USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -104:sc= 1.21 (180deg=-0.109) USER MOD Set 2.2: A 80 GLN : amide:sc= -1.44! C(o=-0.23!,f=-9.3!) USER MOD Single : A 1 ASP N :NH3+ 152:sc= 1.44 (180deg=1.1) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.741 K(o=0.74,f=-0.011) USER MOD Single : A 17 THR OG1 : rot 46:sc= 0.723 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0796) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.566 (180deg=-0.92) USER MOD Single : A 50 SER OG : rot 180:sc= 0.131 USER MOD Single : A 55 GLN : amide:sc= -0.973 K(o=-0.97,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.35) USER MOD Single : A 58 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.7) USER MOD Single : A 60 HIS : no HE2:sc= 0.874 K(o=0.87,f=-5.3!) USER MOD Single : A 62 SER OG : rot 70:sc= 0.174 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.491! (180deg=-1.74!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.242 USER MOD Single : A 89 CYS SG : rot 114:sc= 1.2 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -41:sc= -5.61! USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= -3.74! (180deg=-6.76!) USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= -0.0587 (180deg=-0.735!) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -164:sc= -2.56! USER MOD Single : A 101 ASN : amide:sc= -0.719 K(o=-0.72,f=-0.19) USER MOD Single : A 103 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-6.4!) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.386 -11.450 0.775 1.00 0.92 N ATOM 2 CA ASP A 1 -17.993 -10.415 -0.210 1.00 0.81 C ATOM 3 C ASP A 1 -19.152 -10.041 -1.111 1.00 0.80 C ATOM 4 O ASP A 1 -19.624 -10.832 -1.920 1.00 0.99 O ATOM 5 CB ASP A 1 -16.804 -10.897 -1.028 1.00 0.90 C ATOM 6 CG ASP A 1 -15.601 -11.222 -0.182 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.660 -12.219 0.562 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.599 -10.485 -0.261 1.00 1.93 O ATOM 0 H1 ASP A 1 -17.553 -12.014 1.037 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.774 -10.992 1.624 1.00 0.92 H new ATOM 0 H3 ASP A 1 -19.107 -12.071 0.357 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.702 -9.518 0.336 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -17.094 -11.783 -1.593 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.534 -10.130 -1.754 1.00 0.90 H new ATOM 13 N ASP A 2 -19.597 -8.810 -0.941 1.00 0.70 N ATOM 14 CA ASP A 2 -20.660 -8.228 -1.722 1.00 0.72 C ATOM 15 C ASP A 2 -20.071 -7.497 -2.925 1.00 0.70 C ATOM 16 O ASP A 2 -18.858 -7.283 -2.967 1.00 0.75 O ATOM 17 CB ASP A 2 -21.382 -7.243 -0.826 1.00 0.79 C ATOM 18 CG ASP A 2 -22.310 -7.900 0.169 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.430 -8.298 -0.217 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.921 -8.009 1.348 1.00 1.65 O ATOM 0 H ASP A 2 -19.217 -8.176 -0.238 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.343 -8.995 -2.086 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.645 -6.648 -0.286 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.956 -6.554 -1.446 1.00 0.79 H new ATOM 25 N PRO A 3 -20.891 -7.079 -3.901 1.00 0.71 N ATOM 26 CA PRO A 3 -20.400 -6.362 -5.081 1.00 0.72 C ATOM 27 C PRO A 3 -19.853 -4.967 -4.754 1.00 0.66 C ATOM 28 O PRO A 3 -20.556 -3.961 -4.847 1.00 0.97 O ATOM 29 CB PRO A 3 -21.622 -6.273 -6.004 1.00 0.84 C ATOM 30 CG PRO A 3 -22.628 -7.218 -5.430 1.00 0.94 C ATOM 31 CD PRO A 3 -22.346 -7.284 -3.958 1.00 0.81 C ATOM 0 HA PRO A 3 -19.557 -6.883 -5.535 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -22.014 -5.257 -6.039 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -21.363 -6.550 -7.026 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -23.643 -6.867 -5.617 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.542 -8.204 -5.888 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.886 -6.514 -3.407 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.637 -8.244 -3.532 1.00 0.81 H new ATOM 39 N ILE A 4 -18.591 -4.938 -4.352 1.00 0.45 N ATOM 40 CA ILE A 4 -17.876 -3.701 -4.040 1.00 0.41 C ATOM 41 C ILE A 4 -16.820 -3.461 -5.089 1.00 0.41 C ATOM 42 O ILE A 4 -16.895 -2.522 -5.877 1.00 0.50 O ATOM 43 CB ILE A 4 -17.186 -3.783 -2.649 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.192 -3.548 -1.529 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.052 -2.779 -2.510 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.257 -4.596 -1.439 1.00 0.46 C ATOM 0 H ILE A 4 -18.026 -5.778 -4.231 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.599 -2.885 -4.024 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.771 -4.788 -2.570 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.659 -3.503 -0.579 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.664 -2.576 -1.676 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.601 -2.874 -1.522 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.299 -2.973 -3.273 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.443 -1.769 -2.635 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.933 -4.358 -0.618 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.817 -4.627 -2.374 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.797 -5.568 -1.260 1.00 0.46 H new ATOM 58 N GLY A 5 -15.837 -4.345 -5.087 1.00 0.36 N ATOM 59 CA GLY A 5 -14.702 -4.173 -5.956 1.00 0.39 C ATOM 60 C GLY A 5 -13.646 -3.416 -5.216 1.00 0.33 C ATOM 61 O GLY A 5 -12.968 -2.559 -5.763 1.00 0.33 O ATOM 0 H GLY A 5 -15.807 -5.177 -4.498 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.319 -5.142 -6.275 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.994 -3.633 -6.857 1.00 0.39 H new ATOM 65 N LEU A 6 -13.574 -3.755 -3.932 1.00 0.32 N ATOM 66 CA LEU A 6 -12.681 -3.153 -2.960 1.00 0.29 C ATOM 67 C LEU A 6 -11.328 -2.864 -3.577 1.00 0.29 C ATOM 68 O LEU A 6 -10.827 -1.749 -3.508 1.00 0.33 O ATOM 69 CB LEU A 6 -12.544 -4.135 -1.805 1.00 0.29 C ATOM 70 CG LEU A 6 -12.434 -3.544 -0.409 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.571 -2.576 -0.117 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.437 -4.671 0.587 1.00 0.28 C ATOM 0 H LEU A 6 -14.161 -4.486 -3.529 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.083 -2.202 -2.611 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.405 -4.803 -1.824 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.661 -4.748 -1.984 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.506 -2.977 -0.336 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.458 -2.175 0.890 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.548 -1.759 -0.838 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.524 -3.100 -0.193 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.359 -4.265 1.596 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.364 -5.236 0.494 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.590 -5.329 0.394 1.00 0.28 H new ATOM 84 N PHE A 7 -10.761 -3.871 -4.204 1.00 0.30 N ATOM 85 CA PHE A 7 -9.524 -3.709 -4.913 1.00 0.32 C ATOM 86 C PHE A 7 -9.780 -3.224 -6.323 1.00 0.29 C ATOM 87 O PHE A 7 -9.906 -4.009 -7.263 1.00 0.32 O ATOM 88 CB PHE A 7 -8.742 -5.003 -4.913 1.00 0.41 C ATOM 89 CG PHE A 7 -7.454 -4.898 -4.157 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.295 -3.951 -3.149 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.404 -5.737 -4.451 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.105 -3.853 -2.456 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.220 -5.643 -3.763 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.066 -4.701 -2.766 1.00 0.61 C ATOM 0 H PHE A 7 -11.145 -4.815 -4.233 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.925 -2.954 -4.403 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.353 -5.792 -4.475 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.532 -5.296 -5.942 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.111 -3.286 -2.907 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.512 -6.477 -5.231 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.990 -3.116 -1.675 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.405 -6.309 -4.003 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.131 -4.629 -2.230 1.00 0.61 H new ATOM 104 N VAL A 8 -9.894 -1.919 -6.429 1.00 0.28 N ATOM 105 CA VAL A 8 -10.089 -1.250 -7.702 1.00 0.34 C ATOM 106 C VAL A 8 -8.796 -1.303 -8.510 1.00 0.44 C ATOM 107 O VAL A 8 -8.810 -1.398 -9.734 1.00 0.63 O ATOM 108 CB VAL A 8 -10.519 0.217 -7.483 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.920 0.879 -8.795 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.649 0.283 -6.460 1.00 0.33 C ATOM 0 H VAL A 8 -9.854 -1.285 -5.631 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.880 -1.760 -8.252 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.666 0.772 -7.092 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.217 1.911 -8.606 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -10.075 0.865 -9.483 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.756 0.336 -9.236 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.946 1.321 -6.312 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.502 -0.290 -6.823 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.307 -0.135 -5.513 1.00 0.33 H new ATOM 120 N MET A 9 -7.680 -1.246 -7.799 1.00 0.43 N ATOM 121 CA MET A 9 -6.364 -1.397 -8.400 1.00 0.65 C ATOM 122 C MET A 9 -5.331 -1.686 -7.332 1.00 0.44 C ATOM 123 O MET A 9 -5.338 -1.070 -6.270 1.00 0.44 O ATOM 124 CB MET A 9 -5.957 -0.151 -9.178 1.00 1.05 C ATOM 125 CG MET A 9 -4.558 -0.233 -9.760 1.00 1.45 C ATOM 126 SD MET A 9 -3.977 1.350 -10.391 1.00 2.35 S ATOM 127 CE MET A 9 -2.325 0.912 -10.917 1.00 2.88 C ATOM 0 H MET A 9 -7.661 -1.094 -6.791 1.00 0.43 H new ATOM 0 HA MET A 9 -6.415 -2.234 -9.097 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.670 0.012 -9.986 1.00 1.05 H new ATOM 0 HB3 MET A 9 -6.018 0.715 -8.519 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.870 -0.589 -8.993 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.546 -0.968 -10.565 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.831 1.790 -11.333 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.756 0.547 -10.062 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.380 0.132 -11.677 1.00 2.88 H new ATOM 137 N ARG A 10 -4.450 -2.624 -7.618 1.00 0.47 N ATOM 138 CA ARG A 10 -3.381 -2.965 -6.702 1.00 0.41 C ATOM 139 C ARG A 10 -2.027 -2.651 -7.314 1.00 0.39 C ATOM 140 O ARG A 10 -1.792 -2.907 -8.495 1.00 0.45 O ATOM 141 CB ARG A 10 -3.459 -4.432 -6.271 1.00 0.46 C ATOM 142 CG ARG A 10 -3.827 -5.419 -7.366 1.00 0.97 C ATOM 143 CD ARG A 10 -3.883 -6.833 -6.804 1.00 1.34 C ATOM 144 NE ARG A 10 -4.442 -7.798 -7.748 1.00 2.11 N ATOM 145 CZ ARG A 10 -5.256 -8.799 -7.396 1.00 2.72 C ATOM 146 NH1 ARG A 10 -5.624 -8.943 -6.121 1.00 2.74 N ATOM 147 NH2 ARG A 10 -5.704 -9.656 -8.309 1.00 3.67 N ATOM 0 H ARG A 10 -4.454 -3.166 -8.482 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.503 -2.353 -5.808 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.494 -4.722 -5.855 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.191 -4.518 -5.468 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -4.792 -5.153 -7.796 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -3.094 -5.369 -8.172 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.878 -7.147 -6.523 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.483 -6.833 -5.894 1.00 1.34 H new ATOM 0 HE ARG A 10 -4.197 -7.703 -8.734 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -5.284 -8.290 -5.415 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -6.245 -9.706 -5.852 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -5.427 -9.552 -9.285 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -6.325 -10.417 -8.033 1.00 3.67 H new ATOM 161 N PRO A 11 -1.129 -2.075 -6.505 1.00 0.43 N ATOM 162 CA PRO A 11 0.202 -1.680 -6.950 1.00 0.50 C ATOM 163 C PRO A 11 1.113 -2.874 -7.201 1.00 0.47 C ATOM 164 O PRO A 11 0.736 -4.026 -6.970 1.00 0.54 O ATOM 165 CB PRO A 11 0.750 -0.832 -5.803 1.00 0.62 C ATOM 166 CG PRO A 11 -0.067 -1.160 -4.611 1.00 0.64 C ATOM 167 CD PRO A 11 -1.358 -1.771 -5.085 1.00 0.53 C ATOM 0 HA PRO A 11 0.155 -1.147 -7.900 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.802 -1.053 -5.625 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.683 0.230 -6.039 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.467 -1.854 -3.962 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.263 -0.262 -4.025 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.600 -2.672 -4.521 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.193 -1.082 -4.957 1.00 0.53 H new ATOM 175 N GLN A 12 2.314 -2.588 -7.673 1.00 0.44 N ATOM 176 CA GLN A 12 3.253 -3.615 -8.049 1.00 0.43 C ATOM 177 C GLN A 12 4.580 -3.405 -7.355 1.00 0.37 C ATOM 178 O GLN A 12 4.741 -2.435 -6.625 1.00 0.40 O ATOM 179 CB GLN A 12 3.410 -3.577 -9.552 1.00 0.55 C ATOM 180 CG GLN A 12 2.104 -3.874 -10.246 1.00 0.73 C ATOM 181 CD GLN A 12 1.764 -5.354 -10.219 1.00 1.06 C ATOM 182 OE1 GLN A 12 2.105 -6.085 -11.144 1.00 1.43 O ATOM 183 NE2 GLN A 12 1.137 -5.821 -9.144 1.00 1.32 N ATOM 0 H GLN A 12 2.659 -1.637 -7.804 1.00 0.44 H new ATOM 0 HA GLN A 12 2.884 -4.594 -7.742 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.772 -2.595 -9.857 1.00 0.55 H new ATOM 0 HB3 GLN A 12 4.162 -4.304 -9.860 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.303 -3.310 -9.767 1.00 0.73 H new ATOM 0 HG3 GLN A 12 2.159 -3.534 -11.280 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.868 -5.184 -8.394 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.925 -6.816 -9.069 1.00 1.32 H new ATOM 192 N ASP A 13 5.513 -4.323 -7.574 1.00 0.34 N ATOM 193 CA ASP A 13 6.777 -4.321 -6.934 1.00 0.33 C ATOM 194 C ASP A 13 7.660 -3.206 -7.447 1.00 0.36 C ATOM 195 O ASP A 13 7.223 -2.092 -7.731 1.00 0.50 O ATOM 196 CB ASP A 13 7.420 -5.675 -7.217 1.00 0.35 C ATOM 197 CG ASP A 13 7.469 -6.026 -8.690 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.409 -6.365 -9.253 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.559 -5.947 -9.292 1.00 2.06 O ATOM 0 H ASP A 13 5.386 -5.100 -8.222 1.00 0.34 H new ATOM 0 HA ASP A 13 6.653 -4.155 -5.864 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.434 -5.677 -6.817 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.866 -6.449 -6.686 1.00 0.35 H new ATOM 204 N GLY A 14 8.904 -3.541 -7.575 1.00 0.30 N ATOM 205 CA GLY A 14 9.892 -2.584 -7.951 1.00 0.30 C ATOM 206 C GLY A 14 11.241 -2.940 -7.417 1.00 0.25 C ATOM 207 O GLY A 14 11.396 -3.374 -6.279 1.00 0.28 O ATOM 0 H GLY A 14 9.262 -4.484 -7.422 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.938 -2.517 -9.038 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.603 -1.600 -7.582 1.00 0.30 H new ATOM 211 N GLU A 15 12.205 -2.772 -8.263 1.00 0.26 N ATOM 212 CA GLU A 15 13.595 -2.995 -7.920 1.00 0.25 C ATOM 213 C GLU A 15 14.344 -1.673 -7.953 1.00 0.23 C ATOM 214 O GLU A 15 14.467 -1.052 -9.010 1.00 0.30 O ATOM 215 CB GLU A 15 14.228 -3.996 -8.888 1.00 0.33 C ATOM 216 CG GLU A 15 15.736 -4.059 -8.769 1.00 0.69 C ATOM 217 CD GLU A 15 16.365 -5.123 -9.640 1.00 1.11 C ATOM 218 OE1 GLU A 15 16.713 -4.823 -10.801 1.00 1.53 O ATOM 219 OE2 GLU A 15 16.553 -6.250 -9.148 1.00 1.48 O ATOM 0 H GLU A 15 12.060 -2.472 -9.227 1.00 0.26 H new ATOM 0 HA GLU A 15 13.654 -3.412 -6.915 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.812 -4.986 -8.702 1.00 0.33 H new ATOM 0 HB3 GLU A 15 13.960 -3.725 -9.909 1.00 0.33 H new ATOM 0 HG2 GLU A 15 16.155 -3.088 -9.035 1.00 0.69 H new ATOM 0 HG3 GLU A 15 16.003 -4.247 -7.729 1.00 0.69 H new ATOM 226 N VAL A 16 14.833 -1.234 -6.797 1.00 0.20 N ATOM 227 CA VAL A 16 15.403 0.043 -6.663 1.00 0.21 C ATOM 228 C VAL A 16 16.621 -0.099 -5.783 1.00 0.22 C ATOM 229 O VAL A 16 16.787 -1.091 -5.098 1.00 0.27 O ATOM 230 CB VAL A 16 14.409 1.040 -6.032 1.00 0.22 C ATOM 231 CG1 VAL A 16 13.007 0.865 -6.603 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.396 0.939 -4.508 1.00 0.23 C ATOM 0 H VAL A 16 14.830 -1.782 -5.937 1.00 0.20 H new ATOM 0 HA VAL A 16 15.669 0.434 -7.645 1.00 0.21 H new ATOM 0 HB VAL A 16 14.753 2.041 -6.291 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.332 1.583 -6.137 1.00 0.25 H new ATOM 0 HG12 VAL A 16 13.029 1.034 -7.680 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.656 -0.147 -6.402 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.684 1.657 -4.102 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.104 -0.069 -4.213 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.391 1.157 -4.120 1.00 0.23 H new ATOM 242 N THR A 17 17.448 0.879 -5.822 1.00 0.23 N ATOM 243 CA THR A 17 18.610 0.944 -4.955 1.00 0.27 C ATOM 244 C THR A 17 18.275 1.737 -3.719 1.00 0.28 C ATOM 245 O THR A 17 17.292 2.489 -3.680 1.00 0.28 O ATOM 246 CB THR A 17 19.836 1.604 -5.613 1.00 0.35 C ATOM 247 OG1 THR A 17 20.921 1.748 -4.680 1.00 0.77 O ATOM 248 CG2 THR A 17 19.483 2.960 -6.135 1.00 0.56 C ATOM 0 H THR A 17 17.355 1.674 -6.455 1.00 0.23 H new ATOM 0 HA THR A 17 18.868 -0.089 -4.723 1.00 0.27 H new ATOM 0 HB THR A 17 20.148 0.954 -6.430 1.00 0.35 H new ATOM 0 HG1 THR A 17 21.032 0.915 -4.177 1.00 0.77 H new ATOM 0 HG21 THR A 17 20.361 3.412 -6.597 1.00 0.56 H new ATOM 0 HG22 THR A 17 18.689 2.869 -6.877 1.00 0.56 H new ATOM 0 HG23 THR A 17 19.141 3.589 -5.313 1.00 0.56 H new ATOM 256 N VAL A 18 19.092 1.560 -2.720 1.00 0.31 N ATOM 257 CA VAL A 18 18.994 2.365 -1.531 1.00 0.35 C ATOM 258 C VAL A 18 19.495 3.722 -1.876 1.00 0.36 C ATOM 259 O VAL A 18 20.691 3.959 -2.045 1.00 0.39 O ATOM 260 CB VAL A 18 19.848 1.901 -0.377 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.390 2.536 0.924 1.00 0.76 C ATOM 262 CG2 VAL A 18 19.881 0.401 -0.285 1.00 0.78 C ATOM 0 H VAL A 18 19.837 0.863 -2.703 1.00 0.31 H new ATOM 0 HA VAL A 18 17.952 2.316 -1.216 1.00 0.35 H new ATOM 0 HB VAL A 18 20.871 2.230 -0.562 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.021 2.186 1.741 1.00 0.76 H new ATOM 0 HG12 VAL A 18 19.465 3.621 0.846 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.355 2.258 1.120 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.505 0.102 0.557 1.00 0.78 H new ATOM 0 HG22 VAL A 18 18.869 0.023 -0.139 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.293 -0.011 -1.206 1.00 0.78 H new ATOM 272 N GLY A 19 18.566 4.570 -1.989 1.00 0.38 N ATOM 273 CA GLY A 19 18.837 5.939 -2.306 1.00 0.45 C ATOM 274 C GLY A 19 18.028 6.401 -3.483 1.00 0.40 C ATOM 275 O GLY A 19 18.184 7.538 -3.930 1.00 0.48 O ATOM 0 H GLY A 19 17.577 4.352 -1.867 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.614 6.565 -1.442 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.898 6.060 -2.522 1.00 0.45 H new ATOM 279 N GLY A 20 17.158 5.540 -4.013 1.00 0.32 N ATOM 280 CA GLY A 20 16.275 5.996 -5.010 1.00 0.32 C ATOM 281 C GLY A 20 14.943 6.197 -4.418 1.00 0.30 C ATOM 282 O GLY A 20 14.779 6.790 -3.359 1.00 0.44 O ATOM 0 H GLY A 20 17.069 4.556 -3.758 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.641 6.929 -5.438 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.220 5.272 -5.823 1.00 0.32 H new ATOM 286 N SER A 21 14.014 5.675 -5.101 1.00 0.24 N ATOM 287 CA SER A 21 12.667 5.732 -4.724 1.00 0.22 C ATOM 288 C SER A 21 11.911 4.553 -5.262 1.00 0.22 C ATOM 289 O SER A 21 12.388 3.810 -6.114 1.00 0.25 O ATOM 290 CB SER A 21 12.067 7.009 -5.223 1.00 0.30 C ATOM 291 OG SER A 21 12.422 7.280 -6.570 1.00 0.82 O ATOM 0 H SER A 21 14.176 5.175 -5.975 1.00 0.24 H new ATOM 0 HA SER A 21 12.602 5.702 -3.636 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.982 6.955 -5.139 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.395 7.834 -4.590 1.00 0.30 H new ATOM 0 HG SER A 21 12.007 8.121 -6.855 1.00 0.82 H new ATOM 297 N ILE A 22 10.737 4.427 -4.753 1.00 0.22 N ATOM 298 CA ILE A 22 9.778 3.494 -5.189 1.00 0.24 C ATOM 299 C ILE A 22 8.426 4.110 -4.991 1.00 0.25 C ATOM 300 O ILE A 22 8.201 4.949 -4.121 1.00 0.27 O ATOM 301 CB ILE A 22 9.870 2.160 -4.458 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.953 1.124 -5.096 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.552 2.305 -2.976 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.313 0.787 -6.527 1.00 0.32 C ATOM 0 H ILE A 22 10.409 5.006 -3.980 1.00 0.22 H new ATOM 0 HA ILE A 22 9.961 3.268 -6.239 1.00 0.24 H new ATOM 0 HB ILE A 22 10.901 1.816 -4.547 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.981 0.212 -4.500 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.928 1.493 -5.066 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.628 1.332 -2.491 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.260 2.996 -2.518 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.540 2.691 -2.857 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.615 0.043 -6.912 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.257 1.688 -7.138 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.326 0.387 -6.563 1.00 0.32 H new ATOM 316 N THR A 23 7.566 3.718 -5.829 1.00 0.25 N ATOM 317 CA THR A 23 6.230 4.272 -5.860 1.00 0.23 C ATOM 318 C THR A 23 5.201 3.195 -6.097 1.00 0.24 C ATOM 319 O THR A 23 5.295 2.406 -7.035 1.00 0.28 O ATOM 320 CB THR A 23 6.064 5.374 -6.916 1.00 0.26 C ATOM 321 OG1 THR A 23 7.153 6.302 -6.824 1.00 0.31 O ATOM 322 CG2 THR A 23 4.740 6.121 -6.725 1.00 0.24 C ATOM 0 H THR A 23 7.741 2.999 -6.531 1.00 0.25 H new ATOM 0 HA THR A 23 6.072 4.723 -4.880 1.00 0.23 H new ATOM 0 HB THR A 23 6.060 4.906 -7.900 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.044 7.003 -7.501 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.647 6.896 -7.485 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.910 5.420 -6.817 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.720 6.579 -5.736 1.00 0.24 H new ATOM 330 N PHE A 24 4.243 3.177 -5.217 1.00 0.24 N ATOM 331 CA PHE A 24 3.114 2.289 -5.302 1.00 0.27 C ATOM 332 C PHE A 24 1.847 3.125 -5.315 1.00 0.24 C ATOM 333 O PHE A 24 1.791 4.197 -4.725 1.00 0.30 O ATOM 334 CB PHE A 24 3.086 1.355 -4.098 1.00 0.40 C ATOM 335 CG PHE A 24 4.389 0.668 -3.805 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.949 -0.202 -4.726 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.052 0.892 -2.617 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.150 -0.831 -4.465 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.253 0.267 -2.349 1.00 0.51 C ATOM 340 CZ PHE A 24 6.792 -0.609 -3.257 1.00 0.49 C ATOM 0 H PHE A 24 4.222 3.791 -4.402 1.00 0.24 H new ATOM 0 HA PHE A 24 3.188 1.690 -6.209 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.787 1.926 -3.219 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.320 0.597 -4.261 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.440 -0.391 -5.660 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.626 1.565 -1.887 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.587 -1.493 -5.198 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.770 0.468 -1.422 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.714 -1.124 -3.031 1.00 0.49 H new ATOM 350 N SER A 25 0.852 2.635 -5.994 1.00 0.28 N ATOM 351 CA SER A 25 -0.450 3.255 -6.023 1.00 0.28 C ATOM 352 C SER A 25 -1.500 2.180 -5.843 1.00 0.27 C ATOM 353 O SER A 25 -1.568 1.221 -6.606 1.00 0.31 O ATOM 354 CB SER A 25 -0.689 3.974 -7.335 1.00 0.35 C ATOM 355 OG SER A 25 0.531 4.390 -7.929 1.00 0.58 O ATOM 0 H SER A 25 0.917 1.783 -6.552 1.00 0.28 H new ATOM 0 HA SER A 25 -0.506 3.990 -5.220 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.223 3.315 -8.020 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.327 4.841 -7.165 1.00 0.35 H new ATOM 0 HG SER A 25 0.343 4.849 -8.774 1.00 0.58 H new ATOM 361 N ALA A 26 -2.297 2.356 -4.831 1.00 0.26 N ATOM 362 CA ALA A 26 -3.294 1.371 -4.439 1.00 0.26 C ATOM 363 C ALA A 26 -4.678 1.997 -4.354 1.00 0.22 C ATOM 364 O ALA A 26 -4.878 2.998 -3.673 1.00 0.25 O ATOM 365 CB ALA A 26 -2.898 0.750 -3.112 1.00 0.32 C ATOM 0 H ALA A 26 -2.283 3.189 -4.242 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.336 0.590 -5.199 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.645 0.012 -2.818 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.928 0.264 -3.213 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.837 1.527 -2.350 1.00 0.32 H new ATOM 371 N ARG A 27 -5.635 1.404 -5.046 1.00 0.22 N ATOM 372 CA ARG A 27 -6.973 1.964 -5.132 1.00 0.25 C ATOM 373 C ARG A 27 -7.990 1.067 -4.436 1.00 0.23 C ATOM 374 O ARG A 27 -8.127 -0.107 -4.783 1.00 0.31 O ATOM 375 CB ARG A 27 -7.375 2.141 -6.596 1.00 0.36 C ATOM 376 CG ARG A 27 -6.420 3.010 -7.393 1.00 0.28 C ATOM 377 CD ARG A 27 -6.885 3.160 -8.831 1.00 0.46 C ATOM 378 NE ARG A 27 -5.946 3.938 -9.634 1.00 1.22 N ATOM 379 CZ ARG A 27 -6.309 4.884 -10.500 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.590 5.187 -10.654 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.389 5.522 -11.211 1.00 2.43 N ATOM 0 H ARG A 27 -5.510 0.531 -5.559 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.962 2.933 -4.633 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.438 1.160 -7.067 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.372 2.579 -6.639 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.344 3.993 -6.928 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.423 2.571 -7.374 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -7.010 2.173 -9.276 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.862 3.643 -8.847 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.950 3.746 -9.526 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -8.299 4.696 -10.110 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.867 5.911 -11.317 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -4.403 5.289 -11.095 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -5.668 6.246 -11.873 1.00 2.43 H new ATOM 395 N VAL A 28 -8.716 1.628 -3.476 1.00 0.19 N ATOM 396 CA VAL A 28 -9.721 0.892 -2.757 1.00 0.20 C ATOM 397 C VAL A 28 -11.057 1.575 -2.902 1.00 0.23 C ATOM 398 O VAL A 28 -11.210 2.768 -2.642 1.00 0.24 O ATOM 399 CB VAL A 28 -9.411 0.747 -1.263 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.369 -0.254 -0.620 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.958 0.346 -1.059 1.00 0.23 C ATOM 0 H VAL A 28 -8.617 2.600 -3.184 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.738 -0.107 -3.192 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.558 1.709 -0.773 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.138 -0.348 0.441 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.394 0.096 -0.739 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.259 -1.225 -1.103 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.754 0.247 0.007 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.771 -0.607 -1.554 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.307 1.110 -1.484 1.00 0.23 H new ATOM 411 N ALA A 29 -11.989 0.797 -3.361 1.00 0.29 N ATOM 412 CA ALA A 29 -13.363 1.204 -3.521 1.00 0.32 C ATOM 413 C ALA A 29 -13.927 1.737 -2.224 1.00 0.34 C ATOM 414 O ALA A 29 -14.094 1.007 -1.246 1.00 0.40 O ATOM 415 CB ALA A 29 -14.206 0.041 -4.010 1.00 0.38 C ATOM 0 H ALA A 29 -11.816 -0.167 -3.644 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.391 2.002 -4.263 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.240 0.365 -4.126 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.825 -0.306 -4.970 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.159 -0.772 -3.286 1.00 0.38 H new ATOM 421 N GLY A 30 -14.169 3.026 -2.233 1.00 0.35 N ATOM 422 CA GLY A 30 -14.867 3.672 -1.149 1.00 0.42 C ATOM 423 C GLY A 30 -16.179 2.982 -0.857 1.00 0.50 C ATOM 424 O GLY A 30 -16.542 2.790 0.297 1.00 0.76 O ATOM 0 H GLY A 30 -13.889 3.653 -2.987 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.243 3.665 -0.256 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.050 4.716 -1.402 1.00 0.42 H new ATOM 428 N ALA A 31 -16.882 2.642 -1.939 1.00 0.49 N ATOM 429 CA ALA A 31 -18.109 1.850 -1.904 1.00 0.55 C ATOM 430 C ALA A 31 -19.142 2.339 -0.893 1.00 0.64 C ATOM 431 O ALA A 31 -19.083 3.464 -0.386 1.00 0.71 O ATOM 432 CB ALA A 31 -17.758 0.408 -1.621 1.00 0.58 C ATOM 0 H ALA A 31 -16.607 2.916 -2.882 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.577 1.959 -2.882 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.669 -0.190 -1.593 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.102 0.033 -2.406 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.250 0.339 -0.659 1.00 0.58 H new ATOM 438 N SER A 32 -20.121 1.484 -0.668 1.00 0.85 N ATOM 439 CA SER A 32 -21.109 1.671 0.371 1.00 0.96 C ATOM 440 C SER A 32 -21.006 0.483 1.322 1.00 1.01 C ATOM 441 O SER A 32 -21.110 -0.670 0.896 1.00 1.69 O ATOM 442 CB SER A 32 -22.499 1.761 -0.257 1.00 1.19 C ATOM 443 OG SER A 32 -22.473 2.603 -1.404 1.00 1.74 O ATOM 0 H SER A 32 -20.252 0.630 -1.210 1.00 0.85 H new ATOM 0 HA SER A 32 -20.936 2.596 0.922 1.00 0.96 H new ATOM 0 HB2 SER A 32 -22.843 0.765 -0.537 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.210 2.151 0.472 1.00 1.19 H new ATOM 0 HG SER A 32 -23.370 2.649 -1.796 1.00 1.74 H new ATOM 449 N LEU A 33 -20.778 0.759 2.595 1.00 0.96 N ATOM 450 CA LEU A 33 -20.428 -0.280 3.538 1.00 0.93 C ATOM 451 C LEU A 33 -20.902 0.021 4.950 1.00 0.90 C ATOM 452 O LEU A 33 -21.483 1.073 5.217 1.00 0.98 O ATOM 453 CB LEU A 33 -18.911 -0.542 3.545 1.00 0.99 C ATOM 454 CG LEU A 33 -17.904 0.631 3.717 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.087 0.785 2.452 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.541 1.964 4.084 1.00 1.95 C ATOM 0 H LEU A 33 -20.830 1.696 2.996 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.947 -1.177 3.199 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.712 -1.255 4.345 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.667 -1.039 2.606 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.272 0.363 4.564 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -16.381 1.607 2.572 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -16.540 -0.137 2.258 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.751 0.997 1.614 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.765 2.723 4.183 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -19.241 2.260 3.302 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -19.074 1.864 5.029 1.00 1.95 H new ATOM 468 N LEU A 34 -20.629 -0.919 5.845 1.00 0.87 N ATOM 469 CA LEU A 34 -20.952 -0.767 7.252 1.00 0.89 C ATOM 470 C LEU A 34 -20.028 0.266 7.868 1.00 0.84 C ATOM 471 O LEU A 34 -20.473 1.270 8.426 1.00 0.95 O ATOM 472 CB LEU A 34 -20.793 -2.096 7.977 1.00 1.01 C ATOM 473 CG LEU A 34 -21.345 -2.105 9.396 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.863 -2.102 9.375 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.814 -3.302 10.171 1.00 1.47 C ATOM 0 H LEU A 34 -20.179 -1.805 5.614 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.987 -0.439 7.348 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.293 -2.874 7.400 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.735 -2.355 8.010 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.010 -1.200 9.903 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.241 -2.109 10.397 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.218 -1.208 8.863 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.221 -2.987 8.850 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.220 -3.290 11.182 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.115 -4.222 9.670 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.726 -3.252 10.216 1.00 1.47 H new ATOM 487 N LYS A 35 -18.734 0.011 7.756 1.00 0.76 N ATOM 488 CA LYS A 35 -17.732 0.985 8.130 1.00 0.76 C ATOM 489 C LYS A 35 -16.731 1.148 7.003 1.00 0.65 C ATOM 490 O LYS A 35 -16.470 0.190 6.270 1.00 0.75 O ATOM 491 CB LYS A 35 -17.042 0.613 9.463 1.00 0.90 C ATOM 492 CG LYS A 35 -16.561 -0.837 9.593 1.00 0.92 C ATOM 493 CD LYS A 35 -15.332 -1.120 8.741 1.00 0.90 C ATOM 494 CE LYS A 35 -14.505 -2.280 9.282 1.00 1.00 C ATOM 495 NZ LYS A 35 -15.320 -3.498 9.532 1.00 1.40 N ATOM 0 H LYS A 35 -18.356 -0.869 7.406 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.224 1.943 8.296 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.185 1.272 9.601 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -17.737 0.818 10.278 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.332 -1.049 10.637 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.366 -1.511 9.300 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.644 -1.344 7.721 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.711 -0.225 8.695 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.712 -2.518 8.573 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.022 -1.975 10.210 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.693 -4.293 9.768 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.971 -3.324 10.324 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.867 -3.731 8.679 1.00 1.40 H new ATOM 509 N PRO A 36 -16.214 2.374 6.815 1.00 0.65 N ATOM 510 CA PRO A 36 -15.205 2.660 5.796 1.00 0.56 C ATOM 511 C PRO A 36 -14.114 1.608 5.803 1.00 0.45 C ATOM 512 O PRO A 36 -13.687 1.168 6.874 1.00 0.47 O ATOM 513 CB PRO A 36 -14.658 4.018 6.226 1.00 0.61 C ATOM 514 CG PRO A 36 -15.809 4.679 6.898 1.00 0.88 C ATOM 515 CD PRO A 36 -16.570 3.577 7.588 1.00 0.88 C ATOM 0 HA PRO A 36 -15.605 2.660 4.782 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.810 3.910 6.903 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.311 4.597 5.370 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -15.467 5.426 7.614 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -16.440 5.196 6.175 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -16.278 3.482 8.634 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.644 3.761 7.572 1.00 0.88 H new ATOM 523 N PRO A 37 -13.652 1.176 4.625 1.00 0.40 N ATOM 524 CA PRO A 37 -12.729 0.058 4.537 1.00 0.35 C ATOM 525 C PRO A 37 -11.460 0.313 5.308 1.00 0.32 C ATOM 526 O PRO A 37 -10.877 1.395 5.246 1.00 0.36 O ATOM 527 CB PRO A 37 -12.403 -0.061 3.061 1.00 0.40 C ATOM 528 CG PRO A 37 -13.487 0.689 2.355 1.00 0.53 C ATOM 529 CD PRO A 37 -13.944 1.760 3.302 1.00 0.47 C ATOM 0 HA PRO A 37 -13.172 -0.845 4.958 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.423 0.362 2.839 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.378 -1.104 2.747 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.118 1.123 1.426 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.311 0.026 2.092 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.406 2.695 3.145 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.005 1.979 3.182 1.00 0.47 H new ATOM 537 N VAL A 38 -11.029 -0.695 6.013 1.00 0.29 N ATOM 538 CA VAL A 38 -9.808 -0.622 6.742 1.00 0.27 C ATOM 539 C VAL A 38 -8.781 -1.296 5.907 1.00 0.22 C ATOM 540 O VAL A 38 -8.743 -2.517 5.774 1.00 0.20 O ATOM 541 CB VAL A 38 -9.838 -1.320 8.096 1.00 0.31 C ATOM 542 CG1 VAL A 38 -8.769 -0.746 9.014 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.215 -1.249 8.733 1.00 0.77 C ATOM 0 H VAL A 38 -11.518 -1.586 6.094 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.605 0.430 6.944 1.00 0.27 H new ATOM 0 HB VAL A 38 -9.617 -2.375 7.936 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -8.804 -1.256 9.977 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -7.787 -0.889 8.563 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -8.949 0.319 9.161 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.197 -1.758 9.697 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.495 -0.206 8.878 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -11.943 -1.733 8.081 1.00 0.77 H new ATOM 553 N VAL A 39 -7.995 -0.490 5.327 1.00 0.22 N ATOM 554 CA VAL A 39 -6.910 -0.932 4.533 1.00 0.21 C ATOM 555 C VAL A 39 -5.662 -0.664 5.303 1.00 0.20 C ATOM 556 O VAL A 39 -5.304 0.483 5.576 1.00 0.23 O ATOM 557 CB VAL A 39 -6.789 -0.181 3.209 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.973 -0.980 2.209 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.149 0.197 2.647 1.00 0.24 C ATOM 0 H VAL A 39 -8.082 0.525 5.386 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.071 -1.986 4.307 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.260 0.751 3.405 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.900 -0.426 1.273 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.973 -1.151 2.609 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.459 -1.938 2.026 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.018 0.729 1.705 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.735 -0.706 2.475 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.671 0.839 3.357 1.00 0.24 H new ATOM 569 N LYS A 40 -5.022 -1.706 5.657 1.00 0.19 N ATOM 570 CA LYS A 40 -3.782 -1.623 6.314 1.00 0.20 C ATOM 571 C LYS A 40 -2.685 -1.964 5.376 1.00 0.19 C ATOM 572 O LYS A 40 -2.722 -2.934 4.619 1.00 0.21 O ATOM 573 CB LYS A 40 -3.733 -2.492 7.557 1.00 0.26 C ATOM 574 CG LYS A 40 -4.087 -3.953 7.331 1.00 0.31 C ATOM 575 CD LYS A 40 -2.880 -4.778 6.869 1.00 0.37 C ATOM 576 CE LYS A 40 -1.807 -4.892 7.946 1.00 0.86 C ATOM 577 NZ LYS A 40 -2.207 -5.819 9.037 1.00 1.54 N ATOM 0 H LYS A 40 -5.350 -2.658 5.496 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.651 -0.594 6.649 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.730 -2.438 7.981 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.416 -2.078 8.299 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.482 -4.376 8.255 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.879 -4.022 6.585 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.213 -5.776 6.585 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.450 -4.320 5.978 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -0.878 -5.242 7.496 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -1.607 -3.905 8.364 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -1.449 -5.867 9.747 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -3.080 -5.473 9.484 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -2.373 -6.767 8.643 1.00 1.54 H new ATOM 591 N TRP A 41 -1.769 -1.087 5.384 1.00 0.18 N ATOM 592 CA TRP A 41 -0.540 -1.277 4.702 1.00 0.19 C ATOM 593 C TRP A 41 0.488 -1.915 5.597 1.00 0.21 C ATOM 594 O TRP A 41 0.607 -1.598 6.779 1.00 0.28 O ATOM 595 CB TRP A 41 -0.044 0.044 4.211 1.00 0.21 C ATOM 596 CG TRP A 41 -0.870 0.591 3.114 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.993 1.351 3.228 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.650 0.388 1.734 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.421 1.726 1.971 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.630 1.112 1.045 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.302 -0.321 1.011 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.685 1.145 -0.330 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.236 -0.302 -0.359 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.748 0.429 -1.017 1.00 0.33 C ATOM 0 H TRP A 41 -1.843 -0.194 5.872 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.708 -1.948 3.859 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.031 0.753 5.039 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.985 -0.064 3.867 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.474 1.619 4.157 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.197 2.356 1.769 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.078 -0.876 1.518 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.442 1.717 -0.846 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 0.958 -0.862 -0.935 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.771 0.430 -2.097 1.00 0.33 H new ATOM 615 N PHE A 42 1.243 -2.782 4.993 1.00 0.21 N ATOM 616 CA PHE A 42 2.317 -3.479 5.648 1.00 0.23 C ATOM 617 C PHE A 42 3.537 -3.228 4.811 1.00 0.26 C ATOM 618 O PHE A 42 3.514 -3.467 3.613 1.00 0.34 O ATOM 619 CB PHE A 42 2.023 -4.974 5.706 1.00 0.26 C ATOM 620 CG PHE A 42 2.883 -5.767 6.646 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.531 -5.901 7.975 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.025 -6.408 6.189 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.305 -6.656 8.836 1.00 0.62 C ATOM 624 CE2 PHE A 42 4.799 -7.166 7.043 1.00 0.50 C ATOM 625 CZ PHE A 42 4.438 -7.291 8.368 1.00 0.60 C ATOM 0 H PHE A 42 1.130 -3.032 4.011 1.00 0.21 H new ATOM 0 HA PHE A 42 2.450 -3.134 6.673 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.980 -5.110 5.993 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.134 -5.387 4.704 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.642 -5.411 8.345 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.312 -6.313 5.152 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.024 -6.749 9.875 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.686 -7.660 6.675 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.041 -7.885 9.039 1.00 0.60 H new ATOM 635 N LYS A 43 4.585 -2.734 5.403 1.00 0.28 N ATOM 636 CA LYS A 43 5.731 -2.367 4.626 1.00 0.31 C ATOM 637 C LYS A 43 6.754 -3.442 4.829 1.00 0.39 C ATOM 638 O LYS A 43 7.314 -3.559 5.927 1.00 0.81 O ATOM 639 CB LYS A 43 6.311 -1.026 5.043 1.00 0.40 C ATOM 640 CG LYS A 43 7.758 -0.864 4.615 1.00 0.54 C ATOM 641 CD LYS A 43 8.325 0.473 5.019 1.00 0.67 C ATOM 642 CE LYS A 43 8.458 0.603 6.524 1.00 1.29 C ATOM 643 NZ LYS A 43 9.200 1.832 6.904 1.00 2.17 N ATOM 0 H LYS A 43 4.670 -2.578 6.407 1.00 0.28 H new ATOM 0 HA LYS A 43 5.440 -2.267 3.580 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.714 -0.224 4.608 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.242 -0.924 6.126 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.357 -1.660 5.058 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.830 -0.975 3.533 1.00 0.54 H new ATOM 0 HD2 LYS A 43 9.303 0.607 4.556 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.682 1.268 4.642 1.00 0.67 H new ATOM 0 HE2 LYS A 43 7.467 0.621 6.977 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.974 -0.271 6.921 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 9.747 1.653 7.770 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.847 2.099 6.135 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.526 2.606 7.074 1.00 2.17 H new ATOM 657 N GLY A 44 6.998 -4.250 3.832 1.00 0.64 N ATOM 658 CA GLY A 44 7.722 -5.441 4.153 1.00 0.92 C ATOM 659 C GLY A 44 9.195 -5.238 4.286 1.00 0.39 C ATOM 660 O GLY A 44 9.936 -5.274 3.317 1.00 1.23 O ATOM 0 H GLY A 44 6.727 -4.119 2.857 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.336 -5.848 5.087 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.537 -6.186 3.380 1.00 0.92 H new ATOM 664 N LYS A 45 9.578 -4.977 5.508 1.00 0.85 N ATOM 665 CA LYS A 45 10.753 -5.518 6.125 1.00 1.06 C ATOM 666 C LYS A 45 10.219 -6.546 7.109 1.00 0.74 C ATOM 667 O LYS A 45 10.797 -7.601 7.360 1.00 0.82 O ATOM 668 CB LYS A 45 11.516 -4.409 6.845 1.00 1.67 C ATOM 669 CG LYS A 45 13.020 -4.589 6.859 1.00 2.44 C ATOM 670 CD LYS A 45 13.708 -3.380 7.470 1.00 2.82 C ATOM 671 CE LYS A 45 15.129 -3.688 7.892 1.00 2.98 C ATOM 672 NZ LYS A 45 15.684 -2.596 8.730 1.00 3.87 N ATOM 0 H LYS A 45 9.055 -4.355 6.124 1.00 0.85 H new ATOM 0 HA LYS A 45 11.448 -5.961 5.412 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.281 -3.456 6.370 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.160 -4.349 7.874 1.00 1.67 H new ATOM 0 HG2 LYS A 45 13.277 -5.483 7.426 1.00 2.44 H new ATOM 0 HG3 LYS A 45 13.381 -4.742 5.842 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.713 -2.563 6.748 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.139 -3.038 8.335 1.00 2.82 H new ATOM 0 HE2 LYS A 45 15.152 -4.625 8.448 1.00 2.98 H new ATOM 0 HE3 LYS A 45 15.753 -3.826 7.009 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 16.344 -2.025 8.164 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 14.909 -1.992 9.071 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 16.188 -3.004 9.543 1.00 3.87 H new ATOM 686 N TRP A 46 9.026 -6.161 7.608 1.00 0.58 N ATOM 687 CA TRP A 46 8.351 -6.710 8.781 1.00 0.57 C ATOM 688 C TRP A 46 7.332 -5.712 9.363 1.00 0.63 C ATOM 689 O TRP A 46 6.510 -6.074 10.203 1.00 0.74 O ATOM 690 CB TRP A 46 9.314 -7.052 9.906 1.00 0.76 C ATOM 691 CG TRP A 46 10.497 -6.148 10.055 1.00 0.97 C ATOM 692 CD1 TRP A 46 10.515 -4.798 9.921 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.832 -6.538 10.393 1.00 1.27 C ATOM 694 NE1 TRP A 46 11.790 -4.324 10.071 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.615 -5.372 10.395 1.00 1.42 C ATOM 696 CE3 TRP A 46 12.443 -7.762 10.679 1.00 1.66 C ATOM 697 CZ2 TRP A 46 13.979 -5.394 10.673 1.00 1.78 C ATOM 698 CZ3 TRP A 46 13.796 -7.783 10.962 1.00 2.10 C ATOM 699 CH2 TRP A 46 14.551 -6.604 10.958 1.00 2.11 C ATOM 0 H TRP A 46 8.485 -5.415 7.171 1.00 0.58 H new ATOM 0 HA TRP A 46 7.859 -7.615 8.424 1.00 0.57 H new ATOM 0 HB2 TRP A 46 8.760 -7.050 10.845 1.00 0.76 H new ATOM 0 HB3 TRP A 46 9.676 -8.068 9.751 1.00 0.76 H new ATOM 0 HD1 TRP A 46 9.648 -4.185 9.724 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.079 -3.352 9.960 1.00 1.38 H new ATOM 0 HE3 TRP A 46 11.868 -8.676 10.679 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 14.566 -4.487 10.664 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 14.278 -8.723 11.189 1.00 2.10 H new ATOM 0 HH2 TRP A 46 15.606 -6.650 11.184 1.00 2.11 H new ATOM 710 N VAL A 47 7.414 -4.459 8.924 1.00 0.63 N ATOM 711 CA VAL A 47 6.734 -3.363 9.506 1.00 0.74 C ATOM 712 C VAL A 47 5.424 -3.081 8.813 1.00 0.59 C ATOM 713 O VAL A 47 5.067 -3.666 7.798 1.00 0.57 O ATOM 714 CB VAL A 47 7.575 -2.070 9.480 1.00 0.90 C ATOM 715 CG1 VAL A 47 7.984 -1.663 10.884 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.803 -2.203 8.595 1.00 1.29 C ATOM 0 H VAL A 47 7.985 -4.195 8.121 1.00 0.63 H new ATOM 0 HA VAL A 47 6.551 -3.655 10.540 1.00 0.74 H new ATOM 0 HB VAL A 47 6.944 -1.290 9.054 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.576 -0.749 10.840 1.00 1.20 H new ATOM 0 HG12 VAL A 47 7.093 -1.489 11.487 1.00 1.20 H new ATOM 0 HG13 VAL A 47 8.578 -2.458 11.335 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.364 -1.268 8.608 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.434 -3.010 8.967 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.493 -2.426 7.574 1.00 1.29 H new ATOM 726 N ASP A 48 4.746 -2.170 9.419 1.00 0.60 N ATOM 727 CA ASP A 48 3.541 -1.580 8.967 1.00 0.56 C ATOM 728 C ASP A 48 3.908 -0.207 8.460 1.00 0.58 C ATOM 729 O ASP A 48 4.925 0.332 8.871 1.00 0.96 O ATOM 730 CB ASP A 48 2.609 -1.431 10.152 1.00 0.73 C ATOM 731 CG ASP A 48 2.070 -2.755 10.671 1.00 1.88 C ATOM 732 OD1 ASP A 48 2.765 -3.405 11.479 1.00 2.73 O ATOM 733 OD2 ASP A 48 0.945 -3.139 10.285 1.00 2.22 O ATOM 0 H ASP A 48 5.047 -1.790 10.316 1.00 0.60 H new ATOM 0 HA ASP A 48 3.057 -2.177 8.194 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.138 -0.922 10.958 1.00 0.73 H new ATOM 0 HB3 ASP A 48 1.772 -0.794 9.868 1.00 0.73 H new ATOM 738 N LEU A 49 3.130 0.355 7.580 1.00 0.39 N ATOM 739 CA LEU A 49 3.397 1.701 7.112 1.00 0.35 C ATOM 740 C LEU A 49 2.810 2.732 8.037 1.00 0.41 C ATOM 741 O LEU A 49 3.420 3.766 8.237 1.00 0.44 O ATOM 742 CB LEU A 49 2.849 1.960 5.708 1.00 0.29 C ATOM 743 CG LEU A 49 3.624 1.400 4.511 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.258 -0.022 4.193 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.325 2.212 3.293 1.00 0.28 C ATOM 0 H LEU A 49 2.308 -0.088 7.169 1.00 0.39 H new ATOM 0 HA LEU A 49 4.483 1.787 7.089 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.837 1.557 5.667 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.768 3.039 5.576 1.00 0.29 H new ATOM 0 HG LEU A 49 4.679 1.442 4.784 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.839 -0.364 3.336 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.474 -0.655 5.054 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.195 -0.080 3.957 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.878 1.811 2.444 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.256 2.172 3.082 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.622 3.247 3.464 1.00 0.28 H new ATOM 757 N SER A 50 1.691 2.413 8.662 1.00 0.48 N ATOM 758 CA SER A 50 0.879 3.377 9.363 1.00 0.58 C ATOM 759 C SER A 50 1.690 4.061 10.436 1.00 0.62 C ATOM 760 O SER A 50 1.365 5.156 10.893 1.00 0.70 O ATOM 761 CB SER A 50 -0.313 2.647 9.958 1.00 0.73 C ATOM 762 OG SER A 50 0.010 1.288 10.206 1.00 1.23 O ATOM 0 H SER A 50 1.320 1.463 8.694 1.00 0.48 H new ATOM 0 HA SER A 50 0.528 4.149 8.678 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.616 3.130 10.887 1.00 0.73 H new ATOM 0 HB3 SER A 50 -1.161 2.707 9.276 1.00 0.73 H new ATOM 0 HG SER A 50 -0.767 0.832 10.591 1.00 1.23 H new ATOM 768 N SER A 51 2.768 3.406 10.813 1.00 0.64 N ATOM 769 CA SER A 51 3.590 3.896 11.862 1.00 0.75 C ATOM 770 C SER A 51 4.712 4.768 11.318 1.00 0.72 C ATOM 771 O SER A 51 5.187 5.693 11.974 1.00 0.85 O ATOM 772 CB SER A 51 4.166 2.723 12.644 1.00 0.90 C ATOM 773 OG SER A 51 4.892 3.155 13.783 1.00 1.34 O ATOM 0 H SER A 51 3.084 2.530 10.397 1.00 0.64 H new ATOM 0 HA SER A 51 2.981 4.512 12.524 1.00 0.75 H new ATOM 0 HB2 SER A 51 3.357 2.063 12.957 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.820 2.140 11.996 1.00 0.90 H new ATOM 0 HG SER A 51 5.245 2.376 14.261 1.00 1.34 H new ATOM 779 N LYS A 52 5.124 4.442 10.116 1.00 0.62 N ATOM 780 CA LYS A 52 6.325 5.000 9.534 1.00 0.66 C ATOM 781 C LYS A 52 6.021 6.150 8.585 1.00 0.67 C ATOM 782 O LYS A 52 6.756 7.131 8.536 1.00 1.09 O ATOM 783 CB LYS A 52 7.082 3.902 8.792 1.00 0.65 C ATOM 784 CG LYS A 52 6.704 2.469 9.164 1.00 0.70 C ATOM 785 CD LYS A 52 6.742 2.158 10.668 1.00 0.78 C ATOM 786 CE LYS A 52 8.093 2.447 11.316 1.00 1.02 C ATOM 787 NZ LYS A 52 8.086 2.146 12.778 1.00 1.40 N ATOM 0 H LYS A 52 4.636 3.781 9.511 1.00 0.62 H new ATOM 0 HA LYS A 52 6.936 5.400 10.343 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.921 4.035 7.722 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.149 4.036 8.973 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.700 2.265 8.791 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.380 1.786 8.650 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.974 2.745 11.172 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.492 1.108 10.820 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.865 1.852 10.827 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.352 3.494 11.162 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 9.022 2.356 13.180 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 7.367 2.732 13.250 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.864 1.141 12.924 1.00 1.40 H new ATOM 801 N VAL A 53 4.985 5.939 7.797 1.00 0.34 N ATOM 802 CA VAL A 53 4.389 6.902 6.886 1.00 0.32 C ATOM 803 C VAL A 53 4.684 8.335 7.266 1.00 0.33 C ATOM 804 O VAL A 53 4.045 8.949 8.127 1.00 0.37 O ATOM 805 CB VAL A 53 2.874 6.653 6.794 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.132 7.757 6.060 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.630 5.343 6.097 1.00 0.35 C ATOM 0 H VAL A 53 4.507 5.038 7.773 1.00 0.34 H new ATOM 0 HA VAL A 53 4.844 6.754 5.906 1.00 0.32 H new ATOM 0 HB VAL A 53 2.490 6.633 7.814 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.068 7.522 6.029 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.280 8.703 6.581 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.515 7.839 5.043 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.557 5.161 6.029 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.056 5.379 5.094 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.099 4.537 6.662 1.00 0.35 H new ATOM 817 N GLY A 54 5.708 8.814 6.618 1.00 0.35 N ATOM 818 CA GLY A 54 6.145 10.180 6.782 1.00 0.41 C ATOM 819 C GLY A 54 6.809 10.745 5.545 1.00 0.44 C ATOM 820 O GLY A 54 6.264 10.669 4.450 1.00 0.70 O ATOM 0 H GLY A 54 6.267 8.271 5.959 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.287 10.801 7.042 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.842 10.234 7.618 1.00 0.41 H new ATOM 824 N GLN A 55 8.012 11.271 5.716 1.00 0.36 N ATOM 825 CA GLN A 55 8.633 12.099 4.687 1.00 0.43 C ATOM 826 C GLN A 55 9.368 11.276 3.623 1.00 0.39 C ATOM 827 O GLN A 55 9.622 11.771 2.526 1.00 0.50 O ATOM 828 CB GLN A 55 9.582 13.109 5.333 1.00 0.61 C ATOM 829 CG GLN A 55 8.889 14.026 6.329 1.00 1.43 C ATOM 830 CD GLN A 55 9.823 15.049 6.947 1.00 2.08 C ATOM 831 OE1 GLN A 55 9.634 15.462 8.089 1.00 2.75 O ATOM 832 NE2 GLN A 55 10.824 15.485 6.193 1.00 2.69 N ATOM 0 H GLN A 55 8.579 11.141 6.554 1.00 0.36 H new ATOM 0 HA GLN A 55 7.831 12.627 4.172 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.384 12.572 5.839 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.045 13.713 4.553 1.00 0.61 H new ATOM 0 HG2 GLN A 55 8.072 14.545 5.828 1.00 1.43 H new ATOM 0 HG3 GLN A 55 8.445 13.423 7.121 1.00 1.43 H new ATOM 0 HE21 GLN A 55 10.949 15.118 5.249 1.00 2.69 H new ATOM 0 HE22 GLN A 55 11.469 16.187 6.557 1.00 2.69 H new ATOM 841 N HIS A 56 9.718 10.030 3.933 1.00 0.36 N ATOM 842 CA HIS A 56 10.364 9.171 2.934 1.00 0.41 C ATOM 843 C HIS A 56 9.353 8.205 2.330 1.00 0.35 C ATOM 844 O HIS A 56 9.386 7.910 1.149 1.00 0.42 O ATOM 845 CB HIS A 56 11.552 8.410 3.534 1.00 0.54 C ATOM 846 CG HIS A 56 11.186 7.180 4.303 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.146 5.927 3.733 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.818 7.018 5.593 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.761 5.048 4.635 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.558 5.681 5.780 1.00 1.33 N ATOM 0 H HIS A 56 9.571 9.597 4.845 1.00 0.36 H new ATOM 0 HA HIS A 56 10.750 9.811 2.141 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.230 8.129 2.728 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.101 9.083 4.192 1.00 0.54 H new ATOM 0 HD2 HIS A 56 10.742 7.795 6.339 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.632 3.989 4.469 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.259 5.249 6.654 1.00 1.33 H new ATOM 859 N LEU A 57 8.460 7.732 3.172 1.00 0.28 N ATOM 860 CA LEU A 57 7.328 6.925 2.766 1.00 0.25 C ATOM 861 C LEU A 57 6.105 7.707 3.144 1.00 0.23 C ATOM 862 O LEU A 57 5.737 7.756 4.303 1.00 0.29 O ATOM 863 CB LEU A 57 7.399 5.556 3.517 1.00 0.38 C ATOM 864 CG LEU A 57 6.194 4.565 3.549 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.841 4.249 4.987 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.966 5.055 2.799 1.00 1.10 C ATOM 0 H LEU A 57 8.500 7.900 4.177 1.00 0.28 H new ATOM 0 HA LEU A 57 7.316 6.711 1.697 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.243 5.010 3.096 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.649 5.779 4.554 1.00 0.38 H new ATOM 0 HG LEU A 57 6.517 3.665 3.025 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.999 3.557 5.011 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.700 3.794 5.481 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.570 5.169 5.506 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.175 4.309 2.870 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.622 5.992 3.237 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.220 5.216 1.751 1.00 1.10 H new ATOM 878 N GLN A 58 5.487 8.306 2.161 1.00 0.20 N ATOM 879 CA GLN A 58 4.195 8.842 2.327 1.00 0.21 C ATOM 880 C GLN A 58 3.253 7.790 1.843 1.00 0.18 C ATOM 881 O GLN A 58 3.246 7.429 0.671 1.00 0.19 O ATOM 882 CB GLN A 58 3.985 10.103 1.484 1.00 0.27 C ATOM 883 CG GLN A 58 5.018 11.198 1.674 1.00 0.46 C ATOM 884 CD GLN A 58 6.300 10.968 0.904 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.407 11.339 -0.263 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.291 10.401 1.557 1.00 0.28 N ATOM 0 H GLN A 58 5.880 8.428 1.228 1.00 0.20 H new ATOM 0 HA GLN A 58 4.038 9.117 3.370 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.974 9.817 0.432 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.001 10.512 1.714 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.586 12.150 1.366 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.253 11.283 2.735 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.162 10.107 2.525 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.189 10.255 1.095 1.00 0.28 H new ATOM 895 N LEU A 59 2.490 7.304 2.746 1.00 0.20 N ATOM 896 CA LEU A 59 1.365 6.494 2.417 1.00 0.20 C ATOM 897 C LEU A 59 0.200 7.460 2.491 1.00 0.21 C ATOM 898 O LEU A 59 -0.375 7.715 3.547 1.00 0.23 O ATOM 899 CB LEU A 59 1.259 5.320 3.408 1.00 0.23 C ATOM 900 CG LEU A 59 0.353 4.150 3.060 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.194 3.326 4.321 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.966 4.619 2.484 1.00 0.23 C ATOM 0 H LEU A 59 2.623 7.454 3.746 1.00 0.20 H new ATOM 0 HA LEU A 59 1.416 6.022 1.436 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.263 4.926 3.562 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.925 5.724 4.364 1.00 0.23 H new ATOM 0 HG LEU A 59 0.791 3.533 2.275 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.451 2.471 4.118 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.171 2.973 4.650 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.252 3.940 5.103 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.587 3.755 2.247 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.479 5.246 3.213 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.783 5.194 1.576 1.00 0.23 H new ATOM 914 N HIS A 60 -0.069 8.030 1.348 1.00 0.22 N ATOM 915 CA HIS A 60 -0.978 9.103 1.179 1.00 0.25 C ATOM 916 C HIS A 60 -2.266 8.562 0.680 1.00 0.24 C ATOM 917 O HIS A 60 -2.366 7.431 0.236 1.00 0.26 O ATOM 918 CB HIS A 60 -0.421 10.127 0.191 1.00 0.37 C ATOM 919 CG HIS A 60 -0.992 11.506 0.308 1.00 0.79 C ATOM 920 ND1 HIS A 60 -1.674 12.130 -0.712 1.00 1.48 N ATOM 921 CD2 HIS A 60 -0.915 12.406 1.313 1.00 1.65 C ATOM 922 CE1 HIS A 60 -1.986 13.358 -0.341 1.00 1.91 C ATOM 923 NE2 HIS A 60 -1.537 13.551 0.884 1.00 2.03 N ATOM 0 H HIS A 60 0.367 7.736 0.474 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.131 9.604 2.135 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.659 10.186 0.325 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.597 9.763 -0.821 1.00 0.37 H new ATOM 0 HD1 HIS A 60 -1.902 11.710 -1.613 1.00 1.48 H new ATOM 0 HD2 HIS A 60 -0.450 12.252 2.276 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -2.519 14.082 -0.939 1.00 1.91 H new ATOM 932 N ASP A 61 -3.226 9.380 0.789 1.00 0.29 N ATOM 933 CA ASP A 61 -4.558 9.045 0.440 1.00 0.32 C ATOM 934 C ASP A 61 -5.216 10.126 -0.345 1.00 0.35 C ATOM 935 O ASP A 61 -5.256 11.304 0.017 1.00 0.48 O ATOM 936 CB ASP A 61 -5.416 8.712 1.632 1.00 0.44 C ATOM 937 CG ASP A 61 -5.138 9.556 2.858 1.00 0.54 C ATOM 938 OD1 ASP A 61 -5.460 10.764 2.842 1.00 0.92 O ATOM 939 OD2 ASP A 61 -4.620 9.012 3.853 1.00 0.73 O ATOM 0 H ASP A 61 -3.116 10.334 1.133 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.472 8.150 -0.176 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.464 8.830 1.355 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.270 7.662 1.888 1.00 0.44 H new ATOM 944 N SER A 62 -5.694 9.672 -1.436 1.00 0.29 N ATOM 945 CA SER A 62 -6.577 10.423 -2.288 1.00 0.32 C ATOM 946 C SER A 62 -7.982 9.909 -2.083 1.00 0.32 C ATOM 947 O SER A 62 -8.186 8.733 -1.796 1.00 0.41 O ATOM 948 CB SER A 62 -6.185 10.305 -3.759 1.00 0.40 C ATOM 949 OG SER A 62 -4.779 10.153 -3.908 1.00 0.47 O ATOM 0 H SER A 62 -5.485 8.738 -1.788 1.00 0.29 H new ATOM 0 HA SER A 62 -6.510 11.478 -2.024 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.695 9.452 -4.206 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.516 11.192 -4.298 1.00 0.40 H new ATOM 0 HG SER A 62 -4.510 9.266 -3.589 1.00 0.47 H new ATOM 955 N TYR A 63 -8.937 10.786 -2.216 1.00 0.38 N ATOM 956 CA TYR A 63 -10.309 10.450 -1.984 1.00 0.45 C ATOM 957 C TYR A 63 -11.206 11.140 -2.971 1.00 0.47 C ATOM 958 O TYR A 63 -11.464 12.343 -2.889 1.00 0.54 O ATOM 959 CB TYR A 63 -10.706 10.773 -0.550 1.00 0.64 C ATOM 960 CG TYR A 63 -12.178 11.084 -0.341 1.00 0.63 C ATOM 961 CD1 TYR A 63 -13.136 10.083 -0.454 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.606 12.365 -0.028 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.478 10.351 -0.260 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.947 12.641 0.171 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.873 11.676 0.027 1.00 1.07 C ATOM 966 OH TYR A 63 -16.217 11.897 0.255 1.00 1.39 O ATOM 0 H TYR A 63 -8.783 11.757 -2.489 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.428 9.376 -2.129 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.436 9.928 0.084 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.119 11.627 -0.211 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.826 9.078 -0.698 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.881 13.160 0.062 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -15.211 9.561 -0.327 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.253 13.640 0.444 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.365 12.847 0.443 1.00 1.39 H new ATOM 976 N ASP A 64 -11.612 10.382 -3.947 1.00 0.47 N ATOM 977 CA ASP A 64 -12.631 10.801 -4.851 1.00 0.57 C ATOM 978 C ASP A 64 -13.865 9.940 -4.713 1.00 0.57 C ATOM 979 O ASP A 64 -13.871 8.773 -5.079 1.00 0.63 O ATOM 980 CB ASP A 64 -12.128 10.792 -6.275 1.00 0.71 C ATOM 981 CG ASP A 64 -11.079 9.735 -6.584 1.00 1.53 C ATOM 982 OD1 ASP A 64 -11.191 8.616 -6.036 1.00 2.42 O ATOM 983 OD2 ASP A 64 -10.132 10.020 -7.339 1.00 2.00 O ATOM 0 H ASP A 64 -11.240 9.451 -4.135 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.903 11.825 -4.595 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.977 10.645 -6.942 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.710 11.773 -6.502 1.00 0.71 H new ATOM 988 N ARG A 65 -14.903 10.526 -4.163 1.00 0.60 N ATOM 989 CA ARG A 65 -16.177 9.858 -4.000 1.00 0.64 C ATOM 990 C ARG A 65 -16.888 9.707 -5.335 1.00 0.74 C ATOM 991 O ARG A 65 -17.613 8.742 -5.555 1.00 0.88 O ATOM 992 CB ARG A 65 -17.050 10.624 -3.018 1.00 0.74 C ATOM 993 CG ARG A 65 -17.699 9.702 -2.022 1.00 0.86 C ATOM 994 CD ARG A 65 -18.646 8.731 -2.713 1.00 1.00 C ATOM 995 NE ARG A 65 -19.964 9.323 -2.951 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.937 8.744 -3.660 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.757 7.546 -4.199 1.00 2.46 N ATOM 998 NH2 ARG A 65 -22.097 9.363 -3.815 1.00 2.07 N ATOM 0 H ARG A 65 -14.889 11.484 -3.814 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.991 8.860 -3.602 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.445 11.363 -2.492 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.819 11.171 -3.563 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.932 9.146 -1.483 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.247 10.287 -1.283 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.213 8.417 -3.663 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.756 7.836 -2.101 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.152 10.241 -2.548 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.870 7.059 -4.074 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -21.506 7.112 -4.739 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.246 10.280 -3.394 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.842 8.923 -4.356 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.659 10.661 -6.218 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.181 10.603 -7.581 1.00 0.93 C ATOM 1014 C ALA A 66 -16.526 9.466 -8.353 1.00 0.83 C ATOM 1015 O ALA A 66 -16.990 9.063 -9.419 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.965 11.928 -8.295 1.00 1.15 C ATOM 0 H ALA A 66 -16.109 11.496 -6.017 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.253 10.414 -7.531 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -17.361 11.864 -9.309 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.481 12.721 -7.754 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.899 12.150 -8.335 1.00 1.15 H new ATOM 1022 N SER A 67 -15.437 8.964 -7.802 1.00 0.72 N ATOM 1023 CA SER A 67 -14.775 7.797 -8.332 1.00 0.72 C ATOM 1024 C SER A 67 -15.056 6.638 -7.394 1.00 0.58 C ATOM 1025 O SER A 67 -14.970 5.473 -7.777 1.00 0.63 O ATOM 1026 CB SER A 67 -13.273 8.056 -8.451 1.00 0.83 C ATOM 1027 OG SER A 67 -12.638 7.112 -9.298 1.00 1.41 O ATOM 0 H SER A 67 -14.990 9.357 -6.974 1.00 0.72 H new ATOM 0 HA SER A 67 -15.147 7.561 -9.329 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.108 9.061 -8.840 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.819 8.018 -7.461 1.00 0.83 H new ATOM 0 HG SER A 67 -11.680 7.312 -9.350 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.433 6.996 -6.163 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.726 6.034 -5.115 1.00 0.50 C ATOM 1035 C LYS A 68 -14.484 5.198 -4.838 1.00 0.44 C ATOM 1036 O LYS A 68 -14.556 3.994 -4.614 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.910 5.169 -5.544 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.500 4.278 -4.460 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.292 5.043 -3.401 1.00 1.38 C ATOM 1040 CE LYS A 68 -17.404 5.642 -2.308 1.00 2.27 C ATOM 1041 NZ LYS A 68 -18.163 5.899 -1.049 1.00 3.31 N ATOM 0 H LYS A 68 -15.542 7.967 -5.872 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.999 6.544 -4.191 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.697 5.823 -5.920 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -16.594 4.539 -6.375 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -18.152 3.538 -4.925 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.693 3.731 -3.973 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.855 5.842 -3.883 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -19.019 4.372 -2.944 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -16.577 4.963 -2.100 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.969 6.575 -2.666 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -17.675 6.629 -0.492 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -19.122 6.225 -1.283 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -18.221 5.022 -0.494 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.343 5.865 -4.843 1.00 0.34 N ATOM 1056 CA VAL A 69 -12.075 5.235 -4.577 1.00 0.31 C ATOM 1057 C VAL A 69 -11.283 6.072 -3.591 1.00 0.29 C ATOM 1058 O VAL A 69 -11.344 7.301 -3.588 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.213 5.079 -5.849 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -10.019 4.182 -5.583 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -12.025 4.540 -7.012 1.00 0.43 C ATOM 0 H VAL A 69 -13.277 6.865 -5.034 1.00 0.34 H new ATOM 0 HA VAL A 69 -12.298 4.245 -4.178 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.854 6.071 -6.122 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.426 4.086 -6.493 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.406 4.617 -4.794 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.366 3.197 -5.271 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.385 4.444 -7.889 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.431 3.563 -6.750 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.843 5.226 -7.233 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.586 5.386 -2.736 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.531 5.970 -1.958 1.00 0.25 C ATOM 1073 C TYR A 70 -8.239 5.485 -2.553 1.00 0.22 C ATOM 1074 O TYR A 70 -7.932 4.291 -2.518 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.575 5.551 -0.501 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.939 5.637 0.130 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.556 6.863 0.320 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.612 4.491 0.529 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.805 6.947 0.894 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.863 4.563 1.104 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.450 5.794 1.299 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.701 5.879 1.863 1.00 0.93 O ATOM 0 H TYR A 70 -10.734 4.393 -2.556 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.634 7.055 -1.982 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.214 4.526 -0.419 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.886 6.177 0.066 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.050 7.766 0.013 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -11.148 3.526 0.387 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.278 7.909 1.027 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.379 3.661 1.399 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.018 4.981 2.092 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.512 6.394 -3.119 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.238 6.066 -3.705 1.00 0.19 C ATOM 1094 C LEU A 71 -5.159 6.334 -2.696 1.00 0.20 C ATOM 1095 O LEU A 71 -4.796 7.467 -2.414 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.966 6.841 -5.000 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.503 6.810 -5.497 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.955 5.385 -5.546 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.397 7.458 -6.868 1.00 0.52 C ATOM 0 H LEU A 71 -7.775 7.377 -3.192 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.251 5.010 -3.976 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.607 6.440 -5.785 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.259 7.880 -4.850 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.901 7.375 -4.786 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.924 5.404 -5.900 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.988 4.948 -4.548 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.561 4.785 -6.225 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.361 7.429 -7.205 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -5.024 6.916 -7.576 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.730 8.494 -6.807 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.660 5.270 -2.167 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.557 5.326 -1.275 1.00 0.21 C ATOM 1113 C PHE A 72 -2.288 5.270 -2.088 1.00 0.23 C ATOM 1114 O PHE A 72 -1.987 4.293 -2.777 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.621 4.193 -0.274 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.800 4.262 0.654 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.750 5.030 1.804 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -5.961 3.550 0.379 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.831 5.090 2.663 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.044 3.606 1.235 1.00 0.30 C ATOM 1121 CZ PHE A 72 -6.979 4.377 2.378 1.00 0.30 C ATOM 0 H PHE A 72 -5.010 4.329 -2.344 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.582 6.255 -0.706 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.652 3.247 -0.814 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.706 4.193 0.318 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.855 5.589 2.033 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.018 2.946 -0.514 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.778 5.694 3.557 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.940 3.047 1.010 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.824 4.423 3.048 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.586 6.350 -2.004 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.370 6.556 -2.740 1.00 0.26 C ATOM 1133 C GLU A 73 0.780 6.256 -1.840 1.00 0.20 C ATOM 1134 O GLU A 73 0.836 6.709 -0.706 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.178 7.996 -3.200 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.401 8.702 -3.739 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.114 10.179 -3.897 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.312 10.542 -4.785 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -1.625 10.980 -3.085 1.00 1.32 O ATOM 0 H GLU A 73 -1.843 7.137 -1.409 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.425 5.910 -3.616 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.207 8.574 -2.360 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.591 8.007 -3.973 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.686 8.273 -4.700 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.243 8.556 -3.063 1.00 0.59 H new ATOM 1146 N LEU A 74 1.684 5.509 -2.345 1.00 0.21 N ATOM 1147 CA LEU A 74 2.927 5.304 -1.687 1.00 0.21 C ATOM 1148 C LEU A 74 3.941 6.123 -2.387 1.00 0.20 C ATOM 1149 O LEU A 74 4.247 5.899 -3.557 1.00 0.25 O ATOM 1150 CB LEU A 74 3.400 3.872 -1.756 1.00 0.27 C ATOM 1151 CG LEU A 74 2.545 2.861 -1.021 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.485 3.242 0.431 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.153 2.772 -1.618 1.00 0.96 C ATOM 0 H LEU A 74 1.588 5.016 -3.233 1.00 0.21 H new ATOM 0 HA LEU A 74 2.794 5.572 -0.639 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.458 3.578 -2.804 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.413 3.824 -1.355 1.00 0.27 H new ATOM 0 HG LEU A 74 2.995 1.873 -1.121 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.872 2.521 0.971 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.492 3.246 0.848 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.048 4.236 0.529 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.567 2.037 -1.066 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.667 3.746 -1.555 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.224 2.469 -2.663 1.00 0.96 H new ATOM 1165 N HIS A 75 4.457 7.054 -1.694 1.00 0.18 N ATOM 1166 CA HIS A 75 5.594 7.745 -2.195 1.00 0.19 C ATOM 1167 C HIS A 75 6.695 7.379 -1.264 1.00 0.19 C ATOM 1168 O HIS A 75 6.851 7.958 -0.195 1.00 0.19 O ATOM 1169 CB HIS A 75 5.363 9.260 -2.263 1.00 0.23 C ATOM 1170 CG HIS A 75 4.305 9.662 -3.250 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.581 10.002 -4.558 1.00 1.01 N ATOM 1172 CD2 HIS A 75 2.957 9.768 -3.116 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.455 10.301 -5.184 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.456 10.165 -4.333 1.00 0.94 N ATOM 0 H HIS A 75 4.121 7.363 -0.782 1.00 0.18 H new ATOM 0 HA HIS A 75 5.825 7.464 -3.222 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.082 9.621 -1.274 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.300 9.751 -2.527 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.385 9.576 -2.220 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.368 10.605 -6.217 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.471 10.328 -4.544 1.00 0.94 H new ATOM 1183 N ILE A 76 7.430 6.375 -1.664 1.00 0.21 N ATOM 1184 CA ILE A 76 8.446 5.836 -0.823 1.00 0.23 C ATOM 1185 C ILE A 76 9.790 5.958 -1.483 1.00 0.25 C ATOM 1186 O ILE A 76 10.182 5.181 -2.337 1.00 0.28 O ATOM 1187 CB ILE A 76 8.141 4.377 -0.507 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.749 4.266 0.116 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.203 3.778 0.408 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.321 2.850 0.380 1.00 0.52 C ATOM 0 H ILE A 76 7.338 5.918 -2.571 1.00 0.21 H new ATOM 0 HA ILE A 76 8.467 6.401 0.109 1.00 0.23 H new ATOM 0 HB ILE A 76 8.157 3.806 -1.435 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.734 4.822 1.053 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.024 4.739 -0.547 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.959 2.736 0.616 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.176 3.832 -0.080 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.235 4.337 1.343 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.325 2.847 0.822 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.304 2.294 -0.558 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.024 2.380 1.067 1.00 0.52 H new ATOM 1202 N THR A 77 10.479 6.947 -1.055 1.00 0.24 N ATOM 1203 CA THR A 77 11.769 7.239 -1.526 1.00 0.26 C ATOM 1204 C THR A 77 12.749 6.862 -0.468 1.00 0.36 C ATOM 1205 O THR A 77 12.562 7.120 0.725 1.00 0.58 O ATOM 1206 CB THR A 77 11.928 8.715 -1.886 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.702 9.532 -0.733 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.947 9.087 -2.973 1.00 0.37 C ATOM 0 H THR A 77 10.145 7.595 -0.342 1.00 0.24 H new ATOM 0 HA THR A 77 11.946 6.670 -2.438 1.00 0.26 H new ATOM 0 HB THR A 77 12.944 8.881 -2.245 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.808 10.476 -0.975 1.00 0.41 H new ATOM 0 HG21 THR A 77 11.066 10.141 -3.225 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.136 8.479 -3.858 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.930 8.910 -2.622 1.00 0.37 H new ATOM 1216 N ASP A 78 13.753 6.239 -0.954 1.00 0.30 N ATOM 1217 CA ASP A 78 14.807 5.642 -0.157 1.00 0.45 C ATOM 1218 C ASP A 78 14.272 4.483 0.620 1.00 0.45 C ATOM 1219 O ASP A 78 13.545 4.581 1.617 1.00 0.70 O ATOM 1220 CB ASP A 78 15.540 6.632 0.720 1.00 0.61 C ATOM 1221 CG ASP A 78 16.016 6.051 2.048 1.00 1.44 C ATOM 1222 OD1 ASP A 78 16.941 5.207 2.041 1.00 1.97 O ATOM 1223 OD2 ASP A 78 15.464 6.426 3.105 1.00 2.12 O ATOM 0 H ASP A 78 13.889 6.114 -1.957 1.00 0.30 H new ATOM 0 HA ASP A 78 15.564 5.275 -0.851 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.401 7.017 0.174 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.884 7.479 0.920 1.00 0.61 H new ATOM 1228 N ALA A 79 14.600 3.393 0.047 1.00 0.37 N ATOM 1229 CA ALA A 79 14.263 2.093 0.545 1.00 0.34 C ATOM 1230 C ALA A 79 15.414 1.557 1.373 1.00 0.38 C ATOM 1231 O ALA A 79 16.544 1.507 0.898 1.00 0.40 O ATOM 1232 CB ALA A 79 13.975 1.180 -0.629 1.00 0.34 C ATOM 0 H ALA A 79 15.135 3.366 -0.821 1.00 0.37 H new ATOM 0 HA ALA A 79 13.378 2.147 1.179 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.717 0.186 -0.262 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.142 1.581 -1.206 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.858 1.114 -1.264 1.00 0.34 H new ATOM 1238 N GLN A 80 15.130 1.189 2.611 1.00 0.47 N ATOM 1239 CA GLN A 80 16.128 0.563 3.466 1.00 0.55 C ATOM 1240 C GLN A 80 16.667 -0.684 2.780 1.00 0.43 C ATOM 1241 O GLN A 80 15.887 -1.513 2.320 1.00 0.43 O ATOM 1242 CB GLN A 80 15.505 0.199 4.819 1.00 0.74 C ATOM 1243 CG GLN A 80 16.293 -0.830 5.614 1.00 0.78 C ATOM 1244 CD GLN A 80 17.263 -0.229 6.616 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.548 -0.838 7.642 1.00 1.37 O ATOM 1246 NE2 GLN A 80 17.760 0.966 6.347 1.00 1.43 N ATOM 0 H GLN A 80 14.217 1.312 3.048 1.00 0.47 H new ATOM 0 HA GLN A 80 16.948 1.260 3.639 1.00 0.55 H new ATOM 0 HB2 GLN A 80 15.407 1.105 5.416 1.00 0.74 H new ATOM 0 HB3 GLN A 80 14.498 -0.182 4.651 1.00 0.74 H new ATOM 0 HG2 GLN A 80 15.594 -1.477 6.144 1.00 0.78 H new ATOM 0 HG3 GLN A 80 16.848 -1.462 4.921 1.00 0.78 H new ATOM 0 HE21 GLN A 80 17.501 1.444 5.484 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.403 1.411 7.003 1.00 1.43 H new ATOM 1255 N PRO A 81 18.003 -0.840 2.714 1.00 0.42 N ATOM 1256 CA PRO A 81 18.650 -1.943 1.981 1.00 0.44 C ATOM 1257 C PRO A 81 18.264 -3.312 2.514 1.00 0.54 C ATOM 1258 O PRO A 81 18.552 -4.336 1.897 1.00 1.33 O ATOM 1259 CB PRO A 81 20.151 -1.706 2.202 1.00 0.50 C ATOM 1260 CG PRO A 81 20.228 -0.808 3.388 1.00 0.57 C ATOM 1261 CD PRO A 81 18.996 0.046 3.344 1.00 0.49 C ATOM 0 HA PRO A 81 18.350 -1.944 0.933 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.677 -2.644 2.382 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.611 -1.246 1.328 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.269 -1.385 4.312 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.129 -0.195 3.355 1.00 0.57 H new ATOM 0 HD2 PRO A 81 18.685 0.357 4.341 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.154 0.954 2.762 1.00 0.49 H new ATOM 1269 N ALA A 82 17.608 -3.324 3.654 1.00 0.81 N ATOM 1270 CA ALA A 82 17.179 -4.558 4.260 1.00 0.88 C ATOM 1271 C ALA A 82 15.660 -4.671 4.276 1.00 0.77 C ATOM 1272 O ALA A 82 15.121 -5.510 4.991 1.00 0.91 O ATOM 1273 CB ALA A 82 17.735 -4.681 5.669 1.00 1.12 C ATOM 0 H ALA A 82 17.361 -2.486 4.180 1.00 0.81 H new ATOM 0 HA ALA A 82 17.568 -5.378 3.656 1.00 0.88 H new ATOM 0 HB1 ALA A 82 17.401 -5.619 6.111 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.824 -4.665 5.633 1.00 1.12 H new ATOM 0 HB3 ALA A 82 17.379 -3.847 6.275 1.00 1.12 H new ATOM 1279 N PHE A 83 14.964 -3.838 3.488 1.00 0.64 N ATOM 1280 CA PHE A 83 13.517 -3.915 3.415 1.00 0.68 C ATOM 1281 C PHE A 83 13.143 -5.148 2.619 1.00 0.76 C ATOM 1282 O PHE A 83 12.512 -6.071 3.135 1.00 1.24 O ATOM 1283 CB PHE A 83 12.955 -2.666 2.704 1.00 0.74 C ATOM 1284 CG PHE A 83 12.587 -1.485 3.580 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.494 -1.642 4.963 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.346 -0.228 3.045 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.166 -0.575 5.777 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.017 0.840 3.858 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.893 0.705 5.157 1.00 0.88 C ATOM 0 H PHE A 83 15.383 -3.115 2.903 1.00 0.64 H new ATOM 0 HA PHE A 83 13.102 -3.967 4.421 1.00 0.68 H new ATOM 0 HB2 PHE A 83 13.692 -2.330 1.975 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.067 -2.964 2.146 1.00 0.74 H new ATOM 0 HD1 PHE A 83 12.681 -2.610 5.403 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.417 -0.082 1.977 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.114 -0.693 6.849 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.858 1.811 3.412 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.588 1.546 5.762 1.00 0.88 H new ATOM 1299 N THR A 84 13.649 -5.190 1.387 1.00 0.55 N ATOM 1300 CA THR A 84 13.071 -6.011 0.352 1.00 0.58 C ATOM 1301 C THR A 84 11.567 -5.852 0.460 1.00 0.80 C ATOM 1302 O THR A 84 10.822 -6.791 0.739 1.00 1.22 O ATOM 1303 CB THR A 84 13.496 -7.474 0.450 1.00 0.97 C ATOM 1304 OG1 THR A 84 14.927 -7.555 0.535 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.015 -8.252 -0.767 1.00 1.17 C ATOM 0 H THR A 84 14.466 -4.656 1.091 1.00 0.55 H new ATOM 0 HA THR A 84 13.429 -5.686 -0.625 1.00 0.58 H new ATOM 0 HB THR A 84 13.049 -7.908 1.344 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.198 -8.495 0.600 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.327 -9.293 -0.680 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.928 -8.203 -0.824 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.446 -7.818 -1.670 1.00 1.17 H new ATOM 1313 N GLY A 85 11.181 -4.598 0.251 1.00 0.87 N ATOM 1314 CA GLY A 85 9.885 -4.083 0.613 1.00 1.43 C ATOM 1315 C GLY A 85 8.746 -4.829 0.018 1.00 0.96 C ATOM 1316 O GLY A 85 8.210 -4.478 -1.023 1.00 1.29 O ATOM 0 H GLY A 85 11.784 -3.901 -0.187 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.789 -4.101 1.699 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.822 -3.039 0.305 1.00 1.43 H new ATOM 1320 N GLY A 86 8.382 -5.843 0.707 1.00 0.52 N ATOM 1321 CA GLY A 86 7.231 -6.600 0.362 1.00 0.52 C ATOM 1322 C GLY A 86 6.052 -6.033 1.071 1.00 0.40 C ATOM 1323 O GLY A 86 5.685 -6.452 2.164 1.00 0.43 O ATOM 0 H GLY A 86 8.876 -6.178 1.534 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.071 -6.574 -0.716 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.370 -7.645 0.638 1.00 0.52 H new ATOM 1327 N TYR A 87 5.514 -5.019 0.471 1.00 0.34 N ATOM 1328 CA TYR A 87 4.413 -4.303 1.046 1.00 0.28 C ATOM 1329 C TYR A 87 3.145 -5.102 0.827 1.00 0.30 C ATOM 1330 O TYR A 87 2.688 -5.264 -0.307 1.00 0.39 O ATOM 1331 CB TYR A 87 4.288 -2.920 0.421 1.00 0.35 C ATOM 1332 CG TYR A 87 5.454 -1.999 0.704 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.715 -2.290 0.211 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.299 -0.845 1.465 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.788 -1.463 0.470 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.368 -0.011 1.729 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.584 -0.288 1.214 1.00 0.54 C ATOM 1338 OH TYR A 87 8.678 0.507 1.486 1.00 0.63 O ATOM 0 H TYR A 87 5.824 -4.661 -0.433 1.00 0.34 H new ATOM 0 HA TYR A 87 4.582 -4.170 2.115 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.182 -3.031 -0.658 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.374 -2.451 0.785 1.00 0.35 H new ATOM 0 HD1 TYR A 87 6.860 -3.178 -0.386 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.324 -0.596 1.857 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.773 -1.715 0.106 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.230 0.863 2.348 1.00 0.54 H new ATOM 0 HH TYR A 87 9.335 0.418 0.764 1.00 0.63 H new ATOM 1348 N ARG A 88 2.596 -5.633 1.903 1.00 0.33 N ATOM 1349 CA ARG A 88 1.392 -6.420 1.818 1.00 0.36 C ATOM 1350 C ARG A 88 0.221 -5.547 2.215 1.00 0.36 C ATOM 1351 O ARG A 88 0.091 -5.164 3.375 1.00 0.60 O ATOM 1352 CB ARG A 88 1.479 -7.656 2.730 1.00 0.42 C ATOM 1353 CG ARG A 88 0.140 -8.346 2.969 1.00 1.09 C ATOM 1354 CD ARG A 88 0.287 -9.622 3.794 1.00 1.23 C ATOM 1355 NE ARG A 88 1.104 -9.429 4.996 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.705 -9.738 6.237 1.00 2.17 C ATOM 1357 NH1 ARG A 88 -0.549 -10.097 6.481 1.00 2.11 N ATOM 1358 NH2 ARG A 88 1.558 -9.641 7.247 1.00 3.15 N ATOM 0 H ARG A 88 2.970 -5.530 2.846 1.00 0.33 H new ATOM 0 HA ARG A 88 1.260 -6.777 0.797 1.00 0.36 H new ATOM 0 HB2 ARG A 88 2.172 -8.373 2.288 1.00 0.42 H new ATOM 0 HB3 ARG A 88 1.899 -7.357 3.691 1.00 0.42 H new ATOM 0 HG2 ARG A 88 -0.534 -7.660 3.482 1.00 1.09 H new ATOM 0 HG3 ARG A 88 -0.319 -8.586 2.010 1.00 1.09 H new ATOM 0 HD2 ARG A 88 -0.702 -9.977 4.085 1.00 1.23 H new ATOM 0 HD3 ARG A 88 0.736 -10.400 3.176 1.00 1.23 H new ATOM 0 HE ARG A 88 2.037 -9.034 4.880 1.00 1.73 H new ATOM 0 HH11 ARG A 88 -1.225 -10.141 5.718 1.00 2.11 H new ATOM 0 HH12 ARG A 88 -0.837 -10.329 7.431 1.00 2.11 H new ATOM 0 HH21 ARG A 88 2.515 -9.332 7.078 1.00 3.15 H new ATOM 0 HH22 ARG A 88 1.257 -9.876 8.193 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.603 -5.195 1.256 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.747 -4.362 1.553 1.00 0.27 C ATOM 1374 C CYS A 89 -2.970 -5.234 1.712 1.00 0.25 C ATOM 1375 O CYS A 89 -3.249 -6.084 0.870 1.00 0.31 O ATOM 1376 CB CYS A 89 -1.982 -3.334 0.463 1.00 0.39 C ATOM 1377 SG CYS A 89 -2.945 -1.913 1.005 1.00 1.08 S ATOM 0 H CYS A 89 -0.507 -5.467 0.278 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.551 -3.824 2.480 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.019 -2.988 0.089 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.495 -3.813 -0.371 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.201 -0.847 0.974 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.677 -5.034 2.796 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.837 -5.840 3.105 1.00 0.28 C ATOM 1385 C GLU A 90 -5.998 -4.938 3.494 1.00 0.26 C ATOM 1386 O GLU A 90 -5.900 -4.177 4.462 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.517 -6.779 4.265 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.336 -7.707 4.017 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.976 -8.539 5.233 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -2.776 -7.952 6.320 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -2.921 -9.783 5.118 1.00 1.43 O ATOM 0 H GLU A 90 -3.469 -4.313 3.487 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.109 -6.426 2.227 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.314 -6.182 5.154 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.398 -7.383 4.481 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.570 -8.371 3.185 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.471 -7.115 3.719 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.083 -4.996 2.743 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.263 -4.227 3.089 1.00 0.22 C ATOM 1400 C VAL A 91 -9.351 -5.129 3.641 1.00 0.22 C ATOM 1401 O VAL A 91 -9.610 -6.223 3.129 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.804 -3.384 1.908 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.944 -4.215 0.646 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.134 -2.733 2.267 1.00 0.51 C ATOM 0 H VAL A 91 -7.171 -5.561 1.899 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.956 -3.523 3.862 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.075 -2.598 1.711 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.326 -3.590 -0.161 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.970 -4.616 0.364 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.636 -5.037 0.827 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.492 -2.147 1.421 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.864 -3.506 2.508 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.999 -2.080 3.129 1.00 0.51 H new ATOM 1414 N SER A 92 -9.975 -4.645 4.691 1.00 0.22 N ATOM 1415 CA SER A 92 -11.018 -5.365 5.376 1.00 0.25 C ATOM 1416 C SER A 92 -12.209 -4.440 5.537 1.00 0.26 C ATOM 1417 O SER A 92 -12.164 -3.455 6.278 1.00 0.30 O ATOM 1418 CB SER A 92 -10.518 -5.863 6.738 1.00 0.32 C ATOM 1419 OG SER A 92 -11.514 -6.607 7.426 1.00 1.18 O ATOM 0 H SER A 92 -9.769 -3.732 5.095 1.00 0.22 H new ATOM 0 HA SER A 92 -11.313 -6.241 4.798 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.634 -6.484 6.596 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.215 -5.012 7.347 1.00 0.32 H new ATOM 0 HG SER A 92 -11.159 -6.909 8.288 1.00 1.18 H new ATOM 1425 N THR A 93 -13.251 -4.733 4.798 1.00 0.28 N ATOM 1426 CA THR A 93 -14.437 -3.904 4.789 1.00 0.35 C ATOM 1427 C THR A 93 -15.661 -4.751 5.064 1.00 0.39 C ATOM 1428 O THR A 93 -15.533 -5.965 5.163 1.00 0.59 O ATOM 1429 CB THR A 93 -14.576 -3.221 3.435 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.275 -2.923 2.937 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.376 -1.938 3.539 1.00 0.57 C ATOM 0 H THR A 93 -13.304 -5.548 4.188 1.00 0.28 H new ATOM 0 HA THR A 93 -14.348 -3.145 5.567 1.00 0.35 H new ATOM 0 HB THR A 93 -15.105 -3.895 2.760 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.712 -2.594 3.669 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.455 -1.478 2.554 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.374 -2.161 3.916 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.875 -1.251 4.221 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.819 -4.076 5.186 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.153 -4.685 5.374 1.00 0.43 C ATOM 1441 C LYS A 94 -18.176 -6.213 5.344 1.00 0.42 C ATOM 1442 O LYS A 94 -18.568 -6.871 6.303 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.130 -4.130 4.317 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.516 -3.771 2.948 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.115 -4.975 2.110 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.290 -5.689 1.449 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.378 -6.071 2.385 1.00 0.65 N ATOM 0 H LYS A 94 -16.855 -3.057 5.156 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.461 -4.409 6.382 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.917 -4.867 4.157 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.606 -3.238 4.724 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.234 -3.174 2.386 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.638 -3.146 3.109 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.418 -4.651 1.337 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.582 -5.684 2.743 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.703 -5.043 0.674 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -18.922 -6.587 0.953 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -20.904 -6.878 1.994 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -19.969 -6.336 3.303 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -21.024 -5.266 2.514 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.759 -6.740 4.222 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.780 -8.154 3.944 1.00 0.40 C ATOM 1463 C ASP A 95 -16.882 -8.454 2.755 1.00 0.37 C ATOM 1464 O ASP A 95 -16.819 -9.581 2.284 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.205 -8.558 3.635 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.461 -10.044 3.752 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.341 -10.592 4.862 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.814 -10.663 2.729 1.00 1.05 O ATOM 0 H ASP A 95 -17.385 -6.182 3.454 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.415 -8.714 4.805 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.877 -8.029 4.311 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.452 -8.235 2.624 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.177 -7.434 2.266 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.294 -7.629 1.153 1.00 0.29 C ATOM 1475 C LYS A 96 -13.894 -7.711 1.651 1.00 0.27 C ATOM 1476 O LYS A 96 -13.495 -7.010 2.588 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.316 -6.562 0.045 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.628 -7.175 -1.283 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.730 -6.608 -2.346 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.559 -7.566 -3.502 1.00 1.00 C ATOM 1481 NZ LYS A 96 -13.632 -7.009 -4.501 1.00 1.29 N ATOM 0 H LYS A 96 -16.210 -6.481 2.629 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.662 -8.545 0.691 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.060 -5.801 0.282 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.350 -6.060 -0.000 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -15.502 -8.256 -1.230 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.670 -6.988 -1.541 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.145 -5.668 -2.710 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.755 -6.380 -1.915 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.180 -8.521 -3.138 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.526 -7.763 -3.965 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -13.811 -7.451 -5.425 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -13.777 -5.982 -4.574 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -12.652 -7.201 -4.210 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.177 -8.560 1.006 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.796 -8.794 1.318 1.00 0.29 C ATOM 1497 C PHE A 97 -10.950 -8.761 0.067 1.00 0.32 C ATOM 1498 O PHE A 97 -11.319 -9.317 -0.967 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.663 -10.128 2.014 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.348 -10.315 2.719 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.134 -9.759 3.968 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.327 -11.040 2.130 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.926 -9.922 4.619 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.116 -11.209 2.776 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.915 -10.649 4.022 1.00 0.74 C ATOM 0 H PHE A 97 -13.530 -9.125 0.233 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.440 -8.004 1.980 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.471 -10.232 2.738 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.788 -10.924 1.280 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.921 -9.190 4.440 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.478 -11.479 1.155 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.773 -9.482 5.593 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.328 -11.779 2.306 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.970 -10.779 4.528 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.825 -8.103 0.180 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.861 -8.005 -0.909 1.00 0.43 C ATOM 1517 C ASP A 98 -7.478 -7.744 -0.338 1.00 0.36 C ATOM 1518 O ASP A 98 -7.347 -7.149 0.734 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.226 -6.887 -1.898 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.163 -7.323 -3.021 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.764 -8.195 -3.827 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.279 -6.754 -3.143 1.00 1.60 O ATOM 0 H ASP A 98 -9.542 -7.615 1.030 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.874 -8.949 -1.453 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.693 -6.070 -1.348 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.310 -6.493 -2.338 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.452 -8.183 -1.048 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.079 -8.019 -0.587 1.00 0.30 C ATOM 1529 C CYS A 99 -4.113 -7.953 -1.761 1.00 0.32 C ATOM 1530 O CYS A 99 -4.386 -8.494 -2.839 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.691 -9.155 0.364 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.019 -10.811 -0.285 1.00 1.19 S ATOM 0 H CYS A 99 -6.542 -8.656 -1.947 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.016 -7.076 -0.044 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.629 -9.072 0.597 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.234 -9.030 1.301 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.655 -11.700 0.591 1.00 1.19 H new ATOM 1538 N SER A 100 -2.993 -7.274 -1.557 1.00 0.27 N ATOM 1539 CA SER A 100 -2.015 -7.083 -2.624 1.00 0.30 C ATOM 1540 C SER A 100 -0.601 -7.450 -2.175 1.00 0.31 C ATOM 1541 O SER A 100 -0.236 -7.279 -1.011 1.00 0.42 O ATOM 1542 CB SER A 100 -2.053 -5.639 -3.131 1.00 0.38 C ATOM 1543 OG SER A 100 -1.675 -4.725 -2.123 1.00 0.84 O ATOM 0 H SER A 100 -2.738 -6.847 -0.667 1.00 0.27 H new ATOM 0 HA SER A 100 -2.286 -7.755 -3.438 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.385 -5.535 -3.986 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.058 -5.402 -3.480 1.00 0.38 H new ATOM 0 HG SER A 100 -1.947 -3.820 -2.383 1.00 0.84 H new ATOM 1549 N ASN A 101 0.181 -7.957 -3.117 1.00 0.34 N ATOM 1550 CA ASN A 101 1.544 -8.394 -2.853 1.00 0.37 C ATOM 1551 C ASN A 101 2.525 -7.726 -3.815 1.00 0.42 C ATOM 1552 O ASN A 101 2.471 -7.951 -5.024 1.00 0.65 O ATOM 1553 CB ASN A 101 1.633 -9.921 -2.996 1.00 0.60 C ATOM 1554 CG ASN A 101 0.937 -10.431 -4.248 1.00 0.97 C ATOM 1555 OD1 ASN A 101 -0.247 -10.769 -4.220 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.657 -10.489 -5.352 1.00 1.05 N ATOM 0 H ASN A 101 -0.112 -8.077 -4.087 1.00 0.34 H new ATOM 0 HA ASN A 101 1.810 -8.106 -1.836 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.681 -10.220 -3.020 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.187 -10.391 -2.119 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.235 -10.822 -6.219 1.00 1.05 H new ATOM 0 HD22 ASN A 101 2.635 -10.201 -5.339 1.00 1.05 H new ATOM 1563 N PHE A 102 3.398 -6.872 -3.301 1.00 0.31 N ATOM 1564 CA PHE A 102 4.416 -6.257 -4.141 1.00 0.38 C ATOM 1565 C PHE A 102 5.723 -6.084 -3.381 1.00 0.30 C ATOM 1566 O PHE A 102 5.745 -5.575 -2.261 1.00 0.37 O ATOM 1567 CB PHE A 102 3.919 -4.941 -4.738 1.00 0.57 C ATOM 1568 CG PHE A 102 3.154 -4.067 -3.798 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.825 -4.326 -3.516 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.762 -2.983 -3.206 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.121 -3.518 -2.656 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.061 -2.170 -2.347 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.740 -2.438 -2.071 1.00 0.86 C ATOM 0 H PHE A 102 3.423 -6.592 -2.321 1.00 0.31 H new ATOM 0 HA PHE A 102 4.617 -6.929 -4.975 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.777 -4.383 -5.112 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.286 -5.166 -5.597 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.336 -5.172 -3.976 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.799 -2.769 -3.418 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.084 -3.730 -2.440 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.547 -1.321 -1.889 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.189 -1.801 -1.395 1.00 0.86 H new ATOM 1583 N ASN A 103 6.805 -6.534 -3.997 1.00 0.24 N ATOM 1584 CA ASN A 103 8.098 -6.580 -3.356 1.00 0.25 C ATOM 1585 C ASN A 103 9.099 -5.610 -3.962 1.00 0.28 C ATOM 1586 O ASN A 103 9.382 -5.623 -5.159 1.00 0.49 O ATOM 1587 CB ASN A 103 8.670 -7.988 -3.412 1.00 0.33 C ATOM 1588 CG ASN A 103 7.989 -8.883 -4.413 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.011 -9.563 -4.097 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.504 -8.909 -5.616 1.00 1.25 N ATOM 0 H ASN A 103 6.805 -6.877 -4.958 1.00 0.24 H new ATOM 0 HA ASN A 103 7.934 -6.279 -2.321 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.731 -7.929 -3.654 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.593 -8.440 -2.423 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.095 -9.508 -6.333 1.00 1.25 H new ATOM 0 HD22 ASN A 103 9.314 -8.330 -5.836 1.00 1.25 H new ATOM 1597 N LEU A 104 9.668 -4.822 -3.087 1.00 0.23 N ATOM 1598 CA LEU A 104 10.662 -3.827 -3.444 1.00 0.24 C ATOM 1599 C LEU A 104 12.057 -4.379 -3.203 1.00 0.25 C ATOM 1600 O LEU A 104 12.499 -4.535 -2.073 1.00 0.37 O ATOM 1601 CB LEU A 104 10.453 -2.524 -2.649 1.00 0.27 C ATOM 1602 CG LEU A 104 11.710 -1.739 -2.342 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.695 -0.431 -3.099 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.884 -1.507 -0.841 1.00 0.30 C ATOM 0 H LEU A 104 9.455 -4.849 -2.090 1.00 0.23 H new ATOM 0 HA LEU A 104 10.550 -3.593 -4.503 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.773 -1.882 -3.209 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.959 -2.768 -1.708 1.00 0.27 H new ATOM 0 HG LEU A 104 12.567 -2.327 -2.670 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.602 0.130 -2.874 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.648 -0.631 -4.170 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.824 0.152 -2.800 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.798 -0.940 -0.664 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.030 -0.948 -0.458 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.948 -2.467 -0.329 1.00 0.30 H new ATOM 1616 N THR A 105 12.745 -4.679 -4.269 1.00 0.23 N ATOM 1617 CA THR A 105 14.064 -5.240 -4.165 1.00 0.24 C ATOM 1618 C THR A 105 15.080 -4.109 -4.109 1.00 0.21 C ATOM 1619 O THR A 105 15.462 -3.539 -5.130 1.00 0.22 O ATOM 1620 CB THR A 105 14.362 -6.193 -5.334 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.189 -6.964 -5.629 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.502 -7.129 -4.972 1.00 0.32 C ATOM 0 H THR A 105 12.413 -4.544 -5.224 1.00 0.23 H new ATOM 0 HA THR A 105 14.128 -5.830 -3.251 1.00 0.24 H new ATOM 0 HB THR A 105 14.649 -5.606 -6.206 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.376 -7.571 -6.375 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.703 -7.798 -5.808 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.396 -6.545 -4.752 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.227 -7.716 -4.096 1.00 0.32 H new ATOM 1630 N VAL A 106 15.472 -3.780 -2.892 1.00 0.23 N ATOM 1631 CA VAL A 106 16.332 -2.666 -2.620 1.00 0.23 C ATOM 1632 C VAL A 106 17.779 -3.084 -2.732 1.00 0.25 C ATOM 1633 O VAL A 106 18.276 -3.952 -2.016 1.00 0.28 O ATOM 1634 CB VAL A 106 16.066 -2.057 -1.228 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.214 -3.105 -0.145 1.00 0.31 C ATOM 1636 CG2 VAL A 106 16.957 -0.846 -1.001 1.00 0.33 C ATOM 0 H VAL A 106 15.191 -4.295 -2.057 1.00 0.23 H new ATOM 0 HA VAL A 106 16.116 -1.899 -3.363 1.00 0.23 H new ATOM 0 HB VAL A 106 15.035 -1.707 -1.182 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.022 -2.653 0.828 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.500 -3.910 -0.318 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.227 -3.508 -0.164 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.758 -0.427 -0.015 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.003 -1.147 -1.063 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.750 -0.094 -1.763 1.00 0.33 H new ATOM 1646 N HIS A 107 18.425 -2.475 -3.670 1.00 0.26 N ATOM 1647 CA HIS A 107 19.822 -2.766 -3.949 1.00 0.31 C ATOM 1648 C HIS A 107 20.725 -1.613 -3.591 1.00 0.34 C ATOM 1649 O HIS A 107 20.957 -0.736 -4.394 1.00 0.36 O ATOM 1650 CB HIS A 107 20.020 -3.060 -5.428 1.00 0.36 C ATOM 1651 CG HIS A 107 19.247 -4.231 -5.918 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.469 -5.512 -5.485 1.00 1.19 N ATOM 1653 CD2 HIS A 107 18.243 -4.305 -6.809 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.631 -6.328 -6.087 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.874 -5.623 -6.904 1.00 0.53 N ATOM 0 H HIS A 107 18.015 -1.761 -4.272 1.00 0.26 H new ATOM 0 HA HIS A 107 20.082 -3.632 -3.340 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.733 -2.181 -6.005 1.00 0.36 H new ATOM 0 HB3 HIS A 107 21.080 -3.232 -5.615 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.807 -3.479 -7.351 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.573 -7.396 -5.937 1.00 1.10 H new ATOM 0 HE2 HIS A 107 17.138 -5.994 -7.505 1.00 0.53 H new ATOM 1664 N GLU A 108 21.252 -1.651 -2.403 1.00 0.45 N ATOM 1665 CA GLU A 108 22.382 -0.817 -2.021 1.00 0.56 C ATOM 1666 C GLU A 108 23.589 -1.152 -2.886 1.00 0.71 C ATOM 1667 O GLU A 108 24.184 -2.220 -2.737 1.00 1.33 O ATOM 1668 CB GLU A 108 22.745 -1.044 -0.555 1.00 0.71 C ATOM 1669 CG GLU A 108 23.732 -0.024 -0.016 1.00 0.87 C ATOM 1670 CD GLU A 108 24.149 -0.324 1.405 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.380 -0.002 2.332 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.250 -0.880 1.602 1.00 1.67 O ATOM 0 H GLU A 108 20.917 -2.261 -1.658 1.00 0.45 H new ATOM 0 HA GLU A 108 22.100 0.226 -2.164 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.836 -1.013 0.046 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.167 -2.043 -0.443 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.615 -0.004 -0.655 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.285 0.969 -0.059 1.00 0.87 H new ATOM 1679 N ALA A 109 23.927 -0.265 -3.801 1.00 1.29 N ATOM 1680 CA ALA A 109 25.115 -0.444 -4.608 1.00 1.54 C ATOM 1681 C ALA A 109 26.309 0.170 -3.892 1.00 2.12 C ATOM 1682 O ALA A 109 27.091 -0.536 -3.252 1.00 2.78 O ATOM 1683 CB ALA A 109 24.923 0.170 -5.989 1.00 2.44 C ATOM 0 H ALA A 109 23.398 0.583 -4.003 1.00 1.29 H new ATOM 0 HA ALA A 109 25.301 -1.509 -4.747 1.00 1.54 H new ATOM 0 HB1 ALA A 109 25.827 0.025 -6.581 1.00 2.44 H new ATOM 0 HB2 ALA A 109 24.082 -0.312 -6.488 1.00 2.44 H new ATOM 0 HB3 ALA A 109 24.722 1.237 -5.888 1.00 2.44 H new ATOM 1689 N MET A 110 26.407 1.488 -3.969 1.00 2.77 N ATOM 1690 CA MET A 110 27.474 2.237 -3.326 1.00 3.92 C ATOM 1691 C MET A 110 27.331 3.708 -3.676 1.00 4.80 C ATOM 1692 O MET A 110 27.797 4.104 -4.763 1.00 5.41 O ATOM 1693 CB MET A 110 28.850 1.730 -3.768 1.00 4.52 C ATOM 1694 CG MET A 110 30.006 2.448 -3.099 1.00 5.33 C ATOM 1695 SD MET A 110 31.604 1.879 -3.705 1.00 6.12 S ATOM 1696 CE MET A 110 32.700 2.998 -2.842 1.00 6.92 C ATOM 1697 OXT MET A 110 26.719 4.452 -2.886 1.00 5.23 O ATOM 0 H MET A 110 25.745 2.070 -4.482 1.00 2.77 H new ATOM 0 HA MET A 110 27.395 2.100 -2.248 1.00 3.92 H new ATOM 0 HB2 MET A 110 28.922 0.664 -3.552 1.00 4.52 H new ATOM 0 HB3 MET A 110 28.940 1.843 -4.848 1.00 4.52 H new ATOM 0 HG2 MET A 110 29.915 3.520 -3.272 1.00 5.33 H new ATOM 0 HG3 MET A 110 29.952 2.294 -2.021 1.00 5.33 H new ATOM 0 HE1 MET A 110 33.733 2.775 -3.111 1.00 6.92 H new ATOM 0 HE2 MET A 110 32.466 4.025 -3.122 1.00 6.92 H new ATOM 0 HE3 MET A 110 32.571 2.877 -1.767 1.00 6.92 H new TER 1707 MET A 110