USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= -0.174 USER MOD Set 2.1: A 18 SER OG : rot -35:sc= 0.045 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -1.87 K(o=-1.8,f=-0.9) USER MOD Single : A 13 HIS : no HD1:sc= -2.05 X(o=-2.1,f=-2.3) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 34:sc= 1.3 USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.153) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 36 GLN : amide:sc= -2.97! C(o=-3!,f=-1.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0.191 (180deg=0.173) USER MOD Single : A 44 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 57 ASN : amide:sc= -7.81! C(o=-7.8!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 97 N LEU A 8 -0.676 -3.052 18.106 1.00 0.00 N ATOM 98 CA LEU A 8 0.590 -3.724 18.518 1.00 0.00 C ATOM 99 C LEU A 8 0.327 -4.673 19.691 1.00 0.00 C ATOM 100 O LEU A 8 -0.611 -4.499 20.443 1.00 0.00 O ATOM 101 CB LEU A 8 1.522 -2.589 18.943 1.00 0.00 C ATOM 102 CG LEU A 8 1.779 -1.667 17.749 1.00 0.00 C ATOM 103 CD1 LEU A 8 2.245 -0.300 18.252 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.861 -2.279 16.857 1.00 0.00 C ATOM 0 HA LEU A 8 1.020 -4.323 17.715 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.076 -2.025 19.762 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.464 -2.996 19.312 1.00 0.00 H new ATOM 0 HG LEU A 8 0.860 -1.549 17.176 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.428 0.357 17.402 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.474 0.136 18.888 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.165 -0.417 18.825 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.045 -1.623 16.006 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.781 -2.397 17.430 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.529 -3.253 16.499 1.00 0.00 H new ATOM 116 N VAL A 9 1.147 -5.674 19.853 1.00 0.00 N ATOM 117 CA VAL A 9 0.942 -6.633 20.976 1.00 0.00 C ATOM 118 C VAL A 9 2.290 -7.152 21.483 1.00 0.00 C ATOM 119 O VAL A 9 3.315 -6.961 20.860 1.00 0.00 O ATOM 120 CB VAL A 9 0.118 -7.774 20.378 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.304 -7.284 20.098 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.764 -8.240 19.072 1.00 0.00 C ATOM 0 H VAL A 9 1.951 -5.870 19.256 1.00 0.00 H new ATOM 0 HA VAL A 9 0.441 -6.171 21.826 1.00 0.00 H new ATOM 0 HB VAL A 9 0.083 -8.605 21.082 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.892 -8.097 19.672 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.765 -6.953 21.029 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.270 -6.453 19.394 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.177 -9.053 18.646 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.799 -7.409 18.367 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.777 -8.590 19.272 1.00 0.00 H new ATOM 132 N ILE A 10 2.295 -7.812 22.610 1.00 0.00 N ATOM 133 CA ILE A 10 3.574 -8.349 23.156 1.00 0.00 C ATOM 134 C ILE A 10 3.564 -9.879 23.100 1.00 0.00 C ATOM 135 O ILE A 10 2.564 -10.510 23.378 1.00 0.00 O ATOM 136 CB ILE A 10 3.619 -7.862 24.605 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.604 -6.332 24.630 1.00 0.00 C ATOM 138 CG2 ILE A 10 4.898 -8.369 25.276 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.679 -5.796 23.684 1.00 0.00 C ATOM 0 H ILE A 10 1.468 -8.002 23.176 1.00 0.00 H new ATOM 0 HA ILE A 10 4.443 -8.015 22.589 1.00 0.00 H new ATOM 0 HB ILE A 10 2.751 -8.244 25.142 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.623 -5.962 24.330 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.784 -5.972 25.643 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.929 -8.022 26.309 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.910 -9.459 25.259 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.766 -7.988 24.738 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.669 -4.706 23.702 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.657 -6.155 24.004 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.479 -6.144 22.671 1.00 0.00 H new ATOM 151 N ALA A 11 4.665 -10.480 22.741 1.00 0.00 N ATOM 152 CA ALA A 11 4.705 -11.968 22.667 1.00 0.00 C ATOM 153 C ALA A 11 4.901 -12.567 24.060 1.00 0.00 C ATOM 154 O ALA A 11 5.922 -12.378 24.689 1.00 0.00 O ATOM 155 CB ALA A 11 5.904 -12.285 21.773 1.00 0.00 C ATOM 0 H ALA A 11 5.535 -10.008 22.497 1.00 0.00 H new ATOM 0 HA ALA A 11 3.778 -12.386 22.274 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.004 -13.365 21.667 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.754 -11.837 20.791 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.810 -11.879 22.223 1.00 0.00 H new ATOM 161 N LEU A 12 3.937 -13.298 24.548 1.00 0.00 N ATOM 162 CA LEU A 12 4.084 -13.914 25.896 1.00 0.00 C ATOM 163 C LEU A 12 5.044 -15.101 25.811 1.00 0.00 C ATOM 164 O LEU A 12 5.600 -15.541 26.797 1.00 0.00 O ATOM 165 CB LEU A 12 2.679 -14.380 26.279 1.00 0.00 C ATOM 166 CG LEU A 12 1.709 -13.200 26.192 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.282 -13.695 26.427 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.073 -12.164 27.257 1.00 0.00 C ATOM 0 H LEU A 12 3.056 -13.495 24.073 1.00 0.00 H new ATOM 0 HA LEU A 12 4.489 -13.221 26.633 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.356 -15.180 25.613 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.682 -14.788 27.290 1.00 0.00 H new ATOM 0 HG LEU A 12 1.776 -12.745 25.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.409 -12.855 26.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.024 -14.434 25.669 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.213 -14.150 27.415 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.383 -11.322 27.197 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.005 -12.619 28.245 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.091 -11.812 27.089 1.00 0.00 H new ATOM 180 N HIS A 13 5.239 -15.619 24.629 1.00 0.00 N ATOM 181 CA HIS A 13 6.163 -16.776 24.457 1.00 0.00 C ATOM 182 C HIS A 13 6.653 -16.833 23.008 1.00 0.00 C ATOM 183 O HIS A 13 5.919 -16.540 22.087 1.00 0.00 O ATOM 184 CB HIS A 13 5.317 -18.006 24.787 1.00 0.00 C ATOM 185 CG HIS A 13 5.216 -18.160 26.279 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.333 -18.318 27.084 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.137 -18.183 27.127 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.905 -18.428 28.354 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.574 -18.353 28.437 1.00 0.00 N ATOM 0 H HIS A 13 4.796 -15.289 23.771 1.00 0.00 H new ATOM 0 HA HIS A 13 7.045 -16.708 25.093 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.322 -17.903 24.353 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.766 -18.897 24.348 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.105 -18.084 26.823 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.558 -18.561 29.204 1.00 0.00 H new ATOM 0 HE2 HIS A 13 4.001 -18.408 29.279 1.00 0.00 H new ATOM 197 N SER A 14 7.884 -17.210 22.793 1.00 0.00 N ATOM 198 CA SER A 14 8.402 -17.282 21.397 1.00 0.00 C ATOM 199 C SER A 14 7.552 -18.253 20.572 1.00 0.00 C ATOM 200 O SER A 14 7.077 -19.252 21.075 1.00 0.00 O ATOM 201 CB SER A 14 9.834 -17.801 21.532 1.00 0.00 C ATOM 202 OG SER A 14 9.808 -19.192 21.817 1.00 0.00 O ATOM 0 H SER A 14 8.551 -17.470 23.520 1.00 0.00 H new ATOM 0 HA SER A 14 8.366 -16.318 20.890 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.387 -17.618 20.611 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.353 -17.266 22.327 1.00 0.00 H new ATOM 0 HG SER A 14 10.726 -19.526 21.902 1.00 0.00 H new ATOM 208 N TYR A 15 7.358 -17.974 19.312 1.00 0.00 N ATOM 209 CA TYR A 15 6.539 -18.894 18.471 1.00 0.00 C ATOM 210 C TYR A 15 7.441 -19.701 17.534 1.00 0.00 C ATOM 211 O TYR A 15 8.607 -19.401 17.367 1.00 0.00 O ATOM 212 CB TYR A 15 5.607 -17.985 17.671 1.00 0.00 C ATOM 213 CG TYR A 15 4.718 -18.829 16.790 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.566 -19.418 17.323 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.047 -19.027 15.444 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.741 -20.204 16.509 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.222 -19.813 14.629 1.00 0.00 C ATOM 218 CZ TYR A 15 3.068 -20.400 15.162 1.00 0.00 C ATOM 219 OH TYR A 15 2.254 -21.174 14.360 1.00 0.00 O ATOM 0 H TYR A 15 7.728 -17.155 18.830 1.00 0.00 H new ATOM 0 HA TYR A 15 5.983 -19.614 19.072 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.001 -17.382 18.347 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.190 -17.293 17.062 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.313 -19.266 18.362 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.937 -18.574 15.034 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.852 -20.659 16.921 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.476 -19.966 13.590 1.00 0.00 H new ATOM 0 HH TYR A 15 1.321 -21.065 14.639 1.00 0.00 H new ATOM 229 N GLU A 16 6.910 -20.722 16.919 1.00 0.00 N ATOM 230 CA GLU A 16 7.735 -21.549 15.993 1.00 0.00 C ATOM 231 C GLU A 16 7.207 -21.418 14.562 1.00 0.00 C ATOM 232 O GLU A 16 6.033 -21.609 14.314 1.00 0.00 O ATOM 233 CB GLU A 16 7.576 -22.985 16.493 1.00 0.00 C ATOM 234 CG GLU A 16 8.505 -23.215 17.687 1.00 0.00 C ATOM 235 CD GLU A 16 8.637 -24.717 17.949 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.638 -25.327 18.294 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.732 -25.231 17.800 1.00 0.00 O ATOM 0 H GLU A 16 5.939 -21.020 17.018 1.00 0.00 H new ATOM 0 HA GLU A 16 8.779 -21.238 15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.541 -23.168 16.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.812 -23.688 15.694 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.485 -22.782 17.487 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.110 -22.714 18.571 1.00 0.00 H new ATOM 244 N PRO A 17 8.096 -21.089 13.666 1.00 0.00 N ATOM 245 CA PRO A 17 7.668 -20.935 12.253 1.00 0.00 C ATOM 246 C PRO A 17 7.548 -22.304 11.580 1.00 0.00 C ATOM 247 O PRO A 17 8.492 -22.806 11.003 1.00 0.00 O ATOM 248 CB PRO A 17 8.786 -20.122 11.613 1.00 0.00 C ATOM 249 CG PRO A 17 9.993 -20.396 12.448 1.00 0.00 C ATOM 250 CD PRO A 17 9.514 -20.733 13.837 1.00 0.00 C ATOM 0 HA PRO A 17 6.694 -20.455 12.158 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.947 -20.420 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.545 -19.059 11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.569 -21.221 12.030 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.650 -19.527 12.469 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.082 -21.561 14.262 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.631 -19.886 14.513 1.00 0.00 H new ATOM 258 N SER A 18 6.397 -22.913 11.648 1.00 0.00 N ATOM 259 CA SER A 18 6.228 -24.248 11.009 1.00 0.00 C ATOM 260 C SER A 18 6.024 -24.081 9.502 1.00 0.00 C ATOM 261 O SER A 18 6.048 -25.038 8.752 1.00 0.00 O ATOM 262 CB SER A 18 4.976 -24.841 11.657 1.00 0.00 C ATOM 263 OG SER A 18 3.828 -24.148 11.190 1.00 0.00 O ATOM 0 H SER A 18 5.569 -22.546 12.117 1.00 0.00 H new ATOM 0 HA SER A 18 7.099 -24.889 11.146 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.897 -25.901 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.044 -24.764 12.742 1.00 0.00 H new ATOM 0 HG SER A 18 4.049 -23.203 11.056 1.00 0.00 H new ATOM 269 N HIS A 19 5.826 -22.872 9.053 1.00 0.00 N ATOM 270 CA HIS A 19 5.625 -22.641 7.595 1.00 0.00 C ATOM 271 C HIS A 19 6.603 -21.576 7.092 1.00 0.00 C ATOM 272 O HIS A 19 7.401 -21.051 7.842 1.00 0.00 O ATOM 273 CB HIS A 19 4.182 -22.147 7.468 1.00 0.00 C ATOM 274 CG HIS A 19 3.243 -23.216 7.956 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.406 -24.551 7.623 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.126 -23.161 8.753 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.412 -25.240 8.212 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.603 -24.441 8.914 1.00 0.00 N ATOM 0 H HIS A 19 5.795 -22.034 9.633 1.00 0.00 H new ATOM 0 HA HIS A 19 5.801 -23.540 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.046 -21.235 8.049 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.961 -21.899 6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.716 -22.262 9.188 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.283 -26.309 8.128 1.00 0.00 H new ATOM 0 HE2 HIS A 19 0.780 -24.711 9.452 1.00 0.00 H new ATOM 286 N ASP A 20 6.546 -21.252 5.830 1.00 0.00 N ATOM 287 CA ASP A 20 7.474 -20.221 5.285 1.00 0.00 C ATOM 288 C ASP A 20 6.878 -18.821 5.467 1.00 0.00 C ATOM 289 O ASP A 20 7.456 -17.834 5.060 1.00 0.00 O ATOM 290 CB ASP A 20 7.608 -20.554 3.798 1.00 0.00 C ATOM 291 CG ASP A 20 8.178 -21.965 3.641 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.744 -22.464 4.598 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.039 -22.522 2.564 1.00 0.00 O ATOM 0 H ASP A 20 5.898 -21.656 5.153 1.00 0.00 H new ATOM 0 HA ASP A 20 8.438 -20.225 5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.636 -20.487 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.260 -19.830 3.310 1.00 0.00 H new ATOM 298 N GLY A 21 5.726 -18.730 6.075 1.00 0.00 N ATOM 299 CA GLY A 21 5.098 -17.394 6.278 1.00 0.00 C ATOM 300 C GLY A 21 4.832 -17.165 7.769 1.00 0.00 C ATOM 301 O GLY A 21 4.592 -16.055 8.200 1.00 0.00 O ATOM 0 H GLY A 21 5.194 -19.521 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.752 -16.612 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.164 -17.333 5.719 1.00 0.00 H new ATOM 305 N ASP A 22 4.870 -18.202 8.560 1.00 0.00 N ATOM 306 CA ASP A 22 4.616 -18.032 10.019 1.00 0.00 C ATOM 307 C ASP A 22 5.752 -17.238 10.668 1.00 0.00 C ATOM 308 O ASP A 22 6.861 -17.198 10.170 1.00 0.00 O ATOM 309 CB ASP A 22 4.564 -19.452 10.586 1.00 0.00 C ATOM 310 CG ASP A 22 3.236 -20.106 10.196 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.396 -19.415 9.646 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.083 -21.288 10.459 1.00 0.00 O ATOM 0 H ASP A 22 5.065 -19.157 8.260 1.00 0.00 H new ATOM 0 HA ASP A 22 3.694 -17.483 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.398 -20.040 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.665 -19.426 11.671 1.00 0.00 H new ATOM 317 N LEU A 23 5.486 -16.606 11.778 1.00 0.00 N ATOM 318 CA LEU A 23 6.548 -15.816 12.464 1.00 0.00 C ATOM 319 C LEU A 23 6.840 -16.423 13.841 1.00 0.00 C ATOM 320 O LEU A 23 5.970 -16.518 14.683 1.00 0.00 O ATOM 321 CB LEU A 23 5.967 -14.408 12.601 1.00 0.00 C ATOM 322 CG LEU A 23 7.057 -13.453 13.092 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.281 -13.566 12.180 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.530 -12.017 13.061 1.00 0.00 C ATOM 0 H LEU A 23 4.577 -16.602 12.241 1.00 0.00 H new ATOM 0 HA LEU A 23 7.489 -15.811 11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.577 -14.069 11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.131 -14.414 13.301 1.00 0.00 H new ATOM 0 HG LEU A 23 7.337 -13.715 14.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.058 -12.886 12.529 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.657 -14.589 12.201 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.000 -13.304 11.160 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.307 -11.337 13.411 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.250 -11.754 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.657 -11.936 13.709 1.00 0.00 H new ATOM 336 N GLY A 24 8.057 -16.836 14.072 1.00 0.00 N ATOM 337 CA GLY A 24 8.403 -17.444 15.391 1.00 0.00 C ATOM 338 C GLY A 24 9.043 -16.391 16.297 1.00 0.00 C ATOM 339 O GLY A 24 10.118 -16.587 16.827 1.00 0.00 O ATOM 0 H GLY A 24 8.827 -16.779 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.506 -17.846 15.863 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.089 -18.279 15.248 1.00 0.00 H new ATOM 343 N PHE A 25 8.394 -15.273 16.477 1.00 0.00 N ATOM 344 CA PHE A 25 8.967 -14.203 17.346 1.00 0.00 C ATOM 345 C PHE A 25 9.444 -14.780 18.683 1.00 0.00 C ATOM 346 O PHE A 25 9.161 -15.912 19.021 1.00 0.00 O ATOM 347 CB PHE A 25 7.814 -13.222 17.569 1.00 0.00 C ATOM 348 CG PHE A 25 6.615 -13.958 18.125 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.663 -14.508 17.257 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.451 -14.082 19.509 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.550 -15.183 17.773 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.336 -14.754 20.025 1.00 0.00 C ATOM 353 CZ PHE A 25 4.387 -15.304 19.158 1.00 0.00 C ATOM 0 H PHE A 25 7.490 -15.053 16.059 1.00 0.00 H new ATOM 0 HA PHE A 25 9.835 -13.728 16.888 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.122 -12.436 18.259 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.551 -12.737 16.629 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.788 -14.411 16.189 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.185 -13.659 20.180 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.818 -15.610 17.103 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.209 -14.847 21.093 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.528 -15.822 19.557 1.00 0.00 H new ATOM 363 N GLU A 26 10.168 -14.002 19.443 1.00 0.00 N ATOM 364 CA GLU A 26 10.671 -14.493 20.759 1.00 0.00 C ATOM 365 C GLU A 26 9.744 -14.033 21.889 1.00 0.00 C ATOM 366 O GLU A 26 8.790 -13.310 21.671 1.00 0.00 O ATOM 367 CB GLU A 26 12.054 -13.860 20.912 1.00 0.00 C ATOM 368 CG GLU A 26 12.968 -14.350 19.789 1.00 0.00 C ATOM 369 CD GLU A 26 14.375 -13.784 19.992 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.523 -12.905 20.824 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.279 -14.239 19.312 1.00 0.00 O ATOM 0 H GLU A 26 10.433 -13.045 19.208 1.00 0.00 H new ATOM 0 HA GLU A 26 10.710 -15.581 20.805 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.973 -12.773 20.881 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.479 -14.121 21.881 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.000 -15.439 19.781 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.574 -14.036 18.822 1.00 0.00 H new ATOM 378 N LYS A 27 10.024 -14.439 23.097 1.00 0.00 N ATOM 379 CA LYS A 27 9.165 -14.024 24.243 1.00 0.00 C ATOM 380 C LYS A 27 9.375 -12.540 24.549 1.00 0.00 C ATOM 381 O LYS A 27 10.486 -12.085 24.736 1.00 0.00 O ATOM 382 CB LYS A 27 9.630 -14.886 25.418 1.00 0.00 C ATOM 383 CG LYS A 27 8.698 -14.670 26.612 1.00 0.00 C ATOM 384 CD LYS A 27 9.129 -15.579 27.765 1.00 0.00 C ATOM 385 CE LYS A 27 8.184 -15.380 28.953 1.00 0.00 C ATOM 386 NZ LYS A 27 8.651 -14.125 29.607 1.00 0.00 N ATOM 0 H LYS A 27 10.811 -15.041 23.341 1.00 0.00 H new ATOM 0 HA LYS A 27 8.103 -14.158 24.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.633 -15.938 25.132 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.653 -14.626 25.690 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.728 -13.627 26.926 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.669 -14.888 26.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.114 -16.621 27.446 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.153 -15.350 28.059 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.149 -15.293 28.624 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.230 -16.225 29.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.850 -14.310 30.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.517 -13.791 29.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.912 -13.397 29.529 1.00 0.00 H new ATOM 400 N GLY A 28 8.314 -11.781 24.601 1.00 0.00 N ATOM 401 CA GLY A 28 8.452 -10.328 24.893 1.00 0.00 C ATOM 402 C GLY A 28 8.634 -9.562 23.583 1.00 0.00 C ATOM 403 O GLY A 28 8.657 -8.348 23.562 1.00 0.00 O ATOM 0 H GLY A 28 7.358 -12.106 24.454 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.569 -9.966 25.419 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.306 -10.157 25.549 1.00 0.00 H new ATOM 407 N GLU A 29 8.763 -10.259 22.485 1.00 0.00 N ATOM 408 CA GLU A 29 8.943 -9.560 21.183 1.00 0.00 C ATOM 409 C GLU A 29 7.678 -8.774 20.830 1.00 0.00 C ATOM 410 O GLU A 29 6.581 -9.296 20.869 1.00 0.00 O ATOM 411 CB GLU A 29 9.187 -10.673 20.163 1.00 0.00 C ATOM 412 CG GLU A 29 9.891 -10.090 18.935 1.00 0.00 C ATOM 413 CD GLU A 29 10.039 -11.178 17.869 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.874 -12.048 18.051 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.314 -11.123 16.889 1.00 0.00 O ATOM 0 H GLU A 29 8.751 -11.278 22.435 1.00 0.00 H new ATOM 0 HA GLU A 29 9.766 -8.846 21.207 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.797 -11.460 20.606 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.241 -11.129 19.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.318 -9.252 18.538 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.871 -9.703 19.214 1.00 0.00 H new ATOM 422 N GLN A 30 7.821 -7.524 20.485 1.00 0.00 N ATOM 423 CA GLN A 30 6.624 -6.711 20.129 1.00 0.00 C ATOM 424 C GLN A 30 6.192 -7.024 18.696 1.00 0.00 C ATOM 425 O GLN A 30 7.006 -7.131 17.801 1.00 0.00 O ATOM 426 CB GLN A 30 7.082 -5.257 20.249 1.00 0.00 C ATOM 427 CG GLN A 30 5.890 -4.325 20.024 1.00 0.00 C ATOM 428 CD GLN A 30 6.374 -2.874 19.999 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.185 -2.506 19.172 1.00 0.00 O ATOM 430 NE2 GLN A 30 5.907 -2.028 20.875 1.00 0.00 N ATOM 0 H GLN A 30 8.713 -7.031 20.434 1.00 0.00 H new ATOM 0 HA GLN A 30 5.770 -6.920 20.774 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.514 -5.081 21.234 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.863 -5.049 19.517 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.395 -4.571 19.084 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.154 -4.460 20.817 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.226 -2.336 21.569 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.222 -1.058 20.866 1.00 0.00 H new ATOM 439 N LEU A 31 4.916 -7.180 18.470 1.00 0.00 N ATOM 440 CA LEU A 31 4.440 -7.493 17.092 1.00 0.00 C ATOM 441 C LEU A 31 3.159 -6.718 16.778 1.00 0.00 C ATOM 442 O LEU A 31 2.478 -6.235 17.661 1.00 0.00 O ATOM 443 CB LEU A 31 4.156 -8.995 17.100 1.00 0.00 C ATOM 444 CG LEU A 31 5.441 -9.763 17.412 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.094 -11.213 17.754 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.362 -9.735 16.190 1.00 0.00 C ATOM 0 H LEU A 31 4.185 -7.105 19.177 1.00 0.00 H new ATOM 0 HA LEU A 31 5.175 -7.215 16.336 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.393 -9.226 17.844 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.762 -9.305 16.132 1.00 0.00 H new ATOM 0 HG LEU A 31 5.947 -9.299 18.258 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.008 -11.763 17.977 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.437 -11.235 18.623 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.590 -11.676 16.906 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.278 -10.282 16.412 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.857 -10.200 15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.607 -8.702 15.943 1.00 0.00 H new ATOM 458 N ARG A 32 2.822 -6.608 15.523 1.00 0.00 N ATOM 459 CA ARG A 32 1.580 -5.879 15.141 1.00 0.00 C ATOM 460 C ARG A 32 0.556 -6.870 14.579 1.00 0.00 C ATOM 461 O ARG A 32 0.897 -7.765 13.836 1.00 0.00 O ATOM 462 CB ARG A 32 2.019 -4.885 14.064 1.00 0.00 C ATOM 463 CG ARG A 32 0.797 -4.390 13.290 1.00 0.00 C ATOM 464 CD ARG A 32 1.192 -3.193 12.424 1.00 0.00 C ATOM 465 NE ARG A 32 -0.058 -2.396 12.281 1.00 0.00 N ATOM 466 CZ ARG A 32 0.009 -1.111 12.059 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.851 -0.644 11.179 1.00 0.00 N ATOM 468 NH2 ARG A 32 -0.765 -0.293 12.718 1.00 0.00 N ATOM 0 H ARG A 32 3.355 -6.993 14.743 1.00 0.00 H new ATOM 0 HA ARG A 32 1.111 -5.374 15.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.537 -4.042 14.523 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.725 -5.360 13.383 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.401 -5.190 12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.005 -4.106 13.983 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.982 -2.608 12.895 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.569 -3.515 11.453 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.966 -2.854 12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.457 -1.283 10.664 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.903 0.360 11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.423 -0.657 13.407 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.712 0.711 12.544 1.00 0.00 H new ATOM 482 N ILE A 33 -0.693 -6.724 14.931 1.00 0.00 N ATOM 483 CA ILE A 33 -1.726 -7.669 14.413 1.00 0.00 C ATOM 484 C ILE A 33 -2.464 -7.052 13.221 1.00 0.00 C ATOM 485 O ILE A 33 -3.437 -6.343 13.380 1.00 0.00 O ATOM 486 CB ILE A 33 -2.687 -7.887 15.582 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.952 -8.598 16.722 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.864 -8.749 15.121 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.921 -8.843 17.880 1.00 0.00 C ATOM 0 H ILE A 33 -1.043 -5.995 15.552 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.288 -8.604 14.064 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.056 -6.923 15.932 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.543 -9.545 16.370 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.111 -7.993 17.060 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.549 -8.905 15.954 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.388 -8.245 14.309 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.494 -9.713 14.771 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.398 -9.349 18.691 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.309 -7.889 18.238 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.748 -9.465 17.537 1.00 0.00 H new ATOM 501 N LEU A 34 -2.000 -7.307 12.027 1.00 0.00 N ATOM 502 CA LEU A 34 -2.666 -6.725 10.826 1.00 0.00 C ATOM 503 C LEU A 34 -3.921 -7.523 10.456 1.00 0.00 C ATOM 504 O LEU A 34 -4.806 -7.024 9.791 1.00 0.00 O ATOM 505 CB LEU A 34 -1.624 -6.825 9.711 1.00 0.00 C ATOM 506 CG LEU A 34 -0.413 -5.961 10.065 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.592 -5.998 8.913 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.866 -4.519 10.301 1.00 0.00 C ATOM 0 H LEU A 34 -1.189 -7.893 11.831 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.991 -5.699 11.000 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.317 -7.862 9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.055 -6.496 8.765 1.00 0.00 H new ATOM 0 HG LEU A 34 0.057 -6.346 10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.456 -5.382 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.915 -7.025 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.122 -5.613 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.003 -3.903 10.553 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.336 -4.132 9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.583 -4.493 11.122 1.00 0.00 H new ATOM 520 N GLU A 35 -4.011 -8.755 10.879 1.00 0.00 N ATOM 521 CA GLU A 35 -5.217 -9.564 10.541 1.00 0.00 C ATOM 522 C GLU A 35 -5.668 -10.376 11.758 1.00 0.00 C ATOM 523 O GLU A 35 -4.879 -11.033 12.408 1.00 0.00 O ATOM 524 CB GLU A 35 -4.771 -10.490 9.407 1.00 0.00 C ATOM 525 CG GLU A 35 -5.993 -11.198 8.818 1.00 0.00 C ATOM 526 CD GLU A 35 -5.534 -12.272 7.830 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.339 -12.368 7.602 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.384 -12.981 7.317 1.00 0.00 O ATOM 0 H GLU A 35 -3.307 -9.234 11.440 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.062 -8.942 10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.262 -9.916 8.633 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.057 -11.224 9.781 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.583 -11.650 9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.637 -10.477 8.314 1.00 0.00 H new ATOM 535 N GLN A 36 -6.935 -10.332 12.073 1.00 0.00 N ATOM 536 CA GLN A 36 -7.441 -11.096 13.248 1.00 0.00 C ATOM 537 C GLN A 36 -8.608 -11.997 12.832 1.00 0.00 C ATOM 538 O GLN A 36 -9.692 -11.911 13.374 1.00 0.00 O ATOM 539 CB GLN A 36 -7.916 -10.031 14.237 1.00 0.00 C ATOM 540 CG GLN A 36 -6.738 -9.139 14.635 1.00 0.00 C ATOM 541 CD GLN A 36 -7.247 -7.975 15.488 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.394 -7.587 15.385 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.438 -7.396 16.332 1.00 0.00 N ATOM 0 H GLN A 36 -7.642 -9.799 11.566 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.677 -11.743 13.679 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.706 -9.429 13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.341 -10.505 15.121 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.001 -9.718 15.192 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.238 -8.760 13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.475 -7.720 16.420 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.769 -6.619 16.904 1.00 0.00 H new ATOM 552 N SER A 37 -8.397 -12.859 11.874 1.00 0.00 N ATOM 553 CA SER A 37 -9.499 -13.760 11.428 1.00 0.00 C ATOM 554 C SER A 37 -9.142 -15.221 11.720 1.00 0.00 C ATOM 555 O SER A 37 -7.987 -15.599 11.728 1.00 0.00 O ATOM 556 CB SER A 37 -9.616 -13.528 9.922 1.00 0.00 C ATOM 557 OG SER A 37 -10.694 -14.296 9.407 1.00 0.00 O ATOM 0 H SER A 37 -7.512 -12.978 11.382 1.00 0.00 H new ATOM 0 HA SER A 37 -10.435 -13.553 11.947 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.779 -12.470 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.686 -13.808 9.427 1.00 0.00 H new ATOM 0 HG SER A 37 -10.770 -14.146 8.442 1.00 0.00 H new ATOM 563 N GLY A 38 -10.126 -16.044 11.961 1.00 0.00 N ATOM 564 CA GLY A 38 -9.843 -17.478 12.252 1.00 0.00 C ATOM 565 C GLY A 38 -9.101 -17.592 13.585 1.00 0.00 C ATOM 566 O GLY A 38 -9.000 -16.639 14.332 1.00 0.00 O ATOM 0 H GLY A 38 -11.113 -15.786 11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.775 -18.042 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.243 -17.911 11.452 1.00 0.00 H new ATOM 570 N GLU A 39 -8.580 -18.749 13.888 1.00 0.00 N ATOM 571 CA GLU A 39 -7.843 -18.920 15.173 1.00 0.00 C ATOM 572 C GLU A 39 -6.460 -18.272 15.076 1.00 0.00 C ATOM 573 O GLU A 39 -5.934 -17.760 16.045 1.00 0.00 O ATOM 574 CB GLU A 39 -7.714 -20.432 15.358 1.00 0.00 C ATOM 575 CG GLU A 39 -9.093 -21.082 15.229 1.00 0.00 C ATOM 576 CD GLU A 39 -8.963 -22.595 15.406 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.853 -23.091 15.301 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.975 -23.234 15.643 1.00 0.00 O ATOM 0 H GLU A 39 -8.632 -19.583 13.303 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.358 -18.450 16.011 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.035 -20.844 14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.286 -20.654 16.335 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.770 -20.674 15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.524 -20.855 14.254 1.00 0.00 H new ATOM 585 N TRP A 40 -5.868 -18.287 13.913 1.00 0.00 N ATOM 586 CA TRP A 40 -4.520 -17.671 13.752 1.00 0.00 C ATOM 587 C TRP A 40 -4.655 -16.257 13.178 1.00 0.00 C ATOM 588 O TRP A 40 -5.517 -15.989 12.367 1.00 0.00 O ATOM 589 CB TRP A 40 -3.786 -18.578 12.767 1.00 0.00 C ATOM 590 CG TRP A 40 -3.598 -19.930 13.375 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.430 -20.983 13.203 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.528 -20.392 14.249 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.938 -22.063 13.916 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.768 -21.747 14.577 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.385 -19.773 14.783 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.902 -22.463 15.405 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.513 -20.489 15.617 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.770 -21.831 15.927 1.00 0.00 C ATOM 0 H TRP A 40 -6.260 -18.700 13.066 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.988 -17.583 14.699 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.354 -18.661 11.840 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.819 -18.146 12.510 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.331 -20.981 12.607 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.385 -22.979 13.949 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.176 -18.739 14.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.105 -23.497 15.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.362 -20.003 16.023 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.094 -22.377 16.569 1.00 0.00 H new ATOM 609 N TRP A 41 -3.808 -15.354 13.592 1.00 0.00 N ATOM 610 CA TRP A 41 -3.888 -13.959 13.069 1.00 0.00 C ATOM 611 C TRP A 41 -2.583 -13.587 12.362 1.00 0.00 C ATOM 612 O TRP A 41 -1.532 -14.121 12.654 1.00 0.00 O ATOM 613 CB TRP A 41 -4.090 -13.082 14.307 1.00 0.00 C ATOM 614 CG TRP A 41 -5.451 -13.318 14.878 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.470 -13.935 14.235 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.960 -12.953 16.194 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.571 -13.972 15.073 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.306 -13.379 16.291 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.390 -12.299 17.301 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.059 -13.165 17.447 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.145 -12.082 18.465 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.477 -12.513 18.537 1.00 0.00 C ATOM 0 H TRP A 41 -3.064 -15.521 14.270 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.693 -13.835 12.344 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.328 -13.309 15.053 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.974 -12.031 14.042 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.430 -14.333 13.232 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.468 -14.387 14.821 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.365 -11.962 17.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.084 -13.501 17.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.697 -11.580 19.310 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.053 -12.341 19.434 1.00 0.00 H new ATOM 633 N LYS A 42 -2.640 -12.664 11.443 1.00 0.00 N ATOM 634 CA LYS A 42 -1.400 -12.246 10.730 1.00 0.00 C ATOM 635 C LYS A 42 -0.784 -11.045 11.448 1.00 0.00 C ATOM 636 O LYS A 42 -1.484 -10.164 11.907 1.00 0.00 O ATOM 637 CB LYS A 42 -1.856 -11.858 9.323 1.00 0.00 C ATOM 638 CG LYS A 42 -0.651 -11.863 8.379 1.00 0.00 C ATOM 639 CD LYS A 42 -1.064 -11.294 7.019 1.00 0.00 C ATOM 640 CE LYS A 42 0.137 -11.315 6.072 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.054 -12.534 5.239 1.00 0.00 N ATOM 0 H LYS A 42 -3.491 -12.181 11.155 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.646 -13.033 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.613 -12.558 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.317 -10.870 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.159 -11.269 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.273 -12.878 8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.881 -11.881 6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.431 -10.274 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.170 -10.417 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.075 -11.357 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.807 -12.713 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.244 -13.350 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.858 -12.392 4.595 1.00 0.00 H new ATOM 655 N ALA A 43 0.512 -10.999 11.559 1.00 0.00 N ATOM 656 CA ALA A 43 1.143 -9.849 12.262 1.00 0.00 C ATOM 657 C ALA A 43 2.522 -9.541 11.677 1.00 0.00 C ATOM 658 O ALA A 43 3.049 -10.280 10.869 1.00 0.00 O ATOM 659 CB ALA A 43 1.268 -10.302 13.717 1.00 0.00 C ATOM 0 H ALA A 43 1.158 -11.701 11.197 1.00 0.00 H new ATOM 0 HA ALA A 43 0.555 -8.937 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.726 -9.508 14.307 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.278 -10.525 14.115 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.889 -11.196 13.768 1.00 0.00 H new ATOM 665 N GLN A 44 3.109 -8.453 12.091 1.00 0.00 N ATOM 666 CA GLN A 44 4.457 -8.083 11.576 1.00 0.00 C ATOM 667 C GLN A 44 5.311 -7.534 12.720 1.00 0.00 C ATOM 668 O GLN A 44 4.809 -6.918 13.640 1.00 0.00 O ATOM 669 CB GLN A 44 4.201 -6.999 10.528 1.00 0.00 C ATOM 670 CG GLN A 44 5.522 -6.616 9.858 1.00 0.00 C ATOM 671 CD GLN A 44 5.430 -5.182 9.331 1.00 0.00 C ATOM 672 OE1 GLN A 44 6.376 -4.426 9.427 1.00 0.00 O ATOM 673 NE2 GLN A 44 4.323 -4.774 8.773 1.00 0.00 N ATOM 0 H GLN A 44 2.711 -7.801 12.767 1.00 0.00 H new ATOM 0 HA GLN A 44 4.991 -8.934 11.152 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.493 -7.360 9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.751 -6.124 10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.342 -6.701 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.739 -7.302 9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.529 -5.409 8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.252 -3.821 8.418 1.00 0.00 H new ATOM 682 N SER A 45 6.594 -7.752 12.676 1.00 0.00 N ATOM 683 CA SER A 45 7.469 -7.239 13.768 1.00 0.00 C ATOM 684 C SER A 45 8.046 -5.875 13.384 1.00 0.00 C ATOM 685 O SER A 45 8.881 -5.767 12.508 1.00 0.00 O ATOM 686 CB SER A 45 8.584 -8.275 13.904 1.00 0.00 C ATOM 687 OG SER A 45 9.202 -8.142 15.176 1.00 0.00 O ATOM 0 H SER A 45 7.075 -8.261 11.935 1.00 0.00 H new ATOM 0 HA SER A 45 6.926 -7.102 14.703 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.177 -9.280 13.789 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.322 -8.137 13.113 1.00 0.00 H new ATOM 0 HG SER A 45 9.916 -8.808 15.264 1.00 0.00 H new ATOM 693 N LEU A 46 7.605 -4.831 14.033 1.00 0.00 N ATOM 694 CA LEU A 46 8.126 -3.474 13.704 1.00 0.00 C ATOM 695 C LEU A 46 9.569 -3.320 14.199 1.00 0.00 C ATOM 696 O LEU A 46 10.193 -2.297 14.006 1.00 0.00 O ATOM 697 CB LEU A 46 7.199 -2.510 14.445 1.00 0.00 C ATOM 698 CG LEU A 46 7.491 -1.076 13.999 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.882 -0.838 12.616 1.00 0.00 C ATOM 700 CD2 LEU A 46 6.880 -0.096 15.001 1.00 0.00 C ATOM 0 H LEU A 46 6.907 -4.860 14.776 1.00 0.00 H new ATOM 0 HA LEU A 46 8.141 -3.286 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.158 -2.761 14.241 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.344 -2.604 15.521 1.00 0.00 H new ATOM 0 HG LEU A 46 8.569 -0.922 13.952 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.090 0.184 12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.318 -1.536 11.901 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.804 -0.991 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.088 0.926 14.684 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.802 -0.249 15.048 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.314 -0.265 15.986 1.00 0.00 H new ATOM 712 N THR A 47 10.102 -4.329 14.834 1.00 0.00 N ATOM 713 CA THR A 47 11.504 -4.234 15.334 1.00 0.00 C ATOM 714 C THR A 47 12.478 -4.751 14.273 1.00 0.00 C ATOM 715 O THR A 47 13.601 -4.298 14.173 1.00 0.00 O ATOM 716 CB THR A 47 11.541 -5.125 16.577 1.00 0.00 C ATOM 717 OG1 THR A 47 10.623 -4.628 17.541 1.00 0.00 O ATOM 718 CG2 THR A 47 12.953 -5.124 17.166 1.00 0.00 C ATOM 0 H THR A 47 9.629 -5.212 15.028 1.00 0.00 H new ATOM 0 HA THR A 47 11.795 -3.208 15.559 1.00 0.00 H new ATOM 0 HB THR A 47 11.265 -6.143 16.303 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.644 -5.199 18.337 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.978 -5.759 18.052 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.656 -5.505 16.426 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.232 -4.107 17.441 1.00 0.00 H new ATOM 726 N THR A 48 12.055 -5.696 13.478 1.00 0.00 N ATOM 727 CA THR A 48 12.957 -6.243 12.422 1.00 0.00 C ATOM 728 C THR A 48 12.333 -6.043 11.038 1.00 0.00 C ATOM 729 O THR A 48 12.964 -6.269 10.025 1.00 0.00 O ATOM 730 CB THR A 48 13.085 -7.733 12.741 1.00 0.00 C ATOM 731 OG1 THR A 48 11.800 -8.338 12.688 1.00 0.00 O ATOM 732 CG2 THR A 48 13.677 -7.909 14.141 1.00 0.00 C ATOM 0 H THR A 48 11.125 -6.113 13.513 1.00 0.00 H new ATOM 0 HA THR A 48 13.926 -5.745 12.409 1.00 0.00 H new ATOM 0 HB THR A 48 13.741 -8.207 12.011 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.880 -9.294 12.890 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.768 -8.972 14.367 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.662 -7.444 14.180 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.023 -7.437 14.874 1.00 0.00 H new ATOM 740 N GLY A 49 11.099 -5.623 10.988 1.00 0.00 N ATOM 741 CA GLY A 49 10.438 -5.411 9.669 1.00 0.00 C ATOM 742 C GLY A 49 10.082 -6.766 9.052 1.00 0.00 C ATOM 743 O GLY A 49 10.169 -6.955 7.855 1.00 0.00 O ATOM 0 H GLY A 49 10.520 -5.418 11.802 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.538 -4.809 9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.101 -4.859 9.003 1.00 0.00 H new ATOM 747 N GLN A 50 9.682 -7.710 9.860 1.00 0.00 N ATOM 748 CA GLN A 50 9.321 -9.051 9.316 1.00 0.00 C ATOM 749 C GLN A 50 7.819 -9.301 9.475 1.00 0.00 C ATOM 750 O GLN A 50 7.211 -8.892 10.444 1.00 0.00 O ATOM 751 CB GLN A 50 10.123 -10.046 10.155 1.00 0.00 C ATOM 752 CG GLN A 50 11.354 -10.504 9.368 1.00 0.00 C ATOM 753 CD GLN A 50 12.308 -11.252 10.301 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.878 -11.952 11.195 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.597 -11.131 10.129 1.00 0.00 N ATOM 0 H GLN A 50 9.590 -7.611 10.871 1.00 0.00 H new ATOM 0 HA GLN A 50 9.545 -9.140 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.430 -9.583 11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.502 -10.905 10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.052 -11.151 8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.859 -9.644 8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.958 -10.543 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.242 -11.625 10.746 1.00 0.00 H new ATOM 764 N GLU A 51 7.216 -9.971 8.531 1.00 0.00 N ATOM 765 CA GLU A 51 5.753 -10.246 8.629 1.00 0.00 C ATOM 766 C GLU A 51 5.498 -11.755 8.620 1.00 0.00 C ATOM 767 O GLU A 51 6.150 -12.501 7.917 1.00 0.00 O ATOM 768 CB GLU A 51 5.143 -9.593 7.389 1.00 0.00 C ATOM 769 CG GLU A 51 3.621 -9.744 7.429 1.00 0.00 C ATOM 770 CD GLU A 51 3.018 -9.190 6.136 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.782 -8.819 5.262 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.802 -9.149 6.043 1.00 0.00 O ATOM 0 H GLU A 51 7.672 -10.340 7.697 1.00 0.00 H new ATOM 0 HA GLU A 51 5.320 -9.855 9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.413 -8.538 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.542 -10.057 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.352 -10.794 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.215 -9.212 8.289 1.00 0.00 H new ATOM 779 N GLY A 52 4.554 -12.212 9.398 1.00 0.00 N ATOM 780 CA GLY A 52 4.261 -13.673 9.432 1.00 0.00 C ATOM 781 C GLY A 52 3.011 -13.925 10.278 1.00 0.00 C ATOM 782 O GLY A 52 2.584 -13.079 11.038 1.00 0.00 O ATOM 0 H GLY A 52 3.974 -11.638 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.109 -14.048 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.110 -14.215 9.849 1.00 0.00 H new ATOM 786 N PHE A 53 2.426 -15.085 10.159 1.00 0.00 N ATOM 787 CA PHE A 53 1.209 -15.392 10.962 1.00 0.00 C ATOM 788 C PHE A 53 1.600 -15.653 12.418 1.00 0.00 C ATOM 789 O PHE A 53 2.663 -16.168 12.701 1.00 0.00 O ATOM 790 CB PHE A 53 0.624 -16.656 10.330 1.00 0.00 C ATOM 791 CG PHE A 53 0.175 -16.354 8.919 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.023 -15.664 8.698 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.958 -16.766 7.834 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.438 -15.387 7.389 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.542 -16.488 6.526 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.656 -15.798 6.304 1.00 0.00 C ATOM 0 H PHE A 53 2.738 -15.834 9.540 1.00 0.00 H new ATOM 0 HA PHE A 53 0.493 -14.571 10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.370 -17.450 10.323 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.218 -17.015 10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.626 -15.346 9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.882 -17.298 8.006 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.362 -14.856 7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.145 -16.806 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.976 -15.583 5.295 1.00 0.00 H new ATOM 806 N ILE A 54 0.751 -15.302 13.342 1.00 0.00 N ATOM 807 CA ILE A 54 1.082 -15.531 14.776 1.00 0.00 C ATOM 808 C ILE A 54 -0.171 -15.945 15.550 1.00 0.00 C ATOM 809 O ILE A 54 -1.236 -15.390 15.354 1.00 0.00 O ATOM 810 CB ILE A 54 1.607 -14.187 15.282 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.448 -13.195 15.396 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.648 -13.644 14.301 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.013 -13.112 16.853 1.00 0.00 C ATOM 0 H ILE A 54 -0.155 -14.868 13.168 1.00 0.00 H new ATOM 0 HA ILE A 54 1.813 -16.329 14.908 1.00 0.00 H new ATOM 0 HB ILE A 54 2.066 -14.323 16.261 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.762 -12.211 15.046 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.379 -13.511 14.760 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.023 -12.686 14.661 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.475 -14.350 14.220 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.189 -13.509 13.321 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.839 -12.405 16.934 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.344 -14.096 17.187 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.815 -12.776 17.478 1.00 0.00 H new ATOM 825 N PRO A 55 0.003 -16.912 16.408 1.00 0.00 N ATOM 826 CA PRO A 55 -1.155 -17.380 17.210 1.00 0.00 C ATOM 827 C PRO A 55 -1.745 -16.218 18.013 1.00 0.00 C ATOM 828 O PRO A 55 -1.082 -15.235 18.276 1.00 0.00 O ATOM 829 CB PRO A 55 -0.563 -18.440 18.132 1.00 0.00 C ATOM 830 CG PRO A 55 0.883 -18.089 18.245 1.00 0.00 C ATOM 831 CD PRO A 55 1.273 -17.401 16.963 1.00 0.00 C ATOM 0 HA PRO A 55 -1.967 -17.773 16.599 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.049 -18.430 19.108 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.695 -19.440 17.720 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.055 -17.436 19.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.486 -18.984 18.401 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.967 -16.581 17.148 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.767 -18.089 16.277 1.00 0.00 H new ATOM 839 N PHE A 56 -2.989 -16.318 18.389 1.00 0.00 N ATOM 840 CA PHE A 56 -3.625 -15.210 19.160 1.00 0.00 C ATOM 841 C PHE A 56 -3.503 -15.443 20.671 1.00 0.00 C ATOM 842 O PHE A 56 -3.956 -14.643 21.464 1.00 0.00 O ATOM 843 CB PHE A 56 -5.094 -15.225 18.728 1.00 0.00 C ATOM 844 CG PHE A 56 -5.823 -16.352 19.425 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.766 -17.652 18.907 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.556 -16.095 20.590 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.443 -18.694 19.553 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.232 -17.137 21.237 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.176 -18.435 20.718 1.00 0.00 C ATOM 0 H PHE A 56 -3.593 -17.117 18.197 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.144 -14.252 18.963 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.563 -14.272 18.970 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.163 -15.349 17.647 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.200 -17.851 18.009 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.600 -15.093 20.990 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.400 -19.696 19.153 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.796 -16.939 22.136 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.699 -19.238 21.216 1.00 0.00 H new ATOM 859 N ASN A 57 -2.908 -16.530 21.083 1.00 0.00 N ATOM 860 CA ASN A 57 -2.784 -16.792 22.548 1.00 0.00 C ATOM 861 C ASN A 57 -1.400 -16.381 23.066 1.00 0.00 C ATOM 862 O ASN A 57 -1.236 -16.059 24.226 1.00 0.00 O ATOM 863 CB ASN A 57 -2.990 -18.300 22.702 1.00 0.00 C ATOM 864 CG ASN A 57 -1.914 -19.051 21.916 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.144 -18.451 21.191 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.827 -20.347 22.027 1.00 0.00 N ATOM 0 H ASN A 57 -2.505 -17.243 20.475 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.510 -16.217 23.123 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.945 -18.577 23.755 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.980 -18.580 22.341 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.113 -20.857 21.506 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.472 -20.851 22.635 1.00 0.00 H new ATOM 873 N PHE A 58 -0.401 -16.391 22.224 1.00 0.00 N ATOM 874 CA PHE A 58 0.964 -16.004 22.690 1.00 0.00 C ATOM 875 C PHE A 58 1.170 -14.495 22.550 1.00 0.00 C ATOM 876 O PHE A 58 2.230 -13.975 22.836 1.00 0.00 O ATOM 877 CB PHE A 58 1.931 -16.762 21.782 1.00 0.00 C ATOM 878 CG PHE A 58 1.652 -18.246 21.866 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.058 -18.787 23.013 1.00 0.00 C ATOM 880 CD2 PHE A 58 1.991 -19.080 20.795 1.00 0.00 C ATOM 881 CE1 PHE A 58 0.802 -20.162 23.088 1.00 0.00 C ATOM 882 CE2 PHE A 58 1.736 -20.454 20.869 1.00 0.00 C ATOM 883 CZ PHE A 58 1.142 -20.995 22.015 1.00 0.00 C ATOM 0 H PHE A 58 -0.469 -16.649 21.239 1.00 0.00 H new ATOM 0 HA PHE A 58 1.118 -16.248 23.741 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.823 -16.420 20.753 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.960 -16.558 22.079 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.797 -18.144 23.840 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.450 -18.663 19.911 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.343 -20.579 23.972 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.998 -21.097 20.042 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.946 -22.056 22.072 1.00 0.00 H new ATOM 893 N VAL A 59 0.166 -13.784 22.113 1.00 0.00 N ATOM 894 CA VAL A 59 0.315 -12.310 21.958 1.00 0.00 C ATOM 895 C VAL A 59 -0.880 -11.588 22.589 1.00 0.00 C ATOM 896 O VAL A 59 -1.990 -12.082 22.579 1.00 0.00 O ATOM 897 CB VAL A 59 0.349 -12.068 20.449 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.535 -12.819 19.839 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.951 -12.573 19.822 1.00 0.00 C ATOM 0 H VAL A 59 -0.748 -14.159 21.858 1.00 0.00 H new ATOM 0 HA VAL A 59 1.212 -11.934 22.451 1.00 0.00 H new ATOM 0 HB VAL A 59 0.455 -11.001 20.254 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.560 -12.647 18.763 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.462 -12.459 20.286 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.429 -13.886 20.033 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.927 -12.401 18.746 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.058 -13.640 20.016 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.796 -12.039 20.256 1.00 0.00 H new ATOM 909 N ALA A 60 -0.660 -10.425 23.139 1.00 0.00 N ATOM 910 CA ALA A 60 -1.784 -9.675 23.768 1.00 0.00 C ATOM 911 C ALA A 60 -1.726 -8.200 23.364 1.00 0.00 C ATOM 912 O ALA A 60 -0.750 -7.737 22.808 1.00 0.00 O ATOM 913 CB ALA A 60 -1.569 -9.829 25.274 1.00 0.00 C ATOM 0 H ALA A 60 0.248 -9.962 23.180 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.758 -10.051 23.456 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.359 -9.303 25.810 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.593 -10.886 25.539 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.602 -9.408 25.548 1.00 0.00 H new