USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 688 hydrogens (22 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: T 69 SER OG : rot 115:sc= 0.986 USER MOD Set 1.2: T 71 THR OG1 : rot 180:sc= 0.86 USER MOD Single : T 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 1 MET N :NH3+ -164:sc= -0.0048 (180deg=-0.372) USER MOD Single : T 5 TYR OH : rot 180:sc= 0 USER MOD Single : T 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 11 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : T 13 THR OG1 : rot 180:sc= 0 USER MOD Single : T 16 GLN : amide:sc= -8.4! C(o=-8.4!,f=-18!) USER MOD Single : T 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 18 ASN :FLIP amide:sc= -1.79 F(o=-6.5!,f=-1.8) USER MOD Single : T 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 SER OG : rot 1:sc= 0.253! USER MOD Single : T 37 SER OG : rot 180:sc= -0.0183 USER MOD Single : T 38 THR OG1 : rot -160:sc= 0 USER MOD Single : T 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 43 LYS NZ :NH3+ 177:sc= 0.993 (180deg=0.951) USER MOD Single : T 45 MET CE :methyl 180:sc= -0.713 (180deg=-0.713) USER MOD Single : T 47 MET CE :methyl -158:sc= -0.114 (180deg=-1.37) USER MOD Single : T 50 GLN : amide:sc= -3.99! C(o=-4!,f=-4.1!) USER MOD Single : T 51 ASN : amide:sc= -0.665 X(o=-0.66,f=-1.1) USER MOD Single : T 53 THR OG1 : rot 180:sc= 0.128 USER MOD Single : T 58 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3!) USER MOD Single : T 60 MET CE :methyl 156:sc= 0 (180deg=-0.000116) USER MOD Single : T 80 MET CE :methyl -165:sc= -0.644 (180deg=-1.06) USER MOD Single : T 81 MET CE :methyl 176:sc= -5.44! (180deg=-5.61!) USER MOD Single : T 84 SER OG : rot 105:sc= 1.22 USER MOD Single : T 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : T 86 LYS NZ :NH3+ -163:sc= -0.0675 (180deg=-0.535) USER MOD Single : T 89 SER OG : rot 27:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 1 N MET T 1 76.739 -17.762 8.272 1.00 0.00 N ATOM 2 CA MET T 1 76.013 -18.306 7.091 1.00 0.00 C ATOM 3 C MET T 1 75.592 -17.157 6.181 1.00 0.00 C ATOM 4 O MET T 1 75.723 -17.239 4.960 1.00 0.00 O ATOM 5 CB MET T 1 74.777 -19.076 7.565 1.00 0.00 C ATOM 6 CG MET T 1 75.217 -20.319 8.340 1.00 0.00 C ATOM 7 SD MET T 1 73.763 -21.307 8.772 1.00 0.00 S ATOM 8 CE MET T 1 73.714 -22.310 7.267 1.00 0.00 C ATOM 0 H1 MET T 1 77.256 -18.530 8.746 1.00 0.00 H new ATOM 0 H2 MET T 1 77.412 -17.033 7.960 1.00 0.00 H new ATOM 0 H3 MET T 1 76.057 -17.343 8.936 1.00 0.00 H new ATOM 0 HA MET T 1 76.666 -18.981 6.537 1.00 0.00 H new ATOM 0 HB2 MET T 1 74.159 -18.439 8.198 1.00 0.00 H new ATOM 0 HB3 MET T 1 74.165 -19.365 6.710 1.00 0.00 H new ATOM 0 HG2 MET T 1 75.906 -20.911 7.738 1.00 0.00 H new ATOM 0 HG3 MET T 1 75.753 -20.027 9.243 1.00 0.00 H new ATOM 0 HE1 MET T 1 72.876 -23.005 7.320 1.00 0.00 H new ATOM 0 HE2 MET T 1 73.593 -21.660 6.400 1.00 0.00 H new ATOM 0 HE3 MET T 1 74.644 -22.870 7.173 1.00 0.00 H new ATOM 20 N ASP T 2 75.085 -16.086 6.783 1.00 0.00 N ATOM 21 CA ASP T 2 74.650 -14.926 6.015 1.00 0.00 C ATOM 22 C ASP T 2 73.768 -15.359 4.848 1.00 0.00 C ATOM 23 O ASP T 2 74.107 -15.136 3.686 1.00 0.00 O ATOM 24 CB ASP T 2 75.866 -14.166 5.484 1.00 0.00 C ATOM 25 CG ASP T 2 76.800 -13.805 6.635 1.00 0.00 C ATOM 26 OD1 ASP T 2 76.495 -14.176 7.757 1.00 0.00 O ATOM 27 OD2 ASP T 2 77.805 -13.163 6.378 1.00 0.00 O ATOM 0 H ASP T 2 74.966 -15.998 7.792 1.00 0.00 H new ATOM 0 HA ASP T 2 74.073 -14.274 6.670 1.00 0.00 H new ATOM 0 HB2 ASP T 2 76.396 -14.777 4.753 1.00 0.00 H new ATOM 0 HB3 ASP T 2 75.543 -13.261 4.969 1.00 0.00 H new ATOM 32 N ASP T 3 72.637 -15.981 5.165 1.00 0.00 N ATOM 33 CA ASP T 3 71.713 -16.445 4.134 1.00 0.00 C ATOM 34 C ASP T 3 70.834 -15.299 3.640 1.00 0.00 C ATOM 35 O ASP T 3 70.871 -14.940 2.464 1.00 0.00 O ATOM 36 CB ASP T 3 70.830 -17.563 4.690 1.00 0.00 C ATOM 37 CG ASP T 3 71.692 -18.746 5.118 1.00 0.00 C ATOM 38 OD1 ASP T 3 72.413 -19.261 4.279 1.00 0.00 O ATOM 39 OD2 ASP T 3 71.619 -19.119 6.276 1.00 0.00 O ATOM 0 H ASP T 3 72.339 -16.175 6.121 1.00 0.00 H new ATOM 0 HA ASP T 3 72.298 -16.824 3.296 1.00 0.00 H new ATOM 0 HB2 ASP T 3 70.256 -17.195 5.540 1.00 0.00 H new ATOM 0 HB3 ASP T 3 70.112 -17.881 3.934 1.00 0.00 H new ATOM 44 N ILE T 4 70.040 -14.735 4.545 1.00 0.00 N ATOM 45 CA ILE T 4 69.149 -13.635 4.189 1.00 0.00 C ATOM 46 C ILE T 4 69.860 -12.611 3.305 1.00 0.00 C ATOM 47 O ILE T 4 69.215 -11.777 2.670 1.00 0.00 O ATOM 48 CB ILE T 4 68.607 -12.952 5.453 1.00 0.00 C ATOM 49 CG1 ILE T 4 69.718 -12.163 6.172 1.00 0.00 C ATOM 50 CG2 ILE T 4 68.035 -14.009 6.400 1.00 0.00 C ATOM 51 CD1 ILE T 4 70.922 -13.066 6.475 1.00 0.00 C ATOM 0 H ILE T 4 69.995 -15.019 5.524 1.00 0.00 H new ATOM 0 HA ILE T 4 68.315 -14.052 3.625 1.00 0.00 H new ATOM 0 HB ILE T 4 67.823 -12.254 5.159 1.00 0.00 H new ATOM 0 HG12 ILE T 4 70.034 -11.324 5.551 1.00 0.00 H new ATOM 0 HG13 ILE T 4 69.330 -11.744 7.100 1.00 0.00 H new ATOM 0 HG21 ILE T 4 67.650 -13.524 7.297 1.00 0.00 H new ATOM 0 HG22 ILE T 4 67.227 -14.544 5.902 1.00 0.00 H new ATOM 0 HG23 ILE T 4 68.820 -14.713 6.676 1.00 0.00 H new ATOM 0 HD11 ILE T 4 71.693 -12.486 6.983 1.00 0.00 H new ATOM 0 HD12 ILE T 4 70.607 -13.890 7.115 1.00 0.00 H new ATOM 0 HD13 ILE T 4 71.322 -13.464 5.542 1.00 0.00 H new ATOM 63 N TYR T 5 71.189 -12.677 3.267 1.00 0.00 N ATOM 64 CA TYR T 5 71.975 -11.749 2.455 1.00 0.00 C ATOM 65 C TYR T 5 72.197 -12.320 1.057 1.00 0.00 C ATOM 66 O TYR T 5 72.015 -11.625 0.057 1.00 0.00 O ATOM 67 CB TYR T 5 73.329 -11.489 3.122 1.00 0.00 C ATOM 68 CG TYR T 5 73.138 -10.600 4.331 1.00 0.00 C ATOM 69 CD1 TYR T 5 72.764 -9.261 4.158 1.00 0.00 C ATOM 70 CD2 TYR T 5 73.332 -11.111 5.621 1.00 0.00 C ATOM 71 CE1 TYR T 5 72.586 -8.434 5.275 1.00 0.00 C ATOM 72 CE2 TYR T 5 73.153 -10.284 6.736 1.00 0.00 C ATOM 73 CZ TYR T 5 72.781 -8.945 6.563 1.00 0.00 C ATOM 74 OH TYR T 5 72.605 -8.131 7.662 1.00 0.00 O ATOM 0 H TYR T 5 71.742 -13.359 3.786 1.00 0.00 H new ATOM 0 HA TYR T 5 71.425 -10.812 2.371 1.00 0.00 H new ATOM 0 HB2 TYR T 5 73.786 -12.433 3.421 1.00 0.00 H new ATOM 0 HB3 TYR T 5 74.009 -11.016 2.414 1.00 0.00 H new ATOM 0 HD1 TYR T 5 72.613 -8.866 3.164 1.00 0.00 H new ATOM 0 HD2 TYR T 5 73.620 -12.143 5.755 1.00 0.00 H new ATOM 0 HE1 TYR T 5 72.298 -7.402 5.142 1.00 0.00 H new ATOM 0 HE2 TYR T 5 73.302 -10.679 7.730 1.00 0.00 H new ATOM 0 HH TYR T 5 72.779 -8.643 8.479 1.00 0.00 H new ATOM 84 N LYS T 6 72.591 -13.587 0.997 1.00 0.00 N ATOM 85 CA LYS T 6 72.834 -14.241 -0.283 1.00 0.00 C ATOM 86 C LYS T 6 71.524 -14.439 -1.040 1.00 0.00 C ATOM 87 O LYS T 6 71.516 -14.568 -2.264 1.00 0.00 O ATOM 88 CB LYS T 6 73.508 -15.603 -0.060 1.00 0.00 C ATOM 89 CG LYS T 6 74.815 -15.432 0.739 1.00 0.00 C ATOM 90 CD LYS T 6 75.987 -15.093 -0.203 1.00 0.00 C ATOM 91 CE LYS T 6 76.322 -16.289 -1.115 1.00 0.00 C ATOM 92 NZ LYS T 6 77.788 -16.308 -1.377 1.00 0.00 N ATOM 0 H LYS T 6 72.748 -14.178 1.813 1.00 0.00 H new ATOM 0 HA LYS T 6 73.492 -13.604 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS T 6 72.831 -16.267 0.477 1.00 0.00 H new ATOM 0 HB3 LYS T 6 73.720 -16.072 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS T 6 74.695 -14.640 1.478 1.00 0.00 H new ATOM 0 HG3 LYS T 6 75.035 -16.348 1.287 1.00 0.00 H new ATOM 0 HD2 LYS T 6 75.730 -14.226 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS T 6 76.864 -14.821 0.384 1.00 0.00 H new ATOM 0 HE2 LYS T 6 76.013 -17.221 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS T 6 75.773 -16.211 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS T 6 78.020 -17.114 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS T 6 78.069 -15.423 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS T 6 78.300 -16.401 -0.477 1.00 0.00 H new ATOM 106 N ALA T 7 70.418 -14.462 -0.302 1.00 0.00 N ATOM 107 CA ALA T 7 69.108 -14.644 -0.914 1.00 0.00 C ATOM 108 C ALA T 7 68.754 -13.447 -1.791 1.00 0.00 C ATOM 109 O ALA T 7 68.065 -13.587 -2.801 1.00 0.00 O ATOM 110 CB ALA T 7 68.043 -14.815 0.172 1.00 0.00 C ATOM 0 H ALA T 7 70.403 -14.358 0.713 1.00 0.00 H new ATOM 0 HA ALA T 7 69.140 -15.539 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA T 7 67.067 -14.950 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA T 7 68.280 -15.689 0.779 1.00 0.00 H new ATOM 0 HB3 ALA T 7 68.023 -13.928 0.805 1.00 0.00 H new ATOM 116 N ALA T 8 69.232 -12.270 -1.398 1.00 0.00 N ATOM 117 CA ALA T 8 68.959 -11.055 -2.156 1.00 0.00 C ATOM 118 C ALA T 8 69.860 -10.978 -3.384 1.00 0.00 C ATOM 119 O ALA T 8 69.424 -10.574 -4.463 1.00 0.00 O ATOM 120 CB ALA T 8 69.189 -9.827 -1.274 1.00 0.00 C ATOM 0 H ALA T 8 69.806 -12.133 -0.566 1.00 0.00 H new ATOM 0 HA ALA T 8 67.919 -11.077 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA T 8 68.983 -8.923 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA T 8 68.524 -9.869 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA T 8 70.224 -9.812 -0.933 1.00 0.00 H new ATOM 126 N VAL T 9 71.120 -11.366 -3.213 1.00 0.00 N ATOM 127 CA VAL T 9 72.075 -11.337 -4.316 1.00 0.00 C ATOM 128 C VAL T 9 71.508 -12.058 -5.535 1.00 0.00 C ATOM 129 O VAL T 9 71.889 -11.772 -6.670 1.00 0.00 O ATOM 130 CB VAL T 9 73.384 -12.002 -3.891 1.00 0.00 C ATOM 131 CG1 VAL T 9 74.357 -12.015 -5.071 1.00 0.00 C ATOM 132 CG2 VAL T 9 74.001 -11.216 -2.732 1.00 0.00 C ATOM 0 H VAL T 9 71.502 -11.702 -2.329 1.00 0.00 H new ATOM 0 HA VAL T 9 72.265 -10.297 -4.579 1.00 0.00 H new ATOM 0 HB VAL T 9 73.185 -13.025 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL T 9 75.290 -12.489 -4.768 1.00 0.00 H new ATOM 0 HG12 VAL T 9 73.918 -12.573 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL T 9 74.557 -10.992 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL T 9 74.935 -11.689 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL T 9 74.200 -10.193 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL T 9 73.309 -11.205 -1.890 1.00 0.00 H new ATOM 142 N GLU T 10 70.596 -12.994 -5.291 1.00 0.00 N ATOM 143 CA GLU T 10 69.982 -13.749 -6.377 1.00 0.00 C ATOM 144 C GLU T 10 68.953 -12.896 -7.109 1.00 0.00 C ATOM 145 O GLU T 10 68.671 -13.118 -8.286 1.00 0.00 O ATOM 146 CB GLU T 10 69.307 -15.005 -5.824 1.00 0.00 C ATOM 147 CG GLU T 10 70.346 -15.874 -5.114 1.00 0.00 C ATOM 148 CD GLU T 10 71.240 -16.563 -6.140 1.00 0.00 C ATOM 149 OE1 GLU T 10 70.705 -17.088 -7.104 1.00 0.00 O ATOM 150 OE2 GLU T 10 72.444 -16.556 -5.948 1.00 0.00 O ATOM 0 H GLU T 10 70.268 -13.246 -4.359 1.00 0.00 H new ATOM 0 HA GLU T 10 70.763 -14.037 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU T 10 68.514 -14.728 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU T 10 68.841 -15.566 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU T 10 70.951 -15.260 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU T 10 69.847 -16.620 -4.496 1.00 0.00 H new ATOM 157 N GLN T 11 68.394 -11.917 -6.404 1.00 0.00 N ATOM 158 CA GLN T 11 67.395 -11.035 -6.997 1.00 0.00 C ATOM 159 C GLN T 11 68.062 -9.994 -7.890 1.00 0.00 C ATOM 160 O GLN T 11 67.453 -9.491 -8.834 1.00 0.00 O ATOM 161 CB GLN T 11 66.600 -10.332 -5.896 1.00 0.00 C ATOM 162 CG GLN T 11 65.948 -11.377 -4.988 1.00 0.00 C ATOM 163 CD GLN T 11 64.965 -10.702 -4.039 1.00 0.00 C ATOM 164 OE1 GLN T 11 64.844 -9.476 -4.037 1.00 0.00 O ATOM 165 NE2 GLN T 11 64.250 -11.432 -3.227 1.00 0.00 N ATOM 0 H GLN T 11 68.614 -11.715 -5.429 1.00 0.00 H new ATOM 0 HA GLN T 11 66.719 -11.638 -7.604 1.00 0.00 H new ATOM 0 HB2 GLN T 11 67.258 -9.688 -5.313 1.00 0.00 H new ATOM 0 HB3 GLN T 11 65.836 -9.691 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN T 11 65.430 -12.123 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN T 11 66.713 -11.904 -4.418 1.00 0.00 H new ATOM 0 HE21 GLN T 11 64.352 -12.447 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN T 11 63.590 -10.988 -2.589 1.00 0.00 H new ATOM 174 N LEU T 12 69.316 -9.675 -7.585 1.00 0.00 N ATOM 175 CA LEU T 12 70.056 -8.693 -8.367 1.00 0.00 C ATOM 176 C LEU T 12 70.438 -9.267 -9.728 1.00 0.00 C ATOM 177 O LEU T 12 71.157 -10.264 -9.811 1.00 0.00 O ATOM 178 CB LEU T 12 71.319 -8.267 -7.614 1.00 0.00 C ATOM 179 CG LEU T 12 70.989 -8.063 -6.133 1.00 0.00 C ATOM 180 CD1 LEU T 12 72.232 -7.553 -5.401 1.00 0.00 C ATOM 181 CD2 LEU T 12 69.859 -7.037 -5.995 1.00 0.00 C ATOM 0 H LEU T 12 69.837 -10.079 -6.807 1.00 0.00 H new ATOM 0 HA LEU T 12 69.417 -7.824 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU T 12 72.093 -9.026 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU T 12 71.715 -7.345 -8.039 1.00 0.00 H new ATOM 0 HG LEU T 12 70.672 -9.011 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU T 12 71.999 -7.407 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU T 12 73.036 -8.283 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU T 12 72.548 -6.605 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU T 12 69.625 -6.893 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU T 12 70.174 -6.088 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU T 12 68.973 -7.399 -6.517 1.00 0.00 H new ATOM 193 N THR T 13 69.954 -8.633 -10.790 1.00 0.00 N ATOM 194 CA THR T 13 70.251 -9.088 -12.143 1.00 0.00 C ATOM 195 C THR T 13 71.661 -8.670 -12.547 1.00 0.00 C ATOM 196 O THR T 13 72.240 -7.756 -11.962 1.00 0.00 O ATOM 197 CB THR T 13 69.235 -8.498 -13.125 1.00 0.00 C ATOM 198 OG1 THR T 13 67.930 -8.605 -12.575 1.00 0.00 O ATOM 199 CG2 THR T 13 69.293 -9.257 -14.453 1.00 0.00 C ATOM 0 H THR T 13 69.358 -7.807 -10.741 1.00 0.00 H new ATOM 0 HA THR T 13 70.187 -10.176 -12.167 1.00 0.00 H new ATOM 0 HB THR T 13 69.473 -7.449 -13.302 1.00 0.00 H new ATOM 0 HG1 THR T 13 67.279 -8.226 -13.202 1.00 0.00 H new ATOM 0 HG21 THR T 13 68.568 -8.832 -15.147 1.00 0.00 H new ATOM 0 HG22 THR T 13 70.294 -9.172 -14.877 1.00 0.00 H new ATOM 0 HG23 THR T 13 69.059 -10.308 -14.282 1.00 0.00 H new ATOM 207 N GLU T 14 72.209 -9.345 -13.552 1.00 0.00 N ATOM 208 CA GLU T 14 73.553 -9.032 -14.026 1.00 0.00 C ATOM 209 C GLU T 14 73.597 -7.630 -14.628 1.00 0.00 C ATOM 210 O GLU T 14 74.625 -7.204 -15.154 1.00 0.00 O ATOM 211 CB GLU T 14 73.987 -10.054 -15.079 1.00 0.00 C ATOM 212 CG GLU T 14 74.112 -11.434 -14.430 1.00 0.00 C ATOM 213 CD GLU T 14 74.415 -12.485 -15.492 1.00 0.00 C ATOM 214 OE1 GLU T 14 74.959 -12.119 -16.521 1.00 0.00 O ATOM 215 OE2 GLU T 14 74.097 -13.640 -15.263 1.00 0.00 O ATOM 0 H GLU T 14 71.748 -10.106 -14.051 1.00 0.00 H new ATOM 0 HA GLU T 14 74.235 -9.072 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU T 14 73.260 -10.087 -15.891 1.00 0.00 H new ATOM 0 HB3 GLU T 14 74.941 -9.759 -15.517 1.00 0.00 H new ATOM 0 HG2 GLU T 14 74.904 -11.422 -13.682 1.00 0.00 H new ATOM 0 HG3 GLU T 14 73.187 -11.686 -13.911 1.00 0.00 H new ATOM 222 N GLU T 15 72.475 -6.920 -14.546 1.00 0.00 N ATOM 223 CA GLU T 15 72.392 -5.566 -15.087 1.00 0.00 C ATOM 224 C GLU T 15 72.893 -4.544 -14.070 1.00 0.00 C ATOM 225 O GLU T 15 73.759 -3.725 -14.376 1.00 0.00 O ATOM 226 CB GLU T 15 70.944 -5.244 -15.461 1.00 0.00 C ATOM 227 CG GLU T 15 70.528 -6.089 -16.667 1.00 0.00 C ATOM 228 CD GLU T 15 69.022 -5.983 -16.884 1.00 0.00 C ATOM 229 OE1 GLU T 15 68.290 -6.602 -16.129 1.00 0.00 O ATOM 230 OE2 GLU T 15 68.624 -5.285 -17.801 1.00 0.00 O ATOM 0 H GLU T 15 71.615 -7.257 -14.113 1.00 0.00 H new ATOM 0 HA GLU T 15 73.022 -5.513 -15.975 1.00 0.00 H new ATOM 0 HB2 GLU T 15 70.285 -5.447 -14.617 1.00 0.00 H new ATOM 0 HB3 GLU T 15 70.845 -4.184 -15.695 1.00 0.00 H new ATOM 0 HG2 GLU T 15 71.057 -5.751 -17.558 1.00 0.00 H new ATOM 0 HG3 GLU T 15 70.808 -7.130 -16.506 1.00 0.00 H new ATOM 237 N GLN T 16 72.340 -4.593 -12.862 1.00 0.00 N ATOM 238 CA GLN T 16 72.738 -3.660 -11.814 1.00 0.00 C ATOM 239 C GLN T 16 74.105 -4.030 -11.246 1.00 0.00 C ATOM 240 O GLN T 16 74.709 -3.254 -10.506 1.00 0.00 O ATOM 241 CB GLN T 16 71.691 -3.652 -10.692 1.00 0.00 C ATOM 242 CG GLN T 16 71.651 -5.021 -9.997 1.00 0.00 C ATOM 243 CD GLN T 16 72.763 -5.121 -8.956 1.00 0.00 C ATOM 244 OE1 GLN T 16 73.821 -5.686 -9.229 1.00 0.00 O ATOM 245 NE2 GLN T 16 72.583 -4.603 -7.771 1.00 0.00 N ATOM 0 H GLN T 16 71.621 -5.262 -12.586 1.00 0.00 H new ATOM 0 HA GLN T 16 72.805 -2.664 -12.251 1.00 0.00 H new ATOM 0 HB2 GLN T 16 71.930 -2.874 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN T 16 70.709 -3.415 -11.102 1.00 0.00 H new ATOM 0 HG2 GLN T 16 70.682 -5.165 -9.519 1.00 0.00 H new ATOM 0 HG3 GLN T 16 71.763 -5.815 -10.736 1.00 0.00 H new ATOM 0 HE21 GLN T 16 71.705 -4.135 -7.547 1.00 0.00 H new ATOM 0 HE22 GLN T 16 73.321 -4.666 -7.069 1.00 0.00 H new ATOM 254 N LYS T 17 74.592 -5.216 -11.601 1.00 0.00 N ATOM 255 CA LYS T 17 75.894 -5.668 -11.121 1.00 0.00 C ATOM 256 C LYS T 17 77.013 -5.002 -11.916 1.00 0.00 C ATOM 257 O LYS T 17 78.012 -4.560 -11.348 1.00 0.00 O ATOM 258 CB LYS T 17 76.007 -7.190 -11.256 1.00 0.00 C ATOM 259 CG LYS T 17 75.135 -7.872 -10.198 1.00 0.00 C ATOM 260 CD LYS T 17 75.412 -9.376 -10.202 1.00 0.00 C ATOM 261 CE LYS T 17 74.504 -10.067 -9.183 1.00 0.00 C ATOM 262 NZ LYS T 17 74.989 -11.457 -8.947 1.00 0.00 N ATOM 0 H LYS T 17 74.111 -5.875 -12.213 1.00 0.00 H new ATOM 0 HA LYS T 17 75.989 -5.391 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS T 17 75.694 -7.500 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS T 17 77.046 -7.498 -11.138 1.00 0.00 H new ATOM 0 HG2 LYS T 17 75.346 -7.455 -9.213 1.00 0.00 H new ATOM 0 HG3 LYS T 17 74.081 -7.685 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS T 17 75.237 -9.786 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS T 17 76.458 -9.564 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS T 17 74.499 -9.508 -8.247 1.00 0.00 H new ATOM 0 HE3 LYS T 17 73.477 -10.086 -9.549 1.00 0.00 H new ATOM 0 HZ1 LYS T 17 74.372 -11.927 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS T 17 74.972 -11.987 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS T 17 75.962 -11.428 -8.580 1.00 0.00 H new ATOM 276 N ASN T 18 76.837 -4.931 -13.232 1.00 0.00 N ATOM 277 CA ASN T 18 77.838 -4.314 -14.094 1.00 0.00 C ATOM 278 C ASN T 18 78.044 -2.853 -13.712 1.00 0.00 C ATOM 279 O ASN T 18 79.064 -2.251 -14.046 1.00 0.00 O ATOM 280 CB ASN T 18 77.395 -4.404 -15.556 1.00 0.00 C ATOM 281 CG ASN T 18 77.395 -5.860 -16.011 1.00 0.00 C ATOM 282 OD1 ASN T 18 77.014 -6.793 -15.182 1.00 0.00 O flip ATOM 283 ND2 ASN T 18 77.751 -6.154 -17.153 1.00 0.00 N flip ATOM 0 H ASN T 18 76.017 -5.290 -13.721 1.00 0.00 H new ATOM 0 HA ASN T 18 78.780 -4.848 -13.967 1.00 0.00 H new ATOM 0 HB2 ASN T 18 76.398 -3.979 -15.670 1.00 0.00 H new ATOM 0 HB3 ASN T 18 78.065 -3.818 -16.185 1.00 0.00 H new ATOM 0 HD21 ASN T 18 78.048 -5.423 -17.799 1.00 0.00 H new ATOM 0 HD22 ASN T 18 77.748 -7.129 -17.453 1.00 0.00 H new ATOM 290 N GLU T 19 77.067 -2.287 -13.008 1.00 0.00 N ATOM 291 CA GLU T 19 77.152 -0.895 -12.585 1.00 0.00 C ATOM 292 C GLU T 19 78.134 -0.746 -11.427 1.00 0.00 C ATOM 293 O GLU T 19 78.906 0.210 -11.376 1.00 0.00 O ATOM 294 CB GLU T 19 75.770 -0.396 -12.154 1.00 0.00 C ATOM 295 CG GLU T 19 74.853 -0.311 -13.375 1.00 0.00 C ATOM 296 CD GLU T 19 75.226 0.899 -14.226 1.00 0.00 C ATOM 297 OE1 GLU T 19 75.308 1.984 -13.673 1.00 0.00 O ATOM 298 OE2 GLU T 19 75.426 0.723 -15.416 1.00 0.00 O ATOM 0 H GLU T 19 76.214 -2.768 -12.721 1.00 0.00 H new ATOM 0 HA GLU T 19 77.507 -0.299 -13.426 1.00 0.00 H new ATOM 0 HB2 GLU T 19 75.343 -1.071 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU T 19 75.856 0.583 -11.682 1.00 0.00 H new ATOM 0 HG2 GLU T 19 74.937 -1.222 -13.967 1.00 0.00 H new ATOM 0 HG3 GLU T 19 73.814 -0.234 -13.055 1.00 0.00 H new ATOM 305 N PHE T 20 78.098 -1.699 -10.501 1.00 0.00 N ATOM 306 CA PHE T 20 78.991 -1.662 -9.348 1.00 0.00 C ATOM 307 C PHE T 20 80.408 -2.054 -9.756 1.00 0.00 C ATOM 308 O PHE T 20 81.361 -1.314 -9.511 1.00 0.00 O ATOM 309 CB PHE T 20 78.487 -2.616 -8.264 1.00 0.00 C ATOM 310 CG PHE T 20 77.234 -2.049 -7.634 1.00 0.00 C ATOM 311 CD1 PHE T 20 77.317 -0.915 -6.816 1.00 0.00 C ATOM 312 CD2 PHE T 20 75.992 -2.653 -7.868 1.00 0.00 C ATOM 313 CE1 PHE T 20 76.161 -0.387 -6.232 1.00 0.00 C ATOM 314 CE2 PHE T 20 74.835 -2.123 -7.283 1.00 0.00 C ATOM 315 CZ PHE T 20 74.920 -0.990 -6.466 1.00 0.00 C ATOM 0 H PHE T 20 77.466 -2.499 -10.525 1.00 0.00 H new ATOM 0 HA PHE T 20 79.006 -0.645 -8.956 1.00 0.00 H new ATOM 0 HB2 PHE T 20 78.279 -3.595 -8.695 1.00 0.00 H new ATOM 0 HB3 PHE T 20 79.256 -2.759 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE T 20 78.274 -0.448 -6.636 1.00 0.00 H new ATOM 0 HD2 PHE T 20 75.927 -3.527 -8.499 1.00 0.00 H new ATOM 0 HE1 PHE T 20 76.226 0.486 -5.600 1.00 0.00 H new ATOM 0 HE2 PHE T 20 73.877 -2.589 -7.462 1.00 0.00 H new ATOM 0 HZ PHE T 20 74.028 -0.581 -6.016 1.00 0.00 H new ATOM 325 N LYS T 21 80.539 -3.221 -10.380 1.00 0.00 N ATOM 326 CA LYS T 21 81.847 -3.699 -10.817 1.00 0.00 C ATOM 327 C LYS T 21 82.610 -2.586 -11.528 1.00 0.00 C ATOM 328 O LYS T 21 83.838 -2.618 -11.613 1.00 0.00 O ATOM 329 CB LYS T 21 81.680 -4.891 -11.762 1.00 0.00 C ATOM 330 CG LYS T 21 81.038 -6.059 -11.007 1.00 0.00 C ATOM 331 CD LYS T 21 81.207 -7.349 -11.814 1.00 0.00 C ATOM 332 CE LYS T 21 80.425 -7.244 -13.127 1.00 0.00 C ATOM 333 NZ LYS T 21 80.278 -8.600 -13.727 1.00 0.00 N ATOM 0 H LYS T 21 79.763 -3.848 -10.593 1.00 0.00 H new ATOM 0 HA LYS T 21 82.413 -4.011 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS T 21 81.059 -4.609 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS T 21 82.649 -5.191 -12.160 1.00 0.00 H new ATOM 0 HG2 LYS T 21 81.500 -6.169 -10.026 1.00 0.00 H new ATOM 0 HG3 LYS T 21 79.980 -5.859 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS T 21 82.263 -7.524 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS T 21 80.851 -8.201 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS T 21 79.443 -6.807 -12.944 1.00 0.00 H new ATOM 0 HE3 LYS T 21 80.944 -6.582 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS T 21 79.747 -8.529 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS T 21 81.219 -9.000 -13.915 1.00 0.00 H new ATOM 0 HZ3 LYS T 21 79.765 -9.218 -13.067 1.00 0.00 H new ATOM 347 N ALA T 22 81.875 -1.603 -12.035 1.00 0.00 N ATOM 348 CA ALA T 22 82.494 -0.483 -12.734 1.00 0.00 C ATOM 349 C ALA T 22 83.108 0.492 -11.734 1.00 0.00 C ATOM 350 O ALA T 22 84.144 1.100 -12.002 1.00 0.00 O ATOM 351 CB ALA T 22 81.451 0.243 -13.585 1.00 0.00 C ATOM 0 H ALA T 22 80.858 -1.558 -11.976 1.00 0.00 H new ATOM 0 HA ALA T 22 83.281 -0.870 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA T 22 81.922 1.078 -14.104 1.00 0.00 H new ATOM 0 HB2 ALA T 22 81.033 -0.449 -14.316 1.00 0.00 H new ATOM 0 HB3 ALA T 22 80.654 0.618 -12.943 1.00 0.00 H new ATOM 357 N ALA T 23 82.463 0.634 -10.581 1.00 0.00 N ATOM 358 CA ALA T 23 82.957 1.536 -9.547 1.00 0.00 C ATOM 359 C ALA T 23 84.336 1.094 -9.071 1.00 0.00 C ATOM 360 O ALA T 23 85.279 1.887 -9.049 1.00 0.00 O ATOM 361 CB ALA T 23 81.987 1.556 -8.364 1.00 0.00 C ATOM 0 H ALA T 23 81.604 0.140 -10.340 1.00 0.00 H new ATOM 0 HA ALA T 23 83.033 2.538 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA T 23 82.363 2.232 -7.596 1.00 0.00 H new ATOM 0 HB2 ALA T 23 81.009 1.899 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA T 23 81.897 0.552 -7.950 1.00 0.00 H new ATOM 367 N PHE T 24 84.449 -0.176 -8.694 1.00 0.00 N ATOM 368 CA PHE T 24 85.719 -0.718 -8.220 1.00 0.00 C ATOM 369 C PHE T 24 86.870 -0.240 -9.101 1.00 0.00 C ATOM 370 O PHE T 24 87.872 0.275 -8.604 1.00 0.00 O ATOM 371 CB PHE T 24 85.670 -2.248 -8.228 1.00 0.00 C ATOM 372 CG PHE T 24 84.790 -2.734 -7.100 1.00 0.00 C ATOM 373 CD1 PHE T 24 83.403 -2.810 -7.278 1.00 0.00 C ATOM 374 CD2 PHE T 24 85.361 -3.109 -5.878 1.00 0.00 C ATOM 375 CE1 PHE T 24 82.588 -3.261 -6.232 1.00 0.00 C ATOM 376 CE2 PHE T 24 84.547 -3.559 -4.834 1.00 0.00 C ATOM 377 CZ PHE T 24 83.159 -3.636 -5.010 1.00 0.00 C ATOM 0 H PHE T 24 83.681 -0.847 -8.707 1.00 0.00 H new ATOM 0 HA PHE T 24 85.885 -0.365 -7.202 1.00 0.00 H new ATOM 0 HB2 PHE T 24 85.284 -2.604 -9.183 1.00 0.00 H new ATOM 0 HB3 PHE T 24 86.675 -2.654 -8.119 1.00 0.00 H new ATOM 0 HD1 PHE T 24 82.962 -2.521 -8.221 1.00 0.00 H new ATOM 0 HD2 PHE T 24 86.431 -3.051 -5.742 1.00 0.00 H new ATOM 0 HE1 PHE T 24 81.518 -3.320 -6.368 1.00 0.00 H new ATOM 0 HE2 PHE T 24 84.988 -3.847 -3.891 1.00 0.00 H new ATOM 0 HZ PHE T 24 82.530 -3.984 -4.204 1.00 0.00 H new ATOM 387 N ASP T 25 86.719 -0.415 -10.410 1.00 0.00 N ATOM 388 CA ASP T 25 87.753 0.003 -11.349 1.00 0.00 C ATOM 389 C ASP T 25 88.221 1.420 -11.033 1.00 0.00 C ATOM 390 O ASP T 25 89.415 1.716 -11.090 1.00 0.00 O ATOM 391 CB ASP T 25 87.212 -0.052 -12.779 1.00 0.00 C ATOM 392 CG ASP T 25 86.644 -1.436 -13.069 1.00 0.00 C ATOM 393 OD1 ASP T 25 86.153 -2.059 -12.142 1.00 0.00 O ATOM 394 OD2 ASP T 25 86.707 -1.853 -14.215 1.00 0.00 O ATOM 0 H ASP T 25 85.898 -0.840 -10.841 1.00 0.00 H new ATOM 0 HA ASP T 25 88.600 -0.676 -11.255 1.00 0.00 H new ATOM 0 HB2 ASP T 25 86.438 0.703 -12.913 1.00 0.00 H new ATOM 0 HB3 ASP T 25 88.008 0.179 -13.487 1.00 0.00 H new ATOM 399 N ILE T 26 87.275 2.292 -10.702 1.00 0.00 N ATOM 400 CA ILE T 26 87.604 3.677 -10.379 1.00 0.00 C ATOM 401 C ILE T 26 88.459 3.746 -9.117 1.00 0.00 C ATOM 402 O ILE T 26 89.337 4.600 -8.998 1.00 0.00 O ATOM 403 CB ILE T 26 86.321 4.486 -10.175 1.00 0.00 C ATOM 404 CG1 ILE T 26 85.315 4.150 -11.283 1.00 0.00 C ATOM 405 CG2 ILE T 26 86.644 5.983 -10.214 1.00 0.00 C ATOM 406 CD1 ILE T 26 85.982 4.271 -12.656 1.00 0.00 C ATOM 0 H ILE T 26 86.281 2.068 -10.650 1.00 0.00 H new ATOM 0 HA ILE T 26 88.170 4.099 -11.210 1.00 0.00 H new ATOM 0 HB ILE T 26 85.889 4.234 -9.207 1.00 0.00 H new ATOM 0 HG12 ILE T 26 84.934 3.138 -11.144 1.00 0.00 H new ATOM 0 HG13 ILE T 26 84.460 4.824 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE T 26 85.729 6.557 -10.069 1.00 0.00 H new ATOM 0 HG22 ILE T 26 87.353 6.223 -9.421 1.00 0.00 H new ATOM 0 HG23 ILE T 26 87.081 6.236 -11.180 1.00 0.00 H new ATOM 0 HD11 ILE T 26 85.258 4.030 -13.435 1.00 0.00 H new ATOM 0 HD12 ILE T 26 86.341 5.290 -12.797 1.00 0.00 H new ATOM 0 HD13 ILE T 26 86.822 3.579 -12.715 1.00 0.00 H new ATOM 418 N PHE T 27 88.197 2.841 -8.179 1.00 0.00 N ATOM 419 CA PHE T 27 88.953 2.809 -6.932 1.00 0.00 C ATOM 420 C PHE T 27 90.324 2.179 -7.159 1.00 0.00 C ATOM 421 O PHE T 27 91.347 2.861 -7.112 1.00 0.00 O ATOM 422 CB PHE T 27 88.188 2.004 -5.876 1.00 0.00 C ATOM 423 CG PHE T 27 87.013 2.811 -5.374 1.00 0.00 C ATOM 424 CD1 PHE T 27 87.196 3.751 -4.353 1.00 0.00 C ATOM 425 CD2 PHE T 27 85.744 2.620 -5.930 1.00 0.00 C ATOM 426 CE1 PHE T 27 86.109 4.500 -3.889 1.00 0.00 C ATOM 427 CE2 PHE T 27 84.656 3.368 -5.465 1.00 0.00 C ATOM 428 CZ PHE T 27 84.840 4.309 -4.445 1.00 0.00 C ATOM 0 H PHE T 27 87.474 2.126 -8.257 1.00 0.00 H new ATOM 0 HA PHE T 27 89.086 3.832 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE T 27 87.840 1.064 -6.303 1.00 0.00 H new ATOM 0 HB3 PHE T 27 88.849 1.752 -5.047 1.00 0.00 H new ATOM 0 HD1 PHE T 27 88.176 3.898 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE T 27 85.603 1.895 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE T 27 86.250 5.226 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE T 27 83.676 3.219 -5.893 1.00 0.00 H new ATOM 0 HZ PHE T 27 84.001 4.888 -4.087 1.00 0.00 H new ATOM 438 N VAL T 28 90.334 0.872 -7.405 1.00 0.00 N ATOM 439 CA VAL T 28 91.583 0.154 -7.640 1.00 0.00 C ATOM 440 C VAL T 28 92.033 0.321 -9.088 1.00 0.00 C ATOM 441 O VAL T 28 92.232 -0.661 -9.803 1.00 0.00 O ATOM 442 CB VAL T 28 91.393 -1.331 -7.331 1.00 0.00 C ATOM 443 CG1 VAL T 28 91.222 -1.522 -5.823 1.00 0.00 C ATOM 444 CG2 VAL T 28 90.145 -1.845 -8.053 1.00 0.00 C ATOM 0 H VAL T 28 89.497 0.291 -7.447 1.00 0.00 H new ATOM 0 HA VAL T 28 92.349 0.568 -6.984 1.00 0.00 H new ATOM 0 HB VAL T 28 92.267 -1.887 -7.671 1.00 0.00 H new ATOM 0 HG11 VAL T 28 91.087 -2.581 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL T 28 92.109 -1.155 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL T 28 90.348 -0.966 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL T 28 90.008 -2.904 -7.834 1.00 0.00 H new ATOM 0 HG22 VAL T 28 89.272 -1.288 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL T 28 90.265 -1.710 -9.128 1.00 0.00 H new ATOM 454 N LEU T 29 92.189 1.571 -9.517 1.00 0.00 N ATOM 455 CA LEU T 29 92.615 1.854 -10.885 1.00 0.00 C ATOM 456 C LEU T 29 94.131 1.711 -11.016 1.00 0.00 C ATOM 457 O LEU T 29 94.711 2.064 -12.043 1.00 0.00 O ATOM 458 CB LEU T 29 92.179 3.272 -11.297 1.00 0.00 C ATOM 459 CG LEU T 29 92.294 4.233 -10.107 1.00 0.00 C ATOM 460 CD1 LEU T 29 93.704 4.169 -9.514 1.00 0.00 C ATOM 461 CD2 LEU T 29 92.011 5.659 -10.585 1.00 0.00 C ATOM 0 H LEU T 29 92.028 2.398 -8.942 1.00 0.00 H new ATOM 0 HA LEU T 29 92.140 1.132 -11.549 1.00 0.00 H new ATOM 0 HB2 LEU T 29 92.800 3.626 -12.120 1.00 0.00 H new ATOM 0 HB3 LEU T 29 91.151 3.253 -11.659 1.00 0.00 H new ATOM 0 HG LEU T 29 91.573 3.945 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU T 29 93.775 4.855 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU T 29 93.910 3.154 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU T 29 94.432 4.453 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU T 29 92.091 6.347 -9.744 1.00 0.00 H new ATOM 0 HD22 LEU T 29 92.735 5.936 -11.351 1.00 0.00 H new ATOM 0 HD23 LEU T 29 91.005 5.710 -11.001 1.00 0.00 H new ATOM 473 N GLY T 30 94.766 1.190 -9.971 1.00 0.00 N ATOM 474 CA GLY T 30 96.213 1.007 -9.984 1.00 0.00 C ATOM 475 C GLY T 30 96.667 0.155 -8.805 1.00 0.00 C ATOM 476 O GLY T 30 97.807 0.260 -8.353 1.00 0.00 O ATOM 0 H GLY T 30 94.306 0.889 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY T 30 96.515 0.532 -10.918 1.00 0.00 H new ATOM 0 HA3 GLY T 30 96.706 1.978 -9.946 1.00 0.00 H new ATOM 480 N ALA T 31 95.769 -0.692 -8.309 1.00 0.00 N ATOM 481 CA ALA T 31 96.091 -1.559 -7.182 1.00 0.00 C ATOM 482 C ALA T 31 96.913 -2.757 -7.645 1.00 0.00 C ATOM 483 O ALA T 31 96.907 -3.106 -8.825 1.00 0.00 O ATOM 484 CB ALA T 31 94.804 -2.048 -6.515 1.00 0.00 C ATOM 0 H ALA T 31 94.820 -0.796 -8.667 1.00 0.00 H new ATOM 0 HA ALA T 31 96.678 -0.986 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA T 31 95.053 -2.695 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA T 31 94.232 -1.192 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA T 31 94.209 -2.606 -7.238 1.00 0.00 H new ATOM 490 N GLU T 32 97.617 -3.383 -6.708 1.00 0.00 N ATOM 491 CA GLU T 32 98.440 -4.543 -7.032 1.00 0.00 C ATOM 492 C GLU T 32 97.577 -5.794 -7.158 1.00 0.00 C ATOM 493 O GLU T 32 97.381 -6.317 -8.255 1.00 0.00 O ATOM 494 CB GLU T 32 99.494 -4.756 -5.943 1.00 0.00 C ATOM 495 CG GLU T 32 100.557 -3.660 -6.040 1.00 0.00 C ATOM 496 CD GLU T 32 101.480 -3.720 -4.828 1.00 0.00 C ATOM 497 OE1 GLU T 32 101.056 -3.300 -3.764 1.00 0.00 O ATOM 498 OE2 GLU T 32 102.597 -4.185 -4.983 1.00 0.00 O ATOM 0 H GLU T 32 97.635 -3.110 -5.725 1.00 0.00 H new ATOM 0 HA GLU T 32 98.935 -4.359 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU T 32 99.025 -4.736 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU T 32 99.956 -5.737 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU T 32 101.136 -3.784 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU T 32 100.079 -2.682 -6.095 1.00 0.00 H new ATOM 505 N ASP T 33 97.063 -6.268 -6.027 1.00 0.00 N ATOM 506 CA ASP T 33 96.219 -7.459 -6.021 1.00 0.00 C ATOM 507 C ASP T 33 94.795 -7.108 -6.443 1.00 0.00 C ATOM 508 O ASP T 33 94.378 -7.406 -7.562 1.00 0.00 O ATOM 509 CB ASP T 33 96.207 -8.081 -4.621 1.00 0.00 C ATOM 510 CG ASP T 33 96.040 -6.992 -3.565 1.00 0.00 C ATOM 511 OD1 ASP T 33 95.903 -5.841 -3.945 1.00 0.00 O ATOM 512 OD2 ASP T 33 96.052 -7.327 -2.392 1.00 0.00 O ATOM 0 H ASP T 33 97.214 -5.850 -5.109 1.00 0.00 H new ATOM 0 HA ASP T 33 96.626 -8.178 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP T 33 95.394 -8.803 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP T 33 97.135 -8.626 -4.449 1.00 0.00 H new ATOM 517 N GLY T 34 94.054 -6.473 -5.540 1.00 0.00 N ATOM 518 CA GLY T 34 92.677 -6.087 -5.828 1.00 0.00 C ATOM 519 C GLY T 34 91.895 -5.865 -4.539 1.00 0.00 C ATOM 520 O GLY T 34 91.070 -6.694 -4.152 1.00 0.00 O ATOM 0 H GLY T 34 94.381 -6.216 -4.609 1.00 0.00 H new ATOM 0 HA2 GLY T 34 92.668 -5.175 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY T 34 92.194 -6.863 -6.422 1.00 0.00 H new ATOM 524 N SER T 35 92.160 -4.743 -3.876 1.00 0.00 N ATOM 525 CA SER T 35 91.475 -4.419 -2.628 1.00 0.00 C ATOM 526 C SER T 35 91.472 -2.912 -2.393 1.00 0.00 C ATOM 527 O SER T 35 92.496 -2.247 -2.551 1.00 0.00 O ATOM 528 CB SER T 35 92.172 -5.117 -1.458 1.00 0.00 C ATOM 529 OG SER T 35 93.283 -4.335 -1.039 1.00 0.00 O ATOM 0 H SER T 35 92.840 -4.046 -4.180 1.00 0.00 H new ATOM 0 HA SER T 35 90.444 -4.765 -2.699 1.00 0.00 H new ATOM 0 HB2 SER T 35 91.474 -5.251 -0.631 1.00 0.00 H new ATOM 0 HB3 SER T 35 92.505 -6.111 -1.758 1.00 0.00 H new ATOM 0 HG SER T 35 93.337 -3.524 -1.586 1.00 0.00 H new ATOM 535 N ILE T 36 90.313 -2.380 -2.018 1.00 0.00 N ATOM 536 CA ILE T 36 90.186 -0.949 -1.763 1.00 0.00 C ATOM 537 C ILE T 36 90.749 -0.595 -0.391 1.00 0.00 C ATOM 538 O ILE T 36 90.896 -1.461 0.471 1.00 0.00 O ATOM 539 CB ILE T 36 88.714 -0.537 -1.835 1.00 0.00 C ATOM 540 CG1 ILE T 36 88.142 -0.926 -3.200 1.00 0.00 C ATOM 541 CG2 ILE T 36 88.595 0.977 -1.646 1.00 0.00 C ATOM 542 CD1 ILE T 36 86.620 -0.781 -3.179 1.00 0.00 C ATOM 0 H ILE T 36 89.454 -2.913 -1.885 1.00 0.00 H new ATOM 0 HA ILE T 36 90.753 -0.412 -2.523 1.00 0.00 H new ATOM 0 HB ILE T 36 88.157 -1.045 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE T 36 88.567 -0.292 -3.978 1.00 0.00 H new ATOM 0 HG13 ILE T 36 88.416 -1.953 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE T 36 87.546 1.269 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE T 36 89.002 1.255 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE T 36 89.152 1.487 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE T 36 86.215 -1.058 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE T 36 86.203 -1.434 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE T 36 86.356 0.253 -2.958 1.00 0.00 H new ATOM 554 N SER T 37 91.062 0.682 -0.195 1.00 0.00 N ATOM 555 CA SER T 37 91.608 1.137 1.078 1.00 0.00 C ATOM 556 C SER T 37 91.516 2.656 1.191 1.00 0.00 C ATOM 557 O SER T 37 91.347 3.354 0.190 1.00 0.00 O ATOM 558 CB SER T 37 93.068 0.701 1.205 1.00 0.00 C ATOM 559 OG SER T 37 93.521 0.956 2.529 1.00 0.00 O ATOM 0 H SER T 37 90.948 1.415 -0.895 1.00 0.00 H new ATOM 0 HA SER T 37 91.024 0.690 1.882 1.00 0.00 H new ATOM 0 HB2 SER T 37 93.164 -0.360 0.973 1.00 0.00 H new ATOM 0 HB3 SER T 37 93.685 1.241 0.487 1.00 0.00 H new ATOM 0 HG SER T 37 94.456 0.676 2.614 1.00 0.00 H new ATOM 565 N THR T 38 91.628 3.161 2.415 1.00 0.00 N ATOM 566 CA THR T 38 91.555 4.598 2.650 1.00 0.00 C ATOM 567 C THR T 38 92.452 5.351 1.671 1.00 0.00 C ATOM 568 O THR T 38 92.343 6.568 1.525 1.00 0.00 O ATOM 569 CB THR T 38 91.985 4.916 4.085 1.00 0.00 C ATOM 570 OG1 THR T 38 93.405 4.939 4.156 1.00 0.00 O ATOM 571 CG2 THR T 38 91.444 3.843 5.032 1.00 0.00 C ATOM 0 H THR T 38 91.769 2.600 3.255 1.00 0.00 H new ATOM 0 HA THR T 38 90.524 4.918 2.499 1.00 0.00 H new ATOM 0 HB THR T 38 91.588 5.888 4.377 1.00 0.00 H new ATOM 0 HG1 THR T 38 93.688 4.824 5.087 1.00 0.00 H new ATOM 0 HG21 THR T 38 91.751 4.071 6.053 1.00 0.00 H new ATOM 0 HG22 THR T 38 90.356 3.823 4.976 1.00 0.00 H new ATOM 0 HG23 THR T 38 91.840 2.869 4.743 1.00 0.00 H new ATOM 579 N LYS T 39 93.336 4.619 1.003 1.00 0.00 N ATOM 580 CA LYS T 39 94.247 5.228 0.041 1.00 0.00 C ATOM 581 C LYS T 39 93.529 5.507 -1.275 1.00 0.00 C ATOM 582 O LYS T 39 93.552 6.630 -1.781 1.00 0.00 O ATOM 583 CB LYS T 39 95.439 4.303 -0.209 1.00 0.00 C ATOM 584 CG LYS T 39 96.302 4.229 1.052 1.00 0.00 C ATOM 585 CD LYS T 39 97.580 3.444 0.753 1.00 0.00 C ATOM 586 CE LYS T 39 98.493 3.468 1.981 1.00 0.00 C ATOM 587 NZ LYS T 39 99.635 2.533 1.771 1.00 0.00 N ATOM 0 H LYS T 39 93.441 3.610 1.108 1.00 0.00 H new ATOM 0 HA LYS T 39 94.603 6.172 0.453 1.00 0.00 H new ATOM 0 HB2 LYS T 39 95.089 3.307 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS T 39 96.031 4.673 -1.046 1.00 0.00 H new ATOM 0 HG2 LYS T 39 96.552 5.234 1.394 1.00 0.00 H new ATOM 0 HG3 LYS T 39 95.747 3.747 1.857 1.00 0.00 H new ATOM 0 HD2 LYS T 39 97.334 2.415 0.489 1.00 0.00 H new ATOM 0 HD3 LYS T 39 98.094 3.879 -0.104 1.00 0.00 H new ATOM 0 HE2 LYS T 39 98.864 4.479 2.152 1.00 0.00 H new ATOM 0 HE3 LYS T 39 97.932 3.180 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS T 39 100.255 2.550 2.606 1.00 0.00 H new ATOM 0 HZ2 LYS T 39 99.272 1.569 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS T 39 100.175 2.828 0.932 1.00 0.00 H new ATOM 601 N GLU T 40 92.890 4.478 -1.827 1.00 0.00 N ATOM 602 CA GLU T 40 92.166 4.621 -3.089 1.00 0.00 C ATOM 603 C GLU T 40 90.743 5.112 -2.838 1.00 0.00 C ATOM 604 O GLU T 40 89.997 5.390 -3.776 1.00 0.00 O ATOM 605 CB GLU T 40 92.120 3.276 -3.818 1.00 0.00 C ATOM 606 CG GLU T 40 93.498 2.615 -3.757 1.00 0.00 C ATOM 607 CD GLU T 40 94.548 3.544 -4.356 1.00 0.00 C ATOM 608 OE1 GLU T 40 94.701 3.530 -5.567 1.00 0.00 O ATOM 609 OE2 GLU T 40 95.184 4.255 -3.596 1.00 0.00 O ATOM 0 H GLU T 40 92.858 3.542 -1.424 1.00 0.00 H new ATOM 0 HA GLU T 40 92.688 5.353 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU T 40 91.373 2.627 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU T 40 91.821 3.423 -4.856 1.00 0.00 H new ATOM 0 HG2 GLU T 40 93.754 2.382 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU T 40 93.482 1.671 -4.302 1.00 0.00 H new ATOM 616 N LEU T 41 90.374 5.212 -1.565 1.00 0.00 N ATOM 617 CA LEU T 41 89.037 5.667 -1.200 1.00 0.00 C ATOM 618 C LEU T 41 88.888 7.163 -1.478 1.00 0.00 C ATOM 619 O LEU T 41 88.121 7.569 -2.352 1.00 0.00 O ATOM 620 CB LEU T 41 88.784 5.375 0.292 1.00 0.00 C ATOM 621 CG LEU T 41 87.277 5.207 0.577 1.00 0.00 C ATOM 622 CD1 LEU T 41 86.504 6.409 0.021 1.00 0.00 C ATOM 623 CD2 LEU T 41 86.742 3.902 -0.057 1.00 0.00 C ATOM 0 H LEU T 41 90.977 4.986 -0.774 1.00 0.00 H new ATOM 0 HA LEU T 41 88.302 5.132 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU T 41 89.316 4.469 0.584 1.00 0.00 H new ATOM 0 HB3 LEU T 41 89.183 6.188 0.898 1.00 0.00 H new ATOM 0 HG LEU T 41 87.134 5.152 1.656 1.00 0.00 H new ATOM 0 HD11 LEU T 41 85.441 6.284 0.226 1.00 0.00 H new ATOM 0 HD12 LEU T 41 86.860 7.323 0.497 1.00 0.00 H new ATOM 0 HD13 LEU T 41 86.661 6.476 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU T 41 85.678 3.804 0.156 1.00 0.00 H new ATOM 0 HD22 LEU T 41 86.895 3.932 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU T 41 87.276 3.049 0.361 1.00 0.00 H new ATOM 635 N GLY T 42 89.625 7.975 -0.727 1.00 0.00 N ATOM 636 CA GLY T 42 89.567 9.423 -0.895 1.00 0.00 C ATOM 637 C GLY T 42 89.600 9.812 -2.370 1.00 0.00 C ATOM 638 O GLY T 42 88.911 10.741 -2.791 1.00 0.00 O ATOM 0 H GLY T 42 90.266 7.658 0.000 1.00 0.00 H new ATOM 0 HA2 GLY T 42 88.657 9.808 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY T 42 90.407 9.885 -0.376 1.00 0.00 H new ATOM 642 N LYS T 43 90.407 9.101 -3.147 1.00 0.00 N ATOM 643 CA LYS T 43 90.524 9.386 -4.573 1.00 0.00 C ATOM 644 C LYS T 43 89.147 9.579 -5.203 1.00 0.00 C ATOM 645 O LYS T 43 88.792 10.682 -5.617 1.00 0.00 O ATOM 646 CB LYS T 43 91.254 8.240 -5.278 1.00 0.00 C ATOM 647 CG LYS T 43 92.688 8.143 -4.752 1.00 0.00 C ATOM 648 CD LYS T 43 93.513 7.253 -5.684 1.00 0.00 C ATOM 649 CE LYS T 43 94.888 6.997 -5.062 1.00 0.00 C ATOM 650 NZ LYS T 43 95.681 6.112 -5.960 1.00 0.00 N ATOM 0 H LYS T 43 90.986 8.329 -2.818 1.00 0.00 H new ATOM 0 HA LYS T 43 91.094 10.308 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS T 43 90.729 7.301 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS T 43 91.262 8.408 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS T 43 93.133 9.136 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS T 43 92.690 7.731 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS T 43 92.997 6.308 -5.853 1.00 0.00 H new ATOM 0 HD3 LYS T 43 93.626 7.732 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS T 43 95.411 7.941 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS T 43 94.775 6.532 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS T 43 96.633 5.979 -5.563 1.00 0.00 H new ATOM 0 HZ2 LYS T 43 95.208 5.189 -6.044 1.00 0.00 H new ATOM 0 HZ3 LYS T 43 95.756 6.549 -6.901 1.00 0.00 H new ATOM 664 N VAL T 44 88.378 8.497 -5.276 1.00 0.00 N ATOM 665 CA VAL T 44 87.043 8.560 -5.864 1.00 0.00 C ATOM 666 C VAL T 44 86.236 9.706 -5.262 1.00 0.00 C ATOM 667 O VAL T 44 85.594 10.469 -5.984 1.00 0.00 O ATOM 668 CB VAL T 44 86.309 7.240 -5.629 1.00 0.00 C ATOM 669 CG1 VAL T 44 84.901 7.326 -6.220 1.00 0.00 C ATOM 670 CG2 VAL T 44 87.078 6.100 -6.304 1.00 0.00 C ATOM 0 H VAL T 44 88.652 7.574 -4.939 1.00 0.00 H new ATOM 0 HA VAL T 44 87.150 8.735 -6.935 1.00 0.00 H new ATOM 0 HB VAL T 44 86.242 7.048 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL T 44 84.378 6.385 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL T 44 84.353 8.136 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL T 44 84.967 7.519 -7.291 1.00 0.00 H new ATOM 0 HG21 VAL T 44 86.555 5.159 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL T 44 87.147 6.291 -7.375 1.00 0.00 H new ATOM 0 HG23 VAL T 44 88.081 6.038 -5.882 1.00 0.00 H new ATOM 680 N MET T 45 86.269 9.820 -3.939 1.00 0.00 N ATOM 681 CA MET T 45 85.531 10.877 -3.256 1.00 0.00 C ATOM 682 C MET T 45 85.913 12.247 -3.808 1.00 0.00 C ATOM 683 O MET T 45 85.208 13.233 -3.588 1.00 0.00 O ATOM 684 CB MET T 45 85.817 10.831 -1.754 1.00 0.00 C ATOM 685 CG MET T 45 85.199 9.565 -1.157 1.00 0.00 C ATOM 686 SD MET T 45 83.398 9.733 -1.122 1.00 0.00 S ATOM 687 CE MET T 45 83.008 7.975 -0.945 1.00 0.00 C ATOM 0 H MET T 45 86.794 9.200 -3.322 1.00 0.00 H new ATOM 0 HA MET T 45 84.467 10.715 -3.427 1.00 0.00 H new ATOM 0 HB2 MET T 45 86.892 10.842 -1.577 1.00 0.00 H new ATOM 0 HB3 MET T 45 85.405 11.715 -1.267 1.00 0.00 H new ATOM 0 HG2 MET T 45 85.482 8.695 -1.749 1.00 0.00 H new ATOM 0 HG3 MET T 45 85.580 9.402 -0.149 1.00 0.00 H new ATOM 0 HE1 MET T 45 81.927 7.845 -0.902 1.00 0.00 H new ATOM 0 HE2 MET T 45 83.406 7.426 -1.799 1.00 0.00 H new ATOM 0 HE3 MET T 45 83.456 7.594 -0.027 1.00 0.00 H new ATOM 697 N ARG T 46 87.030 12.304 -4.524 1.00 0.00 N ATOM 698 CA ARG T 46 87.489 13.562 -5.100 1.00 0.00 C ATOM 699 C ARG T 46 86.502 14.062 -6.150 1.00 0.00 C ATOM 700 O ARG T 46 86.033 15.198 -6.085 1.00 0.00 O ATOM 701 CB ARG T 46 88.866 13.376 -5.740 1.00 0.00 C ATOM 702 CG ARG T 46 89.465 14.744 -6.070 1.00 0.00 C ATOM 703 CD ARG T 46 90.852 14.560 -6.690 1.00 0.00 C ATOM 704 NE ARG T 46 91.471 15.857 -6.937 1.00 0.00 N ATOM 705 CZ ARG T 46 92.484 15.984 -7.787 1.00 0.00 C ATOM 706 NH1 ARG T 46 92.944 14.937 -8.416 1.00 0.00 N ATOM 707 NH2 ARG T 46 93.020 17.156 -7.992 1.00 0.00 N ATOM 0 H ARG T 46 87.630 11.502 -4.718 1.00 0.00 H new ATOM 0 HA ARG T 46 87.558 14.300 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG T 46 89.524 12.833 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG T 46 88.779 12.777 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG T 46 88.815 15.280 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG T 46 89.537 15.349 -5.166 1.00 0.00 H new ATOM 0 HD2 ARG T 46 91.481 13.970 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG T 46 90.770 14.005 -7.624 1.00 0.00 H new ATOM 0 HE ARG T 46 91.120 16.681 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG T 46 92.526 14.021 -8.255 1.00 0.00 H new ATOM 0 HH12 ARG T 46 93.722 15.035 -9.069 1.00 0.00 H new ATOM 0 HH21 ARG T 46 92.661 17.974 -7.500 1.00 0.00 H new ATOM 0 HH22 ARG T 46 93.798 17.254 -8.645 1.00 0.00 H new ATOM 721 N MET T 47 86.193 13.205 -7.118 1.00 0.00 N ATOM 722 CA MET T 47 85.260 13.571 -8.178 1.00 0.00 C ATOM 723 C MET T 47 84.013 14.224 -7.592 1.00 0.00 C ATOM 724 O MET T 47 83.441 15.138 -8.186 1.00 0.00 O ATOM 725 CB MET T 47 84.862 12.328 -8.976 1.00 0.00 C ATOM 726 CG MET T 47 86.102 11.729 -9.643 1.00 0.00 C ATOM 727 SD MET T 47 85.592 10.547 -10.915 1.00 0.00 S ATOM 728 CE MET T 47 84.578 9.492 -9.851 1.00 0.00 C ATOM 0 H MET T 47 86.571 12.260 -7.191 1.00 0.00 H new ATOM 0 HA MET T 47 85.752 14.284 -8.840 1.00 0.00 H new ATOM 0 HB2 MET T 47 84.400 11.593 -8.317 1.00 0.00 H new ATOM 0 HB3 MET T 47 84.121 12.590 -9.731 1.00 0.00 H new ATOM 0 HG2 MET T 47 86.706 12.520 -10.088 1.00 0.00 H new ATOM 0 HG3 MET T 47 86.724 11.232 -8.899 1.00 0.00 H new ATOM 0 HE1 MET T 47 84.479 8.506 -10.304 1.00 0.00 H new ATOM 0 HE2 MET T 47 85.053 9.396 -8.875 1.00 0.00 H new ATOM 0 HE3 MET T 47 83.590 9.937 -9.732 1.00 0.00 H new ATOM 738 N LEU T 48 83.595 13.749 -6.422 1.00 0.00 N ATOM 739 CA LEU T 48 82.414 14.295 -5.766 1.00 0.00 C ATOM 740 C LEU T 48 82.690 15.710 -5.265 1.00 0.00 C ATOM 741 O LEU T 48 82.316 16.690 -5.909 1.00 0.00 O ATOM 742 CB LEU T 48 82.008 13.398 -4.588 1.00 0.00 C ATOM 743 CG LEU T 48 81.298 12.143 -5.108 1.00 0.00 C ATOM 744 CD1 LEU T 48 82.167 11.455 -6.166 1.00 0.00 C ATOM 745 CD2 LEU T 48 81.052 11.182 -3.943 1.00 0.00 C ATOM 0 H LEU T 48 84.053 12.993 -5.913 1.00 0.00 H new ATOM 0 HA LEU T 48 81.599 14.331 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU T 48 82.890 13.116 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU T 48 81.350 13.945 -3.913 1.00 0.00 H new ATOM 0 HG LEU T 48 80.346 12.426 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU T 48 81.657 10.564 -6.532 1.00 0.00 H new ATOM 0 HD12 LEU T 48 82.341 12.140 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU T 48 83.122 11.171 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU T 48 80.547 10.288 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU T 48 82.005 10.902 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU T 48 80.428 11.670 -3.194 1.00 0.00 H new ATOM 757 N GLY T 49 83.347 15.808 -4.114 1.00 0.00 N ATOM 758 CA GLY T 49 83.668 17.109 -3.539 1.00 0.00 C ATOM 759 C GLY T 49 84.079 16.975 -2.077 1.00 0.00 C ATOM 760 O GLY T 49 83.758 17.829 -1.251 1.00 0.00 O ATOM 0 H GLY T 49 83.665 15.009 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY T 49 84.476 17.572 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY T 49 82.804 17.769 -3.618 1.00 0.00 H new ATOM 764 N GLN T 50 84.794 15.895 -1.763 1.00 0.00 N ATOM 765 CA GLN T 50 85.252 15.648 -0.393 1.00 0.00 C ATOM 766 C GLN T 50 86.662 15.066 -0.402 1.00 0.00 C ATOM 767 O GLN T 50 87.079 14.436 -1.375 1.00 0.00 O ATOM 768 CB GLN T 50 84.304 14.670 0.308 1.00 0.00 C ATOM 769 CG GLN T 50 82.862 15.170 0.184 1.00 0.00 C ATOM 770 CD GLN T 50 82.734 16.557 0.802 1.00 0.00 C ATOM 771 OE1 GLN T 50 81.981 17.393 0.304 1.00 0.00 O ATOM 772 NE2 GLN T 50 83.429 16.853 1.867 1.00 0.00 N ATOM 0 H GLN T 50 85.069 15.178 -2.435 1.00 0.00 H new ATOM 0 HA GLN T 50 85.260 16.596 0.145 1.00 0.00 H new ATOM 0 HB2 GLN T 50 84.395 13.679 -0.136 1.00 0.00 H new ATOM 0 HB3 GLN T 50 84.577 14.574 1.359 1.00 0.00 H new ATOM 0 HG2 GLN T 50 82.569 15.202 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN T 50 82.184 14.477 0.683 1.00 0.00 H new ATOM 0 HE21 GLN T 50 84.053 16.159 2.278 1.00 0.00 H new ATOM 0 HE22 GLN T 50 83.348 17.779 2.288 1.00 0.00 H new ATOM 781 N ASN T 51 87.392 15.280 0.688 1.00 0.00 N ATOM 782 CA ASN T 51 88.755 14.773 0.795 1.00 0.00 C ATOM 783 C ASN T 51 89.244 14.845 2.239 1.00 0.00 C ATOM 784 O ASN T 51 90.231 15.516 2.537 1.00 0.00 O ATOM 785 CB ASN T 51 89.687 15.591 -0.101 1.00 0.00 C ATOM 786 CG ASN T 51 91.109 15.047 -0.008 1.00 0.00 C ATOM 787 OD1 ASN T 51 91.986 15.694 0.565 1.00 0.00 O ATOM 788 ND2 ASN T 51 91.392 13.890 -0.540 1.00 0.00 N ATOM 0 H ASN T 51 87.065 15.797 1.504 1.00 0.00 H new ATOM 0 HA ASN T 51 88.761 13.732 0.473 1.00 0.00 H new ATOM 0 HB2 ASN T 51 89.340 15.551 -1.134 1.00 0.00 H new ATOM 0 HB3 ASN T 51 89.669 16.638 0.201 1.00 0.00 H new ATOM 0 HD21 ASN T 51 92.341 13.520 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN T 51 90.664 13.355 -1.014 1.00 0.00 H new ATOM 795 N PRO T 52 88.572 14.166 3.133 1.00 0.00 N ATOM 796 CA PRO T 52 88.942 14.150 4.579 1.00 0.00 C ATOM 797 C PRO T 52 90.158 13.264 4.849 1.00 0.00 C ATOM 798 O PRO T 52 90.784 12.752 3.921 1.00 0.00 O ATOM 799 CB PRO T 52 87.683 13.594 5.255 1.00 0.00 C ATOM 800 CG PRO T 52 87.062 12.704 4.224 1.00 0.00 C ATOM 801 CD PRO T 52 87.382 13.339 2.864 1.00 0.00 C ATOM 0 HA PRO T 52 89.231 15.133 4.950 1.00 0.00 H new ATOM 0 HB2 PRO T 52 87.931 13.039 6.160 1.00 0.00 H new ATOM 0 HB3 PRO T 52 87.004 14.395 5.548 1.00 0.00 H new ATOM 0 HG2 PRO T 52 87.466 11.694 4.287 1.00 0.00 H new ATOM 0 HG3 PRO T 52 85.985 12.626 4.374 1.00 0.00 H new ATOM 0 HD2 PRO T 52 87.584 12.582 2.107 1.00 0.00 H new ATOM 0 HD3 PRO T 52 86.551 13.942 2.498 1.00 0.00 H new ATOM 809 N THR T 53 90.484 13.090 6.126 1.00 0.00 N ATOM 810 CA THR T 53 91.625 12.264 6.511 1.00 0.00 C ATOM 811 C THR T 53 91.261 10.781 6.413 1.00 0.00 C ATOM 812 O THR T 53 90.093 10.416 6.546 1.00 0.00 O ATOM 813 CB THR T 53 92.052 12.597 7.952 1.00 0.00 C ATOM 814 OG1 THR T 53 92.584 11.436 8.571 1.00 0.00 O ATOM 815 CG2 THR T 53 90.841 13.084 8.752 1.00 0.00 C ATOM 0 H THR T 53 89.978 13.507 6.908 1.00 0.00 H new ATOM 0 HA THR T 53 92.452 12.473 5.833 1.00 0.00 H new ATOM 0 HB THR T 53 92.810 13.380 7.927 1.00 0.00 H new ATOM 0 HG1 THR T 53 92.857 11.650 9.488 1.00 0.00 H new ATOM 0 HG21 THR T 53 91.149 13.318 9.771 1.00 0.00 H new ATOM 0 HG22 THR T 53 90.430 13.978 8.282 1.00 0.00 H new ATOM 0 HG23 THR T 53 90.081 12.303 8.773 1.00 0.00 H new ATOM 823 N PRO T 54 92.227 9.920 6.187 1.00 0.00 N ATOM 824 CA PRO T 54 91.976 8.450 6.078 1.00 0.00 C ATOM 825 C PRO T 54 91.559 7.846 7.418 1.00 0.00 C ATOM 826 O PRO T 54 91.214 6.667 7.498 1.00 0.00 O ATOM 827 CB PRO T 54 93.326 7.886 5.600 1.00 0.00 C ATOM 828 CG PRO T 54 94.343 8.877 6.069 1.00 0.00 C ATOM 829 CD PRO T 54 93.656 10.242 6.011 1.00 0.00 C ATOM 0 HA PRO T 54 91.156 8.215 5.399 1.00 0.00 H new ATOM 0 HB2 PRO T 54 93.513 6.898 6.021 1.00 0.00 H new ATOM 0 HB3 PRO T 54 93.348 7.780 4.515 1.00 0.00 H new ATOM 0 HG2 PRO T 54 94.673 8.648 7.082 1.00 0.00 H new ATOM 0 HG3 PRO T 54 95.229 8.858 5.434 1.00 0.00 H new ATOM 0 HD2 PRO T 54 94.017 10.906 6.797 1.00 0.00 H new ATOM 0 HD3 PRO T 54 93.840 10.743 5.061 1.00 0.00 H new ATOM 837 N GLU T 55 91.589 8.665 8.465 1.00 0.00 N ATOM 838 CA GLU T 55 91.209 8.203 9.796 1.00 0.00 C ATOM 839 C GLU T 55 89.691 8.180 9.941 1.00 0.00 C ATOM 840 O GLU T 55 89.137 7.332 10.640 1.00 0.00 O ATOM 841 CB GLU T 55 91.811 9.124 10.859 1.00 0.00 C ATOM 842 CG GLU T 55 91.400 8.637 12.250 1.00 0.00 C ATOM 843 CD GLU T 55 92.189 9.387 13.318 1.00 0.00 C ATOM 844 OE1 GLU T 55 92.643 10.483 13.031 1.00 0.00 O ATOM 845 OE2 GLU T 55 92.326 8.856 14.407 1.00 0.00 O ATOM 0 H GLU T 55 91.870 9.644 8.419 1.00 0.00 H new ATOM 0 HA GLU T 55 91.591 7.191 9.933 1.00 0.00 H new ATOM 0 HB2 GLU T 55 92.898 9.135 10.772 1.00 0.00 H new ATOM 0 HB3 GLU T 55 91.469 10.147 10.705 1.00 0.00 H new ATOM 0 HG2 GLU T 55 90.332 8.793 12.398 1.00 0.00 H new ATOM 0 HG3 GLU T 55 91.581 7.566 12.338 1.00 0.00 H new ATOM 852 N GLU T 56 89.025 9.119 9.275 1.00 0.00 N ATOM 853 CA GLU T 56 87.569 9.198 9.335 1.00 0.00 C ATOM 854 C GLU T 56 86.937 8.179 8.392 1.00 0.00 C ATOM 855 O GLU T 56 86.079 7.395 8.795 1.00 0.00 O ATOM 856 CB GLU T 56 87.107 10.605 8.951 1.00 0.00 C ATOM 857 CG GLU T 56 87.440 11.580 10.082 1.00 0.00 C ATOM 858 CD GLU T 56 86.913 12.971 9.744 1.00 0.00 C ATOM 859 OE1 GLU T 56 86.966 13.337 8.581 1.00 0.00 O ATOM 860 OE2 GLU T 56 86.464 13.650 10.652 1.00 0.00 O ATOM 0 H GLU T 56 89.466 9.830 8.692 1.00 0.00 H new ATOM 0 HA GLU T 56 87.254 8.977 10.355 1.00 0.00 H new ATOM 0 HB2 GLU T 56 87.596 10.921 8.029 1.00 0.00 H new ATOM 0 HB3 GLU T 56 86.034 10.607 8.759 1.00 0.00 H new ATOM 0 HG2 GLU T 56 86.998 11.232 11.015 1.00 0.00 H new ATOM 0 HG3 GLU T 56 88.519 11.618 10.235 1.00 0.00 H new ATOM 867 N LEU T 57 87.366 8.198 7.134 1.00 0.00 N ATOM 868 CA LEU T 57 86.833 7.272 6.141 1.00 0.00 C ATOM 869 C LEU T 57 86.918 5.835 6.646 1.00 0.00 C ATOM 870 O LEU T 57 85.971 5.061 6.502 1.00 0.00 O ATOM 871 CB LEU T 57 87.617 7.398 4.830 1.00 0.00 C ATOM 872 CG LEU T 57 87.569 8.850 4.323 1.00 0.00 C ATOM 873 CD1 LEU T 57 88.690 9.075 3.307 1.00 0.00 C ATOM 874 CD2 LEU T 57 86.219 9.134 3.649 1.00 0.00 C ATOM 0 H LEU T 57 88.076 8.839 6.780 1.00 0.00 H new ATOM 0 HA LEU T 57 85.787 7.524 5.966 1.00 0.00 H new ATOM 0 HB2 LEU T 57 88.652 7.093 4.985 1.00 0.00 H new ATOM 0 HB3 LEU T 57 87.196 6.728 4.080 1.00 0.00 H new ATOM 0 HG LEU T 57 87.695 9.521 5.172 1.00 0.00 H new ATOM 0 HD11 LEU T 57 88.655 10.104 2.949 1.00 0.00 H new ATOM 0 HD12 LEU T 57 89.654 8.888 3.781 1.00 0.00 H new ATOM 0 HD13 LEU T 57 88.561 8.393 2.466 1.00 0.00 H new ATOM 0 HD21 LEU T 57 86.199 10.165 3.295 1.00 0.00 H new ATOM 0 HD22 LEU T 57 86.084 8.458 2.805 1.00 0.00 H new ATOM 0 HD23 LEU T 57 85.414 8.981 4.368 1.00 0.00 H new ATOM 886 N GLN T 58 88.056 5.484 7.238 1.00 0.00 N ATOM 887 CA GLN T 58 88.253 4.133 7.759 1.00 0.00 C ATOM 888 C GLN T 58 87.007 3.658 8.503 1.00 0.00 C ATOM 889 O GLN T 58 86.654 2.479 8.453 1.00 0.00 O ATOM 890 CB GLN T 58 89.468 4.110 8.698 1.00 0.00 C ATOM 891 CG GLN T 58 89.556 2.764 9.433 1.00 0.00 C ATOM 892 CD GLN T 58 89.420 1.606 8.448 1.00 0.00 C ATOM 893 OE1 GLN T 58 88.415 0.894 8.461 1.00 0.00 O ATOM 894 NE2 GLN T 58 90.375 1.372 7.590 1.00 0.00 N ATOM 0 H GLN T 58 88.851 6.110 7.369 1.00 0.00 H new ATOM 0 HA GLN T 58 88.433 3.458 6.922 1.00 0.00 H new ATOM 0 HB2 GLN T 58 90.380 4.279 8.126 1.00 0.00 H new ATOM 0 HB3 GLN T 58 89.391 4.922 9.422 1.00 0.00 H new ATOM 0 HG2 GLN T 58 90.508 2.692 9.959 1.00 0.00 H new ATOM 0 HG3 GLN T 58 88.771 2.702 10.186 1.00 0.00 H new ATOM 0 HE21 GLN T 58 91.207 1.962 7.580 1.00 0.00 H new ATOM 0 HE22 GLN T 58 90.289 0.599 6.930 1.00 0.00 H new ATOM 903 N GLU T 59 86.342 4.580 9.191 1.00 0.00 N ATOM 904 CA GLU T 59 85.137 4.238 9.937 1.00 0.00 C ATOM 905 C GLU T 59 84.160 3.480 9.045 1.00 0.00 C ATOM 906 O GLU T 59 83.659 2.420 9.418 1.00 0.00 O ATOM 907 CB GLU T 59 84.470 5.509 10.466 1.00 0.00 C ATOM 908 CG GLU T 59 85.410 6.208 11.449 1.00 0.00 C ATOM 909 CD GLU T 59 84.761 7.484 11.974 1.00 0.00 C ATOM 910 OE1 GLU T 59 83.569 7.645 11.773 1.00 0.00 O ATOM 911 OE2 GLU T 59 85.466 8.282 12.571 1.00 0.00 O ATOM 0 H GLU T 59 86.614 5.561 9.248 1.00 0.00 H new ATOM 0 HA GLU T 59 85.417 3.602 10.777 1.00 0.00 H new ATOM 0 HB2 GLU T 59 84.229 6.177 9.639 1.00 0.00 H new ATOM 0 HB3 GLU T 59 83.530 5.261 10.959 1.00 0.00 H new ATOM 0 HG2 GLU T 59 85.643 5.541 12.279 1.00 0.00 H new ATOM 0 HG3 GLU T 59 86.353 6.446 10.957 1.00 0.00 H new ATOM 918 N MET T 60 83.897 4.028 7.864 1.00 0.00 N ATOM 919 CA MET T 60 82.981 3.394 6.923 1.00 0.00 C ATOM 920 C MET T 60 83.472 1.992 6.567 1.00 0.00 C ATOM 921 O MET T 60 82.681 1.053 6.472 1.00 0.00 O ATOM 922 CB MET T 60 82.872 4.242 5.648 1.00 0.00 C ATOM 923 CG MET T 60 81.988 5.467 5.908 1.00 0.00 C ATOM 924 SD MET T 60 80.246 4.987 5.795 1.00 0.00 S ATOM 925 CE MET T 60 80.070 5.191 4.005 1.00 0.00 C ATOM 0 H MET T 60 84.302 4.905 7.537 1.00 0.00 H new ATOM 0 HA MET T 60 81.999 3.317 7.390 1.00 0.00 H new ATOM 0 HB2 MET T 60 83.864 4.560 5.327 1.00 0.00 H new ATOM 0 HB3 MET T 60 82.452 3.645 4.839 1.00 0.00 H new ATOM 0 HG2 MET T 60 82.200 5.879 6.895 1.00 0.00 H new ATOM 0 HG3 MET T 60 82.209 6.249 5.182 1.00 0.00 H new ATOM 0 HE1 MET T 60 79.249 4.570 3.647 1.00 0.00 H new ATOM 0 HE2 MET T 60 79.860 6.236 3.777 1.00 0.00 H new ATOM 0 HE3 MET T 60 80.994 4.890 3.512 1.00 0.00 H new ATOM 935 N ILE T 61 84.779 1.861 6.368 1.00 0.00 N ATOM 936 CA ILE T 61 85.368 0.572 6.021 1.00 0.00 C ATOM 937 C ILE T 61 85.558 -0.283 7.272 1.00 0.00 C ATOM 938 O ILE T 61 85.803 -1.484 7.181 1.00 0.00 O ATOM 939 CB ILE T 61 86.721 0.786 5.327 1.00 0.00 C ATOM 940 CG1 ILE T 61 86.500 1.421 3.946 1.00 0.00 C ATOM 941 CG2 ILE T 61 87.431 -0.560 5.149 1.00 0.00 C ATOM 942 CD1 ILE T 61 85.954 2.848 4.090 1.00 0.00 C ATOM 0 H ILE T 61 85.448 2.627 6.440 1.00 0.00 H new ATOM 0 HA ILE T 61 84.692 0.052 5.342 1.00 0.00 H new ATOM 0 HB ILE T 61 87.334 1.445 5.942 1.00 0.00 H new ATOM 0 HG12 ILE T 61 87.439 1.439 3.393 1.00 0.00 H new ATOM 0 HG13 ILE T 61 85.802 0.815 3.368 1.00 0.00 H new ATOM 0 HG21 ILE T 61 88.390 -0.403 4.656 1.00 0.00 H new ATOM 0 HG22 ILE T 61 87.595 -1.017 6.125 1.00 0.00 H new ATOM 0 HG23 ILE T 61 86.813 -1.219 4.539 1.00 0.00 H new ATOM 0 HD11 ILE T 61 85.804 3.282 3.101 1.00 0.00 H new ATOM 0 HD12 ILE T 61 85.004 2.822 4.623 1.00 0.00 H new ATOM 0 HD13 ILE T 61 86.666 3.456 4.648 1.00 0.00 H new ATOM 954 N ASP T 62 85.449 0.344 8.438 1.00 0.00 N ATOM 955 CA ASP T 62 85.620 -0.371 9.699 1.00 0.00 C ATOM 956 C ASP T 62 84.439 -1.299 9.977 1.00 0.00 C ATOM 957 O ASP T 62 84.563 -2.521 9.892 1.00 0.00 O ATOM 958 CB ASP T 62 85.762 0.628 10.848 1.00 0.00 C ATOM 959 CG ASP T 62 86.186 -0.097 12.121 1.00 0.00 C ATOM 960 OD1 ASP T 62 87.319 -0.546 12.174 1.00 0.00 O ATOM 961 OD2 ASP T 62 85.370 -0.192 13.023 1.00 0.00 O ATOM 0 H ASP T 62 85.245 1.338 8.537 1.00 0.00 H new ATOM 0 HA ASP T 62 86.522 -0.977 9.620 1.00 0.00 H new ATOM 0 HB2 ASP T 62 86.499 1.389 10.590 1.00 0.00 H new ATOM 0 HB3 ASP T 62 84.816 1.144 11.011 1.00 0.00 H new ATOM 966 N GLU T 63 83.299 -0.710 10.325 1.00 0.00 N ATOM 967 CA GLU T 63 82.100 -1.485 10.633 1.00 0.00 C ATOM 968 C GLU T 63 81.942 -2.682 9.689 1.00 0.00 C ATOM 969 O GLU T 63 81.590 -3.778 10.125 1.00 0.00 O ATOM 970 CB GLU T 63 80.860 -0.585 10.546 1.00 0.00 C ATOM 971 CG GLU T 63 80.984 0.345 9.337 1.00 0.00 C ATOM 972 CD GLU T 63 79.629 0.968 9.018 1.00 0.00 C ATOM 973 OE1 GLU T 63 78.859 0.336 8.313 1.00 0.00 O ATOM 974 OE2 GLU T 63 79.381 2.069 9.483 1.00 0.00 O ATOM 0 H GLU T 63 83.179 0.300 10.401 1.00 0.00 H new ATOM 0 HA GLU T 63 82.203 -1.871 11.647 1.00 0.00 H new ATOM 0 HB2 GLU T 63 79.961 -1.195 10.457 1.00 0.00 H new ATOM 0 HB3 GLU T 63 80.759 0.001 11.459 1.00 0.00 H new ATOM 0 HG2 GLU T 63 81.714 1.128 9.543 1.00 0.00 H new ATOM 0 HG3 GLU T 63 81.349 -0.213 8.475 1.00 0.00 H new ATOM 981 N VAL T 64 82.191 -2.467 8.402 1.00 0.00 N ATOM 982 CA VAL T 64 82.055 -3.544 7.424 1.00 0.00 C ATOM 983 C VAL T 64 83.211 -4.537 7.530 1.00 0.00 C ATOM 984 O VAL T 64 82.997 -5.749 7.507 1.00 0.00 O ATOM 985 CB VAL T 64 81.993 -2.975 6.003 1.00 0.00 C ATOM 986 CG1 VAL T 64 80.705 -2.169 5.835 1.00 0.00 C ATOM 987 CG2 VAL T 64 83.198 -2.066 5.752 1.00 0.00 C ATOM 0 H VAL T 64 82.484 -1.570 8.014 1.00 0.00 H new ATOM 0 HA VAL T 64 81.126 -4.071 7.641 1.00 0.00 H new ATOM 0 HB VAL T 64 82.009 -3.797 5.287 1.00 0.00 H new ATOM 0 HG11 VAL T 64 80.659 -1.763 4.824 1.00 0.00 H new ATOM 0 HG12 VAL T 64 79.845 -2.817 6.005 1.00 0.00 H new ATOM 0 HG13 VAL T 64 80.691 -1.351 6.555 1.00 0.00 H new ATOM 0 HG21 VAL T 64 83.147 -1.665 4.740 1.00 0.00 H new ATOM 0 HG22 VAL T 64 83.189 -1.244 6.468 1.00 0.00 H new ATOM 0 HG23 VAL T 64 84.117 -2.640 5.869 1.00 0.00 H new ATOM 997 N ASP T 65 84.431 -4.024 7.640 1.00 0.00 N ATOM 998 CA ASP T 65 85.599 -4.892 7.745 1.00 0.00 C ATOM 999 C ASP T 65 85.489 -5.788 8.975 1.00 0.00 C ATOM 1000 O ASP T 65 86.120 -5.533 10.001 1.00 0.00 O ATOM 1001 CB ASP T 65 86.879 -4.050 7.827 1.00 0.00 C ATOM 1002 CG ASP T 65 87.252 -3.525 6.444 1.00 0.00 C ATOM 1003 OD1 ASP T 65 86.377 -3.478 5.594 1.00 0.00 O ATOM 1004 OD2 ASP T 65 88.406 -3.180 6.254 1.00 0.00 O ATOM 0 H ASP T 65 84.637 -3.025 7.659 1.00 0.00 H new ATOM 0 HA ASP T 65 85.642 -5.520 6.855 1.00 0.00 H new ATOM 0 HB2 ASP T 65 86.731 -3.216 8.513 1.00 0.00 H new ATOM 0 HB3 ASP T 65 87.694 -4.652 8.228 1.00 0.00 H new ATOM 1009 N GLU T 66 84.686 -6.840 8.862 1.00 0.00 N ATOM 1010 CA GLU T 66 84.502 -7.770 9.970 1.00 0.00 C ATOM 1011 C GLU T 66 85.760 -8.608 10.172 1.00 0.00 C ATOM 1012 O GLU T 66 86.071 -9.020 11.290 1.00 0.00 O ATOM 1013 CB GLU T 66 83.311 -8.690 9.691 1.00 0.00 C ATOM 1014 CG GLU T 66 82.008 -7.904 9.848 1.00 0.00 C ATOM 1015 CD GLU T 66 81.753 -7.607 11.321 1.00 0.00 C ATOM 1016 OE1 GLU T 66 82.344 -8.277 12.152 1.00 0.00 O ATOM 1017 OE2 GLU T 66 80.970 -6.712 11.598 1.00 0.00 O ATOM 0 H GLU T 66 84.156 -7.069 8.021 1.00 0.00 H new ATOM 0 HA GLU T 66 84.308 -7.196 10.876 1.00 0.00 H new ATOM 0 HB2 GLU T 66 83.382 -9.098 8.683 1.00 0.00 H new ATOM 0 HB3 GLU T 66 83.323 -9.536 10.379 1.00 0.00 H new ATOM 0 HG2 GLU T 66 82.066 -6.972 9.285 1.00 0.00 H new ATOM 0 HG3 GLU T 66 81.177 -8.475 9.434 1.00 0.00 H new ATOM 1024 N ASP T 67 86.481 -8.854 9.083 1.00 0.00 N ATOM 1025 CA ASP T 67 87.706 -9.644 9.150 1.00 0.00 C ATOM 1026 C ASP T 67 88.866 -8.788 9.649 1.00 0.00 C ATOM 1027 O ASP T 67 89.880 -9.310 10.114 1.00 0.00 O ATOM 1028 CB ASP T 67 88.041 -10.206 7.766 1.00 0.00 C ATOM 1029 CG ASP T 67 87.927 -9.108 6.713 1.00 0.00 C ATOM 1030 OD1 ASP T 67 87.706 -7.969 7.093 1.00 0.00 O ATOM 1031 OD2 ASP T 67 88.061 -9.422 5.542 1.00 0.00 O ATOM 0 H ASP T 67 86.241 -8.521 8.149 1.00 0.00 H new ATOM 0 HA ASP T 67 87.550 -10.467 9.847 1.00 0.00 H new ATOM 0 HB2 ASP T 67 89.051 -10.617 7.766 1.00 0.00 H new ATOM 0 HB3 ASP T 67 87.364 -11.025 7.524 1.00 0.00 H new ATOM 1036 N GLY T 68 88.710 -7.472 9.550 1.00 0.00 N ATOM 1037 CA GLY T 68 89.751 -6.553 9.995 1.00 0.00 C ATOM 1038 C GLY T 68 90.896 -6.499 8.991 1.00 0.00 C ATOM 1039 O GLY T 68 92.056 -6.326 9.365 1.00 0.00 O ATOM 0 H GLY T 68 87.879 -7.020 9.168 1.00 0.00 H new ATOM 0 HA2 GLY T 68 89.330 -5.556 10.126 1.00 0.00 H new ATOM 0 HA3 GLY T 68 90.129 -6.869 10.967 1.00 0.00 H new ATOM 1043 N SER T 69 90.562 -6.648 7.712 1.00 0.00 N ATOM 1044 CA SER T 69 91.571 -6.617 6.656 1.00 0.00 C ATOM 1045 C SER T 69 91.903 -5.177 6.275 1.00 0.00 C ATOM 1046 O SER T 69 92.987 -4.896 5.762 1.00 0.00 O ATOM 1047 CB SER T 69 91.061 -7.365 5.426 1.00 0.00 C ATOM 1048 OG SER T 69 90.063 -6.584 4.782 1.00 0.00 O ATOM 0 H SER T 69 89.607 -6.791 7.383 1.00 0.00 H new ATOM 0 HA SER T 69 92.474 -7.101 7.028 1.00 0.00 H new ATOM 0 HB2 SER T 69 91.884 -7.563 4.739 1.00 0.00 H new ATOM 0 HB3 SER T 69 90.651 -8.332 5.718 1.00 0.00 H new ATOM 0 HG SER T 69 90.379 -6.318 3.893 1.00 0.00 H new ATOM 1054 N GLY T 70 90.965 -4.270 6.528 1.00 0.00 N ATOM 1055 CA GLY T 70 91.172 -2.862 6.204 1.00 0.00 C ATOM 1056 C GLY T 70 90.909 -2.601 4.725 1.00 0.00 C ATOM 1057 O GLY T 70 91.576 -1.773 4.104 1.00 0.00 O ATOM 0 H GLY T 70 90.062 -4.481 6.952 1.00 0.00 H new ATOM 0 HA2 GLY T 70 90.510 -2.244 6.810 1.00 0.00 H new ATOM 0 HA3 GLY T 70 92.193 -2.574 6.453 1.00 0.00 H new ATOM 1061 N THR T 71 89.934 -3.314 4.164 1.00 0.00 N ATOM 1062 CA THR T 71 89.589 -3.156 2.751 1.00 0.00 C ATOM 1063 C THR T 71 88.107 -3.441 2.522 1.00 0.00 C ATOM 1064 O THR T 71 87.371 -3.746 3.460 1.00 0.00 O ATOM 1065 CB THR T 71 90.427 -4.113 1.899 1.00 0.00 C ATOM 1066 OG1 THR T 71 90.142 -5.452 2.278 1.00 0.00 O ATOM 1067 CG2 THR T 71 91.914 -3.826 2.110 1.00 0.00 C ATOM 0 H THR T 71 89.371 -4.003 4.662 1.00 0.00 H new ATOM 0 HA THR T 71 89.799 -2.127 2.461 1.00 0.00 H new ATOM 0 HB THR T 71 90.181 -3.971 0.847 1.00 0.00 H new ATOM 0 HG1 THR T 71 90.676 -6.067 1.733 1.00 0.00 H new ATOM 0 HG21 THR T 71 92.506 -4.509 1.502 1.00 0.00 H new ATOM 0 HG22 THR T 71 92.131 -2.799 1.818 1.00 0.00 H new ATOM 0 HG23 THR T 71 92.166 -3.965 3.161 1.00 0.00 H new ATOM 1075 N VAL T 72 87.678 -3.337 1.263 1.00 0.00 N ATOM 1076 CA VAL T 72 86.281 -3.583 0.898 1.00 0.00 C ATOM 1077 C VAL T 72 86.205 -4.451 -0.353 1.00 0.00 C ATOM 1078 O VAL T 72 86.154 -3.940 -1.472 1.00 0.00 O ATOM 1079 CB VAL T 72 85.570 -2.250 0.642 1.00 0.00 C ATOM 1080 CG1 VAL T 72 84.143 -2.508 0.149 1.00 0.00 C ATOM 1081 CG2 VAL T 72 85.523 -1.441 1.942 1.00 0.00 C ATOM 0 H VAL T 72 88.278 -3.084 0.478 1.00 0.00 H new ATOM 0 HA VAL T 72 85.791 -4.105 1.720 1.00 0.00 H new ATOM 0 HB VAL T 72 86.116 -1.691 -0.118 1.00 0.00 H new ATOM 0 HG11 VAL T 72 83.643 -1.557 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL T 72 84.176 -3.082 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL T 72 83.593 -3.070 0.904 1.00 0.00 H new ATOM 0 HG21 VAL T 72 85.018 -0.492 1.762 1.00 0.00 H new ATOM 0 HG22 VAL T 72 84.979 -2.003 2.701 1.00 0.00 H new ATOM 0 HG23 VAL T 72 86.539 -1.251 2.289 1.00 0.00 H new ATOM 1091 N ASP T 73 86.200 -5.766 -0.156 1.00 0.00 N ATOM 1092 CA ASP T 73 86.131 -6.700 -1.275 1.00 0.00 C ATOM 1093 C ASP T 73 84.685 -6.896 -1.719 1.00 0.00 C ATOM 1094 O ASP T 73 83.751 -6.540 -1.000 1.00 0.00 O ATOM 1095 CB ASP T 73 86.731 -8.048 -0.869 1.00 0.00 C ATOM 1096 CG ASP T 73 86.065 -8.554 0.405 1.00 0.00 C ATOM 1097 OD1 ASP T 73 85.135 -7.909 0.859 1.00 0.00 O ATOM 1098 OD2 ASP T 73 86.495 -9.578 0.909 1.00 0.00 O ATOM 0 H ASP T 73 86.243 -6.207 0.763 1.00 0.00 H new ATOM 0 HA ASP T 73 86.702 -6.286 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP T 73 86.595 -8.772 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP T 73 87.805 -7.945 -0.711 1.00 0.00 H new ATOM 1103 N PHE T 74 84.509 -7.463 -2.906 1.00 0.00 N ATOM 1104 CA PHE T 74 83.172 -7.701 -3.443 1.00 0.00 C ATOM 1105 C PHE T 74 82.329 -8.518 -2.465 1.00 0.00 C ATOM 1106 O PHE T 74 81.144 -8.754 -2.703 1.00 0.00 O ATOM 1107 CB PHE T 74 83.277 -8.447 -4.776 1.00 0.00 C ATOM 1108 CG PHE T 74 81.957 -8.372 -5.508 1.00 0.00 C ATOM 1109 CD1 PHE T 74 81.601 -7.202 -6.188 1.00 0.00 C ATOM 1110 CD2 PHE T 74 81.091 -9.474 -5.510 1.00 0.00 C ATOM 1111 CE1 PHE T 74 80.379 -7.131 -6.869 1.00 0.00 C ATOM 1112 CE2 PHE T 74 79.869 -9.402 -6.191 1.00 0.00 C ATOM 1113 CZ PHE T 74 79.514 -8.232 -6.870 1.00 0.00 C ATOM 0 H PHE T 74 85.270 -7.766 -3.514 1.00 0.00 H new ATOM 0 HA PHE T 74 82.687 -6.737 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE T 74 84.068 -8.011 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE T 74 83.548 -9.488 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE T 74 82.269 -6.353 -6.188 1.00 0.00 H new ATOM 0 HD2 PHE T 74 81.366 -10.378 -4.987 1.00 0.00 H new ATOM 0 HE1 PHE T 74 80.104 -6.228 -7.393 1.00 0.00 H new ATOM 0 HE2 PHE T 74 79.201 -10.250 -6.192 1.00 0.00 H new ATOM 0 HZ PHE T 74 78.572 -8.178 -7.395 1.00 0.00 H new ATOM 1123 N ASP T 75 82.945 -8.950 -1.368 1.00 0.00 N ATOM 1124 CA ASP T 75 82.238 -9.744 -0.366 1.00 0.00 C ATOM 1125 C ASP T 75 81.440 -8.847 0.579 1.00 0.00 C ATOM 1126 O ASP T 75 80.237 -8.660 0.401 1.00 0.00 O ATOM 1127 CB ASP T 75 83.238 -10.577 0.439 1.00 0.00 C ATOM 1128 CG ASP T 75 84.043 -11.471 -0.498 1.00 0.00 C ATOM 1129 OD1 ASP T 75 84.630 -10.944 -1.428 1.00 0.00 O ATOM 1130 OD2 ASP T 75 84.060 -12.670 -0.272 1.00 0.00 O ATOM 0 H ASP T 75 83.924 -8.766 -1.151 1.00 0.00 H new ATOM 0 HA ASP T 75 81.544 -10.406 -0.884 1.00 0.00 H new ATOM 0 HB2 ASP T 75 83.908 -9.920 0.994 1.00 0.00 H new ATOM 0 HB3 ASP T 75 82.710 -11.186 1.172 1.00 0.00 H new ATOM 1135 N GLU T 76 82.114 -8.304 1.589 1.00 0.00 N ATOM 1136 CA GLU T 76 81.451 -7.439 2.559 1.00 0.00 C ATOM 1137 C GLU T 76 80.916 -6.175 1.889 1.00 0.00 C ATOM 1138 O GLU T 76 80.359 -5.300 2.551 1.00 0.00 O ATOM 1139 CB GLU T 76 82.427 -7.060 3.679 1.00 0.00 C ATOM 1140 CG GLU T 76 83.488 -6.096 3.138 1.00 0.00 C ATOM 1141 CD GLU T 76 84.653 -5.993 4.117 1.00 0.00 C ATOM 1142 OE1 GLU T 76 84.851 -6.927 4.877 1.00 0.00 O ATOM 1143 OE2 GLU T 76 85.332 -4.979 4.092 1.00 0.00 O ATOM 0 H GLU T 76 83.110 -8.446 1.756 1.00 0.00 H new ATOM 0 HA GLU T 76 80.609 -7.987 2.983 1.00 0.00 H new ATOM 0 HB2 GLU T 76 81.886 -6.595 4.503 1.00 0.00 H new ATOM 0 HB3 GLU T 76 82.905 -7.956 4.076 1.00 0.00 H new ATOM 0 HG2 GLU T 76 83.847 -6.445 2.170 1.00 0.00 H new ATOM 0 HG3 GLU T 76 83.048 -5.111 2.979 1.00 0.00 H new ATOM 1150 N PHE T 77 81.086 -6.087 0.574 1.00 0.00 N ATOM 1151 CA PHE T 77 80.612 -4.925 -0.168 1.00 0.00 C ATOM 1152 C PHE T 77 79.096 -4.981 -0.330 1.00 0.00 C ATOM 1153 O PHE T 77 78.405 -3.980 -0.139 1.00 0.00 O ATOM 1154 CB PHE T 77 81.282 -4.876 -1.546 1.00 0.00 C ATOM 1155 CG PHE T 77 80.687 -3.750 -2.364 1.00 0.00 C ATOM 1156 CD1 PHE T 77 80.823 -2.426 -1.930 1.00 0.00 C ATOM 1157 CD2 PHE T 77 80.002 -4.028 -3.556 1.00 0.00 C ATOM 1158 CE1 PHE T 77 80.275 -1.381 -2.684 1.00 0.00 C ATOM 1159 CE2 PHE T 77 79.454 -2.983 -4.309 1.00 0.00 C ATOM 1160 CZ PHE T 77 79.591 -1.660 -3.873 1.00 0.00 C ATOM 0 H PHE T 77 81.544 -6.799 0.005 1.00 0.00 H new ATOM 0 HA PHE T 77 80.872 -4.025 0.389 1.00 0.00 H new ATOM 0 HB2 PHE T 77 82.356 -4.728 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE T 77 81.143 -5.826 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE T 77 81.351 -2.210 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE T 77 79.897 -5.049 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE T 77 80.380 -0.360 -2.348 1.00 0.00 H new ATOM 0 HE2 PHE T 77 78.926 -3.197 -5.226 1.00 0.00 H new ATOM 0 HZ PHE T 77 79.169 -0.854 -4.454 1.00 0.00 H new ATOM 1170 N LEU T 78 78.585 -6.156 -0.680 1.00 0.00 N ATOM 1171 CA LEU T 78 77.148 -6.330 -0.860 1.00 0.00 C ATOM 1172 C LEU T 78 76.437 -6.313 0.488 1.00 0.00 C ATOM 1173 O LEU T 78 75.260 -6.660 0.585 1.00 0.00 O ATOM 1174 CB LEU T 78 76.864 -7.656 -1.571 1.00 0.00 C ATOM 1175 CG LEU T 78 77.711 -7.764 -2.843 1.00 0.00 C ATOM 1176 CD1 LEU T 78 77.538 -9.159 -3.447 1.00 0.00 C ATOM 1177 CD2 LEU T 78 77.262 -6.705 -3.864 1.00 0.00 C ATOM 0 H LEU T 78 79.139 -6.997 -0.844 1.00 0.00 H new ATOM 0 HA LEU T 78 76.775 -5.506 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU T 78 77.087 -8.490 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU T 78 75.806 -7.723 -1.823 1.00 0.00 H new ATOM 0 HG LEU T 78 78.759 -7.597 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU T 78 78.139 -9.240 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU T 78 77.863 -9.910 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU T 78 76.488 -9.322 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU T 78 77.869 -6.788 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU T 78 76.214 -6.864 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU T 78 77.385 -5.711 -3.435 1.00 0.00 H new ATOM 1189 N VAL T 79 77.162 -5.910 1.532 1.00 0.00 N ATOM 1190 CA VAL T 79 76.599 -5.849 2.883 1.00 0.00 C ATOM 1191 C VAL T 79 76.340 -4.402 3.293 1.00 0.00 C ATOM 1192 O VAL T 79 75.307 -4.092 3.884 1.00 0.00 O ATOM 1193 CB VAL T 79 77.569 -6.490 3.878 1.00 0.00 C ATOM 1194 CG1 VAL T 79 76.978 -6.419 5.286 1.00 0.00 C ATOM 1195 CG2 VAL T 79 77.797 -7.953 3.494 1.00 0.00 C ATOM 0 H VAL T 79 78.138 -5.621 1.469 1.00 0.00 H new ATOM 0 HA VAL T 79 75.654 -6.392 2.887 1.00 0.00 H new ATOM 0 HB VAL T 79 78.518 -5.955 3.856 1.00 0.00 H new ATOM 0 HG11 VAL T 79 77.669 -6.876 5.994 1.00 0.00 H new ATOM 0 HG12 VAL T 79 76.814 -5.377 5.560 1.00 0.00 H new ATOM 0 HG13 VAL T 79 76.029 -6.954 5.309 1.00 0.00 H new ATOM 0 HG21 VAL T 79 78.488 -8.411 4.202 1.00 0.00 H new ATOM 0 HG22 VAL T 79 76.847 -8.487 3.516 1.00 0.00 H new ATOM 0 HG23 VAL T 79 78.219 -8.004 2.490 1.00 0.00 H new ATOM 1205 N MET T 80 77.286 -3.523 2.980 1.00 0.00 N ATOM 1206 CA MET T 80 77.149 -2.112 3.327 1.00 0.00 C ATOM 1207 C MET T 80 75.934 -1.497 2.636 1.00 0.00 C ATOM 1208 O MET T 80 75.193 -0.721 3.238 1.00 0.00 O ATOM 1209 CB MET T 80 78.414 -1.345 2.916 1.00 0.00 C ATOM 1210 CG MET T 80 78.481 -0.003 3.660 1.00 0.00 C ATOM 1211 SD MET T 80 79.483 1.166 2.707 1.00 0.00 S ATOM 1212 CE MET T 80 81.105 0.624 3.296 1.00 0.00 C ATOM 0 H MET T 80 78.149 -3.759 2.491 1.00 0.00 H new ATOM 0 HA MET T 80 77.011 -2.039 4.406 1.00 0.00 H new ATOM 0 HB2 MET T 80 79.299 -1.940 3.142 1.00 0.00 H new ATOM 0 HB3 MET T 80 78.411 -1.173 1.840 1.00 0.00 H new ATOM 0 HG2 MET T 80 77.477 0.396 3.804 1.00 0.00 H new ATOM 0 HG3 MET T 80 78.913 -0.145 4.651 1.00 0.00 H new ATOM 0 HE1 MET T 80 81.853 1.376 3.045 1.00 0.00 H new ATOM 0 HE2 MET T 80 81.074 0.491 4.377 1.00 0.00 H new ATOM 0 HE3 MET T 80 81.367 -0.322 2.821 1.00 0.00 H new ATOM 1222 N MET T 81 75.741 -1.844 1.367 1.00 0.00 N ATOM 1223 CA MET T 81 74.618 -1.312 0.601 1.00 0.00 C ATOM 1224 C MET T 81 73.324 -2.044 0.948 1.00 0.00 C ATOM 1225 O MET T 81 72.372 -1.439 1.443 1.00 0.00 O ATOM 1226 CB MET T 81 74.899 -1.452 -0.896 1.00 0.00 C ATOM 1227 CG MET T 81 76.275 -0.862 -1.211 1.00 0.00 C ATOM 1228 SD MET T 81 76.456 -0.675 -3.004 1.00 0.00 S ATOM 1229 CE MET T 81 77.464 0.827 -2.981 1.00 0.00 C ATOM 0 H MET T 81 76.342 -2.486 0.850 1.00 0.00 H new ATOM 0 HA MET T 81 74.499 -0.259 0.856 1.00 0.00 H new ATOM 0 HB2 MET T 81 74.866 -2.502 -1.187 1.00 0.00 H new ATOM 0 HB3 MET T 81 74.130 -0.937 -1.472 1.00 0.00 H new ATOM 0 HG2 MET T 81 76.389 0.105 -0.720 1.00 0.00 H new ATOM 0 HG3 MET T 81 77.059 -1.512 -0.821 1.00 0.00 H new ATOM 0 HE1 MET T 81 77.755 1.085 -3.999 1.00 0.00 H new ATOM 0 HE2 MET T 81 76.888 1.645 -2.550 1.00 0.00 H new ATOM 0 HE3 MET T 81 78.357 0.656 -2.380 1.00 0.00 H new ATOM 1239 N VAL T 82 73.292 -3.347 0.680 1.00 0.00 N ATOM 1240 CA VAL T 82 72.104 -4.151 0.961 1.00 0.00 C ATOM 1241 C VAL T 82 71.492 -3.770 2.309 1.00 0.00 C ATOM 1242 O VAL T 82 70.270 -3.722 2.452 1.00 0.00 O ATOM 1243 CB VAL T 82 72.469 -5.637 0.959 1.00 0.00 C ATOM 1244 CG1 VAL T 82 71.253 -6.468 1.377 1.00 0.00 C ATOM 1245 CG2 VAL T 82 72.904 -6.049 -0.449 1.00 0.00 C ATOM 0 H VAL T 82 74.069 -3.866 0.271 1.00 0.00 H new ATOM 0 HA VAL T 82 71.367 -3.956 0.182 1.00 0.00 H new ATOM 0 HB VAL T 82 73.284 -5.810 1.662 1.00 0.00 H new ATOM 0 HG11 VAL T 82 71.517 -7.526 1.374 1.00 0.00 H new ATOM 0 HG12 VAL T 82 70.939 -6.175 2.379 1.00 0.00 H new ATOM 0 HG13 VAL T 82 70.436 -6.296 0.676 1.00 0.00 H new ATOM 0 HG21 VAL T 82 73.165 -7.107 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL T 82 72.087 -5.873 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL T 82 73.771 -5.460 -0.749 1.00 0.00 H new ATOM 1255 N ARG T 83 72.345 -3.499 3.292 1.00 0.00 N ATOM 1256 CA ARG T 83 71.867 -3.124 4.618 1.00 0.00 C ATOM 1257 C ARG T 83 71.370 -1.681 4.619 1.00 0.00 C ATOM 1258 O ARG T 83 70.210 -1.416 4.930 1.00 0.00 O ATOM 1259 CB ARG T 83 72.991 -3.279 5.645 1.00 0.00 C ATOM 1260 CG ARG T 83 73.249 -4.765 5.902 1.00 0.00 C ATOM 1261 CD ARG T 83 74.341 -4.918 6.960 1.00 0.00 C ATOM 1262 NE ARG T 83 73.862 -4.440 8.252 1.00 0.00 N ATOM 1263 CZ ARG T 83 74.672 -4.376 9.304 1.00 0.00 C ATOM 1264 NH1 ARG T 83 75.918 -4.746 9.193 1.00 0.00 N ATOM 1265 NH2 ARG T 83 74.219 -3.944 10.450 1.00 0.00 N ATOM 0 H ARG T 83 73.360 -3.531 3.198 1.00 0.00 H new ATOM 0 HA ARG T 83 71.041 -3.783 4.884 1.00 0.00 H new ATOM 0 HB2 ARG T 83 73.899 -2.799 5.280 1.00 0.00 H new ATOM 0 HB3 ARG T 83 72.719 -2.780 6.575 1.00 0.00 H new ATOM 0 HG2 ARG T 83 72.333 -5.251 6.237 1.00 0.00 H new ATOM 0 HG3 ARG T 83 73.552 -5.257 4.978 1.00 0.00 H new ATOM 0 HD2 ARG T 83 74.637 -5.964 7.038 1.00 0.00 H new ATOM 0 HD3 ARG T 83 75.227 -4.357 6.662 1.00 0.00 H new ATOM 0 HE ARG T 83 72.889 -4.150 8.350 1.00 0.00 H new ATOM 0 HH11 ARG T 83 76.272 -5.085 8.298 1.00 0.00 H new ATOM 0 HH12 ARG T 83 76.539 -4.696 10.001 1.00 0.00 H new ATOM 0 HH21 ARG T 83 73.244 -3.656 10.537 1.00 0.00 H new ATOM 0 HH22 ARG T 83 74.840 -3.895 11.258 1.00 0.00 H new ATOM 1279 N SER T 84 72.256 -0.754 4.269 1.00 0.00 N ATOM 1280 CA SER T 84 71.895 0.658 4.234 1.00 0.00 C ATOM 1281 C SER T 84 70.634 0.868 3.400 1.00 0.00 C ATOM 1282 O SER T 84 69.884 1.818 3.620 1.00 0.00 O ATOM 1283 CB SER T 84 73.042 1.476 3.641 1.00 0.00 C ATOM 1284 OG SER T 84 74.197 1.325 4.458 1.00 0.00 O ATOM 0 H SER T 84 73.222 -0.953 4.008 1.00 0.00 H new ATOM 0 HA SER T 84 71.702 0.990 5.254 1.00 0.00 H new ATOM 0 HB2 SER T 84 73.255 1.143 2.625 1.00 0.00 H new ATOM 0 HB3 SER T 84 72.761 2.527 3.579 1.00 0.00 H new ATOM 0 HG SER T 84 74.839 0.734 4.011 1.00 0.00 H new ATOM 1290 N MET T 85 70.410 -0.025 2.442 1.00 0.00 N ATOM 1291 CA MET T 85 69.238 0.072 1.580 1.00 0.00 C ATOM 1292 C MET T 85 67.974 -0.297 2.351 1.00 0.00 C ATOM 1293 O MET T 85 67.182 0.571 2.716 1.00 0.00 O ATOM 1294 CB MET T 85 69.394 -0.862 0.377 1.00 0.00 C ATOM 1295 CG MET T 85 70.436 -0.287 -0.586 1.00 0.00 C ATOM 1296 SD MET T 85 69.715 1.102 -1.497 1.00 0.00 S ATOM 1297 CE MET T 85 70.920 1.139 -2.845 1.00 0.00 C ATOM 0 H MET T 85 71.020 -0.818 2.244 1.00 0.00 H new ATOM 0 HA MET T 85 69.151 1.101 1.232 1.00 0.00 H new ATOM 0 HB2 MET T 85 69.700 -1.854 0.711 1.00 0.00 H new ATOM 0 HB3 MET T 85 68.438 -0.978 -0.133 1.00 0.00 H new ATOM 0 HG2 MET T 85 71.315 0.044 -0.032 1.00 0.00 H new ATOM 0 HG3 MET T 85 70.769 -1.058 -1.281 1.00 0.00 H new ATOM 0 HE1 MET T 85 70.664 1.938 -3.540 1.00 0.00 H new ATOM 0 HE2 MET T 85 71.915 1.317 -2.438 1.00 0.00 H new ATOM 0 HE3 MET T 85 70.908 0.184 -3.370 1.00 0.00 H new ATOM 1307 N LYS T 86 67.793 -1.592 2.594 1.00 0.00 N ATOM 1308 CA LYS T 86 66.620 -2.067 3.321 1.00 0.00 C ATOM 1309 C LYS T 86 66.374 -1.211 4.560 1.00 0.00 C ATOM 1310 O LYS T 86 65.246 -1.112 5.043 1.00 0.00 O ATOM 1311 CB LYS T 86 66.820 -3.525 3.739 1.00 0.00 C ATOM 1312 CG LYS T 86 65.485 -4.113 4.198 1.00 0.00 C ATOM 1313 CD LYS T 86 65.711 -5.522 4.750 1.00 0.00 C ATOM 1314 CE LYS T 86 64.361 -6.175 5.053 1.00 0.00 C ATOM 1315 NZ LYS T 86 63.595 -5.316 5.999 1.00 0.00 N ATOM 0 H LYS T 86 68.438 -2.326 2.301 1.00 0.00 H new ATOM 0 HA LYS T 86 65.754 -1.992 2.663 1.00 0.00 H new ATOM 0 HB2 LYS T 86 67.216 -4.103 2.904 1.00 0.00 H new ATOM 0 HB3 LYS T 86 67.552 -3.586 4.544 1.00 0.00 H new ATOM 0 HG2 LYS T 86 65.040 -3.478 4.964 1.00 0.00 H new ATOM 0 HG3 LYS T 86 64.784 -4.146 3.364 1.00 0.00 H new ATOM 0 HD2 LYS T 86 66.263 -6.123 4.027 1.00 0.00 H new ATOM 0 HD3 LYS T 86 66.316 -5.476 5.655 1.00 0.00 H new ATOM 0 HE2 LYS T 86 63.796 -6.312 4.131 1.00 0.00 H new ATOM 0 HE3 LYS T 86 64.512 -7.164 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS T 86 62.827 -5.871 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS T 86 64.230 -4.970 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS T 86 63.192 -4.507 5.485 1.00 0.00 H new ATOM 1329 N ASP T 87 67.436 -0.594 5.069 1.00 0.00 N ATOM 1330 CA ASP T 87 67.324 0.253 6.253 1.00 0.00 C ATOM 1331 C ASP T 87 68.501 1.219 6.332 1.00 0.00 C ATOM 1332 O ASP T 87 69.643 0.807 6.537 1.00 0.00 O ATOM 1333 CB ASP T 87 67.288 -0.615 7.513 1.00 0.00 C ATOM 1334 CG ASP T 87 66.021 -1.463 7.525 1.00 0.00 C ATOM 1335 OD1 ASP T 87 66.027 -2.510 6.899 1.00 0.00 O ATOM 1336 OD2 ASP T 87 65.064 -1.054 8.161 1.00 0.00 O ATOM 0 H ASP T 87 68.378 -0.663 4.684 1.00 0.00 H new ATOM 0 HA ASP T 87 66.401 0.828 6.181 1.00 0.00 H new ATOM 0 HB2 ASP T 87 68.167 -1.259 7.546 1.00 0.00 H new ATOM 0 HB3 ASP T 87 67.321 0.016 8.401 1.00 0.00 H new ATOM 1341 N ASP T 88 68.215 2.507 6.169 1.00 0.00 N ATOM 1342 CA ASP T 88 69.258 3.524 6.223 1.00 0.00 C ATOM 1343 C ASP T 88 69.641 3.823 7.670 1.00 0.00 C ATOM 1344 O ASP T 88 68.843 4.366 8.433 1.00 0.00 O ATOM 1345 CB ASP T 88 68.772 4.808 5.547 1.00 0.00 C ATOM 1346 CG ASP T 88 67.595 5.392 6.322 1.00 0.00 C ATOM 1347 OD1 ASP T 88 66.740 4.623 6.729 1.00 0.00 O ATOM 1348 OD2 ASP T 88 67.567 6.599 6.497 1.00 0.00 O ATOM 0 H ASP T 88 67.277 2.869 6.000 1.00 0.00 H new ATOM 0 HA ASP T 88 70.135 3.146 5.697 1.00 0.00 H new ATOM 0 HB2 ASP T 88 69.584 5.534 5.501 1.00 0.00 H new ATOM 0 HB3 ASP T 88 68.473 4.598 4.520 1.00 0.00 H new ATOM 1353 N SER T 89 70.866 3.463 8.039 1.00 0.00 N ATOM 1354 CA SER T 89 71.345 3.698 9.396 1.00 0.00 C ATOM 1355 C SER T 89 72.866 3.611 9.450 1.00 0.00 C ATOM 1356 O SER T 89 73.406 2.666 8.899 1.00 0.00 O ATOM 1357 CB SER T 89 70.738 2.668 10.349 1.00 0.00 C ATOM 1358 OG SER T 89 71.127 1.363 9.938 1.00 0.00 O ATOM 1359 OXT SER T 89 73.470 4.491 10.042 1.00 0.00 O ATOM 0 H SER T 89 71.541 3.011 7.422 1.00 0.00 H new ATOM 0 HA SER T 89 71.040 4.699 9.701 1.00 0.00 H new ATOM 0 HB2 SER T 89 71.074 2.856 11.369 1.00 0.00 H new ATOM 0 HB3 SER T 89 69.651 2.753 10.351 1.00 0.00 H new ATOM 0 HG SER T 89 71.982 1.411 9.461 1.00 0.00 H new TER 1365 SER T 89 HETATM 1366 CA CA T 90 87.467 -6.012 5.105 1.00 0.00 CA HETATM 1367 S1 WW7 T 91 80.310 3.983 -5.028 1.00 0.00 S HETATM 1368 O1 WW7 T 91 80.882 3.348 -6.169 1.00 0.00 O HETATM 1369 O2 WW7 T 91 80.014 5.390 -5.156 1.00 0.00 O HETATM 1370 N1 WW7 T 91 78.809 3.164 -4.707 1.00 0.00 N HETATM 1371 C4 WW7 T 91 83.082 3.548 -1.232 1.00 0.00 C HETATM 1372 C3 WW7 T 91 82.362 4.779 -1.516 1.00 0.00 C HETATM 1373 C2 WW7 T 91 81.512 4.895 -2.702 1.00 0.00 C HETATM 1374 C1 WW7 T 91 81.364 3.776 -3.623 1.00 0.00 C HETATM 1375 C9 WW7 T 91 82.075 2.531 -3.370 1.00 0.00 C HETATM 1376 C10 WW7 T 91 82.956 2.415 -2.141 1.00 0.00 C HETATM 1377 CL1 WW7 T 91 84.659 0.933 -0.499 1.00 0.00 CL HETATM 1378 C5 WW7 T 91 83.654 1.162 -1.884 1.00 0.00 C HETATM 1379 C6 WW7 T 91 83.507 0.039 -2.798 1.00 0.00 C HETATM 1380 C7 WW7 T 91 82.656 0.157 -3.984 1.00 0.00 C HETATM 1381 C8 WW7 T 91 81.942 1.393 -4.273 1.00 0.00 C HETATM 1382 C11 WW7 T 91 77.728 3.955 -4.118 1.00 0.00 C HETATM 1383 C12 WW7 T 91 78.162 4.820 -2.934 1.00 0.00 C HETATM 1384 C14 WW7 T 91 78.969 3.904 -0.748 1.00 0.00 C HETATM 1385 C13 WW7 T 91 77.740 4.162 -1.620 1.00 0.00 C HETATM 1386 C15 WW7 T 91 78.878 2.506 -0.128 1.00 0.00 C HETATM 1387 C16 WW7 T 91 80.163 1.723 -0.412 1.00 0.00 C HETATM 1388 N2 WW7 T 91 81.178 1.913 0.611 1.00 0.00 N HETATM 0 HN22 WW7 T 91 82.078 1.441 0.530 1.00 0.00 H new HETATM 0 HN21 WW7 T 91 80.990 2.519 1.410 1.00 0.00 H new HETATM 0 H162 WW7 T 91 79.926 0.662 -0.489 1.00 0.00 H new HETATM 0 H161 WW7 T 91 80.565 2.031 -1.377 1.00 0.00 H new HETATM 0 H152 WW7 T 91 78.721 2.586 0.948 1.00 0.00 H new HETATM 0 H151 WW7 T 91 78.020 1.973 -0.537 1.00 0.00 H new HETATM 0 H142 WW7 T 91 79.876 3.988 -1.347 1.00 0.00 H new HETATM 0 H141 WW7 T 91 79.034 4.657 0.037 1.00 0.00 H new HETATM 0 H132 WW7 T 91 77.037 4.805 -1.091 1.00 0.00 H new HETATM 0 H131 WW7 T 91 77.224 3.224 -1.823 1.00 0.00 H new HETATM 0 H122 WW7 T 91 79.243 4.957 -2.950 1.00 0.00 H new HETATM 0 H121 WW7 T 91 77.714 5.811 -3.014 1.00 0.00 H new HETATM 0 H112 WW7 T 91 77.302 4.599 -4.888 1.00 0.00 H new HETATM 0 H111 WW7 T 91 76.936 3.282 -3.791 1.00 0.00 H new HETATM 0 HN1 WW7 T 91 78.688 2.174 -4.920 1.00 0.00 H new HETATM 0 H8 WW7 T 91 81.312 1.467 -5.159 1.00 0.00 H new HETATM 0 H7 WW7 T 91 82.556 -0.692 -4.660 1.00 0.00 H new HETATM 0 H6 WW7 T 91 84.033 -0.895 -2.599 1.00 0.00 H new HETATM 0 H4 WW7 T 91 83.712 3.473 -0.345 1.00 0.00 H new HETATM 0 H3 WW7 T 91 82.456 5.626 -0.837 1.00 0.00 H new HETATM 0 H2 WW7 T 91 80.984 5.828 -2.898 1.00 0.00 H new