USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot 175:sc= -0.916! USER MOD Set 1.2: A 107 GLN :FLIP amide:sc= -4.46! C(o=-6!,f=-5.4!) USER MOD Single : A 70 HIS : no HE2:sc= -4.08 K(o=-4.1,f=-5.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 72 TYR OH : rot 60:sc= 0.112! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= -2.25 (180deg=-6.56!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 104 THR OG1 : rot 126:sc= 0.982 USER MOD Single : A 114 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.7!) USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.274) USER MOD Single : A 120 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.020 3.883 10.767 1.00 0.00 N ATOM 16 CA LEU A 65 0.164 4.632 9.875 1.00 0.00 C ATOM 17 C LEU A 65 0.956 5.406 8.844 1.00 0.00 C ATOM 18 O LEU A 65 2.029 5.947 9.117 1.00 0.00 O ATOM 19 CB LEU A 65 -0.747 5.579 10.644 1.00 0.00 C ATOM 20 CG LEU A 65 -1.477 6.593 9.780 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.337 5.877 8.752 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.318 7.529 10.636 1.00 0.00 C ATOM 0 HA LEU A 65 -0.451 3.900 9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.483 4.990 11.191 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.152 6.113 11.385 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.739 7.199 9.254 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.857 6.612 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.705 5.255 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.068 5.249 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.831 8.246 9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.054 6.950 11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.672 8.063 11.333 1.00 0.00 H new ATOM 34 N VAL A 66 0.393 5.437 7.657 1.00 0.00 N ATOM 35 CA VAL A 66 0.986 6.123 6.527 1.00 0.00 C ATOM 36 C VAL A 66 0.022 7.126 5.910 1.00 0.00 C ATOM 37 O VAL A 66 -1.092 7.318 6.393 1.00 0.00 O ATOM 38 CB VAL A 66 1.392 5.122 5.446 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.706 4.449 5.803 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.295 4.089 5.226 1.00 0.00 C ATOM 0 H VAL A 66 -0.496 4.984 7.445 1.00 0.00 H new ATOM 0 HA VAL A 66 1.862 6.652 6.902 1.00 0.00 H new ATOM 0 HB VAL A 66 1.533 5.667 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.976 3.740 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.488 5.203 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.598 3.920 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.606 3.387 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.113 3.548 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.620 4.591 4.913 1.00 0.00 H new ATOM 50 N ILE A 67 0.457 7.750 4.827 1.00 0.00 N ATOM 51 CA ILE A 67 -0.363 8.719 4.125 1.00 0.00 C ATOM 52 C ILE A 67 -0.106 8.657 2.627 1.00 0.00 C ATOM 53 O ILE A 67 1.035 8.737 2.171 1.00 0.00 O ATOM 54 CB ILE A 67 -0.152 10.157 4.661 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.371 10.548 5.488 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.071 11.154 3.531 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.428 12.006 5.890 1.00 0.00 C ATOM 0 H ILE A 67 1.378 7.600 4.415 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.405 8.456 4.310 1.00 0.00 H new ATOM 0 HB ILE A 67 0.745 10.177 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.270 10.308 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.391 9.936 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.215 12.151 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.956 10.868 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.798 11.158 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.330 12.187 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.552 12.253 6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.444 12.630 4.996 1.00 0.00 H new ATOM 69 N ALA A 68 -1.181 8.504 1.873 1.00 0.00 N ATOM 70 CA ALA A 68 -1.091 8.416 0.421 1.00 0.00 C ATOM 71 C ALA A 68 -0.439 9.657 -0.173 1.00 0.00 C ATOM 72 O ALA A 68 -0.574 10.759 0.356 1.00 0.00 O ATOM 73 CB ALA A 68 -2.466 8.194 -0.186 1.00 0.00 C ATOM 0 H ALA A 68 -2.130 8.438 2.241 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.460 7.561 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.379 8.131 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.888 7.266 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.119 9.026 0.078 1.00 0.00 H new ATOM 79 N LEU A 69 0.268 9.464 -1.279 1.00 0.00 N ATOM 80 CA LEU A 69 0.945 10.559 -1.957 1.00 0.00 C ATOM 81 C LEU A 69 0.153 11.015 -3.182 1.00 0.00 C ATOM 82 O LEU A 69 0.294 12.149 -3.637 1.00 0.00 O ATOM 83 CB LEU A 69 2.357 10.131 -2.360 1.00 0.00 C ATOM 84 CG LEU A 69 3.342 9.978 -1.196 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.744 9.660 -1.703 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.359 11.237 -0.344 1.00 0.00 C ATOM 0 H LEU A 69 0.387 8.555 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 69 1.014 11.402 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.295 9.181 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.757 10.864 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 69 3.008 9.144 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.422 9.557 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.724 8.728 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.089 10.468 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.064 11.111 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.663 12.086 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.362 11.418 0.058 1.00 0.00 H new ATOM 98 N HIS A 70 -0.690 10.125 -3.706 1.00 0.00 N ATOM 99 CA HIS A 70 -1.514 10.441 -4.870 1.00 0.00 C ATOM 100 C HIS A 70 -2.888 9.790 -4.754 1.00 0.00 C ATOM 101 O HIS A 70 -3.190 9.129 -3.760 1.00 0.00 O ATOM 102 CB HIS A 70 -0.836 9.991 -6.172 1.00 0.00 C ATOM 103 CG HIS A 70 0.174 8.897 -6.000 1.00 0.00 C ATOM 104 ND1 HIS A 70 0.057 7.663 -6.603 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.328 8.862 -5.295 1.00 0.00 C ATOM 106 CE1 HIS A 70 1.094 6.915 -6.274 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.880 7.618 -5.482 1.00 0.00 N ATOM 0 H HIS A 70 -0.819 9.181 -3.342 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.635 11.524 -4.899 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.603 9.654 -6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.347 10.852 -6.629 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.711 7.373 -7.209 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.739 9.662 -4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.269 5.900 -6.598 1.00 0.00 H new ATOM 116 N SER A 71 -3.715 9.976 -5.777 1.00 0.00 N ATOM 117 CA SER A 71 -5.055 9.401 -5.792 1.00 0.00 C ATOM 118 C SER A 71 -5.001 7.948 -6.248 1.00 0.00 C ATOM 119 O SER A 71 -4.456 7.642 -7.309 1.00 0.00 O ATOM 120 CB SER A 71 -5.973 10.205 -6.714 1.00 0.00 C ATOM 121 OG SER A 71 -5.518 11.540 -6.852 1.00 0.00 O ATOM 0 H SER A 71 -3.481 10.521 -6.607 1.00 0.00 H new ATOM 0 HA SER A 71 -5.457 9.439 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.016 9.729 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.987 10.203 -6.314 1.00 0.00 H new ATOM 0 HG SER A 71 -6.122 12.031 -7.448 1.00 0.00 H new ATOM 127 N TYR A 72 -5.554 7.053 -5.438 1.00 0.00 N ATOM 128 CA TYR A 72 -5.543 5.629 -5.769 1.00 0.00 C ATOM 129 C TYR A 72 -6.901 5.130 -6.252 1.00 0.00 C ATOM 130 O TYR A 72 -7.949 5.582 -5.790 1.00 0.00 O ATOM 131 CB TYR A 72 -5.113 4.792 -4.566 1.00 0.00 C ATOM 132 CG TYR A 72 -4.907 3.331 -4.902 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.166 2.952 -6.015 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.459 2.333 -4.113 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.981 1.619 -6.329 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.280 0.998 -4.420 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.541 0.647 -5.528 1.00 0.00 C ATOM 138 OH TYR A 72 -4.364 -0.680 -5.839 1.00 0.00 O ATOM 0 H TYR A 72 -6.012 7.282 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.825 5.514 -6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.187 5.199 -4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.868 4.876 -3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.727 3.712 -6.645 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.039 2.604 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.401 1.341 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.717 0.234 -3.795 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.407 -0.893 -5.833 1.00 0.00 H new ATOM 148 N GLU A 73 -6.859 4.171 -7.173 1.00 0.00 N ATOM 149 CA GLU A 73 -8.054 3.565 -7.724 1.00 0.00 C ATOM 150 C GLU A 73 -7.877 2.049 -7.815 1.00 0.00 C ATOM 151 O GLU A 73 -7.331 1.531 -8.790 1.00 0.00 O ATOM 152 CB GLU A 73 -8.345 4.144 -9.092 1.00 0.00 C ATOM 153 CG GLU A 73 -9.653 4.907 -9.157 1.00 0.00 C ATOM 154 CD GLU A 73 -9.783 5.739 -10.418 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.876 6.553 -10.690 1.00 0.00 O ATOM 156 OE2 GLU A 73 -10.794 5.576 -11.134 1.00 0.00 O ATOM 0 H GLU A 73 -5.991 3.796 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.897 3.780 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.530 4.809 -9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.368 3.336 -9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.483 4.202 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.732 5.559 -8.287 1.00 0.00 H new ATOM 163 N PRO A 74 -8.331 1.328 -6.783 1.00 0.00 N ATOM 164 CA PRO A 74 -8.238 -0.126 -6.690 1.00 0.00 C ATOM 165 C PRO A 74 -8.450 -0.832 -8.026 1.00 0.00 C ATOM 166 O PRO A 74 -9.481 -0.667 -8.676 1.00 0.00 O ATOM 167 CB PRO A 74 -9.356 -0.494 -5.699 1.00 0.00 C ATOM 168 CG PRO A 74 -9.956 0.801 -5.240 1.00 0.00 C ATOM 169 CD PRO A 74 -8.976 1.879 -5.605 1.00 0.00 C ATOM 0 HA PRO A 74 -7.243 -0.441 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.107 -1.123 -6.177 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.958 -1.058 -4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.919 0.974 -5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.134 0.786 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.474 2.825 -5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.263 2.069 -4.803 1.00 0.00 H new ATOM 177 N SER A 75 -7.460 -1.628 -8.420 1.00 0.00 N ATOM 178 CA SER A 75 -7.523 -2.375 -9.669 1.00 0.00 C ATOM 179 C SER A 75 -7.416 -3.873 -9.404 1.00 0.00 C ATOM 180 O SER A 75 -8.094 -4.678 -10.042 1.00 0.00 O ATOM 181 CB SER A 75 -6.405 -1.929 -10.613 1.00 0.00 C ATOM 182 OG SER A 75 -5.976 -0.612 -10.310 1.00 0.00 O ATOM 0 H SER A 75 -6.601 -1.772 -7.888 1.00 0.00 H new ATOM 0 HA SER A 75 -8.485 -2.172 -10.141 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.563 -2.616 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.756 -1.972 -11.644 1.00 0.00 H new ATOM 0 HG SER A 75 -5.260 -0.351 -10.926 1.00 0.00 H new ATOM 188 N HIS A 76 -6.559 -4.241 -8.455 1.00 0.00 N ATOM 189 CA HIS A 76 -6.363 -5.642 -8.100 1.00 0.00 C ATOM 190 C HIS A 76 -7.479 -6.126 -7.178 1.00 0.00 C ATOM 191 O HIS A 76 -8.254 -5.327 -6.654 1.00 0.00 O ATOM 192 CB HIS A 76 -5.002 -5.835 -7.423 1.00 0.00 C ATOM 193 CG HIS A 76 -3.908 -6.198 -8.376 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.829 -5.696 -9.658 1.00 0.00 N ATOM 195 CD2 HIS A 76 -2.841 -7.020 -8.229 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.762 -6.194 -10.258 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.146 -6.998 -9.413 1.00 0.00 N ATOM 0 H HIS A 76 -5.989 -3.587 -7.918 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.389 -6.233 -9.016 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.730 -4.916 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.088 -6.616 -6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.585 -7.586 -7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -2.448 -5.979 -11.269 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -1.291 -7.519 -9.608 1.00 0.00 H new ATOM 206 N ASP A 77 -7.555 -7.440 -6.985 1.00 0.00 N ATOM 207 CA ASP A 77 -8.577 -8.026 -6.126 1.00 0.00 C ATOM 208 C ASP A 77 -8.232 -7.822 -4.653 1.00 0.00 C ATOM 209 O ASP A 77 -7.065 -7.881 -4.265 1.00 0.00 O ATOM 210 CB ASP A 77 -8.730 -9.520 -6.428 1.00 0.00 C ATOM 211 CG ASP A 77 -10.088 -9.855 -7.013 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.593 -9.062 -7.834 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.647 -10.912 -6.649 1.00 0.00 O ATOM 0 H ASP A 77 -6.922 -8.117 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.522 -7.523 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.951 -9.829 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.582 -10.090 -5.511 1.00 0.00 H new ATOM 218 N GLY A 78 -9.254 -7.582 -3.837 1.00 0.00 N ATOM 219 CA GLY A 78 -9.035 -7.374 -2.418 1.00 0.00 C ATOM 220 C GLY A 78 -8.156 -6.173 -2.139 1.00 0.00 C ATOM 221 O GLY A 78 -7.316 -6.209 -1.240 1.00 0.00 O ATOM 0 H GLY A 78 -10.229 -7.528 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.996 -7.241 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.575 -8.265 -1.990 1.00 0.00 H new ATOM 225 N ASP A 79 -8.348 -5.106 -2.909 1.00 0.00 N ATOM 226 CA ASP A 79 -7.560 -3.893 -2.735 1.00 0.00 C ATOM 227 C ASP A 79 -8.384 -2.794 -2.079 1.00 0.00 C ATOM 228 O ASP A 79 -9.612 -2.778 -2.171 1.00 0.00 O ATOM 229 CB ASP A 79 -7.025 -3.408 -4.081 1.00 0.00 C ATOM 230 CG ASP A 79 -6.003 -4.359 -4.668 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.311 -5.564 -4.783 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.894 -3.900 -5.009 1.00 0.00 O ATOM 0 H ASP A 79 -9.040 -5.058 -3.657 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.720 -4.130 -2.082 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.854 -3.293 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.573 -2.424 -3.957 1.00 0.00 H new ATOM 237 N LEU A 80 -7.694 -1.873 -1.421 1.00 0.00 N ATOM 238 CA LEU A 80 -8.343 -0.757 -0.749 1.00 0.00 C ATOM 239 C LEU A 80 -8.018 0.548 -1.469 1.00 0.00 C ATOM 240 O LEU A 80 -6.853 0.852 -1.725 1.00 0.00 O ATOM 241 CB LEU A 80 -7.895 -0.692 0.719 1.00 0.00 C ATOM 242 CG LEU A 80 -7.973 0.686 1.381 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.418 1.075 1.658 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.162 0.702 2.667 1.00 0.00 C ATOM 0 H LEU A 80 -6.677 -1.878 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.423 -0.906 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.506 -1.386 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.866 -1.046 0.781 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.551 1.419 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.446 2.058 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.973 1.105 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.871 0.341 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.227 1.688 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.557 -0.045 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.120 0.474 2.443 1.00 0.00 H new ATOM 256 N GLY A 81 -9.051 1.318 -1.787 1.00 0.00 N ATOM 257 CA GLY A 81 -8.844 2.580 -2.468 1.00 0.00 C ATOM 258 C GLY A 81 -8.769 3.741 -1.503 1.00 0.00 C ATOM 259 O GLY A 81 -9.430 3.737 -0.464 1.00 0.00 O ATOM 0 H GLY A 81 -10.025 1.092 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.923 2.531 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.657 2.748 -3.174 1.00 0.00 H new ATOM 263 N PHE A 82 -7.961 4.733 -1.841 1.00 0.00 N ATOM 264 CA PHE A 82 -7.799 5.901 -0.991 1.00 0.00 C ATOM 265 C PHE A 82 -7.528 7.143 -1.820 1.00 0.00 C ATOM 266 O PHE A 82 -7.445 7.079 -3.046 1.00 0.00 O ATOM 267 CB PHE A 82 -6.660 5.684 0.005 1.00 0.00 C ATOM 268 CG PHE A 82 -5.476 4.962 -0.575 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.548 3.614 -0.882 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.290 5.635 -0.815 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.458 2.951 -1.417 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.196 4.977 -1.349 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.282 3.633 -1.650 1.00 0.00 C ATOM 0 H PHE A 82 -7.407 4.753 -2.698 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.729 6.047 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.333 6.652 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.037 5.118 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.466 3.074 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.218 6.687 -0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.528 1.899 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.277 5.514 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.430 3.116 -2.067 1.00 0.00 H new ATOM 283 N GLU A 83 -7.394 8.271 -1.142 1.00 0.00 N ATOM 284 CA GLU A 83 -7.137 9.532 -1.814 1.00 0.00 C ATOM 285 C GLU A 83 -5.724 10.025 -1.527 1.00 0.00 C ATOM 286 O GLU A 83 -5.010 9.453 -0.704 1.00 0.00 O ATOM 287 CB GLU A 83 -8.158 10.570 -1.355 1.00 0.00 C ATOM 288 CG GLU A 83 -9.225 10.867 -2.391 1.00 0.00 C ATOM 289 CD GLU A 83 -9.472 12.353 -2.568 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.321 12.906 -1.837 1.00 0.00 O ATOM 291 OE2 GLU A 83 -8.816 12.964 -3.437 1.00 0.00 O ATOM 0 H GLU A 83 -7.459 8.338 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.229 9.380 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.637 10.218 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.638 11.495 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.927 10.436 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.155 10.381 -2.098 1.00 0.00 H new ATOM 298 N LYS A 84 -5.330 11.099 -2.198 1.00 0.00 N ATOM 299 CA LYS A 84 -4.011 11.676 -1.990 1.00 0.00 C ATOM 300 C LYS A 84 -3.981 12.369 -0.631 1.00 0.00 C ATOM 301 O LYS A 84 -4.870 13.154 -0.304 1.00 0.00 O ATOM 302 CB LYS A 84 -3.673 12.646 -3.125 1.00 0.00 C ATOM 303 CG LYS A 84 -2.606 13.673 -2.775 1.00 0.00 C ATOM 304 CD LYS A 84 -2.743 14.928 -3.621 1.00 0.00 C ATOM 305 CE LYS A 84 -2.084 14.761 -4.981 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.131 15.866 -5.275 1.00 0.00 N ATOM 0 H LYS A 84 -5.903 11.586 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.255 10.891 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.339 12.073 -3.990 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.581 13.170 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.683 13.934 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.618 13.238 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.799 15.164 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.291 15.771 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.556 13.808 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.851 14.728 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.703 15.715 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.639 16.773 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.384 15.882 -4.551 1.00 0.00 H new ATOM 320 N GLY A 85 -2.977 12.040 0.172 1.00 0.00 N ATOM 321 CA GLY A 85 -2.881 12.607 1.506 1.00 0.00 C ATOM 322 C GLY A 85 -3.699 11.810 2.503 1.00 0.00 C ATOM 323 O GLY A 85 -3.544 11.968 3.713 1.00 0.00 O ATOM 0 H GLY A 85 -2.229 11.392 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.838 12.626 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.228 13.640 1.490 1.00 0.00 H new ATOM 327 N GLU A 86 -4.563 10.931 1.988 1.00 0.00 N ATOM 328 CA GLU A 86 -5.394 10.085 2.828 1.00 0.00 C ATOM 329 C GLU A 86 -4.522 9.284 3.773 1.00 0.00 C ATOM 330 O GLU A 86 -3.311 9.193 3.583 1.00 0.00 O ATOM 331 CB GLU A 86 -6.214 9.129 1.956 1.00 0.00 C ATOM 332 CG GLU A 86 -7.633 8.845 2.434 1.00 0.00 C ATOM 333 CD GLU A 86 -8.057 9.648 3.652 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.308 10.863 3.503 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.137 9.063 4.751 1.00 0.00 O ATOM 0 H GLU A 86 -4.701 10.791 0.987 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.070 10.715 3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.266 9.541 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.678 8.182 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.326 9.051 1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.720 7.783 2.665 1.00 0.00 H new ATOM 342 N GLN A 87 -5.136 8.699 4.783 1.00 0.00 N ATOM 343 CA GLN A 87 -4.397 7.905 5.748 1.00 0.00 C ATOM 344 C GLN A 87 -4.967 6.505 5.861 1.00 0.00 C ATOM 345 O GLN A 87 -6.171 6.286 5.728 1.00 0.00 O ATOM 346 CB GLN A 87 -4.391 8.577 7.117 1.00 0.00 C ATOM 347 CG GLN A 87 -4.122 10.068 7.054 1.00 0.00 C ATOM 348 CD GLN A 87 -4.953 10.856 8.048 1.00 0.00 C ATOM 349 OE1 GLN A 87 -6.016 11.376 7.711 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.471 10.947 9.282 1.00 0.00 N ATOM 0 H GLN A 87 -6.139 8.757 4.957 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.370 7.830 5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.353 8.409 7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.633 8.105 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.065 10.250 7.246 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.330 10.428 6.047 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.585 10.500 9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.987 11.464 9.994 1.00 0.00 H new ATOM 359 N LEU A 88 -4.076 5.566 6.112 1.00 0.00 N ATOM 360 CA LEU A 88 -4.440 4.166 6.259 1.00 0.00 C ATOM 361 C LEU A 88 -3.536 3.501 7.270 1.00 0.00 C ATOM 362 O LEU A 88 -2.311 3.569 7.165 1.00 0.00 O ATOM 363 CB LEU A 88 -4.326 3.412 4.934 1.00 0.00 C ATOM 364 CG LEU A 88 -4.543 4.239 3.671 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.466 3.921 2.647 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.924 3.966 3.100 1.00 0.00 C ATOM 0 H LEU A 88 -3.079 5.750 6.220 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.477 4.133 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.336 2.958 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.050 2.597 4.939 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.477 5.297 3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.630 4.517 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.487 4.156 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.507 2.862 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.069 4.561 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.014 2.908 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.682 4.233 3.837 1.00 0.00 H new ATOM 378 N ARG A 89 -4.140 2.842 8.233 1.00 0.00 N ATOM 379 CA ARG A 89 -3.389 2.150 9.245 1.00 0.00 C ATOM 380 C ARG A 89 -2.913 0.818 8.683 1.00 0.00 C ATOM 381 O ARG A 89 -3.691 -0.123 8.531 1.00 0.00 O ATOM 382 CB ARG A 89 -4.247 1.954 10.483 1.00 0.00 C ATOM 383 CG ARG A 89 -3.652 0.972 11.454 1.00 0.00 C ATOM 384 CD ARG A 89 -4.457 0.910 12.734 1.00 0.00 C ATOM 385 NE ARG A 89 -3.683 0.344 13.835 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.223 -0.268 14.887 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.541 -0.384 14.996 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.441 -0.760 15.838 1.00 0.00 N ATOM 0 H ARG A 89 -5.153 2.773 8.333 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.518 2.738 9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.383 2.914 10.981 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.236 1.608 10.183 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.614 -0.017 10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.625 1.258 11.681 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.791 1.912 13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.352 0.309 12.572 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.667 0.422 13.796 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.148 -0.003 14.271 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.946 -0.854 15.805 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.428 -0.669 15.763 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.853 -1.229 16.645 1.00 0.00 H new ATOM 402 N ILE A 90 -1.637 0.768 8.347 1.00 0.00 N ATOM 403 CA ILE A 90 -1.043 -0.421 7.761 1.00 0.00 C ATOM 404 C ILE A 90 -1.180 -1.636 8.663 1.00 0.00 C ATOM 405 O ILE A 90 -0.563 -1.720 9.725 1.00 0.00 O ATOM 406 CB ILE A 90 0.445 -0.198 7.417 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.616 1.090 6.615 1.00 0.00 C ATOM 408 CG2 ILE A 90 0.997 -1.375 6.633 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.052 1.056 5.256 1.00 0.00 C ATOM 0 H ILE A 90 -0.987 1.544 8.471 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.595 -0.615 6.842 1.00 0.00 H new ATOM 0 HB ILE A 90 1.002 -0.111 8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.208 1.922 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.680 1.286 6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.047 -1.197 6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.906 -2.284 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.435 -1.490 5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.113 2.005 4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.372 0.246 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.122 0.892 5.381 1.00 0.00 H new ATOM 421 N LEU A 91 -1.981 -2.584 8.201 1.00 0.00 N ATOM 422 CA LEU A 91 -2.207 -3.827 8.916 1.00 0.00 C ATOM 423 C LEU A 91 -1.028 -4.749 8.665 1.00 0.00 C ATOM 424 O LEU A 91 -0.452 -5.325 9.587 1.00 0.00 O ATOM 425 CB LEU A 91 -3.502 -4.463 8.417 1.00 0.00 C ATOM 426 CG LEU A 91 -4.673 -3.485 8.292 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.910 -4.168 7.735 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.975 -2.835 9.635 1.00 0.00 C ATOM 0 H LEU A 91 -2.491 -2.512 7.321 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.299 -3.644 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.318 -4.919 7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.785 -5.266 9.097 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.381 -2.705 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.722 -3.445 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.689 -4.570 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.208 -4.980 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.810 -2.143 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.235 -3.605 10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.097 -2.291 9.981 1.00 0.00 H new ATOM 440 N GLU A 92 -0.661 -4.838 7.397 1.00 0.00 N ATOM 441 CA GLU A 92 0.472 -5.637 6.969 1.00 0.00 C ATOM 442 C GLU A 92 1.183 -4.936 5.823 1.00 0.00 C ATOM 443 O GLU A 92 0.568 -4.173 5.080 1.00 0.00 O ATOM 444 CB GLU A 92 0.034 -7.040 6.562 1.00 0.00 C ATOM 445 CG GLU A 92 0.601 -8.112 7.472 1.00 0.00 C ATOM 446 CD GLU A 92 -0.474 -8.871 8.225 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.460 -9.294 7.587 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.328 -9.041 9.455 1.00 0.00 O ATOM 0 H GLU A 92 -1.141 -4.358 6.636 1.00 0.00 H new ATOM 0 HA GLU A 92 1.163 -5.743 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.055 -7.095 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.351 -7.233 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.187 -8.814 6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.283 -7.652 8.187 1.00 0.00 H new ATOM 455 N GLN A 93 2.482 -5.163 5.697 1.00 0.00 N ATOM 456 CA GLN A 93 3.255 -4.508 4.653 1.00 0.00 C ATOM 457 C GLN A 93 4.200 -5.474 3.953 1.00 0.00 C ATOM 458 O GLN A 93 5.317 -5.110 3.588 1.00 0.00 O ATOM 459 CB GLN A 93 4.036 -3.342 5.247 1.00 0.00 C ATOM 460 CG GLN A 93 4.361 -3.542 6.701 1.00 0.00 C ATOM 461 CD GLN A 93 5.086 -2.361 7.317 1.00 0.00 C ATOM 462 OE1 GLN A 93 6.265 -2.134 7.049 1.00 0.00 O ATOM 463 NE2 GLN A 93 4.383 -1.603 8.150 1.00 0.00 N ATOM 0 H GLN A 93 3.018 -5.789 6.298 1.00 0.00 H new ATOM 0 HA GLN A 93 2.557 -4.137 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.962 -3.207 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.457 -2.426 5.131 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.438 -3.721 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.976 -4.435 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.407 -1.828 8.344 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.819 -0.796 8.596 1.00 0.00 H new ATOM 472 N SER A 94 3.741 -6.701 3.755 1.00 0.00 N ATOM 473 CA SER A 94 4.543 -7.706 3.082 1.00 0.00 C ATOM 474 C SER A 94 4.359 -7.607 1.575 1.00 0.00 C ATOM 475 O SER A 94 3.234 -7.544 1.077 1.00 0.00 O ATOM 476 CB SER A 94 4.171 -9.103 3.578 1.00 0.00 C ATOM 477 OG SER A 94 3.907 -9.989 2.502 1.00 0.00 O ATOM 0 H SER A 94 2.819 -7.022 4.051 1.00 0.00 H new ATOM 0 HA SER A 94 5.593 -7.527 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.983 -9.501 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.293 -9.039 4.221 1.00 0.00 H new ATOM 0 HG SER A 94 3.674 -10.873 2.856 1.00 0.00 H new ATOM 483 N GLY A 95 5.469 -7.592 0.853 1.00 0.00 N ATOM 484 CA GLY A 95 5.406 -7.498 -0.593 1.00 0.00 C ATOM 485 C GLY A 95 5.062 -6.115 -1.082 1.00 0.00 C ATOM 486 O GLY A 95 4.606 -5.262 -0.320 1.00 0.00 O ATOM 0 H GLY A 95 6.411 -7.643 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.367 -7.796 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.663 -8.203 -0.965 1.00 0.00 H new ATOM 490 N GLU A 96 5.281 -5.904 -2.372 1.00 0.00 N ATOM 491 CA GLU A 96 5.002 -4.633 -3.017 1.00 0.00 C ATOM 492 C GLU A 96 3.609 -4.108 -2.650 1.00 0.00 C ATOM 493 O GLU A 96 3.340 -2.914 -2.768 1.00 0.00 O ATOM 494 CB GLU A 96 5.138 -4.802 -4.525 1.00 0.00 C ATOM 495 CG GLU A 96 4.119 -4.017 -5.293 1.00 0.00 C ATOM 496 CD GLU A 96 4.345 -4.050 -6.793 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.714 -5.123 -7.314 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.154 -3.002 -7.444 1.00 0.00 O ATOM 0 H GLU A 96 5.658 -6.613 -3.001 1.00 0.00 H new ATOM 0 HA GLU A 96 5.722 -3.894 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.136 -4.490 -4.832 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.042 -5.858 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.126 -4.409 -5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.135 -2.982 -4.952 1.00 0.00 H new ATOM 505 N TRP A 97 2.723 -4.998 -2.216 1.00 0.00 N ATOM 506 CA TRP A 97 1.372 -4.604 -1.843 1.00 0.00 C ATOM 507 C TRP A 97 1.177 -4.705 -0.331 1.00 0.00 C ATOM 508 O TRP A 97 1.347 -5.772 0.256 1.00 0.00 O ATOM 509 CB TRP A 97 0.356 -5.477 -2.573 1.00 0.00 C ATOM 510 CG TRP A 97 0.202 -5.104 -4.015 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.949 -5.558 -5.064 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.749 -4.188 -4.567 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.523 -4.975 -6.234 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.520 -4.130 -5.953 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.773 -3.410 -4.020 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.275 -3.323 -6.800 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.521 -2.611 -4.860 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.270 -2.571 -6.236 1.00 0.00 C ATOM 0 H TRP A 97 2.917 -5.994 -2.114 1.00 0.00 H new ATOM 0 HA TRP A 97 1.218 -3.565 -2.134 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.663 -6.520 -2.503 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.611 -5.395 -2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.757 -6.271 -4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.918 -5.143 -7.159 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.975 -3.434 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.083 -3.292 -7.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.315 -2.005 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.873 -1.934 -6.866 1.00 0.00 H new ATOM 529 N TRP A 98 0.835 -3.580 0.294 1.00 0.00 N ATOM 530 CA TRP A 98 0.636 -3.537 1.738 1.00 0.00 C ATOM 531 C TRP A 98 -0.838 -3.510 2.115 1.00 0.00 C ATOM 532 O TRP A 98 -1.653 -2.872 1.449 1.00 0.00 O ATOM 533 CB TRP A 98 1.318 -2.308 2.328 1.00 0.00 C ATOM 534 CG TRP A 98 2.812 -2.381 2.292 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.574 -3.372 1.749 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.720 -1.424 2.833 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.909 -3.089 1.923 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.023 -1.893 2.585 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.551 -0.215 3.502 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.154 -1.186 2.987 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.671 0.488 3.902 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.960 0.001 3.642 1.00 0.00 C ATOM 0 H TRP A 98 0.690 -2.687 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 98 1.077 -4.447 2.145 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.992 -1.423 1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.993 -2.182 3.361 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.187 -4.251 1.255 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.686 -3.672 1.611 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.561 0.167 3.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.148 -1.560 2.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.552 1.427 4.423 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.817 0.573 3.965 1.00 0.00 H new ATOM 553 N LYS A 99 -1.162 -4.180 3.213 1.00 0.00 N ATOM 554 CA LYS A 99 -2.522 -4.211 3.721 1.00 0.00 C ATOM 555 C LYS A 99 -2.730 -3.040 4.670 1.00 0.00 C ATOM 556 O LYS A 99 -2.099 -2.975 5.723 1.00 0.00 O ATOM 557 CB LYS A 99 -2.792 -5.529 4.454 1.00 0.00 C ATOM 558 CG LYS A 99 -4.167 -5.608 5.099 1.00 0.00 C ATOM 559 CD LYS A 99 -5.214 -4.919 4.257 1.00 0.00 C ATOM 560 CE LYS A 99 -6.615 -5.381 4.620 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.294 -6.060 3.481 1.00 0.00 N ATOM 0 H LYS A 99 -0.494 -4.712 3.771 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.216 -4.134 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.685 -6.353 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.033 -5.667 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.443 -6.653 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.133 -5.149 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.139 -3.840 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.025 -5.121 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.563 -6.063 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.209 -4.523 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.269 -5.708 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.778 -5.860 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.309 -7.086 3.648 1.00 0.00 H new ATOM 575 N ALA A 100 -3.598 -2.110 4.295 1.00 0.00 N ATOM 576 CA ALA A 100 -3.850 -0.945 5.132 1.00 0.00 C ATOM 577 C ALA A 100 -5.305 -0.844 5.533 1.00 0.00 C ATOM 578 O ALA A 100 -6.203 -1.141 4.745 1.00 0.00 O ATOM 579 CB ALA A 100 -3.432 0.332 4.416 1.00 0.00 C ATOM 0 H ALA A 100 -4.134 -2.138 3.427 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.254 -1.067 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.629 1.190 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.368 0.288 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.000 0.433 3.491 1.00 0.00 H new ATOM 585 N GLN A 101 -5.533 -0.379 6.751 1.00 0.00 N ATOM 586 CA GLN A 101 -6.879 -0.187 7.238 1.00 0.00 C ATOM 587 C GLN A 101 -7.147 1.299 7.309 1.00 0.00 C ATOM 588 O GLN A 101 -6.569 2.008 8.132 1.00 0.00 O ATOM 589 CB GLN A 101 -7.081 -0.830 8.610 1.00 0.00 C ATOM 590 CG GLN A 101 -8.414 -0.488 9.237 1.00 0.00 C ATOM 591 CD GLN A 101 -8.464 -0.792 10.720 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.936 -1.851 11.133 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.978 0.142 11.530 1.00 0.00 N ATOM 0 H GLN A 101 -4.801 -0.129 7.416 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.579 -0.670 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.000 -1.913 8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.280 -0.509 9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.622 0.571 9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.202 -1.046 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.596 1.005 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.986 -0.004 12.539 1.00 0.00 H new ATOM 602 N SER A 102 -8.020 1.770 6.441 1.00 0.00 N ATOM 603 CA SER A 102 -8.359 3.171 6.396 1.00 0.00 C ATOM 604 C SER A 102 -8.702 3.670 7.793 1.00 0.00 C ATOM 605 O SER A 102 -8.870 2.875 8.718 1.00 0.00 O ATOM 606 CB SER A 102 -9.521 3.367 5.437 1.00 0.00 C ATOM 607 OG SER A 102 -9.113 4.056 4.267 1.00 0.00 O ATOM 0 H SER A 102 -8.508 1.195 5.754 1.00 0.00 H new ATOM 0 HA SER A 102 -7.508 3.751 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.937 2.397 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.314 3.926 5.933 1.00 0.00 H new ATOM 0 HG SER A 102 -9.881 4.166 3.668 1.00 0.00 H new ATOM 613 N LEU A 103 -8.774 4.977 7.958 1.00 0.00 N ATOM 614 CA LEU A 103 -9.074 5.544 9.266 1.00 0.00 C ATOM 615 C LEU A 103 -10.265 6.485 9.221 1.00 0.00 C ATOM 616 O LEU A 103 -10.943 6.690 10.227 1.00 0.00 O ATOM 617 CB LEU A 103 -7.841 6.236 9.815 1.00 0.00 C ATOM 618 CG LEU A 103 -6.768 5.260 10.296 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.720 5.070 9.220 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.130 5.719 11.598 1.00 0.00 C ATOM 0 H LEU A 103 -8.632 5.662 7.215 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.352 4.730 9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.419 6.879 9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.133 6.882 10.643 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.249 4.302 10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.960 4.373 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.190 4.671 8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.255 6.029 8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.373 4.998 11.906 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.665 6.694 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.895 5.795 12.371 1.00 0.00 H new ATOM 632 N THR A 104 -10.537 7.032 8.048 1.00 0.00 N ATOM 633 CA THR A 104 -11.668 7.917 7.875 1.00 0.00 C ATOM 634 C THR A 104 -12.920 7.081 7.664 1.00 0.00 C ATOM 635 O THR A 104 -13.996 7.379 8.183 1.00 0.00 O ATOM 636 CB THR A 104 -11.431 8.823 6.676 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.066 9.196 6.588 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.246 10.079 6.734 1.00 0.00 C ATOM 0 H THR A 104 -9.987 6.876 7.203 1.00 0.00 H new ATOM 0 HA THR A 104 -11.793 8.539 8.761 1.00 0.00 H new ATOM 0 HB THR A 104 -11.732 8.245 5.802 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.722 8.971 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.038 10.689 5.855 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.306 9.824 6.757 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.988 10.639 7.633 1.00 0.00 H new ATOM 646 N THR A 105 -12.738 6.022 6.895 1.00 0.00 N ATOM 647 CA THR A 105 -13.789 5.074 6.568 1.00 0.00 C ATOM 648 C THR A 105 -13.515 3.752 7.268 1.00 0.00 C ATOM 649 O THR A 105 -14.419 3.041 7.708 1.00 0.00 O ATOM 650 CB THR A 105 -13.792 4.851 5.064 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.971 3.750 4.713 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.303 6.046 4.278 1.00 0.00 C ATOM 0 H THR A 105 -11.839 5.792 6.472 1.00 0.00 H new ATOM 0 HA THR A 105 -14.754 5.463 6.893 1.00 0.00 H new ATOM 0 HB THR A 105 -14.835 4.666 4.808 1.00 0.00 H new ATOM 0 HG1 THR A 105 -13.052 3.575 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.332 5.817 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.945 6.903 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.280 6.280 4.571 1.00 0.00 H new ATOM 660 N GLY A 106 -12.232 3.457 7.339 1.00 0.00 N ATOM 661 CA GLY A 106 -11.730 2.256 7.947 1.00 0.00 C ATOM 662 C GLY A 106 -11.777 1.058 7.028 1.00 0.00 C ATOM 663 O GLY A 106 -11.354 -0.034 7.405 1.00 0.00 O ATOM 0 H GLY A 106 -11.501 4.062 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.701 2.421 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.311 2.041 8.844 1.00 0.00 H new ATOM 667 N GLN A 107 -12.276 1.255 5.812 1.00 0.00 N ATOM 668 CA GLN A 107 -12.350 0.188 4.847 1.00 0.00 C ATOM 669 C GLN A 107 -11.011 -0.511 4.703 1.00 0.00 C ATOM 670 O GLN A 107 -9.992 0.115 4.411 1.00 0.00 O ATOM 671 CB GLN A 107 -12.820 0.748 3.527 1.00 0.00 C ATOM 672 CG GLN A 107 -14.323 0.809 3.454 1.00 0.00 C ATOM 673 CD GLN A 107 -14.872 2.205 3.667 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.563 3.108 2.745 1.00 0.00 O flip ATOM 675 NE2 GLN A 107 -15.566 2.468 4.649 1.00 0.00 N flip ATOM 0 H GLN A 107 -12.634 2.151 5.480 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.065 -0.560 5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.408 1.747 3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.440 0.130 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.649 0.441 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.745 0.141 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.778 1.742 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.929 3.412 4.779 1.00 0.00 H new ATOM 684 N GLU A 108 -11.024 -1.811 4.935 1.00 0.00 N ATOM 685 CA GLU A 108 -9.809 -2.610 4.859 1.00 0.00 C ATOM 686 C GLU A 108 -9.574 -3.139 3.452 1.00 0.00 C ATOM 687 O GLU A 108 -10.518 -3.442 2.721 1.00 0.00 O ATOM 688 CB GLU A 108 -9.875 -3.767 5.853 1.00 0.00 C ATOM 689 CG GLU A 108 -9.971 -3.318 7.299 1.00 0.00 C ATOM 690 CD GLU A 108 -11.136 -3.952 8.034 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.601 -5.025 7.596 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.583 -3.375 9.048 1.00 0.00 O ATOM 0 H GLU A 108 -11.862 -2.339 5.178 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.970 -1.964 5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.737 -4.390 5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.989 -4.390 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.043 -3.567 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.073 -2.233 7.332 1.00 0.00 H new ATOM 699 N GLY A 109 -8.304 -3.250 3.082 1.00 0.00 N ATOM 700 CA GLY A 109 -7.950 -3.745 1.767 1.00 0.00 C ATOM 701 C GLY A 109 -6.465 -3.625 1.491 1.00 0.00 C ATOM 702 O GLY A 109 -5.712 -3.110 2.316 1.00 0.00 O ATOM 0 H GLY A 109 -7.510 -3.004 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.251 -4.789 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.504 -3.190 1.010 1.00 0.00 H new ATOM 706 N PHE A 110 -6.045 -4.103 0.328 1.00 0.00 N ATOM 707 CA PHE A 110 -4.649 -4.057 -0.063 1.00 0.00 C ATOM 708 C PHE A 110 -4.336 -2.760 -0.797 1.00 0.00 C ATOM 709 O PHE A 110 -5.155 -2.260 -1.566 1.00 0.00 O ATOM 710 CB PHE A 110 -4.329 -5.257 -0.947 1.00 0.00 C ATOM 711 CG PHE A 110 -3.726 -6.410 -0.196 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.342 -6.909 0.941 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.546 -6.995 -0.627 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.790 -7.970 1.635 1.00 0.00 C ATOM 715 CE2 PHE A 110 -1.991 -8.056 0.062 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.614 -8.544 1.195 1.00 0.00 C ATOM 0 H PHE A 110 -6.660 -4.530 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.030 -4.094 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.243 -5.591 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.641 -4.946 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.263 -6.464 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.055 -6.617 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.278 -8.349 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.071 -8.504 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.182 -9.373 1.735 1.00 0.00 H new ATOM 726 N ILE A 111 -3.152 -2.214 -0.552 1.00 0.00 N ATOM 727 CA ILE A 111 -2.751 -0.968 -1.189 1.00 0.00 C ATOM 728 C ILE A 111 -1.308 -1.017 -1.682 1.00 0.00 C ATOM 729 O ILE A 111 -0.433 -1.609 -1.050 1.00 0.00 O ATOM 730 CB ILE A 111 -2.890 0.226 -0.224 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.986 0.016 0.992 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.340 0.413 0.192 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.507 1.298 1.630 1.00 0.00 C ATOM 0 H ILE A 111 -2.457 -2.612 0.079 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.418 -0.837 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.575 1.136 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.526 -0.569 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.120 -0.573 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.417 1.261 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.951 0.601 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.694 -0.488 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.872 1.064 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.937 1.876 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.365 1.881 1.965 1.00 0.00 H new ATOM 745 N PRO A 112 -1.049 -0.360 -2.816 1.00 0.00 N ATOM 746 CA PRO A 112 0.280 -0.278 -3.407 1.00 0.00 C ATOM 747 C PRO A 112 1.291 0.288 -2.413 1.00 0.00 C ATOM 748 O PRO A 112 1.168 1.432 -1.976 1.00 0.00 O ATOM 749 CB PRO A 112 0.100 0.675 -4.597 1.00 0.00 C ATOM 750 CG PRO A 112 -1.226 1.327 -4.388 1.00 0.00 C ATOM 751 CD PRO A 112 -2.043 0.372 -3.589 1.00 0.00 C ATOM 0 HA PRO A 112 0.664 -1.255 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.900 1.415 -4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.126 0.132 -5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.114 2.276 -3.863 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.706 1.545 -5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.751 0.892 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.624 -0.293 -4.229 1.00 0.00 H new ATOM 759 N PHE A 113 2.278 -0.521 -2.041 1.00 0.00 N ATOM 760 CA PHE A 113 3.290 -0.096 -1.076 1.00 0.00 C ATOM 761 C PHE A 113 4.010 1.180 -1.525 1.00 0.00 C ATOM 762 O PHE A 113 4.614 1.876 -0.708 1.00 0.00 O ATOM 763 CB PHE A 113 4.296 -1.228 -0.826 1.00 0.00 C ATOM 764 CG PHE A 113 5.443 -1.271 -1.802 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.231 -1.065 -3.155 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.734 -1.514 -1.360 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.285 -1.103 -4.050 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.791 -1.553 -2.248 1.00 0.00 C ATOM 769 CZ PHE A 113 7.565 -1.346 -3.595 1.00 0.00 C ATOM 0 H PHE A 113 2.400 -1.471 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 113 2.778 0.135 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.697 -1.125 0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.768 -2.181 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.231 -0.872 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.916 -1.675 -0.308 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.107 -0.943 -5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.792 -1.745 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.390 -1.374 -4.292 1.00 0.00 H new ATOM 779 N ASN A 114 3.944 1.488 -2.818 1.00 0.00 N ATOM 780 CA ASN A 114 4.593 2.682 -3.351 1.00 0.00 C ATOM 781 C ASN A 114 3.580 3.805 -3.554 1.00 0.00 C ATOM 782 O ASN A 114 3.705 4.611 -4.476 1.00 0.00 O ATOM 783 CB ASN A 114 5.285 2.358 -4.675 1.00 0.00 C ATOM 784 CG ASN A 114 4.383 1.600 -5.628 1.00 0.00 C ATOM 785 OD1 ASN A 114 4.381 0.369 -5.653 1.00 0.00 O ATOM 786 ND2 ASN A 114 3.609 2.334 -6.421 1.00 0.00 N ATOM 0 H ASN A 114 3.449 0.929 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 114 5.339 3.016 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.611 3.284 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.180 1.768 -4.479 1.00 0.00 H new ATOM 0 HD21 ASN A 114 2.981 1.879 -7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 114 3.643 3.352 -6.367 1.00 0.00 H new ATOM 793 N PHE A 115 2.568 3.839 -2.695 1.00 0.00 N ATOM 794 CA PHE A 115 1.517 4.848 -2.780 1.00 0.00 C ATOM 795 C PHE A 115 1.421 5.673 -1.500 1.00 0.00 C ATOM 796 O PHE A 115 0.994 6.828 -1.527 1.00 0.00 O ATOM 797 CB PHE A 115 0.175 4.159 -3.021 1.00 0.00 C ATOM 798 CG PHE A 115 -0.633 4.732 -4.149 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.366 5.893 -3.976 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.681 4.091 -5.376 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.131 6.404 -5.005 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.440 4.598 -6.409 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.170 5.755 -6.224 1.00 0.00 C ATOM 0 H PHE A 115 2.452 3.177 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 115 1.763 5.518 -3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.356 3.103 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.415 4.213 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.339 6.405 -3.025 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.117 3.182 -5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.699 7.311 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.464 4.091 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.770 6.152 -7.030 1.00 0.00 H new ATOM 813 N VAL A 116 1.774 5.060 -0.375 1.00 0.00 N ATOM 814 CA VAL A 116 1.677 5.733 0.914 1.00 0.00 C ATOM 815 C VAL A 116 3.031 6.065 1.530 1.00 0.00 C ATOM 816 O VAL A 116 4.027 5.380 1.303 1.00 0.00 O ATOM 817 CB VAL A 116 0.880 4.879 1.915 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.576 4.795 1.493 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.491 3.487 2.052 1.00 0.00 C ATOM 0 H VAL A 116 2.128 4.104 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 116 1.163 6.673 0.714 1.00 0.00 H new ATOM 0 HB VAL A 116 0.927 5.359 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.128 4.188 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.004 5.797 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.643 4.340 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.909 2.903 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.482 2.989 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.518 3.574 2.406 1.00 0.00 H new ATOM 829 N ALA A 117 3.031 7.124 2.336 1.00 0.00 N ATOM 830 CA ALA A 117 4.220 7.583 3.038 1.00 0.00 C ATOM 831 C ALA A 117 3.836 8.026 4.446 1.00 0.00 C ATOM 832 O ALA A 117 2.777 8.619 4.642 1.00 0.00 O ATOM 833 CB ALA A 117 4.884 8.720 2.275 1.00 0.00 C ATOM 0 H ALA A 117 2.201 7.688 2.519 1.00 0.00 H new ATOM 0 HA ALA A 117 4.937 6.765 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.771 9.051 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.171 8.373 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.186 9.552 2.181 1.00 0.00 H new ATOM 839 N LYS A 118 4.684 7.726 5.425 1.00 0.00 N ATOM 840 CA LYS A 118 4.412 8.079 6.821 1.00 0.00 C ATOM 841 C LYS A 118 3.773 9.460 6.948 1.00 0.00 C ATOM 842 O LYS A 118 4.160 10.400 6.254 1.00 0.00 O ATOM 843 CB LYS A 118 5.707 8.037 7.636 1.00 0.00 C ATOM 844 CG LYS A 118 6.336 6.656 7.705 1.00 0.00 C ATOM 845 CD LYS A 118 5.313 5.602 8.087 1.00 0.00 C ATOM 846 CE LYS A 118 5.943 4.224 8.197 1.00 0.00 C ATOM 847 NZ LYS A 118 7.006 4.179 9.240 1.00 0.00 N ATOM 0 H LYS A 118 5.568 7.238 5.280 1.00 0.00 H new ATOM 0 HA LYS A 118 3.705 7.346 7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.424 8.733 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.501 8.385 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.776 6.406 6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.147 6.659 8.433 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.853 5.869 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.517 5.580 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.172 3.490 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.368 3.941 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.232 3.189 9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.859 4.657 8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.670 4.660 10.099 1.00 0.00 H new ATOM 861 N ALA A 119 2.791 9.571 7.843 1.00 0.00 N ATOM 862 CA ALA A 119 2.094 10.839 8.071 1.00 0.00 C ATOM 863 C ALA A 119 3.007 11.850 8.759 1.00 0.00 C ATOM 864 O ALA A 119 2.663 12.405 9.803 1.00 0.00 O ATOM 865 CB ALA A 119 0.829 10.629 8.902 1.00 0.00 C ATOM 0 H ALA A 119 2.460 8.799 8.422 1.00 0.00 H new ATOM 0 HA ALA A 119 1.808 11.235 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.332 11.587 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.157 9.951 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.095 10.199 9.868 1.00 0.00 H new ATOM 871 N ASN A 120 4.174 12.087 8.169 1.00 0.00 N ATOM 872 CA ASN A 120 5.134 13.033 8.726 1.00 0.00 C ATOM 873 C ASN A 120 5.691 13.948 7.639 1.00 0.00 C ATOM 874 O ASN A 120 5.666 13.544 6.457 1.00 0.00 O ATOM 875 CB ASN A 120 6.278 12.285 9.414 1.00 0.00 C ATOM 876 CG ASN A 120 6.898 11.228 8.521 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.015 11.413 7.309 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.298 10.111 9.116 1.00 0.00 N ATOM 879 OXT ASN A 120 6.146 15.060 7.980 1.00 0.00 O ATOM 0 H ASN A 120 4.478 11.637 7.305 1.00 0.00 H new ATOM 0 HA ASN A 120 4.615 13.647 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.045 12.998 9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 120 5.905 11.815 10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.722 9.364 8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.182 10.000 10.123 1.00 0.00 H new