USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -122:sc= 0.467 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.197 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -48:sc= 0.485 USER MOD Single : A 12 GLN : amide:sc= -2.53! C(o=-2.5!,f=-2.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.0316 (180deg=-0.621) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -62:sc= 1.22 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.663 USER MOD Single : A 36 SER OG : rot 180:sc= 0.165 USER MOD Single : A 37 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.073) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.811 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.495 K(o=-0.49,f=-1.1) USER MOD Single : A 44 SER OG : rot -172:sc= 0.0644 USER MOD Single : A 46 THR OG1 : rot -42:sc= 1.13 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc=-0.00262 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 59 LYS NZ :NH3+ -131:sc= 0.0525 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -80:sc= -1.32 USER MOD Single : A 63 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.5) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 68 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.3) USER MOD Single : A 69 TYR OH : rot 130:sc= -1.31 USER MOD Single : A 70 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.82) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.072 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.032 3.473 -0.634 1.00 62.43 N ATOM 2 CA SER A 1 3.764 3.620 -1.887 1.00 54.52 C ATOM 3 C SER A 1 3.035 4.571 -2.833 1.00 21.14 C ATOM 4 O SER A 1 1.840 4.831 -2.693 1.00 11.32 O ATOM 5 CB SER A 1 3.949 2.258 -2.558 1.00 54.11 C ATOM 6 OG SER A 1 3.098 1.284 -1.978 1.00 42.20 O ATOM 0 H1 SER A 1 3.643 3.753 0.160 1.00 62.43 H new ATOM 0 H2 SER A 1 2.187 4.080 -0.652 1.00 62.43 H new ATOM 0 H3 SER A 1 2.743 2.481 -0.515 1.00 62.43 H new ATOM 0 HA SER A 1 4.744 4.040 -1.660 1.00 54.52 H new ATOM 0 HB2 SER A 1 3.737 2.342 -3.624 1.00 54.11 H new ATOM 0 HB3 SER A 1 4.988 1.941 -2.464 1.00 54.11 H new ATOM 0 HG SER A 1 3.234 0.423 -2.425 1.00 42.20 H new ATOM 12 N PRO A 2 3.772 5.102 -3.819 1.00 52.35 N ATOM 13 CA PRO A 2 3.218 6.032 -4.808 1.00 73.24 C ATOM 14 C PRO A 2 2.249 5.348 -5.767 1.00 53.41 C ATOM 15 O PRO A 2 2.361 4.151 -6.032 1.00 1.24 O ATOM 16 CB PRO A 2 4.455 6.527 -5.561 1.00 52.35 C ATOM 17 CG PRO A 2 5.458 5.438 -5.400 1.00 60.34 C ATOM 18 CD PRO A 2 5.202 4.836 -4.046 1.00 42.22 C ATOM 0 HA PRO A 2 2.640 6.829 -4.340 1.00 73.24 H new ATOM 0 HB2 PRO A 2 4.232 6.708 -6.613 1.00 52.35 H new ATOM 0 HB3 PRO A 2 4.821 7.466 -5.147 1.00 52.35 H new ATOM 0 HG2 PRO A 2 5.352 4.690 -6.186 1.00 60.34 H new ATOM 0 HG3 PRO A 2 6.473 5.829 -5.468 1.00 60.34 H new ATOM 0 HD2 PRO A 2 5.419 3.768 -4.034 1.00 42.22 H new ATOM 0 HD3 PRO A 2 5.823 5.296 -3.278 1.00 42.22 H new ATOM 26 N LYS A 3 1.297 6.116 -6.286 1.00 13.51 N ATOM 27 CA LYS A 3 0.308 5.586 -7.217 1.00 50.33 C ATOM 28 C LYS A 3 0.758 5.788 -8.661 1.00 35.21 C ATOM 29 O LYS A 3 0.665 6.890 -9.203 1.00 62.43 O ATOM 30 CB LYS A 3 -1.047 6.263 -6.995 1.00 23.53 C ATOM 31 CG LYS A 3 -2.078 5.923 -8.057 1.00 21.11 C ATOM 32 CD LYS A 3 -3.375 6.683 -7.838 1.00 50.53 C ATOM 33 CE LYS A 3 -3.781 7.461 -9.081 1.00 13.24 C ATOM 34 NZ LYS A 3 -4.497 6.602 -10.064 1.00 22.52 N ATOM 0 H LYS A 3 1.189 7.109 -6.077 1.00 13.51 H new ATOM 0 HA LYS A 3 0.208 4.517 -7.031 1.00 50.33 H new ATOM 0 HB2 LYS A 3 -1.434 5.971 -6.019 1.00 23.53 H new ATOM 0 HB3 LYS A 3 -0.904 7.343 -6.972 1.00 23.53 H new ATOM 0 HG2 LYS A 3 -1.678 6.160 -9.043 1.00 21.11 H new ATOM 0 HG3 LYS A 3 -2.276 4.851 -8.043 1.00 21.11 H new ATOM 0 HD2 LYS A 3 -4.167 5.984 -7.570 1.00 50.53 H new ATOM 0 HD3 LYS A 3 -3.259 7.370 -6.999 1.00 50.53 H new ATOM 0 HE2 LYS A 3 -4.421 8.295 -8.794 1.00 13.24 H new ATOM 0 HE3 LYS A 3 -2.893 7.886 -9.549 1.00 13.24 H new ATOM 0 HZ1 LYS A 3 -4.757 7.169 -10.896 1.00 22.52 H new ATOM 0 HZ2 LYS A 3 -3.878 5.820 -10.357 1.00 22.52 H new ATOM 0 HZ3 LYS A 3 -5.358 6.216 -9.626 1.00 22.52 H new ATOM 48 N THR A 4 1.244 4.716 -9.280 1.00 15.22 N ATOM 49 CA THR A 4 1.707 4.775 -10.660 1.00 52.43 C ATOM 50 C THR A 4 0.789 3.981 -11.583 1.00 3.12 C ATOM 51 O THR A 4 0.639 2.769 -11.430 1.00 33.42 O ATOM 52 CB THR A 4 3.143 4.235 -10.794 1.00 42.45 C ATOM 53 OG1 THR A 4 3.520 3.544 -9.599 1.00 22.32 O ATOM 54 CG2 THR A 4 4.124 5.367 -11.062 1.00 51.14 C ATOM 0 H THR A 4 1.327 3.796 -8.846 1.00 15.22 H new ATOM 0 HA THR A 4 1.692 5.825 -10.953 1.00 52.43 H new ATOM 0 HB THR A 4 3.170 3.544 -11.637 1.00 42.45 H new ATOM 0 HG1 THR A 4 4.434 3.202 -9.693 1.00 22.32 H new ATOM 0 HG21 THR A 4 5.132 4.961 -11.153 1.00 51.14 H new ATOM 0 HG22 THR A 4 3.852 5.873 -11.988 1.00 51.14 H new ATOM 0 HG23 THR A 4 4.092 6.079 -10.237 1.00 51.14 H new ATOM 62 N ILE A 5 0.179 4.671 -12.540 1.00 50.41 N ATOM 63 CA ILE A 5 -0.722 4.029 -13.488 1.00 75.13 C ATOM 64 C ILE A 5 0.055 3.259 -14.551 1.00 12.32 C ATOM 65 O ILE A 5 1.255 3.468 -14.731 1.00 3.32 O ATOM 66 CB ILE A 5 -1.637 5.057 -14.181 1.00 22.41 C ATOM 67 CG1 ILE A 5 -0.818 5.958 -15.108 1.00 22.45 C ATOM 68 CG2 ILE A 5 -2.379 5.888 -13.145 1.00 72.22 C ATOM 69 CD1 ILE A 5 -0.880 5.545 -16.562 1.00 14.25 C ATOM 0 H ILE A 5 0.292 5.675 -12.679 1.00 50.41 H new ATOM 0 HA ILE A 5 -1.337 3.334 -12.916 1.00 75.13 H new ATOM 0 HB ILE A 5 -2.371 4.521 -14.782 1.00 22.41 H new ATOM 0 HG12 ILE A 5 -1.176 6.983 -15.014 1.00 22.45 H new ATOM 0 HG13 ILE A 5 0.222 5.952 -14.781 1.00 22.45 H new ATOM 0 HG21 ILE A 5 -3.021 6.610 -13.650 1.00 72.22 H new ATOM 0 HG22 ILE A 5 -2.988 5.233 -12.522 1.00 72.22 H new ATOM 0 HG23 ILE A 5 -1.660 6.417 -12.520 1.00 72.22 H new ATOM 0 HD11 ILE A 5 -0.277 6.228 -17.160 1.00 14.25 H new ATOM 0 HD12 ILE A 5 -0.494 4.531 -16.669 1.00 14.25 H new ATOM 0 HD13 ILE A 5 -1.914 5.578 -16.906 1.00 14.25 H new ATOM 81 N LEU A 6 -0.637 2.370 -15.254 1.00 33.54 N ATOM 82 CA LEU A 6 -0.013 1.569 -16.301 1.00 61.11 C ATOM 83 C LEU A 6 -0.758 1.725 -17.623 1.00 44.30 C ATOM 84 O LEU A 6 -0.148 1.751 -18.691 1.00 72.54 O ATOM 85 CB LEU A 6 0.020 0.095 -15.893 1.00 3.24 C ATOM 86 CG LEU A 6 1.285 -0.677 -16.268 1.00 63.34 C ATOM 87 CD1 LEU A 6 2.350 -0.512 -15.195 1.00 61.23 C ATOM 88 CD2 LEU A 6 0.967 -2.150 -16.484 1.00 52.53 C ATOM 0 H LEU A 6 -1.631 2.185 -15.118 1.00 33.54 H new ATOM 0 HA LEU A 6 1.008 1.925 -16.436 1.00 61.11 H new ATOM 0 HB2 LEU A 6 -0.111 0.035 -14.813 1.00 3.24 H new ATOM 0 HB3 LEU A 6 -0.835 -0.406 -16.347 1.00 3.24 H new ATOM 0 HG LEU A 6 1.673 -0.269 -17.201 1.00 63.34 H new ATOM 0 HD11 LEU A 6 3.243 -1.069 -15.480 1.00 61.23 H new ATOM 0 HD12 LEU A 6 2.599 0.544 -15.089 1.00 61.23 H new ATOM 0 HD13 LEU A 6 1.972 -0.893 -14.246 1.00 61.23 H new ATOM 0 HD21 LEU A 6 1.879 -2.684 -16.750 1.00 52.53 H new ATOM 0 HD22 LEU A 6 0.554 -2.571 -15.567 1.00 52.53 H new ATOM 0 HD23 LEU A 6 0.239 -2.251 -17.289 1.00 52.53 H new ATOM 100 N GLY A 7 -2.081 1.832 -17.542 1.00 44.22 N ATOM 101 CA GLY A 7 -2.887 1.987 -18.739 1.00 2.11 C ATOM 102 C GLY A 7 -3.589 3.329 -18.795 1.00 52.21 C ATOM 103 O GLY A 7 -4.037 3.846 -17.771 1.00 2.00 O ATOM 0 H GLY A 7 -2.609 1.814 -16.669 1.00 44.22 H new ATOM 0 HA2 GLY A 7 -2.252 1.876 -19.618 1.00 2.11 H new ATOM 0 HA3 GLY A 7 -3.629 1.190 -18.779 1.00 2.11 H new ATOM 107 N ILE A 8 -3.685 3.895 -19.993 1.00 43.42 N ATOM 108 CA ILE A 8 -4.337 5.186 -20.178 1.00 30.21 C ATOM 109 C ILE A 8 -5.354 5.130 -21.313 1.00 44.42 C ATOM 110 O ILE A 8 -5.134 4.464 -22.324 1.00 23.33 O ATOM 111 CB ILE A 8 -3.313 6.297 -20.475 1.00 2.02 C ATOM 112 CG1 ILE A 8 -4.026 7.632 -20.699 1.00 34.22 C ATOM 113 CG2 ILE A 8 -2.470 5.931 -21.687 1.00 74.55 C ATOM 114 CD1 ILE A 8 -3.085 8.777 -20.999 1.00 11.31 C ATOM 0 H ILE A 8 -3.320 3.480 -20.850 1.00 43.42 H new ATOM 0 HA ILE A 8 -4.850 5.417 -19.244 1.00 30.21 H new ATOM 0 HB ILE A 8 -2.652 6.400 -19.615 1.00 2.02 H new ATOM 0 HG12 ILE A 8 -4.729 7.525 -21.525 1.00 34.22 H new ATOM 0 HG13 ILE A 8 -4.611 7.876 -19.812 1.00 34.22 H new ATOM 0 HG21 ILE A 8 -1.751 6.726 -21.884 1.00 74.55 H new ATOM 0 HG22 ILE A 8 -1.937 5.000 -21.492 1.00 74.55 H new ATOM 0 HG23 ILE A 8 -3.117 5.804 -22.555 1.00 74.55 H new ATOM 0 HD11 ILE A 8 -3.660 9.691 -21.146 1.00 11.31 H new ATOM 0 HD12 ILE A 8 -2.397 8.911 -20.164 1.00 11.31 H new ATOM 0 HD13 ILE A 8 -2.518 8.555 -21.903 1.00 11.31 H new ATOM 126 N GLU A 9 -6.466 5.837 -21.139 1.00 51.12 N ATOM 127 CA GLU A 9 -7.516 5.869 -22.150 1.00 72.34 C ATOM 128 C GLU A 9 -7.983 7.299 -22.405 1.00 74.11 C ATOM 129 O GLU A 9 -8.358 8.016 -21.477 1.00 52.13 O ATOM 130 CB GLU A 9 -8.701 5.004 -21.715 1.00 23.44 C ATOM 131 CG GLU A 9 -9.106 3.963 -22.745 1.00 24.53 C ATOM 132 CD GLU A 9 -10.432 3.305 -22.419 1.00 34.31 C ATOM 133 OE1 GLU A 9 -10.489 2.538 -21.435 1.00 74.33 O ATOM 134 OE2 GLU A 9 -11.414 3.558 -23.148 1.00 72.23 O ATOM 0 H GLU A 9 -6.663 6.395 -20.308 1.00 51.12 H new ATOM 0 HA GLU A 9 -7.104 5.469 -23.077 1.00 72.34 H new ATOM 0 HB2 GLU A 9 -8.449 4.500 -20.782 1.00 23.44 H new ATOM 0 HB3 GLU A 9 -9.555 5.650 -21.508 1.00 23.44 H new ATOM 0 HG2 GLU A 9 -9.170 4.434 -23.726 1.00 24.53 H new ATOM 0 HG3 GLU A 9 -8.331 3.199 -22.808 1.00 24.53 H new ATOM 141 N VAL A 10 -7.957 7.707 -23.670 1.00 15.32 N ATOM 142 CA VAL A 10 -8.378 9.051 -24.048 1.00 73.01 C ATOM 143 C VAL A 10 -9.888 9.212 -23.914 1.00 13.24 C ATOM 144 O VAL A 10 -10.654 8.327 -24.296 1.00 1.24 O ATOM 145 CB VAL A 10 -7.965 9.382 -25.494 1.00 45.52 C ATOM 146 CG1 VAL A 10 -8.506 8.338 -26.458 1.00 35.33 C ATOM 147 CG2 VAL A 10 -8.443 10.774 -25.879 1.00 54.13 C ATOM 0 H VAL A 10 -7.649 7.126 -24.450 1.00 15.32 H new ATOM 0 HA VAL A 10 -7.880 9.742 -23.368 1.00 73.01 H new ATOM 0 HB VAL A 10 -6.877 9.366 -25.554 1.00 45.52 H new ATOM 0 HG11 VAL A 10 -8.203 8.590 -27.474 1.00 35.33 H new ATOM 0 HG12 VAL A 10 -8.109 7.358 -26.193 1.00 35.33 H new ATOM 0 HG13 VAL A 10 -9.594 8.317 -26.398 1.00 35.33 H new ATOM 0 HG21 VAL A 10 -8.142 10.991 -26.904 1.00 54.13 H new ATOM 0 HG22 VAL A 10 -9.529 10.820 -25.802 1.00 54.13 H new ATOM 0 HG23 VAL A 10 -8.000 11.509 -25.207 1.00 54.13 H new ATOM 157 N SER A 11 -10.310 10.349 -23.368 1.00 74.53 N ATOM 158 CA SER A 11 -11.730 10.625 -23.180 1.00 3.20 C ATOM 159 C SER A 11 -12.002 12.126 -23.227 1.00 24.32 C ATOM 160 O SER A 11 -12.873 12.631 -22.519 1.00 44.14 O ATOM 161 CB SER A 11 -12.211 10.050 -21.847 1.00 24.44 C ATOM 162 OG SER A 11 -13.622 10.119 -21.740 1.00 40.14 O ATOM 0 H SER A 11 -9.690 11.093 -23.049 1.00 74.53 H new ATOM 0 HA SER A 11 -12.278 10.148 -23.992 1.00 3.20 H new ATOM 0 HB2 SER A 11 -11.887 9.013 -21.757 1.00 24.44 H new ATOM 0 HB3 SER A 11 -11.754 10.600 -21.024 1.00 24.44 H new ATOM 0 HG SER A 11 -13.925 11.019 -21.983 1.00 40.14 H new ATOM 168 N GLN A 12 -11.249 12.831 -24.065 1.00 53.12 N ATOM 169 CA GLN A 12 -11.408 14.274 -24.204 1.00 73.22 C ATOM 170 C GLN A 12 -12.588 14.607 -25.111 1.00 73.43 C ATOM 171 O GLN A 12 -12.751 14.012 -26.176 1.00 71.21 O ATOM 172 CB GLN A 12 -10.128 14.898 -24.763 1.00 73.30 C ATOM 173 CG GLN A 12 -9.888 14.582 -26.230 1.00 51.15 C ATOM 174 CD GLN A 12 -10.616 15.534 -27.159 1.00 3.30 C ATOM 175 OE1 GLN A 12 -11.338 15.109 -28.061 1.00 13.31 O ATOM 176 NE2 GLN A 12 -10.429 16.831 -26.943 1.00 3.03 N ATOM 0 H GLN A 12 -10.524 12.427 -24.657 1.00 53.12 H new ATOM 0 HA GLN A 12 -11.605 14.689 -23.216 1.00 73.22 H new ATOM 0 HB2 GLN A 12 -10.175 15.980 -24.636 1.00 73.30 H new ATOM 0 HB3 GLN A 12 -9.277 14.545 -24.180 1.00 73.30 H new ATOM 0 HG2 GLN A 12 -8.819 14.625 -26.437 1.00 51.15 H new ATOM 0 HG3 GLN A 12 -10.211 13.562 -26.436 1.00 51.15 H new ATOM 0 HE21 GLN A 12 -9.822 17.139 -26.184 1.00 3.03 H new ATOM 0 HE22 GLN A 12 -10.893 17.519 -27.536 1.00 3.03 H new ATOM 185 N GLU A 13 -13.408 15.560 -24.681 1.00 55.43 N ATOM 186 CA GLU A 13 -14.574 15.971 -25.455 1.00 73.43 C ATOM 187 C GLU A 13 -14.343 17.331 -26.107 1.00 74.12 C ATOM 188 O GLU A 13 -13.573 18.158 -25.620 1.00 12.54 O ATOM 189 CB GLU A 13 -15.814 16.025 -24.561 1.00 15.42 C ATOM 190 CG GLU A 13 -16.459 14.669 -24.330 1.00 24.25 C ATOM 191 CD GLU A 13 -15.753 13.864 -23.255 1.00 73.45 C ATOM 192 OE1 GLU A 13 -15.452 14.436 -22.187 1.00 51.42 O ATOM 193 OE2 GLU A 13 -15.502 12.662 -23.483 1.00 33.22 O ATOM 0 H GLU A 13 -13.287 16.062 -23.801 1.00 55.43 H new ATOM 0 HA GLU A 13 -14.734 15.234 -26.242 1.00 73.43 H new ATOM 0 HB2 GLU A 13 -15.539 16.455 -23.598 1.00 15.42 H new ATOM 0 HB3 GLU A 13 -16.547 16.694 -25.011 1.00 15.42 H new ATOM 0 HG2 GLU A 13 -17.502 14.810 -24.047 1.00 24.25 H new ATOM 0 HG3 GLU A 13 -16.455 14.105 -25.263 1.00 24.25 H new ATOM 200 N PRO A 14 -15.026 17.568 -27.237 1.00 42.42 N ATOM 201 CA PRO A 14 -14.912 18.827 -27.981 1.00 33.51 C ATOM 202 C PRO A 14 -15.544 19.999 -27.237 1.00 62.53 C ATOM 203 O PRO A 14 -16.681 19.913 -26.773 1.00 23.44 O ATOM 204 CB PRO A 14 -15.675 18.542 -29.277 1.00 51.33 C ATOM 205 CG PRO A 14 -16.643 17.468 -28.920 1.00 20.15 C ATOM 206 CD PRO A 14 -15.961 16.627 -27.876 1.00 13.34 C ATOM 0 HA PRO A 14 -13.873 19.117 -28.137 1.00 33.51 H new ATOM 0 HB2 PRO A 14 -16.188 19.433 -29.638 1.00 51.33 H new ATOM 0 HB3 PRO A 14 -15.001 18.219 -30.070 1.00 51.33 H new ATOM 0 HG2 PRO A 14 -17.571 17.891 -28.535 1.00 20.15 H new ATOM 0 HG3 PRO A 14 -16.903 16.871 -29.794 1.00 20.15 H new ATOM 0 HD2 PRO A 14 -16.674 16.220 -27.159 1.00 13.34 H new ATOM 0 HD3 PRO A 14 -15.438 15.780 -28.321 1.00 13.34 H new ATOM 214 N LYS A 15 -14.800 21.094 -27.128 1.00 62.03 N ATOM 215 CA LYS A 15 -15.287 22.285 -26.443 1.00 3.13 C ATOM 216 C LYS A 15 -14.254 23.407 -26.501 1.00 34.53 C ATOM 217 O LYS A 15 -14.360 24.320 -27.319 1.00 13.41 O ATOM 218 CB LYS A 15 -15.620 21.959 -24.985 1.00 50.21 C ATOM 219 CG LYS A 15 -17.111 21.878 -24.706 1.00 23.15 C ATOM 220 CD LYS A 15 -17.501 22.730 -23.509 1.00 71.33 C ATOM 221 CE LYS A 15 -18.982 22.597 -23.191 1.00 14.55 C ATOM 222 NZ LYS A 15 -19.372 23.422 -22.013 1.00 71.30 N ATOM 0 H LYS A 15 -13.857 21.181 -27.506 1.00 62.03 H new ATOM 0 HA LYS A 15 -16.192 22.621 -26.950 1.00 3.13 H new ATOM 0 HB2 LYS A 15 -15.157 21.009 -24.719 1.00 50.21 H new ATOM 0 HB3 LYS A 15 -15.179 22.720 -24.341 1.00 50.21 H new ATOM 0 HG2 LYS A 15 -17.665 22.208 -25.585 1.00 23.15 H new ATOM 0 HG3 LYS A 15 -17.392 20.841 -24.523 1.00 23.15 H new ATOM 0 HD2 LYS A 15 -16.913 22.431 -22.641 1.00 71.33 H new ATOM 0 HD3 LYS A 15 -17.263 23.774 -23.711 1.00 71.33 H new ATOM 0 HE2 LYS A 15 -19.569 22.901 -24.058 1.00 14.55 H new ATOM 0 HE3 LYS A 15 -19.219 21.551 -22.997 1.00 14.55 H new ATOM 0 HZ1 LYS A 15 -20.389 23.304 -21.828 1.00 71.30 H new ATOM 0 HZ2 LYS A 15 -18.831 23.115 -21.180 1.00 71.30 H new ATOM 0 HZ3 LYS A 15 -19.169 24.423 -22.208 1.00 71.30 H new ATOM 236 N LYS A 16 -13.255 23.330 -25.628 1.00 51.33 N ATOM 237 CA LYS A 16 -12.201 24.337 -25.581 1.00 73.14 C ATOM 238 C LYS A 16 -12.788 25.743 -25.664 1.00 24.42 C ATOM 239 O LYS A 16 -12.339 26.567 -26.460 1.00 64.15 O ATOM 240 CB LYS A 16 -11.208 24.119 -26.725 1.00 53.14 C ATOM 241 CG LYS A 16 -9.775 24.466 -26.361 1.00 52.42 C ATOM 242 CD LYS A 16 -9.005 23.241 -25.899 1.00 65.05 C ATOM 243 CE LYS A 16 -8.705 22.302 -27.058 1.00 20.22 C ATOM 244 NZ LYS A 16 -7.679 21.285 -26.696 1.00 72.41 N ATOM 0 H LYS A 16 -13.153 22.581 -24.943 1.00 51.33 H new ATOM 0 HA LYS A 16 -11.678 24.236 -24.630 1.00 73.14 H new ATOM 0 HB2 LYS A 16 -11.252 23.076 -27.039 1.00 53.14 H new ATOM 0 HB3 LYS A 16 -11.513 24.723 -27.580 1.00 53.14 H new ATOM 0 HG2 LYS A 16 -9.276 24.906 -27.224 1.00 52.42 H new ATOM 0 HG3 LYS A 16 -9.771 25.218 -25.572 1.00 52.42 H new ATOM 0 HD2 LYS A 16 -8.071 23.552 -25.430 1.00 65.05 H new ATOM 0 HD3 LYS A 16 -9.582 22.712 -25.140 1.00 65.05 H new ATOM 0 HE2 LYS A 16 -9.622 21.799 -27.365 1.00 20.22 H new ATOM 0 HE3 LYS A 16 -8.357 22.881 -27.914 1.00 20.22 H new ATOM 0 HZ1 LYS A 16 -7.221 20.931 -27.560 1.00 72.41 H new ATOM 0 HZ2 LYS A 16 -6.964 21.718 -26.077 1.00 72.41 H new ATOM 0 HZ3 LYS A 16 -8.135 20.494 -26.197 1.00 72.41 H new ATOM 258 N ASP A 17 -13.791 26.010 -24.835 1.00 71.53 N ATOM 259 CA ASP A 17 -14.437 27.317 -24.813 1.00 20.21 C ATOM 260 C ASP A 17 -14.433 27.901 -23.404 1.00 20.24 C ATOM 261 O ASP A 17 -14.777 27.219 -22.437 1.00 41.44 O ATOM 262 CB ASP A 17 -15.872 27.209 -25.330 1.00 15.14 C ATOM 263 CG ASP A 17 -16.158 28.186 -26.453 1.00 71.13 C ATOM 264 OD1 ASP A 17 -16.393 29.377 -26.159 1.00 45.03 O ATOM 265 OD2 ASP A 17 -16.146 27.759 -27.627 1.00 15.52 O ATOM 0 H ASP A 17 -14.174 25.339 -24.169 1.00 71.53 H new ATOM 0 HA ASP A 17 -13.874 27.985 -25.465 1.00 20.21 H new ATOM 0 HB2 ASP A 17 -16.053 26.193 -25.681 1.00 15.14 H new ATOM 0 HB3 ASP A 17 -16.566 27.391 -24.509 1.00 15.14 H new ATOM 270 N TYR A 18 -14.041 29.165 -23.294 1.00 1.21 N ATOM 271 CA TYR A 18 -13.989 29.840 -22.002 1.00 65.14 C ATOM 272 C TYR A 18 -14.519 31.266 -22.111 1.00 12.11 C ATOM 273 O TYR A 18 -14.398 31.909 -23.155 1.00 34.41 O ATOM 274 CB TYR A 18 -12.555 29.856 -21.470 1.00 3.52 C ATOM 275 CG TYR A 18 -11.718 30.990 -22.019 1.00 11.15 C ATOM 276 CD1 TYR A 18 -11.032 30.855 -23.219 1.00 64.11 C ATOM 277 CD2 TYR A 18 -11.613 32.196 -21.336 1.00 72.13 C ATOM 278 CE1 TYR A 18 -10.265 31.888 -23.724 1.00 74.40 C ATOM 279 CE2 TYR A 18 -10.851 33.234 -21.834 1.00 44.44 C ATOM 280 CZ TYR A 18 -10.178 33.075 -23.028 1.00 54.44 C ATOM 281 OH TYR A 18 -9.417 34.107 -23.527 1.00 44.12 O ATOM 0 H TYR A 18 -13.754 29.743 -24.084 1.00 1.21 H new ATOM 0 HA TYR A 18 -14.622 29.289 -21.306 1.00 65.14 H new ATOM 0 HB2 TYR A 18 -12.581 29.928 -20.383 1.00 3.52 H new ATOM 0 HB3 TYR A 18 -12.075 28.909 -21.716 1.00 3.52 H new ATOM 0 HD1 TYR A 18 -11.099 29.927 -23.767 1.00 64.11 H new ATOM 0 HD2 TYR A 18 -12.136 32.323 -20.400 1.00 72.13 H new ATOM 0 HE1 TYR A 18 -9.737 31.766 -24.658 1.00 74.40 H new ATOM 0 HE2 TYR A 18 -10.782 34.166 -21.292 1.00 44.44 H new ATOM 0 HH TYR A 18 -9.463 34.872 -22.916 1.00 44.12 H new ATOM 291 N LEU A 19 -15.107 31.756 -21.025 1.00 21.32 N ATOM 292 CA LEU A 19 -15.656 33.107 -20.995 1.00 75.34 C ATOM 293 C LEU A 19 -14.631 34.100 -20.458 1.00 32.01 C ATOM 294 O LEU A 19 -13.773 33.746 -19.649 1.00 51.22 O ATOM 295 CB LEU A 19 -16.921 33.146 -20.135 1.00 62.42 C ATOM 296 CG LEU A 19 -16.740 32.787 -18.660 1.00 10.02 C ATOM 297 CD1 LEU A 19 -16.444 34.033 -17.840 1.00 45.20 C ATOM 298 CD2 LEU A 19 -17.977 32.078 -18.128 1.00 11.32 C ATOM 0 H LEU A 19 -15.216 31.238 -20.153 1.00 21.32 H new ATOM 0 HA LEU A 19 -15.910 33.392 -22.016 1.00 75.34 H new ATOM 0 HB2 LEU A 19 -17.346 34.148 -20.195 1.00 62.42 H new ATOM 0 HB3 LEU A 19 -17.652 32.463 -20.568 1.00 62.42 H new ATOM 0 HG LEU A 19 -15.891 32.109 -18.572 1.00 10.02 H new ATOM 0 HD11 LEU A 19 -16.318 33.758 -16.793 1.00 45.20 H new ATOM 0 HD12 LEU A 19 -15.529 34.500 -18.205 1.00 45.20 H new ATOM 0 HD13 LEU A 19 -17.272 34.735 -17.934 1.00 45.20 H new ATOM 0 HD21 LEU A 19 -17.830 31.830 -17.077 1.00 11.32 H new ATOM 0 HD22 LEU A 19 -18.843 32.732 -18.229 1.00 11.32 H new ATOM 0 HD23 LEU A 19 -18.145 31.163 -18.697 1.00 11.32 H new ATOM 310 N VAL A 20 -14.728 35.346 -20.911 1.00 63.13 N ATOM 311 CA VAL A 20 -13.811 36.392 -20.474 1.00 30.23 C ATOM 312 C VAL A 20 -13.697 36.422 -18.954 1.00 23.32 C ATOM 313 O VAL A 20 -14.702 36.415 -18.245 1.00 12.21 O ATOM 314 CB VAL A 20 -14.262 37.778 -20.971 1.00 75.10 C ATOM 315 CG1 VAL A 20 -13.983 37.929 -22.459 1.00 32.44 C ATOM 316 CG2 VAL A 20 -15.738 37.996 -20.672 1.00 50.03 C ATOM 0 H VAL A 20 -15.433 35.656 -21.581 1.00 63.13 H new ATOM 0 HA VAL A 20 -12.837 36.159 -20.905 1.00 30.23 H new ATOM 0 HB VAL A 20 -13.690 38.539 -20.440 1.00 75.10 H new ATOM 0 HG11 VAL A 20 -14.308 38.915 -22.792 1.00 32.44 H new ATOM 0 HG12 VAL A 20 -12.914 37.819 -22.642 1.00 32.44 H new ATOM 0 HG13 VAL A 20 -14.526 37.162 -23.011 1.00 32.44 H new ATOM 0 HG21 VAL A 20 -16.040 38.980 -21.030 1.00 50.03 H new ATOM 0 HG22 VAL A 20 -16.328 37.230 -21.175 1.00 50.03 H new ATOM 0 HG23 VAL A 20 -15.904 37.934 -19.597 1.00 50.03 H new ATOM 326 N GLY A 21 -12.463 36.455 -18.459 1.00 0.21 N ATOM 327 CA GLY A 21 -12.239 36.486 -17.025 1.00 53.14 C ATOM 328 C GLY A 21 -11.939 35.114 -16.456 1.00 23.13 C ATOM 329 O GLY A 21 -11.672 34.975 -15.262 1.00 35.32 O ATOM 0 H GLY A 21 -11.615 36.461 -19.025 1.00 0.21 H new ATOM 0 HA2 GLY A 21 -11.409 37.157 -16.804 1.00 53.14 H new ATOM 0 HA3 GLY A 21 -13.120 36.896 -16.531 1.00 53.14 H new ATOM 333 N ASP A 22 -11.983 34.098 -17.310 1.00 63.13 N ATOM 334 CA ASP A 22 -11.713 32.729 -16.885 1.00 54.13 C ATOM 335 C ASP A 22 -10.461 32.185 -17.566 1.00 10.32 C ATOM 336 O ASP A 22 -9.897 31.178 -17.137 1.00 52.52 O ATOM 337 CB ASP A 22 -12.910 31.830 -17.199 1.00 14.21 C ATOM 338 CG ASP A 22 -13.075 30.712 -16.189 1.00 22.32 C ATOM 339 OD1 ASP A 22 -13.486 31.000 -15.045 1.00 44.21 O ATOM 340 OD2 ASP A 22 -12.794 29.548 -16.542 1.00 64.43 O ATOM 0 H ASP A 22 -12.203 34.196 -18.301 1.00 63.13 H new ATOM 0 HA ASP A 22 -11.545 32.736 -15.808 1.00 54.13 H new ATOM 0 HB2 ASP A 22 -13.818 32.433 -17.221 1.00 14.21 H new ATOM 0 HB3 ASP A 22 -12.788 31.402 -18.194 1.00 14.21 H new ATOM 345 N SER A 23 -10.032 32.858 -18.629 1.00 71.31 N ATOM 346 CA SER A 23 -8.849 32.439 -19.372 1.00 52.11 C ATOM 347 C SER A 23 -9.065 31.070 -20.011 1.00 10.43 C ATOM 348 O SER A 23 -10.000 30.349 -19.661 1.00 15.52 O ATOM 349 CB SER A 23 -7.630 32.397 -18.449 1.00 44.54 C ATOM 350 OG SER A 23 -7.405 31.087 -17.960 1.00 33.25 O ATOM 0 H SER A 23 -10.486 33.695 -18.995 1.00 71.31 H new ATOM 0 HA SER A 23 -8.671 33.166 -20.164 1.00 52.11 H new ATOM 0 HB2 SER A 23 -6.749 32.743 -18.989 1.00 44.54 H new ATOM 0 HB3 SER A 23 -7.780 33.080 -17.613 1.00 44.54 H new ATOM 0 HG SER A 23 -8.173 30.802 -17.423 1.00 33.25 H new ATOM 356 N LEU A 24 -8.193 30.719 -20.949 1.00 73.33 N ATOM 357 CA LEU A 24 -8.287 29.436 -21.638 1.00 43.23 C ATOM 358 C LEU A 24 -8.042 28.281 -20.673 1.00 64.55 C ATOM 359 O LEU A 24 -7.023 28.240 -19.983 1.00 40.52 O ATOM 360 CB LEU A 24 -7.279 29.378 -22.788 1.00 55.11 C ATOM 361 CG LEU A 24 -7.181 28.043 -23.527 1.00 41.23 C ATOM 362 CD1 LEU A 24 -6.278 27.080 -22.772 1.00 14.11 C ATOM 363 CD2 LEU A 24 -8.564 27.439 -23.723 1.00 63.23 C ATOM 0 H LEU A 24 -7.413 31.304 -21.250 1.00 73.33 H new ATOM 0 HA LEU A 24 -9.295 29.340 -22.041 1.00 43.23 H new ATOM 0 HB2 LEU A 24 -7.537 30.152 -23.510 1.00 55.11 H new ATOM 0 HB3 LEU A 24 -6.293 29.626 -22.394 1.00 55.11 H new ATOM 0 HG LEU A 24 -6.744 28.224 -24.509 1.00 41.23 H new ATOM 0 HD11 LEU A 24 -6.220 26.135 -23.313 1.00 14.11 H new ATOM 0 HD12 LEU A 24 -5.280 27.510 -22.685 1.00 14.11 H new ATOM 0 HD13 LEU A 24 -6.686 26.904 -21.777 1.00 14.11 H new ATOM 0 HD21 LEU A 24 -8.475 26.489 -24.251 1.00 63.23 H new ATOM 0 HD22 LEU A 24 -9.029 27.272 -22.751 1.00 63.23 H new ATOM 0 HD23 LEU A 24 -9.180 28.122 -24.308 1.00 63.23 H new ATOM 375 N ASP A 25 -8.980 27.342 -20.633 1.00 35.34 N ATOM 376 CA ASP A 25 -8.865 26.183 -19.755 1.00 32.30 C ATOM 377 C ASP A 25 -10.019 25.211 -19.983 1.00 52.41 C ATOM 378 O ASP A 25 -10.950 25.137 -19.180 1.00 54.32 O ATOM 379 CB ASP A 25 -8.837 26.626 -18.291 1.00 63.53 C ATOM 380 CG ASP A 25 -8.865 25.453 -17.331 1.00 23.20 C ATOM 381 OD1 ASP A 25 -8.548 24.324 -17.763 1.00 14.23 O ATOM 382 OD2 ASP A 25 -9.202 25.664 -16.147 1.00 70.44 O ATOM 0 H ASP A 25 -9.829 27.360 -21.198 1.00 35.34 H new ATOM 0 HA ASP A 25 -7.931 25.672 -19.990 1.00 32.30 H new ATOM 0 HB2 ASP A 25 -7.940 27.218 -18.111 1.00 63.53 H new ATOM 0 HB3 ASP A 25 -9.691 27.274 -18.094 1.00 63.53 H new ATOM 387 N LEU A 26 -9.952 24.469 -21.083 1.00 11.13 N ATOM 388 CA LEU A 26 -10.992 23.502 -21.418 1.00 0.33 C ATOM 389 C LEU A 26 -11.291 22.591 -20.231 1.00 52.44 C ATOM 390 O LEU A 26 -10.385 22.186 -19.503 1.00 73.03 O ATOM 391 CB LEU A 26 -10.567 22.664 -22.625 1.00 2.15 C ATOM 392 CG LEU A 26 -9.629 21.493 -22.331 1.00 61.51 C ATOM 393 CD1 LEU A 26 -9.397 20.667 -23.587 1.00 41.01 C ATOM 394 CD2 LEU A 26 -8.307 21.995 -21.769 1.00 51.44 C ATOM 0 H LEU A 26 -9.189 24.518 -21.758 1.00 11.13 H new ATOM 0 HA LEU A 26 -11.899 24.052 -21.667 1.00 0.33 H new ATOM 0 HB2 LEU A 26 -11.464 22.273 -23.105 1.00 2.15 H new ATOM 0 HB3 LEU A 26 -10.080 23.321 -23.346 1.00 2.15 H new ATOM 0 HG LEU A 26 -10.099 20.855 -21.583 1.00 61.51 H new ATOM 0 HD11 LEU A 26 -8.727 19.838 -23.359 1.00 41.01 H new ATOM 0 HD12 LEU A 26 -10.349 20.276 -23.946 1.00 41.01 H new ATOM 0 HD13 LEU A 26 -8.949 21.294 -24.357 1.00 41.01 H new ATOM 0 HD21 LEU A 26 -7.653 21.147 -21.566 1.00 51.44 H new ATOM 0 HD22 LEU A 26 -7.831 22.656 -22.494 1.00 51.44 H new ATOM 0 HD23 LEU A 26 -8.489 22.542 -20.844 1.00 51.44 H new ATOM 406 N SER A 27 -12.568 22.272 -20.045 1.00 22.25 N ATOM 407 CA SER A 27 -12.987 21.410 -18.946 1.00 30.33 C ATOM 408 C SER A 27 -13.646 20.139 -19.473 1.00 70.13 C ATOM 409 O SER A 27 -14.141 19.318 -18.702 1.00 24.23 O ATOM 410 CB SER A 27 -13.955 22.155 -18.025 1.00 52.42 C ATOM 411 OG SER A 27 -13.312 22.560 -16.829 1.00 31.10 O ATOM 0 H SER A 27 -13.330 22.597 -20.641 1.00 22.25 H new ATOM 0 HA SER A 27 -12.099 21.130 -18.378 1.00 30.33 H new ATOM 0 HB2 SER A 27 -14.353 23.029 -18.541 1.00 52.42 H new ATOM 0 HB3 SER A 27 -14.802 21.512 -17.786 1.00 52.42 H new ATOM 0 HG SER A 27 -13.952 23.035 -16.259 1.00 31.10 H new ATOM 417 N GLU A 28 -13.648 19.985 -20.794 1.00 0.12 N ATOM 418 CA GLU A 28 -14.247 18.815 -21.425 1.00 22.10 C ATOM 419 C GLU A 28 -13.171 17.842 -21.898 1.00 60.41 C ATOM 420 O GLU A 28 -13.445 16.668 -22.144 1.00 72.13 O ATOM 421 CB GLU A 28 -15.123 19.237 -22.606 1.00 40.31 C ATOM 422 CG GLU A 28 -16.591 19.400 -22.248 1.00 4.12 C ATOM 423 CD GLU A 28 -17.463 18.320 -22.858 1.00 12.42 C ATOM 424 OE1 GLU A 28 -17.816 18.446 -24.049 1.00 44.24 O ATOM 425 OE2 GLU A 28 -17.794 17.351 -22.144 1.00 60.54 O ATOM 0 H GLU A 28 -13.242 20.655 -21.447 1.00 0.12 H new ATOM 0 HA GLU A 28 -14.868 18.312 -20.684 1.00 22.10 H new ATOM 0 HB2 GLU A 28 -14.749 20.179 -23.007 1.00 40.31 H new ATOM 0 HB3 GLU A 28 -15.031 18.495 -23.399 1.00 40.31 H new ATOM 0 HG2 GLU A 28 -16.701 19.381 -21.164 1.00 4.12 H new ATOM 0 HG3 GLU A 28 -16.938 20.376 -22.587 1.00 4.12 H new ATOM 432 N GLY A 29 -11.944 18.339 -22.023 1.00 54.45 N ATOM 433 CA GLY A 29 -10.846 17.502 -22.467 1.00 64.32 C ATOM 434 C GLY A 29 -10.172 16.773 -21.321 1.00 54.10 C ATOM 435 O GLY A 29 -9.042 17.093 -20.952 1.00 72.41 O ATOM 0 H GLY A 29 -11.691 19.307 -21.824 1.00 54.45 H new ATOM 0 HA2 GLY A 29 -11.217 16.774 -23.188 1.00 64.32 H new ATOM 0 HA3 GLY A 29 -10.110 18.118 -22.985 1.00 64.32 H new ATOM 439 N ARG A 30 -10.868 15.792 -20.755 1.00 54.42 N ATOM 440 CA ARG A 30 -10.332 15.019 -19.642 1.00 61.42 C ATOM 441 C ARG A 30 -10.025 13.587 -20.073 1.00 41.30 C ATOM 442 O ARG A 30 -10.640 13.062 -21.001 1.00 33.42 O ATOM 443 CB ARG A 30 -11.321 15.010 -18.475 1.00 53.24 C ATOM 444 CG ARG A 30 -12.561 14.169 -18.734 1.00 2.41 C ATOM 445 CD ARG A 30 -13.828 15.005 -18.649 1.00 35.04 C ATOM 446 NE ARG A 30 -15.032 14.190 -18.793 1.00 42.24 N ATOM 447 CZ ARG A 30 -16.263 14.665 -18.645 1.00 14.43 C ATOM 448 NH1 ARG A 30 -16.453 15.944 -18.349 1.00 20.21 N ATOM 449 NH2 ARG A 30 -17.308 13.861 -18.792 1.00 54.25 N ATOM 0 H ARG A 30 -11.804 15.514 -21.049 1.00 54.42 H new ATOM 0 HA ARG A 30 -9.404 15.491 -19.319 1.00 61.42 H new ATOM 0 HB2 ARG A 30 -10.816 14.634 -17.585 1.00 53.24 H new ATOM 0 HB3 ARG A 30 -11.625 16.034 -18.260 1.00 53.24 H new ATOM 0 HG2 ARG A 30 -12.492 13.711 -19.720 1.00 2.41 H new ATOM 0 HG3 ARG A 30 -12.610 13.357 -18.008 1.00 2.41 H new ATOM 0 HD2 ARG A 30 -13.855 15.526 -17.692 1.00 35.04 H new ATOM 0 HD3 ARG A 30 -13.812 15.768 -19.427 1.00 35.04 H new ATOM 0 HE ARG A 30 -14.921 13.202 -19.020 1.00 42.24 H new ATOM 0 HH11 ARG A 30 -15.652 16.565 -18.235 1.00 20.21 H new ATOM 0 HH12 ARG A 30 -17.400 16.306 -18.236 1.00 20.21 H new ATOM 0 HH21 ARG A 30 -17.166 12.877 -19.019 1.00 54.25 H new ATOM 0 HH22 ARG A 30 -18.253 14.227 -18.678 1.00 54.25 H new ATOM 463 N PHE A 31 -9.069 12.962 -19.393 1.00 51.54 N ATOM 464 CA PHE A 31 -8.679 11.593 -19.707 1.00 30.34 C ATOM 465 C PHE A 31 -8.877 10.681 -18.499 1.00 2.21 C ATOM 466 O PHE A 31 -8.756 11.115 -17.354 1.00 10.52 O ATOM 467 CB PHE A 31 -7.219 11.547 -20.161 1.00 25.14 C ATOM 468 CG PHE A 31 -6.237 11.766 -19.045 1.00 41.21 C ATOM 469 CD1 PHE A 31 -5.830 13.046 -18.704 1.00 13.00 C ATOM 470 CD2 PHE A 31 -5.720 10.692 -18.338 1.00 14.41 C ATOM 471 CE1 PHE A 31 -4.927 13.251 -17.678 1.00 14.53 C ATOM 472 CE2 PHE A 31 -4.818 10.892 -17.311 1.00 23.34 C ATOM 473 CZ PHE A 31 -4.420 12.173 -16.981 1.00 23.41 C ATOM 0 H PHE A 31 -8.551 13.382 -18.621 1.00 51.54 H new ATOM 0 HA PHE A 31 -9.315 11.237 -20.517 1.00 30.34 H new ATOM 0 HB2 PHE A 31 -7.021 10.580 -20.624 1.00 25.14 H new ATOM 0 HB3 PHE A 31 -7.061 12.306 -20.927 1.00 25.14 H new ATOM 0 HD1 PHE A 31 -6.223 13.893 -19.246 1.00 13.00 H new ATOM 0 HD2 PHE A 31 -6.026 9.688 -18.593 1.00 14.41 H new ATOM 0 HE1 PHE A 31 -4.618 14.254 -17.422 1.00 14.53 H new ATOM 0 HE2 PHE A 31 -4.424 10.047 -16.766 1.00 23.34 H new ATOM 0 HZ PHE A 31 -3.714 12.331 -16.179 1.00 23.41 H new ATOM 483 N ALA A 32 -9.182 9.415 -18.764 1.00 52.33 N ATOM 484 CA ALA A 32 -9.395 8.442 -17.701 1.00 35.24 C ATOM 485 C ALA A 32 -8.232 7.461 -17.613 1.00 25.41 C ATOM 486 O ALA A 32 -7.947 6.733 -18.564 1.00 45.23 O ATOM 487 CB ALA A 32 -10.702 7.695 -17.923 1.00 13.01 C ATOM 0 H ALA A 32 -9.287 9.040 -19.707 1.00 52.33 H new ATOM 0 HA ALA A 32 -9.453 8.981 -16.756 1.00 35.24 H new ATOM 0 HB1 ALA A 32 -10.848 6.971 -17.121 1.00 13.01 H new ATOM 0 HB2 ALA A 32 -11.530 8.404 -17.927 1.00 13.01 H new ATOM 0 HB3 ALA A 32 -10.665 7.174 -18.880 1.00 13.01 H new ATOM 493 N VAL A 33 -7.561 7.446 -16.465 1.00 71.21 N ATOM 494 CA VAL A 33 -6.428 6.553 -16.253 1.00 42.41 C ATOM 495 C VAL A 33 -6.782 5.437 -15.278 1.00 35.15 C ATOM 496 O VAL A 33 -7.472 5.663 -14.284 1.00 33.02 O ATOM 497 CB VAL A 33 -5.203 7.319 -15.717 1.00 73.33 C ATOM 498 CG1 VAL A 33 -5.416 7.718 -14.265 1.00 74.20 C ATOM 499 CG2 VAL A 33 -3.943 6.480 -15.869 1.00 12.11 C ATOM 0 H VAL A 33 -7.783 8.042 -15.668 1.00 71.21 H new ATOM 0 HA VAL A 33 -6.181 6.119 -17.222 1.00 42.41 H new ATOM 0 HB VAL A 33 -5.079 8.229 -16.304 1.00 73.33 H new ATOM 0 HG11 VAL A 33 -4.541 8.258 -13.904 1.00 74.20 H new ATOM 0 HG12 VAL A 33 -6.294 8.359 -14.189 1.00 74.20 H new ATOM 0 HG13 VAL A 33 -5.566 6.824 -13.660 1.00 74.20 H new ATOM 0 HG21 VAL A 33 -3.087 7.036 -15.486 1.00 12.11 H new ATOM 0 HG22 VAL A 33 -4.054 5.552 -15.308 1.00 12.11 H new ATOM 0 HG23 VAL A 33 -3.784 6.250 -16.923 1.00 12.11 H new ATOM 509 N ALA A 34 -6.305 4.231 -15.568 1.00 75.01 N ATOM 510 CA ALA A 34 -6.570 3.079 -14.715 1.00 61.01 C ATOM 511 C ALA A 34 -5.354 2.739 -13.859 1.00 74.25 C ATOM 512 O ALA A 34 -4.224 2.724 -14.348 1.00 11.15 O ATOM 513 CB ALA A 34 -6.976 1.880 -15.559 1.00 31.32 C ATOM 0 H ALA A 34 -5.733 4.026 -16.387 1.00 75.01 H new ATOM 0 HA ALA A 34 -7.392 3.334 -14.047 1.00 61.01 H new ATOM 0 HB1 ALA A 34 -7.171 1.027 -14.909 1.00 31.32 H new ATOM 0 HB2 ALA A 34 -7.878 2.120 -16.123 1.00 31.32 H new ATOM 0 HB3 ALA A 34 -6.171 1.633 -16.251 1.00 31.32 H new ATOM 519 N TYR A 35 -5.594 2.467 -12.582 1.00 21.24 N ATOM 520 CA TYR A 35 -4.518 2.130 -11.657 1.00 62.02 C ATOM 521 C TYR A 35 -4.384 0.618 -11.505 1.00 21.12 C ATOM 522 O TYR A 35 -5.373 -0.113 -11.557 1.00 53.40 O ATOM 523 CB TYR A 35 -4.771 2.771 -10.292 1.00 21.14 C ATOM 524 CG TYR A 35 -3.601 2.653 -9.341 1.00 42.12 C ATOM 525 CD1 TYR A 35 -2.295 2.780 -9.798 1.00 25.04 C ATOM 526 CD2 TYR A 35 -3.801 2.414 -7.987 1.00 72.04 C ATOM 527 CE1 TYR A 35 -1.222 2.672 -8.933 1.00 52.42 C ATOM 528 CE2 TYR A 35 -2.735 2.306 -7.116 1.00 11.45 C ATOM 529 CZ TYR A 35 -1.448 2.436 -7.593 1.00 43.12 C ATOM 530 OH TYR A 35 -0.383 2.328 -6.728 1.00 41.21 O ATOM 0 H TYR A 35 -6.524 2.473 -12.163 1.00 21.24 H new ATOM 0 HA TYR A 35 -3.586 2.520 -12.066 1.00 62.02 H new ATOM 0 HB2 TYR A 35 -5.008 3.825 -10.434 1.00 21.14 H new ATOM 0 HB3 TYR A 35 -5.646 2.306 -9.838 1.00 21.14 H new ATOM 0 HD1 TYR A 35 -2.115 2.966 -10.847 1.00 25.04 H new ATOM 0 HD2 TYR A 35 -4.808 2.311 -7.609 1.00 72.04 H new ATOM 0 HE1 TYR A 35 -0.213 2.772 -9.304 1.00 52.42 H new ATOM 0 HE2 TYR A 35 -2.909 2.121 -6.066 1.00 11.45 H new ATOM 0 HH TYR A 35 -0.714 2.163 -5.821 1.00 41.21 H new ATOM 540 N SER A 36 -3.152 0.156 -11.315 1.00 72.44 N ATOM 541 CA SER A 36 -2.886 -1.270 -11.158 1.00 54.42 C ATOM 542 C SER A 36 -3.617 -1.827 -9.941 1.00 32.53 C ATOM 543 O SER A 36 -3.803 -3.037 -9.815 1.00 62.01 O ATOM 544 CB SER A 36 -1.383 -1.518 -11.023 1.00 2.44 C ATOM 545 OG SER A 36 -0.683 -0.304 -10.810 1.00 42.24 O ATOM 0 H SER A 36 -2.323 0.748 -11.266 1.00 72.44 H new ATOM 0 HA SER A 36 -3.253 -1.784 -12.047 1.00 54.42 H new ATOM 0 HB2 SER A 36 -1.197 -2.199 -10.193 1.00 2.44 H new ATOM 0 HB3 SER A 36 -1.009 -2.004 -11.924 1.00 2.44 H new ATOM 0 HG SER A 36 0.276 -0.490 -10.725 1.00 42.24 H new ATOM 551 N ASN A 37 -4.030 -0.935 -9.046 1.00 25.42 N ATOM 552 CA ASN A 37 -4.740 -1.337 -7.837 1.00 63.41 C ATOM 553 C ASN A 37 -6.249 -1.288 -8.051 1.00 55.14 C ATOM 554 O ASN A 37 -7.018 -1.156 -7.099 1.00 0.33 O ATOM 555 CB ASN A 37 -4.350 -0.433 -6.667 1.00 5.34 C ATOM 556 CG ASN A 37 -4.603 -1.086 -5.322 1.00 15.44 C ATOM 557 OD1 ASN A 37 -3.862 -1.973 -4.900 1.00 23.10 O ATOM 558 ND2 ASN A 37 -5.656 -0.648 -4.641 1.00 55.00 N ATOM 0 H ASN A 37 -3.885 0.071 -9.135 1.00 25.42 H new ATOM 0 HA ASN A 37 -4.457 -2.364 -7.604 1.00 63.41 H new ATOM 0 HB2 ASN A 37 -3.295 -0.173 -6.749 1.00 5.34 H new ATOM 0 HB3 ASN A 37 -4.913 0.498 -6.727 1.00 5.34 H new ATOM 0 HD21 ASN A 37 -5.877 -1.049 -3.730 1.00 55.00 H new ATOM 0 HD22 ASN A 37 -6.244 0.090 -5.029 1.00 55.00 H new ATOM 565 N ASP A 38 -6.667 -1.395 -9.308 1.00 22.51 N ATOM 566 CA ASP A 38 -8.085 -1.365 -9.648 1.00 4.21 C ATOM 567 C ASP A 38 -8.707 -0.027 -9.262 1.00 12.31 C ATOM 568 O ASP A 38 -9.517 0.051 -8.337 1.00 25.52 O ATOM 569 CB ASP A 38 -8.824 -2.506 -8.948 1.00 23.22 C ATOM 570 CG ASP A 38 -8.058 -3.814 -9.007 1.00 15.33 C ATOM 571 OD1 ASP A 38 -8.247 -4.568 -9.984 1.00 13.41 O ATOM 572 OD2 ASP A 38 -7.271 -4.083 -8.075 1.00 73.42 O ATOM 0 H ASP A 38 -6.044 -1.503 -10.108 1.00 22.51 H new ATOM 0 HA ASP A 38 -8.178 -1.491 -10.727 1.00 4.21 H new ATOM 0 HB2 ASP A 38 -8.998 -2.237 -7.906 1.00 23.22 H new ATOM 0 HB3 ASP A 38 -9.802 -2.640 -9.411 1.00 23.22 H new ATOM 577 N THR A 39 -8.324 1.027 -9.976 1.00 64.12 N ATOM 578 CA THR A 39 -8.842 2.362 -9.707 1.00 41.24 C ATOM 579 C THR A 39 -8.914 3.191 -10.985 1.00 13.34 C ATOM 580 O THR A 39 -8.250 2.883 -11.974 1.00 15.31 O ATOM 581 CB THR A 39 -7.973 3.105 -8.675 1.00 45.03 C ATOM 582 OG1 THR A 39 -7.064 2.191 -8.051 1.00 73.32 O ATOM 583 CG2 THR A 39 -8.839 3.770 -7.616 1.00 60.51 C ATOM 0 H THR A 39 -7.656 0.981 -10.746 1.00 64.12 H new ATOM 0 HA THR A 39 -9.846 2.236 -9.301 1.00 41.24 H new ATOM 0 HB THR A 39 -7.409 3.878 -9.197 1.00 45.03 H new ATOM 0 HG1 THR A 39 -6.749 2.570 -7.204 1.00 73.32 H new ATOM 0 HG21 THR A 39 -8.203 4.288 -6.899 1.00 60.51 H new ATOM 0 HG22 THR A 39 -9.509 4.487 -8.091 1.00 60.51 H new ATOM 0 HG23 THR A 39 -9.427 3.012 -7.098 1.00 60.51 H new ATOM 591 N MET A 40 -9.724 4.245 -10.956 1.00 31.34 N ATOM 592 CA MET A 40 -9.881 5.120 -12.112 1.00 30.52 C ATOM 593 C MET A 40 -9.980 6.579 -11.680 1.00 5.13 C ATOM 594 O MET A 40 -10.656 6.902 -10.704 1.00 52.01 O ATOM 595 CB MET A 40 -11.126 4.727 -12.910 1.00 64.31 C ATOM 596 CG MET A 40 -10.811 4.140 -14.277 1.00 2.03 C ATOM 597 SD MET A 40 -12.276 3.971 -15.314 1.00 43.43 S ATOM 598 CE MET A 40 -11.643 2.929 -16.626 1.00 72.31 C ATOM 0 H MET A 40 -10.281 4.513 -10.145 1.00 31.34 H new ATOM 0 HA MET A 40 -9.001 5.006 -12.745 1.00 30.52 H new ATOM 0 HB2 MET A 40 -11.702 4.001 -12.336 1.00 64.31 H new ATOM 0 HB3 MET A 40 -11.758 5.606 -13.038 1.00 64.31 H new ATOM 0 HG2 MET A 40 -10.084 4.776 -14.782 1.00 2.03 H new ATOM 0 HG3 MET A 40 -10.346 3.163 -14.150 1.00 2.03 H new ATOM 0 HE1 MET A 40 -12.434 2.734 -17.350 1.00 72.31 H new ATOM 0 HE2 MET A 40 -10.813 3.432 -17.122 1.00 72.31 H new ATOM 0 HE3 MET A 40 -11.295 1.985 -16.206 1.00 72.31 H new ATOM 608 N GLU A 41 -9.300 7.456 -12.412 1.00 61.24 N ATOM 609 CA GLU A 41 -9.311 8.881 -12.103 1.00 32.33 C ATOM 610 C GLU A 41 -9.549 9.709 -13.362 1.00 5.31 C ATOM 611 O GLU A 41 -8.926 9.476 -14.397 1.00 24.40 O ATOM 612 CB GLU A 41 -7.991 9.293 -11.449 1.00 1.54 C ATOM 613 CG GLU A 41 -7.745 8.631 -10.103 1.00 42.24 C ATOM 614 CD GLU A 41 -7.777 9.618 -8.953 1.00 1.13 C ATOM 615 OE1 GLU A 41 -8.867 10.152 -8.658 1.00 65.13 O ATOM 616 OE2 GLU A 41 -6.711 9.856 -8.346 1.00 52.13 O ATOM 0 H GLU A 41 -8.735 7.205 -13.223 1.00 61.24 H new ATOM 0 HA GLU A 41 -10.128 9.070 -11.406 1.00 32.33 H new ATOM 0 HB2 GLU A 41 -7.170 9.046 -12.121 1.00 1.54 H new ATOM 0 HB3 GLU A 41 -7.982 10.375 -11.319 1.00 1.54 H new ATOM 0 HG2 GLU A 41 -8.499 7.862 -9.938 1.00 42.24 H new ATOM 0 HG3 GLU A 41 -6.777 8.130 -10.120 1.00 42.24 H new ATOM 623 N GLU A 42 -10.454 10.678 -13.264 1.00 73.51 N ATOM 624 CA GLU A 42 -10.775 11.540 -14.396 1.00 21.35 C ATOM 625 C GLU A 42 -10.474 13.000 -14.069 1.00 74.23 C ATOM 626 O GLU A 42 -10.874 13.508 -13.021 1.00 44.31 O ATOM 627 CB GLU A 42 -12.247 11.385 -14.782 1.00 72.32 C ATOM 628 CG GLU A 42 -12.577 10.033 -15.392 1.00 73.22 C ATOM 629 CD GLU A 42 -14.009 9.609 -15.131 1.00 35.22 C ATOM 630 OE1 GLU A 42 -14.285 9.095 -14.026 1.00 44.25 O ATOM 631 OE2 GLU A 42 -14.855 9.791 -16.032 1.00 13.25 O ATOM 0 H GLU A 42 -10.977 10.886 -12.413 1.00 73.51 H new ATOM 0 HA GLU A 42 -10.153 11.238 -15.239 1.00 21.35 H new ATOM 0 HB2 GLU A 42 -12.864 11.535 -13.896 1.00 72.32 H new ATOM 0 HB3 GLU A 42 -12.512 12.169 -15.491 1.00 72.32 H new ATOM 0 HG2 GLU A 42 -12.404 10.072 -16.467 1.00 73.22 H new ATOM 0 HG3 GLU A 42 -11.900 9.281 -14.987 1.00 73.22 H new ATOM 638 N HIS A 43 -9.767 13.669 -14.974 1.00 74.04 N ATOM 639 CA HIS A 43 -9.413 15.071 -14.784 1.00 23.13 C ATOM 640 C HIS A 43 -9.190 15.762 -16.125 1.00 53.44 C ATOM 641 O HIS A 43 -8.641 15.172 -17.056 1.00 33.14 O ATOM 642 CB HIS A 43 -8.155 15.188 -13.922 1.00 13.02 C ATOM 643 CG HIS A 43 -8.431 15.138 -12.451 1.00 22.45 C ATOM 644 ND1 HIS A 43 -8.091 14.062 -11.658 1.00 25.05 N ATOM 645 CD2 HIS A 43 -9.016 16.039 -11.628 1.00 53.10 C ATOM 646 CE1 HIS A 43 -8.456 14.303 -10.411 1.00 54.43 C ATOM 647 NE2 HIS A 43 -9.020 15.497 -10.366 1.00 73.04 N ATOM 0 H HIS A 43 -9.428 13.263 -15.846 1.00 74.04 H new ATOM 0 HA HIS A 43 -10.241 15.564 -14.275 1.00 23.13 H new ATOM 0 HB2 HIS A 43 -7.470 14.381 -14.182 1.00 13.02 H new ATOM 0 HB3 HIS A 43 -7.649 16.125 -14.157 1.00 13.02 H new ATOM 0 HD2 HIS A 43 -9.407 17.005 -11.911 1.00 53.10 H new ATOM 0 HE1 HIS A 43 -8.317 13.638 -9.572 1.00 54.43 H new ATOM 0 HE2 HIS A 43 -9.397 15.944 -9.530 1.00 73.04 H new ATOM 655 N SER A 44 -9.621 17.016 -16.218 1.00 40.40 N ATOM 656 CA SER A 44 -9.473 17.787 -17.447 1.00 70.33 C ATOM 657 C SER A 44 -8.422 18.880 -17.280 1.00 55.40 C ATOM 658 O SER A 44 -8.539 19.741 -16.407 1.00 60.22 O ATOM 659 CB SER A 44 -10.812 18.407 -17.850 1.00 12.44 C ATOM 660 OG SER A 44 -11.802 18.167 -16.864 1.00 50.33 O ATOM 0 H SER A 44 -10.076 17.520 -15.457 1.00 40.40 H new ATOM 0 HA SER A 44 -9.144 17.109 -18.234 1.00 70.33 H new ATOM 0 HB2 SER A 44 -10.691 19.481 -17.994 1.00 12.44 H new ATOM 0 HB3 SER A 44 -11.136 17.992 -18.804 1.00 12.44 H new ATOM 0 HG SER A 44 -12.676 18.455 -17.201 1.00 50.33 H new ATOM 666 N PHE A 45 -7.396 18.840 -18.123 1.00 51.02 N ATOM 667 CA PHE A 45 -6.323 19.826 -18.069 1.00 52.23 C ATOM 668 C PHE A 45 -5.969 20.166 -16.625 1.00 11.24 C ATOM 669 O PHE A 45 -5.739 21.328 -16.286 1.00 25.42 O ATOM 670 CB PHE A 45 -6.731 21.096 -18.819 1.00 12.33 C ATOM 671 CG PHE A 45 -5.584 22.028 -19.089 1.00 31.43 C ATOM 672 CD1 PHE A 45 -4.536 21.638 -19.906 1.00 65.31 C ATOM 673 CD2 PHE A 45 -5.554 23.293 -18.525 1.00 32.25 C ATOM 674 CE1 PHE A 45 -3.479 22.492 -20.157 1.00 4.40 C ATOM 675 CE2 PHE A 45 -4.500 24.152 -18.772 1.00 72.21 C ATOM 676 CZ PHE A 45 -3.461 23.751 -19.588 1.00 64.22 C ATOM 0 H PHE A 45 -7.285 18.135 -18.852 1.00 51.02 H new ATOM 0 HA PHE A 45 -5.443 19.396 -18.548 1.00 52.23 H new ATOM 0 HB2 PHE A 45 -7.192 20.817 -19.766 1.00 12.33 H new ATOM 0 HB3 PHE A 45 -7.488 21.623 -18.239 1.00 12.33 H new ATOM 0 HD1 PHE A 45 -4.545 20.655 -20.352 1.00 65.31 H new ATOM 0 HD2 PHE A 45 -6.364 23.611 -17.885 1.00 32.25 H new ATOM 0 HE1 PHE A 45 -2.668 22.176 -20.797 1.00 4.40 H new ATOM 0 HE2 PHE A 45 -4.489 25.136 -18.327 1.00 72.21 H new ATOM 0 HZ PHE A 45 -2.636 24.420 -19.781 1.00 64.22 H new ATOM 686 N THR A 46 -5.928 19.144 -15.775 1.00 52.22 N ATOM 687 CA THR A 46 -5.604 19.333 -14.367 1.00 13.31 C ATOM 688 C THR A 46 -5.018 18.063 -13.762 1.00 72.31 C ATOM 689 O THR A 46 -5.037 17.877 -12.545 1.00 74.12 O ATOM 690 CB THR A 46 -6.846 19.749 -13.556 1.00 31.22 C ATOM 691 OG1 THR A 46 -6.476 20.025 -12.200 1.00 71.23 O ATOM 692 CG2 THR A 46 -7.903 18.655 -13.586 1.00 21.14 C ATOM 0 H THR A 46 -6.115 18.177 -16.038 1.00 52.22 H new ATOM 0 HA THR A 46 -4.863 20.131 -14.318 1.00 13.31 H new ATOM 0 HB THR A 46 -7.264 20.648 -14.008 1.00 31.22 H new ATOM 0 HG1 THR A 46 -5.844 19.344 -11.888 1.00 71.23 H new ATOM 0 HG21 THR A 46 -8.770 18.971 -13.007 1.00 21.14 H new ATOM 0 HG22 THR A 46 -8.204 18.468 -14.617 1.00 21.14 H new ATOM 0 HG23 THR A 46 -7.493 17.741 -13.156 1.00 21.14 H new ATOM 700 N ASP A 47 -4.497 17.191 -14.619 1.00 11.33 N ATOM 701 CA ASP A 47 -3.903 15.938 -14.168 1.00 72.12 C ATOM 702 C ASP A 47 -2.424 15.874 -14.536 1.00 52.15 C ATOM 703 O ASP A 47 -1.770 14.850 -14.341 1.00 11.54 O ATOM 704 CB ASP A 47 -4.645 14.748 -14.779 1.00 54.42 C ATOM 705 CG ASP A 47 -5.104 13.752 -13.732 1.00 51.42 C ATOM 706 OD1 ASP A 47 -5.454 14.186 -12.615 1.00 30.22 O ATOM 707 OD2 ASP A 47 -5.112 12.539 -14.030 1.00 54.40 O ATOM 0 H ASP A 47 -4.474 17.329 -15.629 1.00 11.33 H new ATOM 0 HA ASP A 47 -3.991 15.893 -13.083 1.00 72.12 H new ATOM 0 HB2 ASP A 47 -5.509 15.110 -15.336 1.00 54.42 H new ATOM 0 HB3 ASP A 47 -3.993 14.245 -15.493 1.00 54.42 H new ATOM 712 N GLU A 48 -1.905 16.975 -15.072 1.00 23.43 N ATOM 713 CA GLU A 48 -0.503 17.042 -15.469 1.00 73.20 C ATOM 714 C GLU A 48 -0.117 15.828 -16.310 1.00 55.52 C ATOM 715 O GLU A 48 1.028 15.382 -16.286 1.00 25.31 O ATOM 716 CB GLU A 48 0.396 17.127 -14.234 1.00 43.13 C ATOM 717 CG GLU A 48 0.507 18.529 -13.658 1.00 23.43 C ATOM 718 CD GLU A 48 1.103 18.540 -12.263 1.00 42.24 C ATOM 719 OE1 GLU A 48 0.552 17.856 -11.376 1.00 51.12 O ATOM 720 OE2 GLU A 48 2.122 19.234 -12.060 1.00 34.00 O ATOM 0 H GLU A 48 -2.433 17.831 -15.241 1.00 23.43 H new ATOM 0 HA GLU A 48 -0.365 17.939 -16.072 1.00 73.20 H new ATOM 0 HB2 GLU A 48 0.009 16.457 -13.466 1.00 43.13 H new ATOM 0 HB3 GLU A 48 1.392 16.770 -14.495 1.00 43.13 H new ATOM 0 HG2 GLU A 48 1.123 19.141 -14.317 1.00 23.43 H new ATOM 0 HG3 GLU A 48 -0.482 18.986 -13.630 1.00 23.43 H new ATOM 727 N GLY A 49 -1.084 15.299 -17.054 1.00 15.32 N ATOM 728 CA GLY A 49 -0.827 14.142 -17.891 1.00 54.55 C ATOM 729 C GLY A 49 -0.621 14.514 -19.346 1.00 53.54 C ATOM 730 O GLY A 49 0.294 14.013 -19.999 1.00 51.05 O ATOM 0 H GLY A 49 -2.040 15.651 -17.092 1.00 15.32 H new ATOM 0 HA2 GLY A 49 0.057 13.621 -17.524 1.00 54.55 H new ATOM 0 HA3 GLY A 49 -1.663 13.447 -17.812 1.00 54.55 H new ATOM 734 N VAL A 50 -1.476 15.396 -19.857 1.00 64.41 N ATOM 735 CA VAL A 50 -1.384 15.834 -21.245 1.00 4.14 C ATOM 736 C VAL A 50 -0.929 17.287 -21.333 1.00 22.51 C ATOM 737 O VAL A 50 -1.383 18.136 -20.567 1.00 45.44 O ATOM 738 CB VAL A 50 -2.734 15.685 -21.971 1.00 5.20 C ATOM 739 CG1 VAL A 50 -3.744 16.686 -21.431 1.00 42.12 C ATOM 740 CG2 VAL A 50 -2.552 15.855 -23.472 1.00 11.02 C ATOM 0 H VAL A 50 -2.239 15.821 -19.330 1.00 64.41 H new ATOM 0 HA VAL A 50 -0.647 15.195 -21.731 1.00 4.14 H new ATOM 0 HB VAL A 50 -3.118 14.682 -21.786 1.00 5.20 H new ATOM 0 HG11 VAL A 50 -4.692 16.566 -21.956 1.00 42.12 H new ATOM 0 HG12 VAL A 50 -3.895 16.512 -20.366 1.00 42.12 H new ATOM 0 HG13 VAL A 50 -3.370 17.698 -21.584 1.00 42.12 H new ATOM 0 HG21 VAL A 50 -3.516 15.747 -23.970 1.00 11.02 H new ATOM 0 HG22 VAL A 50 -2.146 16.845 -23.679 1.00 11.02 H new ATOM 0 HG23 VAL A 50 -1.864 15.095 -23.843 1.00 11.02 H new ATOM 750 N GLU A 51 -0.030 17.564 -22.272 1.00 70.54 N ATOM 751 CA GLU A 51 0.486 18.914 -22.460 1.00 43.22 C ATOM 752 C GLU A 51 -0.076 19.540 -23.733 1.00 75.33 C ATOM 753 O GLU A 51 -0.265 18.858 -24.741 1.00 74.11 O ATOM 754 CB GLU A 51 2.015 18.896 -22.521 1.00 21.14 C ATOM 755 CG GLU A 51 2.672 18.525 -21.202 1.00 30.13 C ATOM 756 CD GLU A 51 4.080 19.073 -21.077 1.00 23.03 C ATOM 757 OE1 GLU A 51 4.757 19.210 -22.117 1.00 63.03 O ATOM 758 OE2 GLU A 51 4.505 19.365 -19.939 1.00 64.55 O ATOM 0 H GLU A 51 0.356 16.872 -22.914 1.00 70.54 H new ATOM 0 HA GLU A 51 0.170 19.517 -21.609 1.00 43.22 H new ATOM 0 HB2 GLU A 51 2.331 18.188 -23.287 1.00 21.14 H new ATOM 0 HB3 GLU A 51 2.370 19.879 -22.830 1.00 21.14 H new ATOM 0 HG2 GLU A 51 2.065 18.903 -20.379 1.00 30.13 H new ATOM 0 HG3 GLU A 51 2.699 17.440 -21.106 1.00 30.13 H new ATOM 765 N ILE A 52 -0.342 20.840 -23.679 1.00 15.43 N ATOM 766 CA ILE A 52 -0.883 21.558 -24.827 1.00 21.14 C ATOM 767 C ILE A 52 0.136 22.543 -25.389 1.00 24.02 C ATOM 768 O ILE A 52 0.809 23.252 -24.640 1.00 35.33 O ATOM 769 CB ILE A 52 -2.169 22.321 -24.459 1.00 10.22 C ATOM 770 CG1 ILE A 52 -3.047 21.471 -23.538 1.00 41.20 C ATOM 771 CG2 ILE A 52 -2.932 22.710 -25.716 1.00 40.23 C ATOM 772 CD1 ILE A 52 -3.409 20.124 -24.123 1.00 12.00 C ATOM 0 H ILE A 52 -0.192 21.418 -22.852 1.00 15.43 H new ATOM 0 HA ILE A 52 -1.118 20.810 -25.584 1.00 21.14 H new ATOM 0 HB ILE A 52 -1.894 23.232 -23.928 1.00 10.22 H new ATOM 0 HG12 ILE A 52 -2.527 21.319 -22.592 1.00 41.20 H new ATOM 0 HG13 ILE A 52 -3.962 22.019 -23.315 1.00 41.20 H new ATOM 0 HG21 ILE A 52 -3.838 23.249 -25.439 1.00 40.23 H new ATOM 0 HG22 ILE A 52 -2.306 23.349 -26.339 1.00 40.23 H new ATOM 0 HG23 ILE A 52 -3.199 21.811 -26.272 1.00 40.23 H new ATOM 0 HD11 ILE A 52 -4.032 19.576 -23.416 1.00 12.00 H new ATOM 0 HD12 ILE A 52 -3.957 20.267 -25.054 1.00 12.00 H new ATOM 0 HD13 ILE A 52 -2.499 19.557 -24.321 1.00 12.00 H new ATOM 784 N SER A 53 0.244 22.583 -26.713 1.00 4.11 N ATOM 785 CA SER A 53 1.183 23.480 -27.376 1.00 42.24 C ATOM 786 C SER A 53 0.551 24.109 -28.614 1.00 40.33 C ATOM 787 O SER A 53 -0.112 23.432 -29.398 1.00 54.25 O ATOM 788 CB SER A 53 2.454 22.724 -27.767 1.00 44.14 C ATOM 789 OG SER A 53 3.608 23.360 -27.244 1.00 55.32 O ATOM 0 H SER A 53 -0.307 22.005 -27.348 1.00 4.11 H new ATOM 0 HA SER A 53 1.442 24.275 -26.677 1.00 42.24 H new ATOM 0 HB2 SER A 53 2.400 21.700 -27.397 1.00 44.14 H new ATOM 0 HB3 SER A 53 2.527 22.667 -28.853 1.00 44.14 H new ATOM 0 HG SER A 53 4.407 22.856 -27.507 1.00 55.32 H new ATOM 795 N GLY A 54 0.762 25.411 -28.783 1.00 4.24 N ATOM 796 CA GLY A 54 0.207 26.111 -29.926 1.00 42.22 C ATOM 797 C GLY A 54 -0.863 27.110 -29.531 1.00 64.23 C ATOM 798 O GLY A 54 -1.151 28.047 -30.275 1.00 54.42 O ATOM 0 H GLY A 54 1.308 25.993 -28.148 1.00 4.24 H new ATOM 0 HA2 GLY A 54 1.007 26.630 -30.454 1.00 42.22 H new ATOM 0 HA3 GLY A 54 -0.216 25.386 -30.622 1.00 42.22 H new ATOM 802 N TYR A 55 -1.453 26.909 -28.359 1.00 34.43 N ATOM 803 CA TYR A 55 -2.501 27.797 -27.868 1.00 64.41 C ATOM 804 C TYR A 55 -1.900 29.031 -27.202 1.00 34.10 C ATOM 805 O TYR A 55 -0.889 28.944 -26.505 1.00 13.21 O ATOM 806 CB TYR A 55 -3.403 27.057 -26.879 1.00 11.43 C ATOM 807 CG TYR A 55 -3.432 27.682 -25.502 1.00 40.31 C ATOM 808 CD1 TYR A 55 -4.260 28.763 -25.226 1.00 11.41 C ATOM 809 CD2 TYR A 55 -2.631 27.193 -24.478 1.00 62.52 C ATOM 810 CE1 TYR A 55 -4.289 29.338 -23.970 1.00 14.10 C ATOM 811 CE2 TYR A 55 -2.655 27.760 -23.219 1.00 22.11 C ATOM 812 CZ TYR A 55 -3.485 28.832 -22.970 1.00 14.52 C ATOM 813 OH TYR A 55 -3.511 29.401 -21.717 1.00 51.41 O ATOM 0 H TYR A 55 -1.224 26.139 -27.730 1.00 34.43 H new ATOM 0 HA TYR A 55 -3.098 28.121 -28.721 1.00 64.41 H new ATOM 0 HB2 TYR A 55 -4.417 27.028 -27.277 1.00 11.43 H new ATOM 0 HB3 TYR A 55 -3.064 26.025 -26.793 1.00 11.43 H new ATOM 0 HD1 TYR A 55 -4.892 29.161 -26.007 1.00 11.41 H new ATOM 0 HD2 TYR A 55 -1.978 26.355 -24.670 1.00 62.52 H new ATOM 0 HE1 TYR A 55 -4.937 30.179 -23.772 1.00 14.10 H new ATOM 0 HE2 TYR A 55 -2.027 27.366 -22.434 1.00 22.11 H new ATOM 0 HH TYR A 55 -2.887 28.926 -21.129 1.00 51.41 H new ATOM 823 N ASP A 56 -2.531 30.179 -27.422 1.00 13.14 N ATOM 824 CA ASP A 56 -2.062 31.432 -26.842 1.00 51.41 C ATOM 825 C ASP A 56 -2.790 31.733 -25.536 1.00 13.23 C ATOM 826 O ASP A 56 -4.019 31.788 -25.497 1.00 30.20 O ATOM 827 CB ASP A 56 -2.264 32.583 -27.830 1.00 31.25 C ATOM 828 CG ASP A 56 -0.963 33.272 -28.190 1.00 24.23 C ATOM 829 OD1 ASP A 56 -0.281 33.770 -27.270 1.00 14.42 O ATOM 830 OD2 ASP A 56 -0.626 33.313 -29.392 1.00 4.12 O ATOM 0 H ASP A 56 -3.368 30.268 -27.998 1.00 13.14 H new ATOM 0 HA ASP A 56 -0.998 31.329 -26.628 1.00 51.41 H new ATOM 0 HB2 ASP A 56 -2.733 32.201 -28.737 1.00 31.25 H new ATOM 0 HB3 ASP A 56 -2.950 33.312 -27.399 1.00 31.25 H new ATOM 835 N ALA A 57 -2.023 31.926 -24.468 1.00 14.33 N ATOM 836 CA ALA A 57 -2.595 32.222 -23.160 1.00 13.30 C ATOM 837 C ALA A 57 -2.976 33.695 -23.048 1.00 23.33 C ATOM 838 O ALA A 57 -3.477 34.138 -22.015 1.00 23.02 O ATOM 839 CB ALA A 57 -1.617 31.842 -22.058 1.00 53.40 C ATOM 0 H ALA A 57 -1.004 31.883 -24.483 1.00 14.33 H new ATOM 0 HA ALA A 57 -3.503 31.629 -23.045 1.00 13.30 H new ATOM 0 HB1 ALA A 57 -2.057 32.068 -21.087 1.00 53.40 H new ATOM 0 HB2 ALA A 57 -1.398 30.776 -22.117 1.00 53.40 H new ATOM 0 HB3 ALA A 57 -0.694 32.409 -22.179 1.00 53.40 H new ATOM 845 N GLN A 58 -2.734 34.447 -24.117 1.00 22.25 N ATOM 846 CA GLN A 58 -3.050 35.870 -24.136 1.00 53.00 C ATOM 847 C GLN A 58 -4.235 36.152 -25.055 1.00 22.34 C ATOM 848 O GLN A 58 -4.817 37.236 -25.020 1.00 32.11 O ATOM 849 CB GLN A 58 -1.834 36.678 -24.590 1.00 42.43 C ATOM 850 CG GLN A 58 -1.010 37.236 -23.441 1.00 13.42 C ATOM 851 CD GLN A 58 -1.583 38.525 -22.884 1.00 42.14 C ATOM 852 OE1 GLN A 58 -2.676 38.539 -22.319 1.00 35.23 O ATOM 853 NE2 GLN A 58 -0.845 39.618 -23.042 1.00 61.30 N ATOM 0 H GLN A 58 -2.321 34.095 -24.980 1.00 22.25 H new ATOM 0 HA GLN A 58 -3.319 36.170 -23.123 1.00 53.00 H new ATOM 0 HB2 GLN A 58 -1.198 36.045 -25.208 1.00 42.43 H new ATOM 0 HB3 GLN A 58 -2.170 37.502 -25.219 1.00 42.43 H new ATOM 0 HG2 GLN A 58 -0.954 36.494 -22.645 1.00 13.42 H new ATOM 0 HG3 GLN A 58 0.010 37.414 -23.783 1.00 13.42 H new ATOM 0 HE21 GLN A 58 0.056 39.561 -23.517 1.00 61.30 H new ATOM 0 HE22 GLN A 58 -1.179 40.514 -22.688 1.00 61.30 H new ATOM 862 N LYS A 59 -4.586 35.169 -25.877 1.00 34.24 N ATOM 863 CA LYS A 59 -5.702 35.309 -26.805 1.00 11.32 C ATOM 864 C LYS A 59 -6.047 33.970 -27.448 1.00 23.21 C ATOM 865 O LYS A 59 -5.254 33.028 -27.410 1.00 44.44 O ATOM 866 CB LYS A 59 -5.364 36.336 -27.889 1.00 35.44 C ATOM 867 CG LYS A 59 -5.967 37.707 -27.637 1.00 30.14 C ATOM 868 CD LYS A 59 -4.925 38.805 -27.761 1.00 44.51 C ATOM 869 CE LYS A 59 -5.490 40.159 -27.359 1.00 75.12 C ATOM 870 NZ LYS A 59 -5.505 40.337 -25.881 1.00 13.02 N ATOM 0 H LYS A 59 -4.113 34.266 -25.919 1.00 34.24 H new ATOM 0 HA LYS A 59 -6.569 35.655 -26.242 1.00 11.32 H new ATOM 0 HB2 LYS A 59 -4.281 36.432 -27.961 1.00 35.44 H new ATOM 0 HB3 LYS A 59 -5.716 35.965 -28.852 1.00 35.44 H new ATOM 0 HG2 LYS A 59 -6.773 37.887 -28.348 1.00 30.14 H new ATOM 0 HG3 LYS A 59 -6.409 37.734 -26.641 1.00 30.14 H new ATOM 0 HD2 LYS A 59 -4.067 38.566 -27.132 1.00 44.51 H new ATOM 0 HD3 LYS A 59 -4.564 38.851 -28.788 1.00 44.51 H new ATOM 0 HE2 LYS A 59 -4.895 40.951 -27.814 1.00 75.12 H new ATOM 0 HE3 LYS A 59 -6.504 40.259 -27.747 1.00 75.12 H new ATOM 0 HZ1 LYS A 59 -6.443 40.673 -25.581 1.00 13.02 H new ATOM 0 HZ2 LYS A 59 -5.299 39.428 -25.420 1.00 13.02 H new ATOM 0 HZ3 LYS A 59 -4.784 41.035 -25.608 1.00 13.02 H new ATOM 884 N THR A 60 -7.235 33.891 -28.040 1.00 23.44 N ATOM 885 CA THR A 60 -7.684 32.667 -28.691 1.00 61.13 C ATOM 886 C THR A 60 -8.120 32.937 -30.127 1.00 22.41 C ATOM 887 O THR A 60 -7.378 32.671 -31.072 1.00 21.24 O ATOM 888 CB THR A 60 -8.853 32.019 -27.925 1.00 65.22 C ATOM 889 OG1 THR A 60 -9.744 33.031 -27.444 1.00 22.13 O ATOM 890 CG2 THR A 60 -8.340 31.190 -26.757 1.00 72.32 C ATOM 0 H THR A 60 -7.903 34.661 -28.082 1.00 23.44 H new ATOM 0 HA THR A 60 -6.837 31.981 -28.694 1.00 61.13 H new ATOM 0 HB THR A 60 -9.388 31.361 -28.610 1.00 65.22 H new ATOM 0 HG1 THR A 60 -9.378 33.427 -26.626 1.00 22.13 H new ATOM 0 HG21 THR A 60 -9.183 30.742 -26.231 1.00 72.32 H new ATOM 0 HG22 THR A 60 -7.685 30.403 -27.130 1.00 72.32 H new ATOM 0 HG23 THR A 60 -7.784 31.831 -26.073 1.00 72.32 H new ATOM 898 N GLY A 61 -9.329 33.467 -30.284 1.00 2.42 N ATOM 899 CA GLY A 61 -9.842 33.765 -31.608 1.00 72.12 C ATOM 900 C GLY A 61 -9.623 32.626 -32.584 1.00 43.24 C ATOM 901 O GLY A 61 -9.009 32.811 -33.636 1.00 33.42 O ATOM 0 H GLY A 61 -9.962 33.695 -29.518 1.00 2.42 H new ATOM 0 HA2 GLY A 61 -10.908 33.982 -31.541 1.00 72.12 H new ATOM 0 HA3 GLY A 61 -9.357 34.664 -31.989 1.00 72.12 H new ATOM 905 N ARG A 62 -10.123 31.445 -32.236 1.00 12.40 N ATOM 906 CA ARG A 62 -9.976 30.272 -33.088 1.00 61.31 C ATOM 907 C ARG A 62 -8.506 29.891 -33.240 1.00 31.24 C ATOM 908 O ARG A 62 -7.950 29.949 -34.336 1.00 75.31 O ATOM 909 CB ARG A 62 -10.590 30.534 -34.464 1.00 72.14 C ATOM 910 CG ARG A 62 -10.937 29.266 -35.228 1.00 14.31 C ATOM 911 CD ARG A 62 -10.193 29.192 -36.552 1.00 20.12 C ATOM 912 NE ARG A 62 -10.767 28.191 -37.447 1.00 23.42 N ATOM 913 CZ ARG A 62 -11.879 28.382 -38.147 1.00 41.34 C ATOM 914 NH1 ARG A 62 -12.533 29.532 -38.057 1.00 72.14 N ATOM 915 NH2 ARG A 62 -12.338 27.423 -38.941 1.00 34.13 N ATOM 0 H ARG A 62 -10.634 31.275 -31.369 1.00 12.40 H new ATOM 0 HA ARG A 62 -10.502 29.443 -32.615 1.00 61.31 H new ATOM 0 HB2 ARG A 62 -11.493 31.133 -34.342 1.00 72.14 H new ATOM 0 HB3 ARG A 62 -9.893 31.126 -35.057 1.00 72.14 H new ATOM 0 HG2 ARG A 62 -10.689 28.395 -34.621 1.00 14.31 H new ATOM 0 HG3 ARG A 62 -12.011 29.232 -35.411 1.00 14.31 H new ATOM 0 HD2 ARG A 62 -10.217 30.168 -37.037 1.00 20.12 H new ATOM 0 HD3 ARG A 62 -9.146 28.954 -36.366 1.00 20.12 H new ATOM 0 HE ARG A 62 -10.287 27.296 -37.540 1.00 23.42 H new ATOM 0 HH11 ARG A 62 -12.182 30.272 -37.449 1.00 72.14 H new ATOM 0 HH12 ARG A 62 -13.387 29.677 -38.596 1.00 72.14 H new ATOM 0 HH21 ARG A 62 -11.836 26.538 -39.014 1.00 34.13 H new ATOM 0 HH22 ARG A 62 -13.192 27.571 -39.478 1.00 34.13 H new ATOM 929 N GLN A 63 -7.884 29.502 -32.131 1.00 45.34 N ATOM 930 CA GLN A 63 -6.478 29.113 -32.142 1.00 12.54 C ATOM 931 C GLN A 63 -6.333 27.595 -32.129 1.00 54.33 C ATOM 932 O GLN A 63 -7.133 26.889 -31.514 1.00 2.13 O ATOM 933 CB GLN A 63 -5.752 29.717 -30.938 1.00 64.32 C ATOM 934 CG GLN A 63 -4.281 30.001 -31.196 1.00 3.43 C ATOM 935 CD GLN A 63 -4.066 31.232 -32.055 1.00 71.32 C ATOM 936 OE1 GLN A 63 -5.019 31.820 -32.566 1.00 55.21 O ATOM 937 NE2 GLN A 63 -2.809 31.628 -32.219 1.00 73.42 N ATOM 0 H GLN A 63 -8.330 29.448 -31.215 1.00 45.34 H new ATOM 0 HA GLN A 63 -6.028 29.494 -33.059 1.00 12.54 H new ATOM 0 HB2 GLN A 63 -6.248 30.645 -30.653 1.00 64.32 H new ATOM 0 HB3 GLN A 63 -5.839 29.035 -30.092 1.00 64.32 H new ATOM 0 HG2 GLN A 63 -3.768 30.133 -30.243 1.00 3.43 H new ATOM 0 HG3 GLN A 63 -3.829 29.138 -31.685 1.00 3.43 H new ATOM 0 HE21 GLN A 63 -2.049 31.110 -31.777 1.00 73.42 H new ATOM 0 HE22 GLN A 63 -2.603 32.450 -32.787 1.00 73.42 H new ATOM 946 N THR A 64 -5.308 27.098 -32.814 1.00 20.11 N ATOM 947 CA THR A 64 -5.059 25.664 -32.883 1.00 71.42 C ATOM 948 C THR A 64 -4.368 25.164 -31.620 1.00 31.23 C ATOM 949 O THR A 64 -3.501 25.840 -31.065 1.00 1.21 O ATOM 950 CB THR A 64 -4.194 25.302 -34.105 1.00 43.01 C ATOM 951 OG1 THR A 64 -4.909 25.584 -35.313 1.00 35.21 O ATOM 952 CG2 THR A 64 -3.800 23.833 -34.074 1.00 32.12 C ATOM 0 H THR A 64 -4.637 27.668 -33.329 1.00 20.11 H new ATOM 0 HA THR A 64 -6.031 25.179 -32.978 1.00 71.42 H new ATOM 0 HB THR A 64 -3.287 25.906 -34.071 1.00 43.01 H new ATOM 0 HG1 THR A 64 -4.351 25.353 -36.085 1.00 35.21 H new ATOM 0 HG21 THR A 64 -3.190 23.601 -34.947 1.00 32.12 H new ATOM 0 HG22 THR A 64 -3.230 23.628 -33.168 1.00 32.12 H new ATOM 0 HG23 THR A 64 -4.698 23.215 -34.085 1.00 32.12 H new ATOM 960 N LEU A 65 -4.756 23.976 -31.169 1.00 73.13 N ATOM 961 CA LEU A 65 -4.173 23.384 -29.970 1.00 50.41 C ATOM 962 C LEU A 65 -3.789 21.928 -30.213 1.00 14.14 C ATOM 963 O LEU A 65 -4.569 21.153 -30.769 1.00 4.24 O ATOM 964 CB LEU A 65 -5.156 23.477 -28.802 1.00 32.11 C ATOM 965 CG LEU A 65 -5.488 24.888 -28.314 1.00 74.44 C ATOM 966 CD1 LEU A 65 -6.691 25.441 -29.062 1.00 50.54 C ATOM 967 CD2 LEU A 65 -5.745 24.887 -26.814 1.00 70.14 C ATOM 0 H LEU A 65 -5.472 23.404 -31.616 1.00 73.13 H new ATOM 0 HA LEU A 65 -3.270 23.941 -29.721 1.00 50.41 H new ATOM 0 HB2 LEU A 65 -6.085 22.988 -29.095 1.00 32.11 H new ATOM 0 HB3 LEU A 65 -4.748 22.911 -27.964 1.00 32.11 H new ATOM 0 HG LEU A 65 -4.632 25.533 -28.515 1.00 74.44 H new ATOM 0 HD11 LEU A 65 -6.913 26.446 -28.702 1.00 50.54 H new ATOM 0 HD12 LEU A 65 -6.470 25.478 -30.129 1.00 50.54 H new ATOM 0 HD13 LEU A 65 -7.553 24.796 -28.892 1.00 50.54 H new ATOM 0 HD21 LEU A 65 -5.980 25.899 -26.484 1.00 70.14 H new ATOM 0 HD22 LEU A 65 -6.584 24.228 -26.589 1.00 70.14 H new ATOM 0 HD23 LEU A 65 -4.856 24.533 -26.293 1.00 70.14 H new ATOM 979 N THR A 66 -2.584 21.561 -29.790 1.00 64.30 N ATOM 980 CA THR A 66 -2.097 20.198 -29.960 1.00 63.40 C ATOM 981 C THR A 66 -1.818 19.541 -28.613 1.00 4.43 C ATOM 982 O THR A 66 -0.858 19.894 -27.926 1.00 24.41 O ATOM 983 CB THR A 66 -0.813 20.162 -30.811 1.00 74.44 C ATOM 984 OG1 THR A 66 -0.385 21.495 -31.108 1.00 4.32 O ATOM 985 CG2 THR A 66 -1.045 19.398 -32.107 1.00 3.14 C ATOM 0 H THR A 66 -1.927 22.189 -29.327 1.00 64.30 H new ATOM 0 HA THR A 66 -2.882 19.645 -30.475 1.00 63.40 H new ATOM 0 HB THR A 66 -0.038 19.651 -30.239 1.00 74.44 H new ATOM 0 HG1 THR A 66 -0.171 21.963 -30.274 1.00 4.32 H new ATOM 0 HG21 THR A 66 -0.125 19.386 -32.692 1.00 3.14 H new ATOM 0 HG22 THR A 66 -1.343 18.375 -31.878 1.00 3.14 H new ATOM 0 HG23 THR A 66 -1.833 19.886 -32.681 1.00 3.14 H new ATOM 993 N LEU A 67 -2.661 18.585 -28.240 1.00 12.54 N ATOM 994 CA LEU A 67 -2.505 17.878 -26.973 1.00 43.42 C ATOM 995 C LEU A 67 -1.809 16.537 -27.181 1.00 31.11 C ATOM 996 O LEU A 67 -2.244 15.719 -27.992 1.00 51.14 O ATOM 997 CB LEU A 67 -3.869 17.662 -26.315 1.00 43.24 C ATOM 998 CG LEU A 67 -4.916 16.941 -27.164 1.00 33.31 C ATOM 999 CD1 LEU A 67 -5.689 15.939 -26.320 1.00 61.21 C ATOM 1000 CD2 LEU A 67 -5.864 17.943 -27.806 1.00 73.25 C ATOM 0 H LEU A 67 -3.460 18.281 -28.797 1.00 12.54 H new ATOM 0 HA LEU A 67 -1.886 18.490 -26.317 1.00 43.42 H new ATOM 0 HB2 LEU A 67 -3.721 17.094 -25.396 1.00 43.24 H new ATOM 0 HB3 LEU A 67 -4.270 18.634 -26.028 1.00 43.24 H new ATOM 0 HG LEU A 67 -4.402 16.398 -27.957 1.00 33.31 H new ATOM 0 HD11 LEU A 67 -6.430 15.435 -26.941 1.00 61.21 H new ATOM 0 HD12 LEU A 67 -5.000 15.202 -25.908 1.00 61.21 H new ATOM 0 HD13 LEU A 67 -6.192 16.461 -25.506 1.00 61.21 H new ATOM 0 HD21 LEU A 67 -6.602 17.412 -28.407 1.00 73.25 H new ATOM 0 HD22 LEU A 67 -6.371 18.514 -27.028 1.00 73.25 H new ATOM 0 HD23 LEU A 67 -5.298 18.622 -28.444 1.00 73.25 H new ATOM 1012 N HIS A 68 -0.727 16.316 -26.441 1.00 12.22 N ATOM 1013 CA HIS A 68 0.027 15.072 -26.542 1.00 3.03 C ATOM 1014 C HIS A 68 0.110 14.375 -25.187 1.00 10.32 C ATOM 1015 O HIS A 68 0.503 14.981 -24.189 1.00 63.34 O ATOM 1016 CB HIS A 68 1.434 15.346 -27.074 1.00 62.10 C ATOM 1017 CG HIS A 68 1.820 14.469 -28.225 1.00 25.42 C ATOM 1018 ND1 HIS A 68 2.283 14.963 -29.426 1.00 2.10 N ATOM 1019 CD2 HIS A 68 1.812 13.121 -28.352 1.00 45.14 C ATOM 1020 CE1 HIS A 68 2.541 13.958 -30.243 1.00 63.13 C ATOM 1021 NE2 HIS A 68 2.265 12.829 -29.616 1.00 14.02 N ATOM 0 H HIS A 68 -0.353 16.982 -25.765 1.00 12.22 H new ATOM 0 HA HIS A 68 -0.495 14.415 -27.237 1.00 3.03 H new ATOM 0 HB2 HIS A 68 1.500 16.389 -27.384 1.00 62.10 H new ATOM 0 HB3 HIS A 68 2.152 15.208 -26.266 1.00 62.10 H new ATOM 0 HD2 HIS A 68 1.507 12.408 -27.600 1.00 45.14 H new ATOM 0 HE1 HIS A 68 2.914 14.045 -31.253 1.00 63.13 H new ATOM 0 HE2 HIS A 68 2.371 11.893 -30.006 1.00 14.02 H new ATOM 1029 N TYR A 69 -0.264 13.101 -25.159 1.00 2.03 N ATOM 1030 CA TYR A 69 -0.235 12.323 -23.926 1.00 0.11 C ATOM 1031 C TYR A 69 0.256 10.903 -24.189 1.00 62.12 C ATOM 1032 O TYR A 69 -0.361 10.152 -24.944 1.00 63.11 O ATOM 1033 CB TYR A 69 -1.626 12.284 -23.290 1.00 43.02 C ATOM 1034 CG TYR A 69 -2.722 11.894 -24.256 1.00 11.14 C ATOM 1035 CD1 TYR A 69 -3.287 12.832 -25.112 1.00 25.13 C ATOM 1036 CD2 TYR A 69 -3.194 10.589 -24.311 1.00 72.33 C ATOM 1037 CE1 TYR A 69 -4.289 12.481 -25.995 1.00 61.40 C ATOM 1038 CE2 TYR A 69 -4.195 10.228 -25.192 1.00 51.14 C ATOM 1039 CZ TYR A 69 -4.739 11.177 -26.032 1.00 14.50 C ATOM 1040 OH TYR A 69 -5.738 10.823 -26.910 1.00 63.51 O ATOM 0 H TYR A 69 -0.591 12.585 -25.976 1.00 2.03 H new ATOM 0 HA TYR A 69 0.459 12.806 -23.238 1.00 0.11 H new ATOM 0 HB2 TYR A 69 -1.617 11.578 -22.459 1.00 43.02 H new ATOM 0 HB3 TYR A 69 -1.853 13.265 -22.872 1.00 43.02 H new ATOM 0 HD1 TYR A 69 -2.936 13.853 -25.086 1.00 25.13 H new ATOM 0 HD2 TYR A 69 -2.771 9.844 -23.654 1.00 72.33 H new ATOM 0 HE1 TYR A 69 -4.718 13.223 -26.653 1.00 61.40 H new ATOM 0 HE2 TYR A 69 -4.550 9.208 -25.223 1.00 51.14 H new ATOM 0 HH TYR A 69 -5.465 10.027 -27.412 1.00 63.51 H new ATOM 1050 N GLN A 70 1.370 10.543 -23.560 1.00 63.11 N ATOM 1051 CA GLN A 70 1.945 9.213 -23.726 1.00 0.21 C ATOM 1052 C GLN A 70 2.420 9.000 -25.160 1.00 14.25 C ATOM 1053 O GLN A 70 3.600 9.165 -25.464 1.00 62.32 O ATOM 1054 CB GLN A 70 0.920 8.141 -23.351 1.00 3.23 C ATOM 1055 CG GLN A 70 1.150 7.535 -21.976 1.00 21.50 C ATOM 1056 CD GLN A 70 1.630 6.098 -22.045 1.00 11.12 C ATOM 1057 OE1 GLN A 70 1.196 5.327 -22.901 1.00 45.04 O ATOM 1058 NE2 GLN A 70 2.530 5.730 -21.140 1.00 41.45 N ATOM 0 H GLN A 70 1.892 11.153 -22.931 1.00 63.11 H new ATOM 0 HA GLN A 70 2.805 9.131 -23.062 1.00 0.21 H new ATOM 0 HB2 GLN A 70 -0.078 8.577 -23.384 1.00 3.23 H new ATOM 0 HB3 GLN A 70 0.946 7.348 -24.098 1.00 3.23 H new ATOM 0 HG2 GLN A 70 1.884 8.134 -21.437 1.00 21.50 H new ATOM 0 HG3 GLN A 70 0.223 7.577 -21.405 1.00 21.50 H new ATOM 0 HE21 GLN A 70 2.862 6.402 -20.448 1.00 41.45 H new ATOM 0 HE22 GLN A 70 2.889 4.775 -21.137 1.00 41.45 H new ATOM 1067 N GLY A 71 1.491 8.633 -26.037 1.00 33.50 N ATOM 1068 CA GLY A 71 1.834 8.402 -27.428 1.00 50.41 C ATOM 1069 C GLY A 71 0.721 8.806 -28.374 1.00 52.34 C ATOM 1070 O GLY A 71 0.758 8.484 -29.562 1.00 63.14 O ATOM 0 H GLY A 71 0.507 8.491 -25.809 1.00 33.50 H new ATOM 0 HA2 GLY A 71 2.737 8.961 -27.674 1.00 50.41 H new ATOM 0 HA3 GLY A 71 2.064 7.346 -27.572 1.00 50.41 H new ATOM 1074 N HIS A 72 -0.274 9.513 -27.848 1.00 33.12 N ATOM 1075 CA HIS A 72 -1.404 9.961 -28.654 1.00 74.51 C ATOM 1076 C HIS A 72 -1.391 11.478 -28.814 1.00 21.24 C ATOM 1077 O HIS A 72 -0.902 12.198 -27.944 1.00 23.32 O ATOM 1078 CB HIS A 72 -2.721 9.515 -28.017 1.00 61.20 C ATOM 1079 CG HIS A 72 -3.307 8.290 -28.648 1.00 72.34 C ATOM 1080 ND1 HIS A 72 -4.099 8.330 -29.777 1.00 10.04 N ATOM 1081 CD2 HIS A 72 -3.212 6.984 -28.304 1.00 2.20 C ATOM 1082 CE1 HIS A 72 -4.467 7.102 -30.098 1.00 3.52 C ATOM 1083 NE2 HIS A 72 -3.941 6.267 -29.220 1.00 72.01 N ATOM 0 H HIS A 72 -0.321 9.788 -26.867 1.00 33.12 H new ATOM 0 HA HIS A 72 -1.315 9.509 -29.642 1.00 74.51 H new ATOM 0 HB2 HIS A 72 -2.556 9.324 -26.957 1.00 61.20 H new ATOM 0 HB3 HIS A 72 -3.442 10.329 -28.085 1.00 61.20 H new ATOM 0 HD2 HIS A 72 -2.664 6.581 -27.465 1.00 2.20 H new ATOM 0 HE1 HIS A 72 -5.091 6.828 -30.935 1.00 3.52 H new ATOM 0 HE2 HIS A 72 -4.058 5.254 -29.222 1.00 72.01 H new ATOM 1091 N GLU A 73 -1.930 11.956 -29.931 1.00 34.43 N ATOM 1092 CA GLU A 73 -1.978 13.387 -30.204 1.00 12.23 C ATOM 1093 C GLU A 73 -3.314 13.777 -30.830 1.00 42.33 C ATOM 1094 O GLU A 73 -3.813 13.098 -31.728 1.00 11.53 O ATOM 1095 CB GLU A 73 -0.830 13.791 -31.131 1.00 60.41 C ATOM 1096 CG GLU A 73 -1.041 13.374 -32.577 1.00 44.52 C ATOM 1097 CD GLU A 73 0.241 13.408 -33.386 1.00 62.15 C ATOM 1098 OE1 GLU A 73 1.134 14.214 -33.052 1.00 23.35 O ATOM 1099 OE2 GLU A 73 0.351 12.627 -34.355 1.00 51.22 O ATOM 0 H GLU A 73 -2.339 11.373 -30.661 1.00 34.43 H new ATOM 0 HA GLU A 73 -1.873 13.915 -29.256 1.00 12.23 H new ATOM 0 HB2 GLU A 73 -0.703 14.873 -31.088 1.00 60.41 H new ATOM 0 HB3 GLU A 73 0.095 13.347 -30.765 1.00 60.41 H new ATOM 0 HG2 GLU A 73 -1.457 12.367 -32.604 1.00 44.52 H new ATOM 0 HG3 GLU A 73 -1.775 14.034 -33.038 1.00 44.52 H new ATOM 1106 N VAL A 74 -3.888 14.876 -30.350 1.00 44.01 N ATOM 1107 CA VAL A 74 -5.165 15.358 -30.862 1.00 63.14 C ATOM 1108 C VAL A 74 -5.121 16.859 -31.124 1.00 44.13 C ATOM 1109 O VAL A 74 -4.424 17.600 -30.431 1.00 42.33 O ATOM 1110 CB VAL A 74 -6.314 15.052 -29.883 1.00 43.22 C ATOM 1111 CG1 VAL A 74 -7.655 15.404 -30.508 1.00 34.05 C ATOM 1112 CG2 VAL A 74 -6.279 13.591 -29.462 1.00 32.04 C ATOM 0 H VAL A 74 -3.488 15.449 -29.607 1.00 44.01 H new ATOM 0 HA VAL A 74 -5.348 14.834 -31.800 1.00 63.14 H new ATOM 0 HB VAL A 74 -6.183 15.666 -28.992 1.00 43.22 H new ATOM 0 HG11 VAL A 74 -8.455 15.181 -29.802 1.00 34.05 H new ATOM 0 HG12 VAL A 74 -7.674 16.466 -30.755 1.00 34.05 H new ATOM 0 HG13 VAL A 74 -7.798 14.818 -31.416 1.00 34.05 H new ATOM 0 HG21 VAL A 74 -7.098 13.392 -28.770 1.00 32.04 H new ATOM 0 HG22 VAL A 74 -6.385 12.956 -30.342 1.00 32.04 H new ATOM 0 HG23 VAL A 74 -5.329 13.376 -28.972 1.00 32.04 H new ATOM 1122 N SER A 75 -5.870 17.301 -32.129 1.00 41.32 N ATOM 1123 CA SER A 75 -5.914 18.715 -32.485 1.00 72.44 C ATOM 1124 C SER A 75 -7.310 19.288 -32.260 1.00 2.21 C ATOM 1125 O SER A 75 -8.312 18.674 -32.625 1.00 35.23 O ATOM 1126 CB SER A 75 -5.501 18.907 -33.946 1.00 10.42 C ATOM 1127 OG SER A 75 -4.850 20.153 -34.132 1.00 34.54 O ATOM 0 H SER A 75 -6.454 16.701 -32.711 1.00 41.32 H new ATOM 0 HA SER A 75 -5.213 19.249 -31.843 1.00 72.44 H new ATOM 0 HB2 SER A 75 -4.837 18.097 -34.249 1.00 10.42 H new ATOM 0 HB3 SER A 75 -6.382 18.854 -34.586 1.00 10.42 H new ATOM 0 HG SER A 75 -4.594 20.251 -35.073 1.00 34.54 H new ATOM 1133 N PHE A 76 -7.366 20.471 -31.656 1.00 32.51 N ATOM 1134 CA PHE A 76 -8.638 21.128 -31.380 1.00 11.21 C ATOM 1135 C PHE A 76 -8.481 22.646 -31.400 1.00 73.11 C ATOM 1136 O PHE A 76 -7.424 23.176 -31.059 1.00 1.11 O ATOM 1137 CB PHE A 76 -9.185 20.679 -30.024 1.00 32.35 C ATOM 1138 CG PHE A 76 -10.321 19.701 -30.129 1.00 41.52 C ATOM 1139 CD1 PHE A 76 -11.608 20.141 -30.393 1.00 51.03 C ATOM 1140 CD2 PHE A 76 -10.101 18.343 -29.965 1.00 12.40 C ATOM 1141 CE1 PHE A 76 -12.655 19.244 -30.490 1.00 61.12 C ATOM 1142 CE2 PHE A 76 -11.144 17.441 -30.061 1.00 51.42 C ATOM 1143 CZ PHE A 76 -12.423 17.892 -30.325 1.00 45.42 C ATOM 0 H PHE A 76 -6.546 20.994 -31.349 1.00 32.51 H new ATOM 0 HA PHE A 76 -9.343 20.842 -32.161 1.00 11.21 H new ATOM 0 HB2 PHE A 76 -8.378 20.226 -29.448 1.00 32.35 H new ATOM 0 HB3 PHE A 76 -9.520 21.555 -29.469 1.00 32.35 H new ATOM 0 HD1 PHE A 76 -11.795 21.197 -30.524 1.00 51.03 H new ATOM 0 HD2 PHE A 76 -9.103 17.985 -29.760 1.00 12.40 H new ATOM 0 HE1 PHE A 76 -13.654 19.600 -30.695 1.00 61.12 H new ATOM 0 HE2 PHE A 76 -10.959 16.385 -29.930 1.00 51.42 H new ATOM 0 HZ PHE A 76 -13.240 17.189 -30.402 1.00 45.42 H new ATOM 1153 N ASP A 77 -9.541 23.339 -31.803 1.00 22.41 N ATOM 1154 CA ASP A 77 -9.522 24.795 -31.868 1.00 14.43 C ATOM 1155 C ASP A 77 -10.166 25.403 -30.625 1.00 75.24 C ATOM 1156 O ASP A 77 -11.043 24.797 -30.009 1.00 11.24 O ATOM 1157 CB ASP A 77 -10.249 25.281 -33.123 1.00 60.51 C ATOM 1158 CG ASP A 77 -9.309 25.480 -34.296 1.00 3.15 C ATOM 1159 OD1 ASP A 77 -8.757 26.592 -34.431 1.00 41.43 O ATOM 1160 OD2 ASP A 77 -9.124 24.524 -35.077 1.00 20.12 O ATOM 0 H ASP A 77 -10.424 22.915 -32.089 1.00 22.41 H new ATOM 0 HA ASP A 77 -8.482 25.118 -31.912 1.00 14.43 H new ATOM 0 HB2 ASP A 77 -11.018 24.559 -33.396 1.00 60.51 H new ATOM 0 HB3 ASP A 77 -10.757 26.220 -32.904 1.00 60.51 H new ATOM 1165 N VAL A 78 -9.725 26.603 -30.263 1.00 0.11 N ATOM 1166 CA VAL A 78 -10.258 27.293 -29.094 1.00 71.22 C ATOM 1167 C VAL A 78 -10.913 28.612 -29.486 1.00 53.43 C ATOM 1168 O VAL A 78 -10.400 29.346 -30.332 1.00 3.22 O ATOM 1169 CB VAL A 78 -9.156 27.569 -28.054 1.00 71.40 C ATOM 1170 CG1 VAL A 78 -8.160 28.587 -28.588 1.00 71.41 C ATOM 1171 CG2 VAL A 78 -9.767 28.044 -26.745 1.00 10.44 C ATOM 0 H VAL A 78 -9.000 27.118 -30.762 1.00 0.11 H new ATOM 0 HA VAL A 78 -11.007 26.636 -28.653 1.00 71.22 H new ATOM 0 HB VAL A 78 -8.620 26.639 -27.862 1.00 71.40 H new ATOM 0 HG11 VAL A 78 -7.389 28.769 -27.839 1.00 71.41 H new ATOM 0 HG12 VAL A 78 -7.699 28.202 -29.498 1.00 71.41 H new ATOM 0 HG13 VAL A 78 -8.677 29.520 -28.810 1.00 71.41 H new ATOM 0 HG21 VAL A 78 -8.974 28.234 -26.021 1.00 10.44 H new ATOM 0 HG22 VAL A 78 -10.329 28.962 -26.918 1.00 10.44 H new ATOM 0 HG23 VAL A 78 -10.436 27.277 -26.356 1.00 10.44 H new ATOM 1181 N LEU A 79 -12.050 28.909 -28.866 1.00 52.05 N ATOM 1182 CA LEU A 79 -12.777 30.142 -29.150 1.00 21.22 C ATOM 1183 C LEU A 79 -13.290 30.779 -27.863 1.00 15.23 C ATOM 1184 O LEU A 79 -13.976 30.135 -27.069 1.00 22.33 O ATOM 1185 CB LEU A 79 -13.946 29.862 -30.096 1.00 31.14 C ATOM 1186 CG LEU A 79 -14.206 30.916 -31.172 1.00 44.04 C ATOM 1187 CD1 LEU A 79 -13.440 30.581 -32.443 1.00 22.11 C ATOM 1188 CD2 LEU A 79 -15.696 31.029 -31.460 1.00 4.42 C ATOM 0 H LEU A 79 -12.488 28.313 -28.164 1.00 52.05 H new ATOM 0 HA LEU A 79 -12.089 30.839 -29.630 1.00 21.22 H new ATOM 0 HB2 LEU A 79 -13.768 28.906 -30.588 1.00 31.14 H new ATOM 0 HB3 LEU A 79 -14.851 29.750 -29.499 1.00 31.14 H new ATOM 0 HG LEU A 79 -13.854 31.879 -30.802 1.00 44.04 H new ATOM 0 HD11 LEU A 79 -13.637 31.342 -33.198 1.00 22.11 H new ATOM 0 HD12 LEU A 79 -12.372 30.552 -32.227 1.00 22.11 H new ATOM 0 HD13 LEU A 79 -13.761 29.608 -32.816 1.00 22.11 H new ATOM 0 HD21 LEU A 79 -15.862 31.784 -32.228 1.00 4.42 H new ATOM 0 HD22 LEU A 79 -16.073 30.068 -31.809 1.00 4.42 H new ATOM 0 HD23 LEU A 79 -16.222 31.316 -30.549 1.00 4.42 H new ATOM 1200 N VAL A 80 -12.956 32.050 -27.664 1.00 12.34 N ATOM 1201 CA VAL A 80 -13.386 32.777 -26.475 1.00 32.43 C ATOM 1202 C VAL A 80 -14.630 33.610 -26.760 1.00 13.30 C ATOM 1203 O VAL A 80 -14.721 34.276 -27.792 1.00 31.34 O ATOM 1204 CB VAL A 80 -12.272 33.701 -25.948 1.00 32.41 C ATOM 1205 CG1 VAL A 80 -11.967 34.797 -26.956 1.00 44.55 C ATOM 1206 CG2 VAL A 80 -12.665 34.295 -24.604 1.00 2.12 C ATOM 0 H VAL A 80 -12.389 32.598 -28.311 1.00 12.34 H new ATOM 0 HA VAL A 80 -13.618 32.031 -25.715 1.00 32.43 H new ATOM 0 HB VAL A 80 -11.368 33.109 -25.807 1.00 32.41 H new ATOM 0 HG11 VAL A 80 -11.178 35.440 -26.567 1.00 44.55 H new ATOM 0 HG12 VAL A 80 -11.640 34.348 -27.894 1.00 44.55 H new ATOM 0 HG13 VAL A 80 -12.865 35.390 -27.131 1.00 44.55 H new ATOM 0 HG21 VAL A 80 -11.867 34.945 -24.246 1.00 2.12 H new ATOM 0 HG22 VAL A 80 -13.582 34.874 -24.716 1.00 2.12 H new ATOM 0 HG23 VAL A 80 -12.829 33.492 -23.885 1.00 2.12 H new ATOM 1216 N SER A 81 -15.587 33.570 -25.838 1.00 73.34 N ATOM 1217 CA SER A 81 -16.829 34.319 -25.992 1.00 42.11 C ATOM 1218 C SER A 81 -16.982 35.351 -24.879 1.00 21.24 C ATOM 1219 O SER A 81 -16.351 35.263 -23.825 1.00 11.10 O ATOM 1220 CB SER A 81 -18.027 33.368 -25.990 1.00 30.12 C ATOM 1221 OG SER A 81 -18.616 33.286 -27.276 1.00 40.41 O ATOM 0 H SER A 81 -15.526 33.027 -24.977 1.00 73.34 H new ATOM 0 HA SER A 81 -16.792 34.843 -26.947 1.00 42.11 H new ATOM 0 HB2 SER A 81 -17.707 32.376 -25.669 1.00 30.12 H new ATOM 0 HB3 SER A 81 -18.768 33.713 -25.269 1.00 30.12 H new ATOM 0 HG SER A 81 -19.378 32.671 -27.248 1.00 40.41 H new ATOM 1227 N PRO A 82 -17.841 36.353 -25.116 1.00 44.43 N ATOM 1228 CA PRO A 82 -18.098 37.422 -24.146 1.00 72.21 C ATOM 1229 C PRO A 82 -18.865 36.924 -22.926 1.00 23.05 C ATOM 1230 O PRO A 82 -19.602 35.941 -23.001 1.00 30.23 O ATOM 1231 CB PRO A 82 -18.944 38.423 -24.937 1.00 61.11 C ATOM 1232 CG PRO A 82 -19.603 37.608 -25.996 1.00 51.41 C ATOM 1233 CD PRO A 82 -18.627 36.521 -26.350 1.00 44.11 C ATOM 0 HA PRO A 82 -17.174 37.844 -23.749 1.00 72.21 H new ATOM 0 HB2 PRO A 82 -19.680 38.912 -24.298 1.00 61.11 H new ATOM 0 HB3 PRO A 82 -18.325 39.209 -25.370 1.00 61.11 H new ATOM 0 HG2 PRO A 82 -20.542 37.187 -25.637 1.00 51.41 H new ATOM 0 HG3 PRO A 82 -19.840 38.219 -26.867 1.00 51.41 H new ATOM 0 HD2 PRO A 82 -19.137 35.599 -26.630 1.00 44.11 H new ATOM 0 HD3 PRO A 82 -17.997 36.806 -27.192 1.00 44.11 H new ATOM 1241 N LYS A 83 -18.687 37.609 -21.801 1.00 24.10 N ATOM 1242 CA LYS A 83 -19.363 37.238 -20.563 1.00 43.15 C ATOM 1243 C LYS A 83 -20.872 37.156 -20.771 1.00 44.03 C ATOM 1244 O LYS A 83 -21.449 37.948 -21.515 1.00 50.22 O ATOM 1245 CB LYS A 83 -19.043 38.250 -19.461 1.00 14.12 C ATOM 1246 CG LYS A 83 -19.852 38.042 -18.192 1.00 4.13 C ATOM 1247 CD LYS A 83 -19.020 38.316 -16.950 1.00 11.42 C ATOM 1248 CE LYS A 83 -19.687 39.344 -16.049 1.00 2.54 C ATOM 1249 NZ LYS A 83 -18.992 39.466 -14.737 1.00 34.51 N ATOM 0 H LYS A 83 -18.080 38.425 -21.721 1.00 24.10 H new ATOM 0 HA LYS A 83 -19.002 36.255 -20.261 1.00 43.15 H new ATOM 0 HB2 LYS A 83 -17.982 38.189 -19.220 1.00 14.12 H new ATOM 0 HB3 LYS A 83 -19.227 39.256 -19.838 1.00 14.12 H new ATOM 0 HG2 LYS A 83 -20.721 38.700 -18.201 1.00 4.13 H new ATOM 0 HG3 LYS A 83 -20.227 37.019 -18.162 1.00 4.13 H new ATOM 0 HD2 LYS A 83 -18.872 37.388 -16.398 1.00 11.42 H new ATOM 0 HD3 LYS A 83 -18.033 38.673 -17.243 1.00 11.42 H new ATOM 0 HE2 LYS A 83 -19.695 40.313 -16.547 1.00 2.54 H new ATOM 0 HE3 LYS A 83 -20.727 39.062 -15.884 1.00 2.54 H new ATOM 0 HZ1 LYS A 83 -19.477 40.176 -14.152 1.00 34.51 H new ATOM 0 HZ2 LYS A 83 -19.007 38.547 -14.250 1.00 34.51 H new ATOM 0 HZ3 LYS A 83 -18.006 39.760 -14.892 1.00 34.51 H new ATOM 1263 N ALA A 84 -21.504 36.194 -20.108 1.00 72.41 N ATOM 1264 CA ALA A 84 -22.946 36.011 -20.218 1.00 31.03 C ATOM 1265 C ALA A 84 -23.430 34.899 -19.294 1.00 34.23 C ATOM 1266 O ALA A 84 -22.630 34.145 -18.741 1.00 43.14 O ATOM 1267 CB ALA A 84 -23.332 35.708 -21.658 1.00 43.41 C ATOM 0 H ALA A 84 -21.040 35.529 -19.489 1.00 72.41 H new ATOM 0 HA ALA A 84 -23.429 36.939 -19.912 1.00 31.03 H new ATOM 0 HB1 ALA A 84 -24.412 35.574 -21.725 1.00 43.41 H new ATOM 0 HB2 ALA A 84 -23.029 36.537 -22.298 1.00 43.41 H new ATOM 0 HB3 ALA A 84 -22.832 34.796 -21.984 1.00 43.41 H new ATOM 1273 N ALA A 85 -24.746 34.803 -19.130 1.00 22.04 N ATOM 1274 CA ALA A 85 -25.336 33.782 -18.273 1.00 74.13 C ATOM 1275 C ALA A 85 -24.871 33.940 -16.830 1.00 20.32 C ATOM 1276 O ALA A 85 -24.067 34.819 -16.518 1.00 50.54 O ATOM 1277 CB ALA A 85 -24.992 32.394 -18.792 1.00 62.23 C ATOM 0 H ALA A 85 -25.423 35.420 -19.579 1.00 22.04 H new ATOM 0 HA ALA A 85 -26.419 33.907 -18.293 1.00 74.13 H new ATOM 0 HB1 ALA A 85 -25.439 31.642 -18.142 1.00 62.23 H new ATOM 0 HB2 ALA A 85 -25.381 32.277 -19.804 1.00 62.23 H new ATOM 0 HB3 ALA A 85 -23.909 32.267 -18.802 1.00 62.23 H new ATOM 1283 N LEU A 86 -25.381 33.083 -15.952 1.00 11.22 N ATOM 1284 CA LEU A 86 -25.018 33.128 -14.540 1.00 21.24 C ATOM 1285 C LEU A 86 -24.115 31.954 -14.172 1.00 52.51 C ATOM 1286 O LEU A 86 -24.401 30.808 -14.515 1.00 3.02 O ATOM 1287 CB LEU A 86 -26.275 33.111 -13.669 1.00 13.04 C ATOM 1288 CG LEU A 86 -27.287 34.228 -13.928 1.00 63.14 C ATOM 1289 CD1 LEU A 86 -28.587 33.954 -13.188 1.00 64.31 C ATOM 1290 CD2 LEU A 86 -26.711 35.575 -13.517 1.00 42.25 C ATOM 0 H LEU A 86 -26.047 32.349 -16.193 1.00 11.22 H new ATOM 0 HA LEU A 86 -24.471 34.054 -14.360 1.00 21.24 H new ATOM 0 HB2 LEU A 86 -26.777 32.154 -13.809 1.00 13.04 H new ATOM 0 HB3 LEU A 86 -25.969 33.160 -12.624 1.00 13.04 H new ATOM 0 HG LEU A 86 -27.501 34.257 -14.996 1.00 63.14 H new ATOM 0 HD11 LEU A 86 -29.294 34.760 -13.385 1.00 64.31 H new ATOM 0 HD12 LEU A 86 -29.009 33.009 -13.531 1.00 64.31 H new ATOM 0 HD13 LEU A 86 -28.391 33.897 -12.117 1.00 64.31 H new ATOM 0 HD21 LEU A 86 -27.445 36.358 -13.708 1.00 42.25 H new ATOM 0 HD22 LEU A 86 -26.467 35.558 -12.455 1.00 42.25 H new ATOM 0 HD23 LEU A 86 -25.808 35.776 -14.093 1.00 42.25 H new ATOM 1302 N ASN A 87 -23.026 32.250 -13.471 1.00 25.13 N ATOM 1303 CA ASN A 87 -22.081 31.219 -13.055 1.00 35.11 C ATOM 1304 C ASN A 87 -22.099 31.045 -11.539 1.00 44.13 C ATOM 1305 O ASN A 87 -22.219 32.018 -10.794 1.00 32.51 O ATOM 1306 CB ASN A 87 -20.669 31.573 -13.523 1.00 5.21 C ATOM 1307 CG ASN A 87 -20.633 32.009 -14.975 1.00 63.52 C ATOM 1308 OD1 ASN A 87 -20.748 33.195 -15.282 1.00 52.21 O ATOM 1309 ND2 ASN A 87 -20.472 31.047 -15.877 1.00 52.10 N ATOM 0 H ASN A 87 -22.775 33.195 -13.179 1.00 25.13 H new ATOM 0 HA ASN A 87 -22.383 30.278 -13.514 1.00 35.11 H new ATOM 0 HB2 ASN A 87 -20.271 32.372 -12.897 1.00 5.21 H new ATOM 0 HB3 ASN A 87 -20.018 30.709 -13.390 1.00 5.21 H new ATOM 0 HD21 ASN A 87 -20.440 31.279 -16.870 1.00 52.10 H new ATOM 0 HD22 ASN A 87 -20.381 30.076 -15.577 1.00 52.10 H new ATOM 1316 N ASP A 88 -21.976 29.801 -11.091 1.00 35.32 N ATOM 1317 CA ASP A 88 -21.976 29.499 -9.664 1.00 71.31 C ATOM 1318 C ASP A 88 -23.300 29.903 -9.023 1.00 21.33 C ATOM 1319 O ASP A 88 -24.128 30.562 -9.650 1.00 0.31 O ATOM 1320 CB ASP A 88 -20.818 30.217 -8.969 1.00 53.13 C ATOM 1321 CG ASP A 88 -19.509 30.063 -9.718 1.00 2.14 C ATOM 1322 OD1 ASP A 88 -19.372 29.083 -10.480 1.00 55.11 O ATOM 1323 OD2 ASP A 88 -18.621 30.923 -9.542 1.00 23.25 O ATOM 0 H ASP A 88 -21.875 28.985 -11.695 1.00 35.32 H new ATOM 0 HA ASP A 88 -21.849 28.423 -9.545 1.00 71.31 H new ATOM 0 HB2 ASP A 88 -21.056 31.276 -8.873 1.00 53.13 H new ATOM 0 HB3 ASP A 88 -20.704 29.823 -7.959 1.00 53.13 H new ATOM 1328 N GLU A 89 -23.492 29.501 -7.770 1.00 42.11 N ATOM 1329 CA GLU A 89 -24.716 29.820 -7.045 1.00 53.24 C ATOM 1330 C GLU A 89 -24.887 31.330 -6.904 1.00 71.01 C ATOM 1331 O GLU A 89 -23.912 32.080 -6.932 1.00 61.11 O ATOM 1332 CB GLU A 89 -24.702 29.166 -5.662 1.00 60.23 C ATOM 1333 CG GLU A 89 -23.426 29.426 -4.879 1.00 13.20 C ATOM 1334 CD GLU A 89 -22.430 28.288 -4.991 1.00 53.31 C ATOM 1335 OE1 GLU A 89 -22.548 27.319 -4.213 1.00 34.42 O ATOM 1336 OE2 GLU A 89 -21.533 28.367 -5.856 1.00 53.20 O ATOM 0 H GLU A 89 -22.816 28.954 -7.237 1.00 42.11 H new ATOM 0 HA GLU A 89 -25.558 29.428 -7.615 1.00 53.24 H new ATOM 0 HB2 GLU A 89 -25.552 29.533 -5.087 1.00 60.23 H new ATOM 0 HB3 GLU A 89 -24.835 28.090 -5.777 1.00 60.23 H new ATOM 0 HG2 GLU A 89 -22.964 30.345 -5.240 1.00 13.20 H new ATOM 0 HG3 GLU A 89 -23.674 29.585 -3.830 1.00 13.20 H new TER 1343 GLU A 89