USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ 165:sc= -0.0759 (180deg=-1.04) USER MOD Set 1.2: A 87 TYR OH : rot 120:sc= 0.666 USER MOD Single : A 1 ASP N :NH3+ 132:sc= 2.08 (180deg=0.729) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.27) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -126:sc= -0.0969 (180deg=-0.658) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00153) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0193 (180deg=-0.214) USER MOD Single : A 50 SER OG : rot 97:sc= 0.0901 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.739 K(o=-0.74,f=-5.4!) USER MOD Single : A 56 HIS : no HE2:sc= -0.464 X(o=-0.46,f=-0.44) USER MOD Single : A 58 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.18) USER MOD Single : A 60 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.33) USER MOD Single : A 62 SER OG : rot 70:sc= 0.405 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= -6.76! (180deg=-6.87!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.012) USER MOD Single : A 84 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 89 CYS SG : rot 104:sc= 1.94 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -172:sc= -0.624 USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= -5.48! (180deg=-12!) USER MOD Single : A 96 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.1) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 54:sc= -1.82 USER MOD Single : A 101 ASN : amide:sc= -3.52! K(o=-3.5!,f=-0.21) USER MOD Single : A 103 ASN : amide:sc= -0.69 K(o=-0.69,f=-2.8!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -0.942 X(o=-0.94,f=-1.4) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.324 -11.825 0.592 1.00 0.92 N ATOM 2 CA ASP A 1 -18.112 -10.595 -0.208 1.00 0.81 C ATOM 3 C ASP A 1 -19.356 -10.180 -0.983 1.00 0.80 C ATOM 4 O ASP A 1 -19.993 -10.977 -1.661 1.00 0.99 O ATOM 5 CB ASP A 1 -16.904 -10.716 -1.152 1.00 0.90 C ATOM 6 CG ASP A 1 -15.675 -11.286 -0.481 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.754 -12.413 0.045 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.631 -10.602 -0.474 1.00 1.93 O ATOM 0 H1 ASP A 1 -17.537 -12.485 0.428 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.366 -11.580 1.602 1.00 0.92 H new ATOM 0 H3 ASP A 1 -19.218 -12.274 0.308 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.896 -9.807 0.514 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -17.174 -11.349 -1.997 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.666 -9.731 -1.554 1.00 0.90 H new ATOM 13 N ASP A 2 -19.686 -8.913 -0.867 1.00 0.70 N ATOM 14 CA ASP A 2 -20.828 -8.333 -1.539 1.00 0.72 C ATOM 15 C ASP A 2 -20.334 -7.250 -2.503 1.00 0.70 C ATOM 16 O ASP A 2 -19.296 -6.644 -2.239 1.00 0.75 O ATOM 17 CB ASP A 2 -21.755 -7.792 -0.451 1.00 0.79 C ATOM 18 CG ASP A 2 -22.784 -6.797 -0.928 1.00 1.04 C ATOM 19 OD1 ASP A 2 -22.459 -5.601 -1.042 1.00 1.65 O ATOM 20 OD2 ASP A 2 -23.908 -7.232 -1.241 1.00 1.11 O ATOM 0 H ASP A 2 -19.163 -8.248 -0.297 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.382 -9.056 -2.138 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -22.271 -8.631 0.016 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.148 -7.322 0.322 1.00 0.79 H new ATOM 25 N PRO A 3 -21.031 -7.047 -3.645 1.00 0.71 N ATOM 26 CA PRO A 3 -20.620 -6.146 -4.739 1.00 0.72 C ATOM 27 C PRO A 3 -20.018 -4.809 -4.291 1.00 0.66 C ATOM 28 O PRO A 3 -20.730 -3.850 -3.988 1.00 0.97 O ATOM 29 CB PRO A 3 -21.915 -5.905 -5.533 1.00 0.84 C ATOM 30 CG PRO A 3 -22.988 -6.654 -4.809 1.00 0.94 C ATOM 31 CD PRO A 3 -22.293 -7.697 -3.983 1.00 0.81 C ATOM 0 HA PRO A 3 -19.815 -6.608 -5.311 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.149 -4.842 -5.585 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.816 -6.260 -6.559 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.571 -5.984 -4.178 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -23.682 -7.114 -5.512 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.866 -7.957 -3.093 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.137 -8.619 -4.543 1.00 0.81 H new ATOM 39 N ILE A 4 -18.691 -4.778 -4.243 1.00 0.45 N ATOM 40 CA ILE A 4 -17.931 -3.559 -3.995 1.00 0.41 C ATOM 41 C ILE A 4 -16.867 -3.405 -5.070 1.00 0.41 C ATOM 42 O ILE A 4 -16.863 -2.434 -5.824 1.00 0.50 O ATOM 43 CB ILE A 4 -17.261 -3.572 -2.593 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.177 -2.956 -1.534 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.922 -2.841 -2.586 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.318 -3.840 -1.134 1.00 0.46 C ATOM 0 H ILE A 4 -18.108 -5.604 -4.376 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.622 -2.717 -4.023 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.082 -4.620 -2.351 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.586 -2.719 -0.649 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.575 -2.015 -1.914 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.493 -2.877 -1.585 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.242 -3.321 -3.290 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.073 -1.802 -2.878 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.922 -3.335 -0.380 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.933 -4.057 -2.007 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.930 -4.772 -0.723 1.00 0.46 H new ATOM 58 N GLY A 5 -15.980 -4.387 -5.140 1.00 0.36 N ATOM 59 CA GLY A 5 -14.856 -4.299 -6.044 1.00 0.39 C ATOM 60 C GLY A 5 -13.739 -3.585 -5.350 1.00 0.33 C ATOM 61 O GLY A 5 -13.210 -2.589 -5.833 1.00 0.33 O ATOM 0 H GLY A 5 -16.020 -5.243 -4.586 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.536 -5.296 -6.348 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.141 -3.765 -6.951 1.00 0.39 H new ATOM 65 N LEU A 6 -13.401 -4.132 -4.200 1.00 0.32 N ATOM 66 CA LEU A 6 -12.575 -3.468 -3.214 1.00 0.29 C ATOM 67 C LEU A 6 -11.188 -3.192 -3.762 1.00 0.29 C ATOM 68 O LEU A 6 -10.566 -2.180 -3.440 1.00 0.33 O ATOM 69 CB LEU A 6 -12.514 -4.360 -1.980 1.00 0.29 C ATOM 70 CG LEU A 6 -12.259 -3.654 -0.659 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.204 -2.479 -0.459 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.402 -4.643 0.466 1.00 0.28 C ATOM 0 H LEU A 6 -13.698 -5.067 -3.920 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.006 -2.501 -2.953 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.455 -4.904 -1.903 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.729 -5.101 -2.130 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.245 -3.253 -0.670 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -12.991 -1.999 0.496 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.065 -1.759 -1.265 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.234 -2.835 -0.464 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.220 -4.142 1.417 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.411 -5.056 0.461 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.679 -5.448 0.336 1.00 0.28 H new ATOM 84 N PHE A 7 -10.727 -4.075 -4.622 1.00 0.30 N ATOM 85 CA PHE A 7 -9.438 -3.914 -5.239 1.00 0.32 C ATOM 86 C PHE A 7 -9.601 -3.309 -6.619 1.00 0.29 C ATOM 87 O PHE A 7 -9.696 -4.015 -7.621 1.00 0.32 O ATOM 88 CB PHE A 7 -8.721 -5.254 -5.308 1.00 0.41 C ATOM 89 CG PHE A 7 -7.396 -5.267 -4.604 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.207 -4.541 -3.437 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.343 -6.012 -5.101 1.00 0.64 C ATOM 92 CE1 PHE A 7 -5.993 -4.557 -2.786 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.128 -6.033 -4.454 1.00 0.72 C ATOM 94 CZ PHE A 7 -4.953 -5.304 -3.296 1.00 0.61 C ATOM 0 H PHE A 7 -11.232 -4.914 -4.907 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.831 -3.237 -4.638 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.361 -6.021 -4.873 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.569 -5.521 -6.354 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.021 -3.957 -3.034 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.475 -6.584 -6.007 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.857 -3.986 -1.879 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.313 -6.619 -4.852 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.000 -5.319 -2.788 1.00 0.61 H new ATOM 104 N VAL A 8 -9.677 -1.992 -6.641 1.00 0.28 N ATOM 105 CA VAL A 8 -9.818 -1.245 -7.878 1.00 0.34 C ATOM 106 C VAL A 8 -8.482 -1.206 -8.612 1.00 0.44 C ATOM 107 O VAL A 8 -8.404 -1.445 -9.817 1.00 0.63 O ATOM 108 CB VAL A 8 -10.302 0.190 -7.594 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.696 0.895 -8.884 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.459 0.173 -6.604 1.00 0.33 C ATOM 0 H VAL A 8 -9.643 -1.410 -5.804 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.560 -1.743 -8.503 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.480 0.749 -7.148 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.034 1.906 -8.657 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.835 0.941 -9.551 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.501 0.343 -9.369 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.790 1.194 -6.413 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.285 -0.405 -7.019 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.132 -0.283 -5.670 1.00 0.33 H new ATOM 120 N MET A 9 -7.432 -0.911 -7.864 1.00 0.43 N ATOM 121 CA MET A 9 -6.074 -0.957 -8.381 1.00 0.65 C ATOM 122 C MET A 9 -5.165 -1.533 -7.321 1.00 0.44 C ATOM 123 O MET A 9 -5.190 -1.098 -6.171 1.00 0.44 O ATOM 124 CB MET A 9 -5.573 0.422 -8.769 1.00 1.05 C ATOM 125 CG MET A 9 -4.199 0.419 -9.414 1.00 1.45 C ATOM 126 SD MET A 9 -3.580 2.082 -9.731 1.00 2.35 S ATOM 127 CE MET A 9 -1.956 1.710 -10.383 1.00 2.88 C ATOM 0 H MET A 9 -7.496 -0.634 -6.884 1.00 0.43 H new ATOM 0 HA MET A 9 -6.072 -1.580 -9.275 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.286 0.876 -9.458 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.544 1.051 -7.879 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.499 -0.108 -8.766 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.243 -0.134 -10.353 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.441 2.639 -10.629 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.380 1.163 -9.636 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.055 1.101 -11.281 1.00 2.88 H new ATOM 137 N ARG A 10 -4.370 -2.501 -7.706 1.00 0.47 N ATOM 138 CA ARG A 10 -3.488 -3.154 -6.774 1.00 0.41 C ATOM 139 C ARG A 10 -2.070 -2.647 -6.952 1.00 0.39 C ATOM 140 O ARG A 10 -1.547 -2.598 -8.068 1.00 0.45 O ATOM 141 CB ARG A 10 -3.537 -4.674 -6.937 1.00 0.46 C ATOM 142 CG ARG A 10 -2.984 -5.189 -8.260 1.00 0.97 C ATOM 143 CD ARG A 10 -3.069 -6.705 -8.349 1.00 1.34 C ATOM 144 NE ARG A 10 -2.400 -7.225 -9.547 1.00 2.11 N ATOM 145 CZ ARG A 10 -2.308 -8.519 -9.854 1.00 2.72 C ATOM 146 NH1 ARG A 10 -2.871 -9.436 -9.071 1.00 2.74 N ATOM 147 NH2 ARG A 10 -1.677 -8.896 -10.961 1.00 3.67 N ATOM 0 H ARG A 10 -4.317 -2.854 -8.662 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.824 -2.916 -5.765 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.977 -5.132 -6.122 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.571 -5.004 -6.838 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.539 -4.744 -9.085 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -1.946 -4.875 -8.368 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.616 -7.146 -7.461 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.116 -7.009 -8.358 1.00 1.34 H new ATOM 0 HE ARG A 10 -1.978 -6.552 -10.187 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.376 -9.150 -8.232 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -2.798 -10.425 -9.310 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -1.263 -8.195 -11.576 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -1.607 -9.886 -11.196 1.00 3.67 H new ATOM 161 N PRO A 11 -1.447 -2.227 -5.852 1.00 0.43 N ATOM 162 CA PRO A 11 -0.057 -1.808 -5.860 1.00 0.50 C ATOM 163 C PRO A 11 0.851 -2.963 -6.267 1.00 0.47 C ATOM 164 O PRO A 11 0.524 -4.135 -6.055 1.00 0.54 O ATOM 165 CB PRO A 11 0.218 -1.361 -4.421 1.00 0.62 C ATOM 166 CG PRO A 11 -0.914 -1.866 -3.604 1.00 0.64 C ATOM 167 CD PRO A 11 -2.067 -2.121 -4.530 1.00 0.53 C ATOM 0 HA PRO A 11 0.136 -1.010 -6.577 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.166 -1.764 -4.063 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.289 -0.275 -4.358 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.632 -2.781 -3.084 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.190 -1.138 -2.841 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.597 -3.035 -4.264 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.794 -1.309 -4.495 1.00 0.53 H new ATOM 175 N GLN A 12 1.970 -2.628 -6.873 1.00 0.44 N ATOM 176 CA GLN A 12 2.879 -3.615 -7.410 1.00 0.43 C ATOM 177 C GLN A 12 4.251 -3.463 -6.784 1.00 0.37 C ATOM 178 O GLN A 12 4.466 -2.538 -6.019 1.00 0.40 O ATOM 179 CB GLN A 12 2.941 -3.449 -8.914 1.00 0.55 C ATOM 180 CG GLN A 12 1.650 -3.867 -9.588 1.00 0.73 C ATOM 181 CD GLN A 12 1.440 -5.375 -9.542 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.805 -6.087 -10.475 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.892 -5.885 -8.442 1.00 1.32 N ATOM 0 H GLN A 12 2.274 -1.664 -7.007 1.00 0.44 H new ATOM 0 HA GLN A 12 2.523 -4.618 -7.176 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.154 -2.408 -9.155 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.765 -4.043 -9.310 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.811 -3.370 -9.102 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.660 -3.535 -10.626 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.599 -5.268 -7.685 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.765 -6.893 -8.356 1.00 1.32 H new ATOM 192 N ASP A 13 5.158 -4.381 -7.089 1.00 0.34 N ATOM 193 CA ASP A 13 6.441 -4.426 -6.509 1.00 0.33 C ATOM 194 C ASP A 13 7.314 -3.294 -6.987 1.00 0.36 C ATOM 195 O ASP A 13 6.866 -2.190 -7.305 1.00 0.50 O ATOM 196 CB ASP A 13 7.062 -5.753 -6.921 1.00 0.35 C ATOM 197 CG ASP A 13 7.121 -5.950 -8.427 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.061 -6.191 -9.044 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.231 -5.877 -8.995 1.00 2.06 O ATOM 0 H ASP A 13 4.991 -5.123 -7.768 1.00 0.34 H new ATOM 0 HA ASP A 13 6.358 -4.330 -5.426 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.071 -5.815 -6.514 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.489 -6.567 -6.478 1.00 0.35 H new ATOM 204 N GLY A 14 8.567 -3.612 -7.053 1.00 0.30 N ATOM 205 CA GLY A 14 9.554 -2.658 -7.453 1.00 0.30 C ATOM 206 C GLY A 14 10.932 -3.022 -6.988 1.00 0.25 C ATOM 207 O GLY A 14 11.165 -3.332 -5.824 1.00 0.28 O ATOM 0 H GLY A 14 8.935 -4.537 -6.832 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.552 -2.573 -8.540 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.288 -1.678 -7.056 1.00 0.30 H new ATOM 211 N GLU A 15 11.833 -2.983 -7.922 1.00 0.26 N ATOM 212 CA GLU A 15 13.234 -3.260 -7.670 1.00 0.25 C ATOM 213 C GLU A 15 14.038 -1.982 -7.871 1.00 0.23 C ATOM 214 O GLU A 15 14.232 -1.531 -8.999 1.00 0.30 O ATOM 215 CB GLU A 15 13.707 -4.364 -8.614 1.00 0.33 C ATOM 216 CG GLU A 15 12.862 -5.626 -8.514 1.00 0.69 C ATOM 217 CD GLU A 15 12.874 -6.442 -9.789 1.00 1.11 C ATOM 218 OE1 GLU A 15 12.333 -5.958 -10.809 1.00 1.53 O ATOM 219 OE2 GLU A 15 13.413 -7.569 -9.776 1.00 1.48 O ATOM 0 H GLU A 15 11.625 -2.757 -8.894 1.00 0.26 H new ATOM 0 HA GLU A 15 13.377 -3.601 -6.645 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.681 -3.995 -9.639 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.745 -4.608 -8.389 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.230 -6.240 -7.692 1.00 0.69 H new ATOM 0 HG3 GLU A 15 11.835 -5.352 -8.273 1.00 0.69 H new ATOM 226 N VAL A 16 14.508 -1.406 -6.774 1.00 0.20 N ATOM 227 CA VAL A 16 15.044 -0.106 -6.758 1.00 0.21 C ATOM 228 C VAL A 16 16.364 -0.179 -6.059 1.00 0.22 C ATOM 229 O VAL A 16 16.662 -1.147 -5.388 1.00 0.27 O ATOM 230 CB VAL A 16 14.112 0.866 -6.008 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.671 0.680 -6.460 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.236 0.720 -4.487 1.00 0.23 C ATOM 0 H VAL A 16 14.515 -1.864 -5.862 1.00 0.20 H new ATOM 0 HA VAL A 16 15.155 0.264 -7.777 1.00 0.21 H new ATOM 0 HB VAL A 16 14.425 1.880 -6.257 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.028 1.375 -5.920 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.597 0.875 -7.530 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.354 -0.343 -6.255 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.562 1.423 -3.998 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.972 -0.297 -4.196 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.262 0.930 -4.184 1.00 0.23 H new ATOM 242 N THR A 17 17.130 0.822 -6.237 1.00 0.23 N ATOM 243 CA THR A 17 18.441 0.909 -5.629 1.00 0.27 C ATOM 244 C THR A 17 18.354 1.712 -4.337 1.00 0.28 C ATOM 245 O THR A 17 17.430 2.514 -4.157 1.00 0.28 O ATOM 246 CB THR A 17 19.431 1.593 -6.581 1.00 0.35 C ATOM 247 OG1 THR A 17 18.984 1.423 -7.932 1.00 0.77 O ATOM 248 CG2 THR A 17 20.833 1.016 -6.436 1.00 0.56 C ATOM 0 H THR A 17 16.883 1.627 -6.813 1.00 0.23 H new ATOM 0 HA THR A 17 18.792 -0.101 -5.416 1.00 0.27 H new ATOM 0 HB THR A 17 19.472 2.652 -6.326 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.614 1.860 -8.542 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.508 1.523 -7.125 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.182 1.160 -5.413 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.814 -0.049 -6.666 1.00 0.56 H new ATOM 256 N VAL A 18 19.303 1.496 -3.441 1.00 0.31 N ATOM 257 CA VAL A 18 19.365 2.267 -2.223 1.00 0.35 C ATOM 258 C VAL A 18 19.734 3.674 -2.575 1.00 0.36 C ATOM 259 O VAL A 18 20.869 4.000 -2.924 1.00 0.39 O ATOM 260 CB VAL A 18 20.398 1.776 -1.213 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.234 2.495 0.114 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.325 0.278 -1.012 1.00 0.78 C ATOM 0 H VAL A 18 20.036 0.794 -3.539 1.00 0.31 H new ATOM 0 HA VAL A 18 18.384 2.173 -1.758 1.00 0.35 H new ATOM 0 HB VAL A 18 21.382 2.006 -1.621 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.980 2.130 0.820 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.368 3.567 -0.034 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.236 2.305 0.510 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.077 -0.029 -0.285 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.335 0.008 -0.645 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.510 -0.226 -1.961 1.00 0.78 H new ATOM 272 N GLY A 19 18.741 4.464 -2.513 1.00 0.38 N ATOM 273 CA GLY A 19 18.888 5.885 -2.710 1.00 0.45 C ATOM 274 C GLY A 19 18.007 6.418 -3.816 1.00 0.40 C ATOM 275 O GLY A 19 18.095 7.598 -4.166 1.00 0.48 O ATOM 0 H GLY A 19 17.785 4.162 -2.324 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.650 6.402 -1.781 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.929 6.109 -2.941 1.00 0.45 H new ATOM 279 N GLY A 20 17.156 5.572 -4.390 1.00 0.32 N ATOM 280 CA GLY A 20 16.221 6.056 -5.336 1.00 0.32 C ATOM 281 C GLY A 20 14.919 6.280 -4.678 1.00 0.30 C ATOM 282 O GLY A 20 14.802 6.978 -3.676 1.00 0.44 O ATOM 0 H GLY A 20 17.113 4.570 -4.205 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.582 6.986 -5.776 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.109 5.340 -6.151 1.00 0.32 H new ATOM 286 N SER A 21 13.963 5.666 -5.252 1.00 0.24 N ATOM 287 CA SER A 21 12.636 5.702 -4.796 1.00 0.22 C ATOM 288 C SER A 21 11.926 4.429 -5.153 1.00 0.22 C ATOM 289 O SER A 21 12.435 3.583 -5.882 1.00 0.25 O ATOM 290 CB SER A 21 11.936 6.866 -5.430 1.00 0.30 C ATOM 291 OG SER A 21 12.154 6.891 -6.832 1.00 0.82 O ATOM 0 H SER A 21 14.091 5.099 -6.090 1.00 0.24 H new ATOM 0 HA SER A 21 12.630 5.809 -3.711 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.867 6.806 -5.226 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.294 7.795 -4.987 1.00 0.30 H new ATOM 0 HG SER A 21 11.686 7.658 -7.222 1.00 0.82 H new ATOM 297 N ILE A 22 10.752 4.345 -4.627 1.00 0.22 N ATOM 298 CA ILE A 22 9.803 3.339 -4.911 1.00 0.24 C ATOM 299 C ILE A 22 8.445 3.962 -4.761 1.00 0.25 C ATOM 300 O ILE A 22 8.208 4.839 -3.931 1.00 0.27 O ATOM 301 CB ILE A 22 9.952 2.116 -4.014 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.966 1.024 -4.406 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.812 2.459 -2.544 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.190 0.464 -5.794 1.00 0.32 C ATOM 0 H ILE A 22 10.414 5.023 -3.944 1.00 0.22 H new ATOM 0 HA ILE A 22 9.956 2.969 -5.925 1.00 0.24 H new ATOM 0 HB ILE A 22 10.964 1.740 -4.163 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.032 0.212 -3.682 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.954 1.423 -4.345 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.926 1.554 -1.947 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.581 3.178 -2.263 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.828 2.891 -2.363 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.448 -0.308 -5.999 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.094 1.263 -6.529 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.189 0.033 -5.855 1.00 0.32 H new ATOM 316 N THR A 23 7.584 3.515 -5.566 1.00 0.25 N ATOM 317 CA THR A 23 6.279 4.123 -5.675 1.00 0.23 C ATOM 318 C THR A 23 5.212 3.072 -5.805 1.00 0.24 C ATOM 319 O THR A 23 5.297 2.159 -6.625 1.00 0.28 O ATOM 320 CB THR A 23 6.161 5.103 -6.857 1.00 0.26 C ATOM 321 OG1 THR A 23 7.320 5.951 -6.921 1.00 0.31 O ATOM 322 CG2 THR A 23 4.901 5.962 -6.709 1.00 0.24 C ATOM 0 H THR A 23 7.735 2.717 -6.183 1.00 0.25 H new ATOM 0 HA THR A 23 6.140 4.694 -4.757 1.00 0.23 H new ATOM 0 HB THR A 23 6.093 4.525 -7.779 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.233 6.568 -7.678 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.829 6.651 -7.551 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.022 5.318 -6.691 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.954 6.529 -5.780 1.00 0.24 H new ATOM 330 N PHE A 24 4.224 3.210 -4.972 1.00 0.24 N ATOM 331 CA PHE A 24 3.087 2.336 -4.982 1.00 0.27 C ATOM 332 C PHE A 24 1.809 3.148 -5.065 1.00 0.24 C ATOM 333 O PHE A 24 1.711 4.239 -4.516 1.00 0.30 O ATOM 334 CB PHE A 24 3.064 1.508 -3.712 1.00 0.40 C ATOM 335 CG PHE A 24 4.322 0.733 -3.456 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.780 -0.194 -4.369 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.046 0.932 -2.292 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.935 -0.911 -4.129 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.201 0.220 -2.049 1.00 0.51 C ATOM 340 CZ PHE A 24 6.646 -0.706 -2.969 1.00 0.49 C ATOM 0 H PHE A 24 4.183 3.939 -4.260 1.00 0.24 H new ATOM 0 HA PHE A 24 3.158 1.679 -5.849 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.880 2.169 -2.865 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.226 0.812 -3.761 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.228 -0.361 -5.282 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.701 1.654 -1.566 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.281 -1.634 -4.853 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.757 0.387 -1.138 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.549 -1.268 -2.780 1.00 0.49 H new ATOM 350 N SER A 25 0.844 2.605 -5.755 1.00 0.28 N ATOM 351 CA SER A 25 -0.475 3.178 -5.844 1.00 0.28 C ATOM 352 C SER A 25 -1.510 2.091 -5.611 1.00 0.27 C ATOM 353 O SER A 25 -1.548 1.078 -6.313 1.00 0.31 O ATOM 354 CB SER A 25 -0.711 3.816 -7.203 1.00 0.35 C ATOM 355 OG SER A 25 0.496 3.929 -7.945 1.00 0.58 O ATOM 0 H SER A 25 0.952 1.738 -6.281 1.00 0.28 H new ATOM 0 HA SER A 25 -0.563 3.954 -5.084 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.430 3.220 -7.765 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.151 4.804 -7.070 1.00 0.35 H new ATOM 0 HG SER A 25 0.308 4.341 -8.814 1.00 0.58 H new ATOM 361 N ALA A 26 -2.318 2.308 -4.615 1.00 0.26 N ATOM 362 CA ALA A 26 -3.353 1.359 -4.224 1.00 0.26 C ATOM 363 C ALA A 26 -4.718 2.031 -4.216 1.00 0.22 C ATOM 364 O ALA A 26 -4.954 2.977 -3.468 1.00 0.25 O ATOM 365 CB ALA A 26 -3.050 0.759 -2.856 1.00 0.32 C ATOM 0 H ALA A 26 -2.288 3.149 -4.039 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.366 0.552 -4.957 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.836 0.054 -2.586 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.093 0.239 -2.891 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.004 1.554 -2.112 1.00 0.32 H new ATOM 371 N ARG A 27 -5.609 1.549 -5.059 1.00 0.22 N ATOM 372 CA ARG A 27 -6.937 2.126 -5.172 1.00 0.25 C ATOM 373 C ARG A 27 -7.971 1.202 -4.560 1.00 0.23 C ATOM 374 O ARG A 27 -8.156 0.073 -5.022 1.00 0.31 O ATOM 375 CB ARG A 27 -7.285 2.394 -6.633 1.00 0.36 C ATOM 376 CG ARG A 27 -6.517 3.552 -7.237 1.00 0.28 C ATOM 377 CD ARG A 27 -6.845 3.722 -8.708 1.00 0.46 C ATOM 378 NE ARG A 27 -6.457 5.048 -9.200 1.00 1.22 N ATOM 379 CZ ARG A 27 -6.306 5.361 -10.490 1.00 1.55 C ATOM 380 NH1 ARG A 27 -6.425 4.430 -11.427 1.00 1.46 N ATOM 381 NH2 ARG A 27 -6.019 6.612 -10.840 1.00 2.43 N ATOM 0 H ARG A 27 -5.438 0.757 -5.678 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.942 3.072 -4.630 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.087 1.494 -7.216 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.353 2.597 -6.712 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.757 4.470 -6.700 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.447 3.383 -7.118 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.331 2.954 -9.287 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.914 3.575 -8.862 1.00 0.46 H new ATOM 0 HE ARG A 27 -6.291 5.781 -8.510 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.633 3.466 -11.165 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -6.308 4.678 -12.410 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -5.914 7.331 -10.124 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -5.903 6.852 -11.825 1.00 2.43 H new ATOM 395 N VAL A 28 -8.654 1.687 -3.534 1.00 0.19 N ATOM 396 CA VAL A 28 -9.633 0.901 -2.846 1.00 0.20 C ATOM 397 C VAL A 28 -10.984 1.545 -2.979 1.00 0.23 C ATOM 398 O VAL A 28 -11.172 2.734 -2.708 1.00 0.24 O ATOM 399 CB VAL A 28 -9.319 0.725 -1.358 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.267 -0.301 -0.747 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.867 0.328 -1.167 1.00 0.23 C ATOM 0 H VAL A 28 -8.537 2.631 -3.167 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.621 -0.087 -3.307 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.470 1.674 -0.843 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.039 -0.422 0.312 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.296 0.042 -0.860 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.145 -1.257 -1.256 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.660 0.207 -0.104 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.676 -0.613 -1.683 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.221 1.104 -1.576 1.00 0.23 H new ATOM 411 N ALA A 29 -11.892 0.742 -3.426 1.00 0.29 N ATOM 412 CA ALA A 29 -13.273 1.123 -3.595 1.00 0.32 C ATOM 413 C ALA A 29 -13.880 1.567 -2.281 1.00 0.34 C ATOM 414 O ALA A 29 -14.103 0.768 -1.376 1.00 0.40 O ATOM 415 CB ALA A 29 -14.074 -0.025 -4.175 1.00 0.38 C ATOM 0 H ALA A 29 -11.699 -0.223 -3.693 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.305 1.963 -4.289 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.113 0.281 -4.295 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.662 -0.302 -5.146 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.023 -0.881 -3.502 1.00 0.38 H new ATOM 421 N GLY A 30 -14.099 2.859 -2.197 1.00 0.35 N ATOM 422 CA GLY A 30 -14.798 3.449 -1.082 1.00 0.42 C ATOM 423 C GLY A 30 -16.116 2.762 -0.812 1.00 0.50 C ATOM 424 O GLY A 30 -16.397 2.362 0.317 1.00 0.76 O ATOM 0 H GLY A 30 -13.796 3.531 -2.902 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.172 3.394 -0.192 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.975 4.506 -1.283 1.00 0.42 H new ATOM 428 N ALA A 31 -16.901 2.621 -1.877 1.00 0.49 N ATOM 429 CA ALA A 31 -18.240 2.039 -1.822 1.00 0.55 C ATOM 430 C ALA A 31 -19.084 2.632 -0.697 1.00 0.64 C ATOM 431 O ALA A 31 -18.800 3.715 -0.184 1.00 0.71 O ATOM 432 CB ALA A 31 -18.147 0.532 -1.669 1.00 0.58 C ATOM 0 H ALA A 31 -16.622 2.911 -2.814 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.738 2.281 -2.761 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -19.150 0.108 -1.629 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.609 0.112 -2.519 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.615 0.292 -0.749 1.00 0.58 H new ATOM 438 N SER A 32 -20.139 1.926 -0.342 1.00 0.85 N ATOM 439 CA SER A 32 -20.972 2.312 0.771 1.00 0.96 C ATOM 440 C SER A 32 -21.109 1.121 1.713 1.00 1.01 C ATOM 441 O SER A 32 -22.024 0.306 1.578 1.00 1.69 O ATOM 442 CB SER A 32 -22.348 2.781 0.278 1.00 1.19 C ATOM 443 OG SER A 32 -23.069 3.445 1.305 1.00 1.74 O ATOM 0 H SER A 32 -20.439 1.074 -0.816 1.00 0.85 H new ATOM 0 HA SER A 32 -20.513 3.145 1.303 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.222 3.452 -0.572 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.921 1.924 -0.075 1.00 1.19 H new ATOM 0 HG SER A 32 -23.940 3.733 0.960 1.00 1.74 H new ATOM 449 N LEU A 33 -20.152 0.979 2.621 1.00 0.96 N ATOM 450 CA LEU A 33 -20.168 -0.121 3.565 1.00 0.93 C ATOM 451 C LEU A 33 -20.456 0.400 4.961 1.00 0.90 C ATOM 452 O LEU A 33 -20.725 1.586 5.140 1.00 0.98 O ATOM 453 CB LEU A 33 -18.859 -0.905 3.501 1.00 0.99 C ATOM 454 CG LEU A 33 -17.676 -0.233 3.993 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.055 -1.019 5.124 1.00 2.16 C ATOM 456 CD2 LEU A 33 -16.721 0.000 2.846 1.00 1.95 C ATOM 0 H LEU A 33 -19.359 1.612 2.720 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.966 -0.814 3.298 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.987 -1.828 4.067 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.683 -1.189 2.464 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.941 0.741 4.404 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.166 -0.500 5.483 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -17.773 -1.114 5.938 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.777 -2.011 4.768 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -15.828 0.506 3.213 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -16.440 -0.957 2.406 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -17.204 0.619 2.090 1.00 1.95 H new ATOM 468 N LEU A 34 -20.416 -0.487 5.940 1.00 0.87 N ATOM 469 CA LEU A 34 -20.686 -0.127 7.330 1.00 0.89 C ATOM 470 C LEU A 34 -19.759 0.996 7.809 1.00 0.84 C ATOM 471 O LEU A 34 -20.084 1.745 8.728 1.00 0.95 O ATOM 472 CB LEU A 34 -20.498 -1.351 8.218 1.00 1.01 C ATOM 473 CG LEU A 34 -21.068 -1.198 9.619 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.588 -1.187 9.584 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.555 -2.303 10.524 1.00 1.47 C ATOM 0 H LEU A 34 -20.197 -1.473 5.800 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.714 0.230 7.393 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.968 -2.210 7.738 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.433 -1.571 8.293 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.735 -0.243 10.024 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -22.974 -1.077 10.597 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -22.932 -0.353 8.972 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.949 -2.123 9.158 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -20.973 -2.178 11.523 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.856 -3.271 10.123 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.467 -2.254 10.577 1.00 1.47 H new ATOM 487 N LYS A 35 -18.614 1.095 7.157 1.00 0.76 N ATOM 488 CA LYS A 35 -17.547 2.003 7.536 1.00 0.76 C ATOM 489 C LYS A 35 -16.749 2.381 6.296 1.00 0.65 C ATOM 490 O LYS A 35 -17.122 2.020 5.201 1.00 0.75 O ATOM 491 CB LYS A 35 -16.674 1.374 8.645 1.00 0.90 C ATOM 492 CG LYS A 35 -16.561 -0.146 8.605 1.00 0.92 C ATOM 493 CD LYS A 35 -15.238 -0.611 8.024 1.00 0.90 C ATOM 494 CE LYS A 35 -14.959 -2.059 8.393 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.806 -2.245 9.863 1.00 1.40 N ATOM 0 H LYS A 35 -18.396 0.535 6.333 1.00 0.76 H new ATOM 0 HA LYS A 35 -17.961 2.920 7.955 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -15.672 1.798 8.579 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.081 1.666 9.613 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.671 -0.543 9.614 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.379 -0.553 8.011 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.256 -0.506 6.939 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.432 0.024 8.392 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.773 -2.688 8.032 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.051 -2.392 7.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.901 -2.718 10.061 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.822 -1.318 10.334 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.588 -2.829 10.222 1.00 1.40 H new ATOM 509 N PRO A 36 -15.716 3.195 6.413 1.00 0.65 N ATOM 510 CA PRO A 36 -14.753 3.348 5.344 1.00 0.56 C ATOM 511 C PRO A 36 -13.903 2.093 5.297 1.00 0.45 C ATOM 512 O PRO A 36 -13.612 1.521 6.349 1.00 0.47 O ATOM 513 CB PRO A 36 -13.903 4.557 5.765 1.00 0.61 C ATOM 514 CG PRO A 36 -14.556 5.102 6.993 1.00 0.88 C ATOM 515 CD PRO A 36 -15.350 3.970 7.577 1.00 0.88 C ATOM 0 HA PRO A 36 -15.201 3.495 4.361 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -12.874 4.261 5.968 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -13.869 5.306 4.974 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -13.812 5.463 7.703 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.201 5.946 6.750 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -14.760 3.385 8.282 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -16.227 4.328 8.116 1.00 0.88 H new ATOM 523 N PRO A 37 -13.528 1.608 4.110 1.00 0.40 N ATOM 524 CA PRO A 37 -12.715 0.409 4.013 1.00 0.35 C ATOM 525 C PRO A 37 -11.475 0.508 4.868 1.00 0.32 C ATOM 526 O PRO A 37 -10.778 1.525 4.873 1.00 0.36 O ATOM 527 CB PRO A 37 -12.303 0.321 2.559 1.00 0.40 C ATOM 528 CG PRO A 37 -13.210 1.248 1.805 1.00 0.53 C ATOM 529 CD PRO A 37 -13.846 2.186 2.797 1.00 0.47 C ATOM 0 HA PRO A 37 -13.273 -0.462 4.355 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.260 0.611 2.433 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.397 -0.700 2.190 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.647 1.808 1.058 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.974 0.683 1.271 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.446 3.195 2.701 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.923 2.254 2.644 1.00 0.47 H new ATOM 537 N VAL A 38 -11.195 -0.552 5.575 1.00 0.29 N ATOM 538 CA VAL A 38 -10.038 -0.580 6.410 1.00 0.27 C ATOM 539 C VAL A 38 -8.979 -1.275 5.642 1.00 0.22 C ATOM 540 O VAL A 38 -8.974 -2.491 5.485 1.00 0.20 O ATOM 541 CB VAL A 38 -10.215 -1.343 7.717 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.162 -0.921 8.732 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.611 -1.182 8.279 1.00 0.77 C ATOM 0 H VAL A 38 -11.755 -1.405 5.586 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.808 0.451 6.677 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.078 -2.403 7.501 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.306 -1.477 9.658 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.169 -1.129 8.334 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.256 0.146 8.932 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.695 -1.742 9.211 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.807 -0.127 8.470 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.338 -1.561 7.561 1.00 0.77 H new ATOM 553 N VAL A 39 -8.115 -0.486 5.161 1.00 0.22 N ATOM 554 CA VAL A 39 -6.995 -0.949 4.424 1.00 0.21 C ATOM 555 C VAL A 39 -5.776 -0.695 5.251 1.00 0.20 C ATOM 556 O VAL A 39 -5.419 0.448 5.537 1.00 0.23 O ATOM 557 CB VAL A 39 -6.797 -0.201 3.106 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.991 -1.042 2.130 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.122 0.248 2.508 1.00 0.24 C ATOM 0 H VAL A 39 -8.156 0.528 5.264 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.161 -2.003 4.199 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.228 0.705 3.315 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.861 -0.493 1.198 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.014 -1.263 2.561 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.519 -1.974 1.931 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.939 0.776 1.572 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.749 -0.623 2.317 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.629 0.913 3.206 1.00 0.24 H new ATOM 569 N LYS A 40 -5.164 -1.746 5.645 1.00 0.19 N ATOM 570 CA LYS A 40 -3.923 -1.670 6.313 1.00 0.20 C ATOM 571 C LYS A 40 -2.825 -2.052 5.383 1.00 0.19 C ATOM 572 O LYS A 40 -2.882 -3.037 4.642 1.00 0.21 O ATOM 573 CB LYS A 40 -3.893 -2.517 7.575 1.00 0.26 C ATOM 574 CG LYS A 40 -4.055 -4.015 7.347 1.00 0.31 C ATOM 575 CD LYS A 40 -2.705 -4.698 7.105 1.00 0.37 C ATOM 576 CE LYS A 40 -2.825 -6.203 6.923 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.176 -6.904 8.185 1.00 1.54 N ATOM 0 H LYS A 40 -5.515 -2.694 5.511 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.778 -0.638 6.632 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.948 -2.343 8.090 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.686 -2.178 8.241 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.541 -4.465 8.213 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.708 -4.185 6.491 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -2.239 -4.266 6.219 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.043 -4.491 7.946 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -3.584 -6.415 6.170 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.882 -6.596 6.543 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.229 -7.928 8.010 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.448 -6.712 8.903 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.097 -6.563 8.527 1.00 1.54 H new ATOM 591 N TRP A 41 -1.885 -1.191 5.385 1.00 0.18 N ATOM 592 CA TRP A 41 -0.658 -1.387 4.687 1.00 0.19 C ATOM 593 C TRP A 41 0.355 -2.111 5.528 1.00 0.21 C ATOM 594 O TRP A 41 0.329 -2.084 6.760 1.00 0.28 O ATOM 595 CB TRP A 41 -0.105 -0.054 4.274 1.00 0.21 C ATOM 596 CG TRP A 41 -0.871 0.553 3.171 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.985 1.328 3.272 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.602 0.389 1.789 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.370 1.737 2.012 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.545 1.149 1.088 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.369 -0.313 1.076 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.547 1.217 -0.294 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.362 -0.249 -0.297 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.591 0.515 -0.967 1.00 0.33 C ATOM 0 H TRP A 41 -1.939 -0.302 5.883 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.864 -2.002 3.811 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.110 0.620 5.131 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.935 -0.173 3.969 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.488 1.583 4.193 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.141 2.372 1.802 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.115 -0.898 1.594 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.282 1.807 -0.822 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.102 -0.796 -0.862 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.572 0.552 -2.046 1.00 0.33 H new ATOM 615 N PHE A 42 1.239 -2.749 4.823 1.00 0.21 N ATOM 616 CA PHE A 42 2.392 -3.373 5.384 1.00 0.23 C ATOM 617 C PHE A 42 3.521 -2.976 4.469 1.00 0.26 C ATOM 618 O PHE A 42 3.341 -2.918 3.260 1.00 0.34 O ATOM 619 CB PHE A 42 2.232 -4.896 5.440 1.00 0.26 C ATOM 620 CG PHE A 42 3.205 -5.574 6.363 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.959 -5.631 7.725 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.366 -6.151 5.873 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.849 -6.249 8.580 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.262 -6.770 6.726 1.00 0.50 C ATOM 625 CZ PHE A 42 5.003 -6.819 8.080 1.00 0.60 C ATOM 0 H PHE A 42 1.173 -2.851 3.810 1.00 0.21 H new ATOM 0 HA PHE A 42 2.567 -3.060 6.414 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.217 -5.134 5.758 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.354 -5.302 4.436 1.00 0.26 H new ATOM 0 HD1 PHE A 42 2.059 -5.186 8.123 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.573 -6.117 4.814 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.643 -6.287 9.639 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.164 -7.215 6.332 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.701 -7.302 8.747 1.00 0.60 H new ATOM 635 N LYS A 43 4.637 -2.643 5.034 1.00 0.28 N ATOM 636 CA LYS A 43 5.763 -2.167 4.280 1.00 0.31 C ATOM 637 C LYS A 43 6.733 -3.346 4.232 1.00 0.39 C ATOM 638 O LYS A 43 6.533 -4.231 5.027 1.00 0.81 O ATOM 639 CB LYS A 43 6.369 -0.926 4.974 1.00 0.40 C ATOM 640 CG LYS A 43 7.639 -0.394 4.343 1.00 0.54 C ATOM 641 CD LYS A 43 8.066 0.906 4.993 1.00 0.67 C ATOM 642 CE LYS A 43 9.285 1.481 4.308 1.00 1.29 C ATOM 643 NZ LYS A 43 9.007 1.860 2.897 1.00 2.17 N ATOM 0 H LYS A 43 4.799 -2.692 6.040 1.00 0.28 H new ATOM 0 HA LYS A 43 5.503 -1.846 3.271 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.623 -0.131 4.979 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.576 -1.175 6.015 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.435 -1.132 4.441 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.481 -0.236 3.276 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.247 1.624 4.949 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.284 0.735 6.047 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.629 2.357 4.857 1.00 1.29 H new ATOM 0 HE3 LYS A 43 10.093 0.750 4.334 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.771 2.472 2.545 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 8.953 1.002 2.311 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.103 2.371 2.847 1.00 2.17 H new ATOM 657 N GLY A 44 7.760 -3.298 3.355 1.00 0.64 N ATOM 658 CA GLY A 44 8.831 -4.329 3.169 1.00 0.92 C ATOM 659 C GLY A 44 8.982 -5.456 4.214 1.00 0.39 C ATOM 660 O GLY A 44 8.040 -5.906 4.786 1.00 1.23 O ATOM 0 H GLY A 44 7.880 -2.506 2.723 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.668 -4.800 2.200 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.785 -3.805 3.112 1.00 0.92 H new ATOM 664 N LYS A 45 10.106 -6.147 4.169 1.00 0.85 N ATOM 665 CA LYS A 45 10.291 -7.424 4.889 1.00 1.06 C ATOM 666 C LYS A 45 9.758 -7.483 6.351 1.00 0.74 C ATOM 667 O LYS A 45 9.710 -8.574 6.923 1.00 0.82 O ATOM 668 CB LYS A 45 11.788 -7.720 4.941 1.00 1.67 C ATOM 669 CG LYS A 45 12.230 -8.837 4.014 1.00 2.44 C ATOM 670 CD LYS A 45 13.734 -9.074 4.102 1.00 2.82 C ATOM 671 CE LYS A 45 14.158 -9.621 5.457 1.00 2.98 C ATOM 672 NZ LYS A 45 13.570 -10.955 5.724 1.00 3.87 N ATOM 0 H LYS A 45 10.924 -5.852 3.637 1.00 0.85 H new ATOM 0 HA LYS A 45 9.701 -8.151 4.331 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.336 -6.813 4.687 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.061 -7.981 5.963 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.700 -9.755 4.270 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.959 -8.588 2.988 1.00 2.44 H new ATOM 0 HD2 LYS A 45 14.035 -9.772 3.321 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.258 -8.138 3.911 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.245 -9.689 5.497 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.853 -8.927 6.240 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 14.047 -11.387 6.541 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 12.556 -10.852 5.930 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 13.694 -11.563 4.889 1.00 3.87 H new ATOM 686 N TRP A 46 9.361 -6.363 6.963 1.00 0.58 N ATOM 687 CA TRP A 46 8.933 -6.392 8.364 1.00 0.57 C ATOM 688 C TRP A 46 8.140 -5.167 8.816 1.00 0.63 C ATOM 689 O TRP A 46 7.572 -5.157 9.907 1.00 0.74 O ATOM 690 CB TRP A 46 10.157 -6.476 9.238 1.00 0.76 C ATOM 691 CG TRP A 46 11.264 -5.560 8.814 1.00 0.97 C ATOM 692 CD1 TRP A 46 12.172 -5.776 7.819 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.585 -4.289 9.383 1.00 1.27 C ATOM 694 NE1 TRP A 46 13.020 -4.707 7.711 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.686 -3.779 8.668 1.00 1.42 C ATOM 696 CE3 TRP A 46 11.043 -3.531 10.426 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.248 -2.539 8.959 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.605 -2.304 10.714 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.699 -1.822 9.985 1.00 2.11 C ATOM 0 H TRP A 46 9.327 -5.444 6.522 1.00 0.58 H new ATOM 0 HA TRP A 46 8.273 -7.255 8.454 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.876 -6.241 10.265 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.525 -7.502 9.235 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.215 -6.663 7.205 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.775 -4.614 7.032 1.00 1.38 H new ATOM 0 HE3 TRP A 46 10.202 -3.899 10.995 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.087 -2.158 8.395 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 11.195 -1.706 11.514 1.00 2.10 H new ATOM 0 HH2 TRP A 46 13.119 -0.860 10.240 1.00 2.11 H new ATOM 710 N VAL A 47 8.088 -4.164 7.983 1.00 0.63 N ATOM 711 CA VAL A 47 7.751 -2.853 8.382 1.00 0.74 C ATOM 712 C VAL A 47 6.267 -2.579 8.263 1.00 0.59 C ATOM 713 O VAL A 47 5.543 -3.153 7.459 1.00 0.57 O ATOM 714 CB VAL A 47 8.526 -1.812 7.552 1.00 0.90 C ATOM 715 CG1 VAL A 47 9.251 -0.866 8.469 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.519 -2.457 6.586 1.00 1.29 C ATOM 0 H VAL A 47 8.286 -4.253 6.986 1.00 0.63 H new ATOM 0 HA VAL A 47 8.029 -2.769 9.432 1.00 0.74 H new ATOM 0 HB VAL A 47 7.796 -1.268 6.953 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.797 -0.132 7.877 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.531 -0.354 9.107 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.951 -1.425 9.089 1.00 1.20 H new ATOM 0 HG21 VAL A 47 10.039 -1.680 6.026 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.244 -3.045 7.149 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.984 -3.107 5.894 1.00 1.29 H new ATOM 726 N ASP A 48 5.873 -1.700 9.113 1.00 0.60 N ATOM 727 CA ASP A 48 4.544 -1.121 9.153 1.00 0.56 C ATOM 728 C ASP A 48 4.633 0.317 8.739 1.00 0.58 C ATOM 729 O ASP A 48 5.387 1.086 9.316 1.00 0.96 O ATOM 730 CB ASP A 48 3.972 -1.153 10.552 1.00 0.73 C ATOM 731 CG ASP A 48 2.711 -0.315 10.684 1.00 1.88 C ATOM 732 OD1 ASP A 48 1.666 -0.738 10.146 1.00 2.73 O ATOM 733 OD2 ASP A 48 2.747 0.748 11.338 1.00 2.22 O ATOM 0 H ASP A 48 6.486 -1.336 9.843 1.00 0.60 H new ATOM 0 HA ASP A 48 3.904 -1.699 8.487 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.750 -2.184 10.827 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.721 -0.790 11.256 1.00 0.73 H new ATOM 738 N LEU A 49 3.838 0.684 7.788 1.00 0.39 N ATOM 739 CA LEU A 49 3.891 2.012 7.235 1.00 0.35 C ATOM 740 C LEU A 49 3.432 3.058 8.217 1.00 0.41 C ATOM 741 O LEU A 49 4.012 4.122 8.265 1.00 0.44 O ATOM 742 CB LEU A 49 3.048 2.125 5.973 1.00 0.29 C ATOM 743 CG LEU A 49 3.656 1.579 4.685 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.206 0.178 4.382 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.243 2.439 3.549 1.00 0.28 C ATOM 0 H LEU A 49 3.132 0.079 7.368 1.00 0.39 H new ATOM 0 HA LEU A 49 4.938 2.192 6.993 1.00 0.35 H new ATOM 0 HB2 LEU A 49 2.104 1.608 6.148 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.811 3.177 5.817 1.00 0.29 H new ATOM 0 HG LEU A 49 4.737 1.573 4.821 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.669 -0.160 3.455 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.500 -0.483 5.197 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.122 0.160 4.274 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.675 2.054 2.625 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.156 2.439 3.469 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.595 3.457 3.717 1.00 0.28 H new ATOM 757 N SER A 50 2.463 2.734 9.044 1.00 0.48 N ATOM 758 CA SER A 50 1.792 3.705 9.858 1.00 0.58 C ATOM 759 C SER A 50 2.803 4.400 10.747 1.00 0.62 C ATOM 760 O SER A 50 2.592 5.524 11.203 1.00 0.70 O ATOM 761 CB SER A 50 0.738 2.986 10.684 1.00 0.73 C ATOM 762 OG SER A 50 0.040 2.033 9.895 1.00 1.23 O ATOM 0 H SER A 50 2.121 1.781 9.166 1.00 0.48 H new ATOM 0 HA SER A 50 1.308 4.463 9.242 1.00 0.58 H new ATOM 0 HB2 SER A 50 1.211 2.487 11.530 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.034 3.711 11.094 1.00 0.73 H new ATOM 0 HG SER A 50 0.435 1.146 10.028 1.00 1.23 H new ATOM 768 N SER A 51 3.925 3.724 10.946 1.00 0.64 N ATOM 769 CA SER A 51 4.951 4.233 11.794 1.00 0.75 C ATOM 770 C SER A 51 5.982 5.034 11.001 1.00 0.72 C ATOM 771 O SER A 51 6.591 5.975 11.510 1.00 0.85 O ATOM 772 CB SER A 51 5.628 3.083 12.540 1.00 0.90 C ATOM 773 OG SER A 51 6.181 3.512 13.772 1.00 1.34 O ATOM 0 H SER A 51 4.133 2.820 10.522 1.00 0.64 H new ATOM 0 HA SER A 51 4.492 4.908 12.516 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.902 2.291 12.723 1.00 0.90 H new ATOM 0 HB3 SER A 51 6.414 2.657 11.917 1.00 0.90 H new ATOM 0 HG SER A 51 6.604 2.752 14.223 1.00 1.34 H new ATOM 779 N LYS A 52 6.153 4.657 9.744 1.00 0.62 N ATOM 780 CA LYS A 52 7.218 5.185 8.910 1.00 0.66 C ATOM 781 C LYS A 52 6.722 6.307 8.015 1.00 0.67 C ATOM 782 O LYS A 52 7.485 7.180 7.613 1.00 1.09 O ATOM 783 CB LYS A 52 7.778 4.068 8.035 1.00 0.65 C ATOM 784 CG LYS A 52 7.571 2.661 8.576 1.00 0.70 C ATOM 785 CD LYS A 52 8.091 2.464 10.005 1.00 0.78 C ATOM 786 CE LYS A 52 9.603 2.570 10.094 1.00 1.02 C ATOM 787 NZ LYS A 52 10.085 2.485 11.500 1.00 1.40 N ATOM 0 H LYS A 52 5.557 3.976 9.274 1.00 0.62 H new ATOM 0 HA LYS A 52 7.991 5.583 9.567 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.317 4.133 7.049 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.846 4.235 7.899 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.507 2.425 8.551 1.00 0.70 H new ATOM 0 HG3 LYS A 52 8.071 1.951 7.917 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.639 3.210 10.659 1.00 0.78 H new ATOM 0 HD3 LYS A 52 7.776 1.487 10.371 1.00 0.78 H new ATOM 0 HE2 LYS A 52 10.058 1.773 9.506 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.927 3.514 9.656 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 11.122 2.562 11.517 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 9.672 3.260 12.056 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 9.799 1.573 11.911 1.00 1.40 H new ATOM 801 N VAL A 53 5.459 6.189 7.665 1.00 0.34 N ATOM 802 CA VAL A 53 4.713 7.136 6.874 1.00 0.32 C ATOM 803 C VAL A 53 4.961 8.550 7.336 1.00 0.33 C ATOM 804 O VAL A 53 4.369 9.052 8.293 1.00 0.37 O ATOM 805 CB VAL A 53 3.210 6.783 6.913 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.323 7.888 6.367 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.960 5.532 6.120 1.00 0.35 C ATOM 0 H VAL A 53 4.897 5.384 7.942 1.00 0.34 H new ATOM 0 HA VAL A 53 5.055 7.075 5.841 1.00 0.32 H new ATOM 0 HB VAL A 53 2.954 6.641 7.963 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.280 7.578 6.422 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.464 8.793 6.958 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.588 8.087 5.329 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.898 5.288 6.151 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.266 5.690 5.086 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.534 4.710 6.547 1.00 0.35 H new ATOM 817 N GLY A 54 5.911 9.129 6.667 1.00 0.35 N ATOM 818 CA GLY A 54 6.280 10.504 6.912 1.00 0.41 C ATOM 819 C GLY A 54 7.035 11.148 5.764 1.00 0.44 C ATOM 820 O GLY A 54 6.430 11.582 4.791 1.00 0.70 O ATOM 0 H GLY A 54 6.455 8.670 5.937 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.378 11.083 7.112 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.895 10.551 7.811 1.00 0.41 H new ATOM 824 N GLN A 55 8.358 11.191 5.867 1.00 0.36 N ATOM 825 CA GLN A 55 9.173 11.988 4.949 1.00 0.43 C ATOM 826 C GLN A 55 9.634 11.183 3.732 1.00 0.39 C ATOM 827 O GLN A 55 9.624 11.683 2.607 1.00 0.50 O ATOM 828 CB GLN A 55 10.395 12.545 5.684 1.00 0.61 C ATOM 829 CG GLN A 55 10.065 13.271 6.984 1.00 1.43 C ATOM 830 CD GLN A 55 9.296 14.569 6.784 1.00 2.08 C ATOM 831 OE1 GLN A 55 8.545 14.733 5.825 1.00 2.75 O ATOM 832 NE2 GLN A 55 9.484 15.507 7.699 1.00 2.69 N ATOM 0 H GLN A 55 8.891 10.686 6.574 1.00 0.36 H new ATOM 0 HA GLN A 55 8.547 12.804 4.589 1.00 0.43 H new ATOM 0 HB2 GLN A 55 11.079 11.725 5.902 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.922 13.231 5.021 1.00 0.61 H new ATOM 0 HG2 GLN A 55 9.480 12.608 7.621 1.00 1.43 H new ATOM 0 HG3 GLN A 55 10.992 13.487 7.514 1.00 1.43 H new ATOM 0 HE21 GLN A 55 10.115 15.336 8.482 1.00 2.69 H new ATOM 0 HE22 GLN A 55 8.998 16.400 7.621 1.00 2.69 H new ATOM 841 N HIS A 56 10.055 9.942 3.952 1.00 0.36 N ATOM 842 CA HIS A 56 10.562 9.113 2.853 1.00 0.41 C ATOM 843 C HIS A 56 9.465 8.211 2.302 1.00 0.35 C ATOM 844 O HIS A 56 9.370 7.995 1.108 1.00 0.42 O ATOM 845 CB HIS A 56 11.777 8.286 3.310 1.00 0.54 C ATOM 846 CG HIS A 56 11.452 7.029 4.058 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.369 5.805 3.438 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.150 6.811 5.357 1.00 1.06 C ATOM 849 CE1 HIS A 56 11.014 4.891 4.319 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.878 5.472 5.497 1.00 1.33 N ATOM 0 H HIS A 56 10.058 9.489 4.866 1.00 0.36 H new ATOM 0 HA HIS A 56 10.886 9.775 2.050 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.368 8.024 2.432 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.405 8.913 3.942 1.00 0.54 H new ATOM 0 HD1 HIS A 56 11.553 5.631 2.450 1.00 0.87 H new ATOM 0 HD2 HIS A 56 11.127 7.553 6.141 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.860 3.842 4.112 1.00 1.11 H new ATOM 859 N LEU A 57 8.643 7.708 3.192 1.00 0.28 N ATOM 860 CA LEU A 57 7.470 6.937 2.835 1.00 0.25 C ATOM 861 C LEU A 57 6.284 7.744 3.282 1.00 0.23 C ATOM 862 O LEU A 57 6.013 7.844 4.459 1.00 0.29 O ATOM 863 CB LEU A 57 7.531 5.543 3.550 1.00 0.38 C ATOM 864 CG LEU A 57 6.290 4.610 3.633 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.929 4.374 5.078 1.00 1.11 C ATOM 866 CD2 LEU A 57 5.082 5.110 2.855 1.00 1.10 C ATOM 0 H LEU A 57 8.769 7.823 4.198 1.00 0.28 H new ATOM 0 HA LEU A 57 7.406 6.744 1.764 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.322 4.973 3.063 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.856 5.728 4.574 1.00 0.38 H new ATOM 0 HG LEU A 57 6.576 3.673 3.155 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.059 3.720 5.133 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.769 3.905 5.591 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.698 5.326 5.556 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.260 4.402 2.965 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.777 6.083 3.242 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.342 5.204 1.801 1.00 1.10 H new ATOM 878 N GLN A 58 5.610 8.333 2.334 1.00 0.20 N ATOM 879 CA GLN A 58 4.319 8.862 2.561 1.00 0.21 C ATOM 880 C GLN A 58 3.342 7.861 2.026 1.00 0.18 C ATOM 881 O GLN A 58 3.298 7.579 0.831 1.00 0.19 O ATOM 882 CB GLN A 58 4.125 10.184 1.824 1.00 0.27 C ATOM 883 CG GLN A 58 5.224 11.199 2.052 1.00 0.46 C ATOM 884 CD GLN A 58 6.333 11.135 1.028 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.257 11.770 -0.023 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.382 10.402 1.340 1.00 0.28 N ATOM 0 H GLN A 58 5.954 8.454 1.381 1.00 0.20 H new ATOM 0 HA GLN A 58 4.177 9.049 3.625 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.051 9.982 0.755 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.175 10.621 2.132 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.790 12.199 2.043 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.648 11.045 3.044 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.403 9.891 2.223 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.173 10.345 0.699 1.00 0.28 H new ATOM 895 N LEU A 59 2.580 7.337 2.916 1.00 0.20 N ATOM 896 CA LEU A 59 1.454 6.521 2.574 1.00 0.20 C ATOM 897 C LEU A 59 0.276 7.473 2.630 1.00 0.21 C ATOM 898 O LEU A 59 -0.301 7.726 3.686 1.00 0.23 O ATOM 899 CB LEU A 59 1.328 5.347 3.582 1.00 0.23 C ATOM 900 CG LEU A 59 0.375 4.192 3.271 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.127 3.453 4.566 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.914 4.668 2.636 1.00 0.23 C ATOM 0 H LEU A 59 2.716 7.460 3.919 1.00 0.20 H new ATOM 0 HA LEU A 59 1.530 6.052 1.593 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.323 4.923 3.717 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.029 5.770 4.541 1.00 0.23 H new ATOM 0 HG LEU A 59 0.826 3.525 2.536 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.551 2.619 4.385 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.072 3.075 4.956 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.319 4.132 5.293 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.558 3.812 2.434 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.423 5.352 3.315 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.691 5.183 1.702 1.00 0.23 H new ATOM 914 N HIS A 60 -0.015 8.042 1.484 1.00 0.22 N ATOM 915 CA HIS A 60 -1.040 9.008 1.332 1.00 0.25 C ATOM 916 C HIS A 60 -2.315 8.345 0.962 1.00 0.24 C ATOM 917 O HIS A 60 -2.361 7.200 0.540 1.00 0.26 O ATOM 918 CB HIS A 60 -0.706 10.049 0.271 1.00 0.37 C ATOM 919 CG HIS A 60 0.260 11.107 0.694 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.183 11.766 1.900 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.306 11.650 0.037 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.138 12.675 1.963 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.837 12.630 0.842 1.00 2.03 N ATOM 0 H HIS A 60 0.477 7.829 0.616 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.136 9.517 2.291 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.299 9.537 -0.601 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.631 10.531 -0.045 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.661 11.366 -0.943 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.318 13.344 2.792 1.00 1.91 H new ATOM 0 HE2 HIS A 60 2.635 13.222 0.613 1.00 2.03 H new ATOM 932 N ASP A 61 -3.322 9.101 1.153 1.00 0.29 N ATOM 933 CA ASP A 61 -4.661 8.719 0.885 1.00 0.32 C ATOM 934 C ASP A 61 -5.363 9.814 0.145 1.00 0.35 C ATOM 935 O ASP A 61 -5.523 10.939 0.624 1.00 0.48 O ATOM 936 CB ASP A 61 -5.434 8.404 2.145 1.00 0.44 C ATOM 937 CG ASP A 61 -5.384 9.508 3.193 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.295 9.736 3.766 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.426 10.146 3.465 1.00 0.92 O ATOM 0 H ASP A 61 -3.238 10.050 1.518 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.620 7.813 0.281 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.475 8.213 1.883 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.041 7.485 2.580 1.00 0.44 H new ATOM 944 N SER A 62 -5.721 9.476 -1.038 1.00 0.29 N ATOM 945 CA SER A 62 -6.607 10.287 -1.829 1.00 0.32 C ATOM 946 C SER A 62 -8.011 9.800 -1.578 1.00 0.32 C ATOM 947 O SER A 62 -8.231 8.618 -1.328 1.00 0.41 O ATOM 948 CB SER A 62 -6.282 10.205 -3.318 1.00 0.40 C ATOM 949 OG SER A 62 -4.883 10.099 -3.531 1.00 0.47 O ATOM 0 H SER A 62 -5.411 8.622 -1.501 1.00 0.29 H new ATOM 0 HA SER A 62 -6.493 11.332 -1.541 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.786 9.344 -3.756 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.664 11.090 -3.826 1.00 0.40 H new ATOM 0 HG SER A 62 -4.573 9.217 -3.236 1.00 0.47 H new ATOM 955 N TYR A 63 -8.949 10.696 -1.632 1.00 0.38 N ATOM 956 CA TYR A 63 -10.306 10.355 -1.332 1.00 0.45 C ATOM 957 C TYR A 63 -11.251 11.085 -2.238 1.00 0.47 C ATOM 958 O TYR A 63 -11.553 12.267 -2.059 1.00 0.54 O ATOM 959 CB TYR A 63 -10.600 10.608 0.137 1.00 0.64 C ATOM 960 CG TYR A 63 -12.060 10.811 0.484 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.023 9.859 0.168 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.468 11.968 1.132 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.352 10.059 0.491 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.789 12.174 1.459 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.728 11.219 1.137 1.00 1.07 C ATOM 966 OH TYR A 63 -16.048 11.430 1.457 1.00 1.39 O ATOM 0 H TYR A 63 -8.798 11.673 -1.882 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.454 9.291 -1.514 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.221 9.766 0.716 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.043 11.490 0.454 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.728 8.951 -0.337 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.736 12.721 1.384 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.091 9.313 0.240 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.088 13.080 1.966 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.141 12.294 1.909 1.00 1.39 H new ATOM 976 N ASP A 64 -11.656 10.368 -3.249 1.00 0.47 N ATOM 977 CA ASP A 64 -12.639 10.832 -4.172 1.00 0.57 C ATOM 978 C ASP A 64 -13.900 9.997 -4.088 1.00 0.57 C ATOM 979 O ASP A 64 -13.901 8.802 -4.371 1.00 0.63 O ATOM 980 CB ASP A 64 -12.077 10.810 -5.576 1.00 0.71 C ATOM 981 CG ASP A 64 -11.004 9.756 -5.801 1.00 1.53 C ATOM 982 OD1 ASP A 64 -11.363 8.579 -6.032 1.00 2.42 O ATOM 983 OD2 ASP A 64 -9.809 10.103 -5.733 1.00 2.00 O ATOM 0 H ASP A 64 -11.304 9.433 -3.453 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.902 11.857 -3.912 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.892 10.639 -6.279 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.660 11.791 -5.804 1.00 0.71 H new ATOM 988 N ARG A 65 -14.966 10.626 -3.659 1.00 0.60 N ATOM 989 CA ARG A 65 -16.259 9.977 -3.613 1.00 0.64 C ATOM 990 C ARG A 65 -16.826 9.805 -5.014 1.00 0.74 C ATOM 991 O ARG A 65 -17.515 8.825 -5.299 1.00 0.88 O ATOM 992 CB ARG A 65 -17.237 10.781 -2.763 1.00 0.74 C ATOM 993 CG ARG A 65 -17.954 9.929 -1.747 1.00 0.86 C ATOM 994 CD ARG A 65 -18.637 8.754 -2.421 1.00 1.00 C ATOM 995 NE ARG A 65 -20.082 8.903 -2.523 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.796 8.517 -3.582 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.192 8.111 -4.697 1.00 2.46 N ATOM 998 NH2 ARG A 65 -22.115 8.561 -3.543 1.00 2.07 N ATOM 0 H ARG A 65 -14.966 11.593 -3.334 1.00 0.60 H new ATOM 0 HA ARG A 65 -16.121 8.994 -3.162 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.698 11.577 -2.249 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.970 11.260 -3.413 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -17.245 9.566 -1.003 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.692 10.530 -1.217 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.221 8.627 -3.421 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.412 7.845 -1.864 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.577 9.327 -1.739 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.173 8.093 -4.748 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.748 7.818 -5.500 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.590 8.890 -2.702 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.659 8.266 -4.353 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.514 10.759 -5.869 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.981 10.765 -7.249 1.00 0.93 C ATOM 1014 C ALA A 66 -16.431 9.579 -8.023 1.00 0.83 C ATOM 1015 O ALA A 66 -17.064 9.084 -8.957 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.602 12.070 -7.929 1.00 1.15 C ATOM 0 H ALA A 66 -15.927 11.558 -5.629 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.068 10.679 -7.238 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.957 12.060 -8.959 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.058 12.904 -7.396 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.518 12.183 -7.920 1.00 1.15 H new ATOM 1022 N SER A 67 -15.263 9.123 -7.617 1.00 0.72 N ATOM 1023 CA SER A 67 -14.653 7.954 -8.215 1.00 0.72 C ATOM 1024 C SER A 67 -14.897 6.772 -7.298 1.00 0.58 C ATOM 1025 O SER A 67 -14.803 5.616 -7.702 1.00 0.63 O ATOM 1026 CB SER A 67 -13.153 8.171 -8.411 1.00 0.83 C ATOM 1027 OG SER A 67 -12.896 9.389 -9.089 1.00 1.41 O ATOM 0 H SER A 67 -14.714 9.548 -6.870 1.00 0.72 H new ATOM 0 HA SER A 67 -15.093 7.767 -9.195 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.654 8.179 -7.442 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.734 7.340 -8.979 1.00 0.83 H new ATOM 0 HG SER A 67 -11.929 9.504 -9.200 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.229 7.106 -6.048 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.496 6.127 -5.017 1.00 0.50 C ATOM 1035 C LYS A 68 -14.242 5.329 -4.733 1.00 0.44 C ATOM 1036 O LYS A 68 -14.291 4.140 -4.447 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.622 5.211 -5.445 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.230 4.440 -4.299 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.167 5.299 -3.457 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.583 5.644 -2.084 1.00 2.27 C ATOM 1041 NZ LYS A 68 -16.256 6.323 -2.162 1.00 3.31 N ATOM 0 H LYS A 68 -15.318 8.072 -5.732 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.800 6.641 -4.105 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.399 5.803 -5.929 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.247 4.508 -6.189 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.779 3.584 -4.691 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.435 4.046 -3.666 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.389 6.221 -3.995 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -19.112 4.773 -3.323 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -18.282 6.288 -1.551 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.482 4.730 -1.499 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -15.930 6.560 -1.203 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -15.567 5.688 -2.614 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -16.344 7.194 -2.723 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.125 6.007 -4.775 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.861 5.392 -4.527 1.00 0.31 C ATOM 1057 C VAL A 69 -11.125 6.154 -3.452 1.00 0.29 C ATOM 1058 O VAL A 69 -11.182 7.379 -3.377 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.966 5.359 -5.782 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.727 4.520 -5.536 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.722 4.847 -6.998 1.00 0.43 C ATOM 0 H VAL A 69 -13.073 7.004 -4.983 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.066 4.367 -4.218 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.659 6.384 -5.990 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.110 4.510 -6.434 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.158 4.945 -4.709 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.021 3.500 -5.287 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.058 4.838 -7.862 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.079 3.836 -6.805 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.571 5.500 -7.200 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.503 5.407 -2.595 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.465 5.928 -1.750 1.00 0.25 C ATOM 1073 C TYR A 70 -8.171 5.472 -2.342 1.00 0.22 C ATOM 1074 O TYR A 70 -7.836 4.284 -2.318 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.523 5.431 -0.321 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.830 5.676 0.390 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.859 4.751 0.340 1.00 1.09 C ATOM 1078 CD2 TYR A 70 -11.027 6.837 1.127 1.00 0.97 C ATOM 1079 CE1 TYR A 70 -13.047 4.978 0.998 1.00 1.24 C ATOM 1080 CE2 TYR A 70 -12.216 7.068 1.789 1.00 0.99 C ATOM 1081 CZ TYR A 70 -13.222 6.134 1.720 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.412 6.359 2.369 1.00 0.93 O ATOM 0 H TYR A 70 -10.698 4.415 -2.458 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.579 7.011 -1.706 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.320 4.360 -0.317 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.724 5.909 0.246 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.728 3.839 -0.223 1.00 1.09 H new ATOM 0 HD2 TYR A 70 -10.237 7.571 1.183 1.00 0.97 H new ATOM 0 HE1 TYR A 70 -13.841 4.248 0.947 1.00 1.24 H new ATOM 0 HE2 TYR A 70 -12.355 7.976 2.357 1.00 0.99 H new ATOM 0 HH TYR A 70 -14.373 7.221 2.834 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.466 6.394 -2.894 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.207 6.081 -3.500 1.00 0.19 C ATOM 1094 C LEU A 71 -5.116 6.322 -2.500 1.00 0.20 C ATOM 1095 O LEU A 71 -4.713 7.443 -2.228 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.953 6.885 -4.779 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.514 6.809 -5.318 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -4.018 5.372 -5.394 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.418 7.464 -6.684 1.00 0.52 C ATOM 0 H LEU A 71 -7.735 7.377 -2.942 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.223 5.032 -3.796 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.634 6.533 -5.553 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.199 7.930 -4.589 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.877 7.350 -4.618 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.998 5.359 -5.779 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.036 4.928 -4.399 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.664 4.799 -6.059 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.392 7.399 -7.047 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -5.082 6.952 -7.380 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.710 8.511 -6.607 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.638 5.243 -1.985 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.517 5.261 -1.117 1.00 0.21 C ATOM 1113 C PHE A 72 -2.283 5.158 -1.966 1.00 0.23 C ATOM 1114 O PHE A 72 -2.031 4.156 -2.634 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.581 4.120 -0.134 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.741 4.180 0.823 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.667 4.944 1.980 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -5.909 3.479 0.562 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.736 5.006 2.855 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -6.980 3.540 1.432 1.00 0.30 C ATOM 1121 CZ PHE A 72 -6.876 4.278 2.602 1.00 0.30 C ATOM 0 H PHE A 72 -5.020 4.313 -2.158 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.505 6.184 -0.538 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.633 3.183 -0.688 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.655 4.100 0.440 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.765 5.496 2.199 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -5.982 2.878 -0.332 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.676 5.626 3.737 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.895 3.015 1.202 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.689 4.281 3.313 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.545 6.210 -1.941 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.377 6.342 -2.765 1.00 0.26 C ATOM 1133 C GLU A 73 0.844 6.409 -1.908 1.00 0.20 C ATOM 1134 O GLU A 73 0.973 7.236 -1.005 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.435 7.562 -3.672 1.00 0.42 C ATOM 1136 CG GLU A 73 -0.806 8.846 -2.943 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.648 10.084 -3.795 1.00 0.75 C ATOM 1138 OE1 GLU A 73 0.495 10.410 -4.173 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -1.664 10.748 -4.078 1.00 1.32 O ATOM 0 H GLU A 73 -1.729 7.017 -1.345 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.337 5.463 -3.408 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.535 7.694 -4.152 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.161 7.381 -4.464 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.839 8.777 -2.603 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -0.183 8.944 -2.054 1.00 0.59 H new ATOM 1146 N LEU A 74 1.724 5.517 -2.201 1.00 0.21 N ATOM 1147 CA LEU A 74 2.975 5.435 -1.534 1.00 0.21 C ATOM 1148 C LEU A 74 3.949 6.271 -2.268 1.00 0.20 C ATOM 1149 O LEU A 74 4.229 6.056 -3.447 1.00 0.25 O ATOM 1150 CB LEU A 74 3.519 4.021 -1.508 1.00 0.27 C ATOM 1151 CG LEU A 74 2.696 3.024 -0.706 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.630 3.488 0.714 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.295 2.880 -1.265 1.00 0.96 C ATOM 0 H LEU A 74 1.592 4.811 -2.925 1.00 0.21 H new ATOM 0 HA LEU A 74 2.827 5.770 -0.507 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.598 3.661 -2.534 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.529 4.045 -1.100 1.00 0.27 H new ATOM 0 HG LEU A 74 3.176 2.047 -0.766 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.042 2.782 1.301 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.638 3.550 1.124 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.161 4.471 0.754 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.737 2.160 -0.667 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.790 3.846 -1.235 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.349 2.531 -2.296 1.00 0.96 H new ATOM 1165 N HIS A 75 4.463 7.199 -1.573 1.00 0.18 N ATOM 1166 CA HIS A 75 5.585 7.915 -2.060 1.00 0.19 C ATOM 1167 C HIS A 75 6.682 7.514 -1.159 1.00 0.19 C ATOM 1168 O HIS A 75 6.822 8.031 -0.057 1.00 0.19 O ATOM 1169 CB HIS A 75 5.364 9.429 -2.040 1.00 0.23 C ATOM 1170 CG HIS A 75 4.728 9.943 -3.291 1.00 0.39 C ATOM 1171 ND1 HIS A 75 5.310 10.902 -4.089 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.560 9.617 -3.892 1.00 1.15 C ATOM 1173 CE1 HIS A 75 4.528 11.144 -5.123 1.00 0.88 C ATOM 1174 NE2 HIS A 75 3.458 10.378 -5.029 1.00 0.94 N ATOM 0 H HIS A 75 4.128 7.491 -0.655 1.00 0.18 H new ATOM 0 HA HIS A 75 5.793 7.686 -3.105 1.00 0.19 H new ATOM 0 HB2 HIS A 75 4.736 9.688 -1.187 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.322 9.929 -1.894 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.841 8.892 -3.541 1.00 1.15 H new ATOM 0 HE1 HIS A 75 4.730 11.851 -5.914 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.683 10.355 -5.692 1.00 0.94 H new ATOM 1183 N ILE A 76 7.420 6.542 -1.598 1.00 0.21 N ATOM 1184 CA ILE A 76 8.488 6.053 -0.803 1.00 0.23 C ATOM 1185 C ILE A 76 9.772 6.199 -1.548 1.00 0.25 C ATOM 1186 O ILE A 76 10.166 5.388 -2.361 1.00 0.28 O ATOM 1187 CB ILE A 76 8.268 4.601 -0.422 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.920 4.430 0.266 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.394 4.100 0.473 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.565 2.988 0.531 1.00 0.52 C ATOM 0 H ILE A 76 7.299 6.078 -2.498 1.00 0.21 H new ATOM 0 HA ILE A 76 8.530 6.637 0.116 1.00 0.23 H new ATOM 0 HB ILE A 76 8.269 4.004 -1.334 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.930 4.974 1.210 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.144 4.880 -0.353 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.215 3.057 0.733 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.344 4.184 -0.055 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.430 4.700 1.382 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.593 2.937 1.023 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.523 2.444 -0.413 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.321 2.539 1.175 1.00 0.52 H new ATOM 1202 N THR A 77 10.427 7.230 -1.216 1.00 0.24 N ATOM 1203 CA THR A 77 11.651 7.550 -1.798 1.00 0.26 C ATOM 1204 C THR A 77 12.682 7.397 -0.747 1.00 0.36 C ATOM 1205 O THR A 77 12.488 7.752 0.418 1.00 0.58 O ATOM 1206 CB THR A 77 11.656 8.953 -2.396 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.691 9.956 -1.371 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.414 9.127 -3.234 1.00 0.37 C ATOM 0 H THR A 77 10.115 7.895 -0.509 1.00 0.24 H new ATOM 0 HA THR A 77 11.855 6.882 -2.635 1.00 0.26 H new ATOM 0 HB THR A 77 12.549 9.070 -3.010 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.695 10.845 -1.783 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.405 10.127 -3.668 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.407 8.385 -4.032 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.531 8.995 -2.608 1.00 0.37 H new ATOM 1216 N ASP A 78 13.718 6.798 -1.187 1.00 0.30 N ATOM 1217 CA ASP A 78 14.794 6.354 -0.339 1.00 0.45 C ATOM 1218 C ASP A 78 14.337 5.161 0.446 1.00 0.45 C ATOM 1219 O ASP A 78 13.555 5.215 1.405 1.00 0.70 O ATOM 1220 CB ASP A 78 15.320 7.451 0.546 1.00 0.61 C ATOM 1221 CG ASP A 78 15.918 6.956 1.851 1.00 1.44 C ATOM 1222 OD1 ASP A 78 16.994 6.319 1.810 1.00 1.97 O ATOM 1223 OD2 ASP A 78 15.314 7.196 2.917 1.00 2.12 O ATOM 0 H ASP A 78 13.863 6.588 -2.175 1.00 0.30 H new ATOM 0 HA ASP A 78 15.637 6.064 -0.967 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.078 8.012 0.000 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.509 8.144 0.769 1.00 0.61 H new ATOM 1228 N ALA A 79 14.772 4.085 -0.085 1.00 0.37 N ATOM 1229 CA ALA A 79 14.522 2.776 0.447 1.00 0.34 C ATOM 1230 C ALA A 79 15.780 2.245 1.095 1.00 0.38 C ATOM 1231 O ALA A 79 16.791 2.035 0.427 1.00 0.40 O ATOM 1232 CB ALA A 79 14.048 1.838 -0.651 1.00 0.34 C ATOM 0 H ALA A 79 15.335 4.076 -0.935 1.00 0.37 H new ATOM 0 HA ALA A 79 13.736 2.840 1.199 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.863 0.850 -0.230 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.127 2.225 -1.088 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.813 1.766 -1.424 1.00 0.34 H new ATOM 1238 N GLN A 80 15.723 2.095 2.402 1.00 0.47 N ATOM 1239 CA GLN A 80 16.773 1.435 3.146 1.00 0.55 C ATOM 1240 C GLN A 80 17.038 0.047 2.568 1.00 0.43 C ATOM 1241 O GLN A 80 16.105 -0.656 2.202 1.00 0.43 O ATOM 1242 CB GLN A 80 16.355 1.334 4.613 1.00 0.74 C ATOM 1243 CG GLN A 80 17.114 0.275 5.384 1.00 0.78 C ATOM 1244 CD GLN A 80 17.862 0.841 6.574 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.329 0.906 7.677 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.102 1.256 6.357 1.00 1.43 N ATOM 0 H GLN A 80 14.948 2.427 2.977 1.00 0.47 H new ATOM 0 HA GLN A 80 17.694 2.014 3.072 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.506 2.301 5.093 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.288 1.116 4.665 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.416 -0.488 5.728 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.821 -0.218 4.717 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.508 1.184 5.424 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.650 1.647 7.123 1.00 1.43 H new ATOM 1255 N PRO A 81 18.317 -0.365 2.488 1.00 0.42 N ATOM 1256 CA PRO A 81 18.709 -1.676 1.937 1.00 0.44 C ATOM 1257 C PRO A 81 18.120 -2.851 2.721 1.00 0.54 C ATOM 1258 O PRO A 81 18.168 -3.999 2.280 1.00 1.33 O ATOM 1259 CB PRO A 81 20.236 -1.677 2.054 1.00 0.50 C ATOM 1260 CG PRO A 81 20.548 -0.633 3.069 1.00 0.57 C ATOM 1261 CD PRO A 81 19.488 0.415 2.917 1.00 0.49 C ATOM 0 HA PRO A 81 18.342 -1.803 0.918 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.607 -2.653 2.366 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.705 -1.449 1.097 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.542 -1.052 4.075 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.540 -0.212 2.905 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.302 0.941 3.853 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.766 1.167 2.178 1.00 0.49 H new ATOM 1269 N ALA A 82 17.564 -2.555 3.883 1.00 0.81 N ATOM 1270 CA ALA A 82 16.915 -3.561 4.699 1.00 0.88 C ATOM 1271 C ALA A 82 15.407 -3.542 4.479 1.00 0.77 C ATOM 1272 O ALA A 82 14.656 -4.182 5.220 1.00 0.91 O ATOM 1273 CB ALA A 82 17.240 -3.342 6.168 1.00 1.12 C ATOM 0 H ALA A 82 17.550 -1.617 4.283 1.00 0.81 H new ATOM 0 HA ALA A 82 17.292 -4.540 4.402 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.745 -4.106 6.768 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.318 -3.407 6.316 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.890 -2.356 6.475 1.00 1.12 H new ATOM 1279 N PHE A 83 14.957 -2.815 3.455 1.00 0.64 N ATOM 1280 CA PHE A 83 13.550 -2.732 3.167 1.00 0.68 C ATOM 1281 C PHE A 83 13.169 -3.714 2.077 1.00 0.76 C ATOM 1282 O PHE A 83 11.982 -3.865 1.786 1.00 1.24 O ATOM 1283 CB PHE A 83 13.184 -1.314 2.743 1.00 0.74 C ATOM 1284 CG PHE A 83 12.893 -0.350 3.869 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.612 -0.837 5.137 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.897 1.031 3.678 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.342 0.019 6.185 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.626 1.890 4.726 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.363 1.469 5.910 1.00 0.88 C ATOM 0 H PHE A 83 15.554 -2.283 2.822 1.00 0.64 H new ATOM 0 HA PHE A 83 12.998 -2.987 4.072 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.001 -0.910 2.145 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.309 -1.362 2.095 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.604 -1.904 5.307 1.00 0.80 H new ATOM 0 HD2 PHE A 83 13.114 1.434 2.700 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.123 -0.359 7.173 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.636 2.954 4.542 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.158 2.174 6.702 1.00 0.88 H new ATOM 1299 N THR A 84 14.186 -4.331 1.456 1.00 0.55 N ATOM 1300 CA THR A 84 13.993 -5.413 0.519 1.00 0.58 C ATOM 1301 C THR A 84 13.063 -6.384 1.125 1.00 0.80 C ATOM 1302 O THR A 84 13.425 -7.192 1.963 1.00 1.22 O ATOM 1303 CB THR A 84 15.258 -6.201 0.140 1.00 0.97 C ATOM 1304 OG1 THR A 84 16.135 -5.410 -0.663 1.00 1.10 O ATOM 1305 CG2 THR A 84 14.854 -7.462 -0.617 1.00 1.17 C ATOM 0 H THR A 84 15.164 -4.081 1.600 1.00 0.55 H new ATOM 0 HA THR A 84 13.628 -4.940 -0.393 1.00 0.58 H new ATOM 0 HB THR A 84 15.790 -6.470 1.053 1.00 0.97 H new ATOM 0 HG1 THR A 84 16.932 -5.933 -0.889 1.00 1.10 H new ATOM 0 HG21 THR A 84 15.747 -8.025 -0.889 1.00 1.17 H new ATOM 0 HG22 THR A 84 14.215 -8.078 0.016 1.00 1.17 H new ATOM 0 HG23 THR A 84 14.311 -7.186 -1.521 1.00 1.17 H new ATOM 1313 N GLY A 85 11.869 -6.242 0.739 1.00 0.87 N ATOM 1314 CA GLY A 85 10.862 -7.122 1.240 1.00 1.43 C ATOM 1315 C GLY A 85 9.590 -7.006 0.501 1.00 0.96 C ATOM 1316 O GLY A 85 9.572 -7.020 -0.720 1.00 1.29 O ATOM 0 H GLY A 85 11.545 -5.534 0.080 1.00 0.87 H new ATOM 0 HA2 GLY A 85 11.220 -8.150 1.181 1.00 1.43 H new ATOM 0 HA3 GLY A 85 10.687 -6.906 2.294 1.00 1.43 H new ATOM 1320 N GLY A 86 8.533 -6.833 1.240 1.00 0.52 N ATOM 1321 CA GLY A 86 7.240 -6.889 0.653 1.00 0.52 C ATOM 1322 C GLY A 86 6.236 -6.073 1.407 1.00 0.40 C ATOM 1323 O GLY A 86 5.998 -6.271 2.595 1.00 0.43 O ATOM 0 H GLY A 86 8.547 -6.653 2.244 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.295 -6.533 -0.376 1.00 0.52 H new ATOM 0 HA3 GLY A 86 6.906 -7.926 0.614 1.00 0.52 H new ATOM 1327 N TYR A 87 5.708 -5.121 0.701 1.00 0.34 N ATOM 1328 CA TYR A 87 4.639 -4.284 1.167 1.00 0.28 C ATOM 1329 C TYR A 87 3.329 -5.014 0.889 1.00 0.30 C ATOM 1330 O TYR A 87 3.002 -5.286 -0.264 1.00 0.39 O ATOM 1331 CB TYR A 87 4.683 -2.953 0.414 1.00 0.35 C ATOM 1332 CG TYR A 87 5.974 -2.164 0.575 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.223 -2.696 0.232 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.938 -0.864 1.050 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.378 -1.954 0.369 1.00 0.49 C ATOM 1336 CE2 TYR A 87 7.091 -0.121 1.185 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.306 -0.668 0.845 1.00 0.54 C ATOM 1338 OH TYR A 87 9.454 0.076 0.988 1.00 0.63 O ATOM 0 H TYR A 87 6.017 -4.896 -0.245 1.00 0.34 H new ATOM 0 HA TYR A 87 4.730 -4.079 2.234 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.524 -3.148 -0.647 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.852 -2.334 0.752 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.283 -3.706 -0.147 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.989 -0.424 1.320 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.333 -2.382 0.103 1.00 0.49 H new ATOM 0 HE2 TYR A 87 7.040 0.891 1.558 1.00 0.54 H new ATOM 0 HH TYR A 87 9.394 0.880 0.431 1.00 0.63 H new ATOM 1348 N ARG A 88 2.618 -5.391 1.929 1.00 0.33 N ATOM 1349 CA ARG A 88 1.346 -6.082 1.761 1.00 0.36 C ATOM 1350 C ARG A 88 0.193 -5.151 2.066 1.00 0.36 C ATOM 1351 O ARG A 88 0.153 -4.523 3.115 1.00 0.60 O ATOM 1352 CB ARG A 88 1.265 -7.315 2.661 1.00 0.42 C ATOM 1353 CG ARG A 88 2.018 -8.523 2.126 1.00 1.09 C ATOM 1354 CD ARG A 88 1.776 -9.753 2.987 1.00 1.23 C ATOM 1355 NE ARG A 88 2.407 -9.649 4.304 1.00 1.73 N ATOM 1356 CZ ARG A 88 1.792 -9.923 5.459 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.495 -10.206 5.480 1.00 2.11 N ATOM 1358 NH2 ARG A 88 2.475 -9.895 6.598 1.00 3.15 N ATOM 0 H ARG A 88 2.892 -5.234 2.899 1.00 0.33 H new ATOM 0 HA ARG A 88 1.280 -6.406 0.723 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.660 -7.060 3.645 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.218 -7.584 2.798 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.703 -8.726 1.102 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.085 -8.304 2.094 1.00 1.09 H new ATOM 0 HD2 ARG A 88 0.703 -9.899 3.112 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.160 -10.634 2.472 1.00 1.23 H new ATOM 0 HE ARG A 88 3.381 -9.347 4.343 1.00 1.73 H new ATOM 0 HH11 ARG A 88 -0.039 -10.215 4.611 1.00 2.11 H new ATOM 0 HH12 ARG A 88 0.033 -10.414 6.365 1.00 2.11 H new ATOM 0 HH21 ARG A 88 3.469 -9.664 6.591 1.00 3.15 H new ATOM 0 HH22 ARG A 88 2.006 -10.104 7.479 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.736 -5.057 1.145 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.893 -4.221 1.346 1.00 0.27 C ATOM 1374 C CYS A 89 -3.123 -5.089 1.483 1.00 0.25 C ATOM 1375 O CYS A 89 -3.430 -5.896 0.608 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.064 -3.256 0.192 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.943 -1.749 0.629 1.00 1.08 S ATOM 0 H CYS A 89 -0.713 -5.548 0.251 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.754 -3.640 2.258 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.081 -2.992 -0.197 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.601 -3.758 -0.613 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.096 -0.769 0.740 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.813 -4.923 2.580 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.957 -5.749 2.891 1.00 0.28 C ATOM 1385 C GLU A 90 -6.124 -4.887 3.342 1.00 0.26 C ATOM 1386 O GLU A 90 -6.050 -4.208 4.368 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.588 -6.762 3.970 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.544 -7.776 3.525 1.00 1.19 C ATOM 1389 CD GLU A 90 -3.183 -8.759 4.615 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.028 -9.610 4.962 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -2.046 -8.699 5.121 1.00 1.81 O ATOM 0 H GLU A 90 -3.602 -4.215 3.283 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.259 -6.289 1.994 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.214 -6.229 4.844 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.488 -7.293 4.281 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.919 -8.322 2.659 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.645 -7.249 3.205 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.191 -4.903 2.565 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.370 -4.118 2.878 1.00 0.22 C ATOM 1400 C VAL A 91 -9.510 -5.011 3.351 1.00 0.22 C ATOM 1401 O VAL A 91 -9.714 -6.116 2.838 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.827 -3.250 1.681 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.897 -4.065 0.404 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.156 -2.584 1.977 1.00 0.51 C ATOM 0 H VAL A 91 -7.265 -5.453 1.709 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.095 -3.442 3.688 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.082 -2.468 1.531 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.221 -3.426 -0.418 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.912 -4.474 0.179 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.608 -4.881 0.532 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.458 -1.979 1.122 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.911 -3.347 2.167 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -10.056 -1.947 2.855 1.00 0.51 H new ATOM 1414 N SER A 92 -10.241 -4.513 4.335 1.00 0.22 N ATOM 1415 CA SER A 92 -11.315 -5.254 4.962 1.00 0.25 C ATOM 1416 C SER A 92 -12.547 -4.365 5.121 1.00 0.26 C ATOM 1417 O SER A 92 -12.543 -3.384 5.867 1.00 0.30 O ATOM 1418 CB SER A 92 -10.859 -5.787 6.323 1.00 0.32 C ATOM 1419 OG SER A 92 -11.805 -6.695 6.861 1.00 1.18 O ATOM 0 H SER A 92 -10.103 -3.579 4.721 1.00 0.22 H new ATOM 0 HA SER A 92 -11.579 -6.100 4.327 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.894 -6.283 6.218 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.716 -4.955 7.013 1.00 0.32 H new ATOM 0 HG SER A 92 -11.488 -7.021 7.729 1.00 1.18 H new ATOM 1425 N THR A 93 -13.573 -4.692 4.368 1.00 0.28 N ATOM 1426 CA THR A 93 -14.848 -4.008 4.435 1.00 0.35 C ATOM 1427 C THR A 93 -15.943 -4.940 4.875 1.00 0.39 C ATOM 1428 O THR A 93 -15.681 -6.114 5.112 1.00 0.59 O ATOM 1429 CB THR A 93 -15.223 -3.464 3.075 1.00 0.42 C ATOM 1430 OG1 THR A 93 -14.983 -4.441 2.062 1.00 0.74 O ATOM 1431 CG2 THR A 93 -14.444 -2.211 2.816 1.00 0.57 C ATOM 0 H THR A 93 -13.547 -5.448 3.684 1.00 0.28 H new ATOM 0 HA THR A 93 -14.742 -3.198 5.157 1.00 0.35 H new ATOM 0 HB THR A 93 -16.287 -3.228 3.056 1.00 0.42 H new ATOM 0 HG1 THR A 93 -15.110 -4.035 1.179 1.00 0.74 H new ATOM 0 HG21 THR A 93 -14.710 -1.813 1.837 1.00 0.57 H new ATOM 0 HG22 THR A 93 -14.677 -1.472 3.583 1.00 0.57 H new ATOM 0 HG23 THR A 93 -13.377 -2.434 2.840 1.00 0.57 H new ATOM 1439 N LYS A 94 -17.172 -4.386 4.909 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.425 -5.108 5.209 1.00 0.43 C ATOM 1441 C LYS A 94 -18.311 -6.606 5.064 1.00 0.42 C ATOM 1442 O LYS A 94 -18.722 -7.377 5.930 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.543 -4.634 4.267 1.00 0.45 C ATOM 1444 CG LYS A 94 -19.079 -4.031 2.934 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.427 -5.014 1.983 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.413 -6.044 1.469 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.705 -5.421 1.071 1.00 0.65 N ATOM 0 H LYS A 94 -17.324 -3.395 4.723 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.650 -4.885 6.252 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.197 -5.480 4.054 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -20.144 -3.891 4.791 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.938 -3.582 2.436 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.374 -3.226 3.142 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.996 -4.473 1.141 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.606 -5.520 2.491 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.982 -6.565 0.614 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.593 -6.792 2.241 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.465 -5.776 1.685 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.636 -4.388 1.167 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.917 -5.663 0.082 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.749 -6.986 3.952 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.679 -8.370 3.564 1.00 0.40 C ATOM 1463 C ASP A 95 -16.721 -8.554 2.402 1.00 0.37 C ATOM 1464 O ASP A 95 -16.487 -9.673 1.970 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.065 -8.850 3.156 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.384 -10.252 3.635 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.950 -11.220 2.981 1.00 1.05 O ATOM 1468 OD2 ASP A 95 -20.046 -10.384 4.676 1.00 0.89 O ATOM 0 H ASP A 95 -17.324 -6.343 3.284 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.316 -8.952 4.411 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.811 -8.161 3.552 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.147 -8.818 2.070 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.158 -7.457 1.892 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.275 -7.559 0.759 1.00 0.29 C ATOM 1475 C LYS A 96 -13.872 -7.610 1.268 1.00 0.27 C ATOM 1476 O LYS A 96 -13.479 -6.841 2.152 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.403 -6.426 -0.280 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.007 -6.888 -1.593 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.086 -7.881 -2.289 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.735 -8.536 -3.497 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.466 -7.794 -4.753 1.00 1.29 N ATOM 0 H LYS A 96 -16.302 -6.511 2.246 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.561 -8.465 0.225 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.019 -5.628 0.135 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.417 -6.002 -0.470 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.977 -7.350 -1.410 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.181 -6.029 -2.241 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.177 -7.368 -2.604 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.787 -8.652 -1.579 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -15.367 -9.557 -3.595 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -16.812 -8.599 -3.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -16.367 -7.559 -5.217 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -14.950 -6.918 -4.535 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -14.893 -8.384 -5.389 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.150 -8.541 0.741 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.771 -8.725 1.111 1.00 0.29 C ATOM 1497 C PHE A 97 -10.888 -8.837 -0.107 1.00 0.32 C ATOM 1498 O PHE A 97 -11.193 -9.559 -1.055 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.626 -9.953 1.981 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.282 -10.052 2.652 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.053 -9.426 3.867 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.252 -10.774 2.069 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.823 -9.516 4.491 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.019 -10.867 2.689 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.795 -10.232 3.882 1.00 0.74 C ATOM 0 H PHE A 97 -13.491 -9.200 0.041 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.452 -7.849 1.676 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.405 -9.944 2.743 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.787 -10.842 1.372 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.846 -8.860 4.333 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.414 -11.268 1.122 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.660 -9.035 5.444 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.229 -11.443 2.230 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.823 -10.286 4.350 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.794 -8.115 -0.053 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.802 -8.106 -1.118 1.00 0.43 C ATOM 1517 C ASP A 98 -7.441 -7.787 -0.531 1.00 0.36 C ATOM 1518 O ASP A 98 -7.342 -7.043 0.449 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.154 -7.079 -2.198 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.227 -7.553 -3.166 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.905 -8.322 -4.098 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.408 -7.187 -2.981 1.00 1.60 O ATOM 0 H ASP A 98 -9.559 -7.511 0.734 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.787 -9.091 -1.584 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.491 -6.160 -1.717 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.253 -6.833 -2.760 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.398 -8.352 -1.115 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.051 -8.154 -0.608 1.00 0.30 C ATOM 1529 C CYS A 99 -4.020 -8.216 -1.722 1.00 0.32 C ATOM 1530 O CYS A 99 -4.205 -8.908 -2.723 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.722 -9.189 0.470 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.006 -10.905 -0.031 1.00 1.19 S ATOM 0 H CYS A 99 -6.458 -8.950 -1.939 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.012 -7.158 -0.167 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.677 -9.076 0.759 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.322 -8.977 1.355 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.696 -11.700 0.949 1.00 1.19 H new ATOM 1538 N SER A 100 -2.944 -7.471 -1.543 1.00 0.27 N ATOM 1539 CA SER A 100 -1.849 -7.462 -2.497 1.00 0.30 C ATOM 1540 C SER A 100 -0.532 -7.800 -1.840 1.00 0.31 C ATOM 1541 O SER A 100 -0.291 -7.477 -0.674 1.00 0.42 O ATOM 1542 CB SER A 100 -1.721 -6.116 -3.196 1.00 0.38 C ATOM 1543 OG SER A 100 -1.980 -5.047 -2.307 1.00 0.84 O ATOM 0 H SER A 100 -2.805 -6.859 -0.739 1.00 0.27 H new ATOM 0 HA SER A 100 -2.085 -8.227 -3.237 1.00 0.30 H new ATOM 0 HB2 SER A 100 -0.718 -6.013 -3.609 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.417 -6.072 -4.034 1.00 0.38 H new ATOM 0 HG SER A 100 -1.404 -5.130 -1.518 1.00 0.84 H new ATOM 1549 N ASN A 101 0.317 -8.436 -2.613 1.00 0.34 N ATOM 1550 CA ASN A 101 1.665 -8.751 -2.181 1.00 0.37 C ATOM 1551 C ASN A 101 2.652 -8.256 -3.228 1.00 0.42 C ATOM 1552 O ASN A 101 2.660 -8.721 -4.365 1.00 0.65 O ATOM 1553 CB ASN A 101 1.841 -10.261 -1.884 1.00 0.60 C ATOM 1554 CG ASN A 101 1.775 -11.191 -3.096 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.441 -12.227 -3.118 1.00 1.58 O ATOM 1556 ND2 ASN A 101 0.975 -10.855 -4.097 1.00 1.05 N ATOM 0 H ASN A 101 0.096 -8.751 -3.558 1.00 0.34 H new ATOM 0 HA ASN A 101 1.863 -8.239 -1.240 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.803 -10.405 -1.391 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.071 -10.564 -1.175 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.898 -11.461 -4.914 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.436 -9.991 -4.051 1.00 1.05 H new ATOM 1563 N PHE A 102 3.438 -7.264 -2.866 1.00 0.31 N ATOM 1564 CA PHE A 102 4.327 -6.635 -3.809 1.00 0.38 C ATOM 1565 C PHE A 102 5.639 -6.307 -3.131 1.00 0.30 C ATOM 1566 O PHE A 102 5.674 -5.697 -2.062 1.00 0.37 O ATOM 1567 CB PHE A 102 3.666 -5.403 -4.429 1.00 0.57 C ATOM 1568 CG PHE A 102 3.014 -4.452 -3.460 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.740 -4.696 -2.963 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.667 -3.298 -3.066 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.142 -3.808 -2.090 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.071 -2.408 -2.199 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.809 -2.664 -1.710 1.00 0.86 C ATOM 0 H PHE A 102 3.476 -6.878 -1.923 1.00 0.31 H new ATOM 0 HA PHE A 102 4.541 -7.322 -4.627 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.420 -4.855 -4.995 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.913 -5.738 -5.142 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.212 -5.589 -3.262 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.658 -3.092 -3.443 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.153 -4.010 -1.706 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.593 -1.510 -1.903 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.342 -1.968 -1.029 1.00 0.86 H new ATOM 1583 N ASN A 103 6.715 -6.740 -3.749 1.00 0.24 N ATOM 1584 CA ASN A 103 7.997 -6.741 -3.126 1.00 0.25 C ATOM 1585 C ASN A 103 8.888 -5.640 -3.635 1.00 0.28 C ATOM 1586 O ASN A 103 8.940 -5.338 -4.818 1.00 0.49 O ATOM 1587 CB ASN A 103 8.665 -8.099 -3.321 1.00 0.33 C ATOM 1588 CG ASN A 103 8.515 -8.684 -4.712 1.00 1.08 C ATOM 1589 OD1 ASN A 103 8.576 -7.986 -5.718 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.286 -9.981 -4.769 1.00 1.25 N ATOM 0 H ASN A 103 6.713 -7.101 -4.703 1.00 0.24 H new ATOM 0 HA ASN A 103 7.844 -6.555 -2.063 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.727 -8.002 -3.095 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.248 -8.801 -2.599 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.153 -10.436 -5.672 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.242 -10.529 -3.910 1.00 1.25 H new ATOM 1597 N LEU A 104 9.607 -5.063 -2.718 1.00 0.23 N ATOM 1598 CA LEU A 104 10.573 -4.050 -3.055 1.00 0.24 C ATOM 1599 C LEU A 104 11.941 -4.619 -2.853 1.00 0.25 C ATOM 1600 O LEU A 104 12.322 -4.958 -1.740 1.00 0.37 O ATOM 1601 CB LEU A 104 10.419 -2.767 -2.233 1.00 0.27 C ATOM 1602 CG LEU A 104 11.706 -2.007 -2.007 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.665 -0.669 -2.718 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.997 -1.833 -0.529 1.00 0.30 C ATOM 0 H LEU A 104 9.544 -5.276 -1.722 1.00 0.23 H new ATOM 0 HA LEU A 104 10.408 -3.767 -4.095 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.709 -2.111 -2.737 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.987 -3.021 -1.265 1.00 0.27 H new ATOM 0 HG LEU A 104 12.521 -2.594 -2.430 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.600 -0.136 -2.544 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.532 -0.829 -3.788 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.833 -0.078 -2.334 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.929 -1.282 -0.404 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.183 -1.279 -0.061 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.088 -2.812 -0.058 1.00 0.30 H new ATOM 1616 N THR A 105 12.660 -4.759 -3.926 1.00 0.23 N ATOM 1617 CA THR A 105 14.022 -5.206 -3.829 1.00 0.24 C ATOM 1618 C THR A 105 14.939 -4.001 -3.863 1.00 0.21 C ATOM 1619 O THR A 105 15.254 -3.479 -4.930 1.00 0.22 O ATOM 1620 CB THR A 105 14.389 -6.168 -4.965 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.328 -7.115 -5.169 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.679 -6.911 -4.644 1.00 0.32 C ATOM 0 H THR A 105 12.332 -4.572 -4.874 1.00 0.23 H new ATOM 0 HA THR A 105 14.139 -5.747 -2.890 1.00 0.24 H new ATOM 0 HB THR A 105 14.536 -5.585 -5.874 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.569 -7.725 -5.897 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.922 -7.589 -5.463 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.489 -6.194 -4.514 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.550 -7.483 -3.725 1.00 0.32 H new ATOM 1630 N VAL A 106 15.327 -3.545 -2.688 1.00 0.23 N ATOM 1631 CA VAL A 106 16.237 -2.436 -2.572 1.00 0.23 C ATOM 1632 C VAL A 106 17.656 -2.928 -2.791 1.00 0.25 C ATOM 1633 O VAL A 106 18.223 -3.714 -2.029 1.00 0.28 O ATOM 1634 CB VAL A 106 16.116 -1.682 -1.231 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.260 -2.622 -0.075 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.119 -0.546 -1.171 1.00 0.33 C ATOM 0 H VAL A 106 15.020 -3.933 -1.796 1.00 0.23 H new ATOM 0 HA VAL A 106 15.969 -1.712 -3.341 1.00 0.23 H new ATOM 0 HB VAL A 106 15.120 -1.244 -1.163 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.171 -2.067 0.859 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.478 -3.380 -0.123 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.236 -3.105 -0.118 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.021 -0.024 -0.219 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.129 -0.947 -1.263 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.929 0.150 -1.988 1.00 0.33 H new ATOM 1646 N HIS A 107 18.178 -2.460 -3.874 1.00 0.26 N ATOM 1647 CA HIS A 107 19.467 -2.859 -4.383 1.00 0.31 C ATOM 1648 C HIS A 107 20.562 -2.087 -3.692 1.00 0.34 C ATOM 1649 O HIS A 107 20.832 -0.928 -4.005 1.00 0.36 O ATOM 1650 CB HIS A 107 19.560 -2.618 -5.898 1.00 0.36 C ATOM 1651 CG HIS A 107 18.545 -3.360 -6.715 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.131 -2.941 -7.960 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.880 -4.514 -6.473 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.259 -3.800 -8.445 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.085 -4.770 -7.566 1.00 0.53 N ATOM 0 H HIS A 107 17.711 -1.765 -4.457 1.00 0.26 H new ATOM 0 HA HIS A 107 19.587 -3.924 -4.186 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.450 -1.551 -6.090 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.556 -2.902 -6.237 1.00 0.36 H new ATOM 0 HD1 HIS A 107 18.451 -2.096 -8.433 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.959 -5.122 -5.584 1.00 0.70 H new ATOM 0 HE1 HIS A 107 16.767 -3.724 -9.404 1.00 1.10 H new ATOM 1664 N GLU A 108 21.148 -2.732 -2.725 1.00 0.45 N ATOM 1665 CA GLU A 108 22.385 -2.263 -2.133 1.00 0.56 C ATOM 1666 C GLU A 108 23.556 -2.795 -2.962 1.00 0.71 C ATOM 1667 O GLU A 108 24.077 -2.093 -3.829 1.00 1.33 O ATOM 1668 CB GLU A 108 22.491 -2.719 -0.677 1.00 0.71 C ATOM 1669 CG GLU A 108 23.693 -2.156 0.055 1.00 0.87 C ATOM 1670 CD GLU A 108 23.802 -2.664 1.477 1.00 1.20 C ATOM 1671 OE1 GLU A 108 24.084 -3.870 1.656 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.608 -1.867 2.421 1.00 1.66 O ATOM 0 H GLU A 108 20.790 -3.597 -2.320 1.00 0.45 H new ATOM 0 HA GLU A 108 22.406 -1.173 -2.135 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.585 -2.426 -0.147 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.538 -3.808 -0.650 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.600 -2.417 -0.490 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.630 -1.068 0.066 1.00 0.87 H new ATOM 1679 N ALA A 109 23.925 -4.052 -2.698 1.00 1.29 N ATOM 1680 CA ALA A 109 24.899 -4.802 -3.505 1.00 1.54 C ATOM 1681 C ALA A 109 26.159 -3.999 -3.835 1.00 2.12 C ATOM 1682 O ALA A 109 26.368 -3.598 -4.983 1.00 2.78 O ATOM 1683 CB ALA A 109 24.243 -5.317 -4.783 1.00 2.44 C ATOM 0 H ALA A 109 23.554 -4.585 -1.911 1.00 1.29 H new ATOM 0 HA ALA A 109 25.224 -5.645 -2.895 1.00 1.54 H new ATOM 0 HB1 ALA A 109 24.976 -5.870 -5.371 1.00 2.44 H new ATOM 0 HB2 ALA A 109 23.413 -5.975 -4.526 1.00 2.44 H new ATOM 0 HB3 ALA A 109 23.872 -4.474 -5.366 1.00 2.44 H new ATOM 1689 N MET A 110 26.995 -3.774 -2.832 1.00 2.77 N ATOM 1690 CA MET A 110 28.259 -3.076 -3.025 1.00 3.92 C ATOM 1691 C MET A 110 29.111 -3.198 -1.767 1.00 4.80 C ATOM 1692 O MET A 110 29.010 -2.319 -0.887 1.00 5.41 O ATOM 1693 CB MET A 110 28.030 -1.601 -3.375 1.00 4.52 C ATOM 1694 CG MET A 110 29.311 -0.850 -3.694 1.00 5.33 C ATOM 1695 SD MET A 110 29.023 0.858 -4.201 1.00 6.12 S ATOM 1696 CE MET A 110 30.710 1.435 -4.371 1.00 6.92 C ATOM 1697 OXT MET A 110 29.843 -4.199 -1.644 1.00 5.23 O ATOM 0 H MET A 110 26.820 -4.066 -1.871 1.00 2.77 H new ATOM 0 HA MET A 110 28.784 -3.538 -3.861 1.00 3.92 H new ATOM 0 HB2 MET A 110 27.358 -1.539 -4.231 1.00 4.52 H new ATOM 0 HB3 MET A 110 27.529 -1.111 -2.540 1.00 4.52 H new ATOM 0 HG2 MET A 110 29.958 -0.858 -2.817 1.00 5.33 H new ATOM 0 HG3 MET A 110 29.844 -1.373 -4.488 1.00 5.33 H new ATOM 0 HE1 MET A 110 30.708 2.480 -4.681 1.00 6.92 H new ATOM 0 HE2 MET A 110 31.225 1.341 -3.415 1.00 6.92 H new ATOM 0 HE3 MET A 110 31.226 0.835 -5.121 1.00 6.92 H new TER 1707 MET A 110