USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 68 LYS NZ :NH3+ 179:sc= -1.19! (180deg=-1.35!) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.0544 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.86! K(o=-3.9!,f=-1.2) 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 36:sc= 0.256 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0628) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= 1.08 (180deg=0.512) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -0.107 (180deg=-0.445) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 94:sc= 1.33 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 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-1.6) USER MOD Single : A 58 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.5) USER MOD Single : A 60 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 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 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.583 K(o=-0.58,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 70:sc= -0.466 USER MOD Single : A 89 CYS SG : rot 98:sc= 1.95 USER MOD Single : A 92 SER OG : rot -56:sc= 0.401 USER MOD Single : A 93 THR OG1 : rot -41:sc= -1.67 USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.765 (180deg=-0.976!) USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= 1.2 (180deg=0.968) USER MOD Single : A 99 CYS SG : rot 180:sc= -2.72! USER MOD Single : A 100 SER OG : rot 80:sc= -1.91! USER MOD Single : A 101 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.9!) USER MOD Single : A 103 ASN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 107 HIS : no HD1:sc= 0.565 K(o=0.57,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -20.058 -8.331 -0.349 1.00 0.70 N ATOM 14 CA ASP A 2 -21.012 -7.785 -1.271 1.00 0.72 C ATOM 15 C ASP A 2 -20.332 -7.295 -2.537 1.00 0.70 C ATOM 16 O ASP A 2 -19.109 -7.149 -2.560 1.00 0.75 O ATOM 17 CB ASP A 2 -21.661 -6.624 -0.570 1.00 0.79 C ATOM 18 CG ASP A 2 -22.597 -7.054 0.524 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.780 -7.318 0.243 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.144 -7.107 1.683 1.00 1.65 O ATOM 0 HA ASP A 2 -21.737 -8.545 -1.564 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.888 -5.981 -0.149 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -22.210 -6.027 -1.298 1.00 0.79 H new ATOM 25 N PRO A 3 -21.101 -7.024 -3.600 1.00 0.71 N ATOM 26 CA PRO A 3 -20.566 -6.452 -4.835 1.00 0.72 C ATOM 27 C PRO A 3 -20.036 -5.033 -4.625 1.00 0.66 C ATOM 28 O PRO A 3 -20.747 -4.048 -4.816 1.00 0.97 O ATOM 29 CB PRO A 3 -21.761 -6.453 -5.798 1.00 0.84 C ATOM 30 CG PRO A 3 -22.766 -7.367 -5.179 1.00 0.94 C ATOM 31 CD PRO A 3 -22.548 -7.270 -3.698 1.00 0.81 C ATOM 0 HA PRO A 3 -19.717 -7.022 -5.212 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.167 -5.449 -5.922 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.468 -6.803 -6.788 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.781 -7.071 -5.445 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.631 -8.391 -5.528 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -23.127 -6.460 -3.256 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.839 -8.187 -3.185 1.00 0.81 H new ATOM 39 N ILE A 4 -18.796 -4.959 -4.174 1.00 0.45 N ATOM 40 CA ILE A 4 -18.106 -3.692 -3.981 1.00 0.41 C ATOM 41 C ILE A 4 -17.026 -3.540 -5.031 1.00 0.41 C ATOM 42 O ILE A 4 -17.034 -2.605 -5.826 1.00 0.50 O ATOM 43 CB ILE A 4 -17.475 -3.605 -2.563 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.499 -3.114 -1.545 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.245 -2.697 -2.531 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.540 -4.137 -1.186 1.00 0.46 C ATOM 0 H ILE A 4 -18.237 -5.776 -3.930 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.834 -2.886 -4.078 1.00 0.41 H new ATOM 0 HB ILE A 4 -17.155 -4.613 -2.301 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.977 -2.807 -0.638 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.996 -2.229 -1.942 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.840 -2.669 -1.519 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.489 -3.084 -3.214 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.528 -1.690 -2.837 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.231 -3.713 -0.458 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -20.089 -4.427 -2.082 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -19.055 -5.014 -0.758 1.00 0.46 H new ATOM 58 N GLY A 5 -16.100 -4.481 -5.024 1.00 0.36 N ATOM 59 CA GLY A 5 -14.987 -4.408 -5.935 1.00 0.39 C ATOM 60 C GLY A 5 -13.875 -3.656 -5.279 1.00 0.33 C ATOM 61 O GLY A 5 -13.200 -2.829 -5.887 1.00 0.33 O ATOM 0 H GLY A 5 -16.100 -5.292 -4.405 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.656 -5.410 -6.207 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -15.286 -3.910 -6.857 1.00 0.39 H new ATOM 65 N LEU A 6 -13.719 -3.981 -4.007 1.00 0.32 N ATOM 66 CA LEU A 6 -12.821 -3.305 -3.095 1.00 0.29 C ATOM 67 C LEU A 6 -11.436 -3.170 -3.695 1.00 0.29 C ATOM 68 O LEU A 6 -10.782 -2.141 -3.564 1.00 0.33 O ATOM 69 CB LEU A 6 -12.770 -4.122 -1.809 1.00 0.29 C ATOM 70 CG LEU A 6 -12.552 -3.342 -0.523 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.584 -2.238 -0.351 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.606 -4.298 0.640 1.00 0.28 C ATOM 0 H LEU A 6 -14.231 -4.747 -3.570 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.182 -2.296 -2.894 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.704 -4.676 -1.719 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.971 -4.857 -1.903 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.575 -2.861 -0.567 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.394 -1.704 0.580 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.517 -1.543 -1.188 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.582 -2.675 -0.321 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.451 -3.750 1.569 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.580 -4.786 0.665 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.826 -5.051 0.528 1.00 0.28 H new ATOM 84 N PHE A 7 -11.017 -4.210 -4.386 1.00 0.30 N ATOM 85 CA PHE A 7 -9.732 -4.222 -5.019 1.00 0.32 C ATOM 86 C PHE A 7 -9.863 -3.732 -6.453 1.00 0.29 C ATOM 87 O PHE A 7 -10.037 -4.516 -7.386 1.00 0.32 O ATOM 88 CB PHE A 7 -9.146 -5.624 -4.957 1.00 0.41 C ATOM 89 CG PHE A 7 -7.830 -5.680 -4.243 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.762 -5.657 -2.854 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.656 -5.757 -4.964 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.543 -5.710 -2.209 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.439 -5.808 -4.325 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.381 -5.786 -2.948 1.00 0.61 C ATOM 0 H PHE A 7 -11.561 -5.063 -4.519 1.00 0.30 H new ATOM 0 HA PHE A 7 -9.052 -3.550 -4.496 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.853 -6.285 -4.456 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -9.019 -6.003 -5.971 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.672 -5.597 -2.275 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.693 -5.777 -6.043 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.499 -5.692 -1.130 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.528 -5.865 -4.903 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.425 -5.828 -2.447 1.00 0.61 H new ATOM 104 N VAL A 8 -9.833 -2.419 -6.596 1.00 0.28 N ATOM 105 CA VAL A 8 -9.933 -1.769 -7.896 1.00 0.34 C ATOM 106 C VAL A 8 -8.626 -1.917 -8.652 1.00 0.44 C ATOM 107 O VAL A 8 -8.602 -2.295 -9.824 1.00 0.63 O ATOM 108 CB VAL A 8 -10.254 -0.272 -7.741 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.522 0.372 -9.093 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.443 -0.093 -6.812 1.00 0.33 C ATOM 0 H VAL A 8 -9.739 -1.770 -5.815 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.740 -2.249 -8.449 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.388 0.226 -7.305 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.746 1.430 -8.954 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.641 0.268 -9.727 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.371 -0.119 -9.568 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.665 0.969 -6.706 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.310 -0.606 -7.228 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.207 -0.514 -5.834 1.00 0.33 H new ATOM 120 N MET A 9 -7.543 -1.620 -7.959 1.00 0.43 N ATOM 121 CA MET A 9 -6.214 -1.752 -8.518 1.00 0.65 C ATOM 122 C MET A 9 -5.243 -2.041 -7.402 1.00 0.44 C ATOM 123 O MET A 9 -5.208 -1.330 -6.395 1.00 0.44 O ATOM 124 CB MET A 9 -5.780 -0.495 -9.257 1.00 1.05 C ATOM 125 CG MET A 9 -4.444 -0.645 -9.960 1.00 1.45 C ATOM 126 SD MET A 9 -4.471 -1.897 -11.259 1.00 2.35 S ATOM 127 CE MET A 9 -2.769 -1.829 -11.822 1.00 2.88 C ATOM 0 H MET A 9 -7.561 -1.282 -6.997 1.00 0.43 H new ATOM 0 HA MET A 9 -6.227 -2.569 -9.239 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.542 -0.232 -9.991 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.720 0.332 -8.549 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.157 0.314 -10.392 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.681 -0.906 -9.227 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.623 -2.548 -12.628 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.546 -0.826 -12.186 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.102 -2.072 -10.995 1.00 2.88 H new ATOM 137 N ARG A 10 -4.458 -3.070 -7.585 1.00 0.47 N ATOM 138 CA ARG A 10 -3.538 -3.495 -6.558 1.00 0.41 C ATOM 139 C ARG A 10 -2.222 -2.759 -6.699 1.00 0.39 C ATOM 140 O ARG A 10 -1.789 -2.444 -7.809 1.00 0.45 O ATOM 141 CB ARG A 10 -3.314 -5.012 -6.602 1.00 0.46 C ATOM 142 CG ARG A 10 -2.831 -5.541 -7.937 1.00 0.97 C ATOM 143 CD ARG A 10 -2.712 -7.055 -7.909 1.00 1.34 C ATOM 144 NE ARG A 10 -1.555 -7.521 -7.134 1.00 2.11 N ATOM 145 CZ ARG A 10 -1.399 -8.788 -6.727 1.00 2.72 C ATOM 146 NH1 ARG A 10 -2.382 -9.664 -6.901 1.00 2.74 N ATOM 147 NH2 ARG A 10 -0.280 -9.169 -6.113 1.00 3.67 N ATOM 0 H ARG A 10 -4.436 -3.631 -8.436 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.976 -3.253 -5.590 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.587 -5.281 -5.835 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.248 -5.511 -6.345 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -3.523 -5.241 -8.724 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -1.864 -5.101 -8.179 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -3.622 -7.479 -7.484 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -2.633 -7.428 -8.930 1.00 1.34 H new ATOM 0 HE ARG A 10 -0.831 -6.844 -6.893 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.253 -9.372 -7.344 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -2.266 -10.629 -6.592 1.00 2.74 H new ATOM 0 HH21 ARG A 10 0.467 -8.494 -5.949 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -0.170 -10.136 -5.807 1.00 3.67 H new ATOM 161 N PRO A 11 -1.595 -2.446 -5.568 1.00 0.43 N ATOM 162 CA PRO A 11 -0.274 -1.828 -5.548 1.00 0.50 C ATOM 163 C PRO A 11 0.763 -2.790 -6.105 1.00 0.47 C ATOM 164 O PRO A 11 0.647 -4.007 -5.930 1.00 0.54 O ATOM 165 CB PRO A 11 -0.039 -1.569 -4.062 1.00 0.62 C ATOM 166 CG PRO A 11 -0.861 -2.612 -3.392 1.00 0.64 C ATOM 167 CD PRO A 11 -2.108 -2.688 -4.211 1.00 0.53 C ATOM 0 HA PRO A 11 -0.203 -0.924 -6.153 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.015 -1.660 -3.801 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.353 -0.565 -3.775 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.343 -3.571 -3.368 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.080 -2.342 -2.359 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.594 -3.660 -4.125 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.840 -1.938 -3.911 1.00 0.53 H new ATOM 175 N GLN A 12 1.759 -2.263 -6.784 1.00 0.44 N ATOM 176 CA GLN A 12 2.705 -3.091 -7.468 1.00 0.43 C ATOM 177 C GLN A 12 4.110 -2.948 -6.883 1.00 0.37 C ATOM 178 O GLN A 12 4.389 -1.953 -6.235 1.00 0.40 O ATOM 179 CB GLN A 12 2.717 -2.685 -8.918 1.00 0.55 C ATOM 180 CG GLN A 12 3.483 -3.657 -9.755 1.00 0.73 C ATOM 181 CD GLN A 12 2.813 -5.026 -9.792 1.00 1.06 C ATOM 182 OE1 GLN A 12 2.079 -5.333 -10.735 1.00 1.43 O ATOM 183 NE2 GLN A 12 2.974 -5.831 -8.736 1.00 1.32 N ATOM 0 H GLN A 12 1.927 -1.261 -6.872 1.00 0.44 H new ATOM 0 HA GLN A 12 2.410 -4.134 -7.355 1.00 0.43 H new ATOM 0 HB2 GLN A 12 1.693 -2.615 -9.285 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.159 -1.693 -9.015 1.00 0.55 H new ATOM 0 HG2 GLN A 12 3.574 -3.270 -10.770 1.00 0.73 H new ATOM 0 HG3 GLN A 12 4.494 -3.758 -9.361 1.00 0.73 H new ATOM 0 HE21 GLN A 12 3.587 -5.551 -7.970 1.00 1.32 H new ATOM 0 HE22 GLN A 12 2.483 -6.724 -8.696 1.00 1.32 H new ATOM 192 N ASP A 13 4.973 -3.955 -7.126 1.00 0.34 N ATOM 193 CA ASP A 13 6.329 -4.004 -6.691 1.00 0.33 C ATOM 194 C ASP A 13 7.157 -2.825 -7.186 1.00 0.36 C ATOM 195 O ASP A 13 6.693 -1.698 -7.366 1.00 0.50 O ATOM 196 CB ASP A 13 6.928 -5.288 -7.277 1.00 0.35 C ATOM 197 CG ASP A 13 6.163 -6.553 -6.929 1.00 1.04 C ATOM 198 OD1 ASP A 13 4.961 -6.648 -7.262 1.00 1.03 O ATOM 199 OD2 ASP A 13 6.752 -7.457 -6.315 1.00 2.06 O ATOM 0 H ASP A 13 4.702 -4.782 -7.659 1.00 0.34 H new ATOM 0 HA ASP A 13 6.348 -3.973 -5.602 1.00 0.33 H new ATOM 0 HB2 ASP A 13 6.972 -5.192 -8.362 1.00 0.35 H new ATOM 0 HB3 ASP A 13 7.954 -5.390 -6.924 1.00 0.35 H new ATOM 204 N GLY A 14 8.392 -3.146 -7.449 1.00 0.30 N ATOM 205 CA GLY A 14 9.380 -2.169 -7.811 1.00 0.30 C ATOM 206 C GLY A 14 10.754 -2.577 -7.354 1.00 0.25 C ATOM 207 O GLY A 14 10.945 -3.068 -6.245 1.00 0.28 O ATOM 0 H GLY A 14 8.745 -4.102 -7.418 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.381 -2.034 -8.893 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.120 -1.207 -7.370 1.00 0.30 H new ATOM 211 N GLU A 15 11.699 -2.382 -8.223 1.00 0.26 N ATOM 212 CA GLU A 15 13.094 -2.650 -7.926 1.00 0.25 C ATOM 213 C GLU A 15 13.859 -1.351 -7.982 1.00 0.23 C ATOM 214 O GLU A 15 13.969 -0.733 -9.039 1.00 0.30 O ATOM 215 CB GLU A 15 13.709 -3.645 -8.910 1.00 0.33 C ATOM 216 CG GLU A 15 13.116 -5.042 -8.845 1.00 0.69 C ATOM 217 CD GLU A 15 13.969 -6.051 -9.583 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.050 -6.406 -9.067 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.567 -6.487 -10.683 1.00 1.53 O ATOM 0 H GLU A 15 11.534 -2.031 -9.166 1.00 0.26 H new ATOM 0 HA GLU A 15 13.152 -3.093 -6.932 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.587 -3.259 -9.922 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.780 -3.709 -8.720 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.014 -5.345 -7.803 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.114 -5.031 -9.273 1.00 0.69 H new ATOM 226 N VAL A 16 14.376 -0.924 -6.852 1.00 0.20 N ATOM 227 CA VAL A 16 14.983 0.334 -6.741 1.00 0.21 C ATOM 228 C VAL A 16 16.272 0.154 -6.002 1.00 0.22 C ATOM 229 O VAL A 16 16.521 -0.875 -5.397 1.00 0.27 O ATOM 230 CB VAL A 16 14.089 1.328 -5.994 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.680 1.311 -6.560 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.096 1.074 -4.485 1.00 0.23 C ATOM 0 H VAL A 16 14.374 -1.466 -5.988 1.00 0.20 H new ATOM 0 HA VAL A 16 15.155 0.741 -7.737 1.00 0.21 H new ATOM 0 HB VAL A 16 14.499 2.326 -6.146 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.061 2.024 -6.016 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.708 1.586 -7.614 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.258 0.311 -6.457 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.450 1.800 -3.991 1.00 0.23 H new ATOM 0 HG22 VAL A 16 13.731 0.067 -4.284 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.112 1.174 -4.104 1.00 0.23 H new ATOM 242 N THR A 17 17.077 1.139 -6.080 1.00 0.23 N ATOM 243 CA THR A 17 18.377 1.116 -5.454 1.00 0.27 C ATOM 244 C THR A 17 18.296 1.782 -4.089 1.00 0.28 C ATOM 245 O THR A 17 17.395 2.584 -3.837 1.00 0.28 O ATOM 246 CB THR A 17 19.407 1.857 -6.312 1.00 0.35 C ATOM 247 OG1 THR A 17 19.034 1.760 -7.693 1.00 0.77 O ATOM 248 CG2 THR A 17 20.802 1.277 -6.123 1.00 0.56 C ATOM 0 H THR A 17 16.869 2.003 -6.581 1.00 0.23 H new ATOM 0 HA THR A 17 18.689 0.077 -5.347 1.00 0.27 H new ATOM 0 HB THR A 17 19.425 2.901 -6.000 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.691 2.235 -8.243 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.511 1.824 -6.745 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.094 1.365 -5.077 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.801 0.226 -6.412 1.00 0.56 H new ATOM 256 N VAL A 18 19.225 1.435 -3.219 1.00 0.31 N ATOM 257 CA VAL A 18 19.321 2.054 -1.921 1.00 0.35 C ATOM 258 C VAL A 18 19.609 3.513 -2.089 1.00 0.36 C ATOM 259 O VAL A 18 20.697 3.937 -2.486 1.00 0.39 O ATOM 260 CB VAL A 18 20.426 1.477 -1.039 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.391 2.110 0.345 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.334 -0.029 -0.937 1.00 0.78 C ATOM 0 H VAL A 18 19.929 0.719 -3.396 1.00 0.31 H new ATOM 0 HA VAL A 18 18.366 1.866 -1.431 1.00 0.35 H new ATOM 0 HB VAL A 18 21.379 1.716 -1.510 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.186 1.686 0.959 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.536 3.187 0.256 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.426 1.911 0.812 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.138 -0.400 -0.301 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.372 -0.306 -0.506 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.426 -0.467 -1.931 1.00 0.78 H new ATOM 272 N GLY A 19 18.593 4.232 -1.820 1.00 0.38 N ATOM 273 CA GLY A 19 18.674 5.669 -1.756 1.00 0.45 C ATOM 274 C GLY A 19 18.063 6.357 -2.955 1.00 0.40 C ATOM 275 O GLY A 19 18.376 7.521 -3.219 1.00 0.48 O ATOM 0 H GLY A 19 17.664 3.855 -1.633 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.171 6.014 -0.853 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.720 5.963 -1.671 1.00 0.45 H new ATOM 279 N GLY A 20 17.209 5.664 -3.705 1.00 0.32 N ATOM 280 CA GLY A 20 16.479 6.324 -4.730 1.00 0.32 C ATOM 281 C GLY A 20 15.111 6.630 -4.260 1.00 0.30 C ATOM 282 O GLY A 20 14.895 7.308 -3.264 1.00 0.44 O ATOM 0 H GLY A 20 17.023 4.666 -3.609 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.989 7.244 -5.016 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.435 5.695 -5.619 1.00 0.32 H new ATOM 286 N SER A 21 14.205 6.125 -4.998 1.00 0.24 N ATOM 287 CA SER A 21 12.837 6.206 -4.702 1.00 0.22 C ATOM 288 C SER A 21 12.105 5.015 -5.251 1.00 0.22 C ATOM 289 O SER A 21 12.603 4.281 -6.098 1.00 0.25 O ATOM 290 CB SER A 21 12.260 7.463 -5.277 1.00 0.30 C ATOM 291 OG SER A 21 12.651 7.661 -6.629 1.00 0.82 O ATOM 0 H SER A 21 14.407 5.622 -5.862 1.00 0.24 H new ATOM 0 HA SER A 21 12.721 6.219 -3.618 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.172 7.423 -5.217 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.581 8.316 -4.679 1.00 0.30 H new ATOM 0 HG SER A 21 12.252 8.490 -6.967 1.00 0.82 H new ATOM 297 N ILE A 22 10.922 4.877 -4.757 1.00 0.22 N ATOM 298 CA ILE A 22 9.974 3.915 -5.170 1.00 0.24 C ATOM 299 C ILE A 22 8.616 4.526 -4.991 1.00 0.25 C ATOM 300 O ILE A 22 8.368 5.347 -4.110 1.00 0.27 O ATOM 301 CB ILE A 22 10.068 2.616 -4.393 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.109 1.581 -4.962 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.794 2.829 -2.916 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.353 1.219 -6.413 1.00 0.32 C ATOM 0 H ILE A 22 10.575 5.474 -4.006 1.00 0.22 H new ATOM 0 HA ILE A 22 10.168 3.654 -6.210 1.00 0.24 H new ATOM 0 HB ILE A 22 11.088 2.246 -4.495 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.175 0.675 -4.360 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.090 1.956 -4.862 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.870 1.877 -2.391 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.524 3.528 -2.508 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.791 3.235 -2.787 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.622 0.475 -6.730 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.256 2.111 -7.032 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.357 0.810 -6.522 1.00 0.32 H new ATOM 316 N THR A 23 7.771 4.141 -5.841 1.00 0.25 N ATOM 317 CA THR A 23 6.434 4.668 -5.858 1.00 0.23 C ATOM 318 C THR A 23 5.443 3.573 -6.135 1.00 0.24 C ATOM 319 O THR A 23 5.560 2.828 -7.109 1.00 0.28 O ATOM 320 CB THR A 23 6.256 5.780 -6.895 1.00 0.26 C ATOM 321 OG1 THR A 23 7.370 6.681 -6.842 1.00 0.31 O ATOM 322 CG2 THR A 23 4.957 6.550 -6.657 1.00 0.24 C ATOM 0 H THR A 23 7.962 3.446 -6.563 1.00 0.25 H new ATOM 0 HA THR A 23 6.255 5.096 -4.872 1.00 0.23 H new ATOM 0 HB THR A 23 6.207 5.320 -7.882 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.250 7.389 -7.509 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.856 7.334 -7.408 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.111 5.867 -6.729 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.977 6.999 -5.664 1.00 0.24 H new ATOM 330 N PHE A 24 4.490 3.471 -5.258 1.00 0.24 N ATOM 331 CA PHE A 24 3.395 2.558 -5.443 1.00 0.27 C ATOM 332 C PHE A 24 2.085 3.322 -5.388 1.00 0.24 C ATOM 333 O PHE A 24 1.951 4.315 -4.677 1.00 0.30 O ATOM 334 CB PHE A 24 3.371 1.469 -4.379 1.00 0.40 C ATOM 335 CG PHE A 24 4.708 0.915 -3.982 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.484 0.217 -4.882 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.159 1.052 -2.683 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.688 -0.334 -4.501 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.369 0.512 -2.296 1.00 0.51 C ATOM 340 CZ PHE A 24 7.131 -0.188 -3.204 1.00 0.49 C ATOM 0 H PHE A 24 4.446 4.015 -4.396 1.00 0.24 H new ATOM 0 HA PHE A 24 3.527 2.082 -6.415 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.885 1.868 -3.489 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.751 0.648 -4.740 1.00 0.40 H new ATOM 0 HD1 PHE A 24 5.144 0.100 -5.900 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.558 1.587 -1.963 1.00 0.43 H new ATOM 0 HE1 PHE A 24 7.284 -0.880 -5.218 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.718 0.639 -1.282 1.00 0.51 H new ATOM 0 HZ PHE A 24 8.073 -0.621 -2.901 1.00 0.49 H new ATOM 350 N SER A 25 1.143 2.856 -6.155 1.00 0.28 N ATOM 351 CA SER A 25 -0.196 3.365 -6.145 1.00 0.28 C ATOM 352 C SER A 25 -1.142 2.196 -5.930 1.00 0.27 C ATOM 353 O SER A 25 -1.044 1.162 -6.586 1.00 0.31 O ATOM 354 CB SER A 25 -0.525 4.058 -7.455 1.00 0.35 C ATOM 355 OG SER A 25 0.622 4.690 -8.007 1.00 0.58 O ATOM 0 H SER A 25 1.288 2.095 -6.819 1.00 0.28 H new ATOM 0 HA SER A 25 -0.301 4.099 -5.346 1.00 0.28 H new ATOM 0 HB2 SER A 25 -0.919 3.331 -8.165 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.307 4.799 -7.290 1.00 0.35 H new ATOM 0 HG SER A 25 0.381 5.126 -8.851 1.00 0.58 H new ATOM 361 N ALA A 26 -2.014 2.375 -4.990 1.00 0.26 N ATOM 362 CA ALA A 26 -2.957 1.344 -4.572 1.00 0.26 C ATOM 363 C ALA A 26 -4.382 1.901 -4.515 1.00 0.22 C ATOM 364 O ALA A 26 -4.639 2.893 -3.842 1.00 0.25 O ATOM 365 CB ALA A 26 -2.539 0.796 -3.219 1.00 0.32 C ATOM 0 H ALA A 26 -2.106 3.249 -4.473 1.00 0.26 H new ATOM 0 HA ALA A 26 -2.947 0.535 -5.303 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.243 0.025 -2.905 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.540 0.366 -3.293 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.533 1.602 -2.486 1.00 0.32 H new ATOM 371 N ARG A 27 -5.306 1.261 -5.216 1.00 0.22 N ATOM 372 CA ARG A 27 -6.658 1.800 -5.371 1.00 0.25 C ATOM 373 C ARG A 27 -7.703 0.907 -4.714 1.00 0.23 C ATOM 374 O ARG A 27 -7.824 -0.271 -5.060 1.00 0.31 O ATOM 375 CB ARG A 27 -6.989 1.958 -6.856 1.00 0.36 C ATOM 376 CG ARG A 27 -6.078 2.932 -7.583 1.00 0.28 C ATOM 377 CD ARG A 27 -6.293 2.894 -9.089 1.00 0.46 C ATOM 378 NE ARG A 27 -5.417 3.833 -9.791 1.00 1.22 N ATOM 379 CZ ARG A 27 -4.982 3.661 -11.041 1.00 1.55 C ATOM 380 NH1 ARG A 27 -5.408 2.639 -11.772 1.00 1.46 N ATOM 381 NH2 ARG A 27 -4.151 4.541 -11.579 1.00 2.43 N ATOM 0 H ARG A 27 -5.150 0.370 -5.687 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.682 2.771 -4.876 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -6.924 0.983 -7.340 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.021 2.295 -6.956 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.260 3.942 -7.216 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.038 2.693 -7.359 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.110 1.884 -9.456 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.333 3.131 -9.313 1.00 0.46 H new ATOM 0 HE ARG A 27 -5.120 4.672 -9.293 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.075 1.974 -11.380 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -5.068 2.518 -12.726 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -3.844 5.349 -11.038 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -3.818 4.410 -12.534 1.00 2.43 H new ATOM 395 N VAL A 28 -8.475 1.477 -3.791 1.00 0.19 N ATOM 396 CA VAL A 28 -9.522 0.752 -3.121 1.00 0.20 C ATOM 397 C VAL A 28 -10.841 1.441 -3.352 1.00 0.23 C ATOM 398 O VAL A 28 -10.978 2.652 -3.182 1.00 0.24 O ATOM 399 CB VAL A 28 -9.297 0.630 -1.607 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.281 -0.372 -1.002 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.852 0.251 -1.321 1.00 0.23 C ATOM 0 H VAL A 28 -8.384 2.449 -3.497 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.520 -0.254 -3.540 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.484 1.595 -1.136 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.109 -0.448 0.072 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.301 -0.035 -1.183 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.135 -1.349 -1.463 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.704 0.167 -0.244 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.626 -0.705 -1.794 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.189 1.019 -1.720 1.00 0.23 H new ATOM 411 N ALA A 29 -11.779 0.651 -3.784 1.00 0.29 N ATOM 412 CA ALA A 29 -13.142 1.085 -3.990 1.00 0.32 C ATOM 413 C ALA A 29 -13.720 1.641 -2.710 1.00 0.34 C ATOM 414 O ALA A 29 -13.989 0.907 -1.760 1.00 0.40 O ATOM 415 CB ALA A 29 -14.007 -0.060 -4.494 1.00 0.38 C ATOM 0 H ALA A 29 -11.622 -0.331 -4.009 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.133 1.871 -4.745 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.028 0.293 -4.641 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.610 -0.427 -5.441 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.004 -0.868 -3.762 1.00 0.38 H new ATOM 421 N GLY A 30 -13.865 2.947 -2.694 1.00 0.35 N ATOM 422 CA GLY A 30 -14.527 3.614 -1.599 1.00 0.42 C ATOM 423 C GLY A 30 -15.915 3.057 -1.388 1.00 0.50 C ATOM 424 O GLY A 30 -16.378 2.939 -0.260 1.00 0.76 O ATOM 0 H GLY A 30 -13.532 3.569 -3.430 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -13.941 3.495 -0.688 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.587 4.683 -1.802 1.00 0.42 H new ATOM 428 N ALA A 31 -16.574 2.773 -2.509 1.00 0.49 N ATOM 429 CA ALA A 31 -17.854 2.070 -2.557 1.00 0.55 C ATOM 430 C ALA A 31 -18.909 2.595 -1.580 1.00 0.64 C ATOM 431 O ALA A 31 -18.837 3.724 -1.085 1.00 0.71 O ATOM 432 CB ALA A 31 -17.590 0.603 -2.300 1.00 0.58 C ATOM 0 H ALA A 31 -16.224 3.032 -3.432 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.279 2.241 -3.546 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.531 0.053 -2.330 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.918 0.215 -3.065 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.131 0.482 -1.319 1.00 0.58 H new ATOM 438 N SER A 32 -19.928 1.773 -1.380 1.00 0.85 N ATOM 439 CA SER A 32 -20.915 1.987 -0.348 1.00 0.96 C ATOM 440 C SER A 32 -20.747 0.898 0.702 1.00 1.01 C ATOM 441 O SER A 32 -20.794 -0.289 0.373 1.00 1.69 O ATOM 442 CB SER A 32 -22.324 1.955 -0.949 1.00 1.19 C ATOM 443 OG SER A 32 -22.540 0.766 -1.700 1.00 1.74 O ATOM 0 H SER A 32 -20.089 0.934 -1.937 1.00 0.85 H new ATOM 0 HA SER A 32 -20.776 2.965 0.113 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.063 2.023 -0.151 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.467 2.824 -1.591 1.00 1.19 H new ATOM 0 HG SER A 32 -22.075 0.018 -1.269 1.00 1.74 H new ATOM 449 N LEU A 33 -20.528 1.289 1.945 1.00 0.96 N ATOM 450 CA LEU A 33 -20.188 0.348 2.986 1.00 0.93 C ATOM 451 C LEU A 33 -20.570 0.871 4.363 1.00 0.90 C ATOM 452 O LEU A 33 -21.020 2.006 4.496 1.00 0.98 O ATOM 453 CB LEU A 33 -18.696 -0.044 2.927 1.00 0.99 C ATOM 454 CG LEU A 33 -17.587 1.038 2.945 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.650 0.803 1.770 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.099 2.470 2.919 1.00 1.95 C ATOM 0 H LEU A 33 -20.581 2.259 2.255 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.772 -0.555 2.809 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.507 -0.710 3.769 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.555 -0.631 2.019 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.068 0.933 3.898 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -15.865 1.560 1.773 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.201 -0.186 1.855 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.212 0.867 0.838 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.254 3.159 2.934 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.683 2.631 2.013 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.727 2.648 3.792 1.00 1.95 H new ATOM 468 N LEU A 34 -20.397 0.028 5.376 1.00 0.87 N ATOM 469 CA LEU A 34 -20.758 0.389 6.743 1.00 0.89 C ATOM 470 C LEU A 34 -19.924 1.580 7.192 1.00 0.84 C ATOM 471 O LEU A 34 -20.439 2.557 7.736 1.00 0.95 O ATOM 472 CB LEU A 34 -20.533 -0.799 7.679 1.00 1.01 C ATOM 473 CG LEU A 34 -21.281 -0.705 9.005 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.779 -0.813 8.776 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.799 -1.778 9.965 1.00 1.47 C ATOM 0 H LEU A 34 -20.009 -0.910 5.276 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.813 0.660 6.776 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.838 -1.712 7.168 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.466 -0.889 7.883 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.075 0.267 9.454 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.299 -0.744 9.731 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.107 -0.002 8.125 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.007 -1.770 8.307 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.343 -1.696 10.906 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.974 -2.762 9.529 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.733 -1.648 10.150 1.00 1.47 H new ATOM 487 N LYS A 35 -18.631 1.477 6.956 1.00 0.76 N ATOM 488 CA LYS A 35 -17.721 2.585 7.139 1.00 0.76 C ATOM 489 C LYS A 35 -16.558 2.431 6.179 1.00 0.65 C ATOM 490 O LYS A 35 -16.275 1.311 5.748 1.00 0.75 O ATOM 491 CB LYS A 35 -17.256 2.705 8.605 1.00 0.90 C ATOM 492 CG LYS A 35 -16.833 1.403 9.282 1.00 0.92 C ATOM 493 CD LYS A 35 -15.484 0.901 8.790 1.00 0.90 C ATOM 494 CE LYS A 35 -14.810 0.002 9.820 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.694 -1.102 10.280 1.00 1.40 N ATOM 0 H LYS A 35 -18.183 0.620 6.631 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.239 3.517 6.914 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.418 3.400 8.644 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.064 3.148 9.187 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.789 1.556 10.360 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.590 0.640 9.099 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.618 0.351 7.858 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.838 1.750 8.569 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.902 -0.420 9.390 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.507 0.602 10.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -15.134 -1.795 10.816 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -16.443 -0.716 10.890 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -16.125 -1.568 9.456 1.00 1.40 H new ATOM 509 N PRO A 36 -15.901 3.548 5.809 1.00 0.65 N ATOM 510 CA PRO A 36 -14.769 3.553 4.879 1.00 0.56 C ATOM 511 C PRO A 36 -13.778 2.432 5.177 1.00 0.45 C ATOM 512 O PRO A 36 -13.428 2.202 6.337 1.00 0.47 O ATOM 513 CB PRO A 36 -14.110 4.926 5.108 1.00 0.61 C ATOM 514 CG PRO A 36 -14.848 5.548 6.247 1.00 0.88 C ATOM 515 CD PRO A 36 -16.199 4.902 6.273 1.00 0.88 C ATOM 0 HA PRO A 36 -15.090 3.392 3.850 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.051 4.817 5.342 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.177 5.546 4.214 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.321 5.386 7.187 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -14.935 6.626 6.112 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.632 4.904 7.273 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -16.907 5.411 5.618 1.00 0.88 H new ATOM 523 N PRO A 37 -13.336 1.718 4.129 1.00 0.40 N ATOM 524 CA PRO A 37 -12.418 0.577 4.245 1.00 0.35 C ATOM 525 C PRO A 37 -11.276 0.771 5.197 1.00 0.32 C ATOM 526 O PRO A 37 -10.680 1.845 5.296 1.00 0.36 O ATOM 527 CB PRO A 37 -11.858 0.478 2.850 1.00 0.40 C ATOM 528 CG PRO A 37 -13.039 0.810 2.002 1.00 0.53 C ATOM 529 CD PRO A 37 -13.696 1.964 2.712 1.00 0.47 C ATOM 0 HA PRO A 37 -12.946 -0.296 4.629 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.036 1.177 2.692 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -11.474 -0.519 2.637 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.738 1.085 0.991 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.716 -0.040 1.913 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.320 2.924 2.359 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.776 1.970 2.563 1.00 0.47 H new ATOM 537 N VAL A 38 -10.958 -0.301 5.866 1.00 0.29 N ATOM 538 CA VAL A 38 -9.739 -0.368 6.596 1.00 0.27 C ATOM 539 C VAL A 38 -8.783 -1.118 5.727 1.00 0.22 C ATOM 540 O VAL A 38 -8.818 -2.342 5.617 1.00 0.20 O ATOM 541 CB VAL A 38 -9.860 -1.111 7.923 1.00 0.31 C ATOM 542 CG1 VAL A 38 -8.631 -0.875 8.788 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.131 -0.725 8.661 1.00 0.77 C ATOM 0 H VAL A 38 -11.534 -1.141 5.916 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.420 0.646 6.838 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.920 -2.177 7.704 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -8.739 -1.414 9.729 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -7.744 -1.232 8.265 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -8.528 0.191 8.991 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.186 -1.272 9.602 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.123 0.346 8.864 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -11.997 -0.971 8.047 1.00 0.77 H new ATOM 553 N VAL A 39 -7.979 -0.362 5.083 1.00 0.22 N ATOM 554 CA VAL A 39 -6.889 -0.873 4.334 1.00 0.21 C ATOM 555 C VAL A 39 -5.649 -0.636 5.131 1.00 0.20 C ATOM 556 O VAL A 39 -5.244 0.500 5.381 1.00 0.23 O ATOM 557 CB VAL A 39 -6.697 -0.168 2.994 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.880 -1.025 2.038 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.027 0.245 2.385 1.00 0.24 C ATOM 0 H VAL A 39 -8.059 0.655 5.059 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.090 -1.926 4.136 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.134 0.747 3.177 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.758 -0.499 1.091 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.900 -1.221 2.473 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.396 -1.969 1.865 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.851 0.744 1.432 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.643 -0.639 2.224 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.541 0.927 3.062 1.00 0.24 H new ATOM 569 N LYS A 40 -5.076 -1.700 5.527 1.00 0.19 N ATOM 570 CA LYS A 40 -3.848 -1.680 6.224 1.00 0.20 C ATOM 571 C LYS A 40 -2.747 -2.107 5.316 1.00 0.19 C ATOM 572 O LYS A 40 -2.824 -3.097 4.587 1.00 0.21 O ATOM 573 CB LYS A 40 -3.902 -2.552 7.467 1.00 0.26 C ATOM 574 CG LYS A 40 -4.384 -3.968 7.206 1.00 0.31 C ATOM 575 CD LYS A 40 -3.228 -4.913 6.881 1.00 0.37 C ATOM 576 CE LYS A 40 -2.615 -5.502 8.138 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.575 -6.387 8.848 1.00 1.54 N ATOM 0 H LYS A 40 -5.453 -2.635 5.374 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.654 -0.660 6.556 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.908 -2.594 7.913 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.560 -2.084 8.199 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.919 -4.336 8.081 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.093 -3.963 6.378 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.585 -5.718 6.239 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.464 -4.374 6.321 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.721 -6.068 7.877 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.300 -4.697 8.802 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.065 -7.198 9.252 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -4.039 -5.854 9.611 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.293 -6.728 8.178 1.00 1.54 H new ATOM 591 N TRP A 41 -1.778 -1.280 5.317 1.00 0.18 N ATOM 592 CA TRP A 41 -0.543 -1.542 4.655 1.00 0.19 C ATOM 593 C TRP A 41 0.445 -2.201 5.588 1.00 0.21 C ATOM 594 O TRP A 41 0.354 -2.107 6.812 1.00 0.28 O ATOM 595 CB TRP A 41 0.042 -0.257 4.134 1.00 0.21 C ATOM 596 CG TRP A 41 -0.718 0.321 3.000 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.859 1.065 3.060 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.389 0.187 1.626 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.208 1.470 1.789 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.331 0.921 0.901 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.632 -0.470 0.942 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.289 1.013 -0.475 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.670 -0.384 -0.431 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.285 0.356 -1.126 1.00 0.33 C ATOM 0 H TRP A 41 -1.812 -0.376 5.787 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.742 -2.220 3.825 1.00 0.19 H new ATOM 0 HB2 TRP A 41 0.080 0.471 4.945 1.00 0.21 H new ATOM 0 HB3 TRP A 41 1.070 -0.436 3.819 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.404 1.300 3.962 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -2.992 2.079 1.553 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.379 -1.036 1.479 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.026 1.586 -1.019 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.449 -0.896 -0.976 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.229 0.411 -2.203 1.00 0.33 H new ATOM 615 N PHE A 42 1.376 -2.861 4.975 1.00 0.21 N ATOM 616 CA PHE A 42 2.452 -3.538 5.651 1.00 0.23 C ATOM 617 C PHE A 42 3.666 -3.259 4.820 1.00 0.26 C ATOM 618 O PHE A 42 3.641 -3.499 3.628 1.00 0.34 O ATOM 619 CB PHE A 42 2.163 -5.037 5.668 1.00 0.26 C ATOM 620 CG PHE A 42 2.967 -5.862 6.629 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.184 -6.413 6.248 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.485 -6.122 7.902 1.00 0.49 C ATOM 623 CE1 PHE A 42 4.901 -7.206 7.120 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.202 -6.910 8.778 1.00 0.62 C ATOM 625 CZ PHE A 42 4.409 -7.453 8.386 1.00 0.60 C ATOM 0 H PHE A 42 1.415 -2.950 3.960 1.00 0.21 H new ATOM 0 HA PHE A 42 2.580 -3.207 6.682 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.107 -5.178 5.897 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.326 -5.427 4.663 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.573 -6.219 5.259 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.539 -5.703 8.211 1.00 0.49 H new ATOM 0 HE1 PHE A 42 5.845 -7.632 6.813 1.00 0.50 H new ATOM 0 HE2 PHE A 42 2.819 -7.102 9.770 1.00 0.62 H new ATOM 0 HZ PHE A 42 4.969 -8.072 9.071 1.00 0.60 H new ATOM 635 N LYS A 43 4.709 -2.733 5.395 1.00 0.28 N ATOM 636 CA LYS A 43 5.847 -2.383 4.592 1.00 0.31 C ATOM 637 C LYS A 43 6.872 -3.445 4.814 1.00 0.39 C ATOM 638 O LYS A 43 7.553 -3.462 5.845 1.00 0.81 O ATOM 639 CB LYS A 43 6.418 -1.026 4.943 1.00 0.40 C ATOM 640 CG LYS A 43 7.807 -0.811 4.387 1.00 0.54 C ATOM 641 CD LYS A 43 8.230 0.623 4.523 1.00 0.67 C ATOM 642 CE LYS A 43 8.409 1.030 5.973 1.00 1.29 C ATOM 643 NZ LYS A 43 8.998 2.389 6.087 1.00 2.17 N ATOM 0 H LYS A 43 4.797 -2.540 6.393 1.00 0.28 H new ATOM 0 HA LYS A 43 5.545 -2.318 3.547 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.755 -0.249 4.562 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.445 -0.918 6.027 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.515 -1.453 4.911 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.830 -1.102 3.337 1.00 0.54 H new ATOM 0 HD2 LYS A 43 9.166 0.777 3.986 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.484 1.266 4.056 1.00 0.67 H new ATOM 0 HE2 LYS A 43 7.445 1.006 6.481 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.053 0.310 6.478 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.233 2.583 7.081 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.862 2.442 5.510 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.312 3.094 5.749 1.00 2.17 H new ATOM 657 N GLY A 44 6.970 -4.359 3.899 1.00 0.64 N ATOM 658 CA GLY A 44 7.540 -5.597 4.312 1.00 0.92 C ATOM 659 C GLY A 44 9.008 -5.745 4.184 1.00 0.39 C ATOM 660 O GLY A 44 9.556 -6.082 3.147 1.00 1.23 O ATOM 0 H GLY A 44 6.683 -4.282 2.923 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.274 -5.759 5.357 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.069 -6.394 3.736 1.00 0.92 H new ATOM 664 N LYS A 45 9.605 -5.500 5.322 1.00 0.85 N ATOM 665 CA LYS A 45 10.682 -6.279 5.847 1.00 1.06 C ATOM 666 C LYS A 45 9.996 -7.198 6.859 1.00 0.74 C ATOM 667 O LYS A 45 10.192 -8.411 6.894 1.00 0.82 O ATOM 668 CB LYS A 45 11.767 -5.377 6.494 1.00 1.67 C ATOM 669 CG LYS A 45 11.243 -4.070 7.086 1.00 2.44 C ATOM 670 CD LYS A 45 12.362 -3.064 7.345 1.00 2.82 C ATOM 671 CE LYS A 45 13.498 -3.637 8.172 1.00 2.98 C ATOM 672 NZ LYS A 45 14.576 -2.644 8.412 1.00 3.87 N ATOM 0 H LYS A 45 9.340 -4.722 5.926 1.00 0.85 H new ATOM 0 HA LYS A 45 11.221 -6.842 5.085 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.267 -5.942 7.281 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.521 -5.143 5.742 1.00 1.67 H new ATOM 0 HG2 LYS A 45 10.513 -3.632 6.405 1.00 2.44 H new ATOM 0 HG3 LYS A 45 10.722 -4.280 8.020 1.00 2.44 H new ATOM 0 HD2 LYS A 45 12.756 -2.714 6.391 1.00 2.82 H new ATOM 0 HD3 LYS A 45 11.950 -2.195 7.858 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.108 -3.986 9.128 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.914 -4.506 7.662 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.330 -3.080 8.981 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 14.967 -2.330 7.501 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.187 -1.826 8.923 1.00 3.87 H new ATOM 686 N TRP A 46 9.157 -6.534 7.668 1.00 0.58 N ATOM 687 CA TRP A 46 8.265 -7.148 8.664 1.00 0.57 C ATOM 688 C TRP A 46 7.280 -6.113 9.239 1.00 0.63 C ATOM 689 O TRP A 46 6.513 -6.389 10.164 1.00 0.74 O ATOM 690 CB TRP A 46 9.099 -7.620 9.823 1.00 0.76 C ATOM 691 CG TRP A 46 10.147 -6.615 10.177 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.333 -6.440 9.543 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.096 -5.634 11.218 1.00 1.27 C ATOM 694 NE1 TRP A 46 11.995 -5.372 10.062 1.00 1.38 N ATOM 695 CE2 TRP A 46 11.273 -4.871 11.117 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.167 -5.315 12.216 1.00 1.66 C ATOM 697 CZ2 TRP A 46 11.544 -3.806 11.971 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.441 -4.262 13.067 1.00 2.10 C ATOM 699 CH2 TRP A 46 10.619 -3.518 12.939 1.00 2.11 C ATOM 0 H TRP A 46 9.078 -5.517 7.646 1.00 0.58 H new ATOM 0 HA TRP A 46 7.721 -7.957 8.177 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.458 -7.801 10.686 1.00 0.76 H new ATOM 0 HB3 TRP A 46 9.572 -8.570 9.572 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.700 -7.061 8.739 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.883 -5.003 9.723 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.253 -5.882 12.318 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 12.451 -3.228 11.874 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 8.735 -4.009 13.844 1.00 2.10 H new ATOM 0 HH2 TRP A 46 10.803 -2.699 13.618 1.00 2.11 H new ATOM 710 N VAL A 47 7.356 -4.924 8.694 1.00 0.63 N ATOM 711 CA VAL A 47 6.897 -3.724 9.292 1.00 0.74 C ATOM 712 C VAL A 47 5.523 -3.296 8.789 1.00 0.59 C ATOM 713 O VAL A 47 4.979 -3.816 7.823 1.00 0.57 O ATOM 714 CB VAL A 47 7.982 -2.651 9.059 1.00 0.90 C ATOM 715 CG1 VAL A 47 7.536 -1.521 8.175 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.502 -2.138 10.379 1.00 1.29 C ATOM 0 H VAL A 47 7.764 -4.774 7.771 1.00 0.63 H new ATOM 0 HA VAL A 47 6.748 -3.877 10.361 1.00 0.74 H new ATOM 0 HB VAL A 47 8.791 -3.142 8.518 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.351 -0.807 8.058 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.254 -1.913 7.198 1.00 1.20 H new ATOM 0 HG13 VAL A 47 6.679 -1.022 8.627 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.266 -1.382 10.200 1.00 1.29 H new ATOM 0 HG22 VAL A 47 7.682 -1.698 10.947 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.934 -2.963 10.946 1.00 1.29 H new ATOM 726 N ASP A 48 5.023 -2.325 9.483 1.00 0.60 N ATOM 727 CA ASP A 48 3.789 -1.638 9.210 1.00 0.56 C ATOM 728 C ASP A 48 4.152 -0.287 8.644 1.00 0.58 C ATOM 729 O ASP A 48 5.229 0.207 8.916 1.00 0.96 O ATOM 730 CB ASP A 48 3.043 -1.446 10.526 1.00 0.73 C ATOM 731 CG ASP A 48 2.085 -0.274 10.511 1.00 1.88 C ATOM 732 OD1 ASP A 48 1.020 -0.364 9.870 1.00 2.73 O ATOM 733 OD2 ASP A 48 2.413 0.757 11.133 1.00 2.22 O ATOM 0 H ASP A 48 5.493 -1.962 10.312 1.00 0.60 H new ATOM 0 HA ASP A 48 3.163 -2.196 8.514 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.488 -2.356 10.756 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.767 -1.303 11.328 1.00 0.73 H new ATOM 738 N LEU A 49 3.291 0.297 7.868 1.00 0.39 N ATOM 739 CA LEU A 49 3.544 1.615 7.322 1.00 0.35 C ATOM 740 C LEU A 49 3.052 2.720 8.223 1.00 0.41 C ATOM 741 O LEU A 49 3.672 3.763 8.268 1.00 0.44 O ATOM 742 CB LEU A 49 2.891 1.798 5.963 1.00 0.29 C ATOM 743 CG LEU A 49 3.700 1.386 4.743 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.373 0.002 4.277 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.404 2.314 3.621 1.00 0.28 C ATOM 0 H LEU A 49 2.399 -0.113 7.591 1.00 0.39 H new ATOM 0 HA LEU A 49 4.628 1.681 7.229 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.959 1.233 5.957 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.627 2.850 5.854 1.00 0.29 H new ATOM 0 HG LEU A 49 4.750 1.418 5.035 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.979 -0.241 3.404 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.584 -0.710 5.075 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.317 -0.053 4.012 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.982 2.021 2.745 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.341 2.272 3.385 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.671 3.331 3.909 1.00 0.28 H new ATOM 757 N SER A 50 2.001 2.473 8.977 1.00 0.48 N ATOM 758 CA SER A 50 1.275 3.501 9.671 1.00 0.58 C ATOM 759 C SER A 50 2.209 4.262 10.584 1.00 0.62 C ATOM 760 O SER A 50 1.940 5.397 10.972 1.00 0.70 O ATOM 761 CB SER A 50 0.156 2.849 10.473 1.00 0.73 C ATOM 762 OG SER A 50 -0.479 1.828 9.717 1.00 1.23 O ATOM 0 H SER A 50 1.626 1.536 9.123 1.00 0.48 H new ATOM 0 HA SER A 50 0.847 4.206 8.958 1.00 0.58 H new ATOM 0 HB2 SER A 50 0.560 2.428 11.393 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.577 3.602 10.762 1.00 0.73 H new ATOM 0 HG SER A 50 -0.064 0.964 9.921 1.00 1.23 H new ATOM 768 N SER A 51 3.319 3.624 10.911 1.00 0.64 N ATOM 769 CA SER A 51 4.259 4.205 11.809 1.00 0.75 C ATOM 770 C SER A 51 5.393 4.912 11.071 1.00 0.72 C ATOM 771 O SER A 51 6.070 5.789 11.607 1.00 0.85 O ATOM 772 CB SER A 51 4.821 3.129 12.721 1.00 0.90 C ATOM 773 OG SER A 51 5.482 3.685 13.847 1.00 1.34 O ATOM 0 H SER A 51 3.578 2.702 10.559 1.00 0.64 H new ATOM 0 HA SER A 51 3.738 4.958 12.400 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.013 2.480 13.058 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.518 2.506 12.161 1.00 0.90 H new ATOM 0 HG SER A 51 5.829 2.963 14.412 1.00 1.34 H new ATOM 779 N LYS A 52 5.589 4.501 9.843 1.00 0.62 N ATOM 780 CA LYS A 52 6.727 4.916 9.047 1.00 0.66 C ATOM 781 C LYS A 52 6.324 5.908 7.964 1.00 0.67 C ATOM 782 O LYS A 52 7.168 6.530 7.318 1.00 1.09 O ATOM 783 CB LYS A 52 7.342 3.698 8.382 1.00 0.65 C ATOM 784 CG LYS A 52 6.889 2.349 8.913 1.00 0.70 C ATOM 785 CD LYS A 52 7.166 2.125 10.399 1.00 0.78 C ATOM 786 CE LYS A 52 8.648 2.017 10.707 1.00 1.02 C ATOM 787 NZ LYS A 52 8.895 1.863 12.164 1.00 1.40 N ATOM 0 H LYS A 52 4.959 3.862 9.359 1.00 0.62 H new ATOM 0 HA LYS A 52 7.442 5.401 9.712 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.119 3.740 7.316 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.425 3.761 8.484 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.818 2.245 8.737 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.384 1.564 8.342 1.00 0.70 H new ATOM 0 HD2 LYS A 52 6.739 2.948 10.972 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.664 1.214 10.725 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.070 1.165 10.174 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.162 2.907 10.343 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.918 1.792 12.337 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 8.515 2.688 12.670 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 8.426 1.000 12.506 1.00 1.40 H new ATOM 801 N VAL A 53 5.034 5.961 7.743 1.00 0.34 N ATOM 802 CA VAL A 53 4.394 6.851 6.814 1.00 0.32 C ATOM 803 C VAL A 53 4.692 8.287 7.177 1.00 0.33 C ATOM 804 O VAL A 53 4.013 8.927 7.981 1.00 0.37 O ATOM 805 CB VAL A 53 2.882 6.562 6.778 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.096 7.615 6.016 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.647 5.213 6.153 1.00 0.35 C ATOM 0 H VAL A 53 4.373 5.355 8.230 1.00 0.34 H new ATOM 0 HA VAL A 53 4.788 6.684 5.811 1.00 0.32 H new ATOM 0 HB VAL A 53 2.526 6.580 7.808 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.037 7.356 6.026 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.236 8.587 6.489 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.450 7.658 4.986 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.577 5.006 6.126 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.043 5.209 5.137 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.150 4.446 6.742 1.00 0.35 H new ATOM 817 N GLY A 54 5.776 8.729 6.607 1.00 0.35 N ATOM 818 CA GLY A 54 6.262 10.072 6.827 1.00 0.41 C ATOM 819 C GLY A 54 6.984 10.644 5.625 1.00 0.44 C ATOM 820 O GLY A 54 6.611 10.379 4.487 1.00 0.70 O ATOM 0 H GLY A 54 6.352 8.173 5.975 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.423 10.719 7.082 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.936 10.073 7.683 1.00 0.41 H new ATOM 824 N GLN A 55 8.049 11.394 5.880 1.00 0.36 N ATOM 825 CA GLN A 55 8.726 12.160 4.836 1.00 0.43 C ATOM 826 C GLN A 55 9.421 11.275 3.801 1.00 0.39 C ATOM 827 O GLN A 55 9.659 11.713 2.679 1.00 0.50 O ATOM 828 CB GLN A 55 9.740 13.116 5.456 1.00 0.61 C ATOM 829 CG GLN A 55 9.126 14.117 6.414 1.00 1.43 C ATOM 830 CD GLN A 55 10.141 15.131 6.909 1.00 2.08 C ATOM 831 OE1 GLN A 55 10.318 16.189 6.307 1.00 2.75 O ATOM 832 NE2 GLN A 55 10.824 14.811 7.999 1.00 2.69 N ATOM 0 H GLN A 55 8.466 11.490 6.806 1.00 0.36 H new ATOM 0 HA GLN A 55 7.952 12.722 4.312 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.496 12.536 5.985 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.252 13.656 4.659 1.00 0.61 H new ATOM 0 HG2 GLN A 55 8.307 14.637 5.918 1.00 1.43 H new ATOM 0 HG3 GLN A 55 8.698 13.588 7.265 1.00 1.43 H new ATOM 0 HE21 GLN A 55 10.647 13.923 8.469 1.00 2.69 H new ATOM 0 HE22 GLN A 55 11.526 15.452 8.367 1.00 2.69 H new ATOM 841 N HIS A 56 9.745 10.037 4.157 1.00 0.36 N ATOM 842 CA HIS A 56 10.432 9.153 3.211 1.00 0.41 C ATOM 843 C HIS A 56 9.460 8.160 2.575 1.00 0.35 C ATOM 844 O HIS A 56 9.551 7.851 1.397 1.00 0.42 O ATOM 845 CB HIS A 56 11.604 8.429 3.892 1.00 0.54 C ATOM 846 CG HIS A 56 11.260 7.167 4.632 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.337 7.102 5.655 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.722 5.909 4.470 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.240 5.858 6.078 1.00 1.11 C ATOM 850 NE2 HIS A 56 11.081 5.106 5.384 1.00 1.33 N ATOM 0 H HIS A 56 9.551 9.626 5.070 1.00 0.36 H new ATOM 0 HA HIS A 56 10.840 9.770 2.410 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.348 8.189 3.132 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.074 9.120 4.592 1.00 0.54 H new ATOM 0 HD2 HIS A 56 12.462 5.590 3.751 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.583 5.509 6.861 1.00 1.11 H new ATOM 0 HE2 HIS A 56 11.228 4.104 5.506 1.00 1.33 H new ATOM 859 N LEU A 57 8.532 7.686 3.372 1.00 0.28 N ATOM 860 CA LEU A 57 7.438 6.851 2.906 1.00 0.25 C ATOM 861 C LEU A 57 6.176 7.581 3.260 1.00 0.23 C ATOM 862 O LEU A 57 5.750 7.543 4.393 1.00 0.29 O ATOM 863 CB LEU A 57 7.515 5.475 3.645 1.00 0.38 C ATOM 864 CG LEU A 57 6.394 4.406 3.538 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.125 4.888 2.862 1.00 1.11 C ATOM 866 CD2 LEU A 57 6.937 3.160 2.885 1.00 1.10 C ATOM 0 H LEU A 57 8.511 7.869 4.375 1.00 0.28 H new ATOM 0 HA LEU A 57 7.479 6.662 1.833 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.436 4.995 3.315 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.634 5.697 4.706 1.00 0.38 H new ATOM 0 HG LEU A 57 6.085 4.179 4.558 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.398 4.076 2.831 1.00 1.11 H new ATOM 0 HD12 LEU A 57 4.710 5.726 3.422 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.353 5.209 1.846 1.00 1.11 H new ATOM 0 HD21 LEU A 57 6.146 2.413 2.812 1.00 1.10 H new ATOM 0 HD22 LEU A 57 7.301 3.402 1.886 1.00 1.10 H new ATOM 0 HD23 LEU A 57 7.757 2.763 3.484 1.00 1.10 H new ATOM 878 N GLN A 58 5.570 8.215 2.296 1.00 0.20 N ATOM 879 CA GLN A 58 4.262 8.711 2.471 1.00 0.21 C ATOM 880 C GLN A 58 3.334 7.669 1.945 1.00 0.18 C ATOM 881 O GLN A 58 3.325 7.358 0.762 1.00 0.19 O ATOM 882 CB GLN A 58 4.043 10.004 1.690 1.00 0.27 C ATOM 883 CG GLN A 58 5.036 11.110 1.989 1.00 0.46 C ATOM 884 CD GLN A 58 6.296 11.050 1.148 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.350 11.607 0.052 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.320 10.408 1.664 1.00 0.28 N ATOM 0 H GLN A 58 5.977 8.394 1.378 1.00 0.20 H new ATOM 0 HA GLN A 58 4.089 8.928 3.525 1.00 0.21 H new ATOM 0 HB2 GLN A 58 4.084 9.778 0.624 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.039 10.372 1.900 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.551 12.073 1.830 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.312 11.062 3.042 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.234 9.959 2.576 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.201 10.358 1.152 1.00 0.28 H new ATOM 895 N LEU A 59 2.578 7.138 2.832 1.00 0.20 N ATOM 896 CA LEU A 59 1.464 6.318 2.476 1.00 0.20 C ATOM 897 C LEU A 59 0.278 7.253 2.554 1.00 0.21 C ATOM 898 O LEU A 59 -0.305 7.472 3.612 1.00 0.23 O ATOM 899 CB LEU A 59 1.344 5.117 3.448 1.00 0.23 C ATOM 900 CG LEU A 59 0.447 3.948 3.059 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.203 3.137 4.310 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.846 4.414 2.420 1.00 0.23 C ATOM 0 H LEU A 59 2.709 7.256 3.837 1.00 0.20 H new ATOM 0 HA LEU A 59 1.551 5.872 1.485 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.347 4.723 3.613 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.991 5.500 4.405 1.00 0.23 H new ATOM 0 HG LEU A 59 0.934 3.333 2.302 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.437 2.287 4.074 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.154 2.777 4.701 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.284 3.761 5.059 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.455 3.549 2.158 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.393 5.044 3.122 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.621 4.985 1.519 1.00 0.23 H new ATOM 914 N HIS A 60 -0.010 7.854 1.422 1.00 0.22 N ATOM 915 CA HIS A 60 -1.059 8.800 1.289 1.00 0.25 C ATOM 916 C HIS A 60 -2.320 8.112 0.917 1.00 0.24 C ATOM 917 O HIS A 60 -2.339 6.976 0.473 1.00 0.26 O ATOM 918 CB HIS A 60 -0.749 9.868 0.244 1.00 0.37 C ATOM 919 CG HIS A 60 0.165 10.950 0.720 1.00 0.79 C ATOM 920 ND1 HIS A 60 0.633 11.953 -0.104 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.677 11.203 1.945 1.00 1.65 C ATOM 922 CE1 HIS A 60 1.393 12.774 0.596 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.434 12.341 1.841 1.00 2.03 N ATOM 0 H HIS A 60 0.500 7.684 0.555 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.165 9.294 2.255 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.302 9.388 -0.627 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.685 10.319 -0.086 1.00 0.37 H new ATOM 0 HD2 HIS A 60 0.519 10.618 2.839 1.00 1.65 H new ATOM 0 HE1 HIS A 60 1.895 13.651 0.215 1.00 1.91 H new ATOM 0 HE2 HIS A 60 1.947 12.782 2.604 1.00 2.03 H new ATOM 932 N ASP A 61 -3.344 8.833 1.130 1.00 0.29 N ATOM 933 CA ASP A 61 -4.675 8.414 0.866 1.00 0.32 C ATOM 934 C ASP A 61 -5.415 9.496 0.143 1.00 0.35 C ATOM 935 O ASP A 61 -5.706 10.570 0.671 1.00 0.48 O ATOM 936 CB ASP A 61 -5.424 8.040 2.125 1.00 0.44 C ATOM 937 CG ASP A 61 -5.326 9.069 3.246 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.188 9.462 3.589 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.370 9.491 3.786 1.00 0.92 O ATOM 0 H ASP A 61 -3.285 9.777 1.511 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.614 7.520 0.245 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.475 7.890 1.877 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.043 7.086 2.490 1.00 0.44 H new ATOM 944 N SER A 62 -5.675 9.193 -1.082 1.00 0.29 N ATOM 945 CA SER A 62 -6.440 10.059 -1.946 1.00 0.32 C ATOM 946 C SER A 62 -7.883 9.652 -1.905 1.00 0.32 C ATOM 947 O SER A 62 -8.258 8.573 -2.355 1.00 0.41 O ATOM 948 CB SER A 62 -5.930 10.030 -3.377 1.00 0.40 C ATOM 949 OG SER A 62 -4.528 10.236 -3.427 1.00 0.47 O ATOM 0 H SER A 62 -5.364 8.330 -1.528 1.00 0.29 H new ATOM 0 HA SER A 62 -6.330 11.081 -1.584 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.176 9.071 -3.834 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.434 10.800 -3.961 1.00 0.40 H new ATOM 0 HG SER A 62 -4.227 10.211 -4.359 1.00 0.47 H new ATOM 955 N TYR A 63 -8.681 10.514 -1.345 1.00 0.38 N ATOM 956 CA TYR A 63 -10.074 10.234 -1.173 1.00 0.45 C ATOM 957 C TYR A 63 -10.879 10.954 -2.212 1.00 0.47 C ATOM 958 O TYR A 63 -11.163 12.149 -2.111 1.00 0.54 O ATOM 959 CB TYR A 63 -10.522 10.568 0.242 1.00 0.64 C ATOM 960 CG TYR A 63 -12.015 10.736 0.426 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.890 9.691 0.182 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.544 11.950 0.844 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.250 9.844 0.353 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.902 12.111 1.018 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.751 11.056 0.770 1.00 1.07 C ATOM 966 OH TYR A 63 -16.106 11.214 0.938 1.00 1.39 O ATOM 0 H TYR A 63 -8.385 11.426 -0.997 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.243 9.166 -1.312 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.177 9.779 0.910 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.028 11.488 0.554 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.501 8.739 -0.148 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.881 12.781 1.036 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.918 9.017 0.161 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.298 13.060 1.347 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.294 12.128 1.237 1.00 1.39 H new ATOM 976 N ASP A 64 -11.202 10.208 -3.231 1.00 0.47 N ATOM 977 CA ASP A 64 -12.000 10.692 -4.303 1.00 0.57 C ATOM 978 C ASP A 64 -13.312 9.960 -4.310 1.00 0.57 C ATOM 979 O ASP A 64 -13.381 8.781 -4.636 1.00 0.63 O ATOM 980 CB ASP A 64 -11.290 10.462 -5.603 1.00 0.71 C ATOM 981 CG ASP A 64 -10.164 11.446 -5.869 1.00 1.53 C ATOM 982 OD1 ASP A 64 -9.078 11.278 -5.275 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.357 12.392 -6.666 1.00 2.00 O ATOM 0 H ASP A 64 -10.911 9.236 -3.334 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.176 11.760 -4.175 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -10.885 9.450 -5.611 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.013 10.523 -6.417 1.00 0.71 H new ATOM 988 N ARG A 65 -14.335 10.649 -3.910 1.00 0.60 N ATOM 989 CA ARG A 65 -15.664 10.091 -3.867 1.00 0.64 C ATOM 990 C ARG A 65 -16.314 10.129 -5.239 1.00 0.74 C ATOM 991 O ARG A 65 -17.094 9.248 -5.594 1.00 0.88 O ATOM 992 CB ARG A 65 -16.515 10.845 -2.858 1.00 0.74 C ATOM 993 CG ARG A 65 -17.197 9.906 -1.908 1.00 0.86 C ATOM 994 CD ARG A 65 -18.106 8.953 -2.666 1.00 1.00 C ATOM 995 NE ARG A 65 -19.493 9.409 -2.697 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.272 9.384 -3.780 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.769 9.041 -4.961 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.550 9.732 -3.680 1.00 2.07 N ATOM 0 H ARG A 65 -14.279 11.620 -3.601 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.588 9.049 -3.558 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -15.889 11.540 -2.299 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.262 11.441 -3.383 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.452 9.340 -1.348 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.779 10.473 -1.181 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.740 8.842 -3.687 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.061 7.967 -2.203 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.894 9.771 -1.832 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.783 8.795 -5.043 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.369 9.024 -5.785 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.932 10.017 -2.778 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.149 9.714 -4.505 1.00 2.07 H new ATOM 1012 N ALA A 66 -15.970 11.151 -5.995 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.466 11.320 -7.358 1.00 0.93 C ATOM 1014 C ALA A 66 -15.943 10.209 -8.258 1.00 0.83 C ATOM 1015 O ALA A 66 -16.505 9.919 -9.312 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.078 12.691 -7.902 1.00 1.15 C ATOM 0 H ALA A 66 -15.339 11.891 -5.688 1.00 0.80 H new ATOM 0 HA ALA A 66 -17.554 11.258 -7.341 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.456 12.799 -8.919 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -16.508 13.468 -7.270 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -14.992 12.787 -7.906 1.00 1.15 H new ATOM 1022 N SER A 67 -14.865 9.587 -7.820 1.00 0.72 N ATOM 1023 CA SER A 67 -14.321 8.434 -8.500 1.00 0.72 C ATOM 1024 C SER A 67 -14.583 7.202 -7.655 1.00 0.58 C ATOM 1025 O SER A 67 -14.541 6.074 -8.145 1.00 0.63 O ATOM 1026 CB SER A 67 -12.825 8.620 -8.739 1.00 0.83 C ATOM 1027 OG SER A 67 -12.572 9.808 -9.469 1.00 1.41 O ATOM 0 H SER A 67 -14.346 9.867 -6.987 1.00 0.72 H new ATOM 0 HA SER A 67 -14.801 8.314 -9.471 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.302 8.658 -7.783 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.431 7.763 -9.284 1.00 0.83 H new ATOM 0 HG SER A 67 -11.607 9.907 -9.609 1.00 1.41 H new ATOM 1033 N LYS A 68 -14.866 7.453 -6.372 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.187 6.410 -5.411 1.00 0.50 C ATOM 1035 C LYS A 68 -13.993 5.476 -5.237 1.00 0.44 C ATOM 1036 O LYS A 68 -14.134 4.275 -5.006 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.430 5.666 -5.884 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.044 4.712 -4.874 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.704 5.419 -3.684 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.691 5.911 -2.649 1.00 2.27 C ATOM 1041 NZ LYS A 68 -17.273 5.995 -1.272 1.00 3.31 N ATOM 0 H LYS A 68 -14.877 8.393 -5.976 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.401 6.846 -4.435 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.184 6.399 -6.171 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.176 5.103 -6.782 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -17.788 4.094 -5.376 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.269 4.041 -4.503 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.285 6.266 -4.048 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.404 4.735 -3.204 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -15.833 5.239 -2.637 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.322 6.893 -2.945 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -16.542 6.317 -0.605 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.065 6.669 -1.270 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -17.617 5.057 -0.983 1.00 3.31 H new ATOM 1055 N VAL A 69 -12.813 6.062 -5.300 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.580 5.337 -5.146 1.00 0.31 C ATOM 1057 C VAL A 69 -10.736 6.048 -4.125 1.00 0.29 C ATOM 1058 O VAL A 69 -10.570 7.268 -4.171 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.752 5.249 -6.442 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.682 4.179 -6.315 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.626 4.999 -7.664 1.00 0.43 C ATOM 0 H VAL A 69 -12.689 7.062 -5.461 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.847 4.323 -4.849 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.268 6.215 -6.588 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.106 4.129 -7.239 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.018 4.425 -5.486 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.153 3.214 -6.129 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.000 4.944 -8.554 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.164 4.059 -7.540 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.341 5.814 -7.773 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.247 5.292 -3.192 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.278 5.784 -2.261 1.00 0.25 C ATOM 1073 C TYR A 70 -7.949 5.282 -2.723 1.00 0.22 C ATOM 1074 O TYR A 70 -7.637 4.092 -2.644 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.538 5.331 -0.832 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.971 5.532 -0.370 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.829 6.397 -1.036 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.464 4.847 0.734 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.135 6.574 -0.608 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.759 5.019 1.166 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.598 5.922 0.459 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.892 6.047 0.933 1.00 0.93 O ATOM 0 H TYR A 70 -10.508 4.316 -3.054 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.324 6.873 -2.238 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.284 4.275 -0.745 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.872 5.875 -0.163 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.474 6.939 -1.900 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.816 4.165 1.265 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.786 7.248 -1.145 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.130 4.479 2.025 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.008 5.477 1.722 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.197 6.187 -3.253 1.00 0.20 N ATOM 1093 CA LEU A 71 -5.923 5.865 -3.812 1.00 0.19 C ATOM 1094 C LEU A 71 -4.877 6.133 -2.781 1.00 0.20 C ATOM 1095 O LEU A 71 -4.517 7.273 -2.492 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.631 6.664 -5.089 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.181 6.574 -5.583 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.764 5.126 -5.788 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.996 7.371 -6.862 1.00 0.52 C ATOM 0 H LEU A 71 -7.447 7.174 -3.312 1.00 0.20 H new ATOM 0 HA LEU A 71 -5.922 4.813 -4.096 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.293 6.313 -5.881 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.876 7.711 -4.910 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.538 7.006 -4.816 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.732 5.091 -6.138 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.846 4.587 -4.844 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.415 4.661 -6.529 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.960 7.292 -7.193 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.655 6.976 -7.635 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.239 8.417 -6.677 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.408 5.070 -2.228 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.326 5.120 -1.321 1.00 0.21 C ATOM 1113 C PHE A 72 -2.058 5.137 -2.129 1.00 0.23 C ATOM 1114 O PHE A 72 -1.706 4.188 -2.828 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.376 3.939 -0.379 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.577 3.926 0.521 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.753 3.320 0.120 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.528 4.524 1.769 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -6.861 3.309 0.949 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.627 4.517 2.601 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.804 3.898 2.180 1.00 0.30 C ATOM 0 H PHE A 72 -4.772 4.132 -2.398 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.375 6.016 -0.702 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.364 3.020 -0.964 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.475 3.938 0.235 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -5.808 2.850 -0.851 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.616 5.002 2.095 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.774 2.833 0.622 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.577 4.987 3.572 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.669 3.884 2.827 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.408 6.245 -2.027 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.230 6.530 -2.807 1.00 0.26 C ATOM 1133 C GLU A 73 0.966 6.450 -1.923 1.00 0.20 C ATOM 1134 O GLU A 73 1.106 7.205 -0.961 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.230 7.923 -3.415 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.588 8.460 -3.822 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.501 9.905 -4.260 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -1.189 10.769 -3.417 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -1.771 10.183 -5.448 1.00 1.09 O ATOM 0 H GLU A 73 -1.676 6.997 -1.392 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.214 5.799 -3.615 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.214 8.613 -2.697 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.416 7.917 -4.293 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.991 7.856 -4.634 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.281 8.373 -2.985 1.00 0.59 H new ATOM 1146 N LEU A 74 1.823 5.558 -2.264 1.00 0.21 N ATOM 1147 CA LEU A 74 3.076 5.441 -1.612 1.00 0.21 C ATOM 1148 C LEU A 74 4.026 6.335 -2.312 1.00 0.20 C ATOM 1149 O LEU A 74 4.256 6.226 -3.515 1.00 0.25 O ATOM 1150 CB LEU A 74 3.640 4.036 -1.668 1.00 0.27 C ATOM 1151 CG LEU A 74 2.930 3.004 -0.803 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.091 3.367 0.660 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.461 2.906 -1.174 1.00 0.96 C ATOM 0 H LEU A 74 1.673 4.881 -3.012 1.00 0.21 H new ATOM 0 HA LEU A 74 2.935 5.702 -0.563 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.614 3.695 -2.703 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.688 4.073 -1.371 1.00 0.27 H new ATOM 0 HG LEU A 74 3.382 2.028 -0.978 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.582 2.627 1.277 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.150 3.386 0.916 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.657 4.350 0.841 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.975 2.162 -0.542 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.983 3.875 -1.027 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.369 2.611 -2.219 1.00 0.96 H new ATOM 1165 N HIS A 75 4.569 7.203 -1.562 1.00 0.18 N ATOM 1166 CA HIS A 75 5.641 8.001 -2.052 1.00 0.19 C ATOM 1167 C HIS A 75 6.780 7.659 -1.178 1.00 0.19 C ATOM 1168 O HIS A 75 6.926 8.175 -0.075 1.00 0.19 O ATOM 1169 CB HIS A 75 5.318 9.493 -2.014 1.00 0.23 C ATOM 1170 CG HIS A 75 4.462 9.937 -3.157 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.091 10.069 -3.076 1.00 1.01 N ATOM 1172 CD2 HIS A 75 4.795 10.263 -4.427 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.622 10.459 -4.249 1.00 0.88 C ATOM 1174 NE2 HIS A 75 3.636 10.583 -5.084 1.00 0.94 N ATOM 0 H HIS A 75 4.296 7.390 -0.597 1.00 0.18 H new ATOM 0 HA HIS A 75 5.852 7.799 -3.102 1.00 0.19 H new ATOM 0 HB2 HIS A 75 4.812 9.725 -1.077 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.249 10.061 -2.023 1.00 0.23 H new ATOM 0 HD2 HIS A 75 5.791 10.270 -4.846 1.00 1.15 H new ATOM 0 HE1 HIS A 75 1.584 10.645 -4.484 1.00 0.88 H new ATOM 0 HE2 HIS A 75 3.568 10.870 -6.060 1.00 0.94 H new ATOM 1183 N ILE A 76 7.563 6.747 -1.660 1.00 0.21 N ATOM 1184 CA ILE A 76 8.598 6.205 -0.854 1.00 0.23 C ATOM 1185 C ILE A 76 9.921 6.408 -1.510 1.00 0.25 C ATOM 1186 O ILE A 76 10.325 5.708 -2.416 1.00 0.28 O ATOM 1187 CB ILE A 76 8.358 4.731 -0.616 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.939 4.517 -0.103 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.395 4.153 0.346 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.515 3.070 -0.165 1.00 0.52 C ATOM 0 H ILE A 76 7.502 6.366 -2.604 1.00 0.21 H new ATOM 0 HA ILE A 76 8.598 6.721 0.106 1.00 0.23 H new ATOM 0 HB ILE A 76 8.468 4.198 -1.561 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.871 4.868 0.927 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.248 5.120 -0.692 1.00 0.29 H new ATOM 0 HG21 ILE A 76 9.198 3.092 0.499 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.392 4.280 -0.075 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.335 4.674 1.301 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.497 2.973 0.212 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.554 2.723 -1.198 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.187 2.467 0.446 1.00 0.52 H new ATOM 1202 N THR A 77 10.585 7.369 -1.025 1.00 0.24 N ATOM 1203 CA THR A 77 11.857 7.697 -1.495 1.00 0.26 C ATOM 1204 C THR A 77 12.831 7.354 -0.434 1.00 0.36 C ATOM 1205 O THR A 77 12.630 7.630 0.752 1.00 0.58 O ATOM 1206 CB THR A 77 11.965 9.169 -1.859 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.810 9.983 -0.688 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.894 9.510 -2.863 1.00 0.37 C ATOM 0 H THR A 77 10.250 7.966 -0.269 1.00 0.24 H new ATOM 0 HA THR A 77 12.062 7.135 -2.406 1.00 0.26 H new ATOM 0 HB THR A 77 12.948 9.362 -2.289 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.883 10.929 -0.935 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.966 10.565 -3.128 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.027 8.901 -3.757 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.913 9.311 -2.431 1.00 0.37 H new ATOM 1216 N ASP A 78 13.848 6.738 -0.908 1.00 0.30 N ATOM 1217 CA ASP A 78 14.933 6.243 -0.092 1.00 0.45 C ATOM 1218 C ASP A 78 14.488 5.036 0.676 1.00 0.45 C ATOM 1219 O ASP A 78 13.802 5.085 1.701 1.00 0.70 O ATOM 1220 CB ASP A 78 15.477 7.315 0.805 1.00 0.61 C ATOM 1221 CG ASP A 78 16.411 6.815 1.892 1.00 1.44 C ATOM 1222 OD1 ASP A 78 15.928 6.411 2.971 1.00 2.12 O ATOM 1223 OD2 ASP A 78 17.641 6.873 1.681 1.00 1.97 O ATOM 0 H ASP A 78 13.969 6.550 -1.903 1.00 0.30 H new ATOM 0 HA ASP A 78 15.752 5.942 -0.745 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.008 8.046 0.195 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.642 7.837 1.273 1.00 0.61 H new ATOM 1228 N ALA A 79 14.846 3.965 0.076 1.00 0.37 N ATOM 1229 CA ALA A 79 14.554 2.640 0.569 1.00 0.34 C ATOM 1230 C ALA A 79 15.785 2.045 1.205 1.00 0.38 C ATOM 1231 O ALA A 79 16.843 1.955 0.579 1.00 0.40 O ATOM 1232 CB ALA A 79 14.056 1.740 -0.552 1.00 0.34 C ATOM 0 H ALA A 79 15.368 3.967 -0.801 1.00 0.37 H new ATOM 0 HA ALA A 79 13.766 2.718 1.318 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.843 0.748 -0.155 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.147 2.162 -0.981 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.821 1.665 -1.325 1.00 0.34 H new ATOM 1238 N GLN A 80 15.643 1.675 2.460 1.00 0.47 N ATOM 1239 CA GLN A 80 16.684 0.966 3.168 1.00 0.55 C ATOM 1240 C GLN A 80 16.908 -0.396 2.518 1.00 0.43 C ATOM 1241 O GLN A 80 15.943 -1.072 2.163 1.00 0.43 O ATOM 1242 CB GLN A 80 16.278 0.790 4.633 1.00 0.74 C ATOM 1243 CG GLN A 80 17.110 -0.249 5.365 1.00 0.78 C ATOM 1244 CD GLN A 80 17.757 0.289 6.624 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.200 0.179 7.714 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.926 0.896 6.475 1.00 1.43 N ATOM 0 H GLN A 80 14.807 1.857 3.015 1.00 0.47 H new ATOM 0 HA GLN A 80 17.611 1.537 3.122 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.371 1.747 5.146 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.227 0.503 4.680 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.476 -1.097 5.623 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.885 -0.622 4.696 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.351 0.964 5.550 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.400 1.295 7.285 1.00 1.43 H new ATOM 1255 N PRO A 81 18.177 -0.824 2.364 1.00 0.42 N ATOM 1256 CA PRO A 81 18.524 -2.114 1.744 1.00 0.44 C ATOM 1257 C PRO A 81 17.957 -3.301 2.515 1.00 0.54 C ATOM 1258 O PRO A 81 17.992 -4.438 2.050 1.00 1.33 O ATOM 1259 CB PRO A 81 20.054 -2.140 1.778 1.00 0.50 C ATOM 1260 CG PRO A 81 20.428 -1.154 2.827 1.00 0.57 C ATOM 1261 CD PRO A 81 19.379 -0.085 2.777 1.00 0.49 C ATOM 0 HA PRO A 81 18.109 -2.199 0.740 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.427 -3.135 2.020 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.476 -1.867 0.811 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.461 -1.623 3.810 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.418 -0.739 2.638 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.245 0.395 3.746 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.635 0.700 2.065 1.00 0.49 H new ATOM 1269 N ALA A 82 17.419 -3.021 3.690 1.00 0.81 N ATOM 1270 CA ALA A 82 16.854 -4.051 4.533 1.00 0.88 C ATOM 1271 C ALA A 82 15.332 -3.992 4.540 1.00 0.77 C ATOM 1272 O ALA A 82 14.693 -4.547 5.433 1.00 0.91 O ATOM 1273 CB ALA A 82 17.404 -3.932 5.946 1.00 1.12 C ATOM 0 H ALA A 82 17.363 -2.080 4.081 1.00 0.81 H new ATOM 0 HA ALA A 82 17.142 -5.019 4.124 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.971 -4.713 6.572 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.488 -4.043 5.925 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.147 -2.955 6.355 1.00 1.12 H new ATOM 1279 N PHE A 83 14.740 -3.311 3.556 1.00 0.64 N ATOM 1280 CA PHE A 83 13.302 -3.331 3.402 1.00 0.68 C ATOM 1281 C PHE A 83 12.914 -4.542 2.590 1.00 0.76 C ATOM 1282 O PHE A 83 12.190 -5.400 3.079 1.00 1.24 O ATOM 1283 CB PHE A 83 12.828 -2.056 2.692 1.00 0.74 C ATOM 1284 CG PHE A 83 12.511 -0.880 3.586 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.146 -1.063 4.910 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.555 0.416 3.087 1.00 0.75 C ATOM 1287 CE1 PHE A 83 11.833 0.015 5.716 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.244 1.498 3.893 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.885 1.293 5.207 1.00 0.88 C ATOM 0 H PHE A 83 15.237 -2.748 2.866 1.00 0.64 H new ATOM 0 HA PHE A 83 12.832 -3.377 4.384 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.598 -1.751 1.983 1.00 0.74 H new ATOM 0 HB3 PHE A 83 11.937 -2.297 2.112 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.106 -2.062 5.318 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.835 0.582 2.057 1.00 0.75 H new ATOM 0 HE1 PHE A 83 11.548 -0.145 6.745 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.283 2.500 3.492 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.644 2.136 5.838 1.00 0.88 H new ATOM 1299 N THR A 84 13.508 -4.650 1.399 1.00 0.55 N ATOM 1300 CA THR A 84 12.994 -5.485 0.339 1.00 0.58 C ATOM 1301 C THR A 84 11.483 -5.591 0.491 1.00 0.80 C ATOM 1302 O THR A 84 10.902 -6.651 0.721 1.00 1.22 O ATOM 1303 CB THR A 84 13.692 -6.832 0.345 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.102 -6.633 0.172 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.170 -7.743 -0.759 1.00 1.17 C ATOM 0 H THR A 84 14.364 -4.153 1.153 1.00 0.55 H new ATOM 0 HA THR A 84 13.199 -5.044 -0.636 1.00 0.58 H new ATOM 0 HB THR A 84 13.489 -7.315 1.301 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.558 -7.501 0.177 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.695 -8.698 -0.721 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.102 -7.910 -0.618 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.339 -7.274 -1.728 1.00 1.17 H new ATOM 1313 N GLY A 85 10.889 -4.424 0.340 1.00 0.87 N ATOM 1314 CA GLY A 85 9.579 -4.138 0.843 1.00 1.43 C ATOM 1315 C GLY A 85 8.496 -4.909 0.183 1.00 0.96 C ATOM 1316 O GLY A 85 7.923 -4.509 -0.819 1.00 1.29 O ATOM 0 H GLY A 85 11.320 -3.638 -0.147 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.559 -4.346 1.913 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.379 -3.073 0.721 1.00 1.43 H new ATOM 1320 N GLY A 86 8.222 -6.008 0.771 1.00 0.52 N ATOM 1321 CA GLY A 86 7.072 -6.761 0.422 1.00 0.52 C ATOM 1322 C GLY A 86 5.905 -6.198 1.161 1.00 0.40 C ATOM 1323 O GLY A 86 5.565 -6.616 2.267 1.00 0.43 O ATOM 0 H GLY A 86 8.789 -6.418 1.513 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.899 -6.715 -0.653 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.213 -7.811 0.678 1.00 0.52 H new ATOM 1327 N TYR A 87 5.363 -5.174 0.577 1.00 0.34 N ATOM 1328 CA TYR A 87 4.277 -4.447 1.174 1.00 0.28 C ATOM 1329 C TYR A 87 3.009 -5.272 1.050 1.00 0.30 C ATOM 1330 O TYR A 87 2.540 -5.526 -0.064 1.00 0.39 O ATOM 1331 CB TYR A 87 4.078 -3.095 0.492 1.00 0.35 C ATOM 1332 CG TYR A 87 5.202 -2.096 0.690 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.495 -2.399 0.288 1.00 0.42 C ATOM 1334 CD2 TYR A 87 4.981 -0.866 1.293 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.531 -1.507 0.487 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.012 0.033 1.493 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.244 -0.235 1.015 1.00 0.54 C ATOM 1338 OH TYR A 87 8.311 0.600 1.281 1.00 0.63 O ATOM 0 H TYR A 87 5.660 -4.815 -0.330 1.00 0.34 H new ATOM 0 HA TYR A 87 4.510 -4.264 2.223 1.00 0.28 H new ATOM 0 HB2 TYR A 87 3.947 -3.262 -0.577 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.153 -2.653 0.861 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.695 -3.348 -0.188 1.00 0.42 H new ATOM 0 HD2 TYR A 87 3.983 -0.606 1.613 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.546 -1.782 0.241 1.00 0.49 H new ATOM 0 HE2 TYR A 87 5.830 0.951 2.033 1.00 0.54 H new ATOM 0 HH TYR A 87 8.712 0.897 0.438 1.00 0.63 H new ATOM 1348 N ARG A 88 2.472 -5.726 2.168 1.00 0.33 N ATOM 1349 CA ARG A 88 1.222 -6.453 2.133 1.00 0.36 C ATOM 1350 C ARG A 88 0.086 -5.455 2.223 1.00 0.36 C ATOM 1351 O ARG A 88 -0.104 -4.824 3.264 1.00 0.60 O ATOM 1352 CB ARG A 88 1.086 -7.440 3.301 1.00 0.42 C ATOM 1353 CG ARG A 88 2.081 -8.586 3.329 1.00 1.09 C ATOM 1354 CD ARG A 88 1.760 -9.524 4.487 1.00 1.23 C ATOM 1355 NE ARG A 88 2.677 -10.655 4.578 1.00 1.73 N ATOM 1356 CZ ARG A 88 2.667 -11.529 5.585 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.767 -11.416 6.557 1.00 2.11 N ATOM 1358 NH2 ARG A 88 3.541 -12.524 5.607 1.00 3.15 N ATOM 0 H ARG A 88 2.876 -5.606 3.097 1.00 0.33 H new ATOM 0 HA ARG A 88 1.194 -7.023 1.204 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.179 -6.883 4.233 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.080 -7.860 3.280 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.046 -9.133 2.387 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.094 -8.197 3.435 1.00 1.09 H new ATOM 0 HD2 ARG A 88 1.791 -8.963 5.421 1.00 1.23 H new ATOM 0 HD3 ARG A 88 0.742 -9.897 4.373 1.00 1.23 H new ATOM 0 HE ARG A 88 3.361 -10.784 3.833 1.00 1.73 H new ATOM 0 HH11 ARG A 88 1.083 -10.660 6.533 1.00 2.11 H new ATOM 0 HH12 ARG A 88 1.761 -12.085 7.327 1.00 2.11 H new ATOM 0 HH21 ARG A 88 4.222 -12.622 4.854 1.00 3.15 H new ATOM 0 HH22 ARG A 88 3.533 -13.193 6.377 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.640 -5.275 1.147 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.792 -4.409 1.188 1.00 0.27 C ATOM 1374 C CYS A 89 -3.022 -5.254 1.425 1.00 0.25 C ATOM 1375 O CYS A 89 -3.308 -6.189 0.676 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.916 -3.614 -0.097 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.653 -1.984 0.121 1.00 1.08 S ATOM 0 H CYS A 89 -0.457 -5.710 0.243 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.683 -3.691 2.001 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -0.926 -3.498 -0.538 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.517 -4.182 -0.807 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.713 -1.090 0.202 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.723 -4.934 2.480 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.823 -5.755 2.949 1.00 0.28 C ATOM 1385 C GLU A 90 -6.000 -4.877 3.361 1.00 0.26 C ATOM 1386 O GLU A 90 -5.938 -4.179 4.374 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.329 -6.605 4.127 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.371 -7.517 4.756 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.800 -8.292 5.928 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -4.221 -9.379 5.709 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -4.901 -7.809 7.075 1.00 1.81 O ATOM 0 H GLU A 90 -3.553 -4.100 3.042 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.168 -6.412 2.150 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.494 -7.217 3.786 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -3.942 -5.938 4.897 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.221 -6.922 5.092 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.746 -8.214 4.006 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.057 -4.880 2.559 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.250 -4.120 2.895 1.00 0.22 C ATOM 1400 C VAL A 91 -9.334 -5.034 3.433 1.00 0.22 C ATOM 1401 O VAL A 91 -9.521 -6.168 2.966 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.811 -3.296 1.706 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -9.011 -4.166 0.475 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.112 -2.601 2.096 1.00 0.51 C ATOM 0 H VAL A 91 -7.111 -5.395 1.680 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.944 -3.410 3.663 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.076 -2.531 1.455 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.405 -3.559 -0.340 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -8.056 -4.599 0.176 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.715 -4.965 0.705 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.488 -2.029 1.247 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.851 -3.348 2.386 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.928 -1.929 2.934 1.00 0.51 H new ATOM 1414 N SER A 92 -10.033 -4.522 4.423 1.00 0.22 N ATOM 1415 CA SER A 92 -11.139 -5.224 5.030 1.00 0.25 C ATOM 1416 C SER A 92 -12.247 -4.229 5.309 1.00 0.26 C ATOM 1417 O SER A 92 -12.129 -3.363 6.173 1.00 0.30 O ATOM 1418 CB SER A 92 -10.697 -5.918 6.321 1.00 0.32 C ATOM 1419 OG SER A 92 -9.696 -6.891 6.059 1.00 1.18 O ATOM 0 H SER A 92 -9.848 -3.605 4.829 1.00 0.22 H new ATOM 0 HA SER A 92 -11.501 -5.996 4.351 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.314 -5.178 7.023 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.556 -6.393 6.795 1.00 0.32 H new ATOM 0 HG SER A 92 -10.029 -7.534 5.399 1.00 1.18 H new ATOM 1425 N THR A 93 -13.304 -4.328 4.537 1.00 0.28 N ATOM 1426 CA THR A 93 -14.427 -3.439 4.670 1.00 0.35 C ATOM 1427 C THR A 93 -15.670 -4.237 4.682 1.00 0.39 C ATOM 1428 O THR A 93 -15.743 -5.186 3.931 1.00 0.59 O ATOM 1429 CB THR A 93 -14.539 -2.508 3.500 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.248 -2.264 2.945 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.167 -1.219 3.936 1.00 0.57 C ATOM 0 H THR A 93 -13.407 -5.027 3.801 1.00 0.28 H new ATOM 0 HA THR A 93 -14.283 -2.869 5.588 1.00 0.35 H new ATOM 0 HB THR A 93 -15.167 -2.967 2.736 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.597 -2.149 3.669 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.246 -0.546 3.082 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.162 -1.416 4.336 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.551 -0.756 4.707 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.642 -3.776 5.456 1.00 0.43 N ATOM 1440 CA LYS A 94 -17.935 -4.440 5.653 1.00 0.43 C ATOM 1441 C LYS A 94 -17.853 -5.968 5.601 1.00 0.42 C ATOM 1442 O LYS A 94 -17.910 -6.646 6.625 1.00 0.53 O ATOM 1443 CB LYS A 94 -18.997 -3.899 4.671 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.489 -3.287 3.352 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.188 -4.306 2.250 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.226 -5.428 2.134 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.634 -4.966 2.265 1.00 0.65 N ATOM 0 H LYS A 94 -16.557 -2.906 5.982 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.247 -4.194 6.668 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.677 -4.715 4.425 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.583 -3.142 5.191 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.234 -2.582 2.983 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.584 -2.715 3.557 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.125 -3.784 1.295 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.210 -4.749 2.437 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.105 -5.923 1.170 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.026 -6.175 2.903 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.249 -5.780 2.465 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.703 -4.280 3.044 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.935 -4.514 1.378 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.698 -6.476 4.399 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.614 -7.884 4.139 1.00 0.40 C ATOM 1463 C ASP A 95 -16.705 -8.156 2.934 1.00 0.37 C ATOM 1464 O ASP A 95 -16.358 -9.304 2.675 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.005 -8.442 3.885 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.250 -9.756 4.601 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.771 -10.803 4.114 1.00 1.05 O ATOM 1468 OD2 ASP A 95 -19.923 -9.749 5.649 1.00 0.89 O ATOM 0 H ASP A 95 -17.626 -5.902 3.559 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.184 -8.378 5.010 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.749 -7.713 4.208 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.144 -8.586 2.813 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.276 -7.099 2.219 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.460 -7.291 1.045 1.00 0.29 C ATOM 1475 C LYS A 96 -14.040 -7.380 1.497 1.00 0.27 C ATOM 1476 O LYS A 96 -13.558 -6.568 2.289 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.588 -6.194 -0.033 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.214 -6.687 -1.326 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.297 -7.660 -2.052 1.00 0.82 C ATOM 1480 CE LYS A 96 -15.845 -8.048 -3.414 1.00 1.00 C ATOM 1481 NZ LYS A 96 -17.162 -8.725 -3.325 1.00 1.29 N ATOM 0 H LYS A 96 -16.486 -6.126 2.443 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.811 -8.202 0.560 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.188 -5.375 0.363 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.599 -5.790 -0.248 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -17.165 -7.174 -1.109 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.431 -5.838 -1.974 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -14.312 -7.209 -2.172 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -15.165 -8.556 -1.445 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -15.940 -7.155 -4.031 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.135 -8.707 -3.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -17.307 -9.315 -4.169 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -17.188 -9.324 -2.475 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -17.916 -8.011 -3.268 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.411 -8.398 1.034 1.00 0.28 N ATOM 1496 CA PHE A 97 -12.078 -8.724 1.465 1.00 0.29 C ATOM 1497 C PHE A 97 -11.163 -9.014 0.292 1.00 0.32 C ATOM 1498 O PHE A 97 -11.619 -9.501 -0.744 1.00 0.47 O ATOM 1499 CB PHE A 97 -12.155 -9.929 2.386 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.852 -10.257 3.054 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.130 -9.281 3.720 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -10.347 -11.543 3.006 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.928 -9.587 4.330 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -9.148 -11.856 3.612 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.435 -10.876 4.274 1.00 0.74 C ATOM 0 H PHE A 97 -13.798 -9.039 0.341 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.656 -7.868 1.992 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.910 -9.744 3.151 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.488 -10.794 1.812 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.510 -8.271 3.763 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -10.899 -12.313 2.487 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.375 -8.819 4.850 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -8.768 -12.866 3.569 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.494 -11.117 4.747 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.881 -8.686 0.466 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.831 -9.085 -0.483 1.00 0.43 C ATOM 1517 C ASP A 98 -7.467 -8.587 -0.006 1.00 0.36 C ATOM 1518 O ASP A 98 -7.395 -7.746 0.897 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.126 -8.564 -1.895 1.00 0.56 C ATOM 1520 CG ASP A 98 -8.430 -9.381 -2.970 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -7.252 -9.089 -3.267 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -9.053 -10.302 -3.534 1.00 1.60 O ATOM 0 H ASP A 98 -9.540 -8.142 1.259 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.815 -10.174 -0.526 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -10.202 -8.582 -2.069 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.808 -7.524 -1.970 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.396 -9.119 -0.592 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.033 -8.756 -0.208 1.00 0.30 C ATOM 1529 C CYS A 99 -4.118 -8.765 -1.432 1.00 0.32 C ATOM 1530 O CYS A 99 -4.356 -9.502 -2.387 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.491 -9.734 0.839 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.566 -9.966 2.272 1.00 1.19 S ATOM 0 H CYS A 99 -6.447 -9.809 -1.341 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.056 -7.753 0.219 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.326 -10.701 0.364 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.520 -9.378 1.183 1.00 0.34 H new ATOM 0 HG CYS A 99 -5.018 -10.811 3.094 1.00 1.19 H new ATOM 1538 N SER A 100 -3.071 -7.951 -1.406 1.00 0.27 N ATOM 1539 CA SER A 100 -2.136 -7.891 -2.522 1.00 0.30 C ATOM 1540 C SER A 100 -0.688 -7.955 -2.061 1.00 0.31 C ATOM 1541 O SER A 100 -0.274 -7.220 -1.162 1.00 0.42 O ATOM 1542 CB SER A 100 -2.361 -6.618 -3.332 1.00 0.38 C ATOM 1543 OG SER A 100 -2.266 -5.469 -2.511 1.00 0.84 O ATOM 0 H SER A 100 -2.849 -7.327 -0.630 1.00 0.27 H new ATOM 0 HA SER A 100 -2.325 -8.764 -3.147 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.625 -6.558 -4.133 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.343 -6.652 -3.803 1.00 0.38 H new ATOM 0 HG SER A 100 -1.322 -5.249 -2.364 1.00 0.84 H new ATOM 1549 N ASN A 101 0.068 -8.840 -2.689 1.00 0.34 N ATOM 1550 CA ASN A 101 1.498 -8.958 -2.448 1.00 0.37 C ATOM 1551 C ASN A 101 2.254 -8.131 -3.478 1.00 0.42 C ATOM 1552 O ASN A 101 1.967 -8.219 -4.676 1.00 0.65 O ATOM 1553 CB ASN A 101 1.937 -10.424 -2.575 1.00 0.60 C ATOM 1554 CG ASN A 101 1.824 -10.927 -4.002 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.773 -11.417 -4.417 1.00 1.58 O ATOM 1556 ND2 ASN A 101 2.901 -10.795 -4.766 1.00 1.05 N ATOM 0 H ASN A 101 -0.292 -9.498 -3.381 1.00 0.34 H new ATOM 0 HA ASN A 101 1.716 -8.599 -1.442 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.968 -10.525 -2.235 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.324 -11.045 -1.922 1.00 0.60 H new ATOM 0 HD21 ASN A 101 2.878 -11.105 -5.737 1.00 1.05 H new ATOM 0 HD22 ASN A 101 3.752 -10.383 -4.382 1.00 1.05 H new ATOM 1563 N PHE A 102 3.138 -7.258 -3.038 1.00 0.31 N ATOM 1564 CA PHE A 102 4.089 -6.683 -3.939 1.00 0.38 C ATOM 1565 C PHE A 102 5.382 -6.361 -3.193 1.00 0.30 C ATOM 1566 O PHE A 102 5.347 -5.975 -2.027 1.00 0.37 O ATOM 1567 CB PHE A 102 3.476 -5.486 -4.620 1.00 0.57 C ATOM 1568 CG PHE A 102 3.362 -4.281 -3.775 1.00 0.46 C ATOM 1569 CD1 PHE A 102 2.234 -4.033 -3.022 1.00 0.59 C ATOM 1570 CD2 PHE A 102 4.379 -3.370 -3.774 1.00 0.61 C ATOM 1571 CE1 PHE A 102 2.143 -2.893 -2.273 1.00 0.74 C ATOM 1572 CE2 PHE A 102 4.297 -2.232 -3.040 1.00 0.84 C ATOM 1573 CZ PHE A 102 3.173 -1.978 -2.285 1.00 0.86 C ATOM 0 H PHE A 102 3.210 -6.940 -2.071 1.00 0.31 H new ATOM 0 HA PHE A 102 4.353 -7.392 -4.723 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.073 -5.241 -5.498 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.482 -5.758 -4.976 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.419 -4.742 -3.024 1.00 0.59 H new ATOM 0 HD2 PHE A 102 5.262 -3.558 -4.367 1.00 0.61 H new ATOM 0 HE1 PHE A 102 1.264 -2.710 -1.672 1.00 0.74 H new ATOM 0 HE2 PHE A 102 5.113 -1.525 -3.048 1.00 0.84 H new ATOM 0 HZ PHE A 102 3.100 -1.069 -1.707 1.00 0.86 H new ATOM 1583 N ASN A 103 6.508 -6.538 -3.856 1.00 0.24 N ATOM 1584 CA ASN A 103 7.804 -6.390 -3.242 1.00 0.25 C ATOM 1585 C ASN A 103 8.603 -5.242 -3.840 1.00 0.28 C ATOM 1586 O ASN A 103 8.646 -5.034 -5.047 1.00 0.49 O ATOM 1587 CB ASN A 103 8.606 -7.662 -3.436 1.00 0.33 C ATOM 1588 CG ASN A 103 7.823 -8.923 -3.181 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.784 -9.436 -2.064 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.207 -9.436 -4.217 1.00 1.25 N ATOM 0 H ASN A 103 6.545 -6.790 -4.844 1.00 0.24 H new ATOM 0 HA ASN A 103 7.631 -6.182 -2.186 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.991 -7.685 -4.456 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.469 -7.641 -2.770 1.00 0.33 H new ATOM 0 HD21 ASN A 103 6.667 -10.296 -4.115 1.00 1.25 H new ATOM 0 HD22 ASN A 103 7.267 -8.976 -5.125 1.00 1.25 H new ATOM 1597 N LEU A 104 9.277 -4.546 -2.969 1.00 0.23 N ATOM 1598 CA LEU A 104 10.232 -3.514 -3.362 1.00 0.24 C ATOM 1599 C LEU A 104 11.628 -4.063 -3.188 1.00 0.25 C ATOM 1600 O LEU A 104 12.104 -4.246 -2.077 1.00 0.37 O ATOM 1601 CB LEU A 104 10.080 -2.195 -2.562 1.00 0.27 C ATOM 1602 CG LEU A 104 11.382 -1.493 -2.226 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.420 -0.166 -2.938 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.590 -1.311 -0.719 1.00 0.30 C ATOM 0 H LEU A 104 9.189 -4.668 -1.960 1.00 0.23 H new ATOM 0 HA LEU A 104 10.033 -3.260 -4.403 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.454 -1.511 -3.135 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.551 -2.410 -1.634 1.00 0.27 H new ATOM 0 HG LEU A 104 12.202 -2.125 -2.567 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.353 0.347 -2.703 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.357 -0.328 -4.014 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.578 0.445 -2.613 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.538 -0.803 -0.541 1.00 0.30 H new ATOM 0 HD22 LEU A 104 10.776 -0.714 -0.309 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.604 -2.287 -0.233 1.00 0.30 H new ATOM 1616 N THR A 105 12.280 -4.340 -4.281 1.00 0.23 N ATOM 1617 CA THR A 105 13.601 -4.899 -4.222 1.00 0.24 C ATOM 1618 C THR A 105 14.616 -3.776 -4.148 1.00 0.21 C ATOM 1619 O THR A 105 14.986 -3.189 -5.162 1.00 0.22 O ATOM 1620 CB THR A 105 13.899 -5.786 -5.440 1.00 0.28 C ATOM 1621 OG1 THR A 105 12.746 -6.583 -5.748 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.084 -6.694 -5.157 1.00 0.32 C ATOM 0 H THR A 105 11.919 -4.188 -5.223 1.00 0.23 H new ATOM 0 HA THR A 105 13.665 -5.525 -3.332 1.00 0.24 H new ATOM 0 HB THR A 105 14.141 -5.147 -6.289 1.00 0.28 H new ATOM 0 HG1 THR A 105 12.937 -7.147 -6.526 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.282 -7.316 -6.030 1.00 0.32 H new ATOM 0 HG22 THR A 105 15.962 -6.088 -4.936 1.00 0.32 H new ATOM 0 HG23 THR A 105 14.858 -7.331 -4.301 1.00 0.32 H new ATOM 1630 N VAL A 106 15.032 -3.466 -2.936 1.00 0.23 N ATOM 1631 CA VAL A 106 16.012 -2.448 -2.711 1.00 0.23 C ATOM 1632 C VAL A 106 17.384 -3.023 -3.000 1.00 0.25 C ATOM 1633 O VAL A 106 17.889 -3.931 -2.338 1.00 0.28 O ATOM 1634 CB VAL A 106 15.934 -1.853 -1.287 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.018 -2.935 -0.244 1.00 0.31 C ATOM 1636 CG2 VAL A 106 16.994 -0.776 -1.105 1.00 0.33 C ATOM 0 H VAL A 106 14.694 -3.918 -2.087 1.00 0.23 H new ATOM 0 HA VAL A 106 15.812 -1.616 -3.387 1.00 0.23 H new ATOM 0 HB VAL A 106 14.964 -1.374 -1.155 1.00 0.27 H new ATOM 0 HG11 VAL A 106 15.961 -2.489 0.749 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.191 -3.633 -0.376 1.00 0.31 H new ATOM 0 HG13 VAL A 106 16.963 -3.468 -0.348 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.927 -0.366 -0.097 1.00 0.33 H new ATOM 0 HG22 VAL A 106 17.983 -1.210 -1.255 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.833 0.020 -1.832 1.00 0.33 H new ATOM 1646 N HIS A 107 17.935 -2.489 -4.035 1.00 0.26 N ATOM 1647 CA HIS A 107 19.190 -2.934 -4.585 1.00 0.31 C ATOM 1648 C HIS A 107 20.322 -2.254 -3.863 1.00 0.34 C ATOM 1649 O HIS A 107 20.620 -1.081 -4.094 1.00 0.36 O ATOM 1650 CB HIS A 107 19.287 -2.622 -6.085 1.00 0.36 C ATOM 1651 CG HIS A 107 18.397 -3.453 -6.970 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.384 -3.325 -8.344 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.487 -4.419 -6.681 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.510 -4.168 -8.858 1.00 1.10 C ATOM 1655 NE2 HIS A 107 16.953 -4.844 -7.876 1.00 0.53 N ATOM 0 H HIS A 107 17.521 -1.708 -4.544 1.00 0.26 H new ATOM 0 HA HIS A 107 19.253 -4.014 -4.455 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.045 -1.570 -6.238 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.320 -2.761 -6.403 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.231 -4.785 -5.698 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.288 -4.284 -9.909 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.241 -5.566 -7.983 1.00 0.53 H new ATOM 1664 N GLU A 108 20.902 -2.979 -2.952 1.00 0.45 N ATOM 1665 CA GLU A 108 22.128 -2.546 -2.311 1.00 0.56 C ATOM 1666 C GLU A 108 23.274 -2.569 -3.317 1.00 0.71 C ATOM 1667 O GLU A 108 23.843 -3.620 -3.620 1.00 1.33 O ATOM 1668 CB GLU A 108 22.457 -3.411 -1.097 1.00 0.71 C ATOM 1669 CG GLU A 108 23.653 -2.904 -0.307 1.00 0.87 C ATOM 1670 CD GLU A 108 23.921 -3.720 0.941 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.308 -3.431 1.988 1.00 1.66 O ATOM 1672 OE2 GLU A 108 24.762 -4.643 0.884 1.00 1.67 O ATOM 0 H GLU A 108 20.550 -3.880 -2.628 1.00 0.45 H new ATOM 0 HA GLU A 108 21.987 -1.525 -1.956 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.587 -3.451 -0.441 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.654 -4.431 -1.428 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.537 -2.922 -0.944 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.483 -1.865 -0.026 1.00 0.87 H new