USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 HIS : no HD1:sc= -0.707 K(o=-1.3,f=-2.2!) USER MOD Set 1.2: A 30 SER OG : rot 170:sc= -0.563 USER MOD Set 2.1: A 4 LYS NZ :NH3+ 163:sc= -0.0355 (180deg=-0.376) USER MOD Set 2.2: A 46 MET CE :methyl -147:sc= 0 (180deg=-1.63!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -21:sc= 0.66 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0571 (180deg=-0.441) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0178 K(o=-0.018,f=-1.6!) USER MOD Single : A 24 SER OG : rot -55:sc= 0.242 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0832) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -1.11 (180deg=-1.59) USER MOD Single : A 45 SER OG : rot -160:sc= -0.33 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 52 THR OG1 : rot -64:sc= 0.671 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 10.739 0.467 -0.344 1.00 0.00 N ATOM 21 CA LYS A 2 10.019 1.771 -0.464 1.00 0.00 C ATOM 22 C LYS A 2 9.641 2.009 -1.925 1.00 0.00 C ATOM 23 O LYS A 2 10.409 1.748 -2.831 1.00 0.00 O ATOM 24 CB LYS A 2 10.932 2.901 0.024 1.00 0.00 C ATOM 25 CG LYS A 2 10.088 4.137 0.350 1.00 0.00 C ATOM 26 CD LYS A 2 10.977 5.215 0.964 1.00 0.00 C ATOM 27 CE LYS A 2 10.120 6.429 1.322 1.00 0.00 C ATOM 28 NZ LYS A 2 10.980 7.479 1.933 1.00 0.00 N ATOM 0 HA LYS A 2 9.114 1.749 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.483 2.581 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.669 3.143 -0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.613 4.515 -0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.289 3.872 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.474 4.830 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.760 5.502 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.631 6.818 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.332 6.139 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.398 8.306 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.427 7.104 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.717 7.762 1.256 1.00 0.00 H new ATOM 42 N GLY A 3 8.457 2.500 -2.167 1.00 0.00 N ATOM 43 CA GLY A 3 8.032 2.747 -3.574 1.00 0.00 C ATOM 44 C GLY A 3 6.930 3.808 -3.606 1.00 0.00 C ATOM 45 O GLY A 3 6.835 4.651 -2.735 1.00 0.00 O ATOM 0 H GLY A 3 7.768 2.740 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.884 3.077 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.671 1.821 -4.022 1.00 0.00 H new ATOM 49 N LYS A 4 6.100 3.771 -4.616 1.00 0.00 N ATOM 50 CA LYS A 4 4.994 4.770 -4.739 1.00 0.00 C ATOM 51 C LYS A 4 3.691 4.044 -5.066 1.00 0.00 C ATOM 52 O LYS A 4 3.661 3.113 -5.849 1.00 0.00 O ATOM 53 CB LYS A 4 5.333 5.749 -5.862 1.00 0.00 C ATOM 54 CG LYS A 4 6.502 6.631 -5.424 1.00 0.00 C ATOM 55 CD LYS A 4 6.865 7.603 -6.548 1.00 0.00 C ATOM 56 CE LYS A 4 7.970 8.549 -6.070 1.00 0.00 C ATOM 57 NZ LYS A 4 9.199 7.765 -5.761 1.00 0.00 N ATOM 0 H LYS A 4 6.141 3.084 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 4 4.877 5.314 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.593 5.204 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.465 6.365 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.235 7.185 -4.524 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.363 6.012 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.199 7.051 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.986 8.175 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.184 9.292 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.640 9.092 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.017 8.405 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.085 7.287 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.354 7.055 -6.505 1.00 0.00 H new ATOM 71 N VAL A 5 2.610 4.462 -4.470 1.00 0.00 N ATOM 72 CA VAL A 5 1.304 3.797 -4.736 1.00 0.00 C ATOM 73 C VAL A 5 0.685 4.360 -6.017 1.00 0.00 C ATOM 74 O VAL A 5 0.437 5.545 -6.137 1.00 0.00 O ATOM 75 CB VAL A 5 0.370 4.045 -3.550 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.029 5.539 -3.446 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.915 3.235 -3.731 1.00 0.00 C ATOM 0 H VAL A 5 2.574 5.237 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 5 1.456 2.725 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 5 0.871 3.733 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.636 5.702 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.945 6.112 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.464 5.864 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.579 3.413 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.411 3.540 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.672 2.174 -3.784 1.00 0.00 H new ATOM 87 N VAL A 6 0.433 3.513 -6.979 1.00 0.00 N ATOM 88 CA VAL A 6 -0.175 3.981 -8.259 1.00 0.00 C ATOM 89 C VAL A 6 -1.698 3.885 -8.156 1.00 0.00 C ATOM 90 O VAL A 6 -2.422 4.685 -8.718 1.00 0.00 O ATOM 91 CB VAL A 6 0.331 3.099 -9.407 1.00 0.00 C ATOM 92 CG1 VAL A 6 -0.105 1.645 -9.192 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.238 3.607 -10.731 1.00 0.00 C ATOM 0 H VAL A 6 0.623 2.512 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 6 0.106 5.016 -8.451 1.00 0.00 H new ATOM 0 HB VAL A 6 1.420 3.144 -9.432 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.261 1.030 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.307 1.277 -8.252 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.193 1.593 -9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.122 2.980 -11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.327 3.569 -10.698 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.084 4.635 -10.895 1.00 0.00 H new ATOM 103 N SER A 7 -2.198 2.918 -7.438 1.00 0.00 N ATOM 104 CA SER A 7 -3.680 2.790 -7.307 1.00 0.00 C ATOM 105 C SER A 7 -4.041 2.072 -6.008 1.00 0.00 C ATOM 106 O SER A 7 -3.359 1.167 -5.568 1.00 0.00 O ATOM 107 CB SER A 7 -4.237 2.000 -8.489 1.00 0.00 C ATOM 108 OG SER A 7 -5.637 1.818 -8.309 1.00 0.00 O ATOM 0 H SER A 7 -1.652 2.215 -6.939 1.00 0.00 H new ATOM 0 HA SER A 7 -4.114 3.790 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.044 2.531 -9.421 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.739 1.033 -8.564 1.00 0.00 H new ATOM 0 HG SER A 7 -6.001 1.313 -9.066 1.00 0.00 H new ATOM 114 N TYR A 8 -5.125 2.460 -5.399 1.00 0.00 N ATOM 115 CA TYR A 8 -5.556 1.798 -4.138 1.00 0.00 C ATOM 116 C TYR A 8 -7.051 2.048 -3.935 1.00 0.00 C ATOM 117 O TYR A 8 -7.457 3.076 -3.426 1.00 0.00 O ATOM 118 CB TYR A 8 -4.768 2.363 -2.950 1.00 0.00 C ATOM 119 CG TYR A 8 -5.357 1.831 -1.660 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.360 0.452 -1.414 1.00 0.00 C ATOM 121 CD2 TYR A 8 -5.907 2.710 -0.716 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.913 -0.047 -0.231 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.459 2.208 0.470 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.461 0.830 0.711 1.00 0.00 C ATOM 125 OH TYR A 8 -7.001 0.336 1.879 1.00 0.00 O ATOM 0 H TYR A 8 -5.734 3.211 -5.722 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.365 0.727 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.718 2.080 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.806 3.452 -2.959 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.935 -0.226 -2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.905 3.774 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.917 -1.111 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.883 2.884 1.198 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.230 -0.609 1.759 1.00 0.00 H new ATOM 135 N LEU A 9 -7.879 1.115 -4.330 1.00 0.00 N ATOM 136 CA LEU A 9 -9.354 1.294 -4.165 1.00 0.00 C ATOM 137 C LEU A 9 -9.826 0.510 -2.942 1.00 0.00 C ATOM 138 O LEU A 9 -9.613 -0.680 -2.823 1.00 0.00 O ATOM 139 CB LEU A 9 -10.070 0.779 -5.425 1.00 0.00 C ATOM 140 CG LEU A 9 -10.051 1.859 -6.526 1.00 0.00 C ATOM 141 CD1 LEU A 9 -10.960 3.049 -6.147 1.00 0.00 C ATOM 142 CD2 LEU A 9 -8.611 2.347 -6.738 1.00 0.00 C ATOM 0 H LEU A 9 -7.597 0.235 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.585 2.350 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.582 -0.127 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.099 0.512 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.430 1.422 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.929 3.797 -6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.984 2.698 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.609 3.493 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.596 3.110 -7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.229 2.769 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.984 1.509 -7.040 1.00 0.00 H new ATOM 154 N ALA A 10 -10.470 1.183 -2.032 1.00 0.00 N ATOM 155 CA ALA A 10 -10.980 0.507 -0.806 1.00 0.00 C ATOM 156 C ALA A 10 -12.083 -0.479 -1.195 1.00 0.00 C ATOM 157 O ALA A 10 -12.228 -1.537 -0.614 1.00 0.00 O ATOM 158 CB ALA A 10 -11.547 1.563 0.140 1.00 0.00 C ATOM 0 H ALA A 10 -10.667 2.182 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.172 -0.033 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.923 1.079 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.762 2.270 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.361 2.094 -0.354 1.00 0.00 H new ATOM 164 N ALA A 11 -12.869 -0.130 -2.173 1.00 0.00 N ATOM 165 CA ALA A 11 -13.972 -1.033 -2.611 1.00 0.00 C ATOM 166 C ALA A 11 -13.384 -2.357 -3.099 1.00 0.00 C ATOM 167 O ALA A 11 -13.997 -3.402 -3.000 1.00 0.00 O ATOM 168 CB ALA A 11 -14.734 -0.367 -3.756 1.00 0.00 C ATOM 0 H ALA A 11 -12.796 0.745 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.646 -1.222 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.543 -1.020 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.149 0.581 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.054 -0.186 -4.589 1.00 0.00 H new ATOM 174 N LYS A 12 -12.194 -2.323 -3.628 1.00 0.00 N ATOM 175 CA LYS A 12 -11.557 -3.577 -4.125 1.00 0.00 C ATOM 176 C LYS A 12 -10.673 -4.155 -3.021 1.00 0.00 C ATOM 177 O LYS A 12 -10.139 -5.237 -3.144 1.00 0.00 O ATOM 178 CB LYS A 12 -10.697 -3.246 -5.350 1.00 0.00 C ATOM 179 CG LYS A 12 -11.604 -2.830 -6.512 1.00 0.00 C ATOM 180 CD LYS A 12 -10.752 -2.491 -7.739 1.00 0.00 C ATOM 181 CE LYS A 12 -11.664 -2.161 -8.925 1.00 0.00 C ATOM 182 NZ LYS A 12 -12.195 -0.776 -8.776 1.00 0.00 N ATOM 0 H LYS A 12 -11.632 -1.479 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.321 -4.304 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.000 -2.442 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.099 -4.112 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.297 -3.636 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.205 -1.967 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.103 -1.643 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.105 -3.332 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.110 -2.250 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.487 -2.874 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.814 -0.553 -9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.738 -0.706 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.404 -0.102 -8.750 1.00 0.00 H new ATOM 196 N LYS A 13 -10.509 -3.428 -1.944 1.00 0.00 N ATOM 197 CA LYS A 13 -9.650 -3.907 -0.817 1.00 0.00 C ATOM 198 C LYS A 13 -8.225 -4.156 -1.319 1.00 0.00 C ATOM 199 O LYS A 13 -7.330 -4.461 -0.554 1.00 0.00 O ATOM 200 CB LYS A 13 -10.228 -5.196 -0.208 1.00 0.00 C ATOM 201 CG LYS A 13 -11.516 -4.865 0.545 1.00 0.00 C ATOM 202 CD LYS A 13 -12.113 -6.148 1.122 1.00 0.00 C ATOM 203 CE LYS A 13 -13.451 -5.833 1.796 1.00 0.00 C ATOM 204 NZ LYS A 13 -13.236 -4.861 2.904 1.00 0.00 N ATOM 0 H LYS A 13 -10.938 -2.514 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.628 -3.139 -0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.429 -5.925 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.504 -5.649 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.309 -4.155 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.230 -4.389 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.257 -6.883 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.425 -6.589 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.149 -5.420 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.899 -6.748 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.063 -4.865 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.388 -5.131 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.106 -3.908 2.509 1.00 0.00 H new ATOM 218 N TYR A 14 -7.992 -4.006 -2.594 1.00 0.00 N ATOM 219 CA TYR A 14 -6.617 -4.213 -3.127 1.00 0.00 C ATOM 220 C TYR A 14 -6.430 -3.349 -4.372 1.00 0.00 C ATOM 221 O TYR A 14 -7.381 -2.906 -4.987 1.00 0.00 O ATOM 222 CB TYR A 14 -6.394 -5.686 -3.488 1.00 0.00 C ATOM 223 CG TYR A 14 -7.316 -6.099 -4.618 1.00 0.00 C ATOM 224 CD1 TYR A 14 -7.005 -5.757 -5.943 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.472 -6.841 -4.344 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.850 -6.153 -6.987 1.00 0.00 C ATOM 227 CE2 TYR A 14 -9.318 -7.235 -5.390 1.00 0.00 C ATOM 228 CZ TYR A 14 -9.005 -6.893 -6.710 1.00 0.00 C ATOM 229 OH TYR A 14 -9.836 -7.284 -7.741 1.00 0.00 O ATOM 0 H TYR A 14 -8.694 -3.749 -3.288 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.894 -3.930 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.356 -5.842 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.576 -6.312 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.113 -5.188 -6.158 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.712 -7.110 -3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.610 -5.887 -8.006 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.212 -7.803 -5.177 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.592 -7.791 -7.378 1.00 0.00 H new ATOM 239 N GLY A 15 -5.207 -3.107 -4.753 1.00 0.00 N ATOM 240 CA GLY A 15 -4.951 -2.271 -5.961 1.00 0.00 C ATOM 241 C GLY A 15 -3.576 -2.615 -6.532 1.00 0.00 C ATOM 242 O GLY A 15 -3.224 -3.770 -6.686 1.00 0.00 O ATOM 0 H GLY A 15 -4.372 -3.452 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.723 -2.448 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.995 -1.213 -5.701 1.00 0.00 H new ATOM 246 N PHE A 16 -2.793 -1.621 -6.855 1.00 0.00 N ATOM 247 CA PHE A 16 -1.436 -1.879 -7.425 1.00 0.00 C ATOM 248 C PHE A 16 -0.438 -0.868 -6.862 1.00 0.00 C ATOM 249 O PHE A 16 -0.803 0.200 -6.411 1.00 0.00 O ATOM 250 CB PHE A 16 -1.492 -1.736 -8.943 1.00 0.00 C ATOM 251 CG PHE A 16 -2.313 -2.862 -9.516 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.698 -4.072 -9.852 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.690 -2.697 -9.711 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.458 -5.119 -10.384 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.451 -3.744 -10.241 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.835 -4.955 -10.579 1.00 0.00 C ATOM 0 H PHE A 16 -3.035 -0.636 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.119 -2.887 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.931 -0.776 -9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.485 -1.755 -9.360 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.636 -4.198 -9.701 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.164 -1.762 -9.452 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.983 -6.053 -10.644 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.513 -3.618 -10.389 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.422 -5.763 -10.990 1.00 0.00 H new ATOM 266 N ILE A 17 0.826 -1.200 -6.889 1.00 0.00 N ATOM 267 CA ILE A 17 1.871 -0.272 -6.361 1.00 0.00 C ATOM 268 C ILE A 17 3.052 -0.239 -7.331 1.00 0.00 C ATOM 269 O ILE A 17 3.285 -1.175 -8.071 1.00 0.00 O ATOM 270 CB ILE A 17 2.353 -0.768 -4.997 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.206 -0.663 -3.989 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.531 0.090 -4.524 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.604 -1.354 -2.685 1.00 0.00 C ATOM 0 H ILE A 17 1.183 -2.082 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 17 1.451 0.728 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 17 2.675 -1.806 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.969 0.384 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.307 -1.124 -4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.873 -0.265 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.346 0.017 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.213 1.129 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.786 -1.278 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.819 -2.405 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.492 -0.873 -2.274 1.00 0.00 H new ATOM 285 N GLN A 18 3.803 0.835 -7.327 1.00 0.00 N ATOM 286 CA GLN A 18 4.984 0.946 -8.238 1.00 0.00 C ATOM 287 C GLN A 18 6.268 0.872 -7.407 1.00 0.00 C ATOM 288 O GLN A 18 6.628 1.795 -6.701 1.00 0.00 O ATOM 289 CB GLN A 18 4.928 2.277 -8.983 1.00 0.00 C ATOM 290 CG GLN A 18 6.144 2.389 -9.902 1.00 0.00 C ATOM 291 CD GLN A 18 6.005 3.615 -10.803 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.927 4.155 -10.960 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.063 4.078 -11.410 1.00 0.00 N ATOM 0 H GLN A 18 3.647 1.645 -6.727 1.00 0.00 H new ATOM 0 HA GLN A 18 4.971 0.130 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.009 2.343 -9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.916 3.104 -8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.054 2.466 -9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.235 1.489 -10.510 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.967 3.624 -11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.986 4.894 -12.017 1.00 0.00 H new ATOM 302 N GLY A 19 6.953 -0.234 -7.484 1.00 0.00 N ATOM 303 CA GLY A 19 8.209 -0.407 -6.700 1.00 0.00 C ATOM 304 C GLY A 19 9.310 0.518 -7.226 1.00 0.00 C ATOM 305 O GLY A 19 9.261 1.007 -8.337 1.00 0.00 O ATOM 0 H GLY A 19 6.695 -1.034 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.019 -0.192 -5.648 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.540 -1.444 -6.759 1.00 0.00 H new ATOM 309 N ASP A 20 10.314 0.746 -6.425 1.00 0.00 N ATOM 310 CA ASP A 20 11.446 1.616 -6.850 1.00 0.00 C ATOM 311 C ASP A 20 12.171 0.964 -8.032 1.00 0.00 C ATOM 312 O ASP A 20 12.627 1.627 -8.943 1.00 0.00 O ATOM 313 CB ASP A 20 12.417 1.759 -5.678 1.00 0.00 C ATOM 314 CG ASP A 20 13.584 2.660 -6.077 1.00 0.00 C ATOM 315 OD1 ASP A 20 13.656 3.026 -7.238 1.00 0.00 O ATOM 316 OD2 ASP A 20 14.389 2.967 -5.213 1.00 0.00 O ATOM 0 H ASP A 20 10.399 0.362 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 20 11.073 2.595 -7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.900 2.179 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.788 0.778 -5.380 1.00 0.00 H new ATOM 321 N ASP A 21 12.289 -0.337 -8.019 1.00 0.00 N ATOM 322 CA ASP A 21 12.991 -1.041 -9.133 1.00 0.00 C ATOM 323 C ASP A 21 11.980 -1.400 -10.227 1.00 0.00 C ATOM 324 O ASP A 21 12.278 -2.127 -11.156 1.00 0.00 O ATOM 325 CB ASP A 21 13.655 -2.311 -8.584 1.00 0.00 C ATOM 326 CG ASP A 21 12.630 -3.144 -7.812 1.00 0.00 C ATOM 327 OD1 ASP A 21 11.507 -2.688 -7.672 1.00 0.00 O ATOM 328 OD2 ASP A 21 12.991 -4.218 -7.362 1.00 0.00 O ATOM 0 H ASP A 21 11.929 -0.945 -7.283 1.00 0.00 H new ATOM 0 HA ASP A 21 13.756 -0.393 -9.561 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.070 -2.898 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.486 -2.044 -7.931 1.00 0.00 H new ATOM 333 N GLY A 22 10.784 -0.888 -10.130 1.00 0.00 N ATOM 334 CA GLY A 22 9.752 -1.196 -11.165 1.00 0.00 C ATOM 335 C GLY A 22 9.059 -2.515 -10.817 1.00 0.00 C ATOM 336 O GLY A 22 8.404 -3.120 -11.643 1.00 0.00 O ATOM 0 H GLY A 22 10.475 -0.270 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.020 -0.390 -11.215 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.217 -1.265 -12.148 1.00 0.00 H new ATOM 340 N GLU A 23 9.195 -2.966 -9.597 1.00 0.00 N ATOM 341 CA GLU A 23 8.538 -4.248 -9.192 1.00 0.00 C ATOM 342 C GLU A 23 7.217 -3.935 -8.483 1.00 0.00 C ATOM 343 O GLU A 23 7.189 -3.337 -7.424 1.00 0.00 O ATOM 344 CB GLU A 23 9.469 -5.022 -8.257 1.00 0.00 C ATOM 345 CG GLU A 23 10.688 -5.493 -9.054 1.00 0.00 C ATOM 346 CD GLU A 23 11.622 -6.298 -8.148 1.00 0.00 C ATOM 347 OE1 GLU A 23 11.281 -6.479 -6.992 1.00 0.00 O ATOM 348 OE2 GLU A 23 12.660 -6.721 -8.629 1.00 0.00 O ATOM 0 H GLU A 23 9.732 -2.504 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 23 8.335 -4.857 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.782 -4.389 -7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.947 -5.876 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.368 -6.105 -9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.218 -4.634 -9.466 1.00 0.00 H new ATOM 355 N SER A 24 6.119 -4.321 -9.075 1.00 0.00 N ATOM 356 CA SER A 24 4.789 -4.036 -8.463 1.00 0.00 C ATOM 357 C SER A 24 4.539 -4.967 -7.276 1.00 0.00 C ATOM 358 O SER A 24 4.958 -6.109 -7.263 1.00 0.00 O ATOM 359 CB SER A 24 3.699 -4.241 -9.516 1.00 0.00 C ATOM 360 OG SER A 24 3.678 -3.118 -10.386 1.00 0.00 O ATOM 0 H SER A 24 6.086 -4.824 -9.961 1.00 0.00 H new ATOM 0 HA SER A 24 4.772 -3.006 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.890 -5.152 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.729 -4.362 -9.035 1.00 0.00 H new ATOM 0 HG SER A 24 3.569 -2.298 -9.860 1.00 0.00 H new ATOM 366 N TYR A 25 3.844 -4.480 -6.277 1.00 0.00 N ATOM 367 CA TYR A 25 3.536 -5.309 -5.071 1.00 0.00 C ATOM 368 C TYR A 25 2.022 -5.370 -4.875 1.00 0.00 C ATOM 369 O TYR A 25 1.320 -4.393 -5.050 1.00 0.00 O ATOM 370 CB TYR A 25 4.182 -4.670 -3.846 1.00 0.00 C ATOM 371 CG TYR A 25 5.683 -4.662 -4.023 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.411 -5.847 -3.866 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.346 -3.469 -4.336 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.802 -5.840 -4.021 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.738 -3.462 -4.493 1.00 0.00 C ATOM 376 CZ TYR A 25 8.465 -4.647 -4.334 1.00 0.00 C ATOM 377 OH TYR A 25 9.837 -4.639 -4.486 1.00 0.00 O ATOM 0 H TYR A 25 3.472 -3.531 -6.246 1.00 0.00 H new ATOM 0 HA TYR A 25 3.927 -6.318 -5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.814 -3.652 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.913 -5.225 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.899 -6.767 -3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.784 -2.554 -4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.364 -6.754 -3.899 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.250 -2.543 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 25 10.137 -3.732 -4.703 1.00 0.00 H new ATOM 387 N PHE A 26 1.515 -6.514 -4.516 1.00 0.00 N ATOM 388 CA PHE A 26 0.048 -6.647 -4.314 1.00 0.00 C ATOM 389 C PHE A 26 -0.334 -6.076 -2.950 1.00 0.00 C ATOM 390 O PHE A 26 0.270 -6.385 -1.942 1.00 0.00 O ATOM 391 CB PHE A 26 -0.338 -8.121 -4.374 1.00 0.00 C ATOM 392 CG PHE A 26 -1.842 -8.239 -4.408 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.540 -7.834 -5.551 1.00 0.00 C ATOM 394 CD2 PHE A 26 -2.540 -8.745 -3.304 1.00 0.00 C ATOM 395 CE1 PHE A 26 -3.935 -7.936 -5.594 1.00 0.00 C ATOM 396 CE2 PHE A 26 -3.936 -8.846 -3.346 1.00 0.00 C ATOM 397 CZ PHE A 26 -4.633 -8.441 -4.490 1.00 0.00 C ATOM 0 H PHE A 26 2.054 -7.364 -4.353 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.478 -6.099 -5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.095 -8.587 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.061 -8.649 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.001 -7.442 -6.401 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.002 -9.057 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.473 -7.626 -6.478 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.475 -9.237 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.710 -8.518 -4.521 1.00 0.00 H new ATOM 407 N LEU A 27 -1.337 -5.239 -2.914 1.00 0.00 N ATOM 408 CA LEU A 27 -1.775 -4.632 -1.624 1.00 0.00 C ATOM 409 C LEU A 27 -3.068 -5.305 -1.169 1.00 0.00 C ATOM 410 O LEU A 27 -4.055 -5.321 -1.879 1.00 0.00 O ATOM 411 CB LEU A 27 -2.031 -3.140 -1.841 1.00 0.00 C ATOM 412 CG LEU A 27 -2.208 -2.424 -0.489 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.113 -0.907 -0.701 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.567 -2.784 0.158 1.00 0.00 C ATOM 0 H LEU A 27 -1.875 -4.948 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.004 -4.769 -0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.199 -2.697 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.923 -3.003 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.417 -2.752 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.238 -0.398 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.138 -0.659 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.896 -0.586 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.665 -2.265 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.377 -2.481 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.617 -3.860 0.324 1.00 0.00 H new ATOM 426 N HIS A 28 -3.068 -5.857 0.016 1.00 0.00 N ATOM 427 CA HIS A 28 -4.292 -6.531 0.544 1.00 0.00 C ATOM 428 C HIS A 28 -4.529 -6.094 1.991 1.00 0.00 C ATOM 429 O HIS A 28 -3.614 -5.733 2.704 1.00 0.00 O ATOM 430 CB HIS A 28 -4.097 -8.047 0.498 1.00 0.00 C ATOM 431 CG HIS A 28 -5.416 -8.729 0.739 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.623 -8.060 0.626 1.00 0.00 N ATOM 433 CD2 HIS A 28 -5.733 -10.019 1.083 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.603 -8.940 0.897 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.115 -10.151 1.183 1.00 0.00 N ATOM 0 H HIS A 28 -2.266 -5.870 0.646 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.152 -6.255 -0.066 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.694 -8.343 -0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.373 -8.354 1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.019 -10.811 1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.655 -8.698 0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -7.642 -10.991 1.423 1.00 0.00 H new ATOM 443 N PHE A 29 -5.756 -6.124 2.423 1.00 0.00 N ATOM 444 CA PHE A 29 -6.082 -5.717 3.822 1.00 0.00 C ATOM 445 C PHE A 29 -5.412 -6.695 4.792 1.00 0.00 C ATOM 446 O PHE A 29 -4.970 -6.331 5.866 1.00 0.00 O ATOM 447 CB PHE A 29 -7.610 -5.761 4.003 1.00 0.00 C ATOM 448 CG PHE A 29 -8.227 -4.437 3.606 1.00 0.00 C ATOM 449 CD1 PHE A 29 -7.764 -3.756 2.473 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.257 -3.889 4.379 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.330 -2.530 2.116 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.821 -2.660 4.021 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.357 -1.980 2.890 1.00 0.00 C ATOM 0 H PHE A 29 -6.557 -6.416 1.863 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.720 -4.708 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.031 -6.562 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.853 -5.986 5.041 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.970 -4.179 1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.616 -4.415 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.974 -2.006 1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.615 -2.236 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.792 -1.031 2.615 1.00 0.00 H new ATOM 463 N SER A 30 -5.347 -7.935 4.419 1.00 0.00 N ATOM 464 CA SER A 30 -4.719 -8.954 5.305 1.00 0.00 C ATOM 465 C SER A 30 -3.251 -8.594 5.542 1.00 0.00 C ATOM 466 O SER A 30 -2.636 -9.030 6.494 1.00 0.00 O ATOM 467 CB SER A 30 -4.805 -10.318 4.623 1.00 0.00 C ATOM 468 OG SER A 30 -4.063 -10.277 3.410 1.00 0.00 O ATOM 0 H SER A 30 -5.703 -8.294 3.533 1.00 0.00 H new ATOM 0 HA SER A 30 -5.239 -8.983 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.410 -11.093 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.845 -10.572 4.420 1.00 0.00 H new ATOM 0 HG SER A 30 -3.978 -11.184 3.048 1.00 0.00 H new ATOM 474 N GLU A 31 -2.681 -7.802 4.679 1.00 0.00 N ATOM 475 CA GLU A 31 -1.250 -7.413 4.849 1.00 0.00 C ATOM 476 C GLU A 31 -1.155 -6.185 5.758 1.00 0.00 C ATOM 477 O GLU A 31 -0.078 -5.733 6.100 1.00 0.00 O ATOM 478 CB GLU A 31 -0.655 -7.087 3.477 1.00 0.00 C ATOM 479 CG GLU A 31 -0.541 -8.373 2.654 1.00 0.00 C ATOM 480 CD GLU A 31 -0.024 -8.044 1.251 1.00 0.00 C ATOM 481 OE1 GLU A 31 0.223 -6.879 0.989 1.00 0.00 O ATOM 482 OE2 GLU A 31 0.116 -8.966 0.463 1.00 0.00 O ATOM 0 H GLU A 31 -3.143 -7.405 3.861 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.697 -8.235 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.284 -6.364 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.327 -6.629 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.135 -9.072 3.146 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.513 -8.862 2.588 1.00 0.00 H new ATOM 489 N LEU A 32 -2.271 -5.637 6.163 1.00 0.00 N ATOM 490 CA LEU A 32 -2.236 -4.437 7.055 1.00 0.00 C ATOM 491 C LEU A 32 -2.339 -4.873 8.519 1.00 0.00 C ATOM 492 O LEU A 32 -3.245 -5.582 8.912 1.00 0.00 O ATOM 493 CB LEU A 32 -3.407 -3.507 6.714 1.00 0.00 C ATOM 494 CG LEU A 32 -3.270 -3.003 5.267 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.520 -2.200 4.889 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.020 -2.109 5.124 1.00 0.00 C ATOM 0 H LEU A 32 -3.204 -5.967 5.916 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.295 -3.908 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.351 -4.037 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.425 -2.662 7.403 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.165 -3.860 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.426 -1.841 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.400 -2.837 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.624 -1.350 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.938 -1.761 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.108 -1.252 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.131 -2.683 5.385 1.00 0.00 H new ATOM 508 N LEU A 33 -1.408 -4.450 9.327 1.00 0.00 N ATOM 509 CA LEU A 33 -1.433 -4.820 10.772 1.00 0.00 C ATOM 510 C LEU A 33 -2.687 -4.237 11.420 1.00 0.00 C ATOM 511 O LEU A 33 -3.345 -4.877 12.220 1.00 0.00 O ATOM 512 CB LEU A 33 -0.185 -4.244 11.450 1.00 0.00 C ATOM 513 CG LEU A 33 1.026 -5.157 11.196 1.00 0.00 C ATOM 514 CD1 LEU A 33 0.878 -6.493 11.958 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.149 -5.423 9.688 1.00 0.00 C ATOM 0 H LEU A 33 -0.625 -3.860 9.048 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.444 -5.904 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.017 -3.244 11.066 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.357 -4.146 12.522 1.00 0.00 H new ATOM 0 HG LEU A 33 1.926 -4.660 11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.747 -7.122 11.762 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.806 -6.296 13.028 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.024 -7.005 11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.006 -6.070 9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.242 -5.910 9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.286 -4.478 9.162 1.00 0.00 H new ATOM 527 N ASP A 34 -3.021 -3.025 11.075 1.00 0.00 N ATOM 528 CA ASP A 34 -4.234 -2.369 11.646 1.00 0.00 C ATOM 529 C ASP A 34 -5.091 -1.863 10.487 1.00 0.00 C ATOM 530 O ASP A 34 -4.940 -0.752 10.020 1.00 0.00 O ATOM 531 CB ASP A 34 -3.809 -1.203 12.545 1.00 0.00 C ATOM 532 CG ASP A 34 -3.213 -1.758 13.842 1.00 0.00 C ATOM 533 OD1 ASP A 34 -3.318 -2.955 14.054 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.664 -0.977 14.603 1.00 0.00 O ATOM 0 H ASP A 34 -2.499 -2.452 10.412 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.807 -3.076 12.247 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.076 -0.580 12.031 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.667 -0.568 12.767 1.00 0.00 H new ATOM 539 N LYS A 35 -5.982 -2.690 10.009 1.00 0.00 N ATOM 540 CA LYS A 35 -6.855 -2.292 8.865 1.00 0.00 C ATOM 541 C LYS A 35 -7.409 -0.881 9.108 1.00 0.00 C ATOM 542 O LYS A 35 -7.909 -0.232 8.212 1.00 0.00 O ATOM 543 CB LYS A 35 -8.005 -3.296 8.758 1.00 0.00 C ATOM 544 CG LYS A 35 -7.443 -4.685 8.423 1.00 0.00 C ATOM 545 CD LYS A 35 -8.589 -5.693 8.295 1.00 0.00 C ATOM 546 CE LYS A 35 -8.019 -7.085 7.993 1.00 0.00 C ATOM 547 NZ LYS A 35 -9.132 -8.069 7.874 1.00 0.00 N ATOM 0 H LYS A 35 -6.144 -3.632 10.365 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.282 -2.288 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.558 -3.333 9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.707 -2.980 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.878 -4.643 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.751 -5.005 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.169 -5.719 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.269 -5.387 7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.443 -7.060 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.336 -7.389 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.742 -9.011 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.664 -8.101 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.768 -7.782 7.102 1.00 0.00 H new ATOM 561 N LYS A 36 -7.313 -0.404 10.314 1.00 0.00 N ATOM 562 CA LYS A 36 -7.813 0.966 10.629 1.00 0.00 C ATOM 563 C LYS A 36 -6.957 1.997 9.886 1.00 0.00 C ATOM 564 O LYS A 36 -7.430 3.032 9.458 1.00 0.00 O ATOM 565 CB LYS A 36 -7.707 1.204 12.134 1.00 0.00 C ATOM 566 CG LYS A 36 -8.543 0.164 12.894 1.00 0.00 C ATOM 567 CD LYS A 36 -10.034 0.336 12.569 1.00 0.00 C ATOM 568 CE LYS A 36 -10.882 -0.326 13.657 1.00 0.00 C ATOM 569 NZ LYS A 36 -10.611 -1.790 13.674 1.00 0.00 N ATOM 0 H LYS A 36 -6.907 -0.906 11.104 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.853 1.063 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.665 1.143 12.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.054 2.208 12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.219 -0.841 12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.383 0.273 13.967 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.280 1.395 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.258 -0.109 11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.650 0.109 14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.940 -0.143 13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.333 -2.270 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.640 -2.160 12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.671 -1.964 14.083 1.00 0.00 H new ATOM 583 N ASP A 37 -5.690 1.724 9.746 1.00 0.00 N ATOM 584 CA ASP A 37 -4.786 2.681 9.045 1.00 0.00 C ATOM 585 C ASP A 37 -5.053 2.636 7.539 1.00 0.00 C ATOM 586 O ASP A 37 -4.469 3.375 6.774 1.00 0.00 O ATOM 587 CB ASP A 37 -3.331 2.298 9.323 1.00 0.00 C ATOM 588 CG ASP A 37 -3.094 0.845 8.902 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.918 0.317 8.171 1.00 0.00 O ATOM 590 OD2 ASP A 37 -2.095 0.282 9.320 1.00 0.00 O ATOM 0 H ASP A 37 -5.239 0.876 10.088 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.973 3.691 9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.659 2.960 8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.108 2.421 10.383 1.00 0.00 H new ATOM 595 N GLU A 38 -5.931 1.777 7.109 1.00 0.00 N ATOM 596 CA GLU A 38 -6.239 1.680 5.650 1.00 0.00 C ATOM 597 C GLU A 38 -6.851 3.003 5.165 1.00 0.00 C ATOM 598 O GLU A 38 -6.630 3.440 4.051 1.00 0.00 O ATOM 599 CB GLU A 38 -7.235 0.529 5.428 1.00 0.00 C ATOM 600 CG GLU A 38 -8.650 0.969 5.833 1.00 0.00 C ATOM 601 CD GLU A 38 -9.559 -0.255 5.953 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.073 -1.290 6.376 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.729 -0.130 5.630 1.00 0.00 O ATOM 0 H GLU A 38 -6.453 1.134 7.704 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.325 1.487 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.226 0.227 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.935 -0.340 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.617 1.503 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.052 1.660 5.092 1.00 0.00 H new ATOM 610 N GLY A 39 -7.640 3.629 5.994 1.00 0.00 N ATOM 611 CA GLY A 39 -8.289 4.911 5.589 1.00 0.00 C ATOM 612 C GLY A 39 -7.303 6.065 5.769 1.00 0.00 C ATOM 613 O GLY A 39 -7.517 7.163 5.295 1.00 0.00 O ATOM 0 H GLY A 39 -7.865 3.309 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.612 4.854 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.181 5.085 6.191 1.00 0.00 H new ATOM 617 N LYS A 40 -6.218 5.823 6.448 1.00 0.00 N ATOM 618 CA LYS A 40 -5.205 6.901 6.660 1.00 0.00 C ATOM 619 C LYS A 40 -4.115 6.788 5.592 1.00 0.00 C ATOM 620 O LYS A 40 -3.118 7.484 5.623 1.00 0.00 O ATOM 621 CB LYS A 40 -4.578 6.744 8.050 1.00 0.00 C ATOM 622 CG LYS A 40 -5.603 7.123 9.131 1.00 0.00 C ATOM 623 CD LYS A 40 -4.915 7.254 10.498 1.00 0.00 C ATOM 624 CE LYS A 40 -4.576 5.872 11.057 1.00 0.00 C ATOM 625 NZ LYS A 40 -4.088 6.013 12.457 1.00 0.00 N ATOM 0 H LYS A 40 -5.985 4.923 6.868 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.687 7.876 6.587 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.246 5.716 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.696 7.378 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.087 8.064 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.385 6.365 9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.006 7.847 10.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.568 7.784 11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.457 5.230 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.814 5.395 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.856 5.074 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.238 6.611 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.829 6.452 13.040 1.00 0.00 H new ATOM 639 N LEU A 41 -4.293 5.909 4.646 1.00 0.00 N ATOM 640 CA LEU A 41 -3.267 5.735 3.577 1.00 0.00 C ATOM 641 C LEU A 41 -3.238 6.968 2.677 1.00 0.00 C ATOM 642 O LEU A 41 -4.199 7.708 2.586 1.00 0.00 O ATOM 643 CB LEU A 41 -3.607 4.506 2.736 1.00 0.00 C ATOM 644 CG LEU A 41 -3.564 3.256 3.622 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.055 2.047 2.820 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.128 2.999 4.129 1.00 0.00 C ATOM 0 H LEU A 41 -5.108 5.301 4.566 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.290 5.604 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.597 4.617 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.899 4.407 1.914 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.212 3.412 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.025 1.157 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.078 2.222 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.412 1.900 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.118 2.108 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.463 2.852 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.789 3.856 4.711 1.00 0.00 H new ATOM 658 N VAL A 42 -2.130 7.197 2.016 1.00 0.00 N ATOM 659 CA VAL A 42 -2.005 8.388 1.122 1.00 0.00 C ATOM 660 C VAL A 42 -1.948 7.932 -0.339 1.00 0.00 C ATOM 661 O VAL A 42 -1.185 7.060 -0.706 1.00 0.00 O ATOM 662 CB VAL A 42 -0.723 9.146 1.483 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.498 8.232 1.329 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.579 10.359 0.566 1.00 0.00 C ATOM 0 H VAL A 42 -1.301 6.605 2.058 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.867 9.042 1.253 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.783 9.475 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.401 8.784 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.395 7.373 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.567 7.888 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.332 10.901 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.527 10.027 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.439 11.016 0.694 1.00 0.00 H new ATOM 674 N LYS A 43 -2.777 8.507 -1.171 1.00 0.00 N ATOM 675 CA LYS A 43 -2.810 8.114 -2.615 1.00 0.00 C ATOM 676 C LYS A 43 -2.006 9.101 -3.468 1.00 0.00 C ATOM 677 O LYS A 43 -2.090 10.303 -3.304 1.00 0.00 O ATOM 678 CB LYS A 43 -4.258 8.099 -3.104 1.00 0.00 C ATOM 679 CG LYS A 43 -4.303 7.633 -4.566 1.00 0.00 C ATOM 680 CD LYS A 43 -5.752 7.589 -5.050 1.00 0.00 C ATOM 681 CE LYS A 43 -5.784 7.122 -6.506 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.325 5.707 -6.584 1.00 0.00 N ATOM 0 H LYS A 43 -3.439 9.238 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.367 7.123 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.856 7.434 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.693 9.095 -3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.721 8.310 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.849 6.646 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.336 6.912 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.207 8.576 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.794 7.210 -6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.143 7.758 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.739 5.254 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.288 5.682 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.628 5.196 -5.730 1.00 0.00 H new ATOM 696 N GLY A 44 -1.254 8.588 -4.404 1.00 0.00 N ATOM 697 CA GLY A 44 -0.460 9.468 -5.308 1.00 0.00 C ATOM 698 C GLY A 44 0.801 9.957 -4.602 1.00 0.00 C ATOM 699 O GLY A 44 1.341 10.995 -4.936 1.00 0.00 O ATOM 0 H GLY A 44 -1.155 7.589 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.190 8.922 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.064 10.320 -5.619 1.00 0.00 H new ATOM 703 N SER A 45 1.280 9.234 -3.625 1.00 0.00 N ATOM 704 CA SER A 45 2.511 9.685 -2.904 1.00 0.00 C ATOM 705 C SER A 45 3.407 8.493 -2.564 1.00 0.00 C ATOM 706 O SER A 45 3.163 7.367 -2.965 1.00 0.00 O ATOM 707 CB SER A 45 2.109 10.397 -1.615 1.00 0.00 C ATOM 708 OG SER A 45 0.995 11.243 -1.873 1.00 0.00 O ATOM 0 H SER A 45 0.877 8.357 -3.295 1.00 0.00 H new ATOM 0 HA SER A 45 3.065 10.365 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.855 9.667 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.945 10.983 -1.234 1.00 0.00 H new ATOM 0 HG SER A 45 0.930 11.922 -1.170 1.00 0.00 H new ATOM 714 N MET A 46 4.459 8.749 -1.833 1.00 0.00 N ATOM 715 CA MET A 46 5.411 7.667 -1.457 1.00 0.00 C ATOM 716 C MET A 46 4.862 6.852 -0.287 1.00 0.00 C ATOM 717 O MET A 46 4.150 7.354 0.563 1.00 0.00 O ATOM 718 CB MET A 46 6.742 8.294 -1.044 1.00 0.00 C ATOM 719 CG MET A 46 7.381 8.970 -2.255 1.00 0.00 C ATOM 720 SD MET A 46 8.907 9.804 -1.750 1.00 0.00 S ATOM 721 CE MET A 46 10.026 8.394 -1.946 1.00 0.00 C ATOM 0 H MET A 46 4.701 9.674 -1.477 1.00 0.00 H new ATOM 0 HA MET A 46 5.550 7.007 -2.314 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.582 9.022 -0.249 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.409 7.529 -0.646 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.597 8.230 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.688 9.690 -2.690 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.818 8.452 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.469 7.466 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.465 8.414 -2.943 1.00 0.00 H new ATOM 731 N VAL A 47 5.203 5.592 -0.236 1.00 0.00 N ATOM 732 CA VAL A 47 4.729 4.714 0.873 1.00 0.00 C ATOM 733 C VAL A 47 5.907 3.887 1.377 1.00 0.00 C ATOM 734 O VAL A 47 6.926 3.787 0.721 1.00 0.00 O ATOM 735 CB VAL A 47 3.636 3.782 0.358 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.467 4.616 -0.159 1.00 0.00 C ATOM 737 CG2 VAL A 47 4.188 2.915 -0.776 1.00 0.00 C ATOM 0 H VAL A 47 5.797 5.129 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 47 4.326 5.323 1.682 1.00 0.00 H new ATOM 0 HB VAL A 47 3.296 3.137 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.683 3.954 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.072 5.230 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.810 5.260 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.404 2.251 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.530 3.555 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.024 2.321 -0.406 1.00 0.00 H new ATOM 747 N HIS A 48 5.783 3.295 2.539 1.00 0.00 N ATOM 748 CA HIS A 48 6.905 2.473 3.093 1.00 0.00 C ATOM 749 C HIS A 48 6.393 1.090 3.481 1.00 0.00 C ATOM 750 O HIS A 48 5.374 0.945 4.128 1.00 0.00 O ATOM 751 CB HIS A 48 7.481 3.167 4.321 1.00 0.00 C ATOM 752 CG HIS A 48 8.684 2.405 4.801 1.00 0.00 C ATOM 753 ND1 HIS A 48 9.857 2.344 4.067 1.00 0.00 N ATOM 754 CD2 HIS A 48 8.909 1.664 5.933 1.00 0.00 C ATOM 755 CE1 HIS A 48 10.729 1.589 4.759 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.202 1.149 5.905 1.00 0.00 N ATOM 0 H HIS A 48 4.953 3.345 3.129 1.00 0.00 H new ATOM 0 HA HIS A 48 7.681 2.366 2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.759 4.192 4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.730 3.219 5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.192 1.504 6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 48 11.733 1.366 4.428 1.00 0.00 H new ATOM 0 HE2 HIS A 48 10.651 0.562 6.608 1.00 0.00 H new ATOM 764 N PHE A 49 7.102 0.066 3.090 1.00 0.00 N ATOM 765 CA PHE A 49 6.677 -1.321 3.429 1.00 0.00 C ATOM 766 C PHE A 49 7.909 -2.215 3.540 1.00 0.00 C ATOM 767 O PHE A 49 8.981 -1.868 3.086 1.00 0.00 O ATOM 768 CB PHE A 49 5.748 -1.864 2.338 1.00 0.00 C ATOM 769 CG PHE A 49 6.466 -1.886 1.006 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.459 -0.749 0.191 1.00 0.00 C ATOM 771 CD2 PHE A 49 7.125 -3.047 0.581 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.112 -0.770 -1.048 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.777 -3.068 -0.660 1.00 0.00 C ATOM 774 CZ PHE A 49 7.769 -1.930 -1.474 1.00 0.00 C ATOM 0 H PHE A 49 7.963 0.132 2.547 1.00 0.00 H new ATOM 0 HA PHE A 49 6.144 -1.311 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.418 -2.870 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.855 -1.243 2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.950 0.146 0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.131 -3.926 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.108 0.109 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.285 -3.963 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.270 -1.947 -2.431 1.00 0.00 H new ATOM 784 N ASP A 50 7.769 -3.366 4.144 1.00 0.00 N ATOM 785 CA ASP A 50 8.937 -4.289 4.287 1.00 0.00 C ATOM 786 C ASP A 50 8.907 -5.315 3.143 1.00 0.00 C ATOM 787 O ASP A 50 7.858 -5.640 2.628 1.00 0.00 O ATOM 788 CB ASP A 50 8.843 -5.015 5.639 1.00 0.00 C ATOM 789 CG ASP A 50 9.460 -4.148 6.739 1.00 0.00 C ATOM 790 OD1 ASP A 50 10.517 -3.586 6.499 1.00 0.00 O ATOM 791 OD2 ASP A 50 8.865 -4.058 7.800 1.00 0.00 O ATOM 0 H ASP A 50 6.896 -3.708 4.545 1.00 0.00 H new ATOM 0 HA ASP A 50 9.868 -3.724 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.801 -5.230 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.361 -5.972 5.585 1.00 0.00 H new ATOM 796 N PRO A 51 10.049 -5.821 2.750 1.00 0.00 N ATOM 797 CA PRO A 51 10.149 -6.820 1.645 1.00 0.00 C ATOM 798 C PRO A 51 9.445 -8.143 1.976 1.00 0.00 C ATOM 799 O PRO A 51 9.350 -8.556 3.116 1.00 0.00 O ATOM 800 CB PRO A 51 11.666 -7.023 1.459 1.00 0.00 C ATOM 801 CG PRO A 51 12.287 -6.576 2.748 1.00 0.00 C ATOM 802 CD PRO A 51 11.368 -5.494 3.311 1.00 0.00 C ATOM 0 HA PRO A 51 9.653 -6.468 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.900 -8.067 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.041 -6.439 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.380 -7.409 3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.291 -6.186 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.353 -5.510 4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.694 -4.498 3.011 1.00 0.00 H new ATOM 810 N THR A 52 8.953 -8.811 0.970 1.00 0.00 N ATOM 811 CA THR A 52 8.254 -10.107 1.189 1.00 0.00 C ATOM 812 C THR A 52 8.476 -10.998 -0.043 1.00 0.00 C ATOM 813 O THR A 52 7.686 -10.985 -0.964 1.00 0.00 O ATOM 814 CB THR A 52 6.749 -9.856 1.374 1.00 0.00 C ATOM 815 OG1 THR A 52 6.024 -10.982 0.908 1.00 0.00 O ATOM 816 CG2 THR A 52 6.324 -8.617 0.587 1.00 0.00 C ATOM 0 H THR A 52 9.006 -8.511 -0.003 1.00 0.00 H new ATOM 0 HA THR A 52 8.647 -10.596 2.081 1.00 0.00 H new ATOM 0 HB THR A 52 6.541 -9.695 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.167 -11.087 -0.056 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.256 -8.447 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.878 -7.750 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.534 -8.769 -0.472 1.00 0.00 H new ATOM 895 N LEU A 58 3.821 -11.207 -5.575 1.00 0.00 N ATOM 896 CA LEU A 58 4.470 -10.011 -4.947 1.00 0.00 C ATOM 897 C LEU A 58 3.540 -9.380 -3.915 1.00 0.00 C ATOM 898 O LEU A 58 2.333 -9.388 -4.051 1.00 0.00 O ATOM 899 CB LEU A 58 4.825 -8.967 -6.016 1.00 0.00 C ATOM 900 CG LEU A 58 5.647 -9.622 -7.128 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.872 -8.606 -8.252 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.008 -10.080 -6.577 1.00 0.00 C ATOM 0 HA LEU A 58 5.383 -10.343 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.915 -8.534 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.390 -8.150 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 58 5.107 -10.488 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.457 -9.067 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.909 -8.284 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.410 -7.743 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.586 -10.545 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.552 -9.219 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.852 -10.801 -5.775 1.00 0.00 H new ATOM 914 N ALA A 59 4.100 -8.824 -2.873 1.00 0.00 N ATOM 915 CA ALA A 59 3.258 -8.189 -1.822 1.00 0.00 C ATOM 916 C ALA A 59 4.046 -7.074 -1.135 1.00 0.00 C ATOM 917 O ALA A 59 5.233 -6.914 -1.338 1.00 0.00 O ATOM 918 CB ALA A 59 2.858 -9.239 -0.782 1.00 0.00 C ATOM 0 H ALA A 59 5.105 -8.783 -2.706 1.00 0.00 H new ATOM 0 HA ALA A 59 2.363 -7.771 -2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.242 -8.773 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.293 -10.035 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.754 -9.658 -0.324 1.00 0.00 H new ATOM 924 N ALA A 60 3.385 -6.299 -0.319 1.00 0.00 N ATOM 925 CA ALA A 60 4.068 -5.182 0.402 1.00 0.00 C ATOM 926 C ALA A 60 4.333 -5.613 1.845 1.00 0.00 C ATOM 927 O ALA A 60 5.413 -5.441 2.372 1.00 0.00 O ATOM 928 CB ALA A 60 3.138 -3.973 0.411 1.00 0.00 C ATOM 0 H ALA A 60 2.389 -6.392 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 60 5.008 -4.933 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.620 -3.147 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.919 -3.675 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.210 -4.232 0.920 1.00 0.00 H new ATOM 934 N LYS A 61 3.347 -6.184 2.480 1.00 0.00 N ATOM 935 CA LYS A 61 3.514 -6.650 3.890 1.00 0.00 C ATOM 936 C LYS A 61 3.897 -5.484 4.810 1.00 0.00 C ATOM 937 O LYS A 61 4.819 -4.734 4.549 1.00 0.00 O ATOM 938 CB LYS A 61 4.589 -7.742 3.952 1.00 0.00 C ATOM 939 CG LYS A 61 4.654 -8.321 5.367 1.00 0.00 C ATOM 940 CD LYS A 61 5.674 -9.460 5.396 1.00 0.00 C ATOM 941 CE LYS A 61 5.736 -10.061 6.800 1.00 0.00 C ATOM 942 NZ LYS A 61 6.703 -11.195 6.811 1.00 0.00 N ATOM 0 H LYS A 61 2.423 -6.350 2.080 1.00 0.00 H new ATOM 0 HA LYS A 61 2.563 -7.058 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.361 -8.531 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.558 -7.328 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.937 -7.545 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.673 -8.687 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.397 -10.228 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.657 -9.088 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.041 -9.301 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.748 -10.408 7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.746 -11.605 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.393 -11.922 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.646 -10.850 6.539 1.00 0.00 H new ATOM 956 N ALA A 62 3.182 -5.338 5.892 1.00 0.00 N ATOM 957 CA ALA A 62 3.469 -4.236 6.856 1.00 0.00 C ATOM 958 C ALA A 62 3.618 -2.912 6.102 1.00 0.00 C ATOM 959 O ALA A 62 4.701 -2.512 5.730 1.00 0.00 O ATOM 960 CB ALA A 62 4.751 -4.550 7.631 1.00 0.00 C ATOM 0 H ALA A 62 2.402 -5.942 6.153 1.00 0.00 H new ATOM 0 HA ALA A 62 2.642 -4.148 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.958 -3.743 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.626 -5.485 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.583 -4.646 6.934 1.00 0.00 H new ATOM 966 N ILE A 63 2.524 -2.231 5.878 1.00 0.00 N ATOM 967 CA ILE A 63 2.564 -0.926 5.146 1.00 0.00 C ATOM 968 C ILE A 63 2.420 0.226 6.139 1.00 0.00 C ATOM 969 O ILE A 63 1.615 0.179 7.049 1.00 0.00 O ATOM 970 CB ILE A 63 1.414 -0.876 4.141 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.650 -1.931 3.058 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.352 0.512 3.496 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.380 -2.113 2.221 1.00 0.00 C ATOM 0 H ILE A 63 1.593 -2.526 6.174 1.00 0.00 H new ATOM 0 HA ILE A 63 3.515 -0.833 4.622 1.00 0.00 H new ATOM 0 HB ILE A 63 0.473 -1.076 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.478 -1.628 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.932 -2.879 3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.531 0.544 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.190 1.265 4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.291 0.716 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.556 -2.865 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.437 -2.437 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.117 -1.167 1.749 1.00 0.00 H new ATOM 985 N SER A 64 3.200 1.265 5.971 1.00 0.00 N ATOM 986 CA SER A 64 3.125 2.433 6.902 1.00 0.00 C ATOM 987 C SER A 64 3.122 3.734 6.102 1.00 0.00 C ATOM 988 O SER A 64 3.514 3.781 4.946 1.00 0.00 O ATOM 989 CB SER A 64 4.334 2.426 7.837 1.00 0.00 C ATOM 990 OG SER A 64 5.523 2.351 7.064 1.00 0.00 O ATOM 0 H SER A 64 3.889 1.355 5.225 1.00 0.00 H new ATOM 0 HA SER A 64 2.208 2.361 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.340 3.328 8.449 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.276 1.578 8.519 1.00 0.00 H new ATOM 0 HG SER A 64 6.301 2.348 7.660 1.00 0.00 H new ATOM 996 N LEU A 65 2.665 4.792 6.721 1.00 0.00 N ATOM 997 CA LEU A 65 2.597 6.123 6.051 1.00 0.00 C ATOM 998 C LEU A 65 3.471 7.119 6.824 1.00 0.00 C ATOM 999 O LEU A 65 2.979 7.879 7.631 1.00 0.00 O ATOM 1000 CB LEU A 65 1.143 6.612 6.065 1.00 0.00 C ATOM 1001 CG LEU A 65 0.500 6.354 7.455 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.492 7.478 7.787 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.248 5.007 7.453 1.00 0.00 C ATOM 0 H LEU A 65 2.329 4.787 7.684 1.00 0.00 H new ATOM 0 HA LEU A 65 2.952 6.042 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.108 7.676 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.572 6.098 5.292 1.00 0.00 H new ATOM 0 HG LEU A 65 1.291 6.328 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.940 7.292 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.033 8.433 7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.274 7.508 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.694 4.837 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.032 5.027 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.452 4.202 7.229 1.00 0.00 H new ATOM 1015 N PRO A 66 4.757 7.112 6.585 1.00 0.00 N ATOM 1016 CA PRO A 66 5.711 8.025 7.277 1.00 0.00 C ATOM 1017 C PRO A 66 5.758 9.397 6.599 1.00 0.00 C ATOM 1018 O PRO A 66 6.466 10.293 7.020 1.00 0.00 O ATOM 1019 CB PRO A 66 7.047 7.294 7.123 1.00 0.00 C ATOM 1020 CG PRO A 66 6.939 6.593 5.805 1.00 0.00 C ATOM 1021 CD PRO A 66 5.453 6.241 5.619 1.00 0.00 C ATOM 0 HA PRO A 66 5.440 8.224 8.314 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.885 7.991 7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.209 6.587 7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.291 7.232 4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.555 5.694 5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.122 6.432 4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.264 5.187 5.823 1.00 0.00 H new