6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.383 14.941 -6.346 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.372 12.981 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.264 14.157 -5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.399 11.731 -1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.293 12.891 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.863 11.677 -1.711 1.00 0.00 H new ATOM 948 N GLN A 64 -0.077 16.942 -6.911 1.00 0.00 N ATOM 949 CA GLN A 64 -0.072 18.287 -7.566 1.00 0.00 C ATOM 950 C GLN A 64 -0.776 19.266 -6.628 1.00 0.00 C ATOM 951 O GLN A 64 -0.545 20.459 -6.664 1.00 0.00 O ATOM 952 CB GLN A 64 -0.790 18.255 -8.920 1.00 0.00 C ATOM 953 CG GLN A 64 -2.304 18.131 -8.716 1.00 0.00 C ATOM 954 CD GLN A 64 -3.006 18.079 -10.075 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.792 17.189 -10.333 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.754 19.002 -10.962 1.00 0.00 N ATOM 0 H GLN A 64 -0.672 16.235 -7.342 1.00 0.00 H new ATOM 0 HA GLN A 64 0.957 18.595 -7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.565 19.162 -9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.426 17.416 -9.513 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.531 17.231 -8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.673 18.978 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.094 19.750 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.217 18.976 -11.871 1.00 0.00 H new ATOM 965 N MET A 65 -1.616 18.751 -5.768 1.00 0.00 N ATOM 966 CA MET A 65 -2.328 19.619 -4.793 1.00 0.00 C ATOM 967 C MET A 65 -1.285 20.182 -3.834 1.00 0.00 C ATOM 968 O MET A 65 -1.293 21.352 -3.505 1.00 0.00 O ATOM 969 CB MET A 65 -3.358 18.791 -4.016 1.00 0.00 C ATOM 970 CG MET A 65 -4.761 19.072 -4.560 1.00 0.00 C ATOM 971 SD MET A 65 -4.853 18.557 -6.294 1.00 0.00 S ATOM 972 CE MET A 65 -6.636 18.258 -6.352 1.00 0.00 C ATOM 0 H MET A 65 -1.839 17.758 -5.702 1.00 0.00 H new ATOM 0 HA MET A 65 -2.853 20.425 -5.306 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.128 17.729 -4.106 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.312 19.038 -2.955 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.505 18.536 -3.971 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.990 20.134 -4.473 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.917 17.925 -7.351 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.900 17.489 -5.626 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.167 19.179 -6.114 1.00 0.00 H new ATOM 982 N LEU A 66 -0.360 19.354 -3.413 1.00 0.00 N ATOM 983 CA LEU A 66 0.717 19.843 -2.506 1.00 0.00 C ATOM 984 C LEU A 66 1.554 20.843 -3.299 1.00 0.00 C ATOM 985 O LEU A 66 2.182 21.729 -2.753 1.00 0.00 O ATOM 986 CB LEU A 66 1.620 18.679 -2.068 1.00 0.00 C ATOM 987 CG LEU A 66 0.787 17.413 -1.853 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.679 16.302 -1.293 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.353 17.697 -0.867 1.00 0.00 C ATOM 0 H LEU A 66 -0.307 18.365 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 66 0.281 20.297 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.383 18.497 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.141 18.941 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 66 0.365 17.098 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.085 15.401 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.483 16.091 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.105 16.622 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.941 16.791 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.063 18.019 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.993 18.483 -1.267 1.00 0.00 H new ATOM 1001 N PHE A 67 1.548 20.688 -4.600 1.00 0.00 N ATOM 1002 CA PHE A 67 2.318 21.597 -5.492 1.00 0.00 C ATOM 1003 C PHE A 67 3.815 21.477 -5.184 1.00 0.00 C ATOM 1004 O PHE A 67 4.363 22.231 -4.403 1.00 0.00 O ATOM 1005 CB PHE A 67 1.852 23.044 -5.287 1.00 0.00 C ATOM 1006 CG PHE A 67 2.059 23.827 -6.565 1.00 0.00 C ATOM 1007 CD1 PHE A 67 3.352 24.186 -6.964 1.00 0.00 C ATOM 1008 CD2 PHE A 67 0.957 24.191 -7.349 1.00 0.00 C ATOM 1009 CE1 PHE A 67 3.543 24.911 -8.147 1.00 0.00 C ATOM 1010 CE2 PHE A 67 1.149 24.915 -8.532 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.443 25.274 -8.931 1.00 0.00 C ATOM 0 H PHE A 67 1.031 19.955 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 67 2.145 21.314 -6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.800 23.062 -5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.409 23.505 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.202 23.904 -6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.040 23.913 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.540 25.190 -8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.300 25.197 -9.137 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.591 25.831 -9.844 1.00 0.00 H new ATOM 1021 N ALA A 68 4.478 20.530 -5.796 1.00 0.00 N ATOM 1022 CA ALA A 68 5.939 20.355 -5.545 1.00 0.00 C ATOM 1023 C ALA A 68 6.699 21.578 -6.079 1.00 0.00 C ATOM 1024 O ALA A 68 6.590 21.904 -7.246 1.00 0.00 O ATOM 1025 CB ALA A 68 6.428 19.096 -6.266 1.00 0.00 C ATOM 0 H ALA A 68 4.070 19.870 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 68 6.117 20.256 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.495 18.964 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.886 18.228 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.251 19.198 -7.337 1.00 0.00 H new ATOM 1031 N PRO A 69 7.446 22.224 -5.210 1.00 0.00 N ATOM 1032 CA PRO A 69 8.232 23.417 -5.586 1.00 0.00 C ATOM 1033 C PRO A 69 9.282 23.053 -6.640 1.00 0.00 C ATOM 1034 O PRO A 69 9.891 23.914 -7.246 1.00 0.00 O ATOM 1035 CB PRO A 69 8.906 23.871 -4.284 1.00 0.00 C ATOM 1036 CG PRO A 69 8.507 22.869 -3.171 1.00 0.00 C ATOM 1037 CD PRO A 69 7.568 21.824 -3.796 1.00 0.00 C ATOM 0 HA PRO A 69 7.612 24.201 -6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.989 23.898 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.589 24.880 -4.021 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.392 22.387 -2.755 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.010 23.387 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.978 20.818 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.597 21.819 -3.301 1.00 0.00 H new ATOM 1045 N CYS A 70 9.495 21.784 -6.861 1.00 0.00 N ATOM 1046 CA CYS A 70 10.501 21.350 -7.872 1.00 0.00 C ATOM 1047 C CYS A 70 10.203 19.910 -8.304 1.00 0.00 C ATOM 1048 O CYS A 70 9.730 19.148 -7.476 1.00 0.00 O ATOM 1049 CB CYS A 70 11.904 21.420 -7.260 1.00 0.00 C ATOM 1050 SG CYS A 70 11.880 20.693 -5.603 1.00 0.00 S ATOM 0 H CYS A 70 9.012 21.024 -6.381 1.00 0.00 H new ATOM 0 HA CYS A 70 10.450 22.007 -8.740 1.00 0.00 H new ATOM 0 HB2 CYS A 70 12.614 20.887 -7.892 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.238 22.456 -7.209 1.00 0.00 H new ATOM 0 HG CYS A 70 10.992 19.745 -5.558 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.629 -4.821 -10.993 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.837 10.474 -6.236 1.00 0.00 ZN