USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 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 Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -70:sc= -0.927! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.576 USER MOD Single : A 14 SER OG : rot -41:sc= 0.21 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.344 K(o=0.34,f=-9.2!) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc=-0.000749 (180deg=-0.00737) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -108:sc= -2.82! (180deg=-4.81!) USER MOD Single : A 49 SER OG : rot 35:sc= -1.32 USER MOD Single : A 50 THR OG1 : rot -87:sc= 0.646 USER MOD Single : A 57 THR OG1 : rot 93:sc= -2.76! USER MOD Single : A 58 GLN : amide:sc= -4.82! C(o=-4.8!,f=-12!) USER MOD Single : A 62 ASN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -4.22! USER MOD Single : A 69 LYS NZ :NH3+ 134:sc= -1.87! (180deg=-3.62!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -2! (180deg=-2.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 18.857 16.020 -6.050 1.00 0.00 N ATOM 2 CA ASN A 1 19.544 14.965 -5.254 1.00 0.00 C ATOM 3 C ASN A 1 19.261 13.593 -5.871 1.00 0.00 C ATOM 4 O ASN A 1 20.145 12.946 -6.397 1.00 0.00 O ATOM 5 CB ASN A 1 19.024 14.992 -3.814 1.00 0.00 C ATOM 6 CG ASN A 1 20.147 14.592 -2.857 1.00 0.00 C ATOM 7 OD1 ASN A 1 20.639 15.410 -2.104 1.00 0.00 O ATOM 8 ND2 ASN A 1 20.578 13.361 -2.853 1.00 0.00 N ATOM 0 H1 ASN A 1 19.049 16.952 -5.631 1.00 0.00 H new ATOM 0 H2 ASN A 1 19.209 16.001 -7.028 1.00 0.00 H new ATOM 0 H3 ASN A 1 17.832 15.844 -6.048 1.00 0.00 H new ATOM 0 HA ASN A 1 20.618 15.151 -5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 1 18.659 15.989 -3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 1 18.181 14.309 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 1 21.327 13.085 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 1 20.166 12.674 -3.484 1.00 0.00 H new ATOM 17 N ALA A 2 18.038 13.147 -5.811 1.00 0.00 N ATOM 18 CA ALA A 2 17.700 11.818 -6.395 1.00 0.00 C ATOM 19 C ALA A 2 16.196 11.750 -6.671 1.00 0.00 C ATOM 20 O ALA A 2 15.763 11.209 -7.669 1.00 0.00 O ATOM 21 CB ALA A 2 18.089 10.714 -5.410 1.00 0.00 C ATOM 0 H ALA A 2 17.257 13.645 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 2 18.247 11.681 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.842 9.742 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 2 19.160 10.762 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.543 10.850 -4.477 1.00 0.00 H new ATOM 27 N GLU A 3 15.397 12.294 -5.794 1.00 0.00 N ATOM 28 CA GLU A 3 13.923 12.259 -6.007 1.00 0.00 C ATOM 29 C GLU A 3 13.495 10.840 -6.393 1.00 0.00 C ATOM 30 O GLU A 3 13.212 10.570 -7.544 1.00 0.00 O ATOM 31 CB GLU A 3 13.547 13.229 -7.130 1.00 0.00 C ATOM 32 CG GLU A 3 12.685 14.359 -6.563 1.00 0.00 C ATOM 33 CD GLU A 3 12.748 15.568 -7.498 1.00 0.00 C ATOM 34 OE1 GLU A 3 13.657 16.366 -7.342 1.00 0.00 O ATOM 35 OE2 GLU A 3 11.885 15.674 -8.354 1.00 0.00 O ATOM 0 H GLU A 3 15.701 12.761 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 3 13.416 12.553 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.448 13.639 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.004 12.701 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.654 14.024 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.037 14.636 -5.569 1.00 0.00 H new ATOM 42 N PRO A 4 13.460 9.973 -5.413 1.00 0.00 N ATOM 43 CA PRO A 4 13.072 8.565 -5.608 1.00 0.00 C ATOM 44 C PRO A 4 11.548 8.440 -5.711 1.00 0.00 C ATOM 45 O PRO A 4 10.938 7.619 -5.057 1.00 0.00 O ATOM 46 CB PRO A 4 13.590 7.872 -4.345 1.00 0.00 C ATOM 47 CG PRO A 4 13.728 8.975 -3.268 1.00 0.00 C ATOM 48 CD PRO A 4 13.809 10.317 -4.018 1.00 0.00 C ATOM 0 HA PRO A 4 13.476 8.132 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.900 7.094 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.549 7.390 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.875 8.962 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.620 8.815 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.116 11.048 -3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.807 10.751 -3.952 1.00 0.00 H new ATOM 56 N VAL A 5 10.929 9.247 -6.530 1.00 0.00 N ATOM 57 CA VAL A 5 9.448 9.171 -6.673 1.00 0.00 C ATOM 58 C VAL A 5 9.094 8.096 -7.702 1.00 0.00 C ATOM 59 O VAL A 5 9.813 7.878 -8.657 1.00 0.00 O ATOM 60 CB VAL A 5 8.916 10.525 -7.137 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.450 10.663 -6.727 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.732 11.639 -6.479 1.00 0.00 C ATOM 0 H VAL A 5 11.385 9.955 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 5 8.997 8.915 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 5 9.000 10.599 -8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.069 11.629 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.867 9.866 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.367 10.592 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.356 12.608 -6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.643 11.563 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.779 11.540 -6.765 1.00 0.00 H new ATOM 72 N SER A 6 7.998 7.409 -7.512 1.00 0.00 N ATOM 73 CA SER A 6 7.621 6.340 -8.480 1.00 0.00 C ATOM 74 C SER A 6 6.525 6.823 -9.428 1.00 0.00 C ATOM 75 O SER A 6 5.401 7.051 -9.030 1.00 0.00 O ATOM 76 CB SER A 6 7.095 5.117 -7.722 1.00 0.00 C ATOM 77 OG SER A 6 7.695 5.068 -6.434 1.00 0.00 O ATOM 0 H SER A 6 7.352 7.541 -6.734 1.00 0.00 H new ATOM 0 HA SER A 6 8.510 6.081 -9.056 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.010 5.172 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.322 4.206 -8.276 1.00 0.00 H new ATOM 0 HG SER A 6 8.644 4.840 -6.524 1.00 0.00 H new ATOM 83 N LYS A 7 6.833 6.922 -10.690 1.00 0.00 N ATOM 84 CA LYS A 7 5.798 7.318 -11.677 1.00 0.00 C ATOM 85 C LYS A 7 5.106 6.028 -12.104 1.00 0.00 C ATOM 86 O LYS A 7 5.638 5.254 -12.880 1.00 0.00 O ATOM 87 CB LYS A 7 6.454 7.987 -12.887 1.00 0.00 C ATOM 88 CG LYS A 7 5.371 8.531 -13.821 1.00 0.00 C ATOM 89 CD LYS A 7 5.378 10.060 -13.778 1.00 0.00 C ATOM 90 CE LYS A 7 4.370 10.604 -14.792 1.00 0.00 C ATOM 91 NZ LYS A 7 4.400 12.094 -14.772 1.00 0.00 N ATOM 0 H LYS A 7 7.759 6.745 -11.079 1.00 0.00 H new ATOM 0 HA LYS A 7 5.091 8.029 -11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.106 8.797 -12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.079 7.269 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.547 8.185 -14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.394 8.153 -13.521 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.125 10.407 -12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.376 10.436 -14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.609 10.238 -15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.368 10.247 -14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.715 12.464 -15.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.152 12.433 -13.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.354 12.425 -15.020 1.00 0.00 H new ATOM 105 N LEU A 8 3.958 5.749 -11.558 1.00 0.00 N ATOM 106 CA LEU A 8 3.287 4.470 -11.895 1.00 0.00 C ATOM 107 C LEU A 8 2.212 4.652 -12.959 1.00 0.00 C ATOM 108 O LEU A 8 1.314 5.460 -12.834 1.00 0.00 O ATOM 109 CB LEU A 8 2.625 3.892 -10.639 1.00 0.00 C ATOM 110 CG LEU A 8 3.557 2.891 -9.953 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.780 2.125 -8.880 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.100 1.895 -10.979 1.00 0.00 C ATOM 0 H LEU A 8 3.460 6.347 -10.898 1.00 0.00 H new ATOM 0 HA LEU A 8 4.051 3.796 -12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.376 4.698 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.689 3.402 -10.907 1.00 0.00 H new ATOM 0 HG LEU A 8 4.386 3.433 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.443 1.411 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.392 2.826 -8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.950 1.591 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.763 1.186 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.271 1.357 -11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.654 2.432 -11.749 1.00 0.00 H new ATOM 124 N ARG A 9 2.268 3.838 -13.971 1.00 0.00 N ATOM 125 CA ARG A 9 1.227 3.866 -15.023 1.00 0.00 C ATOM 126 C ARG A 9 0.475 2.553 -14.860 1.00 0.00 C ATOM 127 O ARG A 9 0.976 1.497 -15.190 1.00 0.00 O ATOM 128 CB ARG A 9 1.874 3.937 -16.407 1.00 0.00 C ATOM 129 CG ARG A 9 0.815 4.290 -17.454 1.00 0.00 C ATOM 130 CD ARG A 9 1.215 5.580 -18.170 1.00 0.00 C ATOM 131 NE ARG A 9 2.243 5.276 -19.207 1.00 0.00 N ATOM 132 CZ ARG A 9 1.876 4.827 -20.376 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.893 5.399 -21.017 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.495 3.808 -20.906 1.00 0.00 N ATOM 0 H ARG A 9 3.003 3.145 -14.114 1.00 0.00 H new ATOM 0 HA ARG A 9 0.571 4.732 -14.933 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.666 4.685 -16.411 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.337 2.981 -16.652 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.716 3.478 -18.174 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.157 4.413 -16.976 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.341 6.038 -18.633 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.609 6.300 -17.452 1.00 0.00 H new ATOM 0 HE ARG A 9 3.232 5.419 -19.003 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.411 6.198 -20.604 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.607 5.047 -21.931 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.265 3.363 -20.407 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.209 3.456 -21.820 1.00 0.00 H new ATOM 148 N ILE A 10 -0.692 2.594 -14.291 1.00 0.00 N ATOM 149 CA ILE A 10 -1.423 1.327 -14.041 1.00 0.00 C ATOM 150 C ILE A 10 -2.555 1.159 -15.059 1.00 0.00 C ATOM 151 O ILE A 10 -3.445 1.966 -15.152 1.00 0.00 O ATOM 152 CB ILE A 10 -1.973 1.362 -12.608 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.959 2.051 -11.672 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.210 -0.064 -12.108 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.708 2.674 -10.498 1.00 0.00 C ATOM 0 H ILE A 10 -1.169 3.444 -13.990 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.752 0.476 -14.152 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.912 1.916 -12.608 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.229 1.327 -11.311 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.406 2.818 -12.215 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.600 -0.033 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.930 -0.562 -12.758 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.269 -0.614 -12.119 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.998 3.163 -9.832 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.422 3.409 -10.870 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.241 1.895 -9.952 1.00 0.00 H new ATOM 167 N ARG A 11 -2.521 0.112 -15.833 1.00 0.00 N ATOM 168 CA ARG A 11 -3.587 -0.102 -16.850 1.00 0.00 C ATOM 169 C ARG A 11 -4.681 -1.005 -16.263 1.00 0.00 C ATOM 170 O ARG A 11 -4.449 -1.752 -15.335 1.00 0.00 O ATOM 171 CB ARG A 11 -2.952 -0.741 -18.103 1.00 0.00 C ATOM 172 CG ARG A 11 -3.844 -1.850 -18.680 1.00 0.00 C ATOM 173 CD ARG A 11 -3.705 -3.106 -17.819 1.00 0.00 C ATOM 174 NE ARG A 11 -3.607 -4.308 -18.696 1.00 0.00 N ATOM 175 CZ ARG A 11 -2.755 -4.329 -19.684 1.00 0.00 C ATOM 176 NH1 ARG A 11 -3.138 -3.984 -20.883 1.00 0.00 N ATOM 177 NH2 ARG A 11 -1.521 -4.698 -19.474 1.00 0.00 N ATOM 0 H ARG A 11 -1.799 -0.607 -15.805 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.045 0.846 -17.130 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.787 0.026 -18.860 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.976 -1.153 -17.848 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.883 -1.523 -18.702 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.556 -2.066 -19.709 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.819 -3.030 -17.189 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.563 -3.199 -17.153 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.207 -5.115 -18.523 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.103 -3.698 -21.048 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.472 -4.000 -21.656 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.222 -4.970 -18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.855 -4.714 -20.246 1.00 0.00 H new ATOM 191 N THR A 12 -5.869 -0.943 -16.805 1.00 0.00 N ATOM 192 CA THR A 12 -6.974 -1.803 -16.288 1.00 0.00 C ATOM 193 C THR A 12 -7.384 -2.800 -17.378 1.00 0.00 C ATOM 194 O THR A 12 -6.851 -2.771 -18.470 1.00 0.00 O ATOM 195 CB THR A 12 -8.183 -0.936 -15.906 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.151 -0.990 -16.944 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.748 0.515 -15.692 1.00 0.00 C ATOM 0 H THR A 12 -6.122 -0.334 -17.583 1.00 0.00 H new ATOM 0 HA THR A 12 -6.630 -2.339 -15.403 1.00 0.00 H new ATOM 0 HB THR A 12 -8.613 -1.318 -14.980 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.983 -0.574 -16.637 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.615 1.119 -15.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.011 0.559 -14.890 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.308 0.902 -16.611 1.00 0.00 H new ATOM 205 N PRO A 13 -8.318 -3.657 -17.048 1.00 0.00 N ATOM 206 CA PRO A 13 -8.820 -4.681 -17.981 1.00 0.00 C ATOM 207 C PRO A 13 -9.813 -4.064 -18.972 1.00 0.00 C ATOM 208 O PRO A 13 -10.194 -4.682 -19.947 1.00 0.00 O ATOM 209 CB PRO A 13 -9.519 -5.689 -17.064 1.00 0.00 C ATOM 210 CG PRO A 13 -9.872 -4.927 -15.765 1.00 0.00 C ATOM 211 CD PRO A 13 -8.958 -3.687 -15.716 1.00 0.00 C ATOM 0 HA PRO A 13 -8.033 -5.134 -18.584 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.417 -6.087 -17.537 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.868 -6.537 -16.852 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.922 -4.634 -15.761 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.714 -5.559 -14.891 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.529 -2.778 -15.528 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.218 -3.769 -14.920 1.00 0.00 H new ATOM 219 N SER A 14 -10.233 -2.853 -18.731 1.00 0.00 N ATOM 220 CA SER A 14 -11.200 -2.204 -19.661 1.00 0.00 C ATOM 221 C SER A 14 -10.452 -1.241 -20.588 1.00 0.00 C ATOM 222 O SER A 14 -11.049 -0.542 -21.383 1.00 0.00 O ATOM 223 CB SER A 14 -12.242 -1.429 -18.854 1.00 0.00 C ATOM 224 OG SER A 14 -13.347 -1.117 -19.692 1.00 0.00 O ATOM 0 H SER A 14 -9.949 -2.286 -17.932 1.00 0.00 H new ATOM 0 HA SER A 14 -11.698 -2.968 -20.258 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.573 -2.022 -18.001 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.803 -0.514 -18.455 1.00 0.00 H new ATOM 0 HG SER A 14 -13.021 -0.839 -20.573 1.00 0.00 H new ATOM 230 N GLY A 15 -9.151 -1.199 -20.494 1.00 0.00 N ATOM 231 CA GLY A 15 -8.370 -0.281 -21.371 1.00 0.00 C ATOM 232 C GLY A 15 -8.201 1.072 -20.676 1.00 0.00 C ATOM 233 O GLY A 15 -7.866 2.061 -21.298 1.00 0.00 O ATOM 0 H GLY A 15 -8.595 -1.760 -19.848 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.394 -0.714 -21.590 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.881 -0.150 -22.325 1.00 0.00 H new ATOM 237 N GLU A 16 -8.426 1.123 -19.393 1.00 0.00 N ATOM 238 CA GLU A 16 -8.275 2.411 -18.661 1.00 0.00 C ATOM 239 C GLU A 16 -6.834 2.543 -18.165 1.00 0.00 C ATOM 240 O GLU A 16 -6.080 1.589 -18.159 1.00 0.00 O ATOM 241 CB GLU A 16 -9.235 2.431 -17.470 1.00 0.00 C ATOM 242 CG GLU A 16 -10.331 3.471 -17.714 1.00 0.00 C ATOM 243 CD GLU A 16 -11.343 3.428 -16.567 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.272 2.503 -15.774 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.173 4.320 -16.501 1.00 0.00 O ATOM 0 H GLU A 16 -8.708 0.328 -18.819 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.507 3.243 -19.326 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.679 1.445 -17.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.691 2.668 -16.555 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.892 4.466 -17.788 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.831 3.272 -18.662 1.00 0.00 H new ATOM 252 N PHE A 17 -6.441 3.717 -17.748 1.00 0.00 N ATOM 253 CA PHE A 17 -5.046 3.898 -17.255 1.00 0.00 C ATOM 254 C PHE A 17 -5.042 4.821 -16.034 1.00 0.00 C ATOM 255 O PHE A 17 -5.496 5.947 -16.090 1.00 0.00 O ATOM 256 CB PHE A 17 -4.191 4.529 -18.359 1.00 0.00 C ATOM 257 CG PHE A 17 -3.404 3.459 -19.082 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.195 2.990 -18.550 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.880 2.944 -20.293 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.466 2.007 -19.229 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.152 1.960 -20.971 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.944 1.491 -20.440 1.00 0.00 C ATOM 0 H PHE A 17 -7.023 4.554 -17.728 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.638 2.926 -16.979 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.829 5.061 -19.064 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.510 5.263 -17.928 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.826 3.387 -17.616 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.810 3.306 -20.705 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.534 1.646 -18.819 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.522 1.562 -21.904 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.382 0.732 -20.964 1.00 0.00 H new ATOM 272 N LEU A 18 -4.505 4.360 -14.938 1.00 0.00 N ATOM 273 CA LEU A 18 -4.437 5.208 -13.721 1.00 0.00 C ATOM 274 C LEU A 18 -3.037 5.794 -13.636 1.00 0.00 C ATOM 275 O LEU A 18 -2.083 5.115 -13.295 1.00 0.00 O ATOM 276 CB LEU A 18 -4.687 4.381 -12.455 1.00 0.00 C ATOM 277 CG LEU A 18 -5.975 3.572 -12.575 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.129 4.469 -13.026 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.772 2.455 -13.589 1.00 0.00 C ATOM 0 H LEU A 18 -4.109 3.426 -14.836 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.199 5.984 -13.788 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.846 3.709 -12.284 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.748 5.042 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.221 3.149 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.040 3.876 -13.107 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.277 5.265 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.893 4.905 -13.997 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.690 1.874 -13.679 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.519 2.885 -14.558 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.962 1.805 -13.257 1.00 0.00 H new ATOM 291 N GLU A 19 -2.905 7.046 -13.933 1.00 0.00 N ATOM 292 CA GLU A 19 -1.563 7.685 -13.853 1.00 0.00 C ATOM 293 C GLU A 19 -1.333 8.104 -12.406 1.00 0.00 C ATOM 294 O GLU A 19 -2.119 8.830 -11.833 1.00 0.00 O ATOM 295 CB GLU A 19 -1.511 8.911 -14.768 1.00 0.00 C ATOM 296 CG GLU A 19 -0.056 9.349 -14.951 1.00 0.00 C ATOM 297 CD GLU A 19 -0.002 10.865 -15.156 1.00 0.00 C ATOM 298 OE1 GLU A 19 -0.760 11.558 -14.498 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.797 11.305 -15.966 1.00 0.00 O ATOM 0 H GLU A 19 -3.664 7.660 -14.228 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.790 6.987 -14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.956 8.676 -15.735 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.096 9.724 -14.338 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.532 9.068 -14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.383 8.839 -15.808 1.00 0.00 H new ATOM 306 N ARG A 20 -0.288 7.628 -11.792 1.00 0.00 N ATOM 307 CA ARG A 20 -0.065 7.987 -10.368 1.00 0.00 C ATOM 308 C ARG A 20 1.402 8.303 -10.090 1.00 0.00 C ATOM 309 O ARG A 20 2.301 7.640 -10.566 1.00 0.00 O ATOM 310 CB ARG A 20 -0.480 6.803 -9.500 1.00 0.00 C ATOM 311 CG ARG A 20 -0.984 7.301 -8.145 1.00 0.00 C ATOM 312 CD ARG A 20 -2.108 8.320 -8.353 1.00 0.00 C ATOM 313 NE ARG A 20 -1.548 9.700 -8.270 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.278 10.227 -7.108 1.00 0.00 C ATOM 315 NH1 ARG A 20 -2.154 10.994 -6.518 1.00 0.00 N ATOM 316 NH2 ARG A 20 -0.130 9.988 -6.534 1.00 0.00 N ATOM 0 H ARG A 20 0.412 7.014 -12.208 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.655 8.875 -10.141 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.261 6.231 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.366 6.131 -9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.346 6.462 -7.551 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.166 7.757 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.579 8.165 -9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.882 8.184 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.376 10.232 -9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.051 11.182 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.942 11.405 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.556 9.389 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.081 10.400 -5.625 1.00 0.00 H new ATOM 330 N ARG A 21 1.635 9.292 -9.277 1.00 0.00 N ATOM 331 CA ARG A 21 3.024 9.648 -8.897 1.00 0.00 C ATOM 332 C ARG A 21 3.125 9.472 -7.383 1.00 0.00 C ATOM 333 O ARG A 21 2.399 10.093 -6.633 1.00 0.00 O ATOM 334 CB ARG A 21 3.308 11.105 -9.275 1.00 0.00 C ATOM 335 CG ARG A 21 4.710 11.493 -8.804 1.00 0.00 C ATOM 336 CD ARG A 21 5.385 12.358 -9.870 1.00 0.00 C ATOM 337 NE ARG A 21 4.430 13.398 -10.345 1.00 0.00 N ATOM 338 CZ ARG A 21 3.946 14.273 -9.504 1.00 0.00 C ATOM 339 NH1 ARG A 21 4.496 14.426 -8.332 1.00 0.00 N ATOM 340 NH2 ARG A 21 2.911 14.995 -9.838 1.00 0.00 N ATOM 0 H ARG A 21 0.912 9.875 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 21 3.748 9.018 -9.413 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.227 11.234 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.566 11.761 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.651 12.038 -7.862 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.303 10.598 -8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.278 12.830 -9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.708 11.737 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 21 4.154 13.427 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.305 13.862 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.117 15.109 -7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.481 14.876 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.533 15.678 -9.182 1.00 0.00 H new ATOM 354 N PHE A 22 3.988 8.614 -6.918 1.00 0.00 N ATOM 355 CA PHE A 22 4.076 8.397 -5.448 1.00 0.00 C ATOM 356 C PHE A 22 5.423 8.839 -4.907 1.00 0.00 C ATOM 357 O PHE A 22 6.453 8.629 -5.516 1.00 0.00 O ATOM 358 CB PHE A 22 3.944 6.910 -5.128 1.00 0.00 C ATOM 359 CG PHE A 22 2.741 6.322 -5.799 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.457 6.682 -5.385 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.917 5.396 -6.829 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.346 6.118 -6.012 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.808 4.831 -7.452 1.00 0.00 C ATOM 364 CZ PHE A 22 0.521 5.193 -7.045 1.00 0.00 C ATOM 0 H PHE A 22 4.630 8.059 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 22 3.274 8.977 -4.992 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.841 6.383 -5.454 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.867 6.772 -4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.325 7.394 -4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.913 5.118 -7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.650 6.396 -5.699 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.942 4.114 -8.249 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.340 4.757 -7.530 1.00 0.00 H new ATOM 374 N LEU A 23 5.430 9.381 -3.726 1.00 0.00 N ATOM 375 CA LEU A 23 6.718 9.753 -3.107 1.00 0.00 C ATOM 376 C LEU A 23 7.365 8.443 -2.675 1.00 0.00 C ATOM 377 O LEU A 23 6.705 7.570 -2.159 1.00 0.00 O ATOM 378 CB LEU A 23 6.475 10.645 -1.887 1.00 0.00 C ATOM 379 CG LEU A 23 7.224 11.968 -2.059 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.725 11.694 -2.176 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.734 12.667 -3.330 1.00 0.00 C ATOM 0 H LEU A 23 4.600 9.581 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 23 7.353 10.307 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.408 10.833 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.812 10.140 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 23 7.038 12.607 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.258 12.637 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.075 11.194 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.912 11.056 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.266 13.610 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.922 12.027 -4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.665 12.862 -3.249 1.00 0.00 H new ATOM 393 N ALA A 24 8.625 8.269 -2.903 1.00 0.00 N ATOM 394 CA ALA A 24 9.267 6.979 -2.514 1.00 0.00 C ATOM 395 C ALA A 24 8.803 6.548 -1.113 1.00 0.00 C ATOM 396 O ALA A 24 8.832 5.376 -0.774 1.00 0.00 O ATOM 397 CB ALA A 24 10.784 7.155 -2.529 1.00 0.00 C ATOM 0 H ALA A 24 9.243 8.954 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 24 8.977 6.204 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.262 6.217 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.107 7.439 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.067 7.934 -1.821 1.00 0.00 H new ATOM 403 N SER A 25 8.372 7.474 -0.297 1.00 0.00 N ATOM 404 CA SER A 25 7.908 7.103 1.073 1.00 0.00 C ATOM 405 C SER A 25 6.381 6.946 1.085 1.00 0.00 C ATOM 406 O SER A 25 5.775 6.775 2.124 1.00 0.00 O ATOM 407 CB SER A 25 8.313 8.199 2.060 1.00 0.00 C ATOM 408 OG SER A 25 7.447 9.315 1.904 1.00 0.00 O ATOM 0 H SER A 25 8.321 8.468 -0.519 1.00 0.00 H new ATOM 0 HA SER A 25 8.367 6.158 1.363 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.259 7.822 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.346 8.499 1.885 1.00 0.00 H new ATOM 0 HG SER A 25 7.703 10.019 2.536 1.00 0.00 H new ATOM 414 N ASN A 26 5.757 7.006 -0.060 1.00 0.00 N ATOM 415 CA ASN A 26 4.273 6.861 -0.116 1.00 0.00 C ATOM 416 C ASN A 26 3.874 5.475 0.393 1.00 0.00 C ATOM 417 O ASN A 26 4.703 4.713 0.853 1.00 0.00 O ATOM 418 CB ASN A 26 3.795 7.032 -1.559 1.00 0.00 C ATOM 419 CG ASN A 26 2.888 8.262 -1.653 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.081 9.108 -2.503 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.901 8.396 -0.810 1.00 0.00 N ATOM 0 H ASN A 26 6.212 7.150 -0.962 1.00 0.00 H new ATOM 0 HA ASN A 26 3.812 7.624 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.650 7.145 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.254 6.142 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.291 9.212 -0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.740 7.685 -0.097 1.00 0.00 H new ATOM 428 N LYS A 27 2.611 5.144 0.325 1.00 0.00 N ATOM 429 CA LYS A 27 2.174 3.808 0.823 1.00 0.00 C ATOM 430 C LYS A 27 1.352 3.074 -0.244 1.00 0.00 C ATOM 431 O LYS A 27 0.519 3.647 -0.937 1.00 0.00 O ATOM 432 CB LYS A 27 1.327 3.980 2.087 1.00 0.00 C ATOM 433 CG LYS A 27 1.734 5.264 2.815 1.00 0.00 C ATOM 434 CD LYS A 27 0.817 6.409 2.382 1.00 0.00 C ATOM 435 CE LYS A 27 -0.237 6.656 3.463 1.00 0.00 C ATOM 436 NZ LYS A 27 -1.297 5.612 3.372 1.00 0.00 N ATOM 0 H LYS A 27 1.870 5.736 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 27 3.061 3.217 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.270 4.020 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.460 3.121 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.668 5.120 3.893 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.772 5.510 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.401 7.314 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.333 6.164 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.226 6.634 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.675 7.646 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.022 5.790 4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.734 5.642 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.875 4.674 3.528 1.00 0.00 H new ATOM 450 N LEU A 28 1.576 1.795 -0.369 1.00 0.00 N ATOM 451 CA LEU A 28 0.820 0.999 -1.368 1.00 0.00 C ATOM 452 C LEU A 28 -0.679 1.201 -1.134 1.00 0.00 C ATOM 453 O LEU A 28 -1.441 1.390 -2.060 1.00 0.00 O ATOM 454 CB LEU A 28 1.147 -0.480 -1.187 1.00 0.00 C ATOM 455 CG LEU A 28 1.455 -1.140 -2.528 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.518 -0.375 -3.304 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.937 -2.562 -2.263 1.00 0.00 C ATOM 0 H LEU A 28 2.254 1.268 0.182 1.00 0.00 H new ATOM 0 HA LEU A 28 1.092 1.320 -2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.002 -0.588 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.306 -0.987 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 28 0.549 -1.143 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.708 -0.877 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.169 0.640 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.439 -0.339 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.163 -3.052 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.835 -2.533 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.158 -3.119 -1.743 1.00 0.00 H new ATOM 469 N GLN A 29 -1.113 1.159 0.104 1.00 0.00 N ATOM 470 CA GLN A 29 -2.563 1.345 0.384 1.00 0.00 C ATOM 471 C GLN A 29 -3.036 2.612 -0.321 1.00 0.00 C ATOM 472 O GLN A 29 -4.082 2.631 -0.940 1.00 0.00 O ATOM 473 CB GLN A 29 -2.792 1.463 1.901 1.00 0.00 C ATOM 474 CG GLN A 29 -4.085 2.236 2.192 1.00 0.00 C ATOM 475 CD GLN A 29 -4.234 2.428 3.702 1.00 0.00 C ATOM 476 OE1 GLN A 29 -3.330 2.906 4.358 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.347 2.075 4.286 1.00 0.00 N ATOM 0 H GLN A 29 -0.526 1.005 0.924 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.127 0.488 0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.848 0.469 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.946 1.971 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.063 3.204 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.943 1.692 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.106 1.674 3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.457 2.201 5.292 1.00 0.00 H new ATOM 486 N ILE A 30 -2.279 3.673 -0.252 1.00 0.00 N ATOM 487 CA ILE A 30 -2.720 4.906 -0.946 1.00 0.00 C ATOM 488 C ILE A 30 -2.800 4.604 -2.432 1.00 0.00 C ATOM 489 O ILE A 30 -3.747 4.957 -3.099 1.00 0.00 O ATOM 490 CB ILE A 30 -1.731 6.051 -0.684 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.544 7.337 -0.506 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.744 6.208 -1.856 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.656 8.564 -0.731 1.00 0.00 C ATOM 0 H ILE A 30 -1.391 3.736 0.246 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.695 5.219 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.145 5.836 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.377 7.349 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.972 7.369 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.055 7.026 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.181 5.283 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.296 6.426 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.248 9.470 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.838 8.558 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.249 8.538 -1.742 1.00 0.00 H new ATOM 505 N VAL A 31 -1.818 3.930 -2.955 1.00 0.00 N ATOM 506 CA VAL A 31 -1.878 3.593 -4.404 1.00 0.00 C ATOM 507 C VAL A 31 -3.198 2.886 -4.653 1.00 0.00 C ATOM 508 O VAL A 31 -3.981 3.258 -5.506 1.00 0.00 O ATOM 509 CB VAL A 31 -0.735 2.654 -4.791 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.540 2.711 -6.305 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.547 3.094 -4.088 1.00 0.00 C ATOM 0 H VAL A 31 -0.991 3.603 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.791 4.503 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.974 1.634 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.273 2.045 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.458 2.398 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.296 3.731 -6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.362 2.424 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.796 4.112 -4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.400 3.060 -3.008 1.00 0.00 H new ATOM 521 N PHE A 32 -3.441 1.863 -3.896 1.00 0.00 N ATOM 522 CA PHE A 32 -4.704 1.091 -4.047 1.00 0.00 C ATOM 523 C PHE A 32 -5.917 2.019 -3.919 1.00 0.00 C ATOM 524 O PHE A 32 -6.875 1.904 -4.660 1.00 0.00 O ATOM 525 CB PHE A 32 -4.773 0.036 -2.945 1.00 0.00 C ATOM 526 CG PHE A 32 -3.525 -0.823 -2.967 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.584 -0.687 -4.000 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.307 -1.759 -1.947 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.440 -1.487 -4.009 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.160 -2.557 -1.960 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.231 -2.423 -2.988 1.00 0.00 C ATOM 0 H PHE A 32 -2.813 1.521 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.717 0.621 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.874 0.520 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.656 -0.588 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.745 0.035 -4.786 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.027 -1.864 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.716 -1.384 -4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.994 -3.278 -1.173 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.346 -3.043 -2.998 1.00 0.00 H new ATOM 541 N ASP A 33 -5.899 2.925 -2.979 1.00 0.00 N ATOM 542 CA ASP A 33 -7.070 3.835 -2.809 1.00 0.00 C ATOM 543 C ASP A 33 -7.172 4.786 -4.004 1.00 0.00 C ATOM 544 O ASP A 33 -8.232 4.985 -4.569 1.00 0.00 O ATOM 545 CB ASP A 33 -6.896 4.650 -1.526 1.00 0.00 C ATOM 546 CG ASP A 33 -8.048 4.345 -0.567 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.123 3.219 -0.101 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.835 5.242 -0.313 1.00 0.00 O ATOM 0 H ASP A 33 -5.130 3.075 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.981 3.239 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.943 4.408 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.875 5.715 -1.759 1.00 0.00 H new ATOM 553 N PHE A 34 -6.080 5.381 -4.386 1.00 0.00 N ATOM 554 CA PHE A 34 -6.108 6.328 -5.530 1.00 0.00 C ATOM 555 C PHE A 34 -6.713 5.640 -6.758 1.00 0.00 C ATOM 556 O PHE A 34 -7.600 6.166 -7.400 1.00 0.00 O ATOM 557 CB PHE A 34 -4.665 6.790 -5.819 1.00 0.00 C ATOM 558 CG PHE A 34 -4.220 6.344 -7.196 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.724 6.985 -8.334 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.316 5.286 -7.330 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.322 6.567 -9.606 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.913 4.866 -8.602 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.417 5.507 -9.742 1.00 0.00 C ATOM 0 H PHE A 34 -5.166 5.251 -3.953 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.724 7.194 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.605 7.876 -5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.991 6.383 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.423 7.802 -8.229 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.929 4.793 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.710 7.062 -10.484 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.214 4.049 -8.706 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.108 5.184 -10.725 1.00 0.00 H new ATOM 573 N VAL A 35 -6.228 4.477 -7.103 1.00 0.00 N ATOM 574 CA VAL A 35 -6.786 3.795 -8.309 1.00 0.00 C ATOM 575 C VAL A 35 -8.243 3.423 -8.055 1.00 0.00 C ATOM 576 O VAL A 35 -9.119 3.779 -8.817 1.00 0.00 O ATOM 577 CB VAL A 35 -5.996 2.515 -8.644 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.921 2.836 -9.683 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.334 1.949 -7.385 1.00 0.00 C ATOM 0 H VAL A 35 -5.485 3.977 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.709 4.483 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.686 1.772 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.362 1.931 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.393 3.219 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.241 3.588 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.780 1.045 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.650 2.689 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.100 1.709 -6.648 1.00 0.00 H new ATOM 589 N ALA A 36 -8.520 2.730 -6.985 1.00 0.00 N ATOM 590 CA ALA A 36 -9.933 2.353 -6.709 1.00 0.00 C ATOM 591 C ALA A 36 -10.793 3.614 -6.687 1.00 0.00 C ATOM 592 O ALA A 36 -11.993 3.562 -6.861 1.00 0.00 O ATOM 593 CB ALA A 36 -10.024 1.612 -5.375 1.00 0.00 C ATOM 0 H ALA A 36 -7.837 2.412 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.298 1.689 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.061 1.340 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.414 0.710 -5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.662 2.258 -4.575 1.00 0.00 H new ATOM 599 N SER A 37 -10.185 4.751 -6.501 1.00 0.00 N ATOM 600 CA SER A 37 -10.968 6.016 -6.500 1.00 0.00 C ATOM 601 C SER A 37 -11.212 6.446 -7.951 1.00 0.00 C ATOM 602 O SER A 37 -12.010 7.322 -8.225 1.00 0.00 O ATOM 603 CB SER A 37 -10.183 7.103 -5.767 1.00 0.00 C ATOM 604 OG SER A 37 -10.939 7.559 -4.652 1.00 0.00 O ATOM 0 H SER A 37 -9.182 4.859 -6.350 1.00 0.00 H new ATOM 0 HA SER A 37 -11.921 5.863 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.222 6.711 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.972 7.933 -6.442 1.00 0.00 H new ATOM 0 HG SER A 37 -10.437 8.255 -4.179 1.00 0.00 H new ATOM 610 N LYS A 38 -10.516 5.843 -8.883 1.00 0.00 N ATOM 611 CA LYS A 38 -10.687 6.217 -10.318 1.00 0.00 C ATOM 612 C LYS A 38 -11.891 5.480 -10.928 1.00 0.00 C ATOM 613 O LYS A 38 -12.987 6.003 -10.972 1.00 0.00 O ATOM 614 CB LYS A 38 -9.412 5.850 -11.088 1.00 0.00 C ATOM 615 CG LYS A 38 -8.719 7.130 -11.569 1.00 0.00 C ATOM 616 CD LYS A 38 -8.504 8.069 -10.381 1.00 0.00 C ATOM 617 CE LYS A 38 -8.984 9.475 -10.746 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.894 10.202 -11.453 1.00 0.00 N ATOM 0 H LYS A 38 -9.834 5.105 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.867 7.290 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.740 5.278 -10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.658 5.215 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.763 6.887 -12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.326 7.621 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.049 7.702 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.449 8.093 -10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.868 9.416 -11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.274 10.017 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.219 11.158 -11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.062 10.270 -10.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.638 9.687 -12.320 1.00 0.00 H new ATOM 632 N GLY A 39 -11.695 4.280 -11.409 1.00 0.00 N ATOM 633 CA GLY A 39 -12.828 3.523 -12.030 1.00 0.00 C ATOM 634 C GLY A 39 -13.118 2.255 -11.222 1.00 0.00 C ATOM 635 O GLY A 39 -14.140 1.616 -11.379 1.00 0.00 O ATOM 0 H GLY A 39 -10.801 3.790 -11.400 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.718 4.151 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.580 3.260 -13.058 1.00 0.00 H new ATOM 639 N PHE A 40 -12.212 1.894 -10.370 1.00 0.00 N ATOM 640 CA PHE A 40 -12.368 0.672 -9.531 1.00 0.00 C ATOM 641 C PHE A 40 -12.903 1.151 -8.154 1.00 0.00 C ATOM 642 O PHE A 40 -13.435 2.241 -8.104 1.00 0.00 O ATOM 643 CB PHE A 40 -10.990 -0.002 -9.478 1.00 0.00 C ATOM 644 CG PHE A 40 -10.207 0.445 -10.692 1.00 0.00 C ATOM 645 CD1 PHE A 40 -10.405 -0.168 -11.937 1.00 0.00 C ATOM 646 CD2 PHE A 40 -9.321 1.513 -10.577 1.00 0.00 C ATOM 647 CE1 PHE A 40 -9.703 0.289 -13.059 1.00 0.00 C ATOM 648 CE2 PHE A 40 -8.629 1.976 -11.695 1.00 0.00 C ATOM 649 CZ PHE A 40 -8.815 1.364 -12.936 1.00 0.00 C ATOM 0 H PHE A 40 -11.344 2.405 -10.212 1.00 0.00 H new ATOM 0 HA PHE A 40 -13.072 -0.066 -9.915 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.465 0.273 -8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -11.096 -1.087 -9.470 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.098 -0.991 -12.031 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.169 1.985 -9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.846 -0.187 -14.018 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.948 2.809 -11.601 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.274 1.720 -13.800 1.00 0.00 H new ATOM 659 N PRO A 41 -12.777 0.399 -7.067 1.00 0.00 N ATOM 660 CA PRO A 41 -12.157 -0.939 -6.983 1.00 0.00 C ATOM 661 C PRO A 41 -13.165 -2.054 -7.284 1.00 0.00 C ATOM 662 O PRO A 41 -12.817 -3.217 -7.295 1.00 0.00 O ATOM 663 CB PRO A 41 -11.764 -1.056 -5.509 1.00 0.00 C ATOM 664 CG PRO A 41 -12.683 -0.089 -4.732 1.00 0.00 C ATOM 665 CD PRO A 41 -13.260 0.896 -5.761 1.00 0.00 C ATOM 0 HA PRO A 41 -11.336 -1.041 -7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.889 -2.079 -5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.716 -0.795 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.481 -0.634 -4.229 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.124 0.441 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.349 0.916 -5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.916 1.913 -5.572 1.00 0.00 H new ATOM 673 N TRP A 42 -14.414 -1.737 -7.469 1.00 0.00 N ATOM 674 CA TRP A 42 -15.398 -2.828 -7.698 1.00 0.00 C ATOM 675 C TRP A 42 -15.223 -3.830 -6.543 1.00 0.00 C ATOM 676 O TRP A 42 -14.526 -4.819 -6.651 1.00 0.00 O ATOM 677 CB TRP A 42 -15.136 -3.478 -9.079 1.00 0.00 C ATOM 678 CG TRP A 42 -15.244 -4.975 -9.014 1.00 0.00 C ATOM 679 CD1 TRP A 42 -14.301 -5.839 -9.458 1.00 0.00 C ATOM 680 CD2 TRP A 42 -16.322 -5.792 -8.472 1.00 0.00 C ATOM 681 NE1 TRP A 42 -14.732 -7.133 -9.223 1.00 0.00 N ATOM 682 CE2 TRP A 42 -15.972 -7.156 -8.619 1.00 0.00 C ATOM 683 CE3 TRP A 42 -17.559 -5.486 -7.875 1.00 0.00 C ATOM 684 CZ2 TRP A 42 -16.816 -8.179 -8.188 1.00 0.00 C ATOM 685 CZ3 TRP A 42 -18.411 -6.514 -7.440 1.00 0.00 C ATOM 686 CH2 TRP A 42 -18.041 -7.857 -7.597 1.00 0.00 C ATOM 0 H TRP A 42 -14.791 -0.789 -7.472 1.00 0.00 H new ATOM 0 HA TRP A 42 -16.425 -2.462 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -15.851 -3.092 -9.805 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -14.143 -3.199 -9.431 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.365 -5.563 -9.920 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.198 -7.967 -9.467 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -17.855 -4.455 -7.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -16.525 -9.212 -8.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -19.357 -6.268 -6.982 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -18.702 -8.642 -7.261 1.00 0.00 H new ATOM 697 N ASP A 43 -15.824 -3.555 -5.418 1.00 0.00 N ATOM 698 CA ASP A 43 -15.670 -4.468 -4.251 1.00 0.00 C ATOM 699 C ASP A 43 -14.219 -4.420 -3.757 1.00 0.00 C ATOM 700 O ASP A 43 -13.942 -3.994 -2.653 1.00 0.00 O ATOM 701 CB ASP A 43 -16.019 -5.898 -4.671 1.00 0.00 C ATOM 702 CG ASP A 43 -16.778 -6.592 -3.538 1.00 0.00 C ATOM 703 OD1 ASP A 43 -16.370 -6.438 -2.399 1.00 0.00 O ATOM 704 OD2 ASP A 43 -17.753 -7.264 -3.829 1.00 0.00 O ATOM 0 H ASP A 43 -16.414 -2.739 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.339 -4.152 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.627 -5.884 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.110 -6.451 -4.906 1.00 0.00 H new ATOM 709 N GLU A 44 -13.292 -4.855 -4.569 1.00 0.00 N ATOM 710 CA GLU A 44 -11.864 -4.843 -4.160 1.00 0.00 C ATOM 711 C GLU A 44 -11.000 -5.183 -5.380 1.00 0.00 C ATOM 712 O GLU A 44 -11.439 -5.861 -6.287 1.00 0.00 O ATOM 713 CB GLU A 44 -11.669 -5.874 -3.044 1.00 0.00 C ATOM 714 CG GLU A 44 -11.365 -7.258 -3.629 1.00 0.00 C ATOM 715 CD GLU A 44 -11.334 -8.292 -2.502 1.00 0.00 C ATOM 716 OE1 GLU A 44 -10.885 -7.946 -1.421 1.00 0.00 O ATOM 717 OE2 GLU A 44 -11.758 -9.412 -2.738 1.00 0.00 O ATOM 0 H GLU A 44 -13.468 -5.220 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.570 -3.862 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.852 -5.562 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.567 -5.924 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.123 -7.528 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.407 -7.242 -4.149 1.00 0.00 H new ATOM 724 N TYR A 45 -9.790 -4.702 -5.427 1.00 0.00 N ATOM 725 CA TYR A 45 -8.936 -4.989 -6.613 1.00 0.00 C ATOM 726 C TYR A 45 -7.469 -5.154 -6.211 1.00 0.00 C ATOM 727 O TYR A 45 -7.026 -4.671 -5.187 1.00 0.00 O ATOM 728 CB TYR A 45 -9.029 -3.811 -7.573 1.00 0.00 C ATOM 729 CG TYR A 45 -9.906 -4.146 -8.753 1.00 0.00 C ATOM 730 CD1 TYR A 45 -9.622 -5.243 -9.565 1.00 0.00 C ATOM 731 CD2 TYR A 45 -10.978 -3.319 -9.055 1.00 0.00 C ATOM 732 CE1 TYR A 45 -10.415 -5.507 -10.687 1.00 0.00 C ATOM 733 CE2 TYR A 45 -11.784 -3.580 -10.168 1.00 0.00 C ATOM 734 CZ TYR A 45 -11.499 -4.674 -10.989 1.00 0.00 C ATOM 735 OH TYR A 45 -12.283 -4.932 -12.095 1.00 0.00 O ATOM 0 H TYR A 45 -9.358 -4.128 -4.703 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.285 -5.913 -7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.431 -2.942 -7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.032 -3.541 -7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.790 -5.889 -9.328 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.192 -2.467 -8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.191 -6.353 -11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.623 -2.938 -10.392 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.992 -4.258 -12.158 1.00 0.00 H new ATOM 745 N LYS A 46 -6.710 -5.805 -7.047 1.00 0.00 N ATOM 746 CA LYS A 46 -5.255 -5.988 -6.784 1.00 0.00 C ATOM 747 C LYS A 46 -4.503 -5.576 -8.047 1.00 0.00 C ATOM 748 O LYS A 46 -4.859 -5.961 -9.144 1.00 0.00 O ATOM 749 CB LYS A 46 -4.955 -7.458 -6.472 1.00 0.00 C ATOM 750 CG LYS A 46 -6.204 -8.141 -5.909 1.00 0.00 C ATOM 751 CD LYS A 46 -6.559 -7.524 -4.557 1.00 0.00 C ATOM 752 CE LYS A 46 -8.079 -7.418 -4.432 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.422 -6.455 -3.348 1.00 0.00 N ATOM 0 H LYS A 46 -7.042 -6.225 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.948 -5.384 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.627 -7.970 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.138 -7.526 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.037 -8.027 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.027 -9.211 -5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.158 -8.136 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.106 -6.537 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.510 -7.087 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.506 -8.397 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.794 -6.974 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.569 -5.930 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.142 -5.788 -3.691 1.00 0.00 H new ATOM 767 N LEU A 47 -3.476 -4.792 -7.913 1.00 0.00 N ATOM 768 CA LEU A 47 -2.719 -4.356 -9.114 1.00 0.00 C ATOM 769 C LEU A 47 -1.557 -5.320 -9.347 1.00 0.00 C ATOM 770 O LEU A 47 -1.039 -5.907 -8.425 1.00 0.00 O ATOM 771 CB LEU A 47 -2.188 -2.945 -8.878 1.00 0.00 C ATOM 772 CG LEU A 47 -3.363 -2.007 -8.602 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.954 -0.973 -7.556 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.757 -1.303 -9.899 1.00 0.00 C ATOM 0 H LEU A 47 -3.127 -4.434 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.367 -4.356 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.497 -2.940 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.630 -2.603 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.212 -2.579 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.792 -0.304 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.670 -1.481 -6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.108 -0.395 -7.927 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.595 -0.632 -9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.910 -0.728 -10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.048 -2.045 -10.642 1.00 0.00 H new ATOM 786 N LEU A 48 -1.160 -5.506 -10.575 1.00 0.00 N ATOM 787 CA LEU A 48 -0.045 -6.447 -10.870 1.00 0.00 C ATOM 788 C LEU A 48 1.182 -5.653 -11.319 1.00 0.00 C ATOM 789 O LEU A 48 1.132 -4.913 -12.281 1.00 0.00 O ATOM 790 CB LEU A 48 -0.488 -7.406 -11.985 1.00 0.00 C ATOM 791 CG LEU A 48 0.717 -8.145 -12.583 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.409 -7.249 -13.612 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.710 -8.515 -11.478 1.00 0.00 C ATOM 0 H LEU A 48 -1.562 -5.044 -11.391 1.00 0.00 H new ATOM 0 HA LEU A 48 0.210 -7.019 -9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.201 -8.128 -11.587 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.002 -6.848 -12.767 1.00 0.00 H new ATOM 0 HG LEU A 48 0.368 -9.057 -13.068 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.264 -7.775 -14.036 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.707 -6.999 -14.407 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.750 -6.334 -13.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.561 -9.039 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.057 -7.608 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.220 -9.162 -10.750 1.00 0.00 H new ATOM 805 N SER A 49 2.289 -5.797 -10.637 1.00 0.00 N ATOM 806 CA SER A 49 3.504 -5.039 -11.047 1.00 0.00 C ATOM 807 C SER A 49 4.094 -5.709 -12.286 1.00 0.00 C ATOM 808 O SER A 49 4.416 -6.885 -12.275 1.00 0.00 O ATOM 809 CB SER A 49 4.541 -5.045 -9.923 1.00 0.00 C ATOM 810 OG SER A 49 4.355 -6.199 -9.112 1.00 0.00 O ATOM 0 H SER A 49 2.402 -6.401 -9.823 1.00 0.00 H new ATOM 0 HA SER A 49 3.234 -4.005 -11.263 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.547 -5.040 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.443 -4.143 -9.319 1.00 0.00 H new ATOM 0 HG SER A 49 4.060 -6.948 -9.671 1.00 0.00 H new ATOM 816 N THR A 50 4.218 -4.973 -13.359 1.00 0.00 N ATOM 817 CA THR A 50 4.757 -5.559 -14.617 1.00 0.00 C ATOM 818 C THR A 50 6.283 -5.650 -14.561 1.00 0.00 C ATOM 819 O THR A 50 6.858 -6.651 -14.937 1.00 0.00 O ATOM 820 CB THR A 50 4.343 -4.679 -15.800 1.00 0.00 C ATOM 821 OG1 THR A 50 5.113 -3.485 -15.792 1.00 0.00 O ATOM 822 CG2 THR A 50 2.857 -4.332 -15.682 1.00 0.00 C ATOM 0 H THR A 50 3.967 -3.986 -13.416 1.00 0.00 H new ATOM 0 HA THR A 50 4.353 -6.564 -14.738 1.00 0.00 H new ATOM 0 HB THR A 50 4.516 -5.216 -16.733 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.672 -2.815 -15.229 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.562 -3.706 -16.524 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.268 -5.249 -15.688 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.682 -3.794 -14.750 1.00 0.00 H new ATOM 830 N PHE A 51 6.949 -4.621 -14.107 1.00 0.00 N ATOM 831 CA PHE A 51 8.438 -4.684 -14.055 1.00 0.00 C ATOM 832 C PHE A 51 8.860 -6.039 -13.471 1.00 0.00 C ATOM 833 O PHE A 51 9.485 -6.825 -14.154 1.00 0.00 O ATOM 834 CB PHE A 51 8.989 -3.535 -13.207 1.00 0.00 C ATOM 835 CG PHE A 51 9.655 -2.523 -14.108 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.889 -1.778 -15.013 1.00 0.00 C ATOM 837 CD2 PHE A 51 11.040 -2.327 -14.037 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.507 -0.840 -15.848 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.658 -1.387 -14.872 1.00 0.00 C ATOM 840 CZ PHE A 51 10.891 -0.644 -15.778 1.00 0.00 C ATOM 0 H PHE A 51 6.533 -3.751 -13.774 1.00 0.00 H new ATOM 0 HA PHE A 51 8.845 -4.583 -15.061 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.183 -3.063 -12.645 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.704 -3.916 -12.478 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.821 -1.927 -15.067 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.631 -2.900 -13.339 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.915 -0.267 -16.547 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.726 -1.235 -14.817 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.367 0.080 -16.422 1.00 0.00 H new ATOM 850 N PRO A 52 8.489 -6.294 -12.238 1.00 0.00 N ATOM 851 CA PRO A 52 8.806 -7.571 -11.579 1.00 0.00 C ATOM 852 C PRO A 52 7.790 -8.630 -12.018 1.00 0.00 C ATOM 853 O PRO A 52 8.007 -9.817 -11.871 1.00 0.00 O ATOM 854 CB PRO A 52 8.637 -7.265 -10.092 1.00 0.00 C ATOM 855 CG PRO A 52 7.686 -6.049 -10.007 1.00 0.00 C ATOM 856 CD PRO A 52 7.736 -5.351 -11.381 1.00 0.00 C ATOM 0 HA PRO A 52 9.800 -7.949 -11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.221 -8.122 -9.563 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.598 -7.041 -9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.671 -6.368 -9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.998 -5.368 -9.215 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.735 -5.169 -11.772 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.235 -4.384 -11.319 1.00 0.00 H new ATOM 864 N ARG A 53 6.673 -8.199 -12.542 1.00 0.00 N ATOM 865 CA ARG A 53 5.626 -9.164 -12.978 1.00 0.00 C ATOM 866 C ARG A 53 5.114 -9.921 -11.753 1.00 0.00 C ATOM 867 O ARG A 53 5.010 -11.131 -11.756 1.00 0.00 O ATOM 868 CB ARG A 53 6.220 -10.153 -13.983 1.00 0.00 C ATOM 869 CG ARG A 53 5.117 -10.652 -14.919 1.00 0.00 C ATOM 870 CD ARG A 53 5.708 -11.627 -15.938 1.00 0.00 C ATOM 871 NE ARG A 53 4.659 -12.595 -16.366 1.00 0.00 N ATOM 872 CZ ARG A 53 4.983 -13.827 -16.648 1.00 0.00 C ATOM 873 NH1 ARG A 53 5.842 -14.465 -15.900 1.00 0.00 N ATOM 874 NH2 ARG A 53 4.448 -14.423 -17.678 1.00 0.00 N ATOM 0 H ARG A 53 6.442 -7.216 -12.687 1.00 0.00 H new ATOM 0 HA ARG A 53 4.805 -8.628 -13.453 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.011 -9.672 -14.559 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.674 -10.993 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.333 -11.144 -14.343 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.654 -9.810 -15.433 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.088 -11.081 -16.801 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.552 -12.159 -15.500 1.00 0.00 H new ATOM 0 HE ARG A 53 3.687 -12.294 -16.439 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.261 -14.000 -15.094 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.095 -15.428 -16.121 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.776 -13.926 -18.263 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.701 -15.386 -17.898 1.00 0.00 H new ATOM 888 N ARG A 54 4.807 -9.216 -10.697 1.00 0.00 N ATOM 889 CA ARG A 54 4.318 -9.900 -9.464 1.00 0.00 C ATOM 890 C ARG A 54 3.116 -9.151 -8.881 1.00 0.00 C ATOM 891 O ARG A 54 2.844 -8.021 -9.231 1.00 0.00 O ATOM 892 CB ARG A 54 5.446 -9.942 -8.433 1.00 0.00 C ATOM 893 CG ARG A 54 5.672 -8.542 -7.861 1.00 0.00 C ATOM 894 CD ARG A 54 6.848 -8.574 -6.881 1.00 0.00 C ATOM 895 NE ARG A 54 8.072 -9.048 -7.588 1.00 0.00 N ATOM 896 CZ ARG A 54 9.252 -8.775 -7.104 1.00 0.00 C ATOM 897 NH1 ARG A 54 9.394 -8.524 -5.832 1.00 0.00 N ATOM 898 NH2 ARG A 54 10.291 -8.755 -7.892 1.00 0.00 N ATOM 0 H ARG A 54 4.873 -8.200 -10.634 1.00 0.00 H new ATOM 0 HA ARG A 54 4.009 -10.914 -9.716 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.194 -10.637 -7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.362 -10.309 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.876 -7.837 -8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.772 -8.195 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.017 -7.580 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.620 -9.234 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 54 7.987 -9.586 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.582 -8.541 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.317 -8.311 -5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.181 -8.953 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.214 -8.542 -7.514 1.00 0.00 H new ATOM 912 N ASP A 55 2.397 -9.779 -7.987 1.00 0.00 N ATOM 913 CA ASP A 55 1.210 -9.115 -7.373 1.00 0.00 C ATOM 914 C ASP A 55 1.620 -7.761 -6.789 1.00 0.00 C ATOM 915 O ASP A 55 2.295 -7.698 -5.784 1.00 0.00 O ATOM 916 CB ASP A 55 0.652 -10.002 -6.259 1.00 0.00 C ATOM 917 CG ASP A 55 -0.817 -10.318 -6.546 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.125 -10.627 -7.685 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.609 -10.245 -5.621 1.00 0.00 O ATOM 0 H ASP A 55 2.582 -10.726 -7.655 1.00 0.00 H new ATOM 0 HA ASP A 55 0.447 -8.962 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.227 -10.925 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.745 -9.498 -5.297 1.00 0.00 H new ATOM 924 N VAL A 56 1.201 -6.693 -7.425 1.00 0.00 N ATOM 925 CA VAL A 56 1.524 -5.300 -6.967 1.00 0.00 C ATOM 926 C VAL A 56 2.829 -5.262 -6.173 1.00 0.00 C ATOM 927 O VAL A 56 2.904 -5.679 -5.046 1.00 0.00 O ATOM 928 CB VAL A 56 0.356 -4.734 -6.146 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.456 -5.179 -4.692 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.380 -3.205 -6.217 1.00 0.00 C ATOM 0 H VAL A 56 0.630 -6.729 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 56 1.667 -4.673 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.579 -5.110 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.381 -4.768 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.427 -6.267 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.393 -4.821 -4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.448 -2.801 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.322 -2.837 -5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.283 -2.887 -7.255 1.00 0.00 H new ATOM 940 N THR A 57 3.848 -4.742 -6.795 1.00 0.00 N ATOM 941 CA THR A 57 5.209 -4.623 -6.177 1.00 0.00 C ATOM 942 C THR A 57 5.282 -5.162 -4.734 1.00 0.00 C ATOM 943 O THR A 57 5.259 -4.417 -3.782 1.00 0.00 O ATOM 944 CB THR A 57 5.639 -3.153 -6.194 1.00 0.00 C ATOM 945 OG1 THR A 57 6.467 -2.891 -5.073 1.00 0.00 O ATOM 946 CG2 THR A 57 4.403 -2.245 -6.149 1.00 0.00 C ATOM 0 H THR A 57 3.796 -4.378 -7.746 1.00 0.00 H new ATOM 0 HA THR A 57 5.882 -5.240 -6.772 1.00 0.00 H new ATOM 0 HB THR A 57 6.193 -2.951 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.407 -3.005 -5.327 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.718 -1.201 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.773 -2.445 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.839 -2.443 -5.238 1.00 0.00 H new ATOM 954 N GLN A 58 5.425 -6.453 -4.581 1.00 0.00 N ATOM 955 CA GLN A 58 5.576 -7.058 -3.210 1.00 0.00 C ATOM 956 C GLN A 58 4.251 -7.135 -2.438 1.00 0.00 C ATOM 957 O GLN A 58 4.165 -7.809 -1.432 1.00 0.00 O ATOM 958 CB GLN A 58 6.571 -6.225 -2.398 1.00 0.00 C ATOM 959 CG GLN A 58 7.803 -5.919 -3.250 1.00 0.00 C ATOM 960 CD GLN A 58 8.957 -6.827 -2.823 1.00 0.00 C ATOM 961 OE1 GLN A 58 9.343 -7.721 -3.549 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.527 -6.637 -1.665 1.00 0.00 N ATOM 0 H GLN A 58 5.445 -7.124 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 58 5.933 -8.078 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.102 -5.296 -2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.864 -6.766 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.576 -6.073 -4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.087 -4.873 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.204 -5.887 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.296 -7.239 -1.370 1.00 0.00 H new ATOM 971 N LEU A 59 3.230 -6.459 -2.874 1.00 0.00 N ATOM 972 CA LEU A 59 1.934 -6.516 -2.137 1.00 0.00 C ATOM 973 C LEU A 59 2.070 -5.805 -0.791 1.00 0.00 C ATOM 974 O LEU A 59 3.011 -5.074 -0.557 1.00 0.00 O ATOM 975 CB LEU A 59 1.524 -7.975 -1.919 1.00 0.00 C ATOM 976 CG LEU A 59 0.445 -8.349 -2.935 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.176 -9.854 -2.867 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.842 -7.585 -2.617 1.00 0.00 C ATOM 0 H LEU A 59 3.233 -5.870 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 59 1.166 -6.015 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.389 -8.629 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.149 -8.113 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 59 0.785 -8.087 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.594 -10.119 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.092 -10.398 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.163 -10.118 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.612 -7.851 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.181 -7.845 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.651 -6.513 -2.668 1.00 0.00 H new ATOM 990 N ASP A 60 1.124 -6.000 0.089 1.00 0.00 N ATOM 991 CA ASP A 60 1.181 -5.324 1.415 1.00 0.00 C ATOM 992 C ASP A 60 0.725 -3.870 1.251 1.00 0.00 C ATOM 993 O ASP A 60 1.531 -2.990 1.014 1.00 0.00 O ATOM 994 CB ASP A 60 2.615 -5.357 1.952 1.00 0.00 C ATOM 995 CG ASP A 60 3.247 -6.716 1.642 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.509 -7.685 1.564 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.455 -6.763 1.487 1.00 0.00 O ATOM 0 H ASP A 60 0.312 -6.601 -0.055 1.00 0.00 H new ATOM 0 HA ASP A 60 0.527 -5.839 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.203 -4.559 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.616 -5.181 3.028 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.559 -3.663 1.386 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.163 -2.327 1.250 1.00 0.00 C ATOM 1004 C PRO A 61 -0.771 -1.449 2.431 1.00 0.00 C ATOM 1005 O PRO A 61 -0.954 -0.248 2.421 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.670 -2.608 1.226 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.861 -3.993 1.882 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.523 -4.735 1.718 1.00 0.00 C ATOM 0 HA PRO A 61 -0.834 -1.790 0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.218 -1.840 1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.050 -2.605 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.123 -3.892 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.672 -4.542 1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.241 -5.257 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.576 -5.484 0.927 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.208 -2.043 3.435 1.00 0.00 N ATOM 1017 CA ASN A 62 0.222 -1.258 4.623 1.00 0.00 C ATOM 1018 C ASN A 62 1.723 -0.997 4.527 1.00 0.00 C ATOM 1019 O ASN A 62 2.332 -0.465 5.434 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.082 -2.045 5.899 1.00 0.00 C ATOM 1021 CG ASN A 62 -0.449 -1.072 7.022 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -1.583 -1.024 7.454 1.00 0.00 O ATOM 1023 ND2 ASN A 62 0.471 -0.287 7.514 1.00 0.00 N ATOM 0 H ASN A 62 -0.024 -3.045 3.488 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.317 -0.311 4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.902 -2.741 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.784 -2.640 6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.237 0.367 8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.423 -0.327 7.151 1.00 0.00 H new ATOM 1030 N LYS A 63 2.325 -1.372 3.433 1.00 0.00 N ATOM 1031 CA LYS A 63 3.785 -1.150 3.274 1.00 0.00 C ATOM 1032 C LYS A 63 4.025 0.179 2.557 1.00 0.00 C ATOM 1033 O LYS A 63 3.165 0.693 1.869 1.00 0.00 O ATOM 1034 CB LYS A 63 4.390 -2.290 2.452 1.00 0.00 C ATOM 1035 CG LYS A 63 4.898 -3.383 3.393 1.00 0.00 C ATOM 1036 CD LYS A 63 6.148 -4.032 2.796 1.00 0.00 C ATOM 1037 CE LYS A 63 6.358 -5.410 3.426 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.798 -5.587 3.768 1.00 0.00 N ATOM 0 H LYS A 63 1.866 -1.823 2.642 1.00 0.00 H new ATOM 0 HA LYS A 63 4.256 -1.122 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.642 -2.699 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.208 -1.915 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.128 -2.958 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.123 -4.134 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.041 -4.127 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.019 -3.402 2.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.746 -5.509 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.039 -6.190 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.940 -6.524 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.372 -5.510 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.088 -4.850 4.443 1.00 0.00 H new ATOM 1052 N SER A 64 5.197 0.725 2.700 1.00 0.00 N ATOM 1053 CA SER A 64 5.515 2.007 2.019 1.00 0.00 C ATOM 1054 C SER A 64 6.093 1.653 0.655 1.00 0.00 C ATOM 1055 O SER A 64 6.271 0.493 0.350 1.00 0.00 O ATOM 1056 CB SER A 64 6.535 2.799 2.838 1.00 0.00 C ATOM 1057 OG SER A 64 7.848 2.371 2.500 1.00 0.00 O ATOM 0 H SER A 64 5.953 0.336 3.263 1.00 0.00 H new ATOM 0 HA SER A 64 4.623 2.625 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.426 3.866 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.356 2.652 3.903 1.00 0.00 H new ATOM 0 HG SER A 64 8.503 2.879 3.023 1.00 0.00 H new ATOM 1063 N LEU A 65 6.347 2.607 -0.192 1.00 0.00 N ATOM 1064 CA LEU A 65 6.858 2.242 -1.536 1.00 0.00 C ATOM 1065 C LEU A 65 8.296 1.746 -1.440 1.00 0.00 C ATOM 1066 O LEU A 65 8.623 0.701 -1.957 1.00 0.00 O ATOM 1067 CB LEU A 65 6.765 3.450 -2.457 1.00 0.00 C ATOM 1068 CG LEU A 65 5.316 3.581 -2.918 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.172 4.796 -3.818 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.908 2.327 -3.695 1.00 0.00 C ATOM 0 H LEU A 65 6.226 3.604 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 65 6.251 1.435 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.082 4.353 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.428 3.328 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 65 4.673 3.696 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.136 4.886 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.458 5.692 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.819 4.683 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.873 2.423 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.555 2.211 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.005 1.453 -3.051 1.00 0.00 H new ATOM 1082 N LEU A 66 9.158 2.460 -0.783 1.00 0.00 N ATOM 1083 CA LEU A 66 10.564 1.978 -0.675 1.00 0.00 C ATOM 1084 C LEU A 66 10.577 0.520 -0.209 1.00 0.00 C ATOM 1085 O LEU A 66 11.288 -0.303 -0.751 1.00 0.00 O ATOM 1086 CB LEU A 66 11.326 2.850 0.329 1.00 0.00 C ATOM 1087 CG LEU A 66 12.134 3.943 -0.395 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.512 4.274 -1.760 1.00 0.00 C ATOM 1089 CD2 LEU A 66 12.138 5.207 0.466 1.00 0.00 C ATOM 0 H LEU A 66 8.958 3.346 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 66 11.046 2.044 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.623 3.311 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.997 2.228 0.921 1.00 0.00 H new ATOM 0 HG LEU A 66 13.149 3.579 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.102 5.049 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.501 3.379 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.492 4.630 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.708 5.988 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.114 5.546 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.596 4.989 1.431 1.00 0.00 H new ATOM 1101 N GLU A 67 9.795 0.183 0.777 1.00 0.00 N ATOM 1102 CA GLU A 67 9.788 -1.237 1.247 1.00 0.00 C ATOM 1103 C GLU A 67 9.351 -2.128 0.090 1.00 0.00 C ATOM 1104 O GLU A 67 9.833 -3.232 -0.072 1.00 0.00 O ATOM 1105 CB GLU A 67 8.817 -1.443 2.421 1.00 0.00 C ATOM 1106 CG GLU A 67 8.356 -0.104 2.989 1.00 0.00 C ATOM 1107 CD GLU A 67 7.799 -0.311 4.399 1.00 0.00 C ATOM 1108 OE1 GLU A 67 6.663 -0.742 4.509 1.00 0.00 O ATOM 1109 OE2 GLU A 67 8.519 -0.035 5.345 1.00 0.00 O ATOM 0 H GLU A 67 9.168 0.815 1.274 1.00 0.00 H new ATOM 0 HA GLU A 67 10.792 -1.491 1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.953 -2.017 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.304 -2.026 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.189 0.598 3.015 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.592 0.332 2.345 1.00 0.00 H new ATOM 1116 N VAL A 68 8.450 -1.655 -0.726 1.00 0.00 N ATOM 1117 CA VAL A 68 8.004 -2.489 -1.880 1.00 0.00 C ATOM 1118 C VAL A 68 8.819 -2.123 -3.126 1.00 0.00 C ATOM 1119 O VAL A 68 8.682 -2.730 -4.167 1.00 0.00 O ATOM 1120 CB VAL A 68 6.507 -2.306 -2.147 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.707 -2.897 -0.985 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.154 -0.832 -2.298 1.00 0.00 C ATOM 0 H VAL A 68 8.007 -0.739 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 68 8.172 -3.538 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 68 6.259 -2.820 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.641 -2.767 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.932 -3.959 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.976 -2.386 -0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.085 -0.731 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.412 -0.300 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.711 -0.408 -3.133 1.00 0.00 H new ATOM 1132 N LYS A 69 9.687 -1.153 -3.014 1.00 0.00 N ATOM 1133 CA LYS A 69 10.544 -0.768 -4.172 1.00 0.00 C ATOM 1134 C LYS A 69 9.698 -0.462 -5.405 1.00 0.00 C ATOM 1135 O LYS A 69 9.732 -1.184 -6.381 1.00 0.00 O ATOM 1136 CB LYS A 69 11.498 -1.916 -4.516 1.00 0.00 C ATOM 1137 CG LYS A 69 12.004 -2.591 -3.230 1.00 0.00 C ATOM 1138 CD LYS A 69 11.234 -3.894 -2.933 1.00 0.00 C ATOM 1139 CE LYS A 69 10.905 -4.651 -4.227 1.00 0.00 C ATOM 1140 NZ LYS A 69 12.090 -4.631 -5.132 1.00 0.00 N ATOM 0 H LYS A 69 9.840 -0.608 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 69 11.103 0.124 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.987 -2.647 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.342 -1.537 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.067 -2.810 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.896 -1.904 -2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.829 -4.530 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.312 -3.661 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.627 -5.680 -3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.049 -4.192 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.251 -5.585 -5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.918 -3.969 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.929 -4.325 -4.599 1.00 0.00 H new ATOM 1154 N LEU A 70 8.961 0.610 -5.391 1.00 0.00 N ATOM 1155 CA LEU A 70 8.149 0.952 -6.591 1.00 0.00 C ATOM 1156 C LEU A 70 9.066 1.369 -7.744 1.00 0.00 C ATOM 1157 O LEU A 70 8.608 1.647 -8.834 1.00 0.00 O ATOM 1158 CB LEU A 70 7.199 2.110 -6.276 1.00 0.00 C ATOM 1159 CG LEU A 70 5.748 1.701 -6.553 1.00 0.00 C ATOM 1160 CD1 LEU A 70 4.892 2.961 -6.678 1.00 0.00 C ATOM 1161 CD2 LEU A 70 5.665 0.909 -7.865 1.00 0.00 C ATOM 0 H LEU A 70 8.885 1.260 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 70 7.572 0.072 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.308 2.404 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.461 2.978 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 70 5.388 1.078 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.857 2.680 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.943 3.529 -5.749 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.264 3.574 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.630 0.623 -8.053 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.025 1.528 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.281 0.013 -7.789 1.00 0.00 H new ATOM 1173 N PHE A 71 10.351 1.426 -7.522 1.00 0.00 N ATOM 1174 CA PHE A 71 11.262 1.836 -8.624 1.00 0.00 C ATOM 1175 C PHE A 71 10.854 3.238 -9.089 1.00 0.00 C ATOM 1176 O PHE A 71 9.942 3.822 -8.539 1.00 0.00 O ATOM 1177 CB PHE A 71 11.121 0.835 -9.771 1.00 0.00 C ATOM 1178 CG PHE A 71 12.459 0.194 -10.057 1.00 0.00 C ATOM 1179 CD1 PHE A 71 13.319 -0.132 -9.002 1.00 0.00 C ATOM 1180 CD2 PHE A 71 12.837 -0.079 -11.379 1.00 0.00 C ATOM 1181 CE1 PHE A 71 14.557 -0.729 -9.268 1.00 0.00 C ATOM 1182 CE2 PHE A 71 14.076 -0.675 -11.643 1.00 0.00 C ATOM 1183 CZ PHE A 71 14.935 -1.002 -10.588 1.00 0.00 C ATOM 0 H PHE A 71 10.804 1.209 -6.634 1.00 0.00 H new ATOM 0 HA PHE A 71 12.299 1.853 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.389 0.070 -9.511 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.751 1.340 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 71 13.028 0.077 -7.983 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.173 0.170 -12.193 1.00 0.00 H new ATOM 0 HE1 PHE A 71 15.221 -0.979 -8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 71 14.369 -0.882 -12.662 1.00 0.00 H new ATOM 0 HZ PHE A 71 15.889 -1.465 -10.792 1.00 0.00 H new ATOM 1193 N PRO A 72 11.532 3.742 -10.087 1.00 0.00 N ATOM 1194 CA PRO A 72 11.241 5.076 -10.631 1.00 0.00 C ATOM 1195 C PRO A 72 9.999 5.017 -11.523 1.00 0.00 C ATOM 1196 O PRO A 72 8.913 5.353 -11.105 1.00 0.00 O ATOM 1197 CB PRO A 72 12.496 5.418 -11.440 1.00 0.00 C ATOM 1198 CG PRO A 72 13.181 4.072 -11.773 1.00 0.00 C ATOM 1199 CD PRO A 72 12.639 3.039 -10.765 1.00 0.00 C ATOM 0 HA PRO A 72 11.029 5.823 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.236 5.957 -12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.163 6.062 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.960 3.768 -12.796 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.265 4.159 -11.694 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.290 2.137 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.409 2.731 -10.057 1.00 0.00 H new ATOM 1207 N GLN A 73 10.147 4.580 -12.740 1.00 0.00 N ATOM 1208 CA GLN A 73 8.968 4.491 -13.649 1.00 0.00 C ATOM 1209 C GLN A 73 8.491 3.038 -13.713 1.00 0.00 C ATOM 1210 O GLN A 73 9.209 2.161 -14.150 1.00 0.00 O ATOM 1211 CB GLN A 73 9.366 4.962 -15.050 1.00 0.00 C ATOM 1212 CG GLN A 73 9.906 6.391 -14.973 1.00 0.00 C ATOM 1213 CD GLN A 73 10.398 6.827 -16.355 1.00 0.00 C ATOM 1214 OE1 GLN A 73 11.284 6.216 -16.918 1.00 0.00 O ATOM 1215 NE2 GLN A 73 9.856 7.867 -16.928 1.00 0.00 N ATOM 0 H GLN A 73 11.033 4.280 -13.147 1.00 0.00 H new ATOM 0 HA GLN A 73 8.165 5.124 -13.271 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.123 4.298 -15.467 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.505 4.923 -15.717 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.126 7.067 -14.623 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.721 6.444 -14.252 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.112 8.380 -16.455 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.176 8.167 -17.849 1.00 0.00 H new ATOM 1224 N GLU A 74 7.291 2.770 -13.270 1.00 0.00 N ATOM 1225 CA GLU A 74 6.792 1.362 -13.301 1.00 0.00 C ATOM 1226 C GLU A 74 5.331 1.326 -13.764 1.00 0.00 C ATOM 1227 O GLU A 74 4.570 2.241 -13.529 1.00 0.00 O ATOM 1228 CB GLU A 74 6.905 0.752 -11.901 1.00 0.00 C ATOM 1229 CG GLU A 74 8.378 0.518 -11.563 1.00 0.00 C ATOM 1230 CD GLU A 74 8.536 -0.836 -10.870 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.624 -1.226 -10.160 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.567 -1.460 -11.062 1.00 0.00 O ATOM 0 H GLU A 74 6.639 3.457 -12.891 1.00 0.00 H new ATOM 0 HA GLU A 74 7.396 0.786 -14.002 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.454 1.418 -11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.357 -0.189 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.979 0.545 -12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.744 1.314 -10.915 1.00 0.00 H new ATOM 1239 N THR A 75 4.933 0.274 -14.428 1.00 0.00 N ATOM 1240 CA THR A 75 3.522 0.179 -14.904 1.00 0.00 C ATOM 1241 C THR A 75 2.824 -0.983 -14.190 1.00 0.00 C ATOM 1242 O THR A 75 3.364 -2.064 -14.073 1.00 0.00 O ATOM 1243 CB THR A 75 3.504 -0.061 -16.415 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.060 1.066 -17.078 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.063 -0.272 -16.885 1.00 0.00 C ATOM 0 H THR A 75 5.524 -0.524 -14.662 1.00 0.00 H new ATOM 0 HA THR A 75 2.999 1.110 -14.683 1.00 0.00 H new ATOM 0 HB THR A 75 4.092 -0.948 -16.649 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.051 0.913 -18.046 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.053 -0.443 -17.961 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.637 -1.137 -16.376 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.471 0.613 -16.652 1.00 0.00 H new ATOM 1253 N LEU A 76 1.630 -0.768 -13.706 1.00 0.00 N ATOM 1254 CA LEU A 76 0.903 -1.860 -12.993 1.00 0.00 C ATOM 1255 C LEU A 76 -0.359 -2.241 -13.771 1.00 0.00 C ATOM 1256 O LEU A 76 -0.818 -1.507 -14.617 1.00 0.00 O ATOM 1257 CB LEU A 76 0.503 -1.383 -11.597 1.00 0.00 C ATOM 1258 CG LEU A 76 1.380 -2.068 -10.552 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.790 -1.056 -9.484 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.589 -3.197 -9.894 1.00 0.00 C ATOM 0 H LEU A 76 1.126 0.116 -13.773 1.00 0.00 H new ATOM 0 HA LEU A 76 1.558 -2.728 -12.914 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.613 -0.301 -11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.547 -1.610 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 76 2.271 -2.471 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.416 -1.547 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.348 -0.243 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.899 -0.655 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.211 -3.690 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.299 -2.787 -9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.290 -3.921 -10.652 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.930 -3.380 -13.485 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.173 -3.797 -14.202 1.00 0.00 C ATOM 1274 C PHE A 77 -3.298 -4.000 -13.178 1.00 0.00 C ATOM 1275 O PHE A 77 -3.061 -4.414 -12.063 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.924 -5.113 -14.948 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.892 -4.915 -16.038 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.656 -3.640 -16.571 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.171 -6.015 -16.518 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.299 -3.469 -17.581 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.784 -5.843 -17.528 1.00 0.00 C ATOM 1282 CZ PHE A 77 1.018 -4.569 -18.059 1.00 0.00 C ATOM 0 H PHE A 77 -0.591 -4.041 -12.786 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.456 -3.025 -14.918 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.582 -5.876 -14.249 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.856 -5.474 -15.382 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.211 -2.790 -16.203 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.352 -6.998 -16.109 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.480 -2.487 -17.991 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.339 -6.693 -17.897 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.754 -4.436 -18.838 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.520 -3.714 -13.537 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.634 -3.902 -12.562 1.00 0.00 C ATOM 1294 C LEU A 78 -6.159 -5.335 -12.662 1.00 0.00 C ATOM 1295 O LEU A 78 -6.431 -5.836 -13.735 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.765 -2.918 -12.866 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.180 -2.204 -11.577 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.288 -0.708 -11.828 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.540 -2.716 -11.111 1.00 0.00 C ATOM 0 H LEU A 78 -4.795 -3.362 -14.454 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.264 -3.718 -11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.438 -2.190 -13.609 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.617 -3.447 -13.292 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.428 -2.402 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.584 -0.205 -10.907 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.323 -0.324 -12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.035 -0.521 -12.599 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.827 -2.203 -10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.285 -2.524 -11.883 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.480 -3.788 -10.923 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.303 -5.998 -11.548 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.812 -7.401 -11.571 1.00 0.00 C ATOM 1313 C GLU A 79 -7.729 -7.620 -10.369 1.00 0.00 C ATOM 1314 O GLU A 79 -7.345 -7.401 -9.237 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.633 -8.374 -11.495 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.882 -9.556 -12.435 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.852 -9.535 -13.566 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.797 -8.955 -13.368 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -5.136 -10.098 -14.609 1.00 0.00 O ATOM 0 H GLU A 79 -6.090 -5.630 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.366 -7.575 -12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.710 -7.865 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.507 -8.730 -10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.813 -10.494 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.890 -9.501 -12.846 1.00 0.00 H new ATOM 1326 N ALA A 80 -8.945 -8.036 -10.599 1.00 0.00 N ATOM 1327 CA ALA A 80 -9.884 -8.246 -9.459 1.00 0.00 C ATOM 1328 C ALA A 80 -9.779 -9.677 -8.946 1.00 0.00 C ATOM 1329 O ALA A 80 -9.499 -10.594 -9.693 1.00 0.00 O ATOM 1330 CB ALA A 80 -11.319 -7.993 -9.919 1.00 0.00 C ATOM 0 H ALA A 80 -9.328 -8.239 -11.522 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.620 -7.553 -8.661 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.002 -8.148 -9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.411 -6.968 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.570 -8.683 -10.725 1.00 0.00 H new ATOM 1336 N LYS A 81 -10.034 -9.866 -7.677 1.00 0.00 N ATOM 1337 CA LYS A 81 -9.988 -11.228 -7.075 1.00 0.00 C ATOM 1338 C LYS A 81 -8.934 -12.093 -7.774 1.00 0.00 C ATOM 1339 O LYS A 81 -7.775 -12.087 -7.411 1.00 0.00 O ATOM 1340 CB LYS A 81 -11.368 -11.859 -7.228 1.00 0.00 C ATOM 1341 CG LYS A 81 -12.308 -11.261 -6.181 1.00 0.00 C ATOM 1342 CD LYS A 81 -13.662 -11.972 -6.240 1.00 0.00 C ATOM 1343 CE LYS A 81 -14.594 -11.218 -7.190 1.00 0.00 C ATOM 1344 NZ LYS A 81 -13.916 -11.028 -8.504 1.00 0.00 N ATOM 0 H LYS A 81 -10.276 -9.121 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.716 -11.158 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.756 -11.677 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.304 -12.940 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.874 -11.365 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.438 -10.194 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.531 -12.999 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.103 -12.021 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.522 -11.774 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.861 -10.251 -6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.615 -10.735 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.185 -10.294 -8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.474 -11.922 -8.799 1.00 0.00 H new ATOM 1358 N GLU A 82 -9.326 -12.835 -8.775 1.00 0.00 N ATOM 1359 CA GLU A 82 -8.344 -13.696 -9.495 1.00 0.00 C ATOM 1360 C GLU A 82 -8.104 -13.132 -10.897 1.00 0.00 C ATOM 1361 O GLU A 82 -8.773 -12.175 -11.251 1.00 0.00 O ATOM 1362 CB GLU A 82 -8.896 -15.119 -9.605 1.00 0.00 C ATOM 1363 CG GLU A 82 -10.177 -15.108 -10.439 1.00 0.00 C ATOM 1364 CD GLU A 82 -10.051 -16.116 -11.583 1.00 0.00 C ATOM 1365 OE1 GLU A 82 -10.416 -17.263 -11.380 1.00 0.00 O ATOM 1366 OE2 GLU A 82 -9.589 -15.725 -12.642 1.00 0.00 O ATOM 1367 OXT GLU A 82 -7.258 -13.668 -11.592 1.00 0.00 O ATOM 0 H GLU A 82 -10.283 -12.882 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.404 -13.713 -8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.155 -15.773 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.100 -15.519 -8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.033 -15.358 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.355 -14.109 -10.838 1.00 0.00 H new TER 1374 GLU A 82