USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 779 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 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= -0.178 (180deg=-1.64!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.21 (180deg=-0.5) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.5!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -141:sc= -1.12! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 16:sc= 0.85 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -3.19! (180deg=-3.73!) USER MOD Single : A 46 MET CE :methyl 144:sc= -0.187 (180deg=-1.16) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -5.12! C(o=-5.1!,f=-1.6!) USER MOD Single : A 59 TYR OH : rot -91:sc= 0.483 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 83 ASN : amide:sc= -6.77! C(o=-6.8!,f=-14!) USER MOD Single : A 88 ASN : amide:sc=-0.00526 X(o=-0.0053,f=-0.016) USER MOD Single : A 91 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 92 GLN : amide:sc= -4.5! C(o=-4.5!,f=-7.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 41.767 15.337 -18.762 1.00 0.00 N ATOM 2 CA PRO A 1 43.247 15.345 -18.815 1.00 0.00 C ATOM 3 C PRO A 1 43.762 13.915 -18.939 1.00 0.00 C ATOM 4 O PRO A 1 43.173 12.983 -18.390 1.00 0.00 O ATOM 5 CB PRO A 1 43.770 15.992 -17.535 1.00 0.00 C ATOM 6 CG PRO A 1 42.554 16.296 -16.713 1.00 0.00 C ATOM 7 CD PRO A 1 41.328 16.205 -17.638 1.00 0.00 C ATOM 0 H2 PRO A 1 41.423 14.386 -18.630 1.00 0.00 H new ATOM 0 H3 PRO A 1 41.379 15.675 -19.643 1.00 0.00 H new ATOM 0 HA PRO A 1 43.595 15.911 -19.679 1.00 0.00 H new ATOM 0 HB2 PRO A 1 44.445 15.321 -17.004 1.00 0.00 H new ATOM 0 HB3 PRO A 1 44.331 16.900 -17.755 1.00 0.00 H new ATOM 0 HG2 PRO A 1 42.464 15.589 -15.888 1.00 0.00 H new ATOM 0 HG3 PRO A 1 42.628 17.291 -16.274 1.00 0.00 H new ATOM 0 HD2 PRO A 1 40.471 15.777 -17.118 1.00 0.00 H new ATOM 0 HD3 PRO A 1 41.026 17.190 -17.993 1.00 0.00 H new ATOM 17 N GLN A 2 44.862 13.748 -19.666 1.00 0.00 N ATOM 18 CA GLN A 2 45.446 12.425 -19.860 1.00 0.00 C ATOM 19 C GLN A 2 46.398 12.089 -18.717 1.00 0.00 C ATOM 20 O GLN A 2 47.030 12.976 -18.143 1.00 0.00 O ATOM 21 CB GLN A 2 46.201 12.380 -21.191 1.00 0.00 C ATOM 22 CG GLN A 2 45.229 12.663 -22.338 1.00 0.00 C ATOM 23 CD GLN A 2 45.971 12.653 -23.670 1.00 0.00 C ATOM 24 OE1 GLN A 2 47.202 12.657 -23.698 1.00 0.00 O ATOM 25 NE2 GLN A 2 45.292 12.644 -24.785 1.00 0.00 N ATOM 0 H GLN A 2 45.364 14.506 -20.128 1.00 0.00 H new ATOM 0 HA GLN A 2 44.642 11.689 -19.875 1.00 0.00 H new ATOM 0 HB2 GLN A 2 47.004 13.117 -21.191 1.00 0.00 H new ATOM 0 HB3 GLN A 2 46.665 11.403 -21.326 1.00 0.00 H new ATOM 0 HG2 GLN A 2 44.438 11.913 -22.348 1.00 0.00 H new ATOM 0 HG3 GLN A 2 44.749 13.630 -22.188 1.00 0.00 H new ATOM 0 HE21 GLN A 2 44.272 12.641 -24.761 1.00 0.00 H new ATOM 0 HE22 GLN A 2 45.781 12.640 -25.680 1.00 0.00 H new ATOM 34 N ILE A 3 46.495 10.804 -18.387 1.00 0.00 N ATOM 35 CA ILE A 3 47.373 10.368 -17.306 1.00 0.00 C ATOM 36 C ILE A 3 48.402 9.364 -17.817 1.00 0.00 C ATOM 37 O ILE A 3 48.075 8.463 -18.588 1.00 0.00 O ATOM 38 CB ILE A 3 46.551 9.727 -16.185 1.00 0.00 C ATOM 39 CG1 ILE A 3 47.489 9.283 -15.057 1.00 0.00 C ATOM 40 CG2 ILE A 3 45.800 8.511 -16.731 1.00 0.00 C ATOM 41 CD1 ILE A 3 46.667 8.932 -13.815 1.00 0.00 C ATOM 0 H ILE A 3 45.982 10.053 -18.848 1.00 0.00 H new ATOM 0 HA ILE A 3 47.895 11.243 -16.920 1.00 0.00 H new ATOM 0 HB ILE A 3 45.834 10.452 -15.800 1.00 0.00 H new ATOM 0 HG12 ILE A 3 48.073 8.420 -15.375 1.00 0.00 H new ATOM 0 HG13 ILE A 3 48.197 10.079 -14.824 1.00 0.00 H new ATOM 0 HG21 ILE A 3 45.215 8.056 -15.932 1.00 0.00 H new ATOM 0 HG22 ILE A 3 45.134 8.825 -17.534 1.00 0.00 H new ATOM 0 HG23 ILE A 3 46.515 7.784 -17.116 1.00 0.00 H new ATOM 0 HD11 ILE A 3 47.335 8.616 -13.014 1.00 0.00 H new ATOM 0 HD12 ILE A 3 46.102 9.807 -13.493 1.00 0.00 H new ATOM 0 HD13 ILE A 3 45.977 8.122 -14.052 1.00 0.00 H new ATOM 53 N THR A 4 49.645 9.529 -17.380 1.00 0.00 N ATOM 54 CA THR A 4 50.716 8.634 -17.796 1.00 0.00 C ATOM 55 C THR A 4 50.829 7.451 -16.838 1.00 0.00 C ATOM 56 O THR A 4 50.325 7.498 -15.716 1.00 0.00 O ATOM 57 CB THR A 4 52.044 9.394 -17.830 1.00 0.00 C ATOM 58 OG1 THR A 4 52.479 9.642 -16.500 1.00 0.00 O ATOM 59 CG2 THR A 4 51.858 10.723 -18.564 1.00 0.00 C ATOM 0 H THR A 4 49.934 10.270 -16.741 1.00 0.00 H new ATOM 0 HA THR A 4 50.485 8.258 -18.793 1.00 0.00 H new ATOM 0 HB THR A 4 52.791 8.796 -18.353 1.00 0.00 H new ATOM 0 HG1 THR A 4 53.330 10.127 -16.519 1.00 0.00 H new ATOM 0 HG21 THR A 4 52.805 11.262 -18.587 1.00 0.00 H new ATOM 0 HG22 THR A 4 51.525 10.532 -19.584 1.00 0.00 H new ATOM 0 HG23 THR A 4 51.111 11.324 -18.045 1.00 0.00 H new ATOM 67 N LEU A 5 51.496 6.392 -17.288 1.00 0.00 N ATOM 68 CA LEU A 5 51.672 5.204 -16.458 1.00 0.00 C ATOM 69 C LEU A 5 53.015 5.243 -15.733 1.00 0.00 C ATOM 70 O LEU A 5 53.924 5.977 -16.121 1.00 0.00 O ATOM 71 CB LEU A 5 51.542 3.920 -17.308 1.00 0.00 C ATOM 72 CG LEU A 5 52.762 3.702 -18.228 1.00 0.00 C ATOM 73 CD1 LEU A 5 53.091 4.981 -19.002 1.00 0.00 C ATOM 74 CD2 LEU A 5 53.989 3.268 -17.413 1.00 0.00 C ATOM 0 H LEU A 5 51.920 6.332 -18.214 1.00 0.00 H new ATOM 0 HA LEU A 5 50.883 5.194 -15.706 1.00 0.00 H new ATOM 0 HB2 LEU A 5 51.429 3.060 -16.648 1.00 0.00 H new ATOM 0 HB3 LEU A 5 50.638 3.978 -17.914 1.00 0.00 H new ATOM 0 HG LEU A 5 52.508 2.912 -18.935 1.00 0.00 H new ATOM 0 HD11 LEU A 5 53.954 4.806 -19.644 1.00 0.00 H new ATOM 0 HD12 LEU A 5 52.235 5.266 -19.614 1.00 0.00 H new ATOM 0 HD13 LEU A 5 53.318 5.783 -18.300 1.00 0.00 H new ATOM 0 HD21 LEU A 5 54.837 3.120 -18.082 1.00 0.00 H new ATOM 0 HD22 LEU A 5 54.233 4.040 -16.683 1.00 0.00 H new ATOM 0 HD23 LEU A 5 53.770 2.335 -16.894 1.00 0.00 H new ATOM 86 N TRP A 6 53.132 4.453 -14.669 1.00 0.00 N ATOM 87 CA TRP A 6 54.369 4.409 -13.896 1.00 0.00 C ATOM 88 C TRP A 6 55.098 3.087 -14.122 1.00 0.00 C ATOM 89 O TRP A 6 54.492 2.016 -14.084 1.00 0.00 O ATOM 90 CB TRP A 6 54.054 4.577 -12.407 1.00 0.00 C ATOM 91 CG TRP A 6 52.940 3.655 -12.027 1.00 0.00 C ATOM 92 CD1 TRP A 6 53.095 2.381 -11.599 1.00 0.00 C ATOM 93 CD2 TRP A 6 51.505 3.914 -12.031 1.00 0.00 C ATOM 94 NE1 TRP A 6 51.847 1.839 -11.345 1.00 0.00 N ATOM 95 CE2 TRP A 6 50.836 2.745 -11.595 1.00 0.00 C ATOM 96 CE3 TRP A 6 50.727 5.036 -12.367 1.00 0.00 C ATOM 97 CZ2 TRP A 6 49.445 2.692 -11.498 1.00 0.00 C ATOM 98 CZ3 TRP A 6 49.328 4.987 -12.270 1.00 0.00 C ATOM 99 CH2 TRP A 6 48.687 3.817 -11.836 1.00 0.00 C ATOM 0 H TRP A 6 52.393 3.840 -14.325 1.00 0.00 H new ATOM 0 HA TRP A 6 55.014 5.223 -14.226 1.00 0.00 H new ATOM 0 HB2 TRP A 6 54.940 4.360 -11.810 1.00 0.00 H new ATOM 0 HB3 TRP A 6 53.774 5.609 -12.198 1.00 0.00 H new ATOM 0 HD1 TRP A 6 54.039 1.870 -11.476 1.00 0.00 H new ATOM 0 HE1 TRP A 6 51.693 0.887 -11.014 1.00 0.00 H new ATOM 0 HE3 TRP A 6 51.210 5.942 -12.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 48.957 1.788 -11.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 48.741 5.855 -12.531 1.00 0.00 H new ATOM 0 HH2 TRP A 6 47.610 3.785 -11.763 1.00 0.00 H new ATOM 110 N LYS A 7 56.406 3.170 -14.357 1.00 0.00 N ATOM 111 CA LYS A 7 57.214 1.976 -14.587 1.00 0.00 C ATOM 112 C LYS A 7 58.546 2.087 -13.850 1.00 0.00 C ATOM 113 O LYS A 7 59.158 3.155 -13.817 1.00 0.00 O ATOM 114 CB LYS A 7 57.471 1.791 -16.085 1.00 0.00 C ATOM 115 CG LYS A 7 58.158 0.443 -16.324 1.00 0.00 C ATOM 116 CD LYS A 7 58.459 0.276 -17.817 1.00 0.00 C ATOM 117 CE LYS A 7 58.964 -1.145 -18.082 1.00 0.00 C ATOM 118 NZ LYS A 7 60.256 -1.084 -18.824 1.00 0.00 N ATOM 0 H LYS A 7 56.926 4.047 -14.393 1.00 0.00 H new ATOM 0 HA LYS A 7 56.668 1.112 -14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 7 56.530 1.834 -16.634 1.00 0.00 H new ATOM 0 HB3 LYS A 7 58.096 2.601 -16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 7 59.082 0.387 -15.748 1.00 0.00 H new ATOM 0 HG3 LYS A 7 57.518 -0.369 -15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 7 57.561 0.469 -18.403 1.00 0.00 H new ATOM 0 HD3 LYS A 7 59.207 1.004 -18.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 59.098 -1.676 -17.140 1.00 0.00 H new ATOM 0 HE3 LYS A 7 58.227 -1.702 -18.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 60.896 -1.822 -18.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 60.082 -1.237 -19.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 60.692 -0.150 -18.685 1.00 0.00 H new ATOM 132 N ARG A 8 58.989 0.985 -13.257 1.00 0.00 N ATOM 133 CA ARG A 8 60.250 0.985 -12.524 1.00 0.00 C ATOM 134 C ARG A 8 61.383 1.488 -13.421 1.00 0.00 C ATOM 135 O ARG A 8 61.378 1.243 -14.627 1.00 0.00 O ATOM 136 CB ARG A 8 60.573 -0.431 -12.042 1.00 0.00 C ATOM 137 CG ARG A 8 59.302 -1.093 -11.505 1.00 0.00 C ATOM 138 CD ARG A 8 59.681 -2.187 -10.505 1.00 0.00 C ATOM 139 NE ARG A 8 58.497 -2.935 -10.101 1.00 0.00 N ATOM 140 CZ ARG A 8 58.602 -4.113 -9.493 1.00 0.00 C ATOM 141 NH1 ARG A 8 59.779 -4.621 -9.251 1.00 0.00 N ATOM 142 NH2 ARG A 8 57.527 -4.762 -9.137 1.00 0.00 N ATOM 0 H ARG A 8 58.501 0.089 -13.268 1.00 0.00 H new ATOM 0 HA ARG A 8 60.153 1.648 -11.664 1.00 0.00 H new ATOM 0 HB2 ARG A 8 60.983 -1.020 -12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 8 61.334 -0.396 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 8 58.667 -0.349 -11.023 1.00 0.00 H new ATOM 0 HG3 ARG A 8 58.726 -1.520 -12.326 1.00 0.00 H new ATOM 0 HD2 ARG A 8 60.411 -2.862 -10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 8 60.154 -1.741 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 8 57.572 -2.548 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 8 60.620 -4.115 -9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 8 59.858 -5.525 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 8 56.606 -4.366 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 8 57.608 -5.666 -8.671 1.00 0.00 H new ATOM 156 N PRO A 9 62.347 2.183 -12.866 1.00 0.00 N ATOM 157 CA PRO A 9 63.499 2.719 -13.651 1.00 0.00 C ATOM 158 C PRO A 9 64.380 1.606 -14.212 1.00 0.00 C ATOM 159 O PRO A 9 64.566 0.569 -13.575 1.00 0.00 O ATOM 160 CB PRO A 9 64.274 3.574 -12.645 1.00 0.00 C ATOM 161 CG PRO A 9 63.870 3.077 -11.297 1.00 0.00 C ATOM 162 CD PRO A 9 62.452 2.529 -11.439 1.00 0.00 C ATOM 0 HA PRO A 9 63.166 3.284 -14.521 1.00 0.00 H new ATOM 0 HB2 PRO A 9 65.349 3.474 -12.793 1.00 0.00 H new ATOM 0 HB3 PRO A 9 64.033 4.631 -12.761 1.00 0.00 H new ATOM 0 HG2 PRO A 9 64.552 2.301 -10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 9 63.902 3.881 -10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 9 62.295 1.657 -10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.707 3.271 -11.152 1.00 0.00 H new ATOM 170 N LEU A 10 64.924 1.831 -15.402 1.00 0.00 N ATOM 171 CA LEU A 10 65.788 0.844 -16.036 1.00 0.00 C ATOM 172 C LEU A 10 67.235 1.055 -15.601 1.00 0.00 C ATOM 173 O LEU A 10 67.666 2.187 -15.378 1.00 0.00 O ATOM 174 CB LEU A 10 65.691 0.961 -17.560 1.00 0.00 C ATOM 175 CG LEU A 10 64.227 0.856 -17.989 1.00 0.00 C ATOM 176 CD1 LEU A 10 64.143 0.874 -19.516 1.00 0.00 C ATOM 177 CD2 LEU A 10 63.631 -0.453 -17.464 1.00 0.00 C ATOM 0 H LEU A 10 64.783 2.683 -15.944 1.00 0.00 H new ATOM 0 HA LEU A 10 65.463 -0.150 -15.730 1.00 0.00 H new ATOM 0 HB2 LEU A 10 66.110 1.912 -17.889 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.277 0.173 -18.034 1.00 0.00 H new ATOM 0 HG LEU A 10 63.669 1.699 -17.581 1.00 0.00 H new ATOM 0 HD11 LEU A 10 63.100 0.799 -19.824 1.00 0.00 H new ATOM 0 HD12 LEU A 10 64.567 1.805 -19.893 1.00 0.00 H new ATOM 0 HD13 LEU A 10 64.702 0.031 -19.921 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.588 -0.526 -17.771 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.189 -1.296 -17.871 1.00 0.00 H new ATOM 0 HD23 LEU A 10 63.692 -0.470 -16.376 1.00 0.00 H new ATOM 189 N VAL A 11 67.981 -0.037 -15.482 1.00 0.00 N ATOM 190 CA VAL A 11 69.377 0.048 -15.069 1.00 0.00 C ATOM 191 C VAL A 11 70.280 -0.634 -16.089 1.00 0.00 C ATOM 192 O VAL A 11 69.914 -1.653 -16.676 1.00 0.00 O ATOM 193 CB VAL A 11 69.562 -0.610 -13.701 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.280 -2.108 -13.813 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.000 -0.396 -13.225 1.00 0.00 C ATOM 0 H VAL A 11 67.647 -0.983 -15.664 1.00 0.00 H new ATOM 0 HA VAL A 11 69.651 1.101 -15.004 1.00 0.00 H new ATOM 0 HB VAL A 11 68.871 -0.164 -12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.412 -2.577 -12.838 1.00 0.00 H new ATOM 0 HG12 VAL A 11 68.256 -2.261 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 11 69.971 -2.556 -14.527 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.134 -0.864 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 11 71.690 -0.843 -13.940 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.202 0.672 -13.145 1.00 0.00 H new ATOM 205 N THR A 12 71.464 -0.068 -16.292 1.00 0.00 N ATOM 206 CA THR A 12 72.415 -0.633 -17.240 1.00 0.00 C ATOM 207 C THR A 12 73.768 -0.849 -16.571 1.00 0.00 C ATOM 208 O THR A 12 74.084 -0.212 -15.566 1.00 0.00 O ATOM 209 CB THR A 12 72.578 0.303 -18.439 1.00 0.00 C ATOM 210 OG1 THR A 12 73.420 1.389 -18.079 1.00 0.00 O ATOM 211 CG2 THR A 12 71.208 0.837 -18.861 1.00 0.00 C ATOM 0 H THR A 12 71.786 0.775 -15.817 1.00 0.00 H new ATOM 0 HA THR A 12 72.033 -1.595 -17.583 1.00 0.00 H new ATOM 0 HB THR A 12 73.024 -0.244 -19.269 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.527 1.989 -18.847 1.00 0.00 H new ATOM 0 HG21 THR A 12 71.325 1.504 -19.715 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.562 0.004 -19.137 1.00 0.00 H new ATOM 0 HG23 THR A 12 70.760 1.385 -18.032 1.00 0.00 H new ATOM 219 N ILE A 13 74.560 -1.751 -17.136 1.00 0.00 N ATOM 220 CA ILE A 13 75.878 -2.046 -16.589 1.00 0.00 C ATOM 221 C ILE A 13 76.934 -1.984 -17.687 1.00 0.00 C ATOM 222 O ILE A 13 76.609 -2.018 -18.874 1.00 0.00 O ATOM 223 CB ILE A 13 75.875 -3.432 -15.938 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.662 -4.513 -17.005 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.740 -3.509 -14.914 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.734 -5.893 -16.349 1.00 0.00 C ATOM 0 H ILE A 13 74.315 -2.288 -17.968 1.00 0.00 H new ATOM 0 HA ILE A 13 76.119 -1.299 -15.833 1.00 0.00 H new ATOM 0 HB ILE A 13 76.833 -3.596 -15.445 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.694 -4.378 -17.488 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.421 -4.427 -17.782 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.736 -4.495 -14.449 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.888 -2.747 -14.148 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.787 -3.340 -15.414 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.583 -6.664 -17.105 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.712 -6.025 -15.886 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.958 -5.975 -15.588 1.00 0.00 H new ATOM 238 N LYS A 14 78.200 -1.907 -17.287 1.00 0.00 N ATOM 239 CA LYS A 14 79.287 -1.857 -18.258 1.00 0.00 C ATOM 240 C LYS A 14 80.238 -3.030 -18.047 1.00 0.00 C ATOM 241 O LYS A 14 80.905 -3.126 -17.014 1.00 0.00 O ATOM 242 CB LYS A 14 80.052 -0.536 -18.135 1.00 0.00 C ATOM 243 CG LYS A 14 79.128 0.624 -18.509 1.00 0.00 C ATOM 244 CD LYS A 14 79.925 1.930 -18.517 1.00 0.00 C ATOM 245 CE LYS A 14 78.979 3.104 -18.773 1.00 0.00 C ATOM 246 NZ LYS A 14 78.717 3.218 -20.235 1.00 0.00 N ATOM 0 H LYS A 14 78.495 -1.878 -16.311 1.00 0.00 H new ATOM 0 HA LYS A 14 78.860 -1.924 -19.258 1.00 0.00 H new ATOM 0 HB2 LYS A 14 80.419 -0.409 -17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.924 -0.546 -18.789 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.686 0.449 -19.490 1.00 0.00 H new ATOM 0 HG3 LYS A 14 78.306 0.692 -17.797 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.436 2.062 -17.563 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.694 1.894 -19.288 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.043 2.955 -18.235 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.419 4.028 -18.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.864 3.793 -20.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.530 3.671 -20.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 78.574 2.270 -20.637 1.00 0.00 H new ATOM 260 N ILE A 15 80.297 -3.919 -19.034 1.00 0.00 N ATOM 261 CA ILE A 15 81.172 -5.082 -18.952 1.00 0.00 C ATOM 262 C ILE A 15 81.866 -5.336 -20.290 1.00 0.00 C ATOM 263 O ILE A 15 81.222 -5.386 -21.337 1.00 0.00 O ATOM 264 CB ILE A 15 80.362 -6.314 -18.535 1.00 0.00 C ATOM 265 CG1 ILE A 15 81.220 -7.577 -18.703 1.00 0.00 C ATOM 266 CG2 ILE A 15 79.092 -6.415 -19.386 1.00 0.00 C ATOM 267 CD1 ILE A 15 80.853 -8.300 -20.003 1.00 0.00 C ATOM 0 H ILE A 15 79.753 -3.857 -19.894 1.00 0.00 H new ATOM 0 HA ILE A 15 81.939 -4.886 -18.203 1.00 0.00 H new ATOM 0 HB ILE A 15 80.073 -6.220 -17.488 1.00 0.00 H new ATOM 0 HG12 ILE A 15 82.276 -7.308 -18.714 1.00 0.00 H new ATOM 0 HG13 ILE A 15 81.069 -8.243 -17.853 1.00 0.00 H new ATOM 0 HG21 ILE A 15 78.521 -7.293 -19.084 1.00 0.00 H new ATOM 0 HG22 ILE A 15 78.486 -5.521 -19.242 1.00 0.00 H new ATOM 0 HG23 ILE A 15 79.365 -6.503 -20.438 1.00 0.00 H new ATOM 0 HD11 ILE A 15 81.469 -9.193 -20.109 1.00 0.00 H new ATOM 0 HD12 ILE A 15 79.801 -8.585 -19.976 1.00 0.00 H new ATOM 0 HD13 ILE A 15 81.027 -7.636 -20.850 1.00 0.00 H new ATOM 279 N GLY A 16 83.183 -5.505 -20.243 1.00 0.00 N ATOM 280 CA GLY A 16 83.956 -5.768 -21.452 1.00 0.00 C ATOM 281 C GLY A 16 84.005 -4.546 -22.367 1.00 0.00 C ATOM 282 O GLY A 16 84.567 -4.607 -23.460 1.00 0.00 O ATOM 0 H GLY A 16 83.735 -5.465 -19.386 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.970 -6.060 -21.179 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.516 -6.608 -21.990 1.00 0.00 H new ATOM 286 N GLY A 17 83.411 -3.442 -21.924 1.00 0.00 N ATOM 287 CA GLY A 17 83.397 -2.226 -22.731 1.00 0.00 C ATOM 288 C GLY A 17 82.068 -2.076 -23.466 1.00 0.00 C ATOM 289 O GLY A 17 81.890 -1.159 -24.267 1.00 0.00 O ATOM 0 H GLY A 17 82.939 -3.364 -21.023 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.564 -1.359 -22.092 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.215 -2.253 -23.451 1.00 0.00 H new ATOM 293 N GLN A 18 81.137 -2.979 -23.179 1.00 0.00 N ATOM 294 CA GLN A 18 79.822 -2.937 -23.809 1.00 0.00 C ATOM 295 C GLN A 18 78.735 -2.783 -22.753 1.00 0.00 C ATOM 296 O GLN A 18 78.913 -3.190 -21.604 1.00 0.00 O ATOM 297 CB GLN A 18 79.579 -4.220 -24.608 1.00 0.00 C ATOM 298 CG GLN A 18 80.563 -4.291 -25.776 1.00 0.00 C ATOM 299 CD GLN A 18 80.377 -5.601 -26.535 1.00 0.00 C ATOM 300 OE1 GLN A 18 79.775 -6.540 -26.015 1.00 0.00 O ATOM 301 NE2 GLN A 18 80.862 -5.720 -27.741 1.00 0.00 N ATOM 0 H GLN A 18 81.267 -3.745 -22.518 1.00 0.00 H new ATOM 0 HA GLN A 18 79.789 -2.081 -24.483 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.701 -5.090 -23.963 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.555 -4.240 -24.980 1.00 0.00 H new ATOM 0 HG2 GLN A 18 80.405 -3.447 -26.447 1.00 0.00 H new ATOM 0 HG3 GLN A 18 81.586 -4.217 -25.406 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.360 -4.940 -28.169 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.742 -6.593 -28.255 1.00 0.00 H new ATOM 310 N LEU A 19 77.611 -2.192 -23.143 1.00 0.00 N ATOM 311 CA LEU A 19 76.508 -1.994 -22.211 1.00 0.00 C ATOM 312 C LEU A 19 75.506 -3.140 -22.309 1.00 0.00 C ATOM 313 O LEU A 19 75.091 -3.524 -23.403 1.00 0.00 O ATOM 314 CB LEU A 19 75.801 -0.670 -22.512 1.00 0.00 C ATOM 315 CG LEU A 19 76.783 0.492 -22.343 1.00 0.00 C ATOM 316 CD1 LEU A 19 77.442 0.807 -23.688 1.00 0.00 C ATOM 317 CD2 LEU A 19 76.026 1.727 -21.846 1.00 0.00 C ATOM 0 H LEU A 19 77.441 -1.845 -24.087 1.00 0.00 H new ATOM 0 HA LEU A 19 76.914 -1.969 -21.200 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.407 -0.680 -23.528 1.00 0.00 H new ATOM 0 HB3 LEU A 19 74.951 -0.540 -21.842 1.00 0.00 H new ATOM 0 HG LEU A 19 77.550 0.217 -21.620 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.141 1.635 -23.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 77.979 -0.072 -24.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.676 1.083 -24.413 1.00 0.00 H new ATOM 0 HD21 LEU A 19 76.723 2.556 -21.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.259 2.000 -22.571 1.00 0.00 H new ATOM 0 HD23 LEU A 19 75.556 1.505 -20.888 1.00 0.00 H new ATOM 329 N LYS A 20 75.117 -3.675 -21.157 1.00 0.00 N ATOM 330 CA LYS A 20 74.154 -4.770 -21.119 1.00 0.00 C ATOM 331 C LYS A 20 73.048 -4.475 -20.115 1.00 0.00 C ATOM 332 O LYS A 20 73.236 -3.697 -19.179 1.00 0.00 O ATOM 333 CB LYS A 20 74.847 -6.082 -20.744 1.00 0.00 C ATOM 334 CG LYS A 20 75.854 -6.461 -21.830 1.00 0.00 C ATOM 335 CD LYS A 20 76.420 -7.853 -21.539 1.00 0.00 C ATOM 336 CE LYS A 20 77.519 -8.181 -22.552 1.00 0.00 C ATOM 337 NZ LYS A 20 78.281 -9.376 -22.091 1.00 0.00 N ATOM 0 H LYS A 20 75.451 -3.371 -20.242 1.00 0.00 H new ATOM 0 HA LYS A 20 73.717 -4.869 -22.113 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.354 -5.975 -19.785 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.108 -6.875 -20.627 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.372 -6.450 -22.808 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.661 -5.729 -21.864 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.822 -7.889 -20.526 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.626 -8.598 -21.594 1.00 0.00 H new ATOM 0 HE2 LYS A 20 77.080 -8.372 -23.531 1.00 0.00 H new ATOM 0 HE3 LYS A 20 78.190 -7.330 -22.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.292 -9.244 -22.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 78.149 -9.498 -21.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 77.934 -10.222 -22.587 1.00 0.00 H new ATOM 351 N GLU A 21 71.900 -5.111 -20.308 1.00 0.00 N ATOM 352 CA GLU A 21 70.771 -4.925 -19.407 1.00 0.00 C ATOM 353 C GLU A 21 70.607 -6.161 -18.534 1.00 0.00 C ATOM 354 O GLU A 21 70.727 -7.289 -19.015 1.00 0.00 O ATOM 355 CB GLU A 21 69.492 -4.683 -20.211 1.00 0.00 C ATOM 356 CG GLU A 21 68.344 -4.339 -19.260 1.00 0.00 C ATOM 357 CD GLU A 21 67.045 -4.188 -20.044 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.078 -4.379 -21.249 1.00 0.00 O ATOM 359 OE2 GLU A 21 66.036 -3.883 -19.429 1.00 0.00 O ATOM 0 H GLU A 21 71.727 -5.758 -21.077 1.00 0.00 H new ATOM 0 HA GLU A 21 70.958 -4.058 -18.774 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.645 -3.870 -20.921 1.00 0.00 H new ATOM 0 HB3 GLU A 21 69.242 -5.571 -20.792 1.00 0.00 H new ATOM 0 HG2 GLU A 21 68.236 -5.121 -18.509 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.567 -3.414 -18.727 1.00 0.00 H new ATOM 366 N ALA A 22 70.341 -5.953 -17.251 1.00 0.00 N ATOM 367 CA ALA A 22 70.176 -7.072 -16.333 1.00 0.00 C ATOM 368 C ALA A 22 69.119 -6.765 -15.279 1.00 0.00 C ATOM 369 O ALA A 22 68.920 -5.611 -14.899 1.00 0.00 O ATOM 370 CB ALA A 22 71.509 -7.378 -15.648 1.00 0.00 C ATOM 0 H ALA A 22 70.236 -5.032 -16.826 1.00 0.00 H new ATOM 0 HA ALA A 22 69.848 -7.939 -16.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.382 -8.216 -14.962 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.254 -7.635 -16.401 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.842 -6.501 -15.092 1.00 0.00 H new ATOM 376 N LEU A 23 68.450 -7.812 -14.808 1.00 0.00 N ATOM 377 CA LEU A 23 67.418 -7.654 -13.791 1.00 0.00 C ATOM 378 C LEU A 23 67.955 -8.081 -12.431 1.00 0.00 C ATOM 379 O LEU A 23 68.738 -9.025 -12.333 1.00 0.00 O ATOM 380 CB LEU A 23 66.194 -8.500 -14.147 1.00 0.00 C ATOM 381 CG LEU A 23 65.731 -8.166 -15.566 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.441 -8.927 -15.877 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.472 -6.663 -15.678 1.00 0.00 C ATOM 0 H LEU A 23 68.603 -8.773 -15.112 1.00 0.00 H new ATOM 0 HA LEU A 23 67.128 -6.604 -13.749 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.439 -9.560 -14.074 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.389 -8.309 -13.437 1.00 0.00 H new ATOM 0 HG LEU A 23 66.505 -8.457 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 23 64.112 -8.688 -16.888 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.623 -9.999 -15.798 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.667 -8.637 -15.166 1.00 0.00 H new ATOM 0 HD21 LEU A 23 65.142 -6.425 -16.689 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.699 -6.373 -14.966 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.390 -6.118 -15.458 1.00 0.00 H new ATOM 395 N LEU A 24 67.534 -7.384 -11.383 1.00 0.00 N ATOM 396 CA LEU A 24 67.990 -7.711 -10.041 1.00 0.00 C ATOM 397 C LEU A 24 67.031 -8.696 -9.379 1.00 0.00 C ATOM 398 O LEU A 24 65.859 -8.389 -9.165 1.00 0.00 O ATOM 399 CB LEU A 24 68.084 -6.439 -9.190 1.00 0.00 C ATOM 400 CG LEU A 24 69.183 -5.516 -9.733 1.00 0.00 C ATOM 401 CD1 LEU A 24 70.537 -6.221 -9.646 1.00 0.00 C ATOM 402 CD2 LEU A 24 68.889 -5.153 -11.191 1.00 0.00 C ATOM 0 H LEU A 24 66.886 -6.598 -11.436 1.00 0.00 H new ATOM 0 HA LEU A 24 68.976 -8.169 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 24 67.127 -5.918 -9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.299 -6.701 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 24 69.208 -4.605 -9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 24 71.315 -5.563 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 24 70.753 -6.467 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 24 70.509 -7.136 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.674 -4.498 -11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.855 -6.061 -11.792 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.929 -4.641 -11.252 1.00 0.00 H new ATOM 414 N ASP A 25 67.543 -9.879 -9.052 1.00 0.00 N ATOM 415 CA ASP A 25 66.730 -10.904 -8.408 1.00 0.00 C ATOM 416 C ASP A 25 67.293 -11.230 -7.030 1.00 0.00 C ATOM 417 O ASP A 25 68.373 -11.810 -6.914 1.00 0.00 O ATOM 418 CB ASP A 25 66.707 -12.171 -9.265 1.00 0.00 C ATOM 419 CG ASP A 25 65.745 -13.190 -8.664 1.00 0.00 C ATOM 420 OD1 ASP A 25 65.074 -12.849 -7.704 1.00 0.00 O ATOM 421 OD2 ASP A 25 65.694 -14.298 -9.172 1.00 0.00 O ATOM 0 H ASP A 25 68.512 -10.150 -9.221 1.00 0.00 H new ATOM 0 HA ASP A 25 65.713 -10.526 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 25 66.402 -11.926 -10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 67.709 -12.597 -9.327 1.00 0.00 H new ATOM 426 N THR A 26 66.563 -10.850 -5.988 1.00 0.00 N ATOM 427 CA THR A 26 67.010 -11.104 -4.625 1.00 0.00 C ATOM 428 C THR A 26 66.498 -12.451 -4.122 1.00 0.00 C ATOM 429 O THR A 26 65.824 -12.521 -3.094 1.00 0.00 O ATOM 430 CB THR A 26 66.515 -9.993 -3.699 1.00 0.00 C ATOM 431 OG1 THR A 26 66.657 -8.737 -4.350 1.00 0.00 O ATOM 432 CG2 THR A 26 67.336 -9.998 -2.410 1.00 0.00 C ATOM 0 H THR A 26 65.666 -10.369 -6.060 1.00 0.00 H new ATOM 0 HA THR A 26 68.100 -11.125 -4.625 1.00 0.00 H new ATOM 0 HB THR A 26 65.465 -10.161 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 26 66.338 -8.024 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 26 66.982 -9.206 -1.750 1.00 0.00 H new ATOM 0 HG22 THR A 26 67.225 -10.961 -1.912 1.00 0.00 H new ATOM 0 HG23 THR A 26 68.387 -9.831 -2.647 1.00 0.00 H new ATOM 440 N GLY A 27 66.817 -13.516 -4.848 1.00 0.00 N ATOM 441 CA GLY A 27 66.378 -14.849 -4.452 1.00 0.00 C ATOM 442 C GLY A 27 66.590 -15.859 -5.573 1.00 0.00 C ATOM 443 O GLY A 27 65.631 -16.409 -6.115 1.00 0.00 O ATOM 0 H GLY A 27 67.371 -13.485 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 27 66.927 -15.166 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 27 65.323 -14.821 -4.180 1.00 0.00 H new ATOM 447 N ALA A 28 67.850 -16.102 -5.916 1.00 0.00 N ATOM 448 CA ALA A 28 68.172 -17.052 -6.973 1.00 0.00 C ATOM 449 C ALA A 28 69.521 -17.713 -6.710 1.00 0.00 C ATOM 450 O ALA A 28 69.735 -18.871 -7.069 1.00 0.00 O ATOM 451 CB ALA A 28 68.205 -16.340 -8.326 1.00 0.00 C ATOM 0 H ALA A 28 68.659 -15.658 -5.481 1.00 0.00 H new ATOM 0 HA ALA A 28 67.401 -17.822 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.446 -17.058 -9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 28 67.230 -15.897 -8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.962 -15.556 -8.306 1.00 0.00 H new ATOM 457 N ASP A 29 70.430 -16.969 -6.086 1.00 0.00 N ATOM 458 CA ASP A 29 71.758 -17.495 -5.786 1.00 0.00 C ATOM 459 C ASP A 29 72.423 -18.016 -7.057 1.00 0.00 C ATOM 460 O ASP A 29 73.152 -19.006 -7.027 1.00 0.00 O ATOM 461 CB ASP A 29 71.653 -18.626 -4.761 1.00 0.00 C ATOM 462 CG ASP A 29 73.046 -19.042 -4.300 1.00 0.00 C ATOM 463 OD1 ASP A 29 73.999 -18.389 -4.692 1.00 0.00 O ATOM 464 OD2 ASP A 29 73.139 -20.008 -3.560 1.00 0.00 O ATOM 0 H ASP A 29 70.274 -16.008 -5.781 1.00 0.00 H new ATOM 0 HA ASP A 29 72.365 -16.689 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 29 71.060 -18.300 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 29 71.136 -19.479 -5.200 1.00 0.00 H new ATOM 469 N ASP A 30 72.168 -17.333 -8.168 1.00 0.00 N ATOM 470 CA ASP A 30 72.747 -17.722 -9.451 1.00 0.00 C ATOM 471 C ASP A 30 72.703 -16.557 -10.437 1.00 0.00 C ATOM 472 O ASP A 30 71.690 -15.868 -10.551 1.00 0.00 O ATOM 473 CB ASP A 30 71.981 -18.911 -10.036 1.00 0.00 C ATOM 474 CG ASP A 30 72.365 -20.194 -9.310 1.00 0.00 C ATOM 475 OD1 ASP A 30 73.506 -20.297 -8.891 1.00 0.00 O ATOM 476 OD2 ASP A 30 71.515 -21.061 -9.191 1.00 0.00 O ATOM 0 H ASP A 30 71.567 -16.510 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 30 73.786 -18.005 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 30 70.908 -18.741 -9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 30 72.201 -19.007 -11.099 1.00 0.00 H new ATOM 481 N THR A 31 73.804 -16.346 -11.153 1.00 0.00 N ATOM 482 CA THR A 31 73.870 -15.268 -12.131 1.00 0.00 C ATOM 483 C THR A 31 74.249 -15.816 -13.502 1.00 0.00 C ATOM 484 O THR A 31 75.230 -16.549 -13.636 1.00 0.00 O ATOM 485 CB THR A 31 74.905 -14.229 -11.695 1.00 0.00 C ATOM 486 OG1 THR A 31 74.531 -13.694 -10.433 1.00 0.00 O ATOM 487 CG2 THR A 31 74.977 -13.107 -12.731 1.00 0.00 C ATOM 0 H THR A 31 74.655 -16.903 -11.075 1.00 0.00 H new ATOM 0 HA THR A 31 72.888 -14.799 -12.194 1.00 0.00 H new ATOM 0 HB THR A 31 75.884 -14.702 -11.613 1.00 0.00 H new ATOM 0 HG1 THR A 31 74.722 -12.733 -10.416 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.715 -12.369 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.266 -13.521 -13.697 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.001 -12.630 -12.819 1.00 0.00 H new ATOM 495 N VAL A 32 73.474 -15.454 -14.519 1.00 0.00 N ATOM 496 CA VAL A 32 73.755 -15.920 -15.872 1.00 0.00 C ATOM 497 C VAL A 32 73.566 -14.793 -16.884 1.00 0.00 C ATOM 498 O VAL A 32 72.675 -13.956 -16.740 1.00 0.00 O ATOM 499 CB VAL A 32 72.840 -17.098 -16.225 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.109 -18.261 -15.267 1.00 0.00 C ATOM 501 CG2 VAL A 32 71.376 -16.669 -16.099 1.00 0.00 C ATOM 0 H VAL A 32 72.658 -14.848 -14.435 1.00 0.00 H new ATOM 0 HA VAL A 32 74.793 -16.249 -15.911 1.00 0.00 H new ATOM 0 HB VAL A 32 73.040 -17.413 -17.249 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.458 -19.098 -15.519 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.150 -18.572 -15.355 1.00 0.00 H new ATOM 0 HG13 VAL A 32 72.911 -17.943 -14.244 1.00 0.00 H new ATOM 0 HG21 VAL A 32 70.728 -17.509 -16.351 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.177 -16.351 -15.076 1.00 0.00 H new ATOM 0 HG23 VAL A 32 71.179 -15.842 -16.781 1.00 0.00 H new ATOM 511 N ILE A 33 74.411 -14.785 -17.907 1.00 0.00 N ATOM 512 CA ILE A 33 74.336 -13.763 -18.947 1.00 0.00 C ATOM 513 C ILE A 33 74.112 -14.408 -20.311 1.00 0.00 C ATOM 514 O ILE A 33 74.704 -15.440 -20.623 1.00 0.00 O ATOM 515 CB ILE A 33 75.631 -12.948 -18.966 1.00 0.00 C ATOM 516 CG1 ILE A 33 75.858 -12.327 -17.585 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.533 -11.833 -20.011 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.209 -11.609 -17.566 1.00 0.00 C ATOM 0 H ILE A 33 75.154 -15.471 -18.040 1.00 0.00 H new ATOM 0 HA ILE A 33 73.496 -13.103 -18.730 1.00 0.00 H new ATOM 0 HB ILE A 33 76.463 -13.605 -19.219 1.00 0.00 H new ATOM 0 HG12 ILE A 33 75.057 -11.625 -17.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 75.834 -13.101 -16.818 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.459 -11.258 -20.018 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.371 -12.271 -20.996 1.00 0.00 H new ATOM 0 HG23 ILE A 33 74.699 -11.175 -19.764 1.00 0.00 H new ATOM 0 HD11 ILE A 33 77.372 -11.166 -16.583 1.00 0.00 H new ATOM 0 HD12 ILE A 33 78.004 -12.324 -17.778 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.215 -10.825 -18.323 1.00 0.00 H new ATOM 530 N GLU A 34 73.258 -13.791 -21.124 1.00 0.00 N ATOM 531 CA GLU A 34 72.977 -14.318 -22.454 1.00 0.00 C ATOM 532 C GLU A 34 74.275 -14.519 -23.229 1.00 0.00 C ATOM 533 O GLU A 34 75.245 -13.788 -23.035 1.00 0.00 O ATOM 534 CB GLU A 34 72.067 -13.357 -23.221 1.00 0.00 C ATOM 535 CG GLU A 34 71.693 -13.977 -24.569 1.00 0.00 C ATOM 536 CD GLU A 34 70.865 -12.989 -25.383 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.640 -11.893 -24.898 1.00 0.00 O ATOM 538 OE2 GLU A 34 70.470 -13.342 -26.482 1.00 0.00 O ATOM 0 H GLU A 34 72.755 -12.936 -20.888 1.00 0.00 H new ATOM 0 HA GLU A 34 72.474 -15.279 -22.345 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.167 -13.150 -22.641 1.00 0.00 H new ATOM 0 HB3 GLU A 34 72.573 -12.404 -23.375 1.00 0.00 H new ATOM 0 HG2 GLU A 34 72.595 -14.247 -25.118 1.00 0.00 H new ATOM 0 HG3 GLU A 34 71.128 -14.896 -24.412 1.00 0.00 H new ATOM 545 N GLU A 35 74.288 -15.522 -24.100 1.00 0.00 N ATOM 546 CA GLU A 35 75.476 -15.816 -24.894 1.00 0.00 C ATOM 547 C GLU A 35 75.583 -14.866 -26.082 1.00 0.00 C ATOM 548 O GLU A 35 74.596 -14.594 -26.765 1.00 0.00 O ATOM 549 CB GLU A 35 75.421 -17.260 -25.396 1.00 0.00 C ATOM 550 CG GLU A 35 76.739 -17.614 -26.089 1.00 0.00 C ATOM 551 CD GLU A 35 77.872 -17.653 -25.068 1.00 0.00 C ATOM 552 OE1 GLU A 35 77.588 -17.888 -23.906 1.00 0.00 O ATOM 553 OE2 GLU A 35 79.007 -17.448 -25.466 1.00 0.00 O ATOM 0 H GLU A 35 73.496 -16.141 -24.274 1.00 0.00 H new ATOM 0 HA GLU A 35 76.353 -15.682 -24.261 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.243 -17.939 -24.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.589 -17.383 -26.090 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.651 -18.581 -26.584 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.961 -16.879 -26.863 1.00 0.00 H new ATOM 560 N MET A 36 76.793 -14.369 -26.324 1.00 0.00 N ATOM 561 CA MET A 36 77.031 -13.453 -27.434 1.00 0.00 C ATOM 562 C MET A 36 78.401 -13.713 -28.051 1.00 0.00 C ATOM 563 O MET A 36 78.506 -14.297 -29.129 1.00 0.00 O ATOM 564 CB MET A 36 76.956 -12.006 -26.943 1.00 0.00 C ATOM 565 CG MET A 36 75.523 -11.682 -26.518 1.00 0.00 C ATOM 566 SD MET A 36 75.410 -9.932 -26.069 1.00 0.00 S ATOM 567 CE MET A 36 73.685 -9.948 -25.523 1.00 0.00 C ATOM 0 H MET A 36 77.621 -14.585 -25.768 1.00 0.00 H new ATOM 0 HA MET A 36 76.264 -13.618 -28.191 1.00 0.00 H new ATOM 0 HB2 MET A 36 77.637 -11.860 -26.104 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.274 -11.326 -27.733 1.00 0.00 H new ATOM 0 HG2 MET A 36 74.832 -11.906 -27.330 1.00 0.00 H new ATOM 0 HG3 MET A 36 75.233 -12.305 -25.672 1.00 0.00 H new ATOM 0 HE1 MET A 36 73.398 -8.949 -25.196 1.00 0.00 H new ATOM 0 HE2 MET A 36 73.045 -10.257 -26.349 1.00 0.00 H new ATOM 0 HE3 MET A 36 73.572 -10.648 -24.695 1.00 0.00 H new ATOM 577 N SER A 37 79.447 -13.278 -27.356 1.00 0.00 N ATOM 578 CA SER A 37 80.808 -13.472 -27.842 1.00 0.00 C ATOM 579 C SER A 37 81.821 -12.966 -26.817 1.00 0.00 C ATOM 580 O SER A 37 81.979 -11.760 -26.632 1.00 0.00 O ATOM 581 CB SER A 37 80.997 -12.731 -29.166 1.00 0.00 C ATOM 582 OG SER A 37 80.442 -13.508 -30.220 1.00 0.00 O ATOM 0 H SER A 37 79.380 -12.793 -26.461 1.00 0.00 H new ATOM 0 HA SER A 37 80.973 -14.538 -27.998 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.512 -11.756 -29.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 82.057 -12.553 -29.349 1.00 0.00 H new ATOM 0 HG SER A 37 79.858 -14.199 -29.844 1.00 0.00 H new ATOM 588 N LEU A 38 82.500 -13.897 -26.149 1.00 0.00 N ATOM 589 CA LEU A 38 83.491 -13.535 -25.139 1.00 0.00 C ATOM 590 C LEU A 38 84.862 -14.106 -25.500 1.00 0.00 C ATOM 591 O LEU A 38 85.244 -15.173 -25.020 1.00 0.00 O ATOM 592 CB LEU A 38 83.062 -14.075 -23.771 1.00 0.00 C ATOM 593 CG LEU A 38 82.254 -13.011 -23.024 1.00 0.00 C ATOM 594 CD1 LEU A 38 80.948 -12.741 -23.769 1.00 0.00 C ATOM 595 CD2 LEU A 38 81.938 -13.515 -21.614 1.00 0.00 C ATOM 0 H LEU A 38 82.383 -14.901 -26.288 1.00 0.00 H new ATOM 0 HA LEU A 38 83.560 -12.448 -25.100 1.00 0.00 H new ATOM 0 HB2 LEU A 38 82.463 -14.977 -23.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 83.940 -14.354 -23.188 1.00 0.00 H new ATOM 0 HG LEU A 38 82.834 -12.090 -22.965 1.00 0.00 H new ATOM 0 HD11 LEU A 38 80.375 -11.983 -23.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 81.170 -12.386 -24.775 1.00 0.00 H new ATOM 0 HD13 LEU A 38 80.366 -13.661 -23.829 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.362 -12.760 -21.078 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.358 -14.436 -21.678 1.00 0.00 H new ATOM 0 HD23 LEU A 38 82.868 -13.709 -21.080 1.00 0.00 H new ATOM 607 N PRO A 39 85.600 -13.419 -26.332 1.00 0.00 N ATOM 608 CA PRO A 39 86.957 -13.865 -26.767 1.00 0.00 C ATOM 609 C PRO A 39 87.851 -14.237 -25.584 1.00 0.00 C ATOM 610 O PRO A 39 87.645 -13.767 -24.465 1.00 0.00 O ATOM 611 CB PRO A 39 87.520 -12.653 -27.513 1.00 0.00 C ATOM 612 CG PRO A 39 86.328 -11.879 -27.971 1.00 0.00 C ATOM 613 CD PRO A 39 85.222 -12.139 -26.950 1.00 0.00 C ATOM 0 HA PRO A 39 86.910 -14.765 -27.381 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.153 -12.050 -26.862 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.135 -12.963 -28.358 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.557 -10.815 -28.032 1.00 0.00 H new ATOM 0 HG3 PRO A 39 86.019 -12.196 -28.967 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.166 -11.340 -26.211 1.00 0.00 H new ATOM 0 HD3 PRO A 39 84.244 -12.200 -27.428 1.00 0.00 H new ATOM 621 N GLY A 40 88.846 -15.081 -25.845 1.00 0.00 N ATOM 622 CA GLY A 40 89.769 -15.507 -24.796 1.00 0.00 C ATOM 623 C GLY A 40 89.710 -17.017 -24.589 1.00 0.00 C ATOM 624 O GLY A 40 89.808 -17.789 -25.543 1.00 0.00 O ATOM 0 H GLY A 40 89.033 -15.480 -26.765 1.00 0.00 H new ATOM 0 HA2 GLY A 40 90.785 -15.213 -25.060 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.523 -15.000 -23.863 1.00 0.00 H new ATOM 628 N ARG A 41 89.548 -17.429 -23.336 1.00 0.00 N ATOM 629 CA ARG A 41 89.478 -18.849 -23.010 1.00 0.00 C ATOM 630 C ARG A 41 88.062 -19.225 -22.587 1.00 0.00 C ATOM 631 O ARG A 41 87.331 -18.401 -22.041 1.00 0.00 O ATOM 632 CB ARG A 41 90.457 -19.177 -21.880 1.00 0.00 C ATOM 633 CG ARG A 41 91.889 -18.907 -22.351 1.00 0.00 C ATOM 634 CD ARG A 41 92.877 -19.347 -21.269 1.00 0.00 C ATOM 635 NE ARG A 41 94.228 -18.917 -21.612 1.00 0.00 N ATOM 636 CZ ARG A 41 95.198 -18.904 -20.703 1.00 0.00 C ATOM 637 NH1 ARG A 41 94.951 -19.286 -19.480 1.00 0.00 N ATOM 638 NH2 ARG A 41 96.398 -18.513 -21.036 1.00 0.00 N ATOM 0 H ARG A 41 89.463 -16.804 -22.534 1.00 0.00 H new ATOM 0 HA ARG A 41 89.748 -19.423 -23.897 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.231 -18.572 -21.002 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.351 -20.221 -21.584 1.00 0.00 H new ATOM 0 HG2 ARG A 41 92.085 -19.446 -23.278 1.00 0.00 H new ATOM 0 HG3 ARG A 41 92.018 -17.846 -22.566 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.586 -18.923 -20.308 1.00 0.00 H new ATOM 0 HD3 ARG A 41 92.850 -20.431 -21.161 1.00 0.00 H new ATOM 0 HE ARG A 41 94.432 -18.621 -22.567 1.00 0.00 H new ATOM 0 HH11 ARG A 41 94.014 -19.595 -19.222 1.00 0.00 H new ATOM 0 HH12 ARG A 41 95.695 -19.276 -18.782 1.00 0.00 H new ATOM 0 HH21 ARG A 41 96.591 -18.218 -21.993 1.00 0.00 H new ATOM 0 HH22 ARG A 41 97.143 -18.503 -20.339 1.00 0.00 H new ATOM 652 N TRP A 42 87.677 -20.468 -22.853 1.00 0.00 N ATOM 653 CA TRP A 42 86.339 -20.931 -22.503 1.00 0.00 C ATOM 654 C TRP A 42 86.402 -22.170 -21.613 1.00 0.00 C ATOM 655 O TRP A 42 87.333 -22.970 -21.710 1.00 0.00 O ATOM 656 CB TRP A 42 85.559 -21.250 -23.780 1.00 0.00 C ATOM 657 CG TRP A 42 86.362 -22.176 -24.634 1.00 0.00 C ATOM 658 CD1 TRP A 42 87.545 -21.866 -25.213 1.00 0.00 C ATOM 659 CD2 TRP A 42 86.063 -23.548 -25.023 1.00 0.00 C ATOM 660 NE1 TRP A 42 87.993 -22.962 -25.927 1.00 0.00 N ATOM 661 CE2 TRP A 42 87.115 -24.023 -25.842 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.993 -24.419 -24.748 1.00 0.00 C ATOM 663 CZ2 TRP A 42 87.107 -25.315 -26.367 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.982 -25.721 -25.275 1.00 0.00 C ATOM 665 CH2 TRP A 42 86.037 -26.167 -26.083 1.00 0.00 C ATOM 0 H TRP A 42 88.266 -21.167 -23.305 1.00 0.00 H new ATOM 0 HA TRP A 42 85.834 -20.140 -21.949 1.00 0.00 H new ATOM 0 HB2 TRP A 42 84.601 -21.707 -23.530 1.00 0.00 H new ATOM 0 HB3 TRP A 42 85.341 -20.332 -24.325 1.00 0.00 H new ATOM 0 HD1 TRP A 42 88.056 -20.918 -25.131 1.00 0.00 H new ATOM 0 HE1 TRP A 42 88.867 -22.984 -26.453 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.175 -24.084 -24.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 87.922 -25.654 -26.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 84.156 -26.382 -25.056 1.00 0.00 H new ATOM 0 HH2 TRP A 42 86.023 -27.169 -26.486 1.00 0.00 H new ATOM 676 N LYS A 43 85.397 -22.324 -20.754 1.00 0.00 N ATOM 677 CA LYS A 43 85.336 -23.471 -19.855 1.00 0.00 C ATOM 678 C LYS A 43 84.021 -24.232 -20.068 1.00 0.00 C ATOM 679 O LYS A 43 82.953 -23.712 -19.741 1.00 0.00 O ATOM 680 CB LYS A 43 85.423 -22.998 -18.402 1.00 0.00 C ATOM 681 CG LYS A 43 86.538 -23.762 -17.684 1.00 0.00 C ATOM 682 CD LYS A 43 86.606 -23.319 -16.222 1.00 0.00 C ATOM 683 CE LYS A 43 87.903 -23.830 -15.592 1.00 0.00 C ATOM 684 NZ LYS A 43 87.802 -23.749 -14.108 1.00 0.00 N ATOM 0 H LYS A 43 84.618 -21.672 -20.662 1.00 0.00 H new ATOM 0 HA LYS A 43 86.174 -24.134 -20.070 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.621 -21.927 -18.368 1.00 0.00 H new ATOM 0 HB3 LYS A 43 84.471 -23.162 -17.897 1.00 0.00 H new ATOM 0 HG2 LYS A 43 86.352 -24.835 -17.741 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.493 -23.577 -18.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 86.562 -22.232 -16.158 1.00 0.00 H new ATOM 0 HD3 LYS A 43 85.747 -23.705 -15.674 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.087 -24.860 -15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 43 88.748 -23.237 -15.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 88.684 -24.097 -13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 87.646 -22.761 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 87.006 -24.333 -13.782 1.00 0.00 H new ATOM 698 N PRO A 44 84.054 -25.428 -20.618 1.00 0.00 N ATOM 699 CA PRO A 44 82.810 -26.209 -20.872 1.00 0.00 C ATOM 700 C PRO A 44 82.178 -26.754 -19.592 1.00 0.00 C ATOM 701 O PRO A 44 82.869 -27.264 -18.710 1.00 0.00 O ATOM 702 CB PRO A 44 83.261 -27.347 -21.790 1.00 0.00 C ATOM 703 CG PRO A 44 84.726 -27.507 -21.558 1.00 0.00 C ATOM 704 CD PRO A 44 85.257 -26.165 -21.047 1.00 0.00 C ATOM 0 HA PRO A 44 82.034 -25.584 -21.314 1.00 0.00 H new ATOM 0 HB2 PRO A 44 82.727 -28.269 -21.560 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.055 -27.111 -22.834 1.00 0.00 H new ATOM 0 HG2 PRO A 44 84.916 -28.297 -20.831 1.00 0.00 H new ATOM 0 HG3 PRO A 44 85.232 -27.794 -22.480 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.953 -26.303 -20.220 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.794 -25.627 -21.829 1.00 0.00 H new ATOM 712 N LYS A 45 80.855 -26.652 -19.514 1.00 0.00 N ATOM 713 CA LYS A 45 80.115 -27.147 -18.357 1.00 0.00 C ATOM 714 C LYS A 45 78.847 -27.854 -18.823 1.00 0.00 C ATOM 715 O LYS A 45 78.225 -27.439 -19.798 1.00 0.00 O ATOM 716 CB LYS A 45 79.752 -25.987 -17.423 1.00 0.00 C ATOM 717 CG LYS A 45 79.148 -26.534 -16.122 1.00 0.00 C ATOM 718 CD LYS A 45 80.264 -26.971 -15.167 1.00 0.00 C ATOM 719 CE LYS A 45 79.661 -27.348 -13.813 1.00 0.00 C ATOM 720 NZ LYS A 45 78.817 -26.226 -13.313 1.00 0.00 N ATOM 0 H LYS A 45 80.273 -26.231 -20.238 1.00 0.00 H new ATOM 0 HA LYS A 45 80.742 -27.852 -17.811 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.640 -25.395 -17.201 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.041 -25.323 -17.913 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.532 -25.770 -15.648 1.00 0.00 H new ATOM 0 HG3 LYS A 45 78.495 -27.379 -16.342 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.803 -27.821 -15.586 1.00 0.00 H new ATOM 0 HD3 LYS A 45 80.987 -26.165 -15.043 1.00 0.00 H new ATOM 0 HE2 LYS A 45 79.061 -28.253 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.454 -27.567 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.237 -25.836 -12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 78.765 -25.482 -14.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.860 -26.577 -13.107 1.00 0.00 H new ATOM 734 N MET A 46 78.465 -28.922 -18.129 1.00 0.00 N ATOM 735 CA MET A 46 77.265 -29.667 -18.501 1.00 0.00 C ATOM 736 C MET A 46 76.225 -29.602 -17.386 1.00 0.00 C ATOM 737 O MET A 46 76.238 -30.424 -16.469 1.00 0.00 O ATOM 738 CB MET A 46 77.629 -31.128 -18.775 1.00 0.00 C ATOM 739 CG MET A 46 76.441 -31.837 -19.426 1.00 0.00 C ATOM 740 SD MET A 46 76.809 -33.602 -19.597 1.00 0.00 S ATOM 741 CE MET A 46 76.733 -34.027 -17.839 1.00 0.00 C ATOM 0 H MET A 46 78.961 -29.288 -17.316 1.00 0.00 H new ATOM 0 HA MET A 46 76.843 -29.218 -19.401 1.00 0.00 H new ATOM 0 HB2 MET A 46 78.500 -31.180 -19.429 1.00 0.00 H new ATOM 0 HB3 MET A 46 77.898 -31.627 -17.844 1.00 0.00 H new ATOM 0 HG2 MET A 46 75.545 -31.699 -18.821 1.00 0.00 H new ATOM 0 HG3 MET A 46 76.235 -31.401 -20.404 1.00 0.00 H new ATOM 0 HE1 MET A 46 76.303 -35.022 -17.723 1.00 0.00 H new ATOM 0 HE2 MET A 46 77.738 -34.015 -17.418 1.00 0.00 H new ATOM 0 HE3 MET A 46 76.112 -33.300 -17.315 1.00 0.00 H new ATOM 751 N ILE A 47 75.322 -28.629 -17.470 1.00 0.00 N ATOM 752 CA ILE A 47 74.281 -28.485 -16.455 1.00 0.00 C ATOM 753 C ILE A 47 73.048 -27.771 -17.007 1.00 0.00 C ATOM 754 O ILE A 47 73.159 -26.840 -17.805 1.00 0.00 O ATOM 755 CB ILE A 47 74.824 -27.699 -15.258 1.00 0.00 C ATOM 756 CG1 ILE A 47 75.365 -26.349 -15.738 1.00 0.00 C ATOM 757 CG2 ILE A 47 75.946 -28.490 -14.584 1.00 0.00 C ATOM 758 CD1 ILE A 47 75.711 -25.476 -14.529 1.00 0.00 C ATOM 0 H ILE A 47 75.288 -27.937 -18.219 1.00 0.00 H new ATOM 0 HA ILE A 47 73.986 -29.487 -16.143 1.00 0.00 H new ATOM 0 HB ILE A 47 74.020 -27.536 -14.540 1.00 0.00 H new ATOM 0 HG12 ILE A 47 76.250 -26.499 -16.356 1.00 0.00 H new ATOM 0 HG13 ILE A 47 74.623 -25.849 -16.360 1.00 0.00 H new ATOM 0 HG21 ILE A 47 76.328 -27.926 -13.733 1.00 0.00 H new ATOM 0 HG22 ILE A 47 75.559 -29.449 -14.239 1.00 0.00 H new ATOM 0 HG23 ILE A 47 76.752 -28.660 -15.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 76.096 -24.516 -14.872 1.00 0.00 H new ATOM 0 HD12 ILE A 47 74.816 -25.315 -13.929 1.00 0.00 H new ATOM 0 HD13 ILE A 47 76.468 -25.975 -13.924 1.00 0.00 H new ATOM 770 N GLY A 48 71.872 -28.218 -16.575 1.00 0.00 N ATOM 771 CA GLY A 48 70.619 -27.615 -17.024 1.00 0.00 C ATOM 772 C GLY A 48 69.518 -27.832 -15.992 1.00 0.00 C ATOM 773 O GLY A 48 69.202 -26.936 -15.208 1.00 0.00 O ATOM 0 H GLY A 48 71.760 -28.991 -15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 48 70.763 -26.548 -17.191 1.00 0.00 H new ATOM 0 HA3 GLY A 48 70.321 -28.050 -17.978 1.00 0.00 H new ATOM 777 N GLY A 49 68.936 -29.026 -15.997 1.00 0.00 N ATOM 778 CA GLY A 49 67.870 -29.353 -15.056 1.00 0.00 C ATOM 779 C GLY A 49 66.506 -29.322 -15.737 1.00 0.00 C ATOM 780 O GLY A 49 65.621 -30.112 -15.407 1.00 0.00 O ATOM 0 H GLY A 49 69.182 -29.780 -16.638 1.00 0.00 H new ATOM 0 HA2 GLY A 49 68.046 -30.342 -14.632 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.882 -28.645 -14.228 1.00 0.00 H new ATOM 784 N ILE A 50 66.343 -28.415 -16.693 1.00 0.00 N ATOM 785 CA ILE A 50 65.080 -28.306 -17.416 1.00 0.00 C ATOM 786 C ILE A 50 65.298 -28.595 -18.897 1.00 0.00 C ATOM 787 O ILE A 50 66.156 -27.986 -19.537 1.00 0.00 O ATOM 788 CB ILE A 50 64.499 -26.901 -17.241 1.00 0.00 C ATOM 789 CG1 ILE A 50 64.403 -26.576 -15.749 1.00 0.00 C ATOM 790 CG2 ILE A 50 63.098 -26.840 -17.857 1.00 0.00 C ATOM 791 CD1 ILE A 50 63.909 -25.138 -15.569 1.00 0.00 C ATOM 0 H ILE A 50 67.060 -27.751 -16.984 1.00 0.00 H new ATOM 0 HA ILE A 50 64.378 -29.036 -17.012 1.00 0.00 H new ATOM 0 HB ILE A 50 65.147 -26.179 -17.738 1.00 0.00 H new ATOM 0 HG12 ILE A 50 63.721 -27.270 -15.258 1.00 0.00 H new ATOM 0 HG13 ILE A 50 65.377 -26.699 -15.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 62.688 -25.838 -17.730 1.00 0.00 H new ATOM 0 HG22 ILE A 50 63.157 -27.076 -18.919 1.00 0.00 H new ATOM 0 HG23 ILE A 50 62.450 -27.562 -17.360 1.00 0.00 H new ATOM 0 HD11 ILE A 50 63.841 -24.907 -14.506 1.00 0.00 H new ATOM 0 HD12 ILE A 50 64.608 -24.451 -16.045 1.00 0.00 H new ATOM 0 HD13 ILE A 50 62.926 -25.031 -16.027 1.00 0.00 H new ATOM 803 N GLY A 51 64.524 -29.529 -19.435 1.00 0.00 N ATOM 804 CA GLY A 51 64.651 -29.891 -20.841 1.00 0.00 C ATOM 805 C GLY A 51 65.939 -30.673 -21.070 1.00 0.00 C ATOM 806 O GLY A 51 66.402 -30.815 -22.203 1.00 0.00 O ATOM 0 H GLY A 51 63.808 -30.046 -18.925 1.00 0.00 H new ATOM 0 HA2 GLY A 51 63.794 -30.490 -21.148 1.00 0.00 H new ATOM 0 HA3 GLY A 51 64.649 -28.992 -21.457 1.00 0.00 H new ATOM 810 N GLY A 52 66.515 -31.170 -19.981 1.00 0.00 N ATOM 811 CA GLY A 52 67.754 -31.932 -20.055 1.00 0.00 C ATOM 812 C GLY A 52 68.962 -31.020 -19.860 1.00 0.00 C ATOM 813 O GLY A 52 68.885 -29.815 -20.099 1.00 0.00 O ATOM 0 H GLY A 52 66.143 -31.059 -19.038 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.754 -32.711 -19.292 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.822 -32.432 -21.021 1.00 0.00 H new ATOM 817 N PHE A 53 70.072 -31.601 -19.420 1.00 0.00 N ATOM 818 CA PHE A 53 71.289 -30.830 -19.190 1.00 0.00 C ATOM 819 C PHE A 53 71.683 -30.052 -20.443 1.00 0.00 C ATOM 820 O PHE A 53 71.563 -30.556 -21.559 1.00 0.00 O ATOM 821 CB PHE A 53 72.430 -31.768 -18.794 1.00 0.00 C ATOM 822 CG PHE A 53 72.638 -32.795 -19.881 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.937 -34.006 -19.845 1.00 0.00 C ATOM 824 CD2 PHE A 53 73.532 -32.534 -20.926 1.00 0.00 C ATOM 825 CE1 PHE A 53 72.131 -34.957 -20.854 1.00 0.00 C ATOM 826 CE2 PHE A 53 73.726 -33.485 -21.934 1.00 0.00 C ATOM 827 CZ PHE A 53 73.027 -34.696 -21.899 1.00 0.00 C ATOM 0 H PHE A 53 70.155 -32.597 -19.216 1.00 0.00 H new ATOM 0 HA PHE A 53 71.098 -30.122 -18.384 1.00 0.00 H new ATOM 0 HB2 PHE A 53 73.346 -31.198 -18.637 1.00 0.00 H new ATOM 0 HB3 PHE A 53 72.197 -32.263 -17.851 1.00 0.00 H new ATOM 0 HD1 PHE A 53 71.247 -34.207 -19.039 1.00 0.00 H new ATOM 0 HD2 PHE A 53 74.072 -31.599 -20.954 1.00 0.00 H new ATOM 0 HE1 PHE A 53 71.590 -35.891 -20.827 1.00 0.00 H new ATOM 0 HE2 PHE A 53 74.416 -33.284 -22.740 1.00 0.00 H new ATOM 0 HZ PHE A 53 73.178 -35.430 -22.677 1.00 0.00 H new ATOM 837 N ILE A 54 72.157 -28.823 -20.251 1.00 0.00 N ATOM 838 CA ILE A 54 72.571 -27.986 -21.372 1.00 0.00 C ATOM 839 C ILE A 54 74.030 -27.575 -21.210 1.00 0.00 C ATOM 840 O ILE A 54 74.504 -27.378 -20.091 1.00 0.00 O ATOM 841 CB ILE A 54 71.688 -26.741 -21.455 1.00 0.00 C ATOM 842 CG1 ILE A 54 72.161 -25.859 -22.610 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.784 -25.959 -20.146 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.988 -25.028 -23.134 1.00 0.00 C ATOM 0 H ILE A 54 72.263 -28.387 -19.335 1.00 0.00 H new ATOM 0 HA ILE A 54 72.464 -28.559 -22.293 1.00 0.00 H new ATOM 0 HB ILE A 54 70.654 -27.040 -21.624 1.00 0.00 H new ATOM 0 HG12 ILE A 54 72.964 -25.203 -22.275 1.00 0.00 H new ATOM 0 HG13 ILE A 54 72.568 -26.477 -23.410 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.154 -25.071 -20.205 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.448 -26.588 -19.321 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.818 -25.659 -19.976 1.00 0.00 H new ATOM 0 HD11 ILE A 54 71.327 -24.399 -23.958 1.00 0.00 H new ATOM 0 HD12 ILE A 54 70.199 -25.693 -23.486 1.00 0.00 H new ATOM 0 HD13 ILE A 54 70.601 -24.399 -22.333 1.00 0.00 H new ATOM 856 N LYS A 55 74.745 -27.451 -22.326 1.00 0.00 N ATOM 857 CA LYS A 55 76.151 -27.068 -22.274 1.00 0.00 C ATOM 858 C LYS A 55 76.311 -25.550 -22.309 1.00 0.00 C ATOM 859 O LYS A 55 75.875 -24.892 -23.253 1.00 0.00 O ATOM 860 CB LYS A 55 76.905 -27.682 -23.455 1.00 0.00 C ATOM 861 CG LYS A 55 78.405 -27.416 -23.299 1.00 0.00 C ATOM 862 CD LYS A 55 79.148 -27.948 -24.526 1.00 0.00 C ATOM 863 CE LYS A 55 80.657 -27.817 -24.306 1.00 0.00 C ATOM 864 NZ LYS A 55 81.381 -28.346 -25.497 1.00 0.00 N ATOM 0 H LYS A 55 74.379 -27.608 -23.265 1.00 0.00 H new ATOM 0 HA LYS A 55 76.565 -27.441 -21.337 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.718 -28.755 -23.501 1.00 0.00 H new ATOM 0 HB3 LYS A 55 76.545 -27.255 -24.391 1.00 0.00 H new ATOM 0 HG2 LYS A 55 78.586 -26.347 -23.186 1.00 0.00 H new ATOM 0 HG3 LYS A 55 78.779 -27.899 -22.396 1.00 0.00 H new ATOM 0 HD2 LYS A 55 78.884 -28.991 -24.700 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.850 -27.392 -25.415 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.922 -26.773 -24.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 80.954 -28.367 -23.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.406 -28.257 -25.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 81.137 -29.347 -25.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 81.106 -27.803 -26.340 1.00 0.00 H new ATOM 878 N VAL A 56 76.941 -25.004 -21.272 1.00 0.00 N ATOM 879 CA VAL A 56 77.157 -23.564 -21.190 1.00 0.00 C ATOM 880 C VAL A 56 78.633 -23.265 -20.948 1.00 0.00 C ATOM 881 O VAL A 56 79.403 -24.157 -20.584 1.00 0.00 O ATOM 882 CB VAL A 56 76.322 -22.972 -20.054 1.00 0.00 C ATOM 883 CG1 VAL A 56 74.843 -23.278 -20.296 1.00 0.00 C ATOM 884 CG2 VAL A 56 76.759 -23.594 -18.726 1.00 0.00 C ATOM 0 H VAL A 56 77.309 -25.534 -20.482 1.00 0.00 H new ATOM 0 HA VAL A 56 76.852 -23.113 -22.134 1.00 0.00 H new ATOM 0 HB VAL A 56 76.469 -21.893 -20.018 1.00 0.00 H new ATOM 0 HG11 VAL A 56 74.247 -22.856 -19.487 1.00 0.00 H new ATOM 0 HG12 VAL A 56 74.531 -22.839 -21.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 74.696 -24.357 -20.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 76.165 -23.174 -17.914 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.610 -24.673 -18.763 1.00 0.00 H new ATOM 0 HG23 VAL A 56 77.813 -23.379 -18.553 1.00 0.00 H new ATOM 894 N ARG A 57 79.026 -22.011 -21.153 1.00 0.00 N ATOM 895 CA ARG A 57 80.416 -21.618 -20.955 1.00 0.00 C ATOM 896 C ARG A 57 80.564 -20.803 -19.676 1.00 0.00 C ATOM 897 O ARG A 57 79.756 -19.917 -19.397 1.00 0.00 O ATOM 898 CB ARG A 57 80.900 -20.797 -22.150 1.00 0.00 C ATOM 899 CG ARG A 57 82.378 -20.451 -21.968 1.00 0.00 C ATOM 900 CD ARG A 57 82.848 -19.599 -23.146 1.00 0.00 C ATOM 901 NE ARG A 57 82.788 -20.372 -24.380 1.00 0.00 N ATOM 902 CZ ARG A 57 82.844 -19.778 -25.568 1.00 0.00 C ATOM 903 NH1 ARG A 57 82.948 -18.480 -25.646 1.00 0.00 N ATOM 904 NH2 ARG A 57 82.791 -20.495 -26.657 1.00 0.00 N ATOM 0 H ARG A 57 78.408 -21.257 -21.453 1.00 0.00 H new ATOM 0 HA ARG A 57 81.022 -22.520 -20.867 1.00 0.00 H new ATOM 0 HB2 ARG A 57 80.759 -21.360 -23.072 1.00 0.00 H new ATOM 0 HB3 ARG A 57 80.311 -19.885 -22.240 1.00 0.00 H new ATOM 0 HG2 ARG A 57 82.524 -19.910 -21.033 1.00 0.00 H new ATOM 0 HG3 ARG A 57 82.971 -21.363 -21.905 1.00 0.00 H new ATOM 0 HD2 ARG A 57 82.223 -18.710 -23.234 1.00 0.00 H new ATOM 0 HD3 ARG A 57 83.868 -19.256 -22.972 1.00 0.00 H new ATOM 0 HE ARG A 57 82.701 -21.387 -24.331 1.00 0.00 H new ATOM 0 HH11 ARG A 57 82.986 -17.919 -24.795 1.00 0.00 H new ATOM 0 HH12 ARG A 57 82.991 -18.026 -26.558 1.00 0.00 H new ATOM 0 HH21 ARG A 57 82.707 -21.510 -26.596 1.00 0.00 H new ATOM 0 HH22 ARG A 57 82.834 -20.041 -27.569 1.00 0.00 H new ATOM 918 N GLN A 58 81.593 -21.115 -18.893 1.00 0.00 N ATOM 919 CA GLN A 58 81.820 -20.406 -17.639 1.00 0.00 C ATOM 920 C GLN A 58 83.069 -19.531 -17.724 1.00 0.00 C ATOM 921 O GLN A 58 84.147 -20.005 -18.084 1.00 0.00 O ATOM 922 CB GLN A 58 81.967 -21.412 -16.495 1.00 0.00 C ATOM 923 CG GLN A 58 81.944 -20.672 -15.157 1.00 0.00 C ATOM 924 CD GLN A 58 81.983 -21.673 -14.008 1.00 0.00 C ATOM 925 OE1 GLN A 58 82.046 -22.881 -14.238 1.00 0.00 O ATOM 926 NE2 GLN A 58 81.936 -21.243 -12.776 1.00 0.00 N ATOM 0 H GLN A 58 82.275 -21.845 -19.101 1.00 0.00 H new ATOM 0 HA GLN A 58 80.962 -19.761 -17.449 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.158 -22.142 -16.533 1.00 0.00 H new ATOM 0 HB3 GLN A 58 82.900 -21.965 -16.601 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.797 -19.996 -15.091 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.045 -20.059 -15.086 1.00 0.00 H new ATOM 0 HE21 GLN A 58 81.884 -20.242 -12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.951 -21.908 -12.003 1.00 0.00 H new ATOM 935 N TYR A 59 82.915 -18.251 -17.388 1.00 0.00 N ATOM 936 CA TYR A 59 84.040 -17.322 -17.433 1.00 0.00 C ATOM 937 C TYR A 59 84.409 -16.840 -16.031 1.00 0.00 C ATOM 938 O TYR A 59 83.562 -16.330 -15.297 1.00 0.00 O ATOM 939 CB TYR A 59 83.684 -16.118 -18.308 1.00 0.00 C ATOM 940 CG TYR A 59 84.317 -16.274 -19.670 1.00 0.00 C ATOM 941 CD1 TYR A 59 85.704 -16.153 -19.812 1.00 0.00 C ATOM 942 CD2 TYR A 59 83.518 -16.534 -20.790 1.00 0.00 C ATOM 943 CE1 TYR A 59 86.294 -16.290 -21.073 1.00 0.00 C ATOM 944 CE2 TYR A 59 84.109 -16.672 -22.052 1.00 0.00 C ATOM 945 CZ TYR A 59 85.497 -16.550 -22.194 1.00 0.00 C ATOM 946 OH TYR A 59 86.080 -16.684 -23.437 1.00 0.00 O ATOM 0 H TYR A 59 82.033 -17.838 -17.085 1.00 0.00 H new ATOM 0 HA TYR A 59 84.897 -17.846 -17.857 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.602 -16.035 -18.407 1.00 0.00 H new ATOM 0 HB3 TYR A 59 84.032 -15.199 -17.838 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.319 -15.954 -18.947 1.00 0.00 H new ATOM 0 HD2 TYR A 59 82.448 -16.628 -20.681 1.00 0.00 H new ATOM 0 HE1 TYR A 59 87.364 -16.195 -21.182 1.00 0.00 H new ATOM 0 HE2 TYR A 59 83.494 -16.873 -22.917 1.00 0.00 H new ATOM 0 HH TYR A 59 86.101 -15.812 -23.884 1.00 0.00 H new ATOM 956 N ASP A 60 85.678 -17.007 -15.667 1.00 0.00 N ATOM 957 CA ASP A 60 86.153 -16.585 -14.353 1.00 0.00 C ATOM 958 C ASP A 60 87.203 -15.486 -14.485 1.00 0.00 C ATOM 959 O ASP A 60 87.743 -15.256 -15.567 1.00 0.00 O ATOM 960 CB ASP A 60 86.752 -17.778 -13.606 1.00 0.00 C ATOM 961 CG ASP A 60 85.667 -18.809 -13.315 1.00 0.00 C ATOM 962 OD1 ASP A 60 84.504 -18.480 -13.482 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.014 -19.913 -12.931 1.00 0.00 O ATOM 0 H ASP A 60 86.392 -17.429 -16.260 1.00 0.00 H new ATOM 0 HA ASP A 60 85.305 -16.193 -13.792 1.00 0.00 H new ATOM 0 HB2 ASP A 60 87.544 -18.230 -14.202 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.206 -17.443 -12.674 1.00 0.00 H new ATOM 968 N GLN A 61 87.491 -14.812 -13.375 1.00 0.00 N ATOM 969 CA GLN A 61 88.482 -13.740 -13.371 1.00 0.00 C ATOM 970 C GLN A 61 87.991 -12.562 -14.210 1.00 0.00 C ATOM 971 O GLN A 61 88.782 -11.863 -14.843 1.00 0.00 O ATOM 972 CB GLN A 61 89.814 -14.258 -13.927 1.00 0.00 C ATOM 973 CG GLN A 61 90.953 -13.326 -13.499 1.00 0.00 C ATOM 974 CD GLN A 61 92.287 -13.861 -14.012 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.350 -14.975 -14.529 1.00 0.00 O ATOM 976 NE2 GLN A 61 93.362 -13.127 -13.900 1.00 0.00 N ATOM 0 H GLN A 61 87.054 -14.988 -12.470 1.00 0.00 H new ATOM 0 HA GLN A 61 88.630 -13.403 -12.345 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.002 -15.268 -13.563 1.00 0.00 H new ATOM 0 HB3 GLN A 61 89.767 -14.314 -15.015 1.00 0.00 H new ATOM 0 HG2 GLN A 61 90.780 -12.323 -13.890 1.00 0.00 H new ATOM 0 HG3 GLN A 61 90.978 -13.245 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 61 93.306 -12.203 -13.471 1.00 0.00 H new ATOM 0 HE22 GLN A 61 94.257 -13.478 -14.242 1.00 0.00 H new ATOM 985 N ILE A 62 86.681 -12.344 -14.203 1.00 0.00 N ATOM 986 CA ILE A 62 86.094 -11.245 -14.961 1.00 0.00 C ATOM 987 C ILE A 62 85.466 -10.225 -14.016 1.00 0.00 C ATOM 988 O ILE A 62 84.858 -10.592 -13.008 1.00 0.00 O ATOM 989 CB ILE A 62 85.025 -11.771 -15.922 1.00 0.00 C ATOM 990 CG1 ILE A 62 85.614 -12.873 -16.810 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.529 -10.624 -16.804 1.00 0.00 C ATOM 992 CD1 ILE A 62 86.909 -12.383 -17.464 1.00 0.00 C ATOM 0 H ILE A 62 86.009 -12.909 -13.685 1.00 0.00 H new ATOM 0 HA ILE A 62 86.887 -10.765 -15.534 1.00 0.00 H new ATOM 0 HB ILE A 62 84.196 -12.181 -15.345 1.00 0.00 H new ATOM 0 HG12 ILE A 62 85.812 -13.764 -16.214 1.00 0.00 H new ATOM 0 HG13 ILE A 62 84.894 -13.156 -17.578 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.767 -10.995 -17.490 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.102 -9.841 -16.177 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.364 -10.217 -17.375 1.00 0.00 H new ATOM 0 HD11 ILE A 62 87.320 -13.173 -18.093 1.00 0.00 H new ATOM 0 HD12 ILE A 62 86.699 -11.505 -18.075 1.00 0.00 H new ATOM 0 HD13 ILE A 62 87.631 -12.122 -16.690 1.00 0.00 H new ATOM 1004 N ILE A 63 85.622 -8.947 -14.342 1.00 0.00 N ATOM 1005 CA ILE A 63 85.074 -7.888 -13.511 1.00 0.00 C ATOM 1006 C ILE A 63 83.917 -7.186 -14.217 1.00 0.00 C ATOM 1007 O ILE A 63 83.911 -7.051 -15.441 1.00 0.00 O ATOM 1008 CB ILE A 63 86.175 -6.877 -13.189 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.676 -6.221 -14.483 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.337 -7.593 -12.500 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.666 -5.103 -14.142 1.00 0.00 C ATOM 0 H ILE A 63 86.120 -8.623 -15.171 1.00 0.00 H new ATOM 0 HA ILE A 63 84.694 -8.327 -12.589 1.00 0.00 H new ATOM 0 HB ILE A 63 85.774 -6.108 -12.529 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.157 -6.965 -15.118 1.00 0.00 H new ATOM 0 HG13 ILE A 63 85.835 -5.817 -15.047 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.123 -6.873 -12.270 1.00 0.00 H new ATOM 0 HG22 ILE A 63 86.985 -8.053 -11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 63 87.733 -8.364 -13.161 1.00 0.00 H new ATOM 0 HD11 ILE A 63 88.021 -4.638 -15.062 1.00 0.00 H new ATOM 0 HD12 ILE A 63 87.170 -4.354 -13.525 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.512 -5.520 -13.596 1.00 0.00 H new ATOM 1023 N ILE A 64 82.950 -6.727 -13.431 1.00 0.00 N ATOM 1024 CA ILE A 64 81.797 -6.022 -13.982 1.00 0.00 C ATOM 1025 C ILE A 64 81.582 -4.708 -13.241 1.00 0.00 C ATOM 1026 O ILE A 64 81.994 -4.562 -12.090 1.00 0.00 O ATOM 1027 CB ILE A 64 80.539 -6.892 -13.876 1.00 0.00 C ATOM 1028 CG1 ILE A 64 80.199 -7.149 -12.402 1.00 0.00 C ATOM 1029 CG2 ILE A 64 80.782 -8.228 -14.580 1.00 0.00 C ATOM 1030 CD1 ILE A 64 78.882 -7.923 -12.308 1.00 0.00 C ATOM 0 H ILE A 64 82.940 -6.829 -12.416 1.00 0.00 H new ATOM 0 HA ILE A 64 81.990 -5.810 -15.034 1.00 0.00 H new ATOM 0 HB ILE A 64 79.707 -6.372 -14.350 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.000 -7.715 -11.927 1.00 0.00 H new ATOM 0 HG13 ILE A 64 80.116 -6.203 -11.867 1.00 0.00 H new ATOM 0 HG21 ILE A 64 79.888 -8.847 -14.505 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.012 -8.049 -15.630 1.00 0.00 H new ATOM 0 HG23 ILE A 64 81.619 -8.741 -14.107 1.00 0.00 H new ATOM 0 HD11 ILE A 64 78.641 -8.105 -11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 64 78.084 -7.340 -12.768 1.00 0.00 H new ATOM 0 HD13 ILE A 64 78.982 -8.876 -12.828 1.00 0.00 H new ATOM 1042 N GLU A 65 80.924 -3.757 -13.896 1.00 0.00 N ATOM 1043 CA GLU A 65 80.654 -2.471 -13.267 1.00 0.00 C ATOM 1044 C GLU A 65 79.153 -2.281 -13.077 1.00 0.00 C ATOM 1045 O GLU A 65 78.377 -2.395 -14.027 1.00 0.00 O ATOM 1046 CB GLU A 65 81.213 -1.334 -14.124 1.00 0.00 C ATOM 1047 CG GLU A 65 81.031 -0.004 -13.389 1.00 0.00 C ATOM 1048 CD GLU A 65 81.495 1.149 -14.276 1.00 0.00 C ATOM 1049 OE1 GLU A 65 81.913 0.881 -15.391 1.00 0.00 O ATOM 1050 OE2 GLU A 65 81.424 2.281 -13.828 1.00 0.00 O ATOM 0 H GLU A 65 80.572 -3.850 -14.849 1.00 0.00 H new ATOM 0 HA GLU A 65 81.141 -2.454 -12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 65 82.269 -1.506 -14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 80.701 -1.303 -15.086 1.00 0.00 H new ATOM 0 HG2 GLU A 65 79.984 0.132 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 65 81.601 -0.011 -12.460 1.00 0.00 H new ATOM 1057 N ILE A 66 78.758 -1.982 -11.844 1.00 0.00 N ATOM 1058 CA ILE A 66 77.350 -1.768 -11.532 1.00 0.00 C ATOM 1059 C ILE A 66 77.156 -0.413 -10.862 1.00 0.00 C ATOM 1060 O ILE A 66 77.788 -0.119 -9.848 1.00 0.00 O ATOM 1061 CB ILE A 66 76.845 -2.873 -10.601 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.079 -4.237 -11.257 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.349 -2.678 -10.349 1.00 0.00 C ATOM 1064 CD1 ILE A 66 76.745 -5.350 -10.261 1.00 0.00 C ATOM 0 H ILE A 66 79.389 -1.883 -11.049 1.00 0.00 H new ATOM 0 HA ILE A 66 76.783 -1.791 -12.462 1.00 0.00 H new ATOM 0 HB ILE A 66 77.383 -2.828 -9.654 1.00 0.00 H new ATOM 0 HG12 ILE A 66 76.459 -4.334 -12.148 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.117 -4.323 -11.580 1.00 0.00 H new ATOM 0 HG21 ILE A 66 74.986 -3.464 -9.686 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.182 -1.706 -9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 66 74.811 -2.725 -11.296 1.00 0.00 H new ATOM 0 HD11 ILE A 66 76.912 -6.320 -10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 66 77.384 -5.256 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 66 75.701 -5.268 -9.960 1.00 0.00 H new ATOM 1076 N ALA A 67 76.281 0.409 -11.432 1.00 0.00 N ATOM 1077 CA ALA A 67 76.021 1.730 -10.874 1.00 0.00 C ATOM 1078 C ALA A 67 77.286 2.582 -10.905 1.00 0.00 C ATOM 1079 O ALA A 67 77.343 3.601 -11.595 1.00 0.00 O ATOM 1080 CB ALA A 67 75.526 1.599 -9.432 1.00 0.00 C ATOM 0 H ALA A 67 75.745 0.187 -12.271 1.00 0.00 H new ATOM 0 HA ALA A 67 75.255 2.216 -11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.334 2.590 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.606 1.015 -9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.285 1.098 -8.831 1.00 0.00 H new ATOM 1086 N GLY A 68 78.298 2.157 -10.156 1.00 0.00 N ATOM 1087 CA GLY A 68 79.560 2.889 -10.111 1.00 0.00 C ATOM 1088 C GLY A 68 80.604 2.156 -9.270 1.00 0.00 C ATOM 1089 O GLY A 68 81.579 2.760 -8.820 1.00 0.00 O ATOM 0 H GLY A 68 78.271 1.318 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 68 79.938 3.026 -11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.391 3.883 -9.697 1.00 0.00 H new ATOM 1093 N HIS A 69 80.401 0.858 -9.059 1.00 0.00 N ATOM 1094 CA HIS A 69 81.340 0.070 -8.270 1.00 0.00 C ATOM 1095 C HIS A 69 81.802 -1.152 -9.059 1.00 0.00 C ATOM 1096 O HIS A 69 81.000 -1.810 -9.724 1.00 0.00 O ATOM 1097 CB HIS A 69 80.675 -0.382 -6.969 1.00 0.00 C ATOM 1098 CG HIS A 69 81.684 -1.083 -6.103 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.765 -0.419 -5.546 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.788 -2.387 -5.686 1.00 0.00 C ATOM 1101 CE1 HIS A 69 83.467 -1.317 -4.830 1.00 0.00 C ATOM 1102 NE2 HIS A 69 82.914 -2.532 -4.881 1.00 0.00 N ATOM 0 H HIS A 69 79.603 0.335 -9.420 1.00 0.00 H new ATOM 0 HA HIS A 69 82.206 0.690 -8.038 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.263 0.478 -6.441 1.00 0.00 H new ATOM 0 HB3 HIS A 69 79.842 -1.050 -7.188 1.00 0.00 H new ATOM 0 HD2 HIS A 69 81.101 -3.179 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 69 84.367 -1.084 -4.281 1.00 0.00 H new ATOM 0 HE2 HIS A 69 83.246 -3.383 -4.427 1.00 0.00 H new ATOM 1111 N LYS A 70 83.094 -1.453 -8.982 1.00 0.00 N ATOM 1112 CA LYS A 70 83.644 -2.598 -9.697 1.00 0.00 C ATOM 1113 C LYS A 70 83.781 -3.802 -8.771 1.00 0.00 C ATOM 1114 O LYS A 70 84.076 -3.657 -7.584 1.00 0.00 O ATOM 1115 CB LYS A 70 85.014 -2.249 -10.281 1.00 0.00 C ATOM 1116 CG LYS A 70 84.857 -1.159 -11.343 1.00 0.00 C ATOM 1117 CD LYS A 70 86.209 -0.896 -12.007 1.00 0.00 C ATOM 1118 CE LYS A 70 86.073 0.249 -13.013 1.00 0.00 C ATOM 1119 NZ LYS A 70 87.394 0.508 -13.654 1.00 0.00 N ATOM 0 H LYS A 70 83.775 -0.925 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 70 82.958 -2.851 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.681 -1.907 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 70 85.470 -3.136 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 70 84.126 -1.467 -12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 70 84.480 -0.244 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 70 86.953 -0.643 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 70 86.559 -1.797 -12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 70 85.333 -0.005 -13.771 1.00 0.00 H new ATOM 0 HE3 LYS A 70 85.718 1.149 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 87.301 1.286 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 88.089 0.768 -12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.715 -0.350 -14.147 1.00 0.00 H new ATOM 1133 N ALA A 71 83.571 -4.990 -9.326 1.00 0.00 N ATOM 1134 CA ALA A 71 83.680 -6.220 -8.549 1.00 0.00 C ATOM 1135 C ALA A 71 84.217 -7.349 -9.420 1.00 0.00 C ATOM 1136 O ALA A 71 83.989 -7.372 -10.628 1.00 0.00 O ATOM 1137 CB ALA A 71 82.309 -6.607 -7.991 1.00 0.00 C ATOM 0 H ALA A 71 83.325 -5.128 -10.306 1.00 0.00 H new ATOM 0 HA ALA A 71 84.371 -6.051 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.398 -7.526 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.939 -5.808 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.612 -6.763 -8.814 1.00 0.00 H new ATOM 1143 N ILE A 72 84.930 -8.285 -8.802 1.00 0.00 N ATOM 1144 CA ILE A 72 85.490 -9.410 -9.543 1.00 0.00 C ATOM 1145 C ILE A 72 84.981 -10.730 -8.980 1.00 0.00 C ATOM 1146 O ILE A 72 84.961 -10.933 -7.766 1.00 0.00 O ATOM 1147 CB ILE A 72 87.021 -9.379 -9.480 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.583 -10.542 -10.301 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.487 -9.517 -8.028 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.050 -10.271 -10.636 1.00 0.00 C ATOM 0 H ILE A 72 85.132 -8.288 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 72 85.172 -9.325 -10.582 1.00 0.00 H new ATOM 0 HB ILE A 72 87.378 -8.431 -9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.493 -11.473 -9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.007 -10.665 -11.218 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.576 -9.494 -7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.087 -8.693 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.130 -10.463 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.449 -11.100 -11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.127 -9.350 -11.213 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.621 -10.170 -9.713 1.00 0.00 H new ATOM 1162 N GLY A 73 84.566 -11.625 -9.870 1.00 0.00 N ATOM 1163 CA GLY A 73 84.057 -12.923 -9.447 1.00 0.00 C ATOM 1164 C GLY A 73 83.698 -13.789 -10.647 1.00 0.00 C ATOM 1165 O GLY A 73 83.900 -13.394 -11.796 1.00 0.00 O ATOM 0 H GLY A 73 84.572 -11.477 -10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 73 84.806 -13.431 -8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.177 -12.785 -8.818 1.00 0.00 H new ATOM 1169 N THR A 74 83.165 -14.975 -10.372 1.00 0.00 N ATOM 1170 CA THR A 74 82.783 -15.897 -11.434 1.00 0.00 C ATOM 1171 C THR A 74 81.536 -15.395 -12.158 1.00 0.00 C ATOM 1172 O THR A 74 80.553 -15.011 -11.525 1.00 0.00 O ATOM 1173 CB THR A 74 82.508 -17.279 -10.838 1.00 0.00 C ATOM 1174 OG1 THR A 74 83.632 -17.697 -10.077 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.249 -18.284 -11.962 1.00 0.00 C ATOM 0 H THR A 74 82.989 -15.318 -9.428 1.00 0.00 H new ATOM 0 HA THR A 74 83.601 -15.962 -12.151 1.00 0.00 H new ATOM 0 HB THR A 74 81.630 -17.227 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 74 83.457 -18.581 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.054 -19.267 -11.533 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.385 -17.964 -12.544 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.124 -18.338 -12.610 1.00 0.00 H new ATOM 1183 N VAL A 75 81.582 -15.407 -13.488 1.00 0.00 N ATOM 1184 CA VAL A 75 80.445 -14.955 -14.282 1.00 0.00 C ATOM 1185 C VAL A 75 80.109 -15.971 -15.370 1.00 0.00 C ATOM 1186 O VAL A 75 80.744 -16.001 -16.426 1.00 0.00 O ATOM 1187 CB VAL A 75 80.766 -13.607 -14.929 1.00 0.00 C ATOM 1188 CG1 VAL A 75 79.748 -13.313 -16.031 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.701 -12.504 -13.870 1.00 0.00 C ATOM 0 H VAL A 75 82.385 -15.721 -14.033 1.00 0.00 H new ATOM 0 HA VAL A 75 79.585 -14.850 -13.621 1.00 0.00 H new ATOM 0 HB VAL A 75 81.767 -13.641 -15.359 1.00 0.00 H new ATOM 0 HG11 VAL A 75 79.978 -12.352 -16.491 1.00 0.00 H new ATOM 0 HG12 VAL A 75 79.793 -14.097 -16.787 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.747 -13.280 -15.602 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.930 -11.543 -14.331 1.00 0.00 H new ATOM 0 HG22 VAL A 75 79.700 -12.471 -13.440 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.427 -12.711 -13.084 1.00 0.00 H new ATOM 1199 N LEU A 76 79.129 -16.824 -15.092 1.00 0.00 N ATOM 1200 CA LEU A 76 78.741 -17.858 -16.043 1.00 0.00 C ATOM 1201 C LEU A 76 77.834 -17.305 -17.138 1.00 0.00 C ATOM 1202 O LEU A 76 76.831 -16.643 -16.864 1.00 0.00 O ATOM 1203 CB LEU A 76 78.026 -18.993 -15.303 1.00 0.00 C ATOM 1204 CG LEU A 76 77.789 -20.172 -16.254 1.00 0.00 C ATOM 1205 CD1 LEU A 76 78.009 -21.485 -15.502 1.00 0.00 C ATOM 1206 CD2 LEU A 76 76.350 -20.128 -16.777 1.00 0.00 C ATOM 0 H LEU A 76 78.593 -16.820 -14.224 1.00 0.00 H new ATOM 0 HA LEU A 76 79.646 -18.235 -16.519 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.625 -19.317 -14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.075 -18.638 -14.907 1.00 0.00 H new ATOM 0 HG LEU A 76 78.485 -20.106 -17.090 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.841 -22.324 -16.177 1.00 0.00 H new ATOM 0 HD12 LEU A 76 79.031 -21.522 -15.125 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.312 -21.547 -14.666 1.00 0.00 H new ATOM 0 HD21 LEU A 76 76.183 -20.967 -17.453 1.00 0.00 H new ATOM 0 HD22 LEU A 76 75.656 -20.193 -15.939 1.00 0.00 H new ATOM 0 HD23 LEU A 76 76.186 -19.193 -17.312 1.00 0.00 H new ATOM 1218 N VAL A 77 78.203 -17.585 -18.387 1.00 0.00 N ATOM 1219 CA VAL A 77 77.430 -17.117 -19.531 1.00 0.00 C ATOM 1220 C VAL A 77 76.812 -18.298 -20.277 1.00 0.00 C ATOM 1221 O VAL A 77 77.462 -19.324 -20.494 1.00 0.00 O ATOM 1222 CB VAL A 77 78.338 -16.330 -20.481 1.00 0.00 C ATOM 1223 CG1 VAL A 77 79.362 -17.278 -21.109 1.00 0.00 C ATOM 1224 CG2 VAL A 77 77.500 -15.685 -21.588 1.00 0.00 C ATOM 0 H VAL A 77 79.029 -18.132 -18.630 1.00 0.00 H new ATOM 0 HA VAL A 77 76.630 -16.471 -19.170 1.00 0.00 H new ATOM 0 HB VAL A 77 78.853 -15.551 -19.919 1.00 0.00 H new ATOM 0 HG11 VAL A 77 80.009 -16.719 -21.785 1.00 0.00 H new ATOM 0 HG12 VAL A 77 79.965 -17.734 -20.324 1.00 0.00 H new ATOM 0 HG13 VAL A 77 78.842 -18.058 -21.666 1.00 0.00 H new ATOM 0 HG21 VAL A 77 78.152 -15.127 -22.260 1.00 0.00 H new ATOM 0 HG22 VAL A 77 76.979 -16.461 -22.149 1.00 0.00 H new ATOM 0 HG23 VAL A 77 76.771 -15.007 -21.144 1.00 0.00 H new ATOM 1234 N GLY A 78 75.550 -18.141 -20.666 1.00 0.00 N ATOM 1235 CA GLY A 78 74.841 -19.192 -21.385 1.00 0.00 C ATOM 1236 C GLY A 78 73.858 -18.597 -22.395 1.00 0.00 C ATOM 1237 O GLY A 78 73.691 -17.380 -22.475 1.00 0.00 O ATOM 0 H GLY A 78 75.000 -17.299 -20.496 1.00 0.00 H new ATOM 0 HA2 GLY A 78 75.557 -19.831 -21.902 1.00 0.00 H new ATOM 0 HA3 GLY A 78 74.304 -19.823 -20.677 1.00 0.00 H new ATOM 1241 N PRO A 79 73.224 -19.437 -23.169 1.00 0.00 N ATOM 1242 CA PRO A 79 72.243 -19.010 -24.216 1.00 0.00 C ATOM 1243 C PRO A 79 70.950 -18.421 -23.639 1.00 0.00 C ATOM 1244 O PRO A 79 70.118 -17.899 -24.382 1.00 0.00 O ATOM 1245 CB PRO A 79 71.953 -20.297 -24.994 1.00 0.00 C ATOM 1246 CG PRO A 79 72.285 -21.415 -24.060 1.00 0.00 C ATOM 1247 CD PRO A 79 73.376 -20.900 -23.124 1.00 0.00 C ATOM 0 HA PRO A 79 72.651 -18.208 -24.830 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.909 -20.341 -25.303 1.00 0.00 H new ATOM 0 HB3 PRO A 79 72.556 -20.351 -25.900 1.00 0.00 H new ATOM 0 HG2 PRO A 79 71.404 -21.721 -23.495 1.00 0.00 H new ATOM 0 HG3 PRO A 79 72.630 -22.290 -24.611 1.00 0.00 H new ATOM 0 HD2 PRO A 79 73.247 -21.284 -22.112 1.00 0.00 H new ATOM 0 HD3 PRO A 79 74.367 -21.209 -23.458 1.00 0.00 H new ATOM 1255 N THR A 80 70.779 -18.515 -22.324 1.00 0.00 N ATOM 1256 CA THR A 80 69.575 -17.996 -21.679 1.00 0.00 C ATOM 1257 C THR A 80 69.281 -16.568 -22.144 1.00 0.00 C ATOM 1258 O THR A 80 70.192 -15.829 -22.520 1.00 0.00 O ATOM 1259 CB THR A 80 69.748 -18.013 -20.158 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.987 -16.960 -19.582 1.00 0.00 O ATOM 1261 CG2 THR A 80 71.224 -17.825 -19.809 1.00 0.00 C ATOM 0 H THR A 80 71.452 -18.942 -21.687 1.00 0.00 H new ATOM 0 HA THR A 80 68.737 -18.634 -21.958 1.00 0.00 H new ATOM 0 HB THR A 80 69.401 -18.969 -19.765 1.00 0.00 H new ATOM 0 HG1 THR A 80 69.097 -16.972 -18.608 1.00 0.00 H new ATOM 0 HG21 THR A 80 71.346 -17.837 -18.726 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.808 -18.633 -20.249 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.572 -16.870 -20.203 1.00 0.00 H new ATOM 1269 N PRO A 81 68.030 -16.173 -22.129 1.00 0.00 N ATOM 1270 CA PRO A 81 67.605 -14.806 -22.563 1.00 0.00 C ATOM 1271 C PRO A 81 68.140 -13.702 -21.652 1.00 0.00 C ATOM 1272 O PRO A 81 68.367 -13.918 -20.462 1.00 0.00 O ATOM 1273 CB PRO A 81 66.074 -14.856 -22.511 1.00 0.00 C ATOM 1274 CG PRO A 81 65.739 -15.980 -21.588 1.00 0.00 C ATOM 1275 CD PRO A 81 66.882 -16.986 -21.696 1.00 0.00 C ATOM 0 HA PRO A 81 67.997 -14.565 -23.551 1.00 0.00 H new ATOM 0 HB2 PRO A 81 65.663 -13.914 -22.147 1.00 0.00 H new ATOM 0 HB3 PRO A 81 65.654 -15.025 -23.502 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.633 -15.622 -20.564 1.00 0.00 H new ATOM 0 HG3 PRO A 81 64.790 -16.440 -21.865 1.00 0.00 H new ATOM 0 HD2 PRO A 81 67.076 -17.474 -20.741 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.655 -17.772 -22.416 1.00 0.00 H new ATOM 1283 N VAL A 82 68.325 -12.515 -22.226 1.00 0.00 N ATOM 1284 CA VAL A 82 68.820 -11.366 -21.474 1.00 0.00 C ATOM 1285 C VAL A 82 69.789 -11.797 -20.376 1.00 0.00 C ATOM 1286 O VAL A 82 70.468 -12.818 -20.494 1.00 0.00 O ATOM 1287 CB VAL A 82 67.643 -10.612 -20.851 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.988 -9.125 -20.732 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.409 -10.777 -21.740 1.00 0.00 C ATOM 0 H VAL A 82 68.139 -12.325 -23.211 1.00 0.00 H new ATOM 0 HA VAL A 82 69.355 -10.714 -22.165 1.00 0.00 H new ATOM 0 HB VAL A 82 67.438 -11.016 -19.859 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.148 -8.591 -20.288 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.869 -9.005 -20.101 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.194 -8.719 -21.722 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.569 -10.241 -21.299 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.618 -10.373 -22.731 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.160 -11.835 -21.825 1.00 0.00 H new ATOM 1299 N ASN A 83 69.851 -11.004 -19.311 1.00 0.00 N ATOM 1300 CA ASN A 83 70.745 -11.307 -18.199 1.00 0.00 C ATOM 1301 C ASN A 83 70.011 -11.191 -16.867 1.00 0.00 C ATOM 1302 O ASN A 83 69.158 -10.321 -16.691 1.00 0.00 O ATOM 1303 CB ASN A 83 71.940 -10.349 -18.206 1.00 0.00 C ATOM 1304 CG ASN A 83 72.663 -10.430 -19.545 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.440 -11.365 -20.315 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.520 -9.502 -19.873 1.00 0.00 N ATOM 0 H ASN A 83 69.299 -10.155 -19.195 1.00 0.00 H new ATOM 0 HA ASN A 83 71.099 -12.331 -18.319 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.600 -9.329 -18.028 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.625 -10.603 -17.397 1.00 0.00 H new ATOM 0 HD21 ASN A 83 74.006 -9.550 -20.768 1.00 0.00 H new ATOM 0 HD22 ASN A 83 73.703 -8.728 -19.234 1.00 0.00 H new ATOM 1313 N ILE A 84 70.364 -12.061 -15.928 1.00 0.00 N ATOM 1314 CA ILE A 84 69.752 -12.036 -14.605 1.00 0.00 C ATOM 1315 C ILE A 84 70.836 -12.051 -13.534 1.00 0.00 C ATOM 1316 O ILE A 84 71.837 -12.755 -13.667 1.00 0.00 O ATOM 1317 CB ILE A 84 68.827 -13.239 -14.423 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.130 -13.139 -13.063 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.651 -14.524 -14.479 1.00 0.00 C ATOM 1320 CD1 ILE A 84 66.886 -14.029 -13.061 1.00 0.00 C ATOM 0 H ILE A 84 71.067 -12.789 -16.057 1.00 0.00 H new ATOM 0 HA ILE A 84 69.163 -11.124 -14.509 1.00 0.00 H new ATOM 0 HB ILE A 84 68.080 -13.251 -15.217 1.00 0.00 H new ATOM 0 HG12 ILE A 84 68.811 -13.446 -12.270 1.00 0.00 H new ATOM 0 HG13 ILE A 84 67.851 -12.105 -12.861 1.00 0.00 H new ATOM 0 HG21 ILE A 84 68.994 -15.384 -14.349 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.152 -14.593 -15.444 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.396 -14.514 -13.683 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.390 -13.958 -12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.203 -13.701 -13.844 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.178 -15.063 -13.244 1.00 0.00 H new ATOM 1332 N ILE A 85 70.636 -11.267 -12.478 1.00 0.00 N ATOM 1333 CA ILE A 85 71.616 -11.195 -11.400 1.00 0.00 C ATOM 1334 C ILE A 85 71.090 -11.884 -10.142 1.00 0.00 C ATOM 1335 O ILE A 85 69.972 -11.618 -9.698 1.00 0.00 O ATOM 1336 CB ILE A 85 71.927 -9.731 -11.085 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.275 -8.987 -12.378 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.115 -9.657 -10.125 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.358 -9.752 -13.141 1.00 0.00 C ATOM 0 H ILE A 85 69.813 -10.679 -12.347 1.00 0.00 H new ATOM 0 HA ILE A 85 72.523 -11.705 -11.724 1.00 0.00 H new ATOM 0 HB ILE A 85 71.054 -9.269 -10.624 1.00 0.00 H new ATOM 0 HG12 ILE A 85 71.385 -8.882 -12.999 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.623 -7.980 -12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.337 -8.614 -9.900 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.870 -10.183 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.986 -10.122 -10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.602 -9.218 -14.060 1.00 0.00 H new ATOM 0 HD12 ILE A 85 74.251 -9.834 -12.521 1.00 0.00 H new ATOM 0 HD13 ILE A 85 72.994 -10.750 -13.387 1.00 0.00 H new ATOM 1351 N GLY A 86 71.906 -12.768 -9.573 1.00 0.00 N ATOM 1352 CA GLY A 86 71.518 -13.490 -8.366 1.00 0.00 C ATOM 1353 C GLY A 86 72.078 -12.816 -7.116 1.00 0.00 C ATOM 1354 O GLY A 86 72.858 -11.868 -7.206 1.00 0.00 O ATOM 0 H GLY A 86 72.834 -13.000 -9.926 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.431 -13.537 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.879 -14.517 -8.421 1.00 0.00 H new ATOM 1358 N ARG A 87 71.670 -13.314 -5.953 1.00 0.00 N ATOM 1359 CA ARG A 87 72.123 -12.761 -4.681 1.00 0.00 C ATOM 1360 C ARG A 87 73.642 -12.843 -4.539 1.00 0.00 C ATOM 1361 O ARG A 87 74.250 -12.032 -3.842 1.00 0.00 O ATOM 1362 CB ARG A 87 71.475 -13.515 -3.518 1.00 0.00 C ATOM 1363 CG ARG A 87 69.964 -13.285 -3.528 1.00 0.00 C ATOM 1364 CD ARG A 87 69.350 -13.893 -2.265 1.00 0.00 C ATOM 1365 NE ARG A 87 69.724 -15.297 -2.145 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.588 -15.949 -0.993 1.00 0.00 C ATOM 1367 NH1 ARG A 87 69.110 -15.332 0.054 1.00 0.00 N ATOM 1368 NH2 ARG A 87 69.932 -17.205 -0.910 1.00 0.00 N ATOM 0 H ARG A 87 71.026 -14.100 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 87 71.828 -11.712 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 87 71.690 -14.580 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 87 71.897 -13.175 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 87 69.748 -12.218 -3.574 1.00 0.00 H new ATOM 0 HG3 ARG A 87 69.522 -13.738 -4.415 1.00 0.00 H new ATOM 0 HD2 ARG A 87 69.689 -13.343 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 87 68.264 -13.801 -2.300 1.00 0.00 H new ATOM 0 HE ARG A 87 70.096 -15.788 -2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 87 68.841 -14.350 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 87 69.006 -15.832 0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 87 70.305 -17.687 -1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.828 -17.705 -0.027 1.00 0.00 H new ATOM 1382 N ASN A 88 74.250 -13.829 -5.191 1.00 0.00 N ATOM 1383 CA ASN A 88 75.698 -13.994 -5.105 1.00 0.00 C ATOM 1384 C ASN A 88 76.410 -12.718 -5.540 1.00 0.00 C ATOM 1385 O ASN A 88 77.333 -12.254 -4.871 1.00 0.00 O ATOM 1386 CB ASN A 88 76.147 -15.163 -5.985 1.00 0.00 C ATOM 1387 CG ASN A 88 77.601 -15.512 -5.685 1.00 0.00 C ATOM 1388 OD1 ASN A 88 77.923 -15.929 -4.573 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.502 -15.361 -6.615 1.00 0.00 N ATOM 0 H ASN A 88 73.773 -14.516 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 88 75.959 -14.204 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.511 -16.030 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.037 -14.900 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.477 -15.589 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.232 -15.015 -7.536 1.00 0.00 H new ATOM 1396 N LEU A 89 75.971 -12.152 -6.659 1.00 0.00 N ATOM 1397 CA LEU A 89 76.572 -10.923 -7.165 1.00 0.00 C ATOM 1398 C LEU A 89 76.099 -9.720 -6.355 1.00 0.00 C ATOM 1399 O LEU A 89 76.867 -8.797 -6.088 1.00 0.00 O ATOM 1400 CB LEU A 89 76.204 -10.725 -8.637 1.00 0.00 C ATOM 1401 CG LEU A 89 77.037 -11.669 -9.510 1.00 0.00 C ATOM 1402 CD1 LEU A 89 78.492 -11.196 -9.555 1.00 0.00 C ATOM 1403 CD2 LEU A 89 76.984 -13.084 -8.928 1.00 0.00 C ATOM 0 H LEU A 89 75.209 -12.520 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 89 77.655 -11.008 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.142 -10.920 -8.785 1.00 0.00 H new ATOM 0 HB3 LEU A 89 76.383 -9.691 -8.930 1.00 0.00 H new ATOM 0 HG LEU A 89 76.628 -11.670 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 89 79.076 -11.874 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 89 78.535 -10.190 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 89 78.903 -11.187 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.577 -13.755 -9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 89 77.387 -13.076 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 89 75.950 -13.429 -8.904 1.00 0.00 H new ATOM 1415 N LEU A 90 74.825 -9.740 -5.975 1.00 0.00 N ATOM 1416 CA LEU A 90 74.247 -8.644 -5.204 1.00 0.00 C ATOM 1417 C LEU A 90 74.982 -8.473 -3.880 1.00 0.00 C ATOM 1418 O LEU A 90 75.207 -7.357 -3.422 1.00 0.00 O ATOM 1419 CB LEU A 90 72.773 -8.933 -4.924 1.00 0.00 C ATOM 1420 CG LEU A 90 72.083 -7.663 -4.428 1.00 0.00 C ATOM 1421 CD1 LEU A 90 71.599 -6.852 -5.629 1.00 0.00 C ATOM 1422 CD2 LEU A 90 70.886 -8.043 -3.553 1.00 0.00 C ATOM 0 H LEU A 90 74.176 -10.498 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 90 74.343 -7.726 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.285 -9.293 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.683 -9.722 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 90 72.785 -7.068 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 90 71.106 -5.945 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 90 72.451 -6.585 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.895 -7.447 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.393 -7.138 -3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.182 -8.635 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 90 71.230 -8.627 -2.699 1.00 0.00 H new ATOM 1434 N THR A 91 75.346 -9.591 -3.266 1.00 0.00 N ATOM 1435 CA THR A 91 76.049 -9.561 -1.990 1.00 0.00 C ATOM 1436 C THR A 91 77.422 -8.906 -2.135 1.00 0.00 C ATOM 1437 O THR A 91 77.901 -8.238 -1.218 1.00 0.00 O ATOM 1438 CB THR A 91 76.213 -10.984 -1.455 1.00 0.00 C ATOM 1439 OG1 THR A 91 74.939 -11.607 -1.379 1.00 0.00 O ATOM 1440 CG2 THR A 91 76.845 -10.942 -0.063 1.00 0.00 C ATOM 0 H THR A 91 75.167 -10.527 -3.629 1.00 0.00 H new ATOM 0 HA THR A 91 75.458 -8.971 -1.289 1.00 0.00 H new ATOM 0 HB THR A 91 76.859 -11.551 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.768 -12.104 -2.206 1.00 0.00 H new ATOM 0 HG21 THR A 91 76.960 -11.958 0.315 1.00 0.00 H new ATOM 0 HG22 THR A 91 77.823 -10.463 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 91 76.203 -10.375 0.611 1.00 0.00 H new ATOM 1448 N GLN A 92 78.055 -9.123 -3.281 1.00 0.00 N ATOM 1449 CA GLN A 92 79.384 -8.571 -3.529 1.00 0.00 C ATOM 1450 C GLN A 92 79.405 -7.047 -3.396 1.00 0.00 C ATOM 1451 O GLN A 92 80.329 -6.488 -2.803 1.00 0.00 O ATOM 1452 CB GLN A 92 79.848 -8.965 -4.932 1.00 0.00 C ATOM 1453 CG GLN A 92 81.376 -8.953 -4.987 1.00 0.00 C ATOM 1454 CD GLN A 92 81.897 -7.544 -4.730 1.00 0.00 C ATOM 1455 OE1 GLN A 92 81.293 -6.569 -5.175 1.00 0.00 O ATOM 1456 NE2 GLN A 92 82.990 -7.380 -4.038 1.00 0.00 N ATOM 0 H GLN A 92 77.674 -9.674 -4.050 1.00 0.00 H new ATOM 0 HA GLN A 92 80.059 -8.981 -2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.472 -9.956 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.442 -8.272 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.780 -9.640 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.716 -9.303 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.488 -8.191 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 92 83.347 -6.441 -3.864 1.00 0.00 H new ATOM 1465 N ILE A 93 78.399 -6.375 -3.949 1.00 0.00 N ATOM 1466 CA ILE A 93 78.348 -4.915 -3.876 1.00 0.00 C ATOM 1467 C ILE A 93 78.141 -4.451 -2.437 1.00 0.00 C ATOM 1468 O ILE A 93 78.512 -3.335 -2.074 1.00 0.00 O ATOM 1469 CB ILE A 93 77.223 -4.369 -4.765 1.00 0.00 C ATOM 1470 CG1 ILE A 93 77.537 -2.919 -5.144 1.00 0.00 C ATOM 1471 CG2 ILE A 93 75.891 -4.408 -4.012 1.00 0.00 C ATOM 1472 CD1 ILE A 93 76.490 -2.408 -6.137 1.00 0.00 C ATOM 0 H ILE A 93 77.620 -6.807 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 93 79.302 -4.528 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 93 77.149 -4.984 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 93 77.543 -2.293 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 93 78.532 -2.855 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 93 75.100 -4.018 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 93 75.660 -5.436 -3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 93 75.964 -3.797 -3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 93 76.716 -1.376 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 93 76.506 -3.028 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 93 75.501 -2.456 -5.680 1.00 0.00 H new ATOM 1484 N GLY A 94 77.536 -5.313 -1.627 1.00 0.00 N ATOM 1485 CA GLY A 94 77.275 -4.980 -0.231 1.00 0.00 C ATOM 1486 C GLY A 94 75.956 -4.226 -0.094 1.00 0.00 C ATOM 1487 O GLY A 94 75.155 -4.186 -1.027 1.00 0.00 O ATOM 0 H GLY A 94 77.219 -6.240 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 94 77.242 -5.892 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 94 78.090 -4.372 0.161 1.00 0.00 H new ATOM 1491 N ALA A 95 75.736 -3.631 1.074 1.00 0.00 N ATOM 1492 CA ALA A 95 74.507 -2.881 1.316 1.00 0.00 C ATOM 1493 C ALA A 95 74.648 -2.005 2.555 1.00 0.00 C ATOM 1494 O ALA A 95 75.649 -2.139 3.240 1.00 0.00 O ATOM 1495 CB ALA A 95 73.333 -3.844 1.501 1.00 0.00 C ATOM 1496 OXT ALA A 95 73.754 -1.212 2.801 1.00 0.00 O ATOM 0 H ALA A 95 76.385 -3.652 1.861 1.00 0.00 H new ATOM 0 HA ALA A 95 74.320 -2.242 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 95 72.421 -3.275 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 95 73.213 -4.448 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 95 73.528 -4.496 2.352 1.00 0.00 H new TER 1502 ALA A 95