USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 94 ASN : amide:sc= 1.2 K(o=1.2,f=-2.4) USER MOD Set 1.2: A 98 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.98) USER MOD Single : A 25 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0597) USER MOD Single : A 34 CYS SG : rot 150:sc= 0.0141 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.629 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.311 (180deg=-0.505) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -145:sc= -3.12 (180deg=-5.53!) USER MOD Single : A 47 GLN : amide:sc= -0.432 K(o=-0.43,f=-4!) USER MOD Single : A 69 SER OG : rot -120:sc= -0.358 USER MOD Single : A 74 HIS : no HE2:sc= 0.431 K(o=0.43,f=-5.5!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0018 USER MOD Single : A 95 THR OG1 : rot -130:sc= -2.97! USER MOD Single : A 97 GLN : amide:sc= -2.4! K(o=-2.4!,f=-1.2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.252) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N TYR A 6 -9.218 6.603 0.841 1.00 1.00 N ATOM 88 CA TYR A 6 -10.541 6.393 0.453 1.00 1.00 C ATOM 89 C TYR A 6 -11.050 5.336 1.378 1.00 1.00 C ATOM 90 O TYR A 6 -10.308 4.902 2.269 1.00 1.00 O ATOM 91 CB TYR A 6 -10.613 5.975 -1.009 1.00 1.00 C ATOM 92 CG TYR A 6 -10.064 7.027 -1.953 1.00 1.00 C ATOM 93 CD1 TYR A 6 -10.694 8.255 -2.091 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.925 6.793 -2.704 1.00 1.00 C ATOM 95 CE1 TYR A 6 -10.204 9.220 -2.944 1.00 1.00 C ATOM 96 CE2 TYR A 6 -8.428 7.753 -3.565 1.00 1.00 C ATOM 97 CZ TYR A 6 -9.070 8.965 -3.678 1.00 1.00 C ATOM 98 OH TYR A 6 -8.578 9.928 -4.533 1.00 1.00 O ATOM 0 HA TYR A 6 -11.149 7.295 0.521 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -10.056 5.048 -1.144 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.650 5.765 -1.271 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -11.587 8.459 -1.518 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -8.416 5.844 -2.616 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -10.708 10.171 -3.035 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -7.540 7.553 -4.146 1.00 1.00 H new ATOM 0 HH TYR A 6 -7.771 9.591 -4.976 1.00 1.00 H new ATOM 108 N ARG A 7 -12.248 4.903 1.228 1.00 1.00 N ATOM 109 CA ARG A 7 -12.772 4.014 2.249 1.00 1.00 C ATOM 110 C ARG A 7 -13.082 2.636 1.749 1.00 1.00 C ATOM 111 O ARG A 7 -13.956 2.465 0.927 1.00 1.00 O ATOM 112 CB ARG A 7 -13.972 4.629 2.987 1.00 1.00 C ATOM 113 CG ARG A 7 -13.652 5.948 3.688 1.00 1.00 C ATOM 114 CD ARG A 7 -12.494 5.803 4.673 1.00 1.00 C ATOM 115 NE ARG A 7 -11.988 7.099 5.135 1.00 1.00 N ATOM 116 CZ ARG A 7 -10.687 7.416 5.252 1.00 1.00 C ATOM 117 NH1 ARG A 7 -9.745 6.586 4.795 1.00 1.00 N ATOM 118 NH2 ARG A 7 -10.337 8.582 5.778 1.00 1.00 N ATOM 0 H ARG A 7 -12.875 5.124 0.454 1.00 1.00 H new ATOM 0 HA ARG A 7 -11.962 3.894 2.969 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -14.780 4.793 2.274 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.338 3.915 3.725 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -13.403 6.704 2.943 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -14.537 6.302 4.217 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -12.822 5.217 5.532 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -11.685 5.248 4.199 1.00 1.00 H new ATOM 0 HE ARG A 7 -12.673 7.812 5.386 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -10.011 5.706 4.354 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -8.760 6.833 4.887 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -11.054 9.235 6.093 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -9.351 8.825 5.868 1.00 1.00 H new ATOM 132 N PRO A 8 -12.304 1.632 2.192 1.00 1.00 N ATOM 133 CA PRO A 8 -12.621 0.240 1.928 1.00 1.00 C ATOM 134 C PRO A 8 -13.931 -0.109 2.628 1.00 1.00 C ATOM 135 O PRO A 8 -13.980 -0.279 3.853 1.00 1.00 O ATOM 136 CB PRO A 8 -11.449 -0.541 2.548 1.00 1.00 C ATOM 137 CG PRO A 8 -10.368 0.465 2.754 1.00 1.00 C ATOM 138 CD PRO A 8 -11.051 1.784 2.947 1.00 1.00 C ATOM 0 HA PRO A 8 -12.744 0.014 0.869 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -11.740 -1.003 3.491 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -11.119 -1.343 1.888 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -9.761 0.211 3.623 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.698 0.496 1.895 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.239 1.989 4.001 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.449 2.608 2.565 1.00 1.00 H new ATOM 146 N LEU A 9 -14.966 -0.207 1.860 1.00 1.00 N ATOM 147 CA LEU A 9 -16.287 -0.397 2.375 1.00 1.00 C ATOM 148 C LEU A 9 -16.747 -1.803 2.104 1.00 1.00 C ATOM 149 O LEU A 9 -16.193 -2.491 1.242 1.00 1.00 O ATOM 150 CB LEU A 9 -17.242 0.591 1.713 1.00 1.00 C ATOM 151 CG LEU A 9 -18.574 0.816 2.425 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.430 1.825 3.538 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.634 1.233 1.453 1.00 1.00 C ATOM 0 H LEU A 9 -14.920 -0.157 0.842 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.278 -0.227 3.452 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.734 1.551 1.623 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.448 0.243 0.701 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.881 -0.130 2.872 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.393 1.966 4.028 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.703 1.464 4.265 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -18.090 2.775 3.126 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.574 1.387 1.983 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.336 2.161 0.965 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.765 0.454 0.702 1.00 1.00 H new ATOM 165 N THR A 10 -17.743 -2.221 2.826 1.00 1.00 N ATOM 166 CA THR A 10 -18.294 -3.532 2.670 1.00 1.00 C ATOM 167 C THR A 10 -19.631 -3.429 1.945 1.00 1.00 C ATOM 168 O THR A 10 -20.469 -2.586 2.279 1.00 1.00 O ATOM 169 CB THR A 10 -18.487 -4.218 4.037 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.241 -4.179 4.762 1.00 1.00 O ATOM 171 CG2 THR A 10 -18.913 -5.671 3.857 1.00 1.00 C ATOM 0 H THR A 10 -18.198 -1.658 3.544 1.00 1.00 H new ATOM 0 HA THR A 10 -17.601 -4.137 2.086 1.00 1.00 H new ATOM 0 HB THR A 10 -19.266 -3.690 4.588 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.356 -4.612 5.634 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.043 -6.136 4.834 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.854 -5.709 3.309 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.146 -6.209 3.299 1.00 1.00 H new ATOM 179 N LEU A 11 -19.788 -4.221 0.932 1.00 1.00 N ATOM 180 CA LEU A 11 -20.984 -4.280 0.156 1.00 1.00 C ATOM 181 C LEU A 11 -21.519 -5.675 0.115 1.00 1.00 C ATOM 182 O LEU A 11 -20.766 -6.646 0.164 1.00 1.00 O ATOM 183 CB LEU A 11 -20.764 -3.766 -1.268 1.00 1.00 C ATOM 184 CG LEU A 11 -20.834 -2.260 -1.465 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.005 -1.699 -0.700 1.00 1.00 C ATOM 186 CD2 LEU A 11 -19.543 -1.586 -1.052 1.00 1.00 C ATOM 0 H LEU A 11 -19.064 -4.864 0.613 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.713 -3.630 0.640 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.787 -4.109 -1.607 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -21.507 -4.230 -1.917 1.00 1.00 H new ATOM 0 HG LEU A 11 -20.976 -2.058 -2.527 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.051 -0.620 -0.845 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.927 -2.153 -1.062 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.885 -1.918 0.361 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -19.629 -0.510 -1.206 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -19.348 -1.787 0.001 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -18.721 -1.974 -1.653 1.00 1.00 H new ATOM 198 N ASN A 12 -22.800 -5.776 0.040 1.00 1.00 N ATOM 199 CA ASN A 12 -23.452 -7.037 -0.030 1.00 1.00 C ATOM 200 C ASN A 12 -23.669 -7.409 -1.478 1.00 1.00 C ATOM 201 O ASN A 12 -24.463 -6.765 -2.178 1.00 1.00 O ATOM 202 CB ASN A 12 -24.776 -6.968 0.700 1.00 1.00 C ATOM 203 CG ASN A 12 -25.539 -8.259 0.661 1.00 1.00 C ATOM 204 OD1 ASN A 12 -25.379 -9.107 1.517 1.00 1.00 O ATOM 205 ND2 ASN A 12 -26.364 -8.421 -0.334 1.00 1.00 N ATOM 0 H ASN A 12 -23.432 -4.976 0.025 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.832 -7.798 0.443 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.597 -6.690 1.739 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.386 -6.179 0.260 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -26.903 -9.283 -0.414 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -26.471 -7.686 -1.033 1.00 1.00 H new ATOM 212 N ALA A 13 -22.961 -8.418 -1.923 1.00 1.00 N ATOM 213 CA ALA A 13 -23.058 -8.893 -3.287 1.00 1.00 C ATOM 214 C ALA A 13 -24.319 -9.686 -3.463 1.00 1.00 C ATOM 215 O ALA A 13 -24.498 -10.746 -2.833 1.00 1.00 O ATOM 216 CB ALA A 13 -21.850 -9.743 -3.649 1.00 1.00 C ATOM 0 H ALA A 13 -22.297 -8.937 -1.349 1.00 1.00 H new ATOM 0 HA ALA A 13 -23.081 -8.031 -3.953 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -21.944 -10.089 -4.678 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -20.943 -9.148 -3.548 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.796 -10.602 -2.981 1.00 1.00 H new ATOM 222 N LEU A 14 -25.197 -9.182 -4.276 1.00 1.00 N ATOM 223 CA LEU A 14 -26.440 -9.817 -4.527 1.00 1.00 C ATOM 224 C LEU A 14 -26.854 -9.525 -5.963 1.00 1.00 C ATOM 225 O LEU A 14 -26.409 -8.547 -6.548 1.00 1.00 O ATOM 226 CB LEU A 14 -27.481 -9.289 -3.545 1.00 1.00 C ATOM 227 CG LEU A 14 -28.821 -10.003 -3.516 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.632 -11.455 -3.101 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.756 -9.294 -2.566 1.00 1.00 C ATOM 0 H LEU A 14 -25.062 -8.309 -4.786 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.355 -10.895 -4.393 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -27.053 -9.329 -2.543 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.661 -8.238 -3.773 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.259 -9.987 -4.514 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.599 -11.957 -3.084 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -27.976 -11.955 -3.814 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -28.185 -11.494 -2.108 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.716 -9.809 -2.548 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -29.326 -9.294 -1.565 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.902 -8.266 -2.898 1.00 1.00 H new ATOM 241 N LEU A 15 -27.662 -10.375 -6.530 1.00 1.00 N ATOM 242 CA LEU A 15 -28.126 -10.192 -7.887 1.00 1.00 C ATOM 243 C LEU A 15 -29.647 -10.127 -7.911 1.00 1.00 C ATOM 244 O LEU A 15 -30.312 -10.788 -7.120 1.00 1.00 O ATOM 245 CB LEU A 15 -27.588 -11.309 -8.816 1.00 1.00 C ATOM 246 CG LEU A 15 -28.379 -12.625 -8.863 1.00 1.00 C ATOM 247 CD1 LEU A 15 -27.857 -13.508 -9.975 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.302 -13.369 -7.542 1.00 1.00 C ATOM 0 H LEU A 15 -28.020 -11.213 -6.072 1.00 1.00 H new ATOM 0 HA LEU A 15 -27.738 -9.247 -8.267 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.536 -10.910 -9.829 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.567 -11.539 -8.511 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.423 -12.376 -9.053 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.425 -14.438 -9.998 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -27.964 -12.993 -10.930 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -26.805 -13.730 -9.799 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -28.873 -14.295 -7.612 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.261 -13.601 -7.315 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -28.716 -12.746 -6.749 1.00 1.00 H new ATOM 260 N ALA A 16 -30.181 -9.316 -8.781 1.00 1.00 N ATOM 261 CA ALA A 16 -31.621 -9.159 -8.904 1.00 1.00 C ATOM 262 C ALA A 16 -32.069 -9.644 -10.276 1.00 1.00 C ATOM 263 O ALA A 16 -33.058 -9.167 -10.840 1.00 1.00 O ATOM 264 CB ALA A 16 -32.005 -7.705 -8.688 1.00 1.00 C ATOM 0 H ALA A 16 -29.640 -8.742 -9.428 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.122 -9.758 -8.143 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.085 -7.596 -8.782 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.694 -7.391 -7.692 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.512 -7.083 -9.435 1.00 1.00 H new ATOM 270 N VAL A 17 -31.334 -10.613 -10.794 1.00 1.00 N ATOM 271 CA VAL A 17 -31.528 -11.136 -12.085 1.00 1.00 C ATOM 272 C VAL A 17 -32.903 -11.826 -12.249 1.00 1.00 C ATOM 273 O VAL A 17 -33.620 -11.551 -13.209 1.00 1.00 O ATOM 274 CB VAL A 17 -30.367 -12.096 -12.395 1.00 1.00 C ATOM 275 CG1 VAL A 17 -30.648 -12.886 -13.597 1.00 1.00 C ATOM 276 CG2 VAL A 17 -29.070 -11.327 -12.564 1.00 1.00 C ATOM 0 H VAL A 17 -30.566 -11.055 -10.289 1.00 1.00 H new ATOM 0 HA VAL A 17 -31.533 -10.315 -12.802 1.00 1.00 H new ATOM 0 HB VAL A 17 -30.261 -12.779 -11.552 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -29.812 -13.557 -13.795 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -31.555 -13.471 -13.444 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -30.786 -12.218 -14.447 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -28.260 -12.023 -12.783 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -29.172 -10.619 -13.386 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -28.845 -10.786 -11.645 1.00 1.00 H new ATOM 286 N GLY A 18 -33.278 -12.670 -11.306 1.00 1.00 N ATOM 287 CA GLY A 18 -34.546 -13.360 -11.443 1.00 1.00 C ATOM 288 C GLY A 18 -34.817 -14.373 -10.345 1.00 1.00 C ATOM 289 O GLY A 18 -35.427 -14.033 -9.345 1.00 1.00 O ATOM 0 H GLY A 18 -32.744 -12.889 -10.465 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -35.350 -12.624 -11.451 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -34.569 -13.869 -12.407 1.00 1.00 H new ATOM 293 N PRO A 19 -34.338 -15.628 -10.493 1.00 1.00 N ATOM 294 CA PRO A 19 -34.628 -16.727 -9.535 1.00 1.00 C ATOM 295 C PRO A 19 -34.109 -16.446 -8.132 1.00 1.00 C ATOM 296 O PRO A 19 -34.691 -16.880 -7.141 1.00 1.00 O ATOM 297 CB PRO A 19 -33.890 -17.932 -10.143 1.00 1.00 C ATOM 298 CG PRO A 19 -32.845 -17.324 -11.018 1.00 1.00 C ATOM 299 CD PRO A 19 -33.475 -16.091 -11.592 1.00 1.00 C ATOM 0 HA PRO A 19 -35.701 -16.875 -9.410 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -33.445 -18.558 -9.369 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -34.568 -18.566 -10.715 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -31.949 -17.078 -10.448 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -32.542 -18.014 -11.806 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -32.729 -15.344 -11.864 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -34.049 -16.311 -12.492 1.00 1.00 H new ATOM 307 N GLY A 20 -33.031 -15.705 -8.062 1.00 1.00 N ATOM 308 CA GLY A 20 -32.442 -15.382 -6.801 1.00 1.00 C ATOM 309 C GLY A 20 -32.448 -13.909 -6.557 1.00 1.00 C ATOM 310 O GLY A 20 -31.576 -13.384 -5.860 1.00 1.00 O ATOM 0 H GLY A 20 -32.547 -15.316 -8.871 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -32.987 -15.886 -6.003 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -31.418 -15.753 -6.771 1.00 1.00 H new ATOM 314 N ALA A 21 -33.435 -13.230 -7.110 1.00 1.00 N ATOM 315 CA ALA A 21 -33.517 -11.784 -7.013 1.00 1.00 C ATOM 316 C ALA A 21 -33.926 -11.327 -5.621 1.00 1.00 C ATOM 317 O ALA A 21 -35.103 -11.105 -5.335 1.00 1.00 O ATOM 318 CB ALA A 21 -34.439 -11.210 -8.071 1.00 1.00 C ATOM 0 H ALA A 21 -34.197 -13.660 -7.635 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.515 -11.397 -7.197 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.478 -10.125 -7.970 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.063 -11.469 -9.061 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.440 -11.622 -7.944 1.00 1.00 H new ATOM 324 N GLY A 22 -32.947 -11.250 -4.750 1.00 1.00 N ATOM 325 CA GLY A 22 -33.165 -10.754 -3.415 1.00 1.00 C ATOM 326 C GLY A 22 -33.300 -11.883 -2.463 1.00 1.00 C ATOM 327 O GLY A 22 -33.556 -11.699 -1.275 1.00 1.00 O ATOM 0 H GLY A 22 -31.985 -11.527 -4.946 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -32.334 -10.115 -3.117 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -34.065 -10.139 -3.390 1.00 1.00 H new ATOM 331 N GLU A 23 -33.116 -13.060 -2.994 1.00 1.00 N ATOM 332 CA GLU A 23 -33.278 -14.280 -2.271 1.00 1.00 C ATOM 333 C GLU A 23 -32.132 -15.237 -2.571 1.00 1.00 C ATOM 334 O GLU A 23 -32.285 -16.455 -2.468 1.00 1.00 O ATOM 335 CB GLU A 23 -34.576 -14.908 -2.716 1.00 1.00 C ATOM 336 CG GLU A 23 -35.820 -14.169 -2.275 1.00 1.00 C ATOM 337 CD GLU A 23 -37.066 -14.741 -2.879 1.00 1.00 C ATOM 338 OE1 GLU A 23 -37.399 -14.370 -4.016 1.00 1.00 O ATOM 339 OE2 GLU A 23 -37.741 -15.561 -2.227 1.00 1.00 O ATOM 0 H GLU A 23 -32.842 -13.195 -3.967 1.00 1.00 H new ATOM 0 HA GLU A 23 -33.284 -14.076 -1.200 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -34.577 -14.976 -3.804 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.621 -15.928 -2.333 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -35.896 -14.206 -1.188 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -35.733 -13.119 -2.553 1.00 1.00 H new ATOM 346 N ALA A 24 -30.986 -14.703 -2.936 1.00 1.00 N ATOM 347 CA ALA A 24 -29.884 -15.557 -3.332 1.00 1.00 C ATOM 348 C ALA A 24 -28.905 -15.834 -2.199 1.00 1.00 C ATOM 349 O ALA A 24 -29.120 -16.731 -1.386 1.00 1.00 O ATOM 350 CB ALA A 24 -29.163 -15.001 -4.547 1.00 1.00 C ATOM 0 H ALA A 24 -30.793 -13.702 -2.967 1.00 1.00 H new ATOM 0 HA ALA A 24 -30.327 -16.516 -3.601 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -28.342 -15.665 -4.818 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -29.860 -14.927 -5.381 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.768 -14.012 -4.315 1.00 1.00 H new ATOM 356 N GLN A 25 -27.846 -15.058 -2.140 1.00 1.00 N ATOM 357 CA GLN A 25 -26.792 -15.297 -1.189 1.00 1.00 C ATOM 358 C GLN A 25 -26.518 -14.094 -0.300 1.00 1.00 C ATOM 359 O GLN A 25 -26.662 -14.180 0.907 1.00 1.00 O ATOM 360 CB GLN A 25 -25.535 -15.740 -1.934 1.00 1.00 C ATOM 361 CG GLN A 25 -25.365 -15.063 -3.277 1.00 1.00 C ATOM 362 CD GLN A 25 -24.383 -15.760 -4.153 1.00 1.00 C ATOM 363 OE1 GLN A 25 -24.187 -16.976 -4.062 1.00 1.00 O ATOM 364 NE2 GLN A 25 -23.779 -15.021 -5.013 1.00 1.00 N ATOM 0 H GLN A 25 -27.695 -14.251 -2.745 1.00 1.00 H new ATOM 0 HA GLN A 25 -27.115 -16.092 -0.517 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -24.662 -15.530 -1.316 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -25.570 -16.820 -2.081 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -26.330 -15.020 -3.782 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -25.041 -14.034 -3.122 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -23.973 -14.020 -5.051 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -23.105 -15.435 -5.657 1.00 1.00 H new ATOM 373 N GLY A 26 -26.140 -12.969 -0.899 1.00 1.00 N ATOM 374 CA GLY A 26 -25.802 -11.816 -0.099 1.00 1.00 C ATOM 375 C GLY A 26 -24.444 -12.007 0.533 1.00 1.00 C ATOM 376 O GLY A 26 -24.330 -12.363 1.707 1.00 1.00 O ATOM 0 H GLY A 26 -26.064 -12.840 -1.908 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.801 -10.920 -0.720 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.555 -11.667 0.675 1.00 1.00 H new ATOM 380 N VAL A 27 -23.418 -11.784 -0.241 1.00 1.00 N ATOM 381 CA VAL A 27 -22.068 -12.058 0.205 1.00 1.00 C ATOM 382 C VAL A 27 -21.333 -10.766 0.518 1.00 1.00 C ATOM 383 O VAL A 27 -21.349 -9.840 -0.285 1.00 1.00 O ATOM 384 CB VAL A 27 -21.280 -12.840 -0.879 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.956 -13.351 -0.338 1.00 1.00 C ATOM 386 CG2 VAL A 27 -22.117 -13.984 -1.429 1.00 1.00 C ATOM 0 H VAL A 27 -23.485 -11.412 -1.188 1.00 1.00 H new ATOM 0 HA VAL A 27 -22.135 -12.663 1.109 1.00 1.00 H new ATOM 0 HB VAL A 27 -21.060 -12.151 -1.695 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -19.428 -13.894 -1.122 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.348 -12.508 -0.008 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -20.140 -14.017 0.505 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -21.547 -14.520 -2.188 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -22.376 -14.667 -0.620 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -23.029 -13.586 -1.874 1.00 1.00 H new ATOM 396 N PRO A 28 -20.701 -10.672 1.691 1.00 1.00 N ATOM 397 CA PRO A 28 -19.923 -9.501 2.058 1.00 1.00 C ATOM 398 C PRO A 28 -18.660 -9.378 1.194 1.00 1.00 C ATOM 399 O PRO A 28 -17.723 -10.190 1.305 1.00 1.00 O ATOM 400 CB PRO A 28 -19.530 -9.739 3.528 1.00 1.00 C ATOM 401 CG PRO A 28 -20.308 -10.935 3.975 1.00 1.00 C ATOM 402 CD PRO A 28 -20.700 -11.693 2.741 1.00 1.00 C ATOM 0 HA PRO A 28 -20.490 -8.581 1.913 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -18.458 -9.914 3.622 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -19.766 -8.869 4.141 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -19.708 -11.560 4.636 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -21.191 -10.632 4.538 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -19.993 -12.493 2.521 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.681 -12.156 2.850 1.00 1.00 H new ATOM 410 N VAL A 29 -18.661 -8.398 0.327 1.00 1.00 N ATOM 411 CA VAL A 29 -17.540 -8.099 -0.548 1.00 1.00 C ATOM 412 C VAL A 29 -17.056 -6.688 -0.272 1.00 1.00 C ATOM 413 O VAL A 29 -17.859 -5.791 -0.068 1.00 1.00 O ATOM 414 CB VAL A 29 -17.961 -8.182 -2.028 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.862 -7.654 -2.966 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.383 -9.596 -2.387 1.00 1.00 C ATOM 0 H VAL A 29 -19.454 -7.769 0.202 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.752 -8.827 -0.356 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.825 -7.532 -2.167 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -17.199 -7.730 -4.000 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -16.651 -6.611 -2.729 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.956 -8.246 -2.835 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.676 -9.633 -3.436 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.550 -10.278 -2.219 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.226 -9.893 -1.764 1.00 1.00 H new ATOM 426 N LYS A 30 -15.763 -6.498 -0.244 1.00 1.00 N ATOM 427 CA LYS A 30 -15.222 -5.181 -0.015 1.00 1.00 C ATOM 428 C LYS A 30 -14.727 -4.545 -1.278 1.00 1.00 C ATOM 429 O LYS A 30 -14.401 -5.226 -2.246 1.00 1.00 O ATOM 430 CB LYS A 30 -14.141 -5.153 1.047 1.00 1.00 C ATOM 431 CG LYS A 30 -14.661 -5.409 2.435 1.00 1.00 C ATOM 432 CD LYS A 30 -13.576 -5.247 3.478 1.00 1.00 C ATOM 433 CE LYS A 30 -13.121 -3.797 3.617 1.00 1.00 C ATOM 434 NZ LYS A 30 -12.133 -3.635 4.708 1.00 1.00 N ATOM 0 H LYS A 30 -15.067 -7.232 -0.376 1.00 1.00 H new ATOM 0 HA LYS A 30 -16.059 -4.592 0.362 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -13.386 -5.901 0.806 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.646 -4.182 1.026 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -15.478 -4.721 2.650 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -15.071 -6.418 2.490 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -13.943 -5.604 4.440 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.722 -5.870 3.211 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -12.683 -3.461 2.677 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -13.985 -3.162 3.811 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -12.000 -2.623 4.908 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -12.479 -4.115 5.563 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.225 -4.053 4.419 1.00 1.00 H new ATOM 448 N VAL A 31 -14.692 -3.243 -1.255 1.00 1.00 N ATOM 449 CA VAL A 31 -14.248 -2.424 -2.368 1.00 1.00 C ATOM 450 C VAL A 31 -13.826 -1.047 -1.797 1.00 1.00 C ATOM 451 O VAL A 31 -13.855 -0.872 -0.582 1.00 1.00 O ATOM 452 CB VAL A 31 -15.376 -2.301 -3.448 1.00 1.00 C ATOM 453 CG1 VAL A 31 -16.469 -1.341 -3.029 1.00 1.00 C ATOM 454 CG2 VAL A 31 -14.816 -1.951 -4.819 1.00 1.00 C ATOM 0 H VAL A 31 -14.978 -2.698 -0.442 1.00 1.00 H new ATOM 0 HA VAL A 31 -13.396 -2.880 -2.872 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.835 -3.286 -3.530 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -17.227 -1.290 -3.810 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -16.925 -1.691 -2.103 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.043 -0.350 -2.872 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -15.633 -1.876 -5.537 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -14.291 -0.997 -4.765 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -14.123 -2.729 -5.138 1.00 1.00 H new ATOM 464 N LEU A 32 -13.457 -0.089 -2.628 1.00 1.00 N ATOM 465 CA LEU A 32 -13.000 1.187 -2.134 1.00 1.00 C ATOM 466 C LEU A 32 -14.042 2.217 -2.435 1.00 1.00 C ATOM 467 O LEU A 32 -14.834 2.036 -3.326 1.00 1.00 O ATOM 468 CB LEU A 32 -11.705 1.598 -2.824 1.00 1.00 C ATOM 469 CG LEU A 32 -10.812 2.594 -2.089 1.00 1.00 C ATOM 470 CD1 LEU A 32 -10.315 2.010 -0.786 1.00 1.00 C ATOM 471 CD2 LEU A 32 -9.641 2.999 -2.966 1.00 1.00 C ATOM 0 H LEU A 32 -13.466 -0.175 -3.644 1.00 1.00 H new ATOM 0 HA LEU A 32 -12.824 1.108 -1.061 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -11.122 0.697 -3.014 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -11.959 2.024 -3.795 1.00 1.00 H new ATOM 0 HG LEU A 32 -11.404 3.481 -1.862 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -9.681 2.738 -0.280 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -11.165 1.765 -0.150 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.740 1.106 -0.988 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.013 3.710 -2.429 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -9.055 2.116 -3.220 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -10.014 3.463 -3.879 1.00 1.00 H new ATOM 483 N ASP A 33 -14.007 3.306 -1.698 1.00 1.00 N ATOM 484 CA ASP A 33 -14.931 4.438 -1.879 1.00 1.00 C ATOM 485 C ASP A 33 -14.739 5.030 -3.254 1.00 1.00 C ATOM 486 O ASP A 33 -15.695 5.534 -3.886 1.00 1.00 O ATOM 487 CB ASP A 33 -14.638 5.485 -0.795 1.00 1.00 C ATOM 488 CG ASP A 33 -15.495 6.727 -0.846 1.00 1.00 C ATOM 489 OD1 ASP A 33 -16.654 6.701 -0.379 1.00 1.00 O ATOM 490 OD2 ASP A 33 -15.002 7.761 -1.299 1.00 1.00 O ATOM 0 H ASP A 33 -13.334 3.446 -0.944 1.00 1.00 H new ATOM 0 HA ASP A 33 -15.965 4.104 -1.789 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -14.764 5.017 0.181 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -13.592 5.782 -0.874 1.00 1.00 H new ATOM 495 N CYS A 34 -13.487 4.906 -3.731 1.00 1.00 N ATOM 496 CA CYS A 34 -13.029 5.444 -4.984 1.00 1.00 C ATOM 497 C CYS A 34 -13.016 4.364 -6.050 1.00 1.00 C ATOM 498 O CYS A 34 -12.165 4.360 -6.953 1.00 1.00 O ATOM 499 CB CYS A 34 -11.632 6.031 -4.809 1.00 1.00 C ATOM 500 SG CYS A 34 -11.069 7.104 -6.149 1.00 1.00 S ATOM 0 H CYS A 34 -12.757 4.408 -3.222 1.00 1.00 H new ATOM 0 HA CYS A 34 -13.711 6.232 -5.303 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -11.608 6.598 -3.878 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -10.923 5.211 -4.701 1.00 1.00 H new ATOM 0 HG CYS A 34 -10.259 8.003 -5.674 1.00 1.00 H new ATOM 506 N ASP A 35 -13.915 3.435 -5.927 1.00 1.00 N ATOM 507 CA ASP A 35 -14.160 2.437 -6.950 1.00 1.00 C ATOM 508 C ASP A 35 -14.783 3.120 -8.184 1.00 1.00 C ATOM 509 O ASP A 35 -14.707 4.321 -8.352 1.00 1.00 O ATOM 510 CB ASP A 35 -15.183 1.418 -6.410 1.00 1.00 C ATOM 511 CG ASP A 35 -16.598 2.024 -6.256 1.00 1.00 C ATOM 512 OD1 ASP A 35 -16.727 3.116 -5.643 1.00 1.00 O ATOM 513 OD2 ASP A 35 -17.562 1.425 -6.767 1.00 1.00 O ATOM 0 H ASP A 35 -14.512 3.339 -5.106 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.223 1.947 -7.216 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -15.229 0.562 -7.084 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.844 1.045 -5.444 1.00 1.00 H new ATOM 518 N THR A 36 -15.313 2.340 -9.045 1.00 1.00 N ATOM 519 CA THR A 36 -16.149 2.806 -10.111 1.00 1.00 C ATOM 520 C THR A 36 -17.211 1.765 -10.213 1.00 1.00 C ATOM 521 O THR A 36 -16.994 0.644 -9.730 1.00 1.00 O ATOM 522 CB THR A 36 -15.432 2.978 -11.499 1.00 1.00 C ATOM 523 OG1 THR A 36 -15.045 1.719 -12.043 1.00 1.00 O ATOM 524 CG2 THR A 36 -14.217 3.879 -11.414 1.00 1.00 C ATOM 0 H THR A 36 -15.181 1.329 -9.039 1.00 1.00 H new ATOM 0 HA THR A 36 -16.508 3.810 -9.883 1.00 1.00 H new ATOM 0 HB THR A 36 -16.162 3.449 -12.158 1.00 1.00 H new ATOM 0 HG1 THR A 36 -14.603 1.858 -12.907 1.00 1.00 H new ATOM 0 HG21 THR A 36 -13.758 3.965 -12.399 1.00 1.00 H new ATOM 0 HG22 THR A 36 -14.520 4.867 -11.068 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.497 3.454 -10.714 1.00 1.00 H new ATOM 532 N ILE A 37 -18.326 2.063 -10.835 1.00 1.00 N ATOM 533 CA ILE A 37 -19.384 1.081 -10.921 1.00 1.00 C ATOM 534 C ILE A 37 -18.894 -0.164 -11.605 1.00 1.00 C ATOM 535 O ILE A 37 -19.108 -1.272 -11.089 1.00 1.00 O ATOM 536 CB ILE A 37 -20.649 1.614 -11.630 1.00 1.00 C ATOM 537 CG1 ILE A 37 -21.139 2.870 -10.929 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.751 0.550 -11.653 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.398 2.694 -9.471 1.00 1.00 C ATOM 0 H ILE A 37 -18.524 2.958 -11.282 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.671 0.846 -9.896 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.395 1.857 -12.662 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.399 3.659 -11.063 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -22.056 3.208 -11.411 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.631 0.949 -12.157 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.395 -0.331 -12.187 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -22.012 0.274 -10.631 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.744 3.636 -9.047 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -22.161 1.929 -9.327 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.478 2.388 -8.972 1.00 1.00 H new ATOM 551 N SER A 38 -18.205 0.011 -12.702 1.00 1.00 N ATOM 552 CA SER A 38 -17.644 -1.088 -13.432 1.00 1.00 C ATOM 553 C SER A 38 -16.591 -1.819 -12.576 1.00 1.00 C ATOM 554 O SER A 38 -16.657 -3.035 -12.422 1.00 1.00 O ATOM 555 CB SER A 38 -17.019 -0.566 -14.727 1.00 1.00 C ATOM 556 OG SER A 38 -16.489 -1.606 -15.527 1.00 1.00 O ATOM 0 H SER A 38 -18.018 0.925 -13.114 1.00 1.00 H new ATOM 0 HA SER A 38 -18.432 -1.800 -13.677 1.00 1.00 H new ATOM 0 HB2 SER A 38 -17.772 -0.021 -15.296 1.00 1.00 H new ATOM 0 HB3 SER A 38 -16.227 0.143 -14.485 1.00 1.00 H new ATOM 0 HG SER A 38 -16.102 -1.226 -16.343 1.00 1.00 H new ATOM 562 N GLN A 39 -15.692 -1.053 -11.940 1.00 1.00 N ATOM 563 CA GLN A 39 -14.582 -1.640 -11.172 1.00 1.00 C ATOM 564 C GLN A 39 -15.084 -2.416 -9.988 1.00 1.00 C ATOM 565 O GLN A 39 -14.581 -3.505 -9.678 1.00 1.00 O ATOM 566 CB GLN A 39 -13.645 -0.550 -10.688 1.00 1.00 C ATOM 567 CG GLN A 39 -12.460 -1.036 -9.872 1.00 1.00 C ATOM 568 CD GLN A 39 -11.623 0.109 -9.373 1.00 1.00 C ATOM 569 OE1 GLN A 39 -11.069 0.062 -8.275 1.00 1.00 O ATOM 570 NE2 GLN A 39 -11.508 1.137 -10.172 1.00 1.00 N ATOM 0 H GLN A 39 -15.710 -0.033 -11.941 1.00 1.00 H new ATOM 0 HA GLN A 39 -14.049 -2.321 -11.836 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.271 -0.003 -11.553 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -14.215 0.157 -10.086 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.817 -1.622 -9.025 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.845 -1.698 -10.482 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.983 1.137 -11.074 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.943 1.939 -9.893 1.00 1.00 H new ATOM 579 N ALA A 40 -16.070 -1.867 -9.320 1.00 1.00 N ATOM 580 CA ALA A 40 -16.626 -2.509 -8.173 1.00 1.00 C ATOM 581 C ALA A 40 -17.267 -3.791 -8.553 1.00 1.00 C ATOM 582 O ALA A 40 -17.105 -4.771 -7.869 1.00 1.00 O ATOM 583 CB ALA A 40 -17.588 -1.615 -7.424 1.00 1.00 C ATOM 0 H ALA A 40 -16.499 -0.973 -9.559 1.00 1.00 H new ATOM 0 HA ALA A 40 -15.804 -2.723 -7.490 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -17.984 -2.149 -6.560 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -17.066 -0.719 -7.089 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.409 -1.331 -8.083 1.00 1.00 H new ATOM 589 N LYS A 41 -17.945 -3.805 -9.689 1.00 1.00 N ATOM 590 CA LYS A 41 -18.610 -5.013 -10.126 1.00 1.00 C ATOM 591 C LYS A 41 -17.589 -6.089 -10.378 1.00 1.00 C ATOM 592 O LYS A 41 -17.828 -7.242 -10.072 1.00 1.00 O ATOM 593 CB LYS A 41 -19.493 -4.796 -11.367 1.00 1.00 C ATOM 594 CG LYS A 41 -20.641 -3.786 -11.189 1.00 1.00 C ATOM 595 CD LYS A 41 -21.580 -4.113 -10.019 1.00 1.00 C ATOM 596 CE LYS A 41 -21.162 -3.392 -8.718 1.00 1.00 C ATOM 597 NZ LYS A 41 -20.935 -1.922 -8.914 1.00 1.00 N ATOM 0 H LYS A 41 -18.047 -3.005 -10.314 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.282 -5.324 -9.326 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -18.860 -4.461 -12.189 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -19.918 -5.755 -11.663 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -20.218 -2.793 -11.036 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -21.223 -3.746 -12.110 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -22.598 -3.826 -10.281 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.586 -5.190 -9.850 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -21.935 -3.538 -7.963 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -20.250 -3.848 -8.333 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -20.909 -1.448 -7.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -20.030 -1.773 -9.405 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -21.708 -1.524 -9.485 1.00 1.00 H new ATOM 611 N GLU A 42 -16.426 -5.683 -10.878 1.00 1.00 N ATOM 612 CA GLU A 42 -15.370 -6.616 -11.200 1.00 1.00 C ATOM 613 C GLU A 42 -14.877 -7.294 -9.944 1.00 1.00 C ATOM 614 O GLU A 42 -14.709 -8.501 -9.914 1.00 1.00 O ATOM 615 CB GLU A 42 -14.208 -5.905 -11.867 1.00 1.00 C ATOM 616 CG GLU A 42 -14.564 -5.218 -13.155 1.00 1.00 C ATOM 617 CD GLU A 42 -13.355 -4.614 -13.817 1.00 1.00 C ATOM 618 OE1 GLU A 42 -13.015 -3.462 -13.515 1.00 1.00 O ATOM 619 OE2 GLU A 42 -12.713 -5.300 -14.638 1.00 1.00 O ATOM 0 H GLU A 42 -16.198 -4.707 -11.067 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.774 -7.359 -11.887 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.802 -5.167 -11.175 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.417 -6.629 -12.061 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -15.030 -5.934 -13.832 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -15.300 -4.438 -12.960 1.00 1.00 H new ATOM 626 N LYS A 43 -14.652 -6.504 -8.907 1.00 1.00 N ATOM 627 CA LYS A 43 -14.196 -7.028 -7.633 1.00 1.00 C ATOM 628 C LYS A 43 -15.286 -7.884 -6.974 1.00 1.00 C ATOM 629 O LYS A 43 -15.006 -8.952 -6.428 1.00 1.00 O ATOM 630 CB LYS A 43 -13.754 -5.891 -6.702 1.00 1.00 C ATOM 631 CG LYS A 43 -13.029 -6.364 -5.447 1.00 1.00 C ATOM 632 CD LYS A 43 -12.441 -5.198 -4.665 1.00 1.00 C ATOM 633 CE LYS A 43 -10.926 -5.097 -4.833 1.00 1.00 C ATOM 634 NZ LYS A 43 -10.531 -4.665 -6.198 1.00 1.00 N ATOM 0 H LYS A 43 -14.779 -5.492 -8.925 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.332 -7.666 -7.818 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -13.100 -5.216 -7.254 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.631 -5.315 -6.407 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.722 -6.916 -4.812 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -12.233 -7.055 -5.725 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -12.905 -4.269 -4.997 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -12.681 -5.314 -3.608 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -10.529 -4.391 -4.103 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -10.475 -6.065 -4.617 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -9.494 -4.612 -6.259 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -10.885 -5.351 -6.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.937 -3.729 -6.397 1.00 1.00 H new ATOM 648 N MET A 44 -16.530 -7.407 -7.049 1.00 1.00 N ATOM 649 CA MET A 44 -17.670 -8.109 -6.456 1.00 1.00 C ATOM 650 C MET A 44 -17.890 -9.461 -7.118 1.00 1.00 C ATOM 651 O MET A 44 -18.137 -10.461 -6.437 1.00 1.00 O ATOM 652 CB MET A 44 -18.949 -7.276 -6.571 1.00 1.00 C ATOM 653 CG MET A 44 -18.857 -5.912 -5.915 1.00 1.00 C ATOM 654 SD MET A 44 -20.392 -5.397 -5.186 1.00 1.00 S ATOM 655 CE MET A 44 -20.381 -6.492 -3.781 1.00 1.00 C ATOM 0 H MET A 44 -16.774 -6.534 -7.517 1.00 1.00 H new ATOM 0 HA MET A 44 -17.438 -8.264 -5.402 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.192 -7.145 -7.626 1.00 1.00 H new ATOM 0 HB3 MET A 44 -19.773 -7.830 -6.121 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.084 -5.934 -5.147 1.00 1.00 H new ATOM 0 HG3 MET A 44 -18.547 -5.176 -6.657 1.00 1.00 H new ATOM 0 HE1 MET A 44 -21.401 -6.803 -3.554 1.00 1.00 H new ATOM 0 HE2 MET A 44 -19.776 -7.370 -4.008 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.960 -5.974 -2.919 1.00 1.00 H new ATOM 665 N LEU A 45 -17.782 -9.506 -8.452 1.00 1.00 N ATOM 666 CA LEU A 45 -17.955 -10.760 -9.162 1.00 1.00 C ATOM 667 C LEU A 45 -16.747 -11.659 -8.991 1.00 1.00 C ATOM 668 O LEU A 45 -16.863 -12.865 -9.031 1.00 1.00 O ATOM 669 CB LEU A 45 -18.362 -10.585 -10.664 1.00 1.00 C ATOM 670 CG LEU A 45 -17.427 -9.792 -11.607 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.264 -10.646 -12.109 1.00 1.00 C ATOM 672 CD2 LEU A 45 -18.218 -9.237 -12.786 1.00 1.00 C ATOM 0 H LEU A 45 -17.579 -8.700 -9.044 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.807 -11.257 -8.698 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.490 -11.581 -11.088 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.339 -10.101 -10.686 1.00 1.00 H new ATOM 0 HG LEU A 45 -17.005 -8.967 -11.033 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.633 -10.050 -12.768 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.676 -10.994 -11.260 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.653 -11.504 -12.658 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.550 -8.681 -13.443 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.670 -10.059 -13.340 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -19.001 -8.573 -12.419 1.00 1.00 H new ATOM 684 N ASP A 46 -15.602 -11.060 -8.762 1.00 1.00 N ATOM 685 CA ASP A 46 -14.346 -11.798 -8.591 1.00 1.00 C ATOM 686 C ASP A 46 -14.396 -12.715 -7.378 1.00 1.00 C ATOM 687 O ASP A 46 -13.804 -13.785 -7.363 1.00 1.00 O ATOM 688 CB ASP A 46 -13.160 -10.845 -8.471 1.00 1.00 C ATOM 689 CG ASP A 46 -11.864 -11.567 -8.195 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.261 -12.116 -9.132 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.432 -11.597 -7.037 1.00 1.00 O ATOM 0 H ASP A 46 -15.502 -10.048 -8.687 1.00 1.00 H new ATOM 0 HA ASP A 46 -14.215 -12.413 -9.481 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.064 -10.272 -9.393 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.352 -10.131 -7.670 1.00 1.00 H new ATOM 696 N GLN A 47 -15.103 -12.295 -6.375 1.00 1.00 N ATOM 697 CA GLN A 47 -15.196 -13.059 -5.152 1.00 1.00 C ATOM 698 C GLN A 47 -16.027 -14.333 -5.370 1.00 1.00 C ATOM 699 O GLN A 47 -15.795 -15.362 -4.731 1.00 1.00 O ATOM 700 CB GLN A 47 -15.862 -12.221 -4.050 1.00 1.00 C ATOM 701 CG GLN A 47 -15.237 -10.849 -3.786 1.00 1.00 C ATOM 702 CD GLN A 47 -13.859 -10.880 -3.147 1.00 1.00 C ATOM 703 OE1 GLN A 47 -13.083 -11.816 -3.332 1.00 1.00 O ATOM 704 NE2 GLN A 47 -13.552 -9.850 -2.377 1.00 1.00 N ATOM 0 H GLN A 47 -15.631 -11.422 -6.372 1.00 1.00 H new ATOM 0 HA GLN A 47 -14.184 -13.331 -4.851 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -16.910 -12.077 -4.313 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -15.841 -12.793 -3.122 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.170 -10.310 -4.731 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -15.907 -10.280 -3.141 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -14.222 -9.092 -2.248 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -12.645 -9.813 -1.912 1.00 1.00 H new ATOM 713 N LEU A 48 -16.976 -14.266 -6.300 1.00 1.00 N ATOM 714 CA LEU A 48 -17.966 -15.309 -6.432 1.00 1.00 C ATOM 715 C LEU A 48 -17.878 -16.013 -7.757 1.00 1.00 C ATOM 716 O LEU A 48 -17.754 -17.237 -7.836 1.00 1.00 O ATOM 717 CB LEU A 48 -19.320 -14.646 -6.385 1.00 1.00 C ATOM 718 CG LEU A 48 -19.529 -13.631 -5.296 1.00 1.00 C ATOM 719 CD1 LEU A 48 -20.809 -12.892 -5.533 1.00 1.00 C ATOM 720 CD2 LEU A 48 -19.516 -14.296 -3.947 1.00 1.00 C ATOM 0 H LEU A 48 -17.073 -13.500 -6.967 1.00 1.00 H new ATOM 0 HA LEU A 48 -17.805 -16.036 -5.636 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -19.496 -14.159 -7.344 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -20.077 -15.423 -6.278 1.00 1.00 H new ATOM 0 HG LEU A 48 -18.711 -12.910 -5.312 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -20.957 -12.157 -4.742 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.763 -12.384 -6.496 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -21.641 -13.596 -5.534 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -19.669 -13.547 -3.170 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -20.314 -15.036 -3.899 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -18.555 -14.788 -3.793 1.00 1.00 H new ATOM 964 N LEU A 63 -24.798 -4.877 -18.408 1.00 1.00 N ATOM 965 CA LEU A 63 -25.784 -5.032 -17.366 1.00 1.00 C ATOM 966 C LEU A 63 -25.780 -3.863 -16.394 1.00 1.00 C ATOM 967 O LEU A 63 -24.808 -3.095 -16.335 1.00 1.00 O ATOM 968 CB LEU A 63 -25.644 -6.394 -16.652 1.00 1.00 C ATOM 969 CG LEU A 63 -24.380 -6.672 -15.817 1.00 1.00 C ATOM 970 CD1 LEU A 63 -24.424 -5.958 -14.471 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.241 -8.157 -15.603 1.00 1.00 C ATOM 0 HA LEU A 63 -26.763 -5.025 -17.845 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.505 -6.511 -15.994 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -25.715 -7.173 -17.411 1.00 1.00 H new ATOM 0 HG LEU A 63 -23.519 -6.289 -16.366 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -23.515 -6.179 -13.912 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -24.498 -4.883 -14.632 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -25.290 -6.301 -13.905 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.347 -8.357 -15.012 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.117 -8.532 -15.074 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -24.158 -8.657 -16.568 1.00 1.00 H new ATOM 983 N ASP A 64 -26.849 -3.727 -15.646 1.00 1.00 N ATOM 984 CA ASP A 64 -26.997 -2.635 -14.709 1.00 1.00 C ATOM 985 C ASP A 64 -27.093 -3.139 -13.293 1.00 1.00 C ATOM 986 O ASP A 64 -27.447 -4.311 -13.056 1.00 1.00 O ATOM 987 CB ASP A 64 -28.215 -1.777 -15.038 1.00 1.00 C ATOM 988 CG ASP A 64 -29.516 -2.559 -15.157 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.671 -3.353 -16.114 1.00 1.00 O ATOM 990 OD2 ASP A 64 -30.404 -2.375 -14.325 1.00 1.00 O ATOM 0 H ASP A 64 -27.641 -4.369 -15.668 1.00 1.00 H new ATOM 0 HA ASP A 64 -26.105 -2.016 -14.799 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -28.330 -1.018 -14.264 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -28.033 -1.252 -15.976 1.00 1.00 H new ATOM 995 N VAL A 65 -26.769 -2.276 -12.342 1.00 1.00 N ATOM 996 CA VAL A 65 -26.825 -2.646 -10.956 1.00 1.00 C ATOM 997 C VAL A 65 -27.748 -1.709 -10.199 1.00 1.00 C ATOM 998 O VAL A 65 -27.595 -0.482 -10.265 1.00 1.00 O ATOM 999 CB VAL A 65 -25.384 -2.676 -10.282 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.617 -1.382 -10.501 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -25.458 -2.984 -8.790 1.00 1.00 C ATOM 0 H VAL A 65 -26.466 -1.318 -12.515 1.00 1.00 H new ATOM 0 HA VAL A 65 -27.223 -3.659 -10.905 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.842 -3.482 -10.777 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.640 -1.452 -10.022 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.486 -1.213 -11.570 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.174 -0.551 -10.068 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -24.452 -2.995 -8.370 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -26.052 -2.219 -8.290 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.923 -3.959 -8.642 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.698 -2.266 -9.487 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.520 -1.471 -8.681 1.00 1.00 C ATOM 1013 C GLU A 66 -28.886 -1.433 -7.348 1.00 1.00 C ATOM 1014 O GLU A 66 -28.773 -2.454 -6.645 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.951 -1.980 -8.582 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.816 -1.079 -7.707 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.240 -1.514 -7.608 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.521 -2.478 -6.899 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -34.113 -0.850 -8.203 1.00 1.00 O ATOM 0 H GLU A 66 -28.902 -3.265 -9.465 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.607 -0.479 -9.124 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -31.384 -2.041 -9.580 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -30.949 -2.990 -8.173 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.388 -1.043 -6.705 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.784 -0.065 -8.104 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.444 -0.308 -7.010 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.786 -0.132 -5.813 1.00 1.00 C ATOM 1028 C TRP A 67 -28.761 0.294 -4.786 1.00 1.00 C ATOM 1029 O TRP A 67 -29.439 1.319 -4.927 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.703 0.891 -5.953 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.703 0.783 -4.878 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -25.931 0.958 -3.555 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.321 0.475 -5.023 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -24.812 0.768 -2.850 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -23.769 0.476 -3.741 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.494 0.192 -6.123 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.412 0.216 -3.527 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.161 -0.063 -5.904 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.632 -0.052 -4.618 1.00 1.00 C ATOM 0 H TRP A 67 -28.533 0.537 -7.575 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.325 -1.073 -5.514 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.212 0.770 -6.919 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.142 1.889 -5.941 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -26.888 1.216 -3.127 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -24.730 0.826 -1.835 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -23.899 0.175 -7.124 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -21.993 0.226 -2.532 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.515 -0.275 -6.743 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.582 -0.260 -4.478 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.834 -0.461 -3.766 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.699 -0.193 -2.713 1.00 1.00 C ATOM 1052 C ARG A 68 -28.881 0.155 -1.513 1.00 1.00 C ATOM 1053 O ARG A 68 -28.444 -0.696 -0.739 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.629 -1.377 -2.507 1.00 1.00 C ATOM 1055 CG ARG A 68 -31.549 -1.564 -3.707 1.00 1.00 C ATOM 1056 CD ARG A 68 -32.414 -2.783 -3.603 1.00 1.00 C ATOM 1057 NE ARG A 68 -31.667 -4.025 -3.827 1.00 1.00 N ATOM 1058 CZ ARG A 68 -32.146 -5.227 -3.495 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -33.359 -5.329 -2.987 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -31.426 -6.324 -3.687 1.00 1.00 N ATOM 0 H ARG A 68 -28.274 -1.305 -3.644 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.344 0.660 -2.922 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -30.042 -2.282 -2.350 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -31.225 -1.223 -1.608 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -32.184 -0.684 -3.811 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.946 -1.631 -4.612 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -32.875 -2.814 -2.616 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -33.223 -2.713 -4.331 1.00 1.00 H new ATOM 0 HE ARG A 68 -30.743 -3.969 -4.254 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -33.926 -4.493 -2.849 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.730 -6.244 -2.732 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -30.493 -6.257 -4.093 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -31.805 -7.235 -3.428 1.00 1.00 H new ATOM 1074 N SER A 69 -28.620 1.421 -1.411 1.00 1.00 N ATOM 1075 CA SER A 69 -27.846 1.971 -0.345 1.00 1.00 C ATOM 1076 C SER A 69 -28.738 2.222 0.835 1.00 1.00 C ATOM 1077 O SER A 69 -28.286 2.420 1.945 1.00 1.00 O ATOM 1078 CB SER A 69 -27.214 3.274 -0.824 1.00 1.00 C ATOM 1079 OG SER A 69 -28.193 4.117 -1.422 1.00 1.00 O ATOM 0 H SER A 69 -28.947 2.116 -2.083 1.00 1.00 H new ATOM 0 HA SER A 69 -27.059 1.278 -0.046 1.00 1.00 H new ATOM 0 HB2 SER A 69 -26.748 3.789 0.016 1.00 1.00 H new ATOM 0 HB3 SER A 69 -26.424 3.058 -1.543 1.00 1.00 H new ATOM 0 HG SER A 69 -27.945 4.297 -2.353 1.00 1.00 H new ATOM 1085 N GLY A 70 -30.002 2.234 0.564 1.00 1.00 N ATOM 1086 CA GLY A 70 -31.004 2.452 1.585 1.00 1.00 C ATOM 1087 C GLY A 70 -31.151 3.913 1.939 1.00 1.00 C ATOM 1088 O GLY A 70 -32.240 4.468 1.852 1.00 1.00 O ATOM 0 H GLY A 70 -30.382 2.093 -0.372 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.963 2.066 1.239 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -30.737 1.889 2.479 1.00 1.00 H new ATOM 1092 N VAL A 71 -30.040 4.542 2.305 1.00 1.00 N ATOM 1093 CA VAL A 71 -30.015 5.959 2.669 1.00 1.00 C ATOM 1094 C VAL A 71 -30.435 6.840 1.488 1.00 1.00 C ATOM 1095 O VAL A 71 -31.208 7.778 1.643 1.00 1.00 O ATOM 1096 CB VAL A 71 -28.616 6.404 3.216 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -28.259 5.622 4.462 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -27.511 6.250 2.166 1.00 1.00 C ATOM 0 H VAL A 71 -29.129 4.086 2.359 1.00 1.00 H new ATOM 0 HA VAL A 71 -30.738 6.090 3.474 1.00 1.00 H new ATOM 0 HB VAL A 71 -28.691 7.463 3.464 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -27.284 5.945 4.827 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -29.011 5.799 5.231 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -28.224 4.558 4.226 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -26.559 6.570 2.590 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -27.440 5.205 1.863 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -27.747 6.865 1.297 1.00 1.00 H new ATOM 1108 N ALA A 72 -29.943 6.506 0.305 1.00 1.00 N ATOM 1109 CA ALA A 72 -30.284 7.230 -0.894 1.00 1.00 C ATOM 1110 C ALA A 72 -31.439 6.529 -1.594 1.00 1.00 C ATOM 1111 O ALA A 72 -32.038 7.057 -2.534 1.00 1.00 O ATOM 1112 CB ALA A 72 -29.073 7.323 -1.811 1.00 1.00 C ATOM 0 H ALA A 72 -29.300 5.728 0.157 1.00 1.00 H new ATOM 0 HA ALA A 72 -30.591 8.243 -0.635 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -29.341 7.872 -2.714 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -28.266 7.844 -1.296 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -28.743 6.320 -2.081 1.00 1.00 H new ATOM 1118 N GLY A 73 -31.743 5.342 -1.116 1.00 1.00 N ATOM 1119 CA GLY A 73 -32.787 4.544 -1.668 1.00 1.00 C ATOM 1120 C GLY A 73 -32.229 3.494 -2.583 1.00 1.00 C ATOM 1121 O GLY A 73 -31.141 2.936 -2.328 1.00 1.00 O ATOM 0 H GLY A 73 -31.262 4.911 -0.327 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.352 4.070 -0.865 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -33.484 5.178 -2.217 1.00 1.00 H new ATOM 1125 N HIS A 74 -32.940 3.240 -3.634 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.526 2.286 -4.643 1.00 1.00 C ATOM 1127 C HIS A 74 -32.310 3.001 -5.961 1.00 1.00 C ATOM 1128 O HIS A 74 -33.244 3.510 -6.578 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.495 1.062 -4.770 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.880 1.320 -5.318 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.379 0.685 -6.434 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -35.864 2.123 -4.886 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.608 1.081 -6.646 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.929 1.950 -5.724 1.00 1.00 N ATOM 0 H HIS A 74 -33.836 3.687 -3.829 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.578 1.852 -4.326 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -33.015 0.318 -5.406 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.603 0.615 -3.782 1.00 1.00 H new ATOM 0 HD1 HIS A 74 -34.870 0.011 -7.006 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -35.822 2.784 -4.033 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.249 0.746 -7.448 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.079 3.052 -6.373 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.695 3.781 -7.554 1.00 1.00 C ATOM 1145 C LEU A 75 -30.033 2.863 -8.521 1.00 1.00 C ATOM 1146 O LEU A 75 -29.337 1.945 -8.119 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.709 4.910 -7.207 1.00 1.00 C ATOM 1148 CG LEU A 75 -30.216 6.093 -6.369 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -31.582 6.575 -6.832 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -30.214 5.753 -4.893 1.00 1.00 C ATOM 0 H LEU A 75 -30.304 2.587 -5.899 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.597 4.210 -7.990 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -28.868 4.464 -6.676 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -29.320 5.310 -8.143 1.00 1.00 H new ATOM 0 HG LEU A 75 -29.524 6.921 -6.521 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -31.902 7.412 -6.212 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.521 6.896 -7.872 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -32.303 5.763 -6.745 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -30.577 6.608 -4.322 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -30.864 4.896 -4.716 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -29.199 5.510 -4.577 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.245 3.087 -9.774 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.580 2.311 -10.772 1.00 1.00 C ATOM 1164 C ILE A 76 -28.236 2.939 -11.020 1.00 1.00 C ATOM 1165 O ILE A 76 -28.147 4.091 -11.467 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.363 2.284 -12.093 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.831 1.898 -11.850 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.699 1.334 -13.090 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -32.010 0.623 -11.069 1.00 1.00 C ATOM 0 H ILE A 76 -30.875 3.803 -10.135 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.491 1.284 -10.417 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.350 3.286 -12.522 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.326 2.710 -11.317 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.333 1.796 -12.812 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.267 1.327 -14.020 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.681 1.669 -13.289 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.675 0.327 -12.673 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.073 0.421 -10.941 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.547 -0.203 -11.609 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.540 0.726 -10.091 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.211 2.221 -10.709 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.889 2.708 -10.880 1.00 1.00 C ATOM 1183 C LEU A 77 -25.235 2.101 -12.088 1.00 1.00 C ATOM 1184 O LEU A 77 -25.413 0.926 -12.401 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.036 2.485 -9.628 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.101 3.568 -8.524 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.508 3.777 -8.035 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.238 3.158 -7.377 1.00 1.00 C ATOM 0 H LEU A 77 -27.269 1.277 -10.328 1.00 1.00 H new ATOM 0 HA LEU A 77 -25.962 3.784 -11.041 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.329 1.533 -9.185 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -23.997 2.384 -9.941 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.747 4.506 -8.951 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.514 4.544 -7.261 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.138 4.095 -8.866 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.893 2.844 -7.624 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.282 3.919 -6.598 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.592 2.208 -6.977 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.209 3.047 -7.718 1.00 1.00 H new ATOM 1200 N SER A 78 -24.519 2.911 -12.762 1.00 1.00 N ATOM 1201 CA SER A 78 -23.759 2.556 -13.917 1.00 1.00 C ATOM 1202 C SER A 78 -22.606 3.520 -13.975 1.00 1.00 C ATOM 1203 O SER A 78 -22.743 4.662 -13.522 1.00 1.00 O ATOM 1204 CB SER A 78 -24.597 2.681 -15.182 1.00 1.00 C ATOM 1205 OG SER A 78 -25.761 1.867 -15.118 1.00 1.00 O ATOM 0 H SER A 78 -24.435 3.898 -12.519 1.00 1.00 H new ATOM 0 HA SER A 78 -23.422 1.521 -13.853 1.00 1.00 H new ATOM 0 HB2 SER A 78 -24.887 3.722 -15.326 1.00 1.00 H new ATOM 0 HB3 SER A 78 -23.998 2.394 -16.046 1.00 1.00 H new ATOM 0 HG SER A 78 -26.278 1.971 -15.944 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.484 3.095 -14.474 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.339 3.976 -14.536 1.00 1.00 C ATOM 1213 C ASP A 79 -20.543 5.053 -15.577 1.00 1.00 C ATOM 1214 O ASP A 79 -20.246 6.212 -15.333 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.032 3.212 -14.750 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.043 2.319 -15.962 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -19.706 1.274 -15.919 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.386 2.631 -16.951 1.00 1.00 O ATOM 0 H ASP A 79 -21.330 2.156 -14.842 1.00 1.00 H new ATOM 0 HA ASP A 79 -20.250 4.465 -13.566 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.215 3.927 -14.844 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.826 2.608 -13.867 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.094 4.678 -16.706 1.00 1.00 N ATOM 1224 CA GLU A 80 -21.417 5.629 -17.745 1.00 1.00 C ATOM 1225 C GLU A 80 -22.917 5.851 -17.747 1.00 1.00 C ATOM 1226 O GLU A 80 -23.660 5.060 -18.320 1.00 1.00 O ATOM 1227 CB GLU A 80 -20.974 5.116 -19.119 1.00 1.00 C ATOM 1228 CG GLU A 80 -19.472 5.009 -19.299 1.00 1.00 C ATOM 1229 CD GLU A 80 -19.100 4.475 -20.661 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -19.330 5.168 -21.672 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -18.566 3.352 -20.744 1.00 1.00 O ATOM 0 H GLU A 80 -21.330 3.712 -16.931 1.00 1.00 H new ATOM 0 HA GLU A 80 -20.891 6.563 -17.547 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -21.418 4.134 -19.286 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -21.372 5.780 -19.886 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -19.020 5.991 -19.159 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -19.061 4.356 -18.529 1.00 1.00 H new ATOM 1433 N LEU A 93 -16.937 8.571 -14.169 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.508 7.276 -13.858 1.00 1.00 C ATOM 1435 C LEU A 93 -18.147 7.377 -12.469 1.00 1.00 C ATOM 1436 O LEU A 93 -17.673 8.154 -11.629 1.00 1.00 O ATOM 1437 CB LEU A 93 -16.394 6.214 -13.838 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.628 5.990 -15.157 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -14.413 5.112 -14.917 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.518 5.347 -16.199 1.00 1.00 C ATOM 0 HA LEU A 93 -18.250 6.991 -14.604 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.673 6.491 -13.069 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.835 5.264 -13.535 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.305 6.963 -15.526 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.881 4.962 -15.857 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.751 5.595 -14.199 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.733 4.147 -14.523 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.953 5.200 -17.120 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.870 4.383 -15.832 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.372 5.994 -16.397 1.00 1.00 H new ATOM 1452 N ASN A 94 -19.212 6.636 -12.214 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.845 6.712 -10.895 1.00 1.00 C ATOM 1454 C ASN A 94 -19.106 5.853 -9.896 1.00 1.00 C ATOM 1455 O ASN A 94 -18.693 4.744 -10.217 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.344 6.328 -10.920 1.00 1.00 C ATOM 1457 CG ASN A 94 -22.252 7.422 -11.444 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -22.510 8.406 -10.768 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.774 7.243 -12.631 1.00 1.00 N ATOM 0 H ASN A 94 -19.650 5.993 -12.874 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.788 7.756 -10.588 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.470 5.439 -11.537 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.657 6.063 -9.910 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.416 7.936 -13.016 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.539 6.410 -13.171 1.00 1.00 H new ATOM 1466 N THR A 95 -18.909 6.388 -8.724 1.00 1.00 N ATOM 1467 CA THR A 95 -18.285 5.728 -7.621 1.00 1.00 C ATOM 1468 C THR A 95 -19.328 5.377 -6.596 1.00 1.00 C ATOM 1469 O THR A 95 -20.495 5.831 -6.704 1.00 1.00 O ATOM 1470 CB THR A 95 -17.381 6.734 -6.962 1.00 1.00 C ATOM 1471 OG1 THR A 95 -18.007 8.033 -7.047 1.00 1.00 O ATOM 1472 CG2 THR A 95 -16.057 6.779 -7.605 1.00 1.00 C ATOM 0 H THR A 95 -19.194 7.343 -8.505 1.00 1.00 H new ATOM 0 HA THR A 95 -17.760 4.838 -7.966 1.00 1.00 H new ATOM 0 HB THR A 95 -17.231 6.443 -5.922 1.00 1.00 H new ATOM 0 HG1 THR A 95 -17.364 8.684 -7.398 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.433 7.517 -7.101 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.586 5.798 -7.537 1.00 1.00 H new ATOM 0 HG23 THR A 95 -16.171 7.055 -8.653 1.00 1.00 H new ATOM 1480 N LEU A 96 -18.950 4.615 -5.591 1.00 1.00 N ATOM 1481 CA LEU A 96 -19.861 4.400 -4.494 1.00 1.00 C ATOM 1482 C LEU A 96 -19.953 5.690 -3.708 1.00 1.00 C ATOM 1483 O LEU A 96 -20.977 5.993 -3.104 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.513 3.162 -3.602 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.327 3.245 -2.605 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -18.705 3.976 -1.317 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -17.858 1.852 -2.265 1.00 1.00 C ATOM 0 H LEU A 96 -18.046 4.148 -5.513 1.00 1.00 H new ATOM 0 HA LEU A 96 -20.839 4.141 -4.899 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.405 2.913 -3.028 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.319 2.323 -4.270 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.531 3.811 -3.088 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -17.843 4.009 -0.651 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -19.019 4.992 -1.554 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.523 3.449 -0.826 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.025 1.909 -1.565 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -18.676 1.293 -1.811 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -17.534 1.345 -3.174 1.00 1.00 H new ATOM 1499 N GLN A 97 -18.854 6.475 -3.748 1.00 1.00 N ATOM 1500 CA GLN A 97 -18.795 7.778 -3.110 1.00 1.00 C ATOM 1501 C GLN A 97 -19.763 8.765 -3.744 1.00 1.00 C ATOM 1502 O GLN A 97 -20.180 9.721 -3.102 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.385 8.333 -3.134 1.00 1.00 C ATOM 1504 CG GLN A 97 -16.987 9.111 -4.384 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.500 9.109 -4.589 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -14.896 10.107 -4.988 1.00 1.00 O ATOM 1507 NE2 GLN A 97 -14.924 7.972 -4.394 1.00 1.00 N ATOM 0 H GLN A 97 -17.993 6.210 -4.226 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.097 7.638 -2.072 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.259 8.986 -2.270 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -16.689 7.504 -3.011 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.475 8.674 -5.255 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.342 10.138 -4.302 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.468 7.175 -4.063 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -13.925 7.870 -4.571 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.099 8.544 -5.007 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.005 9.440 -5.724 1.00 1.00 C ATOM 1518 C HIS A 98 -22.347 9.442 -5.029 1.00 1.00 C ATOM 1519 O HIS A 98 -22.969 10.477 -4.865 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.159 9.017 -7.200 1.00 1.00 C ATOM 1521 CG HIS A 98 -21.850 10.030 -8.093 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -21.170 10.830 -8.988 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -23.159 10.353 -8.237 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -22.025 11.593 -9.637 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -23.236 11.323 -9.204 1.00 1.00 N ATOM 0 H HIS A 98 -19.761 7.755 -5.558 1.00 1.00 H new ATOM 0 HA HIS A 98 -20.587 10.446 -5.717 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.169 8.812 -7.608 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.719 8.082 -7.237 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -23.987 9.926 -7.692 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -21.773 12.318 -10.397 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -24.095 11.764 -9.534 1.00 1.00 H new ATOM 1534 N TYR A 99 -22.779 8.272 -4.622 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.021 8.141 -3.897 1.00 1.00 C ATOM 1536 C TYR A 99 -23.780 8.011 -2.385 1.00 1.00 C ATOM 1537 O TYR A 99 -24.734 7.984 -1.616 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.810 6.936 -4.430 1.00 1.00 C ATOM 1539 CG TYR A 99 -25.305 7.110 -5.859 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -24.466 6.884 -6.950 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.607 7.513 -6.115 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -24.917 7.056 -8.248 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -27.065 7.682 -7.408 1.00 1.00 C ATOM 1544 CZ TYR A 99 -26.218 7.453 -8.469 1.00 1.00 C ATOM 1545 OH TYR A 99 -26.681 7.627 -9.765 1.00 1.00 O ATOM 0 H TYR A 99 -22.286 7.393 -4.781 1.00 1.00 H new ATOM 0 HA TYR A 99 -24.607 9.047 -4.054 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.179 6.049 -4.379 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -25.665 6.756 -3.778 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -23.447 6.569 -6.780 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -27.276 7.698 -5.288 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -24.253 6.880 -9.082 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -28.084 7.993 -7.586 1.00 1.00 H new ATOM 0 HH TYR A 99 -27.620 7.907 -9.742 1.00 1.00 H new ATOM 1555 N LYS A 100 -22.491 7.946 -1.985 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.051 7.772 -0.583 1.00 1.00 C ATOM 1557 C LYS A 100 -22.859 6.730 0.142 1.00 1.00 C ATOM 1558 O LYS A 100 -23.641 7.030 1.052 1.00 1.00 O ATOM 1559 CB LYS A 100 -21.952 9.091 0.209 1.00 1.00 C ATOM 1560 CG LYS A 100 -20.678 9.905 -0.059 1.00 1.00 C ATOM 1561 CD LYS A 100 -19.416 9.152 0.398 1.00 1.00 C ATOM 1562 CE LYS A 100 -18.148 9.976 0.172 1.00 1.00 C ATOM 1563 NZ LYS A 100 -16.914 9.242 0.580 1.00 1.00 N ATOM 0 H LYS A 100 -21.712 8.014 -2.640 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.029 7.399 -0.647 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -22.818 9.708 -0.029 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -22.005 8.865 1.274 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -20.604 10.126 -1.124 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -20.740 10.861 0.461 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -19.504 8.904 1.456 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -19.339 8.210 -0.145 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -18.076 10.246 -0.882 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -18.217 10.907 0.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -16.115 9.553 -0.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -16.706 9.441 1.579 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -17.060 8.220 0.454 1.00 1.00 H new ATOM 1577 N VAL A 101 -22.681 5.508 -0.276 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.437 4.413 0.286 1.00 1.00 C ATOM 1579 C VAL A 101 -22.922 4.026 1.680 1.00 1.00 C ATOM 1580 O VAL A 101 -21.737 4.195 1.976 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.471 3.184 -0.662 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.731 3.615 -2.091 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.209 2.347 -0.566 1.00 1.00 C ATOM 0 H VAL A 101 -22.019 5.240 -1.005 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.463 4.763 0.399 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.296 2.550 -0.336 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.751 2.738 -2.738 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.691 4.129 -2.147 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.939 4.289 -2.418 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.282 1.500 -1.248 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.347 2.957 -0.835 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.091 1.982 0.454 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.808 3.540 2.557 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.441 3.132 3.907 1.00 1.00 C ATOM 1595 C PRO A 102 -22.680 1.828 3.935 1.00 1.00 C ATOM 1596 O PRO A 102 -22.682 1.055 2.951 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.785 2.988 4.610 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.696 2.575 3.531 1.00 1.00 C ATOM 1599 CD PRO A 102 -25.245 3.337 2.315 1.00 1.00 C ATOM 0 HA PRO A 102 -22.773 3.851 4.381 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.744 2.245 5.406 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -25.102 3.926 5.066 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.644 1.499 3.363 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.731 2.809 3.780 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.423 2.774 1.399 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.774 4.285 2.215 1.00 1.00 H new ATOM 1607 N ASP A 103 -22.028 1.583 5.046 1.00 1.00 N ATOM 1608 CA ASP A 103 -21.285 0.370 5.240 1.00 1.00 C ATOM 1609 C ASP A 103 -22.232 -0.806 5.244 1.00 1.00 C ATOM 1610 O ASP A 103 -23.122 -0.916 6.098 1.00 1.00 O ATOM 1611 CB ASP A 103 -20.463 0.419 6.552 1.00 1.00 C ATOM 1612 CG ASP A 103 -21.283 0.774 7.786 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -21.670 1.956 7.936 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -21.552 -0.119 8.625 1.00 1.00 O ATOM 0 H ASP A 103 -22.000 2.223 5.840 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.578 0.258 4.418 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.991 -0.551 6.709 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -19.661 1.149 6.439 1.00 1.00 H new ATOM 1619 N GLY A 104 -22.066 -1.672 4.287 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.929 -2.811 4.195 1.00 1.00 C ATOM 1621 C GLY A 104 -24.150 -2.512 3.372 1.00 1.00 C ATOM 1622 O GLY A 104 -25.248 -2.974 3.685 1.00 1.00 O ATOM 0 H GLY A 104 -21.347 -1.612 3.566 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.386 -3.646 3.752 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.230 -3.122 5.195 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.981 -1.695 2.349 1.00 1.00 N ATOM 1627 CA ALA A 105 -25.069 -1.408 1.429 1.00 1.00 C ATOM 1628 C ALA A 105 -25.308 -2.611 0.521 1.00 1.00 C ATOM 1629 O ALA A 105 -24.450 -3.498 0.407 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.793 -0.157 0.623 1.00 1.00 C ATOM 0 H ALA A 105 -23.105 -1.219 2.133 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.974 -1.222 2.007 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.626 0.030 -0.055 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.676 0.692 1.297 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.878 -0.290 0.046 1.00 1.00 H new ATOM 1636 N THR A 106 -26.438 -2.657 -0.112 1.00 1.00 N ATOM 1637 CA THR A 106 -26.791 -3.813 -0.896 1.00 1.00 C ATOM 1638 C THR A 106 -26.744 -3.504 -2.376 1.00 1.00 C ATOM 1639 O THR A 106 -27.393 -2.582 -2.845 1.00 1.00 O ATOM 1640 CB THR A 106 -28.209 -4.309 -0.532 1.00 1.00 C ATOM 1641 OG1 THR A 106 -28.303 -4.481 0.886 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.522 -5.636 -1.218 1.00 1.00 C ATOM 0 H THR A 106 -27.135 -1.912 -0.106 1.00 1.00 H new ATOM 0 HA THR A 106 -26.063 -4.592 -0.670 1.00 1.00 H new ATOM 0 HB THR A 106 -28.929 -3.565 -0.872 1.00 1.00 H new ATOM 0 HG1 THR A 106 -29.202 -4.794 1.119 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.526 -5.960 -0.943 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.465 -5.509 -2.299 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.799 -6.388 -0.902 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.979 -4.256 -3.099 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.954 -4.115 -4.521 1.00 1.00 C ATOM 1652 C VAL A 107 -26.719 -5.269 -5.137 1.00 1.00 C ATOM 1653 O VAL A 107 -26.740 -6.368 -4.584 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.504 -4.079 -5.100 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.647 -3.076 -4.353 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.844 -5.456 -5.088 1.00 1.00 C ATOM 0 H VAL A 107 -25.360 -4.977 -2.728 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.417 -3.160 -4.769 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.586 -3.765 -6.140 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.642 -3.070 -4.775 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.085 -2.082 -4.446 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.596 -3.353 -3.300 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.838 -5.381 -5.500 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.790 -5.825 -4.064 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -24.432 -6.147 -5.692 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.392 -5.011 -6.207 1.00 1.00 N ATOM 1667 CA ALA A 108 -28.050 -6.047 -6.943 1.00 1.00 C ATOM 1668 C ALA A 108 -27.879 -5.788 -8.392 1.00 1.00 C ATOM 1669 O ALA A 108 -28.093 -4.706 -8.842 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.502 -6.132 -6.606 1.00 1.00 C ATOM 0 H ALA A 108 -27.504 -4.076 -6.600 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.599 -7.002 -6.673 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -29.964 -6.931 -7.186 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.617 -6.343 -5.543 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -29.986 -5.185 -6.843 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.518 -6.768 -9.112 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.265 -6.583 -10.521 1.00 1.00 C ATOM 1678 C LEU A 109 -28.207 -7.412 -11.332 1.00 1.00 C ATOM 1679 O LEU A 109 -28.580 -8.518 -10.919 1.00 1.00 O ATOM 1680 CB LEU A 109 -25.782 -6.837 -10.903 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.221 -8.261 -10.725 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.058 -8.485 -11.675 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -24.758 -8.486 -9.294 1.00 1.00 C ATOM 0 H LEU A 109 -27.384 -7.720 -8.771 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.450 -5.534 -10.753 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.654 -6.556 -11.948 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -25.165 -6.159 -10.313 1.00 1.00 H new ATOM 0 HG LEU A 109 -26.018 -8.970 -10.950 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -23.668 -9.494 -11.542 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -24.399 -8.360 -12.703 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -23.271 -7.761 -11.463 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -24.366 -9.498 -9.193 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -23.976 -7.768 -9.047 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -25.600 -8.353 -8.614 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.628 -6.881 -12.447 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.574 -7.555 -13.310 1.00 1.00 C ATOM 1697 C VAL A 110 -28.957 -7.669 -14.715 1.00 1.00 C ATOM 1698 O VAL A 110 -27.996 -6.982 -14.998 1.00 1.00 O ATOM 1699 CB VAL A 110 -30.937 -6.784 -13.355 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.478 -6.554 -11.962 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.793 -5.475 -14.062 1.00 1.00 C ATOM 0 H VAL A 110 -28.328 -5.968 -12.788 1.00 1.00 H new ATOM 0 HA VAL A 110 -29.782 -8.552 -12.921 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.642 -7.405 -13.908 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.425 -6.017 -12.023 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.637 -7.514 -11.470 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.763 -5.965 -11.387 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.755 -4.962 -14.078 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.061 -4.858 -13.540 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.458 -5.649 -15.084 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.498 -8.516 -15.615 1.00 1.00 N ATOM 1712 CA PRO A 111 -28.922 -8.723 -16.947 1.00 1.00 C ATOM 1713 C PRO A 111 -29.410 -7.663 -17.940 1.00 1.00 C ATOM 1714 O PRO A 111 -29.971 -7.990 -18.993 1.00 1.00 O ATOM 1715 CB PRO A 111 -29.453 -10.107 -17.322 1.00 1.00 C ATOM 1716 CG PRO A 111 -30.793 -10.184 -16.666 1.00 1.00 C ATOM 1717 CD PRO A 111 -30.730 -9.305 -15.437 1.00 1.00 C ATOM 0 HA PRO A 111 -27.835 -8.649 -16.963 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -29.533 -10.222 -18.403 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -28.791 -10.896 -16.966 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -31.575 -9.844 -17.344 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -31.032 -11.212 -16.394 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -31.607 -8.662 -15.363 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -30.693 -9.900 -14.524 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.180 -6.401 -17.580 1.00 1.00 N ATOM 1726 CA CYS A 112 -29.646 -5.243 -18.332 1.00 1.00 C ATOM 1727 C CYS A 112 -31.162 -5.225 -18.345 1.00 1.00 C ATOM 1728 O CYS A 112 -31.803 -5.693 -19.291 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.091 -5.213 -19.752 1.00 1.00 C ATOM 1730 SG CYS A 112 -29.090 -3.584 -20.527 1.00 1.00 S ATOM 0 H CYS A 112 -28.655 -6.153 -16.742 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.275 -4.347 -17.834 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -28.070 -5.593 -19.736 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -29.676 -5.894 -20.370 1.00 1.00 H new ATOM 0 HG CYS A 112 -28.597 -3.674 -21.727 1.00 1.00 H new