USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 708 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 58 HIS :FLIP no HD1:sc= -0.0513 F(o=-1.3,f=-0.056) USER MOD Set 1.2: A 63 HIS :FLIP no HD1:sc=-0.00455 F(o=-0.77,f=-0.056) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.29 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= -0.538 (180deg=-2.49!) USER MOD Single : A 44 ASN :FLIP amide:sc= 1.06 F(o=-0.45,f=1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= -0.0201 (180deg=-0.213) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 17.104 10.230 2.619 1.00 0.00 N ATOM 84 CA LEU A 9 16.036 10.031 1.646 1.00 0.00 C ATOM 85 C LEU A 9 14.932 11.068 1.830 1.00 0.00 C ATOM 86 O LEU A 9 14.731 11.587 2.927 1.00 0.00 O ATOM 87 CB LEU A 9 15.455 8.622 1.778 1.00 0.00 C ATOM 88 CG LEU A 9 14.269 8.297 0.869 1.00 0.00 C ATOM 89 CD1 LEU A 9 14.746 7.991 -0.542 1.00 0.00 C ATOM 90 CD2 LEU A 9 13.472 7.129 1.430 1.00 0.00 C ATOM 0 HA LEU A 9 16.459 10.151 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 16.249 7.903 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.145 8.474 2.813 1.00 0.00 H new ATOM 0 HG LEU A 9 13.617 9.170 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 9 13.888 7.762 -1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.272 8.857 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.420 7.134 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.632 6.912 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.114 6.251 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.098 7.386 2.421 1.00 0.00 H new ATOM 102 N GLU A 10 14.218 11.363 0.748 1.00 0.00 N ATOM 103 CA GLU A 10 13.134 12.336 0.790 1.00 0.00 C ATOM 104 C GLU A 10 11.820 11.709 0.333 1.00 0.00 C ATOM 105 O GLU A 10 11.804 10.610 -0.222 1.00 0.00 O ATOM 106 CB GLU A 10 13.468 13.543 -0.089 1.00 0.00 C ATOM 107 CG GLU A 10 14.747 14.256 0.315 1.00 0.00 C ATOM 108 CD GLU A 10 14.530 15.252 1.438 1.00 0.00 C ATOM 109 OE1 GLU A 10 13.801 16.243 1.219 1.00 0.00 O ATOM 110 OE2 GLU A 10 15.088 15.041 2.535 1.00 0.00 O ATOM 0 H GLU A 10 14.371 10.942 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 10 13.018 12.667 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.557 13.214 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.640 14.251 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.487 13.519 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.159 14.774 -0.551 1.00 0.00 H new ATOM 117 N VAL A 11 10.719 12.413 0.573 1.00 0.00 N ATOM 118 CA VAL A 11 9.400 11.927 0.187 1.00 0.00 C ATOM 119 C VAL A 11 8.842 12.725 -0.986 1.00 0.00 C ATOM 120 O VAL A 11 8.364 13.847 -0.816 1.00 0.00 O ATOM 121 CB VAL A 11 8.408 12.000 1.363 1.00 0.00 C ATOM 122 CG1 VAL A 11 7.027 11.538 0.925 1.00 0.00 C ATOM 123 CG2 VAL A 11 8.910 11.171 2.535 1.00 0.00 C ATOM 0 H VAL A 11 10.714 13.323 1.034 1.00 0.00 H new ATOM 0 HA VAL A 11 9.521 10.886 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 11 8.332 13.038 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.339 11.596 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.668 12.178 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.083 10.508 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.197 11.234 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.017 10.131 2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.877 11.553 2.863 1.00 0.00 H new ATOM 133 N LEU A 12 8.905 12.138 -2.176 1.00 0.00 N ATOM 134 CA LEU A 12 8.403 12.795 -3.379 1.00 0.00 C ATOM 135 C LEU A 12 6.909 12.544 -3.555 1.00 0.00 C ATOM 136 O LEU A 12 6.200 13.354 -4.151 1.00 0.00 O ATOM 137 CB LEU A 12 9.165 12.298 -4.609 1.00 0.00 C ATOM 138 CG LEU A 12 10.678 12.149 -4.448 1.00 0.00 C ATOM 139 CD1 LEU A 12 11.280 11.466 -5.666 1.00 0.00 C ATOM 140 CD2 LEU A 12 11.325 13.507 -4.221 1.00 0.00 C ATOM 0 H LEU A 12 9.298 11.210 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 12 8.560 13.868 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.754 11.331 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.974 12.986 -5.432 1.00 0.00 H new ATOM 0 HG LEU A 12 10.872 11.525 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.357 11.369 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.838 10.477 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.076 12.062 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.402 13.383 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.122 14.154 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.916 13.959 -3.317 1.00 0.00 H new ATOM 152 N GLN A 13 6.438 11.416 -3.031 1.00 0.00 N ATOM 153 CA GLN A 13 5.029 11.059 -3.128 1.00 0.00 C ATOM 154 C GLN A 13 4.621 10.130 -1.990 1.00 0.00 C ATOM 155 O GLN A 13 5.038 8.972 -1.942 1.00 0.00 O ATOM 156 CB GLN A 13 4.743 10.392 -4.475 1.00 0.00 C ATOM 157 CG GLN A 13 3.260 10.195 -4.754 1.00 0.00 C ATOM 158 CD GLN A 13 2.959 10.046 -6.232 1.00 0.00 C ATOM 159 OE1 GLN A 13 2.631 11.019 -6.912 1.00 0.00 O ATOM 160 NE2 GLN A 13 3.072 8.824 -6.739 1.00 0.00 N ATOM 0 H GLN A 13 7.013 10.735 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 13 4.442 11.974 -3.051 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.177 10.998 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.242 9.423 -4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.909 9.309 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.704 11.044 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.347 8.046 -6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.884 8.663 -7.729 1.00 0.00 H new ATOM 169 N ASP A 14 3.807 10.645 -1.076 1.00 0.00 N ATOM 170 CA ASP A 14 3.343 9.861 0.063 1.00 0.00 C ATOM 171 C ASP A 14 2.034 9.150 -0.264 1.00 0.00 C ATOM 172 O ASP A 14 1.282 9.585 -1.136 1.00 0.00 O ATOM 173 CB ASP A 14 3.158 10.759 1.287 1.00 0.00 C ATOM 174 CG ASP A 14 2.570 12.110 0.931 1.00 0.00 C ATOM 175 OD1 ASP A 14 1.328 12.214 0.857 1.00 0.00 O ATOM 176 OD2 ASP A 14 3.352 13.061 0.723 1.00 0.00 O ATOM 0 H ASP A 14 3.455 11.602 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 14 4.099 9.108 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.506 10.260 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.121 10.903 1.777 1.00 0.00 H new ATOM 181 N ILE A 15 1.768 8.055 0.441 1.00 0.00 N ATOM 182 CA ILE A 15 0.551 7.284 0.225 1.00 0.00 C ATOM 183 C ILE A 15 -0.584 7.792 1.109 1.00 0.00 C ATOM 184 O ILE A 15 -0.355 8.514 2.077 1.00 0.00 O ATOM 185 CB ILE A 15 0.774 5.786 0.506 1.00 0.00 C ATOM 186 CG1 ILE A 15 1.779 5.604 1.644 1.00 0.00 C ATOM 187 CG2 ILE A 15 1.254 5.077 -0.752 1.00 0.00 C ATOM 188 CD1 ILE A 15 1.813 4.197 2.201 1.00 0.00 C ATOM 0 H ILE A 15 2.380 7.682 1.167 1.00 0.00 H new ATOM 0 HA ILE A 15 0.279 7.411 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.174 5.342 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.774 5.868 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.535 6.299 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.407 4.019 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.506 5.183 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.193 5.520 -1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.548 4.141 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.829 3.936 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.087 3.499 1.410 1.00 0.00 H new ATOM 200 N ALA A 16 -1.810 7.406 0.768 1.00 0.00 N ATOM 201 CA ALA A 16 -2.981 7.819 1.531 1.00 0.00 C ATOM 202 C ALA A 16 -3.938 6.651 1.742 1.00 0.00 C ATOM 203 O ALA A 16 -3.701 5.546 1.254 1.00 0.00 O ATOM 204 CB ALA A 16 -3.693 8.966 0.829 1.00 0.00 C ATOM 0 H ALA A 16 -2.017 6.808 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.643 8.161 2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.565 9.263 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.013 9.813 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.011 8.644 -0.163 1.00 0.00 H new ATOM 210 N ASP A 17 -5.018 6.902 2.474 1.00 0.00 N ATOM 211 CA ASP A 17 -6.012 5.870 2.750 1.00 0.00 C ATOM 212 C ASP A 17 -6.697 5.419 1.464 1.00 0.00 C ATOM 213 O ASP A 17 -7.140 6.242 0.661 1.00 0.00 O ATOM 214 CB ASP A 17 -7.053 6.389 3.742 1.00 0.00 C ATOM 215 CG ASP A 17 -6.422 7.059 4.946 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.197 7.302 4.917 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.153 7.343 5.919 1.00 0.00 O ATOM 0 H ASP A 17 -5.228 7.811 2.887 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.500 5.013 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.709 7.098 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.677 5.560 4.077 1.00 0.00 H new ATOM 222 N LEU A 18 -6.781 4.106 1.274 1.00 0.00 N ATOM 223 CA LEU A 18 -7.411 3.545 0.085 1.00 0.00 C ATOM 224 C LEU A 18 -8.723 2.851 0.440 1.00 0.00 C ATOM 225 O LEU A 18 -8.748 1.917 1.241 1.00 0.00 O ATOM 226 CB LEU A 18 -6.467 2.553 -0.597 1.00 0.00 C ATOM 227 CG LEU A 18 -6.622 2.412 -2.112 1.00 0.00 C ATOM 228 CD1 LEU A 18 -5.895 3.537 -2.831 1.00 0.00 C ATOM 229 CD2 LEU A 18 -6.106 1.058 -2.577 1.00 0.00 C ATOM 0 H LEU A 18 -6.421 3.411 1.928 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.627 4.364 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.441 2.853 -0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.614 1.572 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.682 2.478 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.017 3.419 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.311 4.496 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.835 3.504 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.224 0.975 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.051 0.962 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.672 0.265 -2.088 1.00 0.00 H new ATOM 241 N THR A 19 -9.813 3.316 -0.163 1.00 0.00 N ATOM 242 CA THR A 19 -11.129 2.741 0.089 1.00 0.00 C ATOM 243 C THR A 19 -11.511 1.744 -1.000 1.00 0.00 C ATOM 244 O THR A 19 -11.728 2.121 -2.151 1.00 0.00 O ATOM 245 CB THR A 19 -12.213 3.832 0.172 1.00 0.00 C ATOM 246 OG1 THR A 19 -11.654 5.036 0.711 1.00 0.00 O ATOM 247 CG2 THR A 19 -13.375 3.375 1.040 1.00 0.00 C ATOM 0 H THR A 19 -9.810 4.089 -0.829 1.00 0.00 H new ATOM 0 HA THR A 19 -11.070 2.225 1.047 1.00 0.00 H new ATOM 0 HB THR A 19 -12.585 4.022 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.348 5.726 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 19 -14.128 4.162 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.816 2.474 0.613 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.015 3.161 2.046 1.00 0.00 H new ATOM 255 N VAL A 20 -11.591 0.470 -0.628 1.00 0.00 N ATOM 256 CA VAL A 20 -11.949 -0.580 -1.573 1.00 0.00 C ATOM 257 C VAL A 20 -13.110 -1.419 -1.050 1.00 0.00 C ATOM 258 O VAL A 20 -13.458 -1.351 0.129 1.00 0.00 O ATOM 259 CB VAL A 20 -10.753 -1.506 -1.863 1.00 0.00 C ATOM 260 CG1 VAL A 20 -9.849 -0.894 -2.923 1.00 0.00 C ATOM 261 CG2 VAL A 20 -9.976 -1.788 -0.585 1.00 0.00 C ATOM 0 H VAL A 20 -11.413 0.141 0.321 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.249 -0.085 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.133 -2.453 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.009 -1.562 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.414 -0.748 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.475 0.067 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.134 -2.444 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.606 -0.851 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.631 -2.272 0.140 1.00 0.00 H new ATOM 271 N LYS A 21 -13.707 -2.210 -1.934 1.00 0.00 N ATOM 272 CA LYS A 21 -14.829 -3.065 -1.562 1.00 0.00 C ATOM 273 C LYS A 21 -14.460 -4.538 -1.700 1.00 0.00 C ATOM 274 O LYS A 21 -13.417 -4.877 -2.260 1.00 0.00 O ATOM 275 CB LYS A 21 -16.047 -2.749 -2.433 1.00 0.00 C ATOM 276 CG LYS A 21 -16.469 -1.291 -2.384 1.00 0.00 C ATOM 277 CD LYS A 21 -17.773 -1.062 -3.130 1.00 0.00 C ATOM 278 CE LYS A 21 -18.178 0.404 -3.107 1.00 0.00 C ATOM 279 NZ LYS A 21 -18.954 0.784 -4.321 1.00 0.00 N ATOM 0 H LYS A 21 -13.433 -2.277 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.074 -2.867 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.825 -3.020 -3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.883 -3.371 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.583 -0.979 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.686 -0.670 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.666 -1.395 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -18.561 -1.666 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.776 0.602 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.286 1.026 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.211 1.790 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.375 0.619 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.818 0.208 -4.375 1.00 0.00 H new ATOM 293 N ALA A 22 -15.323 -5.410 -1.189 1.00 0.00 N ATOM 294 CA ALA A 22 -15.088 -6.847 -1.258 1.00 0.00 C ATOM 295 C ALA A 22 -14.825 -7.291 -2.693 1.00 0.00 C ATOM 296 O ALA A 22 -15.495 -6.846 -3.624 1.00 0.00 O ATOM 297 CB ALA A 22 -16.274 -7.603 -0.678 1.00 0.00 C ATOM 0 H ALA A 22 -16.191 -5.146 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.201 -7.075 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -16.086 -8.675 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.415 -7.315 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.172 -7.361 -1.246 1.00 0.00 H new ATOM 303 N ALA A 23 -13.844 -8.172 -2.864 1.00 0.00 N ATOM 304 CA ALA A 23 -13.493 -8.676 -4.186 1.00 0.00 C ATOM 305 C ALA A 23 -13.040 -7.546 -5.103 1.00 0.00 C ATOM 306 O ALA A 23 -13.500 -7.435 -6.239 1.00 0.00 O ATOM 307 CB ALA A 23 -14.674 -9.416 -4.799 1.00 0.00 C ATOM 0 H ALA A 23 -13.279 -8.551 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.661 -9.371 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.398 -9.787 -5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.949 -10.255 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.521 -8.736 -4.891 1.00 0.00 H new ATOM 313 N GLU A 24 -12.137 -6.709 -4.602 1.00 0.00 N ATOM 314 CA GLU A 24 -11.624 -5.585 -5.378 1.00 0.00 C ATOM 315 C GLU A 24 -10.100 -5.617 -5.437 1.00 0.00 C ATOM 316 O GLU A 24 -9.468 -6.553 -4.947 1.00 0.00 O ATOM 317 CB GLU A 24 -12.095 -4.262 -4.773 1.00 0.00 C ATOM 318 CG GLU A 24 -13.580 -4.000 -4.962 1.00 0.00 C ATOM 319 CD GLU A 24 -13.990 -4.002 -6.422 1.00 0.00 C ATOM 320 OE1 GLU A 24 -13.646 -3.038 -7.137 1.00 0.00 O ATOM 321 OE2 GLU A 24 -14.656 -4.969 -6.849 1.00 0.00 O ATOM 0 H GLU A 24 -11.746 -6.787 -3.663 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.012 -5.669 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.867 -4.258 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.531 -3.445 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.150 -4.759 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.835 -3.038 -4.518 1.00 0.00 H new ATOM 328 N GLN A 25 -9.516 -4.587 -6.041 1.00 0.00 N ATOM 329 CA GLN A 25 -8.066 -4.497 -6.166 1.00 0.00 C ATOM 330 C GLN A 25 -7.546 -3.205 -5.543 1.00 0.00 C ATOM 331 O GLN A 25 -7.913 -2.109 -5.966 1.00 0.00 O ATOM 332 CB GLN A 25 -7.653 -4.570 -7.636 1.00 0.00 C ATOM 333 CG GLN A 25 -6.163 -4.794 -7.841 1.00 0.00 C ATOM 334 CD GLN A 25 -5.744 -4.639 -9.289 1.00 0.00 C ATOM 335 OE1 GLN A 25 -5.733 -5.607 -10.051 1.00 0.00 O ATOM 336 NE2 GLN A 25 -5.394 -3.419 -9.678 1.00 0.00 N ATOM 0 H GLN A 25 -10.024 -3.804 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.628 -5.340 -5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.203 -5.378 -8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.944 -3.644 -8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.605 -4.086 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.899 -5.793 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.418 -2.645 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.101 -3.255 -10.641 1.00 0.00 H new ATOM 345 N ALA A 26 -6.688 -3.342 -4.537 1.00 0.00 N ATOM 346 CA ALA A 26 -6.115 -2.186 -3.859 1.00 0.00 C ATOM 347 C ALA A 26 -4.685 -1.930 -4.322 1.00 0.00 C ATOM 348 O ALA A 26 -3.790 -2.741 -4.082 1.00 0.00 O ATOM 349 CB ALA A 26 -6.156 -2.386 -2.351 1.00 0.00 C ATOM 0 H ALA A 26 -6.375 -4.242 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.713 -1.312 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.725 -1.515 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.190 -2.512 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.583 -3.274 -2.086 1.00 0.00 H new ATOM 355 N VAL A 27 -4.477 -0.798 -4.986 1.00 0.00 N ATOM 356 CA VAL A 27 -3.154 -0.435 -5.482 1.00 0.00 C ATOM 357 C VAL A 27 -2.617 0.798 -4.765 1.00 0.00 C ATOM 358 O VAL A 27 -3.325 1.792 -4.603 1.00 0.00 O ATOM 359 CB VAL A 27 -3.179 -0.164 -6.999 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.818 0.316 -7.477 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.610 -1.411 -7.756 1.00 0.00 C ATOM 0 H VAL A 27 -5.207 -0.116 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.497 -1.282 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.906 0.623 -7.198 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.854 0.502 -8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.554 1.237 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.069 -0.447 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.622 -1.201 -8.826 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.909 -2.221 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.608 -1.706 -7.433 1.00 0.00 H new ATOM 371 N PHE A 28 -1.362 0.727 -4.337 1.00 0.00 N ATOM 372 CA PHE A 28 -0.729 1.838 -3.636 1.00 0.00 C ATOM 373 C PHE A 28 0.532 2.294 -4.364 1.00 0.00 C ATOM 374 O PHE A 28 1.431 1.498 -4.631 1.00 0.00 O ATOM 375 CB PHE A 28 -0.383 1.432 -2.201 1.00 0.00 C ATOM 376 CG PHE A 28 -1.584 1.298 -1.309 1.00 0.00 C ATOM 377 CD1 PHE A 28 -2.103 2.402 -0.653 1.00 0.00 C ATOM 378 CD2 PHE A 28 -2.195 0.068 -1.128 1.00 0.00 C ATOM 379 CE1 PHE A 28 -3.208 2.280 0.168 1.00 0.00 C ATOM 380 CE2 PHE A 28 -3.300 -0.060 -0.309 1.00 0.00 C ATOM 381 CZ PHE A 28 -3.808 1.048 0.339 1.00 0.00 C ATOM 0 H PHE A 28 -0.762 -0.088 -4.463 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.434 2.669 -3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.153 0.483 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.294 2.173 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.639 3.368 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.802 -0.802 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.602 3.148 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.766 -1.025 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.673 0.952 0.978 1.00 0.00 H new ATOM 391 N LYS A 29 0.587 3.582 -4.686 1.00 0.00 N ATOM 392 CA LYS A 29 1.735 4.148 -5.384 1.00 0.00 C ATOM 393 C LYS A 29 2.485 5.132 -4.492 1.00 0.00 C ATOM 394 O LYS A 29 1.881 5.823 -3.669 1.00 0.00 O ATOM 395 CB LYS A 29 1.285 4.849 -6.667 1.00 0.00 C ATOM 396 CG LYS A 29 2.433 5.382 -7.507 1.00 0.00 C ATOM 397 CD LYS A 29 2.929 4.342 -8.497 1.00 0.00 C ATOM 398 CE LYS A 29 1.951 4.155 -9.646 1.00 0.00 C ATOM 399 NZ LYS A 29 2.437 3.149 -10.631 1.00 0.00 N ATOM 0 H LYS A 29 -0.151 4.254 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 29 2.409 3.331 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.702 4.150 -7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.623 5.675 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.108 6.272 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.252 5.685 -6.855 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.899 4.646 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.076 3.391 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.985 3.840 -9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.795 5.109 -10.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.742 3.051 -11.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.347 3.461 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.562 2.232 -10.157 1.00 0.00 H new ATOM 413 N CYS A 30 3.801 5.193 -4.659 1.00 0.00 N ATOM 414 CA CYS A 30 4.632 6.093 -3.869 1.00 0.00 C ATOM 415 C CYS A 30 5.871 6.516 -4.650 1.00 0.00 C ATOM 416 O CYS A 30 6.216 5.906 -5.662 1.00 0.00 O ATOM 417 CB CYS A 30 5.046 5.421 -2.558 1.00 0.00 C ATOM 418 SG CYS A 30 6.374 4.208 -2.738 1.00 0.00 S ATOM 0 H CYS A 30 4.316 4.629 -5.335 1.00 0.00 H new ATOM 0 HA CYS A 30 4.045 6.984 -3.643 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.363 6.189 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.176 4.929 -2.124 1.00 0.00 H new ATOM 0 HG CYS A 30 6.655 3.697 -1.576 1.00 0.00 H new ATOM 424 N GLU A 31 6.536 7.565 -4.175 1.00 0.00 N ATOM 425 CA GLU A 31 7.735 8.071 -4.831 1.00 0.00 C ATOM 426 C GLU A 31 8.780 8.496 -3.804 1.00 0.00 C ATOM 427 O GLU A 31 8.455 9.116 -2.791 1.00 0.00 O ATOM 428 CB GLU A 31 7.387 9.253 -5.740 1.00 0.00 C ATOM 429 CG GLU A 31 8.500 9.628 -6.704 1.00 0.00 C ATOM 430 CD GLU A 31 8.254 10.959 -7.387 1.00 0.00 C ATOM 431 OE1 GLU A 31 7.328 11.681 -6.967 1.00 0.00 O ATOM 432 OE2 GLU A 31 8.991 11.278 -8.345 1.00 0.00 O ATOM 0 H GLU A 31 6.264 8.081 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 31 8.152 7.267 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.490 9.010 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.147 10.118 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.445 9.670 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.600 8.849 -7.460 1.00 0.00 H new ATOM 439 N VAL A 32 10.037 8.157 -4.072 1.00 0.00 N ATOM 440 CA VAL A 32 11.131 8.504 -3.172 1.00 0.00 C ATOM 441 C VAL A 32 12.333 9.033 -3.945 1.00 0.00 C ATOM 442 O VAL A 32 12.572 8.638 -5.086 1.00 0.00 O ATOM 443 CB VAL A 32 11.570 7.290 -2.330 1.00 0.00 C ATOM 444 CG1 VAL A 32 10.463 6.874 -1.374 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.970 6.133 -3.233 1.00 0.00 C ATOM 0 H VAL A 32 10.323 7.642 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 32 10.759 9.284 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 32 12.439 7.576 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.792 6.016 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.230 7.702 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.573 6.606 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.277 5.284 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.121 5.845 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.799 6.439 -3.871 1.00 0.00 H new ATOM 455 N SER A 33 13.085 9.931 -3.317 1.00 0.00 N ATOM 456 CA SER A 33 14.261 10.518 -3.948 1.00 0.00 C ATOM 457 C SER A 33 15.127 9.441 -4.593 1.00 0.00 C ATOM 458 O SER A 33 15.571 9.586 -5.732 1.00 0.00 O ATOM 459 CB SER A 33 15.082 11.298 -2.919 1.00 0.00 C ATOM 460 OG SER A 33 16.420 11.466 -3.354 1.00 0.00 O ATOM 0 H SER A 33 12.901 10.268 -2.372 1.00 0.00 H new ATOM 0 HA SER A 33 13.921 11.201 -4.726 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.626 12.274 -2.750 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.070 10.771 -1.965 1.00 0.00 H new ATOM 0 HG SER A 33 16.923 11.969 -2.679 1.00 0.00 H new ATOM 466 N ASP A 34 15.362 8.360 -3.858 1.00 0.00 N ATOM 467 CA ASP A 34 16.174 7.256 -4.357 1.00 0.00 C ATOM 468 C ASP A 34 15.364 6.369 -5.297 1.00 0.00 C ATOM 469 O ASP A 34 14.133 6.388 -5.277 1.00 0.00 O ATOM 470 CB ASP A 34 16.716 6.427 -3.193 1.00 0.00 C ATOM 471 CG ASP A 34 17.972 7.024 -2.590 1.00 0.00 C ATOM 472 OD1 ASP A 34 17.879 8.116 -1.990 1.00 0.00 O ATOM 473 OD2 ASP A 34 19.047 6.403 -2.719 1.00 0.00 O ATOM 0 H ASP A 34 15.001 8.224 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 34 17.012 7.675 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.950 6.345 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.929 5.416 -3.540 1.00 0.00 H new ATOM 478 N GLU A 35 16.063 5.593 -6.120 1.00 0.00 N ATOM 479 CA GLU A 35 15.408 4.700 -7.068 1.00 0.00 C ATOM 480 C GLU A 35 15.707 3.241 -6.738 1.00 0.00 C ATOM 481 O GLU A 35 14.891 2.354 -6.992 1.00 0.00 O ATOM 482 CB GLU A 35 15.862 5.014 -8.496 1.00 0.00 C ATOM 483 CG GLU A 35 17.270 4.534 -8.805 1.00 0.00 C ATOM 484 CD GLU A 35 18.331 5.545 -8.411 1.00 0.00 C ATOM 485 OE1 GLU A 35 18.098 6.755 -8.609 1.00 0.00 O ATOM 486 OE2 GLU A 35 19.392 5.124 -7.906 1.00 0.00 O ATOM 0 H GLU A 35 17.082 5.565 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 35 14.332 4.859 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.168 4.554 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.811 6.091 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.454 3.597 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.352 4.323 -9.871 1.00 0.00 H new ATOM 493 N LYS A 36 16.883 2.998 -6.169 1.00 0.00 N ATOM 494 CA LYS A 36 17.292 1.648 -5.802 1.00 0.00 C ATOM 495 C LYS A 36 16.672 1.234 -4.471 1.00 0.00 C ATOM 496 O LYS A 36 16.221 0.100 -4.310 1.00 0.00 O ATOM 497 CB LYS A 36 18.817 1.561 -5.714 1.00 0.00 C ATOM 498 CG LYS A 36 19.424 2.511 -4.696 1.00 0.00 C ATOM 499 CD LYS A 36 20.887 2.790 -4.996 1.00 0.00 C ATOM 500 CE LYS A 36 21.337 4.110 -4.390 1.00 0.00 C ATOM 501 NZ LYS A 36 22.735 4.449 -4.775 1.00 0.00 N ATOM 0 H LYS A 36 17.570 3.720 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 36 16.939 0.966 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 36 19.100 0.540 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.242 1.774 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.867 3.448 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 36 19.332 2.083 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 36 21.501 1.980 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 36 21.041 2.812 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 36 20.667 4.906 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.263 4.055 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 23.004 5.355 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 23.378 3.702 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 22.801 4.527 -5.810 1.00 0.00 H new ATOM 515 N VAL A 37 16.650 2.162 -3.519 1.00 0.00 N ATOM 516 CA VAL A 37 16.083 1.895 -2.204 1.00 0.00 C ATOM 517 C VAL A 37 14.852 1.002 -2.307 1.00 0.00 C ATOM 518 O VAL A 37 13.959 1.245 -3.121 1.00 0.00 O ATOM 519 CB VAL A 37 15.696 3.201 -1.483 1.00 0.00 C ATOM 520 CG1 VAL A 37 14.767 4.035 -2.352 1.00 0.00 C ATOM 521 CG2 VAL A 37 15.053 2.897 -0.138 1.00 0.00 C ATOM 0 H VAL A 37 17.019 3.106 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 37 16.853 1.383 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 37 16.602 3.779 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.504 4.953 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.269 4.283 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.861 3.467 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.786 3.831 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.155 2.298 -0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.756 2.344 0.485 1.00 0.00 H new ATOM 531 N THR A 38 14.808 -0.036 -1.477 1.00 0.00 N ATOM 532 CA THR A 38 13.687 -0.966 -1.475 1.00 0.00 C ATOM 533 C THR A 38 13.141 -1.168 -0.066 1.00 0.00 C ATOM 534 O THR A 38 13.892 -1.151 0.909 1.00 0.00 O ATOM 535 CB THR A 38 14.092 -2.334 -2.057 1.00 0.00 C ATOM 536 OG1 THR A 38 12.994 -3.250 -1.964 1.00 0.00 O ATOM 537 CG2 THR A 38 15.296 -2.901 -1.320 1.00 0.00 C ATOM 0 H THR A 38 15.537 -0.253 -0.797 1.00 0.00 H new ATOM 0 HA THR A 38 12.911 -0.527 -2.102 1.00 0.00 H new ATOM 0 HB THR A 38 14.360 -2.194 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.258 -4.117 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.563 -3.867 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.138 -2.216 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.051 -3.027 -0.265 1.00 0.00 H new ATOM 545 N GLY A 39 11.830 -1.359 0.035 1.00 0.00 N ATOM 546 CA GLY A 39 11.206 -1.562 1.330 1.00 0.00 C ATOM 547 C GLY A 39 10.111 -2.609 1.289 1.00 0.00 C ATOM 548 O GLY A 39 9.772 -3.123 0.223 1.00 0.00 O ATOM 0 H GLY A 39 11.188 -1.377 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.965 -1.863 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.789 -0.618 1.681 1.00 0.00 H new ATOM 552 N LYS A 40 9.555 -2.926 2.453 1.00 0.00 N ATOM 553 CA LYS A 40 8.490 -3.919 2.547 1.00 0.00 C ATOM 554 C LYS A 40 7.209 -3.293 3.088 1.00 0.00 C ATOM 555 O LYS A 40 7.254 -2.375 3.907 1.00 0.00 O ATOM 556 CB LYS A 40 8.925 -5.078 3.449 1.00 0.00 C ATOM 557 CG LYS A 40 10.085 -5.883 2.888 1.00 0.00 C ATOM 558 CD LYS A 40 10.074 -7.311 3.406 1.00 0.00 C ATOM 559 CE LYS A 40 10.900 -8.231 2.520 1.00 0.00 C ATOM 560 NZ LYS A 40 12.361 -7.990 2.678 1.00 0.00 N ATOM 0 H LYS A 40 9.824 -2.510 3.345 1.00 0.00 H new ATOM 0 HA LYS A 40 8.292 -4.300 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.207 -4.682 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.076 -5.742 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.032 -5.889 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.026 -5.404 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.467 -7.334 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.047 -7.674 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.675 -9.269 2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.618 -8.081 1.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.889 -8.637 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.581 -7.007 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.636 -8.158 3.667 1.00 0.00 H new ATOM 574 N TRP A 41 6.070 -3.796 2.627 1.00 0.00 N ATOM 575 CA TRP A 41 4.776 -3.287 3.066 1.00 0.00 C ATOM 576 C TRP A 41 4.309 -4.003 4.329 1.00 0.00 C ATOM 577 O TRP A 41 4.243 -5.231 4.369 1.00 0.00 O ATOM 578 CB TRP A 41 3.736 -3.454 1.957 1.00 0.00 C ATOM 579 CG TRP A 41 4.078 -2.704 0.705 1.00 0.00 C ATOM 580 CD1 TRP A 41 4.924 -3.111 -0.288 1.00 0.00 C ATOM 581 CD2 TRP A 41 3.584 -1.419 0.313 1.00 0.00 C ATOM 582 NE1 TRP A 41 4.986 -2.154 -1.273 1.00 0.00 N ATOM 583 CE2 TRP A 41 4.171 -1.108 -0.929 1.00 0.00 C ATOM 584 CE3 TRP A 41 2.701 -0.502 0.889 1.00 0.00 C ATOM 585 CZ2 TRP A 41 3.904 0.081 -1.602 1.00 0.00 C ATOM 586 CZ3 TRP A 41 2.437 0.678 0.220 1.00 0.00 C ATOM 587 CH2 TRP A 41 3.036 0.961 -1.014 1.00 0.00 C ATOM 0 H TRP A 41 6.016 -4.556 1.949 1.00 0.00 H new ATOM 0 HA TRP A 41 4.889 -2.227 3.292 1.00 0.00 H new ATOM 0 HB2 TRP A 41 3.634 -4.513 1.721 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.767 -3.114 2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.464 -4.046 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.548 -2.213 -2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 41 2.233 -0.712 1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.365 0.301 -2.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.757 1.395 0.656 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.808 1.892 -1.512 1.00 0.00 H new ATOM 598 N TYR A 42 3.987 -3.227 5.358 1.00 0.00 N ATOM 599 CA TYR A 42 3.529 -3.788 6.624 1.00 0.00 C ATOM 600 C TYR A 42 2.053 -3.477 6.855 1.00 0.00 C ATOM 601 O TYR A 42 1.605 -2.348 6.651 1.00 0.00 O ATOM 602 CB TYR A 42 4.364 -3.240 7.781 1.00 0.00 C ATOM 603 CG TYR A 42 5.814 -3.669 7.738 1.00 0.00 C ATOM 604 CD1 TYR A 42 6.727 -3.018 6.918 1.00 0.00 C ATOM 605 CD2 TYR A 42 6.270 -4.726 8.517 1.00 0.00 C ATOM 606 CE1 TYR A 42 8.052 -3.407 6.874 1.00 0.00 C ATOM 607 CE2 TYR A 42 7.593 -5.120 8.481 1.00 0.00 C ATOM 608 CZ TYR A 42 8.480 -4.459 7.658 1.00 0.00 C ATOM 609 OH TYR A 42 9.798 -4.850 7.618 1.00 0.00 O ATOM 0 H TYR A 42 4.035 -2.208 5.341 1.00 0.00 H new ATOM 0 HA TYR A 42 3.651 -4.870 6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.315 -2.151 7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.924 -3.568 8.723 1.00 0.00 H new ATOM 0 HD1 TYR A 42 6.395 -2.194 6.304 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.578 -5.248 9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.749 -2.891 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.931 -5.942 9.095 1.00 0.00 H new ATOM 0 HH TYR A 42 9.934 -5.603 8.230 1.00 0.00 H new ATOM 619 N LYS A 43 1.302 -4.485 7.282 1.00 0.00 N ATOM 620 CA LYS A 43 -0.123 -4.321 7.544 1.00 0.00 C ATOM 621 C LYS A 43 -0.426 -4.490 9.030 1.00 0.00 C ATOM 622 O LYS A 43 -0.253 -5.573 9.589 1.00 0.00 O ATOM 623 CB LYS A 43 -0.931 -5.334 6.730 1.00 0.00 C ATOM 624 CG LYS A 43 -2.434 -5.139 6.836 1.00 0.00 C ATOM 625 CD LYS A 43 -3.161 -5.748 5.649 1.00 0.00 C ATOM 626 CE LYS A 43 -3.404 -7.236 5.848 1.00 0.00 C ATOM 627 NZ LYS A 43 -2.137 -8.018 5.785 1.00 0.00 N ATOM 0 H LYS A 43 1.656 -5.426 7.454 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.409 -3.312 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.637 -5.263 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.679 -6.340 7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.797 -5.594 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.660 -4.074 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.114 -5.239 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.575 -5.592 4.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.884 -7.400 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.092 -7.597 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.313 -8.927 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.424 -7.482 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.788 -8.192 6.749 1.00 0.00 H new ATOM 641 N ASN A 44 -0.880 -3.414 9.662 1.00 0.00 N ATOM 642 CA ASN A 44 -1.208 -3.444 11.084 1.00 0.00 C ATOM 643 C ASN A 44 -0.121 -4.162 11.878 1.00 0.00 C ATOM 644 O ASN A 44 -0.388 -4.747 12.926 1.00 0.00 O ATOM 645 CB ASN A 44 -2.555 -4.133 11.302 1.00 0.00 C ATOM 646 CG ASN A 44 -3.233 -3.686 12.583 1.00 0.00 C ATOM 647 OD1 ASN A 44 -4.430 -3.124 12.454 1.00 0.00 O flip ATOM 648 ND2 ASN A 44 -2.687 -3.842 13.675 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.030 -2.510 9.213 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.272 -2.416 11.439 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.209 -3.922 10.456 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.407 -5.213 11.330 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.767 -4.279 13.727 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.155 -3.535 14.528 1.00 0.00 H new ATOM 655 N GLY A 45 1.106 -4.113 11.370 1.00 0.00 N ATOM 656 CA GLY A 45 2.215 -4.763 12.044 1.00 0.00 C ATOM 657 C GLY A 45 2.456 -6.171 11.540 1.00 0.00 C ATOM 658 O GLY A 45 2.731 -7.081 12.322 1.00 0.00 O ATOM 0 H GLY A 45 1.352 -3.635 10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.119 -4.171 11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.017 -4.793 13.116 1.00 0.00 H new ATOM 662 N VAL A 46 2.350 -6.355 10.227 1.00 0.00 N ATOM 663 CA VAL A 46 2.557 -7.664 9.619 1.00 0.00 C ATOM 664 C VAL A 46 3.298 -7.542 8.292 1.00 0.00 C ATOM 665 O VAL A 46 2.829 -6.881 7.366 1.00 0.00 O ATOM 666 CB VAL A 46 1.220 -8.390 9.381 1.00 0.00 C ATOM 667 CG1 VAL A 46 1.454 -9.731 8.703 1.00 0.00 C ATOM 668 CG2 VAL A 46 0.472 -8.570 10.694 1.00 0.00 C ATOM 0 H VAL A 46 2.122 -5.614 9.564 1.00 0.00 H new ATOM 0 HA VAL A 46 3.159 -8.246 10.317 1.00 0.00 H new ATOM 0 HB VAL A 46 0.606 -7.778 8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.498 -10.230 8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.946 -9.573 7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.086 -10.353 9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.471 -9.085 10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.079 -9.161 11.380 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.271 -7.594 11.135 1.00 0.00 H new ATOM 678 N GLU A 47 4.459 -8.185 8.208 1.00 0.00 N ATOM 679 CA GLU A 47 5.266 -8.147 6.994 1.00 0.00 C ATOM 680 C GLU A 47 4.503 -8.743 5.815 1.00 0.00 C ATOM 681 O GLU A 47 4.325 -9.957 5.725 1.00 0.00 O ATOM 682 CB GLU A 47 6.577 -8.908 7.203 1.00 0.00 C ATOM 683 CG GLU A 47 7.606 -8.658 6.114 1.00 0.00 C ATOM 684 CD GLU A 47 8.906 -9.402 6.356 1.00 0.00 C ATOM 685 OE1 GLU A 47 8.917 -10.641 6.202 1.00 0.00 O ATOM 686 OE2 GLU A 47 9.910 -8.744 6.699 1.00 0.00 O ATOM 0 H GLU A 47 4.861 -8.738 8.965 1.00 0.00 H new ATOM 0 HA GLU A 47 5.491 -7.104 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.003 -8.624 8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.364 -9.976 7.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.192 -8.961 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.810 -7.589 6.051 1.00 0.00 H new ATOM 693 N VAL A 48 4.052 -7.877 4.912 1.00 0.00 N ATOM 694 CA VAL A 48 3.307 -8.316 3.738 1.00 0.00 C ATOM 695 C VAL A 48 4.243 -8.871 2.670 1.00 0.00 C ATOM 696 O VAL A 48 5.281 -8.282 2.372 1.00 0.00 O ATOM 697 CB VAL A 48 2.482 -7.163 3.133 1.00 0.00 C ATOM 698 CG1 VAL A 48 1.730 -7.637 1.899 1.00 0.00 C ATOM 699 CG2 VAL A 48 1.523 -6.596 4.168 1.00 0.00 C ATOM 0 H VAL A 48 4.190 -6.868 4.971 1.00 0.00 H new ATOM 0 HA VAL A 48 2.629 -9.103 4.069 1.00 0.00 H new ATOM 0 HB VAL A 48 3.164 -6.369 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.153 -6.810 1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.441 -7.992 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.056 -8.449 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.948 -5.783 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.844 -7.380 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.089 -6.218 5.020 1.00 0.00 H new ATOM 709 N ARG A 49 3.868 -10.010 2.097 1.00 0.00 N ATOM 710 CA ARG A 49 4.673 -10.647 1.062 1.00 0.00 C ATOM 711 C ARG A 49 3.841 -10.908 -0.191 1.00 0.00 C ATOM 712 O ARG A 49 2.665 -11.263 -0.121 1.00 0.00 O ATOM 713 CB ARG A 49 5.262 -11.959 1.580 1.00 0.00 C ATOM 714 CG ARG A 49 4.219 -13.030 1.854 1.00 0.00 C ATOM 715 CD ARG A 49 3.953 -13.879 0.621 1.00 0.00 C ATOM 716 NE ARG A 49 4.835 -15.042 0.556 1.00 0.00 N ATOM 717 CZ ARG A 49 4.822 -16.023 1.450 1.00 0.00 C ATOM 718 NH1 ARG A 49 3.978 -15.983 2.472 1.00 0.00 N ATOM 719 NH2 ARG A 49 5.655 -17.048 1.323 1.00 0.00 N ATOM 0 H ARG A 49 3.011 -10.511 2.332 1.00 0.00 H new ATOM 0 HA ARG A 49 5.487 -9.970 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.977 -12.339 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.817 -11.761 2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.558 -13.668 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.291 -12.560 2.180 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.915 -14.211 0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.088 -13.271 -0.274 1.00 0.00 H new ATOM 0 HE ARG A 49 5.496 -15.103 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.336 -15.197 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.971 -16.739 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.306 -17.082 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.645 -17.802 2.010 1.00 0.00 H new ATOM 733 N PRO A 50 4.467 -10.731 -1.364 1.00 0.00 N ATOM 734 CA PRO A 50 3.804 -10.942 -2.654 1.00 0.00 C ATOM 735 C PRO A 50 3.512 -12.414 -2.921 1.00 0.00 C ATOM 736 O PRO A 50 4.275 -13.292 -2.516 1.00 0.00 O ATOM 737 CB PRO A 50 4.818 -10.405 -3.667 1.00 0.00 C ATOM 738 CG PRO A 50 6.137 -10.530 -2.985 1.00 0.00 C ATOM 739 CD PRO A 50 5.868 -10.310 -1.522 1.00 0.00 C ATOM 0 HA PRO A 50 2.834 -10.447 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.795 -10.980 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.605 -9.369 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.574 -11.513 -3.158 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.845 -9.795 -3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.538 -10.901 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.008 -9.266 -1.241 1.00 0.00 H new ATOM 747 N SER A 51 2.404 -12.680 -3.606 1.00 0.00 N ATOM 748 CA SER A 51 2.010 -14.047 -3.924 1.00 0.00 C ATOM 749 C SER A 51 1.113 -14.081 -5.158 1.00 0.00 C ATOM 750 O SER A 51 0.663 -13.043 -5.641 1.00 0.00 O ATOM 751 CB SER A 51 1.286 -14.682 -2.735 1.00 0.00 C ATOM 752 OG SER A 51 1.489 -16.084 -2.704 1.00 0.00 O ATOM 0 H SER A 51 1.763 -11.966 -3.951 1.00 0.00 H new ATOM 0 HA SER A 51 2.913 -14.619 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.646 -14.239 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.219 -14.467 -2.798 1.00 0.00 H new ATOM 0 HG SER A 51 1.018 -16.466 -1.934 1.00 0.00 H new ATOM 758 N LYS A 52 0.859 -15.283 -5.664 1.00 0.00 N ATOM 759 CA LYS A 52 0.015 -15.455 -6.840 1.00 0.00 C ATOM 760 C LYS A 52 -1.112 -14.428 -6.857 1.00 0.00 C ATOM 761 O LYS A 52 -1.529 -13.968 -7.921 1.00 0.00 O ATOM 762 CB LYS A 52 -0.570 -16.869 -6.870 1.00 0.00 C ATOM 763 CG LYS A 52 -0.993 -17.382 -5.505 1.00 0.00 C ATOM 764 CD LYS A 52 -0.818 -18.887 -5.396 1.00 0.00 C ATOM 765 CE LYS A 52 -0.834 -19.348 -3.947 1.00 0.00 C ATOM 766 NZ LYS A 52 -0.392 -20.763 -3.809 1.00 0.00 N ATOM 0 H LYS A 52 1.226 -16.153 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 52 0.633 -15.304 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.432 -16.882 -7.537 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.169 -17.550 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.404 -16.889 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.036 -17.122 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.615 -19.387 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.123 -19.179 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.183 -18.705 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.841 -19.241 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.417 -21.038 -2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.028 -21.380 -4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.578 -20.860 -4.170 1.00 0.00 H new ATOM 780 N ARG A 53 -1.599 -14.070 -5.673 1.00 0.00 N ATOM 781 CA ARG A 53 -2.677 -13.096 -5.554 1.00 0.00 C ATOM 782 C ARG A 53 -2.127 -11.672 -5.568 1.00 0.00 C ATOM 783 O ARG A 53 -2.416 -10.894 -6.477 1.00 0.00 O ATOM 784 CB ARG A 53 -3.469 -13.335 -4.267 1.00 0.00 C ATOM 785 CG ARG A 53 -4.931 -12.934 -4.367 1.00 0.00 C ATOM 786 CD ARG A 53 -5.799 -13.750 -3.422 1.00 0.00 C ATOM 787 NE ARG A 53 -5.482 -13.486 -2.022 1.00 0.00 N ATOM 788 CZ ARG A 53 -5.953 -14.210 -1.012 1.00 0.00 C ATOM 789 NH1 ARG A 53 -6.757 -15.237 -1.247 1.00 0.00 N ATOM 790 NH2 ARG A 53 -5.619 -13.907 0.236 1.00 0.00 N ATOM 0 H ARG A 53 -1.264 -14.440 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.341 -13.220 -6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.408 -14.391 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.003 -12.777 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.035 -11.874 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.278 -13.071 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.849 -13.521 -3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.663 -14.811 -3.630 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.865 -12.703 -1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.016 -15.473 -2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.117 -15.791 -0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.000 -13.118 0.421 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.981 -14.463 1.010 1.00 0.00 H new ATOM 804 N ILE A 54 -1.335 -11.339 -4.554 1.00 0.00 N ATOM 805 CA ILE A 54 -0.746 -10.010 -4.450 1.00 0.00 C ATOM 806 C ILE A 54 0.357 -9.816 -5.485 1.00 0.00 C ATOM 807 O ILE A 54 1.190 -10.698 -5.694 1.00 0.00 O ATOM 808 CB ILE A 54 -0.167 -9.759 -3.046 1.00 0.00 C ATOM 809 CG1 ILE A 54 -1.272 -9.842 -1.992 1.00 0.00 C ATOM 810 CG2 ILE A 54 0.524 -8.404 -2.992 1.00 0.00 C ATOM 811 CD1 ILE A 54 -0.756 -10.092 -0.593 1.00 0.00 C ATOM 0 H ILE A 54 -1.087 -11.971 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.547 -9.294 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 54 0.572 -10.531 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.841 -8.912 -2.000 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.963 -10.640 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.928 -8.241 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.335 -8.380 -3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.196 -7.619 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.595 -10.139 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.212 -11.036 -0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.088 -9.281 -0.301 1.00 0.00 H new ATOM 823 N THR A 55 0.358 -8.655 -6.131 1.00 0.00 N ATOM 824 CA THR A 55 1.358 -8.343 -7.144 1.00 0.00 C ATOM 825 C THR A 55 2.103 -7.058 -6.805 1.00 0.00 C ATOM 826 O THR A 55 1.531 -5.967 -6.849 1.00 0.00 O ATOM 827 CB THR A 55 0.721 -8.201 -8.539 1.00 0.00 C ATOM 828 OG1 THR A 55 0.009 -9.397 -8.876 1.00 0.00 O ATOM 829 CG2 THR A 55 1.781 -7.922 -9.593 1.00 0.00 C ATOM 0 H THR A 55 -0.324 -7.914 -5.970 1.00 0.00 H new ATOM 0 HA THR A 55 2.062 -9.175 -7.158 1.00 0.00 H new ATOM 0 HB THR A 55 0.028 -7.360 -8.513 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.395 -9.298 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.307 -7.826 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.301 -6.996 -9.349 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.496 -8.744 -9.616 1.00 0.00 H new ATOM 837 N ILE A 56 3.381 -7.191 -6.467 1.00 0.00 N ATOM 838 CA ILE A 56 4.204 -6.039 -6.122 1.00 0.00 C ATOM 839 C ILE A 56 5.236 -5.755 -7.208 1.00 0.00 C ATOM 840 O ILE A 56 5.947 -6.655 -7.653 1.00 0.00 O ATOM 841 CB ILE A 56 4.932 -6.247 -4.780 1.00 0.00 C ATOM 842 CG1 ILE A 56 3.924 -6.288 -3.630 1.00 0.00 C ATOM 843 CG2 ILE A 56 5.955 -5.145 -4.556 1.00 0.00 C ATOM 844 CD1 ILE A 56 4.567 -6.441 -2.269 1.00 0.00 C ATOM 0 H ILE A 56 3.869 -8.086 -6.425 1.00 0.00 H new ATOM 0 HA ILE A 56 3.530 -5.187 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 56 5.457 -7.202 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.333 -5.372 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.233 -7.116 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.461 -5.306 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.688 -5.159 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.451 -4.179 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.793 -6.463 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.135 -7.371 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.236 -5.600 -2.086 1.00 0.00 H new ATOM 856 N SER A 57 5.314 -4.495 -7.628 1.00 0.00 N ATOM 857 CA SER A 57 6.257 -4.093 -8.664 1.00 0.00 C ATOM 858 C SER A 57 7.144 -2.952 -8.176 1.00 0.00 C ATOM 859 O SER A 57 6.762 -2.188 -7.289 1.00 0.00 O ATOM 860 CB SER A 57 5.509 -3.667 -9.928 1.00 0.00 C ATOM 861 OG SER A 57 5.103 -4.793 -10.686 1.00 0.00 O ATOM 0 H SER A 57 4.736 -3.737 -7.266 1.00 0.00 H new ATOM 0 HA SER A 57 6.890 -4.949 -8.897 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.636 -3.075 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.150 -3.028 -10.535 1.00 0.00 H new ATOM 0 HG SER A 57 4.626 -4.493 -11.488 1.00 0.00 H new ATOM 867 N HIS A 58 8.333 -2.842 -8.763 1.00 0.00 N ATOM 868 CA HIS A 58 9.276 -1.794 -8.389 1.00 0.00 C ATOM 869 C HIS A 58 9.752 -1.028 -9.619 1.00 0.00 C ATOM 870 O HIS A 58 10.635 -1.484 -10.345 1.00 0.00 O ATOM 871 CB HIS A 58 10.474 -2.396 -7.653 1.00 0.00 C ATOM 872 CG HIS A 58 11.298 -1.382 -6.920 1.00 0.00 C ATOM 873 ND1 HIS A 58 11.609 -0.102 -7.232 1.00 0.00 N flip ATOM 874 CD2 HIS A 58 11.913 -1.643 -5.714 1.00 0.00 C flip ATOM 875 CE1 HIS A 58 12.396 0.384 -6.216 1.00 0.00 C flip ATOM 876 NE2 HIS A 58 12.564 -0.565 -5.313 1.00 0.00 N flip ATOM 0 H HIS A 58 8.665 -3.465 -9.499 1.00 0.00 H new ATOM 0 HA HIS A 58 8.764 -1.098 -7.725 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.117 -3.143 -6.944 1.00 0.00 H new ATOM 0 HB3 HIS A 58 11.107 -2.916 -8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.870 -2.581 -5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.810 1.380 -6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.104 -0.480 -4.452 1.00 0.00 H new ATOM 885 N VAL A 59 9.159 0.140 -9.848 1.00 0.00 N ATOM 886 CA VAL A 59 9.522 0.970 -10.990 1.00 0.00 C ATOM 887 C VAL A 59 10.391 2.146 -10.561 1.00 0.00 C ATOM 888 O VAL A 59 9.889 3.158 -10.073 1.00 0.00 O ATOM 889 CB VAL A 59 8.273 1.507 -11.714 1.00 0.00 C ATOM 890 CG1 VAL A 59 8.673 2.416 -12.866 1.00 0.00 C ATOM 891 CG2 VAL A 59 7.407 0.357 -12.207 1.00 0.00 C ATOM 0 H VAL A 59 8.425 0.532 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 59 10.085 0.336 -11.675 1.00 0.00 H new ATOM 0 HB VAL A 59 7.688 2.094 -11.006 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.778 2.786 -13.366 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.248 3.258 -12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.280 1.856 -13.577 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.529 0.755 -12.716 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.980 -0.259 -12.900 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.091 -0.250 -11.359 1.00 0.00 H new ATOM 901 N GLY A 60 11.701 2.006 -10.745 1.00 0.00 N ATOM 902 CA GLY A 60 12.620 3.065 -10.370 1.00 0.00 C ATOM 903 C GLY A 60 12.260 3.704 -9.044 1.00 0.00 C ATOM 904 O GLY A 60 12.195 3.027 -8.018 1.00 0.00 O ATOM 0 H GLY A 60 12.142 1.178 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.631 2.661 -10.312 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.626 3.829 -11.148 1.00 0.00 H new ATOM 908 N ARG A 61 12.025 5.012 -9.063 1.00 0.00 N ATOM 909 CA ARG A 61 11.673 5.744 -7.853 1.00 0.00 C ATOM 910 C ARG A 61 10.172 5.667 -7.589 1.00 0.00 C ATOM 911 O ARG A 61 9.563 6.630 -7.125 1.00 0.00 O ATOM 912 CB ARG A 61 12.107 7.206 -7.969 1.00 0.00 C ATOM 913 CG ARG A 61 13.597 7.382 -8.211 1.00 0.00 C ATOM 914 CD ARG A 61 13.988 8.851 -8.233 1.00 0.00 C ATOM 915 NE ARG A 61 15.311 9.057 -8.818 1.00 0.00 N ATOM 916 CZ ARG A 61 15.811 10.254 -9.102 1.00 0.00 C ATOM 917 NH1 ARG A 61 15.102 11.348 -8.855 1.00 0.00 N ATOM 918 NH2 ARG A 61 17.021 10.360 -9.635 1.00 0.00 N ATOM 0 H ARG A 61 12.072 5.587 -9.904 1.00 0.00 H new ATOM 0 HA ARG A 61 12.197 5.283 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.557 7.676 -8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.832 7.732 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.157 6.867 -7.430 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.870 6.917 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.248 9.414 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.976 9.245 -7.217 1.00 0.00 H new ATOM 0 HE ARG A 61 15.882 8.236 -9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.171 11.271 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.488 12.266 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.569 9.521 -9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.404 11.280 -9.853 1.00 0.00 H new ATOM 932 N PHE A 62 9.583 4.514 -7.889 1.00 0.00 N ATOM 933 CA PHE A 62 8.153 4.312 -7.686 1.00 0.00 C ATOM 934 C PHE A 62 7.854 2.859 -7.331 1.00 0.00 C ATOM 935 O PHE A 62 8.469 1.937 -7.868 1.00 0.00 O ATOM 936 CB PHE A 62 7.375 4.711 -8.943 1.00 0.00 C ATOM 937 CG PHE A 62 7.257 6.197 -9.126 1.00 0.00 C ATOM 938 CD1 PHE A 62 8.298 6.927 -9.676 1.00 0.00 C ATOM 939 CD2 PHE A 62 6.102 6.864 -8.748 1.00 0.00 C ATOM 940 CE1 PHE A 62 8.191 8.294 -9.846 1.00 0.00 C ATOM 941 CE2 PHE A 62 5.989 8.232 -8.917 1.00 0.00 C ATOM 942 CZ PHE A 62 7.036 8.947 -9.465 1.00 0.00 C ATOM 0 H PHE A 62 10.073 3.706 -8.273 1.00 0.00 H new ATOM 0 HA PHE A 62 7.837 4.944 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.867 4.283 -9.817 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.376 4.278 -8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 62 9.204 6.421 -9.976 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.282 6.309 -8.317 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.010 8.851 -10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.083 8.740 -8.621 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.951 10.016 -9.595 1.00 0.00 H new ATOM 952 N HIS A 63 6.905 2.661 -6.421 1.00 0.00 N ATOM 953 CA HIS A 63 6.525 1.319 -5.992 1.00 0.00 C ATOM 954 C HIS A 63 5.044 1.064 -6.257 1.00 0.00 C ATOM 955 O HIS A 63 4.277 1.995 -6.503 1.00 0.00 O ATOM 956 CB HIS A 63 6.828 1.130 -4.506 1.00 0.00 C ATOM 957 CG HIS A 63 8.290 1.193 -4.180 1.00 0.00 C ATOM 958 ND1 HIS A 63 9.166 2.223 -4.238 1.00 0.00 N flip ATOM 959 CD2 HIS A 63 9.009 0.103 -3.737 1.00 0.00 C flip ATOM 960 CE1 HIS A 63 10.386 1.743 -3.832 1.00 0.00 C flip ATOM 961 NE2 HIS A 63 10.265 0.462 -3.534 1.00 0.00 N flip ATOM 0 H HIS A 63 6.385 3.412 -5.967 1.00 0.00 H new ATOM 0 HA HIS A 63 7.109 0.601 -6.568 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.304 1.897 -3.936 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.433 0.167 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.609 -0.888 -3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.297 2.319 -3.767 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.014 -0.147 -3.203 1.00 0.00 H new ATOM 970 N LYS A 64 4.648 -0.203 -6.205 1.00 0.00 N ATOM 971 CA LYS A 64 3.259 -0.582 -6.439 1.00 0.00 C ATOM 972 C LYS A 64 2.888 -1.819 -5.627 1.00 0.00 C ATOM 973 O LYS A 64 3.660 -2.775 -5.546 1.00 0.00 O ATOM 974 CB LYS A 64 3.025 -0.846 -7.928 1.00 0.00 C ATOM 975 CG LYS A 64 1.572 -1.121 -8.276 1.00 0.00 C ATOM 976 CD LYS A 64 1.347 -1.112 -9.778 1.00 0.00 C ATOM 977 CE LYS A 64 1.542 -2.496 -10.378 1.00 0.00 C ATOM 978 NZ LYS A 64 1.321 -2.499 -11.851 1.00 0.00 N ATOM 0 H LYS A 64 5.270 -0.986 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 64 2.624 0.244 -6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.370 0.015 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.631 -1.697 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.276 -2.088 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.936 -0.370 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.339 -0.759 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.037 -0.410 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.551 -2.847 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.853 -3.197 -9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.463 -3.460 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.350 -2.189 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.995 -1.850 -12.305 1.00 0.00 H new ATOM 992 N LEU A 65 1.703 -1.793 -5.028 1.00 0.00 N ATOM 993 CA LEU A 65 1.229 -2.914 -4.223 1.00 0.00 C ATOM 994 C LEU A 65 -0.222 -3.248 -4.555 1.00 0.00 C ATOM 995 O LEU A 65 -1.144 -2.559 -4.117 1.00 0.00 O ATOM 996 CB LEU A 65 1.363 -2.591 -2.735 1.00 0.00 C ATOM 997 CG LEU A 65 0.488 -3.414 -1.788 1.00 0.00 C ATOM 998 CD1 LEU A 65 0.998 -4.844 -1.697 1.00 0.00 C ATOM 999 CD2 LEU A 65 0.445 -2.773 -0.409 1.00 0.00 C ATOM 0 H LEU A 65 1.053 -1.009 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 65 1.844 -3.783 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.405 -2.728 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.128 -1.536 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.526 -3.436 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.363 -5.414 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.976 -5.302 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.021 -4.842 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.182 -3.372 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.454 -2.720 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.032 -1.767 -0.488 1.00 0.00 H new ATOM 1011 N VAL A 66 -0.418 -4.311 -5.330 1.00 0.00 N ATOM 1012 CA VAL A 66 -1.757 -4.737 -5.717 1.00 0.00 C ATOM 1013 C VAL A 66 -2.250 -5.874 -4.830 1.00 0.00 C ATOM 1014 O VAL A 66 -1.500 -6.800 -4.517 1.00 0.00 O ATOM 1015 CB VAL A 66 -1.796 -5.195 -7.188 1.00 0.00 C ATOM 1016 CG1 VAL A 66 -3.234 -5.303 -7.674 1.00 0.00 C ATOM 1017 CG2 VAL A 66 -0.998 -4.241 -8.064 1.00 0.00 C ATOM 0 H VAL A 66 0.334 -4.892 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.412 -3.874 -5.594 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.339 -6.182 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.243 -5.628 -8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.771 -6.028 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.719 -4.330 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.036 -4.580 -9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.424 -3.240 -7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.039 -4.219 -7.728 1.00 0.00 H new ATOM 1027 N ILE A 67 -3.513 -5.798 -4.427 1.00 0.00 N ATOM 1028 CA ILE A 67 -4.107 -6.822 -3.576 1.00 0.00 C ATOM 1029 C ILE A 67 -5.383 -7.381 -4.196 1.00 0.00 C ATOM 1030 O ILE A 67 -6.416 -6.711 -4.223 1.00 0.00 O ATOM 1031 CB ILE A 67 -4.429 -6.271 -2.174 1.00 0.00 C ATOM 1032 CG1 ILE A 67 -3.154 -5.765 -1.496 1.00 0.00 C ATOM 1033 CG2 ILE A 67 -5.096 -7.343 -1.325 1.00 0.00 C ATOM 1034 CD1 ILE A 67 -3.368 -5.312 -0.069 1.00 0.00 C ATOM 0 H ILE A 67 -4.146 -5.038 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.371 -7.621 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.120 -5.434 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.406 -6.558 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.749 -4.935 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.318 -6.939 -0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.022 -7.662 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.426 -8.197 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.422 -4.966 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.092 -4.497 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.744 -6.145 0.525 1.00 0.00 H new ATOM 1046 N ASP A 68 -5.304 -8.611 -4.692 1.00 0.00 N ATOM 1047 CA ASP A 68 -6.454 -9.261 -5.309 1.00 0.00 C ATOM 1048 C ASP A 68 -7.319 -9.949 -4.258 1.00 0.00 C ATOM 1049 O ASP A 68 -6.809 -10.490 -3.277 1.00 0.00 O ATOM 1050 CB ASP A 68 -5.992 -10.280 -6.352 1.00 0.00 C ATOM 1051 CG ASP A 68 -7.048 -10.551 -7.406 1.00 0.00 C ATOM 1052 OD1 ASP A 68 -8.179 -10.921 -7.029 1.00 0.00 O ATOM 1053 OD2 ASP A 68 -6.743 -10.391 -8.605 1.00 0.00 O ATOM 0 H ASP A 68 -4.456 -9.178 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.052 -8.494 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.086 -9.915 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.733 -11.214 -5.853 1.00 0.00 H new ATOM 1058 N ASP A 69 -8.630 -9.923 -4.469 1.00 0.00 N ATOM 1059 CA ASP A 69 -9.567 -10.543 -3.538 1.00 0.00 C ATOM 1060 C ASP A 69 -9.548 -9.830 -2.191 1.00 0.00 C ATOM 1061 O ASP A 69 -9.367 -10.457 -1.147 1.00 0.00 O ATOM 1062 CB ASP A 69 -9.228 -12.022 -3.352 1.00 0.00 C ATOM 1063 CG ASP A 69 -10.444 -12.856 -3.000 1.00 0.00 C ATOM 1064 OD1 ASP A 69 -10.886 -12.797 -1.834 1.00 0.00 O ATOM 1065 OD2 ASP A 69 -10.955 -13.565 -3.891 1.00 0.00 O ATOM 0 H ASP A 69 -9.069 -9.480 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.569 -10.457 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.780 -12.407 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.481 -12.124 -2.565 1.00 0.00 H new ATOM 1070 N VAL A 70 -9.735 -8.514 -2.220 1.00 0.00 N ATOM 1071 CA VAL A 70 -9.739 -7.715 -1.001 1.00 0.00 C ATOM 1072 C VAL A 70 -10.516 -8.411 0.110 1.00 0.00 C ATOM 1073 O VAL A 70 -11.730 -8.588 0.017 1.00 0.00 O ATOM 1074 CB VAL A 70 -10.351 -6.323 -1.245 1.00 0.00 C ATOM 1075 CG1 VAL A 70 -10.743 -5.673 0.074 1.00 0.00 C ATOM 1076 CG2 VAL A 70 -9.380 -5.441 -2.015 1.00 0.00 C ATOM 0 H VAL A 70 -9.886 -7.979 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.699 -7.599 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.252 -6.442 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.174 -4.690 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.477 -6.297 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.860 -5.565 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.829 -4.461 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.459 -5.327 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.154 -5.902 -2.977 1.00 0.00 H new ATOM 1086 N ARG A 71 -9.806 -8.806 1.162 1.00 0.00 N ATOM 1087 CA ARG A 71 -10.427 -9.484 2.293 1.00 0.00 C ATOM 1088 C ARG A 71 -10.839 -8.485 3.369 1.00 0.00 C ATOM 1089 O ARG A 71 -10.307 -7.378 3.458 1.00 0.00 O ATOM 1090 CB ARG A 71 -9.469 -10.521 2.884 1.00 0.00 C ATOM 1091 CG ARG A 71 -8.030 -10.039 2.968 1.00 0.00 C ATOM 1092 CD ARG A 71 -7.145 -11.051 3.680 1.00 0.00 C ATOM 1093 NE ARG A 71 -6.039 -10.410 4.386 1.00 0.00 N ATOM 1094 CZ ARG A 71 -5.288 -11.026 5.292 1.00 0.00 C ATOM 1095 NH1 ARG A 71 -5.524 -12.295 5.600 1.00 0.00 N ATOM 1096 NH2 ARG A 71 -4.300 -10.376 5.891 1.00 0.00 N ATOM 0 H ARG A 71 -8.800 -8.668 1.254 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.322 -9.991 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.812 -10.793 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.506 -11.426 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.646 -9.860 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.994 -9.087 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.745 -11.622 4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.749 -11.760 2.954 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.832 -9.435 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.283 -12.799 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.946 -12.767 6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.115 -9.401 5.656 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.725 -10.851 6.586 1.00 0.00 H new ATOM 1110 N PRO A 72 -11.810 -8.881 4.206 1.00 0.00 N ATOM 1111 CA PRO A 72 -12.314 -8.033 5.291 1.00 0.00 C ATOM 1112 C PRO A 72 -11.292 -7.850 6.407 1.00 0.00 C ATOM 1113 O PRO A 72 -11.574 -7.215 7.421 1.00 0.00 O ATOM 1114 CB PRO A 72 -13.534 -8.802 5.803 1.00 0.00 C ATOM 1115 CG PRO A 72 -13.263 -10.223 5.446 1.00 0.00 C ATOM 1116 CD PRO A 72 -12.489 -10.186 4.157 1.00 0.00 C ATOM 0 HA PRO A 72 -12.542 -7.024 4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.656 -8.680 6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.452 -8.445 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.692 -10.720 6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.193 -10.780 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.776 -11.008 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.146 -10.265 3.291 1.00 0.00 H new ATOM 1124 N GLU A 73 -10.102 -8.412 6.212 1.00 0.00 N ATOM 1125 CA GLU A 73 -9.038 -8.311 7.202 1.00 0.00 C ATOM 1126 C GLU A 73 -7.948 -7.351 6.735 1.00 0.00 C ATOM 1127 O GLU A 73 -7.164 -6.846 7.538 1.00 0.00 O ATOM 1128 CB GLU A 73 -8.435 -9.689 7.480 1.00 0.00 C ATOM 1129 CG GLU A 73 -9.472 -10.752 7.804 1.00 0.00 C ATOM 1130 CD GLU A 73 -9.782 -10.833 9.285 1.00 0.00 C ATOM 1131 OE1 GLU A 73 -8.833 -10.772 10.096 1.00 0.00 O ATOM 1132 OE2 GLU A 73 -10.974 -10.957 9.636 1.00 0.00 O ATOM 0 H GLU A 73 -9.852 -8.942 5.377 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.471 -7.920 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.860 -10.007 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.736 -9.609 8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.390 -10.538 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.113 -11.721 7.458 1.00 0.00 H new ATOM 1139 N ASP A 74 -7.904 -7.107 5.430 1.00 0.00 N ATOM 1140 CA ASP A 74 -6.911 -6.208 4.853 1.00 0.00 C ATOM 1141 C ASP A 74 -7.014 -4.817 5.469 1.00 0.00 C ATOM 1142 O ASP A 74 -6.006 -4.140 5.668 1.00 0.00 O ATOM 1143 CB ASP A 74 -7.088 -6.123 3.336 1.00 0.00 C ATOM 1144 CG ASP A 74 -6.298 -7.187 2.600 1.00 0.00 C ATOM 1145 OD1 ASP A 74 -5.126 -7.414 2.965 1.00 0.00 O ATOM 1146 OD2 ASP A 74 -6.852 -7.791 1.658 1.00 0.00 O ATOM 0 H ASP A 74 -8.544 -7.519 4.751 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.922 -6.610 5.073 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.145 -6.225 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.774 -5.138 2.991 1.00 0.00 H new ATOM 1151 N GLU A 75 -8.239 -4.397 5.768 1.00 0.00 N ATOM 1152 CA GLU A 75 -8.473 -3.085 6.359 1.00 0.00 C ATOM 1153 C GLU A 75 -7.638 -2.901 7.624 1.00 0.00 C ATOM 1154 O GLU A 75 -7.805 -3.629 8.602 1.00 0.00 O ATOM 1155 CB GLU A 75 -9.957 -2.905 6.684 1.00 0.00 C ATOM 1156 CG GLU A 75 -10.230 -1.803 7.695 1.00 0.00 C ATOM 1157 CD GLU A 75 -11.663 -1.808 8.191 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -12.124 -2.866 8.667 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -12.324 -0.752 8.102 1.00 0.00 O ATOM 0 H GLU A 75 -9.084 -4.946 5.611 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.173 -2.329 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.498 -2.684 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.353 -3.845 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.555 -1.918 8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.010 -0.837 7.242 1.00 0.00 H new ATOM 1166 N GLY A 76 -6.739 -1.923 7.595 1.00 0.00 N ATOM 1167 CA GLY A 76 -5.891 -1.660 8.743 1.00 0.00 C ATOM 1168 C GLY A 76 -5.000 -0.451 8.542 1.00 0.00 C ATOM 1169 O GLY A 76 -5.478 0.631 8.203 1.00 0.00 O ATOM 0 H GLY A 76 -6.582 -1.308 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.515 -1.505 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.272 -2.535 8.941 1.00 0.00 H new ATOM 1173 N ASP A 77 -3.701 -0.635 8.754 1.00 0.00 N ATOM 1174 CA ASP A 77 -2.740 0.451 8.593 1.00 0.00 C ATOM 1175 C ASP A 77 -1.531 -0.009 7.787 1.00 0.00 C ATOM 1176 O ASP A 77 -0.627 -0.656 8.317 1.00 0.00 O ATOM 1177 CB ASP A 77 -2.290 0.968 9.961 1.00 0.00 C ATOM 1178 CG ASP A 77 -3.335 1.847 10.621 1.00 0.00 C ATOM 1179 OD1 ASP A 77 -4.460 1.358 10.852 1.00 0.00 O ATOM 1180 OD2 ASP A 77 -3.026 3.023 10.904 1.00 0.00 O ATOM 0 H ASP A 77 -3.290 -1.524 9.037 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.229 1.260 8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.069 0.122 10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.365 1.533 9.846 1.00 0.00 H new ATOM 1185 N TYR A 78 -1.520 0.329 6.502 1.00 0.00 N ATOM 1186 CA TYR A 78 -0.422 -0.052 5.620 1.00 0.00 C ATOM 1187 C TYR A 78 0.750 0.913 5.761 1.00 0.00 C ATOM 1188 O TYR A 78 0.700 2.046 5.281 1.00 0.00 O ATOM 1189 CB TYR A 78 -0.897 -0.086 4.167 1.00 0.00 C ATOM 1190 CG TYR A 78 -1.574 -1.382 3.781 1.00 0.00 C ATOM 1191 CD1 TYR A 78 -2.721 -1.813 4.438 1.00 0.00 C ATOM 1192 CD2 TYR A 78 -1.068 -2.177 2.761 1.00 0.00 C ATOM 1193 CE1 TYR A 78 -3.343 -2.995 4.090 1.00 0.00 C ATOM 1194 CE2 TYR A 78 -1.683 -3.362 2.405 1.00 0.00 C ATOM 1195 CZ TYR A 78 -2.820 -3.767 3.073 1.00 0.00 C ATOM 1196 OH TYR A 78 -3.436 -4.947 2.722 1.00 0.00 O ATOM 0 H TYR A 78 -2.259 0.866 6.048 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.086 -1.048 5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.589 0.739 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.042 0.077 3.510 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.133 -1.212 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.178 -1.863 2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.234 -3.314 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.276 -3.967 1.609 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.398 -4.878 2.896 1.00 0.00 H new ATOM 1206 N THR A 79 1.808 0.456 6.424 1.00 0.00 N ATOM 1207 CA THR A 79 2.994 1.277 6.631 1.00 0.00 C ATOM 1208 C THR A 79 4.198 0.698 5.898 1.00 0.00 C ATOM 1209 O THR A 79 4.612 -0.432 6.160 1.00 0.00 O ATOM 1210 CB THR A 79 3.333 1.409 8.128 1.00 0.00 C ATOM 1211 OG1 THR A 79 2.135 1.337 8.909 1.00 0.00 O ATOM 1212 CG2 THR A 79 4.048 2.723 8.406 1.00 0.00 C ATOM 0 H THR A 79 1.867 -0.479 6.827 1.00 0.00 H new ATOM 0 HA THR A 79 2.768 2.265 6.229 1.00 0.00 H new ATOM 0 HB THR A 79 3.995 0.588 8.403 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.359 1.420 9.860 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.277 2.795 9.469 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.974 2.762 7.832 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.406 3.555 8.117 1.00 0.00 H new ATOM 1220 N PHE A 80 4.758 1.477 4.979 1.00 0.00 N ATOM 1221 CA PHE A 80 5.916 1.041 4.208 1.00 0.00 C ATOM 1222 C PHE A 80 7.207 1.593 4.804 1.00 0.00 C ATOM 1223 O PHE A 80 7.258 2.740 5.249 1.00 0.00 O ATOM 1224 CB PHE A 80 5.782 1.487 2.750 1.00 0.00 C ATOM 1225 CG PHE A 80 6.991 1.175 1.915 1.00 0.00 C ATOM 1226 CD1 PHE A 80 7.146 -0.074 1.337 1.00 0.00 C ATOM 1227 CD2 PHE A 80 7.973 2.131 1.709 1.00 0.00 C ATOM 1228 CE1 PHE A 80 8.257 -0.364 0.567 1.00 0.00 C ATOM 1229 CE2 PHE A 80 9.085 1.847 0.939 1.00 0.00 C ATOM 1230 CZ PHE A 80 9.229 0.598 0.368 1.00 0.00 C ATOM 0 H PHE A 80 4.428 2.415 4.750 1.00 0.00 H new ATOM 0 HA PHE A 80 5.957 -0.048 4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.911 1.003 2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.598 2.561 2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.390 -0.830 1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.868 3.109 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.365 -1.342 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.841 2.602 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.098 0.374 -0.232 1.00 0.00 H new ATOM 1240 N VAL A 81 8.249 0.767 4.812 1.00 0.00 N ATOM 1241 CA VAL A 81 9.541 1.172 5.352 1.00 0.00 C ATOM 1242 C VAL A 81 10.678 0.768 4.421 1.00 0.00 C ATOM 1243 O VAL A 81 10.998 -0.411 4.266 1.00 0.00 O ATOM 1244 CB VAL A 81 9.786 0.553 6.742 1.00 0.00 C ATOM 1245 CG1 VAL A 81 11.047 1.129 7.368 1.00 0.00 C ATOM 1246 CG2 VAL A 81 8.582 0.777 7.644 1.00 0.00 C ATOM 0 H VAL A 81 8.223 -0.186 4.451 1.00 0.00 H new ATOM 0 HA VAL A 81 9.520 2.258 5.443 1.00 0.00 H new ATOM 0 HB VAL A 81 9.927 -0.521 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.204 0.680 8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.903 0.912 6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.939 2.208 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.772 0.334 8.621 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.407 1.847 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.703 0.311 7.199 1.00 0.00 H new ATOM 1256 N PRO A 82 11.305 1.769 3.786 1.00 0.00 N ATOM 1257 CA PRO A 82 12.419 1.542 2.859 1.00 0.00 C ATOM 1258 C PRO A 82 13.681 1.073 3.572 1.00 0.00 C ATOM 1259 O PRO A 82 14.262 1.806 4.373 1.00 0.00 O ATOM 1260 CB PRO A 82 12.641 2.920 2.229 1.00 0.00 C ATOM 1261 CG PRO A 82 12.126 3.886 3.239 1.00 0.00 C ATOM 1262 CD PRO A 82 10.978 3.197 3.923 1.00 0.00 C ATOM 0 HA PRO A 82 12.194 0.758 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 82 13.696 3.093 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.107 3.014 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.903 4.153 3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.799 4.811 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.898 3.492 4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.026 3.438 3.450 1.00 0.00 H new ATOM 1270 N ASP A 83 14.102 -0.152 3.275 1.00 0.00 N ATOM 1271 CA ASP A 83 15.298 -0.718 3.888 1.00 0.00 C ATOM 1272 C ASP A 83 16.470 0.253 3.791 1.00 0.00 C ATOM 1273 O ASP A 83 16.800 0.739 2.711 1.00 0.00 O ATOM 1274 CB ASP A 83 15.661 -2.045 3.217 1.00 0.00 C ATOM 1275 CG ASP A 83 16.604 -1.860 2.044 1.00 0.00 C ATOM 1276 OD1 ASP A 83 16.281 -1.057 1.144 1.00 0.00 O ATOM 1277 OD2 ASP A 83 17.665 -2.520 2.026 1.00 0.00 O ATOM 0 H ASP A 83 13.633 -0.771 2.614 1.00 0.00 H new ATOM 0 HA ASP A 83 15.086 -0.898 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.123 -2.706 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.751 -2.537 2.874 1.00 0.00 H new ATOM 1282 N GLY A 84 17.097 0.531 4.930 1.00 0.00 N ATOM 1283 CA GLY A 84 18.225 1.444 4.952 1.00 0.00 C ATOM 1284 C GLY A 84 17.908 2.740 5.672 1.00 0.00 C ATOM 1285 O GLY A 84 18.712 3.232 6.463 1.00 0.00 O ATOM 0 H GLY A 84 16.844 0.140 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.071 0.959 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.529 1.665 3.929 1.00 0.00 H new ATOM 1289 N TYR A 85 16.734 3.296 5.394 1.00 0.00 N ATOM 1290 CA TYR A 85 16.314 4.547 6.017 1.00 0.00 C ATOM 1291 C TYR A 85 15.367 4.283 7.183 1.00 0.00 C ATOM 1292 O TYR A 85 14.869 3.170 7.353 1.00 0.00 O ATOM 1293 CB TYR A 85 15.634 5.450 4.988 1.00 0.00 C ATOM 1294 CG TYR A 85 16.501 5.761 3.788 1.00 0.00 C ATOM 1295 CD1 TYR A 85 17.707 6.435 3.933 1.00 0.00 C ATOM 1296 CD2 TYR A 85 16.114 5.379 2.509 1.00 0.00 C ATOM 1297 CE1 TYR A 85 18.501 6.722 2.840 1.00 0.00 C ATOM 1298 CE2 TYR A 85 16.902 5.660 1.410 1.00 0.00 C ATOM 1299 CZ TYR A 85 18.094 6.332 1.581 1.00 0.00 C ATOM 1300 OH TYR A 85 18.884 6.614 0.490 1.00 0.00 O ATOM 0 H TYR A 85 16.056 2.901 4.742 1.00 0.00 H new ATOM 0 HA TYR A 85 17.202 5.049 6.400 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.716 4.972 4.648 1.00 0.00 H new ATOM 0 HB3 TYR A 85 15.347 6.384 5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 85 18.029 6.740 4.918 1.00 0.00 H new ATOM 0 HD2 TYR A 85 15.181 4.853 2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 85 19.435 7.249 2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 85 16.587 5.355 0.423 1.00 0.00 H new ATOM 0 HH TYR A 85 18.757 5.923 -0.193 1.00 0.00 H new ATOM 1310 N ALA A 86 15.123 5.315 7.984 1.00 0.00 N ATOM 1311 CA ALA A 86 14.234 5.197 9.134 1.00 0.00 C ATOM 1312 C ALA A 86 12.873 5.818 8.840 1.00 0.00 C ATOM 1313 O ALA A 86 12.032 5.944 9.731 1.00 0.00 O ATOM 1314 CB ALA A 86 14.862 5.850 10.355 1.00 0.00 C ATOM 0 H ALA A 86 15.528 6.242 7.858 1.00 0.00 H new ATOM 0 HA ALA A 86 14.084 4.137 9.340 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.188 5.755 11.206 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.808 5.359 10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.042 6.906 10.151 1.00 0.00 H new ATOM 1320 N LEU A 87 12.661 6.203 7.586 1.00 0.00 N ATOM 1321 CA LEU A 87 11.401 6.811 7.175 1.00 0.00 C ATOM 1322 C LEU A 87 10.336 5.747 6.934 1.00 0.00 C ATOM 1323 O LEU A 87 10.632 4.553 6.903 1.00 0.00 O ATOM 1324 CB LEU A 87 11.603 7.643 5.908 1.00 0.00 C ATOM 1325 CG LEU A 87 12.752 8.652 5.943 1.00 0.00 C ATOM 1326 CD1 LEU A 87 13.322 8.860 4.548 1.00 0.00 C ATOM 1327 CD2 LEU A 87 12.284 9.973 6.533 1.00 0.00 C ATOM 0 H LEU A 87 13.346 6.105 6.836 1.00 0.00 H new ATOM 0 HA LEU A 87 11.061 7.463 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.769 6.962 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.679 8.182 5.700 1.00 0.00 H new ATOM 0 HG LEU A 87 13.542 8.253 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.138 9.581 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.696 7.911 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.541 9.237 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.115 10.679 6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 87 11.476 10.378 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.925 9.811 7.549 1.00 0.00 H new ATOM 1339 N SER A 88 9.093 6.188 6.761 1.00 0.00 N ATOM 1340 CA SER A 88 7.983 5.274 6.523 1.00 0.00 C ATOM 1341 C SER A 88 6.696 6.043 6.240 1.00 0.00 C ATOM 1342 O SER A 88 6.476 7.129 6.780 1.00 0.00 O ATOM 1343 CB SER A 88 7.785 4.354 7.730 1.00 0.00 C ATOM 1344 OG SER A 88 7.441 5.097 8.887 1.00 0.00 O ATOM 0 H SER A 88 8.830 7.173 6.781 1.00 0.00 H new ATOM 0 HA SER A 88 8.224 4.669 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.001 3.629 7.513 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.699 3.790 7.915 1.00 0.00 H new ATOM 0 HG SER A 88 7.318 4.486 9.644 1.00 0.00 H new ATOM 1350 N LEU A 89 5.849 5.474 5.390 1.00 0.00 N ATOM 1351 CA LEU A 89 4.584 6.105 5.033 1.00 0.00 C ATOM 1352 C LEU A 89 3.429 5.494 5.820 1.00 0.00 C ATOM 1353 O LEU A 89 3.550 4.398 6.368 1.00 0.00 O ATOM 1354 CB LEU A 89 4.325 5.962 3.532 1.00 0.00 C ATOM 1355 CG LEU A 89 5.308 6.682 2.609 1.00 0.00 C ATOM 1356 CD1 LEU A 89 5.169 8.189 2.754 1.00 0.00 C ATOM 1357 CD2 LEU A 89 6.736 6.245 2.906 1.00 0.00 C ATOM 0 H LEU A 89 6.015 4.576 4.935 1.00 0.00 H new ATOM 0 HA LEU A 89 4.651 7.163 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.333 4.901 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.322 6.332 3.320 1.00 0.00 H new ATOM 0 HG LEU A 89 5.074 6.413 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.876 8.685 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.154 8.488 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.377 8.476 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.422 6.767 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.982 6.484 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.827 5.170 2.751 1.00 0.00 H new ATOM 1369 N SER A 90 2.310 6.208 5.870 1.00 0.00 N ATOM 1370 CA SER A 90 1.133 5.737 6.591 1.00 0.00 C ATOM 1371 C SER A 90 -0.115 5.833 5.718 1.00 0.00 C ATOM 1372 O SER A 90 -0.436 6.898 5.192 1.00 0.00 O ATOM 1373 CB SER A 90 0.936 6.547 7.873 1.00 0.00 C ATOM 1374 OG SER A 90 1.697 6.006 8.941 1.00 0.00 O ATOM 0 H SER A 90 2.193 7.116 5.420 1.00 0.00 H new ATOM 0 HA SER A 90 1.293 4.691 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.230 7.583 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.120 6.556 8.143 1.00 0.00 H new ATOM 0 HG SER A 90 1.555 6.543 9.749 1.00 0.00 H new ATOM 1380 N ALA A 91 -0.813 4.712 5.571 1.00 0.00 N ATOM 1381 CA ALA A 91 -2.027 4.670 4.764 1.00 0.00 C ATOM 1382 C ALA A 91 -3.019 3.652 5.317 1.00 0.00 C ATOM 1383 O ALA A 91 -2.711 2.466 5.430 1.00 0.00 O ATOM 1384 CB ALA A 91 -1.687 4.346 3.317 1.00 0.00 C ATOM 0 H ALA A 91 -0.559 3.822 5.999 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.495 5.653 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.602 4.318 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.022 5.112 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.193 3.376 3.268 1.00 0.00 H new ATOM 1390 N LYS A 92 -4.212 4.125 5.664 1.00 0.00 N ATOM 1391 CA LYS A 92 -5.250 3.257 6.206 1.00 0.00 C ATOM 1392 C LYS A 92 -6.141 2.713 5.093 1.00 0.00 C ATOM 1393 O LYS A 92 -6.656 3.471 4.270 1.00 0.00 O ATOM 1394 CB LYS A 92 -6.099 4.018 7.227 1.00 0.00 C ATOM 1395 CG LYS A 92 -7.329 3.255 7.686 1.00 0.00 C ATOM 1396 CD LYS A 92 -8.014 3.948 8.851 1.00 0.00 C ATOM 1397 CE LYS A 92 -9.095 3.072 9.464 1.00 0.00 C ATOM 1398 NZ LYS A 92 -8.521 1.888 10.160 1.00 0.00 N ATOM 0 H LYS A 92 -4.483 5.105 5.579 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.763 2.417 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.483 4.254 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.412 4.967 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.029 3.159 6.856 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.043 2.245 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.275 4.200 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.454 4.885 8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.681 3.660 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.778 2.738 8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.235 1.480 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.237 1.176 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.690 2.180 10.713 1.00 0.00 H new ATOM 1412 N LEU A 93 -6.320 1.397 5.074 1.00 0.00 N ATOM 1413 CA LEU A 93 -7.151 0.752 4.063 1.00 0.00 C ATOM 1414 C LEU A 93 -8.582 0.579 4.562 1.00 0.00 C ATOM 1415 O LEU A 93 -8.833 -0.167 5.508 1.00 0.00 O ATOM 1416 CB LEU A 93 -6.563 -0.607 3.683 1.00 0.00 C ATOM 1417 CG LEU A 93 -7.173 -1.285 2.455 1.00 0.00 C ATOM 1418 CD1 LEU A 93 -6.138 -2.148 1.752 1.00 0.00 C ATOM 1419 CD2 LEU A 93 -8.384 -2.116 2.852 1.00 0.00 C ATOM 0 H LEU A 93 -5.901 0.755 5.747 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.169 1.392 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.494 -0.482 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.672 -1.278 4.535 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.501 -0.511 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.591 -2.622 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.302 -1.526 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.778 -2.916 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.805 -2.591 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.081 -2.882 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.134 -1.471 3.309 1.00 0.00 H new ATOM 1431 N ASN A 94 -9.515 1.273 3.920 1.00 0.00 N ATOM 1432 CA ASN A 94 -10.922 1.194 4.297 1.00 0.00 C ATOM 1433 C ASN A 94 -11.635 0.098 3.513 1.00 0.00 C ATOM 1434 O ASN A 94 -11.717 0.150 2.286 1.00 0.00 O ATOM 1435 CB ASN A 94 -11.611 2.539 4.059 1.00 0.00 C ATOM 1436 CG ASN A 94 -11.408 3.506 5.209 1.00 0.00 C ATOM 1437 OD1 ASN A 94 -12.343 3.812 5.950 1.00 0.00 O ATOM 1438 ND2 ASN A 94 -10.182 3.993 5.364 1.00 0.00 N ATOM 0 H ASN A 94 -9.323 1.897 3.136 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.975 0.949 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.225 2.984 3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.678 2.376 3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.985 4.648 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.437 3.712 4.726 1.00 0.00 H new ATOM 1445 N PHE A 95 -12.151 -0.895 4.231 1.00 0.00 N ATOM 1446 CA PHE A 95 -12.858 -2.005 3.602 1.00 0.00 C ATOM 1447 C PHE A 95 -14.367 -1.862 3.786 1.00 0.00 C ATOM 1448 O PHE A 95 -14.874 -1.914 4.907 1.00 0.00 O ATOM 1449 CB PHE A 95 -12.385 -3.336 4.189 1.00 0.00 C ATOM 1450 CG PHE A 95 -13.201 -4.514 3.740 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -12.940 -5.133 2.528 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -14.232 -5.000 4.529 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -13.690 -6.218 2.112 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -14.984 -6.084 4.118 1.00 0.00 C ATOM 1455 CZ PHE A 95 -14.714 -6.692 2.908 1.00 0.00 C ATOM 0 H PHE A 95 -12.093 -0.954 5.248 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.636 -1.987 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.344 -3.498 3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.417 -3.276 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -12.142 -4.764 1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -14.450 -4.526 5.475 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -13.475 -6.694 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -15.783 -6.456 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.303 -7.537 2.584 1.00 0.00 H new ATOM 1465 N LEU A 96 -15.076 -1.684 2.678 1.00 0.00 N ATOM 1466 CA LEU A 96 -16.527 -1.533 2.715 1.00 0.00 C ATOM 1467 C LEU A 96 -17.220 -2.873 2.483 1.00 0.00 C ATOM 1468 O LEU A 96 -16.904 -3.588 1.533 1.00 0.00 O ATOM 1469 CB LEU A 96 -16.982 -0.522 1.663 1.00 0.00 C ATOM 1470 CG LEU A 96 -18.334 0.147 1.914 1.00 0.00 C ATOM 1471 CD1 LEU A 96 -19.469 -0.838 1.677 1.00 0.00 C ATOM 1472 CD2 LEU A 96 -18.397 0.707 3.328 1.00 0.00 C ATOM 0 H LEU A 96 -14.671 -1.641 1.743 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.804 -1.168 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.223 0.257 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.023 -1.026 0.697 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.445 0.973 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -20.423 -0.344 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -19.435 -1.191 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.363 -1.685 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.366 1.179 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.264 -0.102 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.606 1.445 3.463 1.00 0.00 H new ATOM 1484 N GLU A 97 -18.166 -3.204 3.356 1.00 0.00 N ATOM 1485 CA GLU A 97 -18.904 -4.457 3.244 1.00 0.00 C ATOM 1486 C GLU A 97 -20.340 -4.204 2.795 1.00 0.00 C ATOM 1487 O GLU A 97 -21.009 -3.300 3.296 1.00 0.00 O ATOM 1488 CB GLU A 97 -18.899 -5.198 4.583 1.00 0.00 C ATOM 1489 CG GLU A 97 -19.760 -6.450 4.588 1.00 0.00 C ATOM 1490 CD GLU A 97 -19.324 -7.454 5.637 1.00 0.00 C ATOM 1491 OE1 GLU A 97 -18.214 -8.011 5.500 1.00 0.00 O ATOM 1492 OE2 GLU A 97 -20.092 -7.683 6.595 1.00 0.00 O ATOM 0 H GLU A 97 -18.439 -2.623 4.148 1.00 0.00 H new ATOM 0 HA GLU A 97 -18.411 -5.074 2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.874 -5.471 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -19.249 -4.523 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.799 -6.171 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.720 -6.918 3.604 1.00 0.00 H new