USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot -43:sc= 0.124 USER MOD Set 1.2: A 59 GLN : amide:sc= -0.379 X(o=-0.25,f=0.2) USER MOD Set 2.1: A 4 HIS : no HD1:sc= 1.03 K(o=2.4,f=-0.6) USER MOD Set 2.2: A 39 THR OG1 : rot -32:sc= 1.38 USER MOD Single : A 1 MET CE :methyl 168:sc= -2.47 (180deg=-2.59!) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.00989 (180deg=-0.0327) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -7:sc= 0.605 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 19 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.022) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.581 K(o=-0.58,f=-4.8!) USER MOD Single : A 43 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 55 CYS SG : rot 3:sc= -2.05! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 69 GLN : amide:sc= -0.314 K(o=-0.31,f=-3.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.01 USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= -1.06 (180deg=-3.04!) USER MOD Single : A 76 TYR OH : rot 150:sc= 0.139 USER MOD Single : A 78 GLN : amide:sc= -0.652 K(o=-0.65,f=-0.05) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 97 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.100 -5.026 6.997 1.00 0.00 N ATOM 2 CA MET A 1 6.603 -5.426 5.661 1.00 0.00 C ATOM 3 C MET A 1 7.231 -6.746 5.208 1.00 0.00 C ATOM 4 O MET A 1 8.252 -7.184 5.749 1.00 0.00 O ATOM 5 CB MET A 1 6.852 -4.303 4.608 1.00 0.00 C ATOM 6 CG MET A 1 8.229 -3.610 4.697 1.00 0.00 C ATOM 7 SD MET A 1 9.665 -4.712 4.586 1.00 0.00 S ATOM 8 CE MET A 1 9.676 -5.173 2.863 1.00 0.00 C ATOM 0 H1 MET A 1 7.004 -3.997 7.109 1.00 0.00 H new ATOM 0 H2 MET A 1 6.545 -5.508 7.733 1.00 0.00 H new ATOM 0 H3 MET A 1 8.101 -5.292 7.089 1.00 0.00 H new ATOM 0 HA MET A 1 5.527 -5.578 5.743 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.743 -4.731 3.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.075 -3.546 4.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.297 -2.871 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.282 -3.066 5.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.618 -5.667 2.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.849 -5.854 2.663 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.568 -4.280 2.247 1.00 0.00 H new ATOM 18 N LEU A 2 6.599 -7.367 4.204 1.00 0.00 N ATOM 19 CA LEU A 2 7.136 -8.548 3.507 1.00 0.00 C ATOM 20 C LEU A 2 7.557 -8.147 2.084 1.00 0.00 C ATOM 21 O LEU A 2 7.004 -7.197 1.504 1.00 0.00 O ATOM 22 CB LEU A 2 6.099 -9.719 3.525 1.00 0.00 C ATOM 23 CG LEU A 2 4.639 -9.415 3.019 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.522 -9.360 1.479 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.621 -10.420 3.610 1.00 0.00 C ATOM 0 H LEU A 2 5.693 -7.063 3.848 1.00 0.00 H new ATOM 0 HA LEU A 2 8.021 -8.917 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.501 -10.531 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.029 -10.088 4.548 1.00 0.00 H new ATOM 0 HG LEU A 2 4.399 -8.416 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.490 -9.147 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.172 -8.575 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.821 -10.319 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.622 -10.185 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.890 -11.432 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.633 -10.352 4.698 1.00 0.00 H new ATOM 37 N LEU A 3 8.568 -8.836 1.548 1.00 0.00 N ATOM 38 CA LEU A 3 9.073 -8.646 0.179 1.00 0.00 C ATOM 39 C LEU A 3 8.016 -9.152 -0.820 1.00 0.00 C ATOM 40 O LEU A 3 7.790 -10.361 -0.915 1.00 0.00 O ATOM 41 CB LEU A 3 10.430 -9.428 0.012 1.00 0.00 C ATOM 42 CG LEU A 3 11.706 -8.859 0.744 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.429 -8.435 2.196 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.876 -9.884 0.697 1.00 0.00 C ATOM 0 H LEU A 3 9.072 -9.558 2.063 1.00 0.00 H new ATOM 0 HA LEU A 3 9.259 -7.590 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.272 -10.449 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.654 -9.485 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 3 11.993 -7.959 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.346 -8.052 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.667 -7.656 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.078 -9.295 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.744 -9.469 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.571 -10.807 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.133 -10.096 -0.341 1.00 0.00 H new ATOM 56 N HIS A 4 7.324 -8.208 -1.508 1.00 0.00 N ATOM 57 CA HIS A 4 6.320 -8.521 -2.567 1.00 0.00 C ATOM 58 C HIS A 4 6.809 -9.588 -3.582 1.00 0.00 C ATOM 59 O HIS A 4 6.004 -10.340 -4.137 1.00 0.00 O ATOM 60 CB HIS A 4 5.879 -7.223 -3.308 1.00 0.00 C ATOM 61 CG HIS A 4 6.948 -6.499 -4.116 1.00 0.00 C ATOM 62 ND1 HIS A 4 7.494 -5.293 -3.732 1.00 0.00 N ATOM 63 CD2 HIS A 4 7.551 -6.806 -5.298 1.00 0.00 C ATOM 64 CE1 HIS A 4 8.369 -4.893 -4.636 1.00 0.00 C ATOM 65 NE2 HIS A 4 8.426 -5.790 -5.595 1.00 0.00 N ATOM 0 H HIS A 4 7.444 -7.208 -1.347 1.00 0.00 H new ATOM 0 HA HIS A 4 5.461 -8.954 -2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.059 -7.477 -3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.482 -6.527 -2.569 1.00 0.00 H new ATOM 0 HD2 HIS A 4 7.373 -7.689 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 4 8.943 -3.979 -4.594 1.00 0.00 H new ATOM 0 HE2 HIS A 4 9.021 -5.740 -6.422 1.00 0.00 H new ATOM 74 N SER A 5 8.135 -9.616 -3.805 1.00 0.00 N ATOM 75 CA SER A 5 8.808 -10.616 -4.638 1.00 0.00 C ATOM 76 C SER A 5 10.328 -10.495 -4.443 1.00 0.00 C ATOM 77 O SER A 5 10.872 -9.392 -4.561 1.00 0.00 O ATOM 78 CB SER A 5 8.437 -10.458 -6.134 1.00 0.00 C ATOM 79 OG SER A 5 9.050 -11.470 -6.919 1.00 0.00 O ATOM 0 H SER A 5 8.775 -8.931 -3.403 1.00 0.00 H new ATOM 0 HA SER A 5 8.475 -11.607 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.354 -10.507 -6.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.752 -9.477 -6.489 1.00 0.00 H new ATOM 0 HG SER A 5 8.800 -11.351 -7.859 1.00 0.00 H new ATOM 85 N VAL A 6 10.990 -11.620 -4.121 1.00 0.00 N ATOM 86 CA VAL A 6 12.460 -11.705 -3.962 1.00 0.00 C ATOM 87 C VAL A 6 13.044 -12.634 -5.051 1.00 0.00 C ATOM 88 O VAL A 6 12.347 -13.531 -5.557 1.00 0.00 O ATOM 89 CB VAL A 6 12.840 -12.239 -2.516 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.439 -13.724 -2.306 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.340 -12.015 -2.190 1.00 0.00 C ATOM 0 H VAL A 6 10.517 -12.509 -3.961 1.00 0.00 H new ATOM 0 HA VAL A 6 12.886 -10.708 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 6 12.256 -11.647 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.721 -14.039 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.361 -13.831 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.952 -14.347 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.556 -12.395 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.954 -12.543 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.566 -10.949 -2.229 1.00 0.00 H new ATOM 101 N GLU A 7 14.315 -12.398 -5.420 1.00 0.00 N ATOM 102 CA GLU A 7 15.054 -13.265 -6.353 1.00 0.00 C ATOM 103 C GLU A 7 15.761 -14.377 -5.559 1.00 0.00 C ATOM 104 O GLU A 7 16.374 -14.108 -4.518 1.00 0.00 O ATOM 105 CB GLU A 7 16.076 -12.442 -7.185 1.00 0.00 C ATOM 106 CG GLU A 7 15.454 -11.261 -7.957 1.00 0.00 C ATOM 107 CD GLU A 7 16.349 -10.719 -9.086 1.00 0.00 C ATOM 108 OE1 GLU A 7 17.353 -10.030 -8.799 1.00 0.00 O ATOM 109 OE2 GLU A 7 16.059 -10.998 -10.272 1.00 0.00 O ATOM 0 H GLU A 7 14.857 -11.603 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 7 14.352 -13.716 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.848 -12.059 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.569 -13.106 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.501 -11.577 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.239 -10.454 -7.257 1.00 0.00 H new ATOM 116 N THR A 8 15.649 -15.626 -6.046 1.00 0.00 N ATOM 117 CA THR A 8 16.198 -16.831 -5.381 1.00 0.00 C ATOM 118 C THR A 8 16.859 -17.764 -6.430 1.00 0.00 C ATOM 119 O THR A 8 16.554 -17.652 -7.620 1.00 0.00 O ATOM 120 CB THR A 8 15.074 -17.627 -4.623 1.00 0.00 C ATOM 121 OG1 THR A 8 13.969 -17.879 -5.503 1.00 0.00 O ATOM 122 CG2 THR A 8 14.577 -16.898 -3.365 1.00 0.00 C ATOM 0 H THR A 8 15.170 -15.834 -6.922 1.00 0.00 H new ATOM 0 HA THR A 8 16.942 -16.499 -4.656 1.00 0.00 H new ATOM 0 HB THR A 8 15.517 -18.569 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.111 -17.407 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.802 -17.493 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.408 -16.756 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.168 -15.927 -3.645 1.00 0.00 H new ATOM 130 N PRO A 9 17.794 -18.689 -6.013 1.00 0.00 N ATOM 131 CA PRO A 9 18.340 -19.755 -6.906 1.00 0.00 C ATOM 132 C PRO A 9 17.244 -20.660 -7.532 1.00 0.00 C ATOM 133 O PRO A 9 17.388 -21.138 -8.666 1.00 0.00 O ATOM 134 CB PRO A 9 19.284 -20.564 -5.974 1.00 0.00 C ATOM 135 CG PRO A 9 19.676 -19.586 -4.910 1.00 0.00 C ATOM 136 CD PRO A 9 18.460 -18.712 -4.681 1.00 0.00 C ATOM 0 HA PRO A 9 18.846 -19.330 -7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.778 -21.432 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.155 -20.935 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.965 -20.101 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.532 -18.989 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.807 -19.126 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 9 18.741 -17.711 -4.355 1.00 0.00 H new ATOM 144 N ARG A 10 16.144 -20.863 -6.782 1.00 0.00 N ATOM 145 CA ARG A 10 14.993 -21.690 -7.228 1.00 0.00 C ATOM 146 C ARG A 10 14.031 -20.906 -8.148 1.00 0.00 C ATOM 147 O ARG A 10 13.048 -21.472 -8.645 1.00 0.00 O ATOM 148 CB ARG A 10 14.234 -22.252 -5.999 1.00 0.00 C ATOM 149 CG ARG A 10 13.592 -21.191 -5.072 1.00 0.00 C ATOM 150 CD ARG A 10 13.047 -21.805 -3.771 1.00 0.00 C ATOM 151 NE ARG A 10 14.111 -22.466 -3.002 1.00 0.00 N ATOM 152 CZ ARG A 10 13.939 -23.203 -1.907 1.00 0.00 C ATOM 153 NH1 ARG A 10 12.735 -23.422 -1.406 1.00 0.00 N ATOM 154 NH2 ARG A 10 14.991 -23.715 -1.310 1.00 0.00 N ATOM 0 H ARG A 10 16.023 -20.462 -5.852 1.00 0.00 H new ATOM 0 HA ARG A 10 15.391 -22.518 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.451 -22.922 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.926 -22.853 -5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.332 -20.429 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.782 -20.691 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.588 -21.025 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.265 -22.527 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 10 15.067 -22.349 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.913 -23.023 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.628 -23.990 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.924 -23.546 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.875 -24.282 -0.470 1.00 0.00 H new ATOM 168 N GLY A 11 14.303 -19.604 -8.349 1.00 0.00 N ATOM 169 CA GLY A 11 13.549 -18.763 -9.286 1.00 0.00 C ATOM 170 C GLY A 11 13.067 -17.467 -8.647 1.00 0.00 C ATOM 171 O GLY A 11 13.861 -16.728 -8.058 1.00 0.00 O ATOM 0 H GLY A 11 15.052 -19.109 -7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.177 -18.529 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.691 -19.321 -9.661 1.00 0.00 H new ATOM 175 N GLU A 12 11.766 -17.184 -8.770 1.00 0.00 N ATOM 176 CA GLU A 12 11.142 -15.965 -8.230 1.00 0.00 C ATOM 177 C GLU A 12 10.092 -16.361 -7.178 1.00 0.00 C ATOM 178 O GLU A 12 9.264 -17.238 -7.430 1.00 0.00 O ATOM 179 CB GLU A 12 10.502 -15.158 -9.390 1.00 0.00 C ATOM 180 CG GLU A 12 9.872 -13.822 -8.974 1.00 0.00 C ATOM 181 CD GLU A 12 9.378 -12.990 -10.173 1.00 0.00 C ATOM 182 OE1 GLU A 12 10.182 -12.220 -10.749 1.00 0.00 O ATOM 183 OE2 GLU A 12 8.193 -13.102 -10.551 1.00 0.00 O ATOM 0 H GLU A 12 11.108 -17.798 -9.251 1.00 0.00 H new ATOM 0 HA GLU A 12 11.890 -15.335 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.265 -14.965 -10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.736 -15.773 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.035 -14.015 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.603 -13.241 -8.412 1.00 0.00 H new ATOM 190 N ILE A 13 10.145 -15.712 -6.000 1.00 0.00 N ATOM 191 CA ILE A 13 9.264 -16.020 -4.851 1.00 0.00 C ATOM 192 C ILE A 13 8.437 -14.775 -4.498 1.00 0.00 C ATOM 193 O ILE A 13 9.003 -13.725 -4.227 1.00 0.00 O ATOM 194 CB ILE A 13 10.099 -16.478 -3.592 1.00 0.00 C ATOM 195 CG1 ILE A 13 11.017 -17.695 -3.928 1.00 0.00 C ATOM 196 CG2 ILE A 13 9.183 -16.789 -2.382 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.300 -18.935 -4.422 1.00 0.00 C ATOM 0 H ILE A 13 10.803 -14.955 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 13 8.605 -16.840 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 13 10.742 -15.644 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.737 -17.387 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.586 -17.956 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.793 -17.101 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.619 -15.896 -2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.492 -17.589 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.029 -19.720 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.600 -19.279 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.754 -18.700 -5.336 1.00 0.00 H new ATOM 209 N LEU A 14 7.106 -14.916 -4.497 1.00 0.00 N ATOM 210 CA LEU A 14 6.165 -13.812 -4.232 1.00 0.00 C ATOM 211 C LEU A 14 5.742 -13.806 -2.752 1.00 0.00 C ATOM 212 O LEU A 14 5.540 -14.883 -2.172 1.00 0.00 O ATOM 213 CB LEU A 14 4.906 -13.969 -5.131 1.00 0.00 C ATOM 214 CG LEU A 14 5.181 -14.186 -6.651 1.00 0.00 C ATOM 215 CD1 LEU A 14 3.869 -14.371 -7.442 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.040 -13.044 -7.236 1.00 0.00 C ATOM 0 H LEU A 14 6.644 -15.806 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 14 6.663 -12.869 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.322 -14.813 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.287 -13.079 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 14 5.753 -15.109 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.098 -14.520 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.334 -15.241 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.247 -13.483 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.213 -13.226 -8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.518 -12.095 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.996 -13.004 -6.714 1.00 0.00 H new ATOM 228 N ASN A 15 5.630 -12.587 -2.173 1.00 0.00 N ATOM 229 CA ASN A 15 5.064 -12.323 -0.827 1.00 0.00 C ATOM 230 C ASN A 15 5.729 -13.186 0.256 1.00 0.00 C ATOM 231 O ASN A 15 5.235 -14.270 0.606 1.00 0.00 O ATOM 232 CB ASN A 15 3.523 -12.498 -0.819 1.00 0.00 C ATOM 233 CG ASN A 15 2.794 -11.616 -1.836 1.00 0.00 C ATOM 234 OD1 ASN A 15 3.249 -10.521 -2.178 1.00 0.00 O ATOM 235 ND2 ASN A 15 1.659 -12.094 -2.323 1.00 0.00 N ATOM 0 H ASN A 15 5.939 -11.736 -2.642 1.00 0.00 H new ATOM 0 HA ASN A 15 5.283 -11.283 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.285 -13.542 -1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.147 -12.273 0.179 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.129 -11.552 -3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.315 -13.004 -2.016 1.00 0.00 H new ATOM 242 N VAL A 16 6.864 -12.705 0.763 1.00 0.00 N ATOM 243 CA VAL A 16 7.726 -13.475 1.666 1.00 0.00 C ATOM 244 C VAL A 16 8.531 -12.533 2.579 1.00 0.00 C ATOM 245 O VAL A 16 9.022 -11.504 2.122 1.00 0.00 O ATOM 246 CB VAL A 16 8.683 -14.412 0.828 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.531 -13.605 -0.186 1.00 0.00 C ATOM 248 CG2 VAL A 16 9.572 -15.276 1.739 1.00 0.00 C ATOM 0 H VAL A 16 7.214 -11.769 0.560 1.00 0.00 H new ATOM 0 HA VAL A 16 7.102 -14.102 2.303 1.00 0.00 H new ATOM 0 HB VAL A 16 8.047 -15.088 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.176 -14.284 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.871 -13.083 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.144 -12.879 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.216 -15.907 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.187 -14.630 2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.944 -15.904 2.371 1.00 0.00 H new ATOM 258 N SER A 17 8.645 -12.875 3.872 1.00 0.00 N ATOM 259 CA SER A 17 9.467 -12.110 4.823 1.00 0.00 C ATOM 260 C SER A 17 10.965 -12.346 4.541 1.00 0.00 C ATOM 261 O SER A 17 11.318 -13.276 3.826 1.00 0.00 O ATOM 262 CB SER A 17 9.106 -12.524 6.266 1.00 0.00 C ATOM 263 OG SER A 17 9.864 -11.800 7.223 1.00 0.00 O ATOM 0 H SER A 17 8.175 -13.681 4.285 1.00 0.00 H new ATOM 0 HA SER A 17 9.265 -11.046 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.043 -12.354 6.439 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.283 -13.592 6.394 1.00 0.00 H new ATOM 0 HG SER A 17 9.610 -12.085 8.125 1.00 0.00 H new ATOM 269 N GLU A 18 11.828 -11.510 5.126 1.00 0.00 N ATOM 270 CA GLU A 18 13.281 -11.525 4.864 1.00 0.00 C ATOM 271 C GLU A 18 13.952 -12.813 5.378 1.00 0.00 C ATOM 272 O GLU A 18 14.676 -13.484 4.634 1.00 0.00 O ATOM 273 CB GLU A 18 13.921 -10.287 5.519 1.00 0.00 C ATOM 274 CG GLU A 18 13.458 -8.968 4.892 1.00 0.00 C ATOM 275 CD GLU A 18 14.010 -7.724 5.584 1.00 0.00 C ATOM 276 OE1 GLU A 18 15.224 -7.469 5.463 1.00 0.00 O ATOM 277 OE2 GLU A 18 13.245 -7.000 6.251 1.00 0.00 O ATOM 0 H GLU A 18 11.543 -10.798 5.799 1.00 0.00 H new ATOM 0 HA GLU A 18 13.434 -11.500 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.681 -10.281 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.005 -10.360 5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.757 -8.951 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.369 -8.930 4.913 1.00 0.00 H new ATOM 284 N GLN A 19 13.677 -13.155 6.643 1.00 0.00 N ATOM 285 CA GLN A 19 14.284 -14.328 7.306 1.00 0.00 C ATOM 286 C GLN A 19 13.745 -15.635 6.701 1.00 0.00 C ATOM 287 O GLN A 19 14.486 -16.612 6.562 1.00 0.00 O ATOM 288 CB GLN A 19 14.027 -14.268 8.831 1.00 0.00 C ATOM 289 CG GLN A 19 14.730 -13.096 9.554 1.00 0.00 C ATOM 290 CD GLN A 19 16.257 -13.226 9.561 1.00 0.00 C ATOM 291 OE1 GLN A 19 16.943 -12.733 8.666 1.00 0.00 O ATOM 292 NE2 GLN A 19 16.792 -13.908 10.568 1.00 0.00 N ATOM 0 H GLN A 19 13.032 -12.634 7.237 1.00 0.00 H new ATOM 0 HA GLN A 19 15.361 -14.308 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.953 -14.193 9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.357 -15.205 9.279 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.453 -12.159 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.371 -13.042 10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.192 -14.303 11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.803 -14.037 10.617 1.00 0.00 H new ATOM 301 N GLU A 20 12.454 -15.622 6.331 1.00 0.00 N ATOM 302 CA GLU A 20 11.790 -16.754 5.654 1.00 0.00 C ATOM 303 C GLU A 20 12.410 -16.991 4.268 1.00 0.00 C ATOM 304 O GLU A 20 12.723 -18.129 3.902 1.00 0.00 O ATOM 305 CB GLU A 20 10.271 -16.469 5.535 1.00 0.00 C ATOM 306 CG GLU A 20 9.480 -17.477 4.675 1.00 0.00 C ATOM 307 CD GLU A 20 7.957 -17.260 4.728 1.00 0.00 C ATOM 308 OE1 GLU A 20 7.487 -16.176 4.318 1.00 0.00 O ATOM 309 OE2 GLU A 20 7.223 -18.164 5.184 1.00 0.00 O ATOM 0 H GLU A 20 11.838 -14.825 6.492 1.00 0.00 H new ATOM 0 HA GLU A 20 11.934 -17.658 6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.841 -16.454 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.136 -15.472 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.815 -17.402 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.708 -18.488 5.012 1.00 0.00 H new ATOM 316 N ALA A 21 12.543 -15.896 3.499 1.00 0.00 N ATOM 317 CA ALA A 21 13.244 -15.892 2.204 1.00 0.00 C ATOM 318 C ALA A 21 14.635 -16.559 2.302 1.00 0.00 C ATOM 319 O ALA A 21 14.951 -17.429 1.503 1.00 0.00 O ATOM 320 CB ALA A 21 13.340 -14.456 1.663 1.00 0.00 C ATOM 0 H ALA A 21 12.165 -14.985 3.760 1.00 0.00 H new ATOM 0 HA ALA A 21 12.664 -16.488 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.860 -14.462 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.337 -14.050 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.891 -13.837 2.371 1.00 0.00 H new ATOM 326 N ARG A 22 15.423 -16.188 3.328 1.00 0.00 N ATOM 327 CA ARG A 22 16.774 -16.755 3.554 1.00 0.00 C ATOM 328 C ARG A 22 16.713 -18.245 3.969 1.00 0.00 C ATOM 329 O ARG A 22 17.493 -19.062 3.476 1.00 0.00 O ATOM 330 CB ARG A 22 17.536 -15.948 4.641 1.00 0.00 C ATOM 331 CG ARG A 22 17.813 -14.478 4.274 1.00 0.00 C ATOM 332 CD ARG A 22 18.633 -13.738 5.349 1.00 0.00 C ATOM 333 NE ARG A 22 19.956 -14.363 5.561 1.00 0.00 N ATOM 334 CZ ARG A 22 21.089 -13.719 5.880 1.00 0.00 C ATOM 335 NH1 ARG A 22 21.124 -12.403 6.033 1.00 0.00 N ATOM 336 NH2 ARG A 22 22.197 -14.408 6.041 1.00 0.00 N ATOM 0 H ARG A 22 15.148 -15.492 4.021 1.00 0.00 H new ATOM 0 HA ARG A 22 17.309 -16.685 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.959 -15.975 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 22 18.486 -16.443 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.348 -14.440 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.865 -13.960 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.766 -12.698 5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.079 -13.733 6.288 1.00 0.00 H new ATOM 0 HE ARG A 22 20.013 -15.376 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.275 -11.852 5.908 1.00 0.00 H new ATOM 0 HH12 ARG A 22 22.000 -11.941 6.276 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.189 -15.421 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.064 -13.929 6.284 1.00 0.00 H new ATOM 350 N ASP A 23 15.765 -18.584 4.860 1.00 0.00 N ATOM 351 CA ASP A 23 15.709 -19.911 5.518 1.00 0.00 C ATOM 352 C ASP A 23 15.128 -20.972 4.571 1.00 0.00 C ATOM 353 O ASP A 23 15.791 -21.960 4.236 1.00 0.00 O ATOM 354 CB ASP A 23 14.870 -19.830 6.824 1.00 0.00 C ATOM 355 CG ASP A 23 14.807 -21.163 7.599 1.00 0.00 C ATOM 356 OD1 ASP A 23 15.781 -21.489 8.313 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.789 -21.888 7.503 1.00 0.00 O ATOM 0 H ASP A 23 15.017 -17.952 5.147 1.00 0.00 H new ATOM 0 HA ASP A 23 16.726 -20.208 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.294 -19.062 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.856 -19.515 6.576 1.00 0.00 H new ATOM 362 N VAL A 24 13.882 -20.735 4.154 1.00 0.00 N ATOM 363 CA VAL A 24 13.117 -21.657 3.307 1.00 0.00 C ATOM 364 C VAL A 24 13.609 -21.604 1.846 1.00 0.00 C ATOM 365 O VAL A 24 13.973 -22.630 1.265 1.00 0.00 O ATOM 366 CB VAL A 24 11.573 -21.321 3.364 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.737 -22.361 2.569 1.00 0.00 C ATOM 368 CG2 VAL A 24 11.076 -21.190 4.831 1.00 0.00 C ATOM 0 H VAL A 24 13.369 -19.888 4.397 1.00 0.00 H new ATOM 0 HA VAL A 24 13.274 -22.665 3.691 1.00 0.00 H new ATOM 0 HB VAL A 24 11.429 -20.353 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.680 -22.101 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.053 -22.360 1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.891 -23.353 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.011 -20.959 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.245 -22.129 5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.623 -20.390 5.330 1.00 0.00 H new ATOM 378 N PHE A 25 13.638 -20.382 1.286 1.00 0.00 N ATOM 379 CA PHE A 25 13.813 -20.161 -0.169 1.00 0.00 C ATOM 380 C PHE A 25 15.280 -19.912 -0.570 1.00 0.00 C ATOM 381 O PHE A 25 15.610 -19.950 -1.762 1.00 0.00 O ATOM 382 CB PHE A 25 12.893 -19.007 -0.626 1.00 0.00 C ATOM 383 CG PHE A 25 11.414 -19.273 -0.331 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.714 -20.251 -1.041 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.731 -18.566 0.660 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.377 -20.500 -0.780 1.00 0.00 C ATOM 387 CE2 PHE A 25 9.395 -18.817 0.917 1.00 0.00 C ATOM 388 CZ PHE A 25 8.720 -19.787 0.204 1.00 0.00 C ATOM 0 H PHE A 25 13.542 -19.520 1.823 1.00 0.00 H new ATOM 0 HA PHE A 25 13.525 -21.078 -0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.198 -18.087 -0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.022 -18.848 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.223 -20.821 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.252 -17.814 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.848 -21.252 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.878 -18.252 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.680 -19.988 0.415 1.00 0.00 H new ATOM 398 N GLY A 26 16.145 -19.673 0.428 1.00 0.00 N ATOM 399 CA GLY A 26 17.579 -19.480 0.205 1.00 0.00 C ATOM 400 C GLY A 26 17.919 -18.218 -0.588 1.00 0.00 C ATOM 401 O GLY A 26 18.801 -18.240 -1.450 1.00 0.00 O ATOM 0 H GLY A 26 15.867 -19.609 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.084 -19.438 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.974 -20.347 -0.324 1.00 0.00 H new ATOM 405 N ALA A 27 17.216 -17.120 -0.286 1.00 0.00 N ATOM 406 CA ALA A 27 17.459 -15.805 -0.903 1.00 0.00 C ATOM 407 C ALA A 27 18.703 -15.150 -0.287 1.00 0.00 C ATOM 408 O ALA A 27 18.891 -15.178 0.940 1.00 0.00 O ATOM 409 CB ALA A 27 16.232 -14.901 -0.747 1.00 0.00 C ATOM 0 H ALA A 27 16.458 -17.116 0.397 1.00 0.00 H new ATOM 0 HA ALA A 27 17.639 -15.948 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.431 -13.934 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.374 -15.365 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.017 -14.759 0.312 1.00 0.00 H new ATOM 415 N SER A 28 19.538 -14.558 -1.151 1.00 0.00 N ATOM 416 CA SER A 28 20.840 -13.995 -0.767 1.00 0.00 C ATOM 417 C SER A 28 20.673 -12.597 -0.138 1.00 0.00 C ATOM 418 O SER A 28 19.664 -11.930 -0.357 1.00 0.00 O ATOM 419 CB SER A 28 21.770 -13.949 -2.002 1.00 0.00 C ATOM 420 OG SER A 28 21.195 -13.207 -3.066 1.00 0.00 O ATOM 0 H SER A 28 19.328 -14.455 -2.144 1.00 0.00 H new ATOM 0 HA SER A 28 21.295 -14.636 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 28 22.725 -13.503 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.979 -14.965 -2.338 1.00 0.00 H new ATOM 0 HG SER A 28 21.811 -13.198 -3.828 1.00 0.00 H new ATOM 426 N GLU A 29 21.689 -12.156 0.611 1.00 0.00 N ATOM 427 CA GLU A 29 21.631 -10.902 1.402 1.00 0.00 C ATOM 428 C GLU A 29 21.485 -9.640 0.506 1.00 0.00 C ATOM 429 O GLU A 29 20.897 -8.634 0.926 1.00 0.00 O ATOM 430 CB GLU A 29 22.877 -10.810 2.304 1.00 0.00 C ATOM 431 CG GLU A 29 23.030 -12.006 3.262 1.00 0.00 C ATOM 432 CD GLU A 29 24.228 -11.884 4.222 1.00 0.00 C ATOM 433 OE1 GLU A 29 25.378 -11.760 3.744 1.00 0.00 O ATOM 434 OE2 GLU A 29 24.034 -11.924 5.460 1.00 0.00 O ATOM 0 H GLU A 29 22.577 -12.650 0.692 1.00 0.00 H new ATOM 0 HA GLU A 29 20.736 -10.933 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.766 -10.741 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.826 -9.891 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 29 22.116 -12.110 3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 23.138 -12.918 2.675 1.00 0.00 H new ATOM 441 N GLN A 30 21.987 -9.728 -0.740 1.00 0.00 N ATOM 442 CA GLN A 30 21.826 -8.662 -1.755 1.00 0.00 C ATOM 443 C GLN A 30 20.410 -8.724 -2.345 1.00 0.00 C ATOM 444 O GLN A 30 19.831 -7.691 -2.672 1.00 0.00 O ATOM 445 CB GLN A 30 22.896 -8.794 -2.879 1.00 0.00 C ATOM 446 CG GLN A 30 22.756 -7.798 -4.060 1.00 0.00 C ATOM 447 CD GLN A 30 22.832 -6.319 -3.655 1.00 0.00 C ATOM 448 OE1 GLN A 30 23.536 -5.949 -2.711 1.00 0.00 O ATOM 449 NE2 GLN A 30 22.086 -5.469 -4.351 1.00 0.00 N ATOM 0 H GLN A 30 22.514 -10.535 -1.074 1.00 0.00 H new ATOM 0 HA GLN A 30 21.971 -7.695 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 30 23.882 -8.665 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 30 22.856 -9.808 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 30 23.541 -8.004 -4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.804 -7.977 -4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 30 21.515 -5.807 -5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 30 22.084 -4.478 -4.111 1.00 0.00 H new ATOM 458 N ALA A 31 19.841 -9.944 -2.407 1.00 0.00 N ATOM 459 CA ALA A 31 18.485 -10.183 -2.934 1.00 0.00 C ATOM 460 C ALA A 31 17.434 -9.774 -1.882 1.00 0.00 C ATOM 461 O ALA A 31 16.301 -9.418 -2.232 1.00 0.00 O ATOM 462 CB ALA A 31 18.311 -11.657 -3.348 1.00 0.00 C ATOM 0 H ALA A 31 20.311 -10.793 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 31 18.340 -9.572 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.303 -11.810 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.037 -11.906 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.469 -12.299 -2.482 1.00 0.00 H new ATOM 468 N ILE A 32 17.845 -9.763 -0.593 1.00 0.00 N ATOM 469 CA ILE A 32 16.922 -9.476 0.515 1.00 0.00 C ATOM 470 C ILE A 32 16.753 -7.957 0.581 1.00 0.00 C ATOM 471 O ILE A 32 15.639 -7.448 0.472 1.00 0.00 O ATOM 472 CB ILE A 32 17.458 -10.012 1.900 1.00 0.00 C ATOM 473 CG1 ILE A 32 17.526 -11.565 1.920 1.00 0.00 C ATOM 474 CG2 ILE A 32 16.609 -9.487 3.086 1.00 0.00 C ATOM 475 CD1 ILE A 32 16.189 -12.264 1.777 1.00 0.00 C ATOM 0 H ILE A 32 18.805 -9.949 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 32 15.975 -9.983 0.331 1.00 0.00 H new ATOM 0 HB ILE A 32 18.471 -9.627 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 32 18.181 -11.896 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.987 -11.882 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 17.009 -9.878 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.643 -8.398 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.576 -9.816 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.338 -13.343 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.535 -11.969 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.731 -11.983 0.829 1.00 0.00 H new ATOM 487 N ALA A 33 17.894 -7.258 0.787 1.00 0.00 N ATOM 488 CA ALA A 33 17.995 -5.791 0.676 1.00 0.00 C ATOM 489 C ALA A 33 17.360 -5.219 -0.608 1.00 0.00 C ATOM 490 O ALA A 33 16.709 -4.192 -0.546 1.00 0.00 O ATOM 491 CB ALA A 33 19.463 -5.351 0.776 1.00 0.00 C ATOM 0 H ALA A 33 18.776 -7.705 1.037 1.00 0.00 H new ATOM 0 HA ALA A 33 17.422 -5.385 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.524 -4.266 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.872 -5.665 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.036 -5.810 -0.030 1.00 0.00 H new ATOM 497 N ASP A 34 17.587 -5.871 -1.759 1.00 0.00 N ATOM 498 CA ASP A 34 16.995 -5.452 -3.053 1.00 0.00 C ATOM 499 C ASP A 34 15.462 -5.392 -2.987 1.00 0.00 C ATOM 500 O ASP A 34 14.862 -4.345 -3.241 1.00 0.00 O ATOM 501 CB ASP A 34 17.425 -6.427 -4.171 1.00 0.00 C ATOM 502 CG ASP A 34 16.818 -6.110 -5.552 1.00 0.00 C ATOM 503 OD1 ASP A 34 17.293 -5.166 -6.217 1.00 0.00 O ATOM 504 OD2 ASP A 34 15.864 -6.809 -5.969 1.00 0.00 O ATOM 0 H ASP A 34 18.180 -6.698 -1.826 1.00 0.00 H new ATOM 0 HA ASP A 34 17.363 -4.450 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.512 -6.413 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.140 -7.439 -3.885 1.00 0.00 H new ATOM 509 N ALA A 35 14.855 -6.523 -2.615 1.00 0.00 N ATOM 510 CA ALA A 35 13.392 -6.691 -2.620 1.00 0.00 C ATOM 511 C ALA A 35 12.720 -5.913 -1.468 1.00 0.00 C ATOM 512 O ALA A 35 11.597 -5.429 -1.614 1.00 0.00 O ATOM 513 CB ALA A 35 13.043 -8.177 -2.563 1.00 0.00 C ATOM 0 H ALA A 35 15.361 -7.351 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 35 13.003 -6.272 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.960 -8.297 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.467 -8.684 -3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.453 -8.612 -1.652 1.00 0.00 H new ATOM 519 N ARG A 36 13.426 -5.814 -0.325 1.00 0.00 N ATOM 520 CA ARG A 36 13.004 -4.995 0.839 1.00 0.00 C ATOM 521 C ARG A 36 12.940 -3.518 0.432 1.00 0.00 C ATOM 522 O ARG A 36 11.936 -2.845 0.646 1.00 0.00 O ATOM 523 CB ARG A 36 13.984 -5.155 2.037 1.00 0.00 C ATOM 524 CG ARG A 36 13.638 -4.295 3.283 1.00 0.00 C ATOM 525 CD ARG A 36 14.751 -4.318 4.340 1.00 0.00 C ATOM 526 NE ARG A 36 14.399 -3.544 5.547 1.00 0.00 N ATOM 527 CZ ARG A 36 14.704 -3.896 6.808 1.00 0.00 C ATOM 528 NH1 ARG A 36 15.338 -5.032 7.071 1.00 0.00 N ATOM 529 NH2 ARG A 36 14.342 -3.113 7.811 1.00 0.00 N ATOM 0 H ARG A 36 14.310 -6.301 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 36 12.020 -5.343 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.006 -6.204 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.989 -4.897 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 36 13.458 -3.266 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.712 -4.660 3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.959 -5.350 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.667 -3.915 3.908 1.00 0.00 H new ATOM 0 HE ARG A 36 13.884 -2.674 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.603 -5.656 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.560 -5.281 8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.835 -2.248 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.570 -3.374 8.770 1.00 0.00 H new ATOM 543 N LYS A 37 14.047 -3.050 -0.168 1.00 0.00 N ATOM 544 CA LYS A 37 14.192 -1.676 -0.693 1.00 0.00 C ATOM 545 C LYS A 37 13.176 -1.399 -1.790 1.00 0.00 C ATOM 546 O LYS A 37 12.670 -0.297 -1.884 1.00 0.00 O ATOM 547 CB LYS A 37 15.626 -1.450 -1.236 1.00 0.00 C ATOM 548 CG LYS A 37 15.902 -0.080 -1.913 1.00 0.00 C ATOM 549 CD LYS A 37 17.374 0.076 -2.349 1.00 0.00 C ATOM 550 CE LYS A 37 17.815 -0.996 -3.361 1.00 0.00 C ATOM 551 NZ LYS A 37 19.252 -0.865 -3.710 1.00 0.00 N ATOM 0 H LYS A 37 14.880 -3.622 -0.306 1.00 0.00 H new ATOM 0 HA LYS A 37 14.009 -0.985 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.327 -1.570 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.846 -2.237 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.255 0.029 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.644 0.722 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.515 1.063 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.016 0.024 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.631 -1.987 -2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.212 -0.913 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.512 -1.604 -4.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.423 0.071 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.829 -0.970 -2.851 1.00 0.00 H new ATOM 565 N ALA A 38 12.830 -2.431 -2.566 1.00 0.00 N ATOM 566 CA ALA A 38 11.941 -2.282 -3.723 1.00 0.00 C ATOM 567 C ALA A 38 10.491 -2.160 -3.235 1.00 0.00 C ATOM 568 O ALA A 38 9.714 -1.370 -3.767 1.00 0.00 O ATOM 569 CB ALA A 38 12.090 -3.474 -4.680 1.00 0.00 C ATOM 0 H ALA A 38 13.155 -3.386 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 38 12.214 -1.380 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.422 -3.343 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.120 -3.531 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.834 -4.395 -4.156 1.00 0.00 H new ATOM 575 N THR A 39 10.165 -2.938 -2.176 1.00 0.00 N ATOM 576 CA THR A 39 8.845 -2.913 -1.527 1.00 0.00 C ATOM 577 C THR A 39 8.633 -1.567 -0.825 1.00 0.00 C ATOM 578 O THR A 39 7.643 -0.901 -1.084 1.00 0.00 O ATOM 579 CB THR A 39 8.681 -4.094 -0.509 1.00 0.00 C ATOM 580 OG1 THR A 39 8.815 -5.353 -1.193 1.00 0.00 O ATOM 581 CG2 THR A 39 7.321 -4.071 0.223 1.00 0.00 C ATOM 0 H THR A 39 10.815 -3.600 -1.752 1.00 0.00 H new ATOM 0 HA THR A 39 8.086 -3.038 -2.299 1.00 0.00 H new ATOM 0 HB THR A 39 9.465 -3.971 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.482 -5.264 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.266 -4.912 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.222 -3.138 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.514 -4.147 -0.506 1.00 0.00 H new ATOM 589 N ILE A 40 9.608 -1.163 0.010 1.00 0.00 N ATOM 590 CA ILE A 40 9.562 0.105 0.764 1.00 0.00 C ATOM 591 C ILE A 40 9.513 1.309 -0.195 1.00 0.00 C ATOM 592 O ILE A 40 8.543 2.032 -0.178 1.00 0.00 O ATOM 593 CB ILE A 40 10.776 0.228 1.776 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.608 -0.785 2.953 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.948 1.672 2.325 1.00 0.00 C ATOM 596 CD1 ILE A 40 9.503 -0.422 3.939 1.00 0.00 C ATOM 0 H ILE A 40 10.453 -1.708 0.182 1.00 0.00 H new ATOM 0 HA ILE A 40 8.647 0.105 1.356 1.00 0.00 H new ATOM 0 HB ILE A 40 11.682 -0.013 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.401 -1.772 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.552 -0.857 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.793 1.701 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.131 2.357 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.041 1.972 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.454 -1.177 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.717 0.550 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.548 -0.380 3.416 1.00 0.00 H new ATOM 608 N LEU A 41 10.531 1.458 -1.063 1.00 0.00 N ATOM 609 CA LEU A 41 10.658 2.601 -2.020 1.00 0.00 C ATOM 610 C LEU A 41 9.409 2.757 -2.909 1.00 0.00 C ATOM 611 O LEU A 41 9.004 3.886 -3.234 1.00 0.00 O ATOM 612 CB LEU A 41 11.991 2.468 -2.847 1.00 0.00 C ATOM 613 CG LEU A 41 12.059 3.048 -4.306 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.490 3.526 -4.655 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.578 2.007 -5.350 1.00 0.00 C ATOM 0 H LEU A 41 11.299 0.791 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 41 10.718 3.526 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.783 2.945 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.234 1.407 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 41 11.389 3.907 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.504 3.922 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.793 4.307 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 41 14.182 2.687 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.637 2.439 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.212 1.122 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.546 1.727 -5.136 1.00 0.00 H new ATOM 627 N GLN A 42 8.768 1.622 -3.250 1.00 0.00 N ATOM 628 CA GLN A 42 7.547 1.621 -4.070 1.00 0.00 C ATOM 629 C GLN A 42 6.343 2.026 -3.200 1.00 0.00 C ATOM 630 O GLN A 42 5.500 2.829 -3.621 1.00 0.00 O ATOM 631 CB GLN A 42 7.328 0.228 -4.722 1.00 0.00 C ATOM 632 CG GLN A 42 6.063 0.075 -5.599 1.00 0.00 C ATOM 633 CD GLN A 42 6.034 0.955 -6.868 1.00 0.00 C ATOM 634 OE1 GLN A 42 6.600 2.048 -6.918 1.00 0.00 O ATOM 635 NE2 GLN A 42 5.344 0.498 -7.898 1.00 0.00 N ATOM 0 H GLN A 42 9.079 0.693 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 42 7.653 2.347 -4.876 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.199 -0.004 -5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.287 -0.519 -3.929 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.971 -0.969 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.189 0.311 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.881 -0.409 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.274 1.052 -8.751 1.00 0.00 H new ATOM 644 N THR A 43 6.322 1.500 -1.954 1.00 0.00 N ATOM 645 CA THR A 43 5.294 1.818 -0.949 1.00 0.00 C ATOM 646 C THR A 43 5.332 3.315 -0.600 1.00 0.00 C ATOM 647 O THR A 43 4.295 3.914 -0.489 1.00 0.00 O ATOM 648 CB THR A 43 5.447 0.940 0.355 1.00 0.00 C ATOM 649 OG1 THR A 43 5.271 -0.450 0.032 1.00 0.00 O ATOM 650 CG2 THR A 43 4.446 1.319 1.467 1.00 0.00 C ATOM 0 H THR A 43 7.024 0.840 -1.620 1.00 0.00 H new ATOM 0 HA THR A 43 4.325 1.579 -1.387 1.00 0.00 H new ATOM 0 HB THR A 43 6.450 1.131 0.736 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.999 -0.744 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.605 0.678 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.597 2.360 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.428 1.187 1.100 1.00 0.00 H new ATOM 658 N LEU A 44 6.542 3.914 -0.537 1.00 0.00 N ATOM 659 CA LEU A 44 6.744 5.335 -0.147 1.00 0.00 C ATOM 660 C LEU A 44 6.048 6.296 -1.132 1.00 0.00 C ATOM 661 O LEU A 44 5.673 7.411 -0.763 1.00 0.00 O ATOM 662 CB LEU A 44 8.262 5.682 -0.067 1.00 0.00 C ATOM 663 CG LEU A 44 9.108 4.867 0.966 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.601 5.241 0.902 1.00 0.00 C ATOM 665 CD2 LEU A 44 8.559 4.987 2.407 1.00 0.00 C ATOM 0 H LEU A 44 7.411 3.427 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 44 6.296 5.462 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.698 5.538 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.358 6.741 0.172 1.00 0.00 H new ATOM 0 HG LEU A 44 9.017 3.819 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.155 4.654 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.986 5.033 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.720 6.302 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.182 4.403 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.570 6.033 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.537 4.610 2.439 1.00 0.00 H new ATOM 677 N ARG A 45 5.893 5.848 -2.392 1.00 0.00 N ATOM 678 CA ARG A 45 5.224 6.631 -3.442 1.00 0.00 C ATOM 679 C ARG A 45 3.722 6.286 -3.495 1.00 0.00 C ATOM 680 O ARG A 45 2.885 7.181 -3.484 1.00 0.00 O ATOM 681 CB ARG A 45 5.886 6.375 -4.814 1.00 0.00 C ATOM 682 CG ARG A 45 5.377 7.310 -5.928 1.00 0.00 C ATOM 683 CD ARG A 45 6.157 7.163 -7.240 1.00 0.00 C ATOM 684 NE ARG A 45 5.706 8.135 -8.248 1.00 0.00 N ATOM 685 CZ ARG A 45 5.493 7.869 -9.543 1.00 0.00 C ATOM 686 NH1 ARG A 45 5.672 6.641 -10.040 1.00 0.00 N ATOM 687 NH2 ARG A 45 5.094 8.840 -10.345 1.00 0.00 N ATOM 0 H ARG A 45 6.227 4.937 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 45 5.328 7.689 -3.202 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.965 6.495 -4.715 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.705 5.341 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.323 7.104 -6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.444 8.343 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.221 7.302 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.032 6.152 -7.627 1.00 0.00 H new ATOM 0 HE ARG A 45 5.542 9.092 -7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.977 5.883 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.504 6.462 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.951 9.780 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.929 8.650 -11.333 1.00 0.00 H new ATOM 701 N ILE A 46 3.400 4.975 -3.524 1.00 0.00 N ATOM 702 CA ILE A 46 1.993 4.482 -3.595 1.00 0.00 C ATOM 703 C ILE A 46 1.188 4.861 -2.326 1.00 0.00 C ATOM 704 O ILE A 46 -0.035 4.977 -2.368 1.00 0.00 O ATOM 705 CB ILE A 46 1.944 2.916 -3.816 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.638 2.532 -5.159 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.493 2.365 -3.774 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.583 1.053 -5.507 1.00 0.00 C ATOM 0 H ILE A 46 4.095 4.229 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 46 1.530 4.971 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 46 2.488 2.455 -2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.173 3.098 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.682 2.841 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.509 1.286 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.048 2.584 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.098 2.837 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.091 0.883 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.075 0.476 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.543 0.737 -5.590 1.00 0.00 H new ATOM 720 N GLU A 47 1.909 5.074 -1.219 1.00 0.00 N ATOM 721 CA GLU A 47 1.334 5.357 0.118 1.00 0.00 C ATOM 722 C GLU A 47 0.392 6.574 0.059 1.00 0.00 C ATOM 723 O GLU A 47 -0.717 6.532 0.599 1.00 0.00 O ATOM 724 CB GLU A 47 2.482 5.587 1.159 1.00 0.00 C ATOM 725 CG GLU A 47 2.267 4.990 2.566 1.00 0.00 C ATOM 726 CD GLU A 47 1.005 5.502 3.285 1.00 0.00 C ATOM 727 OE1 GLU A 47 1.058 6.591 3.895 1.00 0.00 O ATOM 728 OE2 GLU A 47 -0.038 4.809 3.258 1.00 0.00 O ATOM 0 H GLU A 47 2.929 5.056 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 47 0.747 4.496 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.402 5.171 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.637 6.661 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.208 3.905 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.138 5.216 3.181 1.00 0.00 H new ATOM 735 N ARG A 48 0.839 7.641 -0.640 1.00 0.00 N ATOM 736 CA ARG A 48 0.028 8.853 -0.825 1.00 0.00 C ATOM 737 C ARG A 48 -1.234 8.535 -1.637 1.00 0.00 C ATOM 738 O ARG A 48 -2.319 8.976 -1.276 1.00 0.00 O ATOM 739 CB ARG A 48 0.823 10.013 -1.488 1.00 0.00 C ATOM 740 CG ARG A 48 1.378 9.763 -2.903 1.00 0.00 C ATOM 741 CD ARG A 48 1.897 11.049 -3.568 1.00 0.00 C ATOM 742 NE ARG A 48 2.879 11.766 -2.736 1.00 0.00 N ATOM 743 CZ ARG A 48 3.413 12.955 -3.039 1.00 0.00 C ATOM 744 NH1 ARG A 48 3.165 13.539 -4.205 1.00 0.00 N ATOM 745 NH2 ARG A 48 4.221 13.552 -2.179 1.00 0.00 N ATOM 0 H ARG A 48 1.757 7.682 -1.083 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.260 9.195 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.174 10.888 -1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.659 10.266 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.187 9.034 -2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.596 9.326 -3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.353 10.799 -4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.055 11.709 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 48 3.173 11.324 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.559 13.081 -4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.580 14.446 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.436 13.106 -1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.629 14.458 -2.408 1.00 0.00 H new ATOM 759 N ASP A 49 -1.073 7.720 -2.703 1.00 0.00 N ATOM 760 CA ASP A 49 -2.186 7.293 -3.581 1.00 0.00 C ATOM 761 C ASP A 49 -3.249 6.525 -2.786 1.00 0.00 C ATOM 762 O ASP A 49 -4.441 6.664 -3.056 1.00 0.00 O ATOM 763 CB ASP A 49 -1.669 6.402 -4.743 1.00 0.00 C ATOM 764 CG ASP A 49 -0.660 7.120 -5.647 1.00 0.00 C ATOM 765 OD1 ASP A 49 0.513 7.262 -5.245 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.035 7.571 -6.752 1.00 0.00 O ATOM 0 H ASP A 49 -0.168 7.339 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.635 8.195 -3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.204 5.508 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.516 6.072 -5.344 1.00 0.00 H new ATOM 771 N GLU A 50 -2.788 5.727 -1.799 1.00 0.00 N ATOM 772 CA GLU A 50 -3.659 4.938 -0.914 1.00 0.00 C ATOM 773 C GLU A 50 -4.456 5.845 0.034 1.00 0.00 C ATOM 774 O GLU A 50 -5.621 5.570 0.328 1.00 0.00 O ATOM 775 CB GLU A 50 -2.826 3.894 -0.121 1.00 0.00 C ATOM 776 CG GLU A 50 -2.137 2.832 -1.006 1.00 0.00 C ATOM 777 CD GLU A 50 -3.118 2.078 -1.921 1.00 0.00 C ATOM 778 OE1 GLU A 50 -3.876 1.227 -1.418 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.162 2.347 -3.141 1.00 0.00 O ATOM 0 H GLU A 50 -1.795 5.614 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.377 4.402 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.065 4.417 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.479 3.390 0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.377 3.317 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.621 2.115 -0.367 1.00 0.00 H new ATOM 786 N ARG A 51 -3.824 6.935 0.488 1.00 0.00 N ATOM 787 CA ARG A 51 -4.458 7.911 1.389 1.00 0.00 C ATOM 788 C ARG A 51 -5.417 8.835 0.615 1.00 0.00 C ATOM 789 O ARG A 51 -6.385 9.347 1.189 1.00 0.00 O ATOM 790 CB ARG A 51 -3.389 8.741 2.139 1.00 0.00 C ATOM 791 CG ARG A 51 -2.399 7.894 2.966 1.00 0.00 C ATOM 792 CD ARG A 51 -1.549 8.733 3.925 1.00 0.00 C ATOM 793 NE ARG A 51 -2.364 9.311 5.012 1.00 0.00 N ATOM 794 CZ ARG A 51 -1.915 9.638 6.229 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.648 9.412 6.572 1.00 0.00 N ATOM 796 NH2 ARG A 51 -2.749 10.160 7.126 1.00 0.00 N ATOM 0 H ARG A 51 -2.861 7.166 0.243 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.041 7.358 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.828 9.331 1.414 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.891 9.445 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.955 7.151 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.742 7.349 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.761 8.112 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.059 9.534 3.372 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.352 9.475 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.007 8.985 5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.319 9.666 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.729 10.310 6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.408 10.410 8.054 1.00 0.00 H new ATOM 810 N LEU A 52 -5.135 9.041 -0.693 1.00 0.00 N ATOM 811 CA LEU A 52 -5.989 9.857 -1.576 1.00 0.00 C ATOM 812 C LEU A 52 -7.266 9.080 -1.943 1.00 0.00 C ATOM 813 O LEU A 52 -8.368 9.596 -1.792 1.00 0.00 O ATOM 814 CB LEU A 52 -5.206 10.326 -2.839 1.00 0.00 C ATOM 815 CG LEU A 52 -3.980 11.263 -2.563 1.00 0.00 C ATOM 816 CD1 LEU A 52 -3.246 11.641 -3.865 1.00 0.00 C ATOM 817 CD2 LEU A 52 -4.390 12.512 -1.751 1.00 0.00 C ATOM 0 H LEU A 52 -4.316 8.649 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.289 10.758 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.854 9.445 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.898 10.847 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.275 10.700 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.403 12.291 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.883 10.737 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.933 12.163 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.514 13.138 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.137 13.078 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.808 12.202 -0.793 1.00 0.00 H new ATOM 829 N ARG A 53 -7.116 7.811 -2.364 1.00 0.00 N ATOM 830 CA ARG A 53 -8.280 6.938 -2.664 1.00 0.00 C ATOM 831 C ARG A 53 -9.070 6.613 -1.377 1.00 0.00 C ATOM 832 O ARG A 53 -10.243 6.242 -1.449 1.00 0.00 O ATOM 833 CB ARG A 53 -7.841 5.638 -3.398 1.00 0.00 C ATOM 834 CG ARG A 53 -6.907 4.731 -2.579 1.00 0.00 C ATOM 835 CD ARG A 53 -6.359 3.535 -3.369 1.00 0.00 C ATOM 836 NE ARG A 53 -7.391 2.530 -3.654 1.00 0.00 N ATOM 837 CZ ARG A 53 -7.161 1.221 -3.848 1.00 0.00 C ATOM 838 NH1 ARG A 53 -5.943 0.702 -3.695 1.00 0.00 N ATOM 839 NH2 ARG A 53 -8.177 0.429 -4.155 1.00 0.00 N ATOM 0 H ARG A 53 -6.210 7.364 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.941 7.485 -3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.731 5.071 -3.671 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.340 5.911 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.071 5.325 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.446 4.362 -1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.931 3.888 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.550 3.071 -2.805 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.358 2.851 -3.709 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.163 1.302 -3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.791 -0.295 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.117 0.815 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.019 -0.567 -4.306 1.00 0.00 H new ATOM 853 N ALA A 54 -8.411 6.764 -0.204 1.00 0.00 N ATOM 854 CA ALA A 54 -9.067 6.673 1.115 1.00 0.00 C ATOM 855 C ALA A 54 -9.962 7.909 1.374 1.00 0.00 C ATOM 856 O ALA A 54 -11.044 7.787 1.954 1.00 0.00 O ATOM 857 CB ALA A 54 -8.017 6.524 2.229 1.00 0.00 C ATOM 0 H ALA A 54 -7.410 6.952 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.703 5.788 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.518 6.458 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.434 5.619 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.354 7.389 2.222 1.00 0.00 H new ATOM 863 N CYS A 55 -9.495 9.097 0.933 1.00 0.00 N ATOM 864 CA CYS A 55 -10.236 10.373 1.092 1.00 0.00 C ATOM 865 C CYS A 55 -11.028 10.734 -0.186 1.00 0.00 C ATOM 866 O CYS A 55 -11.575 11.833 -0.293 1.00 0.00 O ATOM 867 CB CYS A 55 -9.260 11.515 1.474 1.00 0.00 C ATOM 868 SG CYS A 55 -7.980 11.878 0.246 1.00 0.00 S ATOM 0 H CYS A 55 -8.598 9.202 0.458 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.959 10.244 1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -9.838 12.422 1.651 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.775 11.257 2.416 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.150 11.119 -0.795 1.00 0.00 H new ATOM 874 N ASP A 56 -11.112 9.780 -1.138 1.00 0.00 N ATOM 875 CA ASP A 56 -11.843 9.953 -2.425 1.00 0.00 C ATOM 876 C ASP A 56 -13.363 10.115 -2.204 1.00 0.00 C ATOM 877 O ASP A 56 -14.075 10.705 -3.039 1.00 0.00 O ATOM 878 CB ASP A 56 -11.554 8.739 -3.348 1.00 0.00 C ATOM 879 CG ASP A 56 -12.219 8.824 -4.739 1.00 0.00 C ATOM 880 OD1 ASP A 56 -11.688 9.534 -5.621 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.259 8.163 -4.964 1.00 0.00 O ATOM 0 H ASP A 56 -10.676 8.863 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.489 10.868 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.476 8.646 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.894 7.831 -2.851 1.00 0.00 H new ATOM 886 N TRP A 57 -13.842 9.605 -1.050 1.00 0.00 N ATOM 887 CA TRP A 57 -15.266 9.640 -0.674 1.00 0.00 C ATOM 888 C TRP A 57 -15.783 11.089 -0.494 1.00 0.00 C ATOM 889 O TRP A 57 -16.979 11.337 -0.607 1.00 0.00 O ATOM 890 CB TRP A 57 -15.517 8.799 0.610 1.00 0.00 C ATOM 891 CG TRP A 57 -15.015 9.423 1.903 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.732 9.456 2.369 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.811 10.106 2.888 1.00 0.00 C ATOM 894 NE1 TRP A 57 -13.678 10.120 3.569 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.940 10.526 3.912 1.00 0.00 C ATOM 896 CE3 TRP A 57 -17.171 10.407 2.994 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -15.386 11.227 5.030 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -17.614 11.108 4.100 1.00 0.00 C ATOM 899 CH2 TRP A 57 -16.726 11.508 5.106 1.00 0.00 C ATOM 0 H TRP A 57 -13.248 9.157 -0.353 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.830 9.196 -1.495 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.588 8.620 0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.041 7.826 0.486 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.881 9.022 1.865 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.834 10.285 4.117 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.864 10.098 2.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -14.703 11.537 5.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -18.662 11.351 4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -17.105 12.050 5.960 1.00 0.00 H new ATOM 910 N THR A 58 -14.870 12.035 -0.205 1.00 0.00 N ATOM 911 CA THR A 58 -15.213 13.466 -0.057 1.00 0.00 C ATOM 912 C THR A 58 -15.048 14.229 -1.381 1.00 0.00 C ATOM 913 O THR A 58 -15.548 15.348 -1.523 1.00 0.00 O ATOM 914 CB THR A 58 -14.341 14.141 1.044 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.949 13.907 0.788 1.00 0.00 O ATOM 916 CG2 THR A 58 -14.698 13.614 2.428 1.00 0.00 C ATOM 0 H THR A 58 -13.880 11.833 -0.068 1.00 0.00 H new ATOM 0 HA THR A 58 -16.261 13.510 0.240 1.00 0.00 H new ATOM 0 HB THR A 58 -14.542 15.212 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.819 12.975 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.074 14.103 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.747 13.824 2.638 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.529 12.538 2.462 1.00 0.00 H new ATOM 924 N GLN A 59 -14.332 13.619 -2.339 1.00 0.00 N ATOM 925 CA GLN A 59 -13.986 14.267 -3.623 1.00 0.00 C ATOM 926 C GLN A 59 -15.064 14.017 -4.688 1.00 0.00 C ATOM 927 O GLN A 59 -15.139 14.739 -5.696 1.00 0.00 O ATOM 928 CB GLN A 59 -12.595 13.772 -4.098 1.00 0.00 C ATOM 929 CG GLN A 59 -11.518 13.803 -2.993 1.00 0.00 C ATOM 930 CD GLN A 59 -11.319 15.165 -2.306 1.00 0.00 C ATOM 931 OE1 GLN A 59 -11.469 16.226 -2.920 1.00 0.00 O ATOM 932 NE2 GLN A 59 -10.985 15.142 -1.017 1.00 0.00 N ATOM 0 H GLN A 59 -13.976 12.667 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.940 15.345 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.690 12.753 -4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.265 14.389 -4.933 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.779 13.066 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.568 13.491 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.868 14.250 -0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.846 16.016 -0.510 1.00 0.00 H new ATOM 941 N VAL A 60 -15.890 12.981 -4.461 1.00 0.00 N ATOM 942 CA VAL A 60 -17.104 12.746 -5.260 1.00 0.00 C ATOM 943 C VAL A 60 -18.139 13.867 -4.984 1.00 0.00 C ATOM 944 O VAL A 60 -18.172 14.433 -3.884 1.00 0.00 O ATOM 945 CB VAL A 60 -17.732 11.328 -4.981 1.00 0.00 C ATOM 946 CG1 VAL A 60 -16.710 10.199 -5.282 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.306 11.207 -3.541 1.00 0.00 C ATOM 0 H VAL A 60 -15.737 12.290 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.821 12.766 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 60 -18.575 11.212 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -17.168 9.231 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.411 10.249 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -15.833 10.324 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.727 10.212 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.508 11.370 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -19.086 11.955 -3.396 1.00 0.00 H new ATOM 957 N GLN A 61 -18.969 14.187 -5.997 1.00 0.00 N ATOM 958 CA GLN A 61 -19.973 15.275 -5.900 1.00 0.00 C ATOM 959 C GLN A 61 -21.199 14.844 -5.067 1.00 0.00 C ATOM 960 O GLN A 61 -21.982 15.693 -4.623 1.00 0.00 O ATOM 961 CB GLN A 61 -20.402 15.756 -7.316 1.00 0.00 C ATOM 962 CG GLN A 61 -21.113 14.697 -8.185 1.00 0.00 C ATOM 963 CD GLN A 61 -21.483 15.215 -9.573 1.00 0.00 C ATOM 964 OE1 GLN A 61 -20.713 15.083 -10.525 1.00 0.00 O ATOM 965 NE2 GLN A 61 -22.647 15.834 -9.691 1.00 0.00 N ATOM 0 H GLN A 61 -18.966 13.707 -6.897 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.505 16.112 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.064 16.615 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -19.516 16.103 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.466 13.826 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.017 14.364 -7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.260 15.925 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.931 16.220 -10.592 1.00 0.00 H new ATOM 974 N ASP A 62 -21.342 13.525 -4.852 1.00 0.00 N ATOM 975 CA ASP A 62 -22.492 12.942 -4.136 1.00 0.00 C ATOM 976 C ASP A 62 -22.460 13.260 -2.619 1.00 0.00 C ATOM 977 O ASP A 62 -23.519 13.486 -2.018 1.00 0.00 O ATOM 978 CB ASP A 62 -22.544 11.409 -4.377 1.00 0.00 C ATOM 979 CG ASP A 62 -23.752 10.721 -3.709 1.00 0.00 C ATOM 980 OD1 ASP A 62 -24.903 11.051 -4.062 1.00 0.00 O ATOM 981 OD2 ASP A 62 -23.560 9.842 -2.842 1.00 0.00 O ATOM 0 H ASP A 62 -20.664 12.832 -5.169 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.398 13.399 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.575 11.219 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -21.626 10.959 -4.000 1.00 0.00 H new ATOM 986 N VAL A 63 -21.244 13.313 -2.019 1.00 0.00 N ATOM 987 CA VAL A 63 -21.076 13.507 -0.557 1.00 0.00 C ATOM 988 C VAL A 63 -21.671 14.863 -0.107 1.00 0.00 C ATOM 989 O VAL A 63 -21.485 15.886 -0.779 1.00 0.00 O ATOM 990 CB VAL A 63 -19.567 13.397 -0.112 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.706 14.563 -0.649 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.443 13.262 1.427 1.00 0.00 C ATOM 0 H VAL A 63 -20.364 13.224 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.623 12.702 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.172 12.486 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.676 14.439 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.735 14.565 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.099 15.508 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.391 13.188 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.883 14.137 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.968 12.366 1.757 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.432 14.841 1.000 1.00 0.00 N ATOM 1003 CA VAL A 64 -23.065 16.037 1.581 1.00 0.00 C ATOM 1004 C VAL A 64 -22.223 16.522 2.771 1.00 0.00 C ATOM 1005 O VAL A 64 -22.219 15.892 3.834 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.549 15.742 2.033 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -25.236 17.017 2.601 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -25.374 15.127 0.869 1.00 0.00 C ATOM 0 H VAL A 64 -22.627 13.986 1.521 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.109 16.817 0.821 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.510 15.009 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -26.256 16.777 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.678 17.377 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.257 17.791 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -26.392 14.934 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -25.396 15.824 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.913 14.192 0.551 1.00 0.00 H new ATOM 1018 N LEU A 65 -21.469 17.610 2.552 1.00 0.00 N ATOM 1019 CA LEU A 65 -20.613 18.249 3.565 1.00 0.00 C ATOM 1020 C LEU A 65 -20.674 19.771 3.365 1.00 0.00 C ATOM 1021 O LEU A 65 -21.160 20.247 2.330 1.00 0.00 O ATOM 1022 CB LEU A 65 -19.137 17.755 3.428 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.827 16.288 3.864 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -17.394 15.876 3.455 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -19.046 16.097 5.380 1.00 0.00 C ATOM 0 H LEU A 65 -21.436 18.080 1.647 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.969 17.985 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.840 17.866 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -18.503 18.421 4.013 1.00 0.00 H new ATOM 0 HG LEU A 65 -19.525 15.634 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.206 14.850 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.290 15.947 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.674 16.541 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.822 15.066 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.388 16.769 5.930 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.083 16.321 5.629 1.00 0.00 H new ATOM 1037 N THR A 66 -20.156 20.529 4.346 1.00 0.00 N ATOM 1038 CA THR A 66 -20.034 21.995 4.233 1.00 0.00 C ATOM 1039 C THR A 66 -18.885 22.364 3.268 1.00 0.00 C ATOM 1040 O THR A 66 -18.081 21.495 2.890 1.00 0.00 O ATOM 1041 CB THR A 66 -19.787 22.661 5.629 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.564 22.169 6.203 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.945 22.402 6.611 1.00 0.00 C ATOM 0 H THR A 66 -19.814 20.151 5.229 1.00 0.00 H new ATOM 0 HA THR A 66 -20.976 22.374 3.838 1.00 0.00 H new ATOM 0 HB THR A 66 -19.719 23.736 5.462 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.418 22.593 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.728 22.883 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.868 22.810 6.200 1.00 0.00 H new ATOM 0 HG23 THR A 66 -21.059 21.329 6.764 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.820 23.652 2.876 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.734 24.177 2.026 1.00 0.00 C ATOM 1053 C ALA A 67 -16.378 23.937 2.714 1.00 0.00 C ATOM 1054 O ALA A 67 -15.443 23.430 2.098 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.959 25.677 1.751 1.00 0.00 C ATOM 0 H ALA A 67 -19.514 24.353 3.138 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.733 23.654 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.153 26.057 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.912 25.814 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.971 26.222 2.695 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.324 24.297 4.010 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.156 24.076 4.893 1.00 0.00 C ATOM 1063 C ASP A 68 -14.686 22.605 4.894 1.00 0.00 C ATOM 1064 O ASP A 68 -13.501 22.342 4.751 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.476 24.514 6.348 1.00 0.00 C ATOM 1066 CG ASP A 68 -14.257 24.395 7.292 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -13.426 25.328 7.328 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -14.109 23.357 7.982 1.00 0.00 O ATOM 0 H ASP A 68 -17.101 24.757 4.484 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.347 24.687 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.826 25.546 6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.291 23.903 6.736 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.627 21.672 5.079 1.00 0.00 N ATOM 1074 CA GLN A 69 -15.327 20.219 5.114 1.00 0.00 C ATOM 1075 C GLN A 69 -14.716 19.749 3.780 1.00 0.00 C ATOM 1076 O GLN A 69 -13.613 19.206 3.747 1.00 0.00 O ATOM 1077 CB GLN A 69 -16.601 19.404 5.456 1.00 0.00 C ATOM 1078 CG GLN A 69 -17.036 19.467 6.936 1.00 0.00 C ATOM 1079 CD GLN A 69 -16.144 18.657 7.880 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -14.956 18.448 7.629 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -16.700 18.212 8.993 1.00 0.00 N ATOM 0 H GLN A 69 -16.615 21.891 5.209 1.00 0.00 H new ATOM 0 HA GLN A 69 -14.591 20.045 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.422 19.764 4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.431 18.362 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.040 20.508 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -18.060 19.104 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.685 18.397 9.180 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.144 17.684 9.665 1.00 0.00 H new ATOM 1090 N LYS A 70 -15.417 20.062 2.689 1.00 0.00 N ATOM 1091 CA LYS A 70 -15.015 19.714 1.309 1.00 0.00 C ATOM 1092 C LYS A 70 -13.702 20.416 0.904 1.00 0.00 C ATOM 1093 O LYS A 70 -12.977 19.935 0.026 1.00 0.00 O ATOM 1094 CB LYS A 70 -16.173 20.052 0.343 1.00 0.00 C ATOM 1095 CG LYS A 70 -17.381 19.097 0.473 1.00 0.00 C ATOM 1096 CD LYS A 70 -18.636 19.603 -0.268 1.00 0.00 C ATOM 1097 CE LYS A 70 -19.742 18.553 -0.368 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.921 19.057 -1.118 1.00 0.00 N ATOM 0 H LYS A 70 -16.298 20.574 2.732 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.815 18.644 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.505 21.073 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.803 20.019 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.106 18.118 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.619 18.963 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.024 20.482 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.354 19.920 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -19.353 17.662 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -20.050 18.254 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -21.648 18.314 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.309 19.892 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.633 19.318 -2.083 1.00 0.00 H new ATOM 1112 N ALA A 71 -13.398 21.537 1.587 1.00 0.00 N ATOM 1113 CA ALA A 71 -12.203 22.341 1.287 1.00 0.00 C ATOM 1114 C ALA A 71 -11.007 21.684 1.989 1.00 0.00 C ATOM 1115 O ALA A 71 -10.084 21.250 1.340 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.378 23.797 1.759 1.00 0.00 C ATOM 0 H ALA A 71 -13.966 21.904 2.350 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.040 22.374 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.479 24.366 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.233 24.244 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.546 23.813 2.836 1.00 0.00 H new ATOM 1122 N THR A 72 -11.106 21.582 3.331 1.00 0.00 N ATOM 1123 CA THR A 72 -10.108 20.936 4.223 1.00 0.00 C ATOM 1124 C THR A 72 -9.698 19.518 3.735 1.00 0.00 C ATOM 1125 O THR A 72 -8.533 19.140 3.844 1.00 0.00 O ATOM 1126 CB THR A 72 -10.652 20.860 5.691 1.00 0.00 C ATOM 1127 OG1 THR A 72 -11.076 22.170 6.119 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.587 20.341 6.672 1.00 0.00 C ATOM 0 H THR A 72 -11.905 21.957 3.843 1.00 0.00 H new ATOM 0 HA THR A 72 -9.214 21.559 4.196 1.00 0.00 H new ATOM 0 HB THR A 72 -11.490 20.163 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.975 22.352 5.774 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.006 20.304 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.273 19.341 6.373 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.726 21.010 6.662 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.665 18.763 3.188 1.00 0.00 N ATOM 1137 CA TRP A 73 -10.415 17.426 2.604 1.00 0.00 C ATOM 1138 C TRP A 73 -9.645 17.518 1.266 1.00 0.00 C ATOM 1139 O TRP A 73 -8.767 16.690 0.986 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.747 16.651 2.423 1.00 0.00 C ATOM 1141 CG TRP A 73 -12.226 15.957 3.681 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -13.271 16.306 4.493 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -11.662 14.769 4.249 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -13.397 15.404 5.512 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -12.423 14.450 5.385 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -10.594 13.940 3.898 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -12.147 13.344 6.174 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -10.322 12.841 4.685 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -11.100 12.548 5.811 1.00 0.00 C ATOM 0 H TRP A 73 -11.640 19.057 3.136 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.785 16.875 3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.517 17.345 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.620 15.908 1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -13.904 17.169 4.349 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -14.102 15.436 6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.993 14.156 3.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.741 13.120 7.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.495 12.196 4.428 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.867 11.676 6.404 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.984 18.522 0.440 1.00 0.00 N ATOM 1161 CA ALA A 74 -9.288 18.796 -0.838 1.00 0.00 C ATOM 1162 C ALA A 74 -7.907 19.440 -0.585 1.00 0.00 C ATOM 1163 O ALA A 74 -6.972 19.275 -1.378 1.00 0.00 O ATOM 1164 CB ALA A 74 -10.160 19.698 -1.727 1.00 0.00 C ATOM 0 H ALA A 74 -10.748 19.169 0.635 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.123 17.851 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.641 19.895 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.107 19.199 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.351 20.640 -1.213 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.780 20.129 0.560 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.545 20.821 0.961 1.00 0.00 C ATOM 1172 C LYS A 75 -5.622 19.819 1.659 1.00 0.00 C ATOM 1173 O LYS A 75 -4.414 20.014 1.698 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.847 22.020 1.899 1.00 0.00 C ATOM 1175 CG LYS A 75 -7.664 23.163 1.256 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.926 24.367 2.200 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.696 25.277 2.416 1.00 0.00 C ATOM 1178 NZ LYS A 75 -5.584 24.615 3.141 1.00 0.00 N ATOM 0 H LYS A 75 -8.536 20.222 1.238 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.058 21.219 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.389 21.652 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.902 22.427 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.137 23.518 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.621 22.765 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.740 24.965 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.261 23.991 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.333 25.619 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.004 26.163 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.095 25.312 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.964 23.854 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.913 24.214 2.455 1.00 0.00 H new ATOM 1192 N TYR A 76 -6.234 18.755 2.230 1.00 0.00 N ATOM 1193 CA TYR A 76 -5.514 17.574 2.732 1.00 0.00 C ATOM 1194 C TYR A 76 -4.732 16.932 1.580 1.00 0.00 C ATOM 1195 O TYR A 76 -3.565 16.600 1.738 1.00 0.00 O ATOM 1196 CB TYR A 76 -6.506 16.548 3.361 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.912 15.156 3.659 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.767 15.017 4.446 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -6.481 13.987 3.131 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.225 13.778 4.705 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.934 12.742 3.391 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.806 12.645 4.176 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.251 11.411 4.435 1.00 0.00 O ATOM 0 H TYR A 76 -7.245 18.697 2.353 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.818 17.884 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.895 16.966 4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.354 16.427 2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.298 15.898 4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.362 14.060 2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.344 13.694 5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.389 11.852 2.981 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.955 10.729 4.434 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.401 16.811 0.418 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.813 16.199 -0.787 1.00 0.00 C ATOM 1215 C ARG A 77 -3.617 17.020 -1.281 1.00 0.00 C ATOM 1216 O ARG A 77 -2.529 16.484 -1.500 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.829 16.105 -1.942 1.00 0.00 C ATOM 1218 CG ARG A 77 -7.092 15.292 -1.660 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.883 15.055 -2.949 1.00 0.00 C ATOM 1220 NE ARG A 77 -8.318 16.304 -3.607 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.677 16.404 -4.899 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.617 15.347 -5.700 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -9.092 17.559 -5.381 1.00 0.00 N ATOM 0 H ARG A 77 -6.360 17.133 0.289 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.500 15.195 -0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.126 17.116 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.327 15.671 -2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.822 14.336 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.715 15.818 -0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.269 14.482 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.759 14.448 -2.723 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.348 17.152 -3.040 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.297 14.449 -5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.891 15.433 -6.679 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.141 18.377 -4.774 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.364 17.634 -6.361 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.859 18.334 -1.444 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.893 19.277 -2.009 1.00 0.00 C ATOM 1239 C GLN A 78 -1.672 19.434 -1.081 1.00 0.00 C ATOM 1240 O GLN A 78 -0.547 19.621 -1.546 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.591 20.644 -2.281 1.00 0.00 C ATOM 1242 CG GLN A 78 -2.693 21.711 -2.949 1.00 0.00 C ATOM 1243 CD GLN A 78 -2.100 21.299 -4.310 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -0.987 21.692 -4.653 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -2.837 20.528 -5.104 1.00 0.00 N ATOM 0 H GLN A 78 -4.743 18.770 -1.182 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.525 18.887 -2.958 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.460 20.472 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.961 21.041 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.275 22.623 -3.084 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.875 21.953 -2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.758 20.214 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.481 20.251 -6.019 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.914 19.324 0.230 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.849 19.356 1.250 1.00 0.00 C ATOM 1256 C ALA A 79 -0.094 18.018 1.304 1.00 0.00 C ATOM 1257 O ALA A 79 1.106 17.987 1.580 1.00 0.00 O ATOM 1258 CB ALA A 79 -1.444 19.693 2.622 1.00 0.00 C ATOM 0 H ALA A 79 -2.851 19.210 0.618 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.135 20.132 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.649 19.714 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.927 20.669 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.179 18.936 2.896 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.804 16.916 1.017 1.00 0.00 N ATOM 1265 CA LEU A 80 -0.251 15.549 1.086 1.00 0.00 C ATOM 1266 C LEU A 80 0.778 15.367 -0.046 1.00 0.00 C ATOM 1267 O LEU A 80 1.899 14.909 0.188 1.00 0.00 O ATOM 1268 CB LEU A 80 -1.423 14.515 0.995 1.00 0.00 C ATOM 1269 CG LEU A 80 -1.194 13.082 1.583 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.495 12.265 1.581 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -0.099 12.322 0.836 1.00 0.00 C ATOM 0 H LEU A 80 -1.782 16.945 0.729 1.00 0.00 H new ATOM 0 HA LEU A 80 0.262 15.383 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.288 14.947 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.689 14.405 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.865 13.218 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.304 11.275 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.245 12.773 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.861 12.166 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.025 11.334 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.379 12.218 -0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.839 12.872 0.908 1.00 0.00 H new ATOM 1283 N ARG A 81 0.370 15.758 -1.268 1.00 0.00 N ATOM 1284 CA ARG A 81 1.229 15.694 -2.464 1.00 0.00 C ATOM 1285 C ARG A 81 2.379 16.718 -2.388 1.00 0.00 C ATOM 1286 O ARG A 81 3.438 16.516 -2.997 1.00 0.00 O ATOM 1287 CB ARG A 81 0.404 15.896 -3.769 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.383 17.230 -3.859 1.00 0.00 C ATOM 1289 CD ARG A 81 -0.683 17.666 -5.304 1.00 0.00 C ATOM 1290 NE ARG A 81 0.558 18.047 -6.002 1.00 0.00 N ATOM 1291 CZ ARG A 81 0.661 18.415 -7.282 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -0.391 18.461 -8.080 1.00 0.00 N ATOM 1293 NH2 ARG A 81 1.854 18.741 -7.762 1.00 0.00 N ATOM 0 H ARG A 81 -0.563 16.126 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 81 1.666 14.696 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.082 15.836 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.301 15.071 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.322 17.126 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.188 18.014 -3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.173 16.853 -5.840 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.376 18.507 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 81 1.419 18.028 -5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.313 18.212 -7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.281 18.746 -9.053 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.674 18.708 -7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.951 19.024 -8.737 1.00 0.00 H new ATOM 1307 N ASP A 82 2.143 17.813 -1.633 1.00 0.00 N ATOM 1308 CA ASP A 82 3.126 18.893 -1.424 1.00 0.00 C ATOM 1309 C ASP A 82 4.345 18.366 -0.648 1.00 0.00 C ATOM 1310 O ASP A 82 5.493 18.602 -1.044 1.00 0.00 O ATOM 1311 CB ASP A 82 2.472 20.065 -0.655 1.00 0.00 C ATOM 1312 CG ASP A 82 3.390 21.285 -0.479 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.452 22.127 -1.398 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.047 21.415 0.581 1.00 0.00 O ATOM 0 H ASP A 82 1.259 17.971 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 82 3.462 19.252 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.570 20.375 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.160 19.712 0.328 1.00 0.00 H new ATOM 1319 N LEU A 83 4.082 17.654 0.468 1.00 0.00 N ATOM 1320 CA LEU A 83 5.143 17.015 1.273 1.00 0.00 C ATOM 1321 C LEU A 83 5.700 15.788 0.506 1.00 0.00 C ATOM 1322 O LEU A 83 4.921 14.975 0.006 1.00 0.00 O ATOM 1323 CB LEU A 83 4.641 16.645 2.706 1.00 0.00 C ATOM 1324 CG LEU A 83 4.588 17.827 3.736 1.00 0.00 C ATOM 1325 CD1 LEU A 83 3.492 18.854 3.398 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.460 17.309 5.190 1.00 0.00 C ATOM 0 H LEU A 83 3.141 17.507 0.832 1.00 0.00 H new ATOM 0 HA LEU A 83 5.956 17.726 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.642 16.216 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.289 15.866 3.108 1.00 0.00 H new ATOM 0 HG LEU A 83 5.539 18.353 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.498 19.651 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.681 19.277 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.519 18.362 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.426 18.155 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.545 16.725 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.319 16.682 5.430 1.00 0.00 H new ATOM 1453 N GLN A 92 11.965 7.581 5.263 1.00 0.00 N ATOM 1454 CA GLN A 92 10.555 7.599 5.713 1.00 0.00 C ATOM 1455 C GLN A 92 9.782 8.816 5.153 1.00 0.00 C ATOM 1456 O GLN A 92 10.334 9.917 5.019 1.00 0.00 O ATOM 1457 CB GLN A 92 10.506 7.579 7.268 1.00 0.00 C ATOM 1458 CG GLN A 92 11.275 8.728 7.953 1.00 0.00 C ATOM 1459 CD GLN A 92 11.328 8.625 9.481 1.00 0.00 C ATOM 1460 OE1 GLN A 92 11.329 7.533 10.051 1.00 0.00 O ATOM 1461 NE2 GLN A 92 11.384 9.763 10.150 1.00 0.00 N ATOM 0 HA GLN A 92 10.062 6.708 5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.464 7.618 7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.911 6.630 7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.294 8.750 7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.810 9.675 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.381 10.651 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.430 9.754 11.169 1.00 0.00 H new ATOM 1470 N ILE A 93 8.505 8.593 4.818 1.00 0.00 N ATOM 1471 CA ILE A 93 7.622 9.621 4.239 1.00 0.00 C ATOM 1472 C ILE A 93 6.793 10.321 5.341 1.00 0.00 C ATOM 1473 O ILE A 93 6.257 9.659 6.233 1.00 0.00 O ATOM 1474 CB ILE A 93 6.703 9.010 3.083 1.00 0.00 C ATOM 1475 CG1 ILE A 93 6.239 7.520 3.353 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.429 9.092 1.715 1.00 0.00 C ATOM 1477 CD1 ILE A 93 5.269 7.289 4.497 1.00 0.00 C ATOM 0 H ILE A 93 8.049 7.689 4.941 1.00 0.00 H new ATOM 0 HA ILE A 93 8.245 10.385 3.774 1.00 0.00 H new ATOM 0 HB ILE A 93 5.799 9.619 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.781 7.139 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.129 6.918 3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.790 8.672 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.648 10.134 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.360 8.528 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.037 6.226 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.721 7.625 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.352 7.849 4.315 1.00 0.00 H new ATOM 1489 N VAL A 94 6.746 11.668 5.318 1.00 0.00 N ATOM 1490 CA VAL A 94 5.884 12.461 6.200 1.00 0.00 C ATOM 1491 C VAL A 94 4.985 13.366 5.340 1.00 0.00 C ATOM 1492 O VAL A 94 5.455 14.053 4.427 1.00 0.00 O ATOM 1493 CB VAL A 94 6.723 13.315 7.232 1.00 0.00 C ATOM 1494 CG1 VAL A 94 7.702 14.299 6.532 1.00 0.00 C ATOM 1495 CG2 VAL A 94 5.802 14.040 8.247 1.00 0.00 C ATOM 0 H VAL A 94 7.309 12.233 4.683 1.00 0.00 H new ATOM 0 HA VAL A 94 5.266 11.781 6.787 1.00 0.00 H new ATOM 0 HB VAL A 94 7.342 12.615 7.793 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.254 14.861 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.402 13.737 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.138 14.990 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.411 14.618 8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.127 14.709 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.220 13.303 8.801 1.00 0.00 H new ATOM 1505 N TRP A 95 3.685 13.256 5.588 1.00 0.00 N ATOM 1506 CA TRP A 95 2.636 14.102 5.004 1.00 0.00 C ATOM 1507 C TRP A 95 1.579 14.386 6.088 1.00 0.00 C ATOM 1508 O TRP A 95 1.585 13.694 7.119 1.00 0.00 O ATOM 1509 CB TRP A 95 2.039 13.457 3.713 1.00 0.00 C ATOM 1510 CG TRP A 95 2.078 11.955 3.661 1.00 0.00 C ATOM 1511 CD1 TRP A 95 1.513 11.072 4.540 1.00 0.00 C ATOM 1512 CD2 TRP A 95 2.704 11.174 2.643 1.00 0.00 C ATOM 1513 NE1 TRP A 95 1.775 9.795 4.134 1.00 0.00 N ATOM 1514 CE2 TRP A 95 2.495 9.840 2.975 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.425 11.487 1.472 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 2.971 8.819 2.202 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 3.897 10.454 0.693 1.00 0.00 C ATOM 1518 CH2 TRP A 95 3.666 9.125 1.068 1.00 0.00 C ATOM 0 H TRP A 95 3.313 12.551 6.224 1.00 0.00 H new ATOM 0 HA TRP A 95 3.055 15.054 4.679 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.003 13.780 3.613 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.579 13.847 2.850 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.947 11.343 5.419 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.481 8.946 4.617 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.603 12.515 1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.801 7.790 2.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.448 10.670 -0.211 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.045 8.326 0.448 1.00 0.00 H new ATOM 1529 N PRO A 96 0.669 15.406 5.913 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.373 15.717 6.920 1.00 0.00 C ATOM 1531 C PRO A 96 -1.320 14.528 7.194 1.00 0.00 C ATOM 1532 O PRO A 96 -1.534 13.661 6.337 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.146 16.921 6.304 1.00 0.00 C ATOM 1534 CG PRO A 96 -0.849 16.842 4.843 1.00 0.00 C ATOM 1535 CD PRO A 96 0.575 16.342 4.759 1.00 0.00 C ATOM 0 HA PRO A 96 0.067 15.941 7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.216 16.847 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.810 17.868 6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.536 16.164 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.954 17.816 4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.771 15.837 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.294 17.157 4.840 1.00 0.00 H new ATOM 1543 N GLN A 97 -1.802 14.481 8.432 1.00 0.00 N ATOM 1544 CA GLN A 97 -2.917 13.624 8.840 1.00 0.00 C ATOM 1545 C GLN A 97 -4.230 14.299 8.407 1.00 0.00 C ATOM 1546 O GLN A 97 -4.314 15.538 8.409 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.873 13.385 10.383 1.00 0.00 C ATOM 1548 CG GLN A 97 -4.094 12.641 10.968 1.00 0.00 C ATOM 1549 CD GLN A 97 -4.368 11.292 10.313 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -3.451 10.598 9.867 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -5.636 10.934 10.210 1.00 0.00 N ATOM 0 H GLN A 97 -1.425 15.045 9.194 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.846 12.648 8.361 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.973 12.817 10.621 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.782 14.350 10.882 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.937 12.490 12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.977 13.272 10.861 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.368 11.534 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.883 10.058 9.750 1.00 0.00 H new ATOM 1560 N LEU A 98 -5.239 13.493 8.027 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.545 14.012 7.589 1.00 0.00 C ATOM 1562 C LEU A 98 -7.317 14.611 8.786 1.00 0.00 C ATOM 1563 O LEU A 98 -7.100 14.171 9.925 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.327 12.906 6.799 1.00 0.00 C ATOM 1565 CG LEU A 98 -7.469 11.476 7.427 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -8.586 11.405 8.486 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -7.678 10.402 6.330 1.00 0.00 C ATOM 0 H LEU A 98 -5.172 12.475 8.015 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.408 14.837 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.332 13.284 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.844 12.792 5.828 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.531 11.266 7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.642 10.394 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.368 12.105 9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.540 11.666 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.773 9.421 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.585 10.627 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.823 10.402 5.654 1.00 0.00 H new ATOM 1579 N PRO A 99 -8.225 15.628 8.542 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.818 16.488 9.616 1.00 0.00 C ATOM 1581 C PRO A 99 -9.518 15.701 10.754 1.00 0.00 C ATOM 1582 O PRO A 99 -9.595 16.181 11.893 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.833 17.381 8.838 1.00 0.00 C ATOM 1584 CG PRO A 99 -10.077 16.658 7.546 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.756 16.026 7.203 1.00 0.00 C ATOM 0 HA PRO A 99 -8.044 17.046 10.144 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.758 17.508 9.400 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.428 18.377 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.859 15.906 7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.402 17.344 6.764 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.877 15.167 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.092 16.726 6.696 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.014 14.497 10.423 1.00 0.00 N ATOM 1594 CA VAL A 100 -10.698 13.615 11.385 1.00 0.00 C ATOM 1595 C VAL A 100 -9.646 12.894 12.266 1.00 0.00 C ATOM 1596 O VAL A 100 -8.906 12.028 11.745 1.00 0.00 O ATOM 1597 CB VAL A 100 -11.650 12.587 10.663 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -12.485 11.765 11.690 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -12.558 13.315 9.641 1.00 0.00 C ATOM 1600 OXT VAL A 100 -9.531 13.227 13.460 1.00 0.00 O ATOM 0 H VAL A 100 -9.952 14.108 9.482 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.334 14.227 12.025 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.031 11.876 10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -13.130 11.066 11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.813 11.211 12.345 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -13.097 12.442 12.286 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -13.209 12.590 9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.166 14.057 10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.939 13.810 8.893 1.00 0.00 H new