USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ 179:sc= -1.44 (180deg=-1.46) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.41 K(o=-1.9,f=-2.5) USER MOD Single : A 1 ASP N :NH3+ -173:sc= 1.08 (180deg=0.824) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.479 X(o=0.48,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0412 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 43:sc= 0.259 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0877) USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 1.31 (180deg=-0.376) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 58 GLN : amide:sc= -5.82! C(o=-5.8!,f=-6.3!) USER MOD Single : A 60 HIS : no HD1:sc= -0.0694 X(o=-0.069,f=-0.00028) USER MOD Single : A 62 SER OG : rot 76:sc= 1.2 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 64:sc= 0.404 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.757 K(o=0.76,f=-2.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.45! K(o=-2.4!,f=-0.95) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 30:sc= -0.441 USER MOD Single : A 89 CYS SG : rot 100:sc= 1.97 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -36:sc= -1.14 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= -3.07! (180deg=-3.33!) USER MOD Single : A 96 LYS NZ :NH3+ -164:sc= 0.252 (180deg=0.16) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -154:sc= -2.17 USER MOD Single : A 101 ASN : amide:sc= -3.83! K(o=-3.8!,f=-0.12) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : A 110 MET CE :methyl 159:sc= -0.121 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -19.472 -11.666 0.292 1.00 0.92 N ATOM 2 CA ASP A 1 -18.658 -10.774 -0.559 1.00 0.81 C ATOM 3 C ASP A 1 -19.516 -10.319 -1.736 1.00 0.80 C ATOM 4 O ASP A 1 -20.107 -11.131 -2.441 1.00 0.99 O ATOM 5 CB ASP A 1 -17.385 -11.507 -1.020 1.00 0.90 C ATOM 6 CG ASP A 1 -17.615 -12.505 -2.133 1.00 1.34 C ATOM 7 OD1 ASP A 1 -17.999 -13.651 -1.826 1.00 1.68 O ATOM 8 OD2 ASP A 1 -17.434 -12.141 -3.312 1.00 1.93 O ATOM 0 H1 ASP A 1 -18.946 -11.892 1.160 1.00 0.92 H new ATOM 0 H2 ASP A 1 -20.363 -11.191 0.541 1.00 0.92 H new ATOM 0 H3 ASP A 1 -19.681 -12.544 -0.225 1.00 0.92 H new ATOM 0 HA ASP A 1 -18.336 -9.894 -0.002 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -16.655 -10.770 -1.353 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.948 -12.025 -0.166 1.00 0.90 H new ATOM 13 N ASP A 2 -19.641 -9.010 -1.888 1.00 0.70 N ATOM 14 CA ASP A 2 -20.533 -8.415 -2.852 1.00 0.72 C ATOM 15 C ASP A 2 -19.768 -7.753 -3.991 1.00 0.70 C ATOM 16 O ASP A 2 -18.545 -7.606 -3.916 1.00 0.75 O ATOM 17 CB ASP A 2 -21.310 -7.364 -2.105 1.00 0.79 C ATOM 18 CG ASP A 2 -22.324 -7.941 -1.150 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.462 -8.190 -1.597 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.989 -8.158 0.027 1.00 1.65 O ATOM 0 H ASP A 2 -19.118 -8.330 -1.337 1.00 0.70 H new ATOM 0 HA ASP A 2 -21.174 -9.178 -3.294 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.615 -6.734 -1.550 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.821 -6.721 -2.822 1.00 0.79 H new ATOM 25 N PRO A 3 -20.473 -7.315 -5.052 1.00 0.71 N ATOM 26 CA PRO A 3 -19.863 -6.552 -6.144 1.00 0.72 C ATOM 27 C PRO A 3 -19.467 -5.140 -5.721 1.00 0.66 C ATOM 28 O PRO A 3 -20.078 -4.145 -6.123 1.00 0.97 O ATOM 29 CB PRO A 3 -20.946 -6.508 -7.220 1.00 0.84 C ATOM 30 CG PRO A 3 -22.226 -6.676 -6.476 1.00 0.94 C ATOM 31 CD PRO A 3 -21.913 -7.552 -5.294 1.00 0.81 C ATOM 0 HA PRO A 3 -18.937 -7.015 -6.484 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -20.925 -5.564 -7.764 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.807 -7.302 -7.954 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.618 -5.712 -6.153 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.987 -7.133 -7.109 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.514 -7.283 -4.426 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.115 -8.601 -5.509 1.00 0.81 H new ATOM 39 N ILE A 4 -18.461 -5.079 -4.870 1.00 0.45 N ATOM 40 CA ILE A 4 -17.834 -3.826 -4.491 1.00 0.41 C ATOM 41 C ILE A 4 -16.730 -3.519 -5.475 1.00 0.41 C ATOM 42 O ILE A 4 -16.783 -2.543 -6.219 1.00 0.50 O ATOM 43 CB ILE A 4 -17.241 -3.898 -3.058 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.324 -3.646 -2.011 1.00 0.42 C ATOM 45 CG2 ILE A 4 -16.086 -2.911 -2.861 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.316 -4.764 -1.892 1.00 0.46 C ATOM 0 H ILE A 4 -18.054 -5.899 -4.420 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.590 -3.041 -4.503 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.844 -4.905 -2.930 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.851 -3.487 -1.042 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.853 -2.727 -2.262 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.703 -2.997 -1.844 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.289 -3.138 -3.569 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.443 -1.895 -3.029 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -20.055 -4.515 -1.130 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.817 -4.909 -2.849 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.799 -5.681 -1.610 1.00 0.46 H new ATOM 58 N GLY A 5 -15.735 -4.389 -5.482 1.00 0.36 N ATOM 59 CA GLY A 5 -14.588 -4.177 -6.327 1.00 0.39 C ATOM 60 C GLY A 5 -13.559 -3.427 -5.552 1.00 0.33 C ATOM 61 O GLY A 5 -12.936 -2.488 -6.038 1.00 0.33 O ATOM 0 H GLY A 5 -15.703 -5.237 -4.917 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.185 -5.132 -6.665 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.873 -3.618 -7.218 1.00 0.39 H new ATOM 65 N LEU A 6 -13.418 -3.877 -4.318 1.00 0.32 N ATOM 66 CA LEU A 6 -12.622 -3.224 -3.308 1.00 0.29 C ATOM 67 C LEU A 6 -11.225 -2.972 -3.821 1.00 0.29 C ATOM 68 O LEU A 6 -10.643 -1.913 -3.596 1.00 0.33 O ATOM 69 CB LEU A 6 -12.592 -4.126 -2.086 1.00 0.29 C ATOM 70 CG LEU A 6 -12.421 -3.423 -0.757 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.496 -2.367 -0.563 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.459 -4.443 0.353 1.00 0.28 C ATOM 0 H LEU A 6 -13.868 -4.730 -3.987 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.054 -2.257 -3.049 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.519 -4.699 -2.057 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.779 -4.842 -2.205 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.457 -2.915 -0.740 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.353 -1.875 0.399 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.429 -1.629 -1.362 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.478 -2.839 -0.587 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.336 -3.941 1.313 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.416 -4.964 0.336 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.652 -5.162 0.214 1.00 0.28 H new ATOM 84 N PHE A 7 -10.714 -3.939 -4.546 1.00 0.30 N ATOM 85 CA PHE A 7 -9.420 -3.810 -5.143 1.00 0.32 C ATOM 86 C PHE A 7 -9.552 -3.225 -6.532 1.00 0.29 C ATOM 87 O PHE A 7 -9.597 -3.941 -7.533 1.00 0.32 O ATOM 88 CB PHE A 7 -8.722 -5.158 -5.176 1.00 0.41 C ATOM 89 CG PHE A 7 -7.484 -5.193 -4.332 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.342 -4.339 -3.246 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.464 -6.080 -4.618 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.204 -4.370 -2.467 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.327 -6.115 -3.845 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.197 -5.259 -2.767 1.00 0.61 C ATOM 0 H PHE A 7 -11.183 -4.825 -4.733 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.811 -3.133 -4.544 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.413 -5.928 -4.832 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.461 -5.401 -6.206 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.132 -3.642 -3.009 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.561 -6.753 -5.457 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.104 -3.700 -1.626 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.536 -6.811 -4.080 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.304 -5.288 -2.160 1.00 0.61 H new ATOM 104 N VAL A 8 -9.637 -1.910 -6.567 1.00 0.28 N ATOM 105 CA VAL A 8 -9.697 -1.175 -7.815 1.00 0.34 C ATOM 106 C VAL A 8 -8.334 -1.235 -8.486 1.00 0.44 C ATOM 107 O VAL A 8 -8.220 -1.458 -9.690 1.00 0.63 O ATOM 108 CB VAL A 8 -10.096 0.296 -7.577 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.356 1.008 -8.898 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.311 0.380 -6.665 1.00 0.33 C ATOM 0 H VAL A 8 -9.666 -1.322 -5.734 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.454 -1.629 -8.455 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.265 0.800 -7.083 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -10.636 2.044 -8.704 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.453 0.984 -9.508 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.166 0.507 -9.428 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.577 1.425 -6.509 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.149 -0.143 -7.126 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.079 -0.082 -5.706 1.00 0.33 H new ATOM 120 N MET A 9 -7.303 -1.056 -7.679 1.00 0.43 N ATOM 121 CA MET A 9 -5.932 -1.182 -8.135 1.00 0.65 C ATOM 122 C MET A 9 -5.049 -1.598 -6.978 1.00 0.44 C ATOM 123 O MET A 9 -5.168 -1.069 -5.874 1.00 0.44 O ATOM 124 CB MET A 9 -5.417 0.132 -8.713 1.00 1.05 C ATOM 125 CG MET A 9 -4.007 0.048 -9.279 1.00 1.45 C ATOM 126 SD MET A 9 -3.357 1.661 -9.761 1.00 2.35 S ATOM 127 CE MET A 9 -1.701 1.213 -10.274 1.00 2.88 C ATOM 0 H MET A 9 -7.393 -0.820 -6.691 1.00 0.43 H new ATOM 0 HA MET A 9 -5.905 -1.938 -8.920 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.095 0.461 -9.501 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.440 0.894 -7.934 1.00 1.05 H new ATOM 0 HG2 MET A 9 -3.347 -0.398 -8.535 1.00 1.45 H new ATOM 0 HG3 MET A 9 -4.006 -0.614 -10.145 1.00 1.45 H new ATOM 0 HE1 MET A 9 -1.168 2.105 -10.602 1.00 2.88 H new ATOM 0 HE2 MET A 9 -1.170 0.760 -9.436 1.00 2.88 H new ATOM 0 HE3 MET A 9 -1.755 0.500 -11.097 1.00 2.88 H new ATOM 137 N ARG A 10 -4.179 -2.543 -7.238 1.00 0.47 N ATOM 138 CA ARG A 10 -3.223 -3.000 -6.261 1.00 0.41 C ATOM 139 C ARG A 10 -1.831 -2.635 -6.726 1.00 0.39 C ATOM 140 O ARG A 10 -1.510 -2.794 -7.904 1.00 0.45 O ATOM 141 CB ARG A 10 -3.323 -4.515 -6.036 1.00 0.46 C ATOM 142 CG ARG A 10 -3.452 -5.357 -7.305 1.00 0.97 C ATOM 143 CD ARG A 10 -4.906 -5.469 -7.746 1.00 1.34 C ATOM 144 NE ARG A 10 -5.060 -6.220 -8.992 1.00 2.11 N ATOM 145 CZ ARG A 10 -6.054 -6.027 -9.856 1.00 2.72 C ATOM 146 NH1 ARG A 10 -6.993 -5.123 -9.603 1.00 2.74 N ATOM 147 NH2 ARG A 10 -6.111 -6.737 -10.972 1.00 3.67 N ATOM 0 H ARG A 10 -4.114 -3.019 -8.138 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.441 -2.514 -5.310 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.439 -4.844 -5.490 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.184 -4.715 -5.398 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -2.860 -4.909 -8.104 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -3.045 -6.353 -7.127 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -5.484 -5.955 -6.960 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -5.321 -4.469 -7.875 1.00 1.34 H new ATOM 0 HE ARG A 10 -4.365 -6.933 -9.212 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -6.954 -4.574 -8.744 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -7.753 -4.978 -10.267 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -5.393 -7.433 -11.171 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -6.873 -6.588 -11.633 1.00 3.67 H new ATOM 161 N PRO A 11 -0.986 -2.131 -5.828 1.00 0.43 N ATOM 162 CA PRO A 11 0.368 -1.766 -6.187 1.00 0.50 C ATOM 163 C PRO A 11 1.208 -3.005 -6.436 1.00 0.47 C ATOM 164 O PRO A 11 0.858 -4.109 -6.012 1.00 0.54 O ATOM 165 CB PRO A 11 0.886 -0.972 -4.992 1.00 0.62 C ATOM 166 CG PRO A 11 -0.017 -1.280 -3.856 1.00 0.64 C ATOM 167 CD PRO A 11 -1.277 -1.906 -4.406 1.00 0.53 C ATOM 0 HA PRO A 11 0.413 -1.184 -7.108 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.913 -1.251 -4.757 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.887 0.096 -5.208 1.00 0.62 H new ATOM 0 HG2 PRO A 11 0.471 -1.960 -3.157 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -0.255 -0.371 -3.303 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -1.511 -2.841 -3.896 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.136 -1.248 -4.276 1.00 0.53 H new ATOM 175 N GLN A 12 2.299 -2.822 -7.145 1.00 0.44 N ATOM 176 CA GLN A 12 3.124 -3.920 -7.574 1.00 0.43 C ATOM 177 C GLN A 12 4.515 -3.753 -7.015 1.00 0.37 C ATOM 178 O GLN A 12 4.766 -2.810 -6.271 1.00 0.40 O ATOM 179 CB GLN A 12 3.132 -3.938 -9.091 1.00 0.55 C ATOM 180 CG GLN A 12 1.727 -4.029 -9.664 1.00 0.73 C ATOM 181 CD GLN A 12 1.141 -5.428 -9.560 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.239 -6.220 -10.496 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.564 -5.760 -8.412 1.00 1.32 N ATOM 0 H GLN A 12 2.637 -1.905 -7.439 1.00 0.44 H new ATOM 0 HA GLN A 12 2.734 -4.870 -7.209 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.618 -3.036 -9.462 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.722 -4.785 -9.441 1.00 0.55 H new ATOM 0 HG2 GLN A 12 1.079 -3.328 -9.139 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.745 -3.724 -10.710 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.500 -5.077 -7.657 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.184 -6.698 -8.285 1.00 1.32 H new ATOM 192 N ASP A 13 5.402 -4.664 -7.361 1.00 0.34 N ATOM 193 CA ASP A 13 6.723 -4.680 -6.884 1.00 0.33 C ATOM 194 C ASP A 13 7.540 -3.535 -7.443 1.00 0.36 C ATOM 195 O ASP A 13 7.044 -2.466 -7.804 1.00 0.50 O ATOM 196 CB ASP A 13 7.337 -6.009 -7.320 1.00 0.35 C ATOM 197 CG ASP A 13 7.140 -6.291 -8.802 1.00 1.04 C ATOM 198 OD1 ASP A 13 6.023 -6.678 -9.199 1.00 1.03 O ATOM 199 OD2 ASP A 13 8.109 -6.135 -9.576 1.00 2.06 O ATOM 0 H ASP A 13 5.192 -5.428 -8.004 1.00 0.34 H new ATOM 0 HA ASP A 13 6.722 -4.569 -5.800 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.403 -6.003 -7.095 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.893 -6.817 -6.739 1.00 0.35 H new ATOM 204 N GLY A 14 8.799 -3.816 -7.537 1.00 0.30 N ATOM 205 CA GLY A 14 9.768 -2.840 -7.933 1.00 0.30 C ATOM 206 C GLY A 14 11.130 -3.152 -7.398 1.00 0.25 C ATOM 207 O GLY A 14 11.306 -3.512 -6.234 1.00 0.28 O ATOM 0 H GLY A 14 9.190 -4.737 -7.340 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.809 -2.791 -9.021 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.457 -1.857 -7.581 1.00 0.30 H new ATOM 211 N GLU A 15 12.084 -3.025 -8.268 1.00 0.26 N ATOM 212 CA GLU A 15 13.481 -3.189 -7.921 1.00 0.25 C ATOM 213 C GLU A 15 14.167 -1.847 -8.047 1.00 0.23 C ATOM 214 O GLU A 15 14.306 -1.319 -9.149 1.00 0.30 O ATOM 215 CB GLU A 15 14.179 -4.213 -8.825 1.00 0.33 C ATOM 216 CG GLU A 15 13.602 -5.615 -8.752 1.00 0.69 C ATOM 217 CD GLU A 15 14.540 -6.635 -9.357 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.658 -6.804 -8.822 1.00 1.48 O ATOM 219 OE2 GLU A 15 14.180 -7.256 -10.372 1.00 1.53 O ATOM 0 H GLU A 15 11.924 -2.803 -9.251 1.00 0.26 H new ATOM 0 HA GLU A 15 13.543 -3.562 -6.899 1.00 0.25 H new ATOM 0 HB2 GLU A 15 14.124 -3.865 -9.856 1.00 0.33 H new ATOM 0 HB3 GLU A 15 15.235 -4.254 -8.558 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.404 -5.874 -7.712 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.646 -5.643 -9.275 1.00 0.69 H new ATOM 226 N VAL A 16 14.593 -1.284 -6.931 1.00 0.20 N ATOM 227 CA VAL A 16 15.078 0.031 -6.911 1.00 0.21 C ATOM 228 C VAL A 16 16.388 0.030 -6.187 1.00 0.22 C ATOM 229 O VAL A 16 16.739 -0.921 -5.497 1.00 0.27 O ATOM 230 CB VAL A 16 14.102 0.993 -6.217 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.674 0.740 -6.668 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.225 0.917 -4.700 1.00 0.23 C ATOM 0 H VAL A 16 14.601 -1.751 -6.024 1.00 0.20 H new ATOM 0 HA VAL A 16 15.196 0.379 -7.937 1.00 0.21 H new ATOM 0 HB VAL A 16 14.372 2.007 -6.514 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.004 1.435 -6.161 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.601 0.887 -7.746 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.390 -0.283 -6.421 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.520 1.611 -4.243 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.004 -0.097 -4.367 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.240 1.183 -4.403 1.00 0.23 H new ATOM 242 N THR A 17 17.088 1.079 -6.369 1.00 0.23 N ATOM 243 CA THR A 17 18.378 1.270 -5.766 1.00 0.27 C ATOM 244 C THR A 17 18.207 1.972 -4.427 1.00 0.28 C ATOM 245 O THR A 17 17.235 2.710 -4.231 1.00 0.28 O ATOM 246 CB THR A 17 19.251 2.142 -6.672 1.00 0.35 C ATOM 247 OG1 THR A 17 18.634 2.265 -7.962 1.00 0.77 O ATOM 248 CG2 THR A 17 20.649 1.566 -6.827 1.00 0.56 C ATOM 0 H THR A 17 16.787 1.859 -6.954 1.00 0.23 H new ATOM 0 HA THR A 17 18.853 0.300 -5.624 1.00 0.27 H new ATOM 0 HB THR A 17 19.342 3.124 -6.207 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.193 2.825 -8.540 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.239 2.212 -7.477 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.126 1.501 -5.849 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.586 0.570 -7.266 1.00 0.56 H new ATOM 256 N VAL A 18 19.132 1.754 -3.506 1.00 0.31 N ATOM 257 CA VAL A 18 19.132 2.505 -2.275 1.00 0.35 C ATOM 258 C VAL A 18 19.502 3.907 -2.602 1.00 0.36 C ATOM 259 O VAL A 18 20.639 4.235 -2.938 1.00 0.39 O ATOM 260 CB VAL A 18 20.113 2.034 -1.213 1.00 0.44 C ATOM 261 CG1 VAL A 18 19.881 2.779 0.092 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.035 0.543 -0.993 1.00 0.78 C ATOM 0 H VAL A 18 19.883 1.069 -3.592 1.00 0.31 H new ATOM 0 HA VAL A 18 18.134 2.379 -1.856 1.00 0.35 H new ATOM 0 HB VAL A 18 21.117 2.256 -1.574 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.591 2.430 0.841 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.020 3.848 -0.070 1.00 0.76 H new ATOM 0 HG13 VAL A 18 18.865 2.594 0.441 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.753 0.250 -0.227 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.029 0.275 -0.670 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.267 0.025 -1.924 1.00 0.78 H new ATOM 272 N GLY A 19 18.509 4.684 -2.535 1.00 0.38 N ATOM 273 CA GLY A 19 18.642 6.096 -2.734 1.00 0.45 C ATOM 274 C GLY A 19 17.822 6.600 -3.893 1.00 0.40 C ATOM 275 O GLY A 19 18.009 7.733 -4.329 1.00 0.48 O ATOM 0 H GLY A 19 17.557 4.375 -2.339 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.338 6.617 -1.826 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.691 6.337 -2.904 1.00 0.45 H new ATOM 279 N GLY A 20 16.922 5.776 -4.425 1.00 0.32 N ATOM 280 CA GLY A 20 16.026 6.279 -5.405 1.00 0.32 C ATOM 281 C GLY A 20 14.701 6.524 -4.812 1.00 0.30 C ATOM 282 O GLY A 20 14.526 7.302 -3.883 1.00 0.44 O ATOM 0 H GLY A 20 16.812 4.790 -4.189 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.420 7.204 -5.826 1.00 0.32 H new ATOM 0 HA3 GLY A 20 15.938 5.567 -6.226 1.00 0.32 H new ATOM 286 N SER A 21 13.775 5.868 -5.393 1.00 0.24 N ATOM 287 CA SER A 21 12.450 5.846 -4.945 1.00 0.22 C ATOM 288 C SER A 21 11.782 4.562 -5.353 1.00 0.22 C ATOM 289 O SER A 21 12.326 3.747 -6.092 1.00 0.25 O ATOM 290 CB SER A 21 11.713 7.023 -5.516 1.00 0.30 C ATOM 291 OG SER A 21 11.910 7.132 -6.915 1.00 0.82 O ATOM 0 H SER A 21 13.932 5.308 -6.231 1.00 0.24 H new ATOM 0 HA SER A 21 12.436 5.907 -3.857 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.648 6.924 -5.304 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.051 7.937 -5.028 1.00 0.30 H new ATOM 0 HG SER A 21 11.416 7.907 -7.256 1.00 0.82 H new ATOM 297 N ILE A 22 10.618 4.414 -4.832 1.00 0.22 N ATOM 298 CA ILE A 22 9.678 3.428 -5.201 1.00 0.24 C ATOM 299 C ILE A 22 8.329 4.038 -4.989 1.00 0.25 C ATOM 300 O ILE A 22 8.130 4.915 -4.151 1.00 0.27 O ATOM 301 CB ILE A 22 9.810 2.121 -4.416 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.849 1.064 -4.949 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.586 2.318 -2.929 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.141 0.627 -6.370 1.00 0.32 C ATOM 0 H ILE A 22 10.278 5.021 -4.087 1.00 0.22 H new ATOM 0 HA ILE A 22 9.848 3.142 -6.239 1.00 0.24 H new ATOM 0 HB ILE A 22 10.835 1.776 -4.556 1.00 0.25 H new ATOM 0 HG12 ILE A 22 8.886 0.192 -4.297 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.833 1.455 -4.901 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.690 1.362 -2.416 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.323 3.021 -2.540 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.584 2.713 -2.761 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.414 -0.126 -6.676 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.075 1.487 -7.036 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.145 0.205 -6.422 1.00 0.32 H new ATOM 316 N THR A 23 7.437 3.613 -5.770 1.00 0.25 N ATOM 317 CA THR A 23 6.122 4.200 -5.785 1.00 0.23 C ATOM 318 C THR A 23 5.056 3.145 -5.882 1.00 0.24 C ATOM 319 O THR A 23 5.048 2.307 -6.781 1.00 0.28 O ATOM 320 CB THR A 23 5.936 5.204 -6.924 1.00 0.26 C ATOM 321 OG1 THR A 23 7.109 6.020 -7.064 1.00 0.31 O ATOM 322 CG2 THR A 23 4.723 6.089 -6.650 1.00 0.24 C ATOM 0 H THR A 23 7.569 2.847 -6.430 1.00 0.25 H new ATOM 0 HA THR A 23 6.025 4.736 -4.841 1.00 0.23 H new ATOM 0 HB THR A 23 5.775 4.653 -7.850 1.00 0.26 H new ATOM 0 HG1 THR A 23 6.979 6.657 -7.797 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.600 6.800 -7.467 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.830 5.469 -6.571 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.872 6.631 -5.716 1.00 0.24 H new ATOM 330 N PHE A 24 4.168 3.205 -4.936 1.00 0.24 N ATOM 331 CA PHE A 24 3.038 2.326 -4.876 1.00 0.27 C ATOM 332 C PHE A 24 1.763 3.137 -4.937 1.00 0.24 C ATOM 333 O PHE A 24 1.663 4.217 -4.362 1.00 0.30 O ATOM 334 CB PHE A 24 3.067 1.528 -3.586 1.00 0.40 C ATOM 335 CG PHE A 24 4.291 0.670 -3.421 1.00 0.33 C ATOM 336 CD1 PHE A 24 4.648 -0.257 -4.384 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.085 0.794 -2.297 1.00 0.43 C ATOM 338 CE1 PHE A 24 5.777 -1.043 -4.225 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.211 0.013 -2.133 1.00 0.51 C ATOM 340 CZ PHE A 24 6.558 -0.908 -3.098 1.00 0.49 C ATOM 0 H PHE A 24 4.209 3.878 -4.170 1.00 0.24 H new ATOM 0 HA PHE A 24 3.077 1.639 -5.722 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.003 2.217 -2.744 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.183 0.892 -3.545 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.040 -0.369 -5.269 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.821 1.513 -1.536 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.045 -1.762 -4.985 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.820 0.124 -1.248 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.438 -1.521 -2.971 1.00 0.49 H new ATOM 350 N SER A 25 0.815 2.622 -5.664 1.00 0.28 N ATOM 351 CA SER A 25 -0.503 3.193 -5.739 1.00 0.28 C ATOM 352 C SER A 25 -1.522 2.099 -5.497 1.00 0.27 C ATOM 353 O SER A 25 -1.586 1.103 -6.217 1.00 0.31 O ATOM 354 CB SER A 25 -0.753 3.828 -7.091 1.00 0.35 C ATOM 355 OG SER A 25 0.459 4.256 -7.688 1.00 0.58 O ATOM 0 H SER A 25 0.935 1.782 -6.230 1.00 0.28 H new ATOM 0 HA SER A 25 -0.590 3.972 -4.982 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.251 3.112 -7.745 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.426 4.678 -6.978 1.00 0.35 H new ATOM 0 HG SER A 25 0.269 4.660 -8.560 1.00 0.58 H new ATOM 361 N ALA A 26 -2.281 2.295 -4.470 1.00 0.26 N ATOM 362 CA ALA A 26 -3.283 1.334 -4.040 1.00 0.26 C ATOM 363 C ALA A 26 -4.660 1.982 -4.019 1.00 0.22 C ATOM 364 O ALA A 26 -4.901 2.913 -3.260 1.00 0.25 O ATOM 365 CB ALA A 26 -2.920 0.787 -2.669 1.00 0.32 C ATOM 0 H ALA A 26 -2.234 3.132 -3.889 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.310 0.505 -4.747 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.675 0.067 -2.353 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.949 0.295 -2.719 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.876 1.606 -1.951 1.00 0.32 H new ATOM 371 N ARG A 27 -5.555 1.497 -4.858 1.00 0.22 N ATOM 372 CA ARG A 27 -6.865 2.114 -5.011 1.00 0.25 C ATOM 373 C ARG A 27 -7.946 1.205 -4.462 1.00 0.23 C ATOM 374 O ARG A 27 -8.089 0.067 -4.910 1.00 0.31 O ATOM 375 CB ARG A 27 -7.143 2.412 -6.484 1.00 0.36 C ATOM 376 CG ARG A 27 -6.053 3.229 -7.152 1.00 0.28 C ATOM 377 CD ARG A 27 -6.330 3.414 -8.630 1.00 0.46 C ATOM 378 NE ARG A 27 -7.280 4.493 -8.887 1.00 1.22 N ATOM 379 CZ ARG A 27 -7.756 4.791 -10.094 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.424 4.048 -11.141 1.00 1.46 N ATOM 381 NH2 ARG A 27 -8.568 5.827 -10.250 1.00 2.43 N ATOM 0 H ARG A 27 -5.402 0.677 -5.446 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.870 3.049 -4.451 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.261 1.471 -7.021 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.089 2.947 -6.566 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -5.979 4.203 -6.669 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.091 2.733 -7.019 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.395 3.626 -9.149 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.720 2.484 -9.043 1.00 0.46 H new ATOM 0 HE ARG A 27 -7.598 5.051 -8.095 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.803 3.247 -11.022 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.789 4.277 -12.065 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -8.829 6.397 -9.445 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -8.932 6.055 -11.175 1.00 2.43 H new ATOM 395 N VAL A 28 -8.712 1.709 -3.508 1.00 0.19 N ATOM 396 CA VAL A 28 -9.745 0.930 -2.891 1.00 0.20 C ATOM 397 C VAL A 28 -11.083 1.595 -3.073 1.00 0.23 C ATOM 398 O VAL A 28 -11.265 2.784 -2.799 1.00 0.24 O ATOM 399 CB VAL A 28 -9.513 0.707 -1.395 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.496 -0.328 -0.856 1.00 0.26 C ATOM 401 CG2 VAL A 28 -8.076 0.298 -1.139 1.00 0.23 C ATOM 0 H VAL A 28 -8.628 2.661 -3.150 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.726 -0.042 -3.384 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.690 1.642 -0.864 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -10.320 -0.477 0.209 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.516 0.025 -1.009 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.355 -1.272 -1.382 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.927 0.143 -0.070 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.860 -0.627 -1.673 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.406 1.084 -1.489 1.00 0.23 H new ATOM 411 N ALA A 29 -11.984 0.806 -3.565 1.00 0.29 N ATOM 412 CA ALA A 29 -13.362 1.185 -3.738 1.00 0.32 C ATOM 413 C ALA A 29 -13.999 1.498 -2.397 1.00 0.34 C ATOM 414 O ALA A 29 -14.198 0.607 -1.571 1.00 0.40 O ATOM 415 CB ALA A 29 -14.129 0.076 -4.434 1.00 0.38 C ATOM 0 H ALA A 29 -11.783 -0.147 -3.868 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.398 2.081 -4.358 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.170 0.376 -4.558 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.687 -0.114 -5.412 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.082 -0.832 -3.832 1.00 0.38 H new ATOM 421 N GLY A 30 -14.267 2.771 -2.189 1.00 0.35 N ATOM 422 CA GLY A 30 -15.012 3.209 -1.020 1.00 0.42 C ATOM 423 C GLY A 30 -16.290 2.406 -0.835 1.00 0.50 C ATOM 424 O GLY A 30 -16.645 2.030 0.281 1.00 0.76 O ATOM 0 H GLY A 30 -13.980 3.524 -2.814 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.388 3.109 -0.132 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.258 4.266 -1.120 1.00 0.42 H new ATOM 428 N ALA A 31 -16.972 2.166 -1.956 1.00 0.49 N ATOM 429 CA ALA A 31 -18.132 1.276 -2.011 1.00 0.55 C ATOM 430 C ALA A 31 -19.250 1.690 -1.053 1.00 0.64 C ATOM 431 O ALA A 31 -19.284 2.815 -0.549 1.00 0.71 O ATOM 432 CB ALA A 31 -17.697 -0.153 -1.721 1.00 0.58 C ATOM 0 H ALA A 31 -16.734 2.585 -2.855 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.542 1.347 -3.018 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -18.564 -0.813 -1.763 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.965 -0.468 -2.464 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.251 -0.203 -0.728 1.00 0.58 H new ATOM 438 N SER A 32 -20.190 0.778 -0.860 1.00 0.85 N ATOM 439 CA SER A 32 -21.223 0.928 0.143 1.00 0.96 C ATOM 440 C SER A 32 -21.018 -0.131 1.214 1.00 1.01 C ATOM 441 O SER A 32 -21.190 -1.328 0.961 1.00 1.69 O ATOM 442 CB SER A 32 -22.605 0.789 -0.496 1.00 1.19 C ATOM 443 OG SER A 32 -22.671 -0.368 -1.314 1.00 1.74 O ATOM 0 H SER A 32 -20.255 -0.087 -1.397 1.00 0.85 H new ATOM 0 HA SER A 32 -21.161 1.918 0.594 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.366 0.733 0.282 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.825 1.674 -1.093 1.00 1.19 H new ATOM 0 HG SER A 32 -22.236 -1.117 -0.856 1.00 1.74 H new ATOM 449 N LEU A 33 -20.624 0.306 2.397 1.00 0.96 N ATOM 450 CA LEU A 33 -20.226 -0.608 3.446 1.00 0.93 C ATOM 451 C LEU A 33 -20.572 -0.020 4.826 1.00 0.90 C ATOM 452 O LEU A 33 -20.758 1.191 4.956 1.00 0.98 O ATOM 453 CB LEU A 33 -18.720 -0.915 3.266 1.00 0.99 C ATOM 454 CG LEU A 33 -17.844 -0.804 4.477 1.00 1.26 C ATOM 455 CD1 LEU A 33 -18.013 -1.986 5.405 1.00 2.16 C ATOM 456 CD2 LEU A 33 -16.409 -0.637 4.062 1.00 1.95 C ATOM 0 H LEU A 33 -20.572 1.292 2.653 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.772 -1.549 3.382 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.627 -1.928 2.875 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.328 -0.242 2.504 1.00 0.99 H new ATOM 0 HG LEU A 33 -18.151 0.080 5.036 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.360 -1.866 6.270 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -19.049 -2.042 5.738 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.751 -2.903 4.877 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -15.781 -0.557 4.949 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -16.098 -1.500 3.473 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -16.307 0.267 3.462 1.00 1.95 H new ATOM 468 N LEU A 34 -20.682 -0.905 5.831 1.00 0.87 N ATOM 469 CA LEU A 34 -21.012 -0.536 7.218 1.00 0.89 C ATOM 470 C LEU A 34 -20.179 0.641 7.694 1.00 0.84 C ATOM 471 O LEU A 34 -20.624 1.527 8.418 1.00 0.95 O ATOM 472 CB LEU A 34 -20.721 -1.702 8.138 1.00 1.01 C ATOM 473 CG LEU A 34 -21.207 -2.992 7.568 1.00 1.22 C ATOM 474 CD1 LEU A 34 -20.422 -4.168 8.122 1.00 1.45 C ATOM 475 CD2 LEU A 34 -22.692 -3.172 7.821 1.00 1.47 C ATOM 0 H LEU A 34 -20.543 -1.907 5.702 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.068 -0.267 7.240 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -19.648 -1.765 8.317 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -21.195 -1.530 9.104 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.046 -2.959 6.490 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -20.799 -5.094 7.688 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -19.368 -4.053 7.871 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -20.535 -4.203 9.206 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -23.021 -4.120 7.396 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -22.881 -3.171 8.894 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -23.242 -2.355 7.355 1.00 1.47 H new ATOM 487 N LYS A 35 -18.957 0.584 7.248 1.00 0.76 N ATOM 488 CA LYS A 35 -17.873 1.430 7.664 1.00 0.76 C ATOM 489 C LYS A 35 -17.224 2.005 6.412 1.00 0.65 C ATOM 490 O LYS A 35 -17.718 1.793 5.313 1.00 0.75 O ATOM 491 CB LYS A 35 -16.879 0.578 8.473 1.00 0.90 C ATOM 492 CG LYS A 35 -17.090 -0.934 8.332 1.00 0.92 C ATOM 493 CD LYS A 35 -15.847 -1.638 7.799 1.00 0.90 C ATOM 494 CE LYS A 35 -14.697 -1.574 8.791 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.953 -2.408 9.995 1.00 1.40 N ATOM 0 H LYS A 35 -18.673 -0.095 6.542 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.214 2.252 8.294 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -15.865 0.823 8.157 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -16.958 0.848 9.526 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.357 -1.355 9.302 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.928 -1.122 7.661 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -16.083 -2.680 7.582 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -15.543 -1.178 6.859 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -13.781 -1.910 8.306 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.537 -0.539 9.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.089 -2.459 10.572 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -15.719 -1.983 10.555 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.230 -3.366 9.701 1.00 1.40 H new ATOM 509 N PRO A 36 -16.182 2.800 6.550 1.00 0.65 N ATOM 510 CA PRO A 36 -15.291 3.086 5.450 1.00 0.56 C ATOM 511 C PRO A 36 -14.368 1.893 5.299 1.00 0.45 C ATOM 512 O PRO A 36 -14.051 1.245 6.304 1.00 0.47 O ATOM 513 CB PRO A 36 -14.512 4.327 5.913 1.00 0.61 C ATOM 514 CG PRO A 36 -15.066 4.675 7.257 1.00 0.88 C ATOM 515 CD PRO A 36 -15.728 3.428 7.767 1.00 0.88 C ATOM 0 HA PRO A 36 -15.786 3.262 4.495 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.444 4.119 5.972 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.638 5.152 5.212 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.275 5.001 7.933 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.781 5.494 7.184 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -15.032 2.794 8.316 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -16.554 3.653 8.441 1.00 0.88 H new ATOM 523 N PRO A 37 -13.955 1.532 4.083 1.00 0.40 N ATOM 524 CA PRO A 37 -13.096 0.379 3.913 1.00 0.35 C ATOM 525 C PRO A 37 -11.828 0.543 4.703 1.00 0.32 C ATOM 526 O PRO A 37 -11.143 1.561 4.612 1.00 0.36 O ATOM 527 CB PRO A 37 -12.770 0.332 2.438 1.00 0.40 C ATOM 528 CG PRO A 37 -13.735 1.269 1.767 1.00 0.53 C ATOM 529 CD PRO A 37 -14.257 2.211 2.818 1.00 0.47 C ATOM 0 HA PRO A 37 -13.582 -0.533 4.260 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.740 0.638 2.257 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.875 -0.680 2.048 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.240 1.822 0.969 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.554 0.713 1.310 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.769 3.184 2.760 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -15.327 2.384 2.703 1.00 0.47 H new ATOM 537 N VAL A 38 -11.515 -0.461 5.466 1.00 0.29 N ATOM 538 CA VAL A 38 -10.361 -0.397 6.303 1.00 0.27 C ATOM 539 C VAL A 38 -9.259 -1.104 5.605 1.00 0.22 C ATOM 540 O VAL A 38 -9.193 -2.328 5.536 1.00 0.20 O ATOM 541 CB VAL A 38 -10.572 -1.020 7.685 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.278 -1.035 8.490 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.653 -0.283 8.447 1.00 0.77 C ATOM 0 H VAL A 38 -12.043 -1.332 5.524 1.00 0.29 H new ATOM 0 HA VAL A 38 -10.130 0.654 6.477 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.891 -2.052 7.535 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.462 -1.484 9.466 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.526 -1.618 7.959 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -8.920 -0.014 8.622 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.786 -0.743 9.426 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.363 0.760 8.572 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.589 -0.335 7.892 1.00 0.77 H new ATOM 553 N VAL A 39 -8.431 -0.299 5.062 1.00 0.22 N ATOM 554 CA VAL A 39 -7.254 -0.740 4.417 1.00 0.21 C ATOM 555 C VAL A 39 -6.094 -0.443 5.316 1.00 0.20 C ATOM 556 O VAL A 39 -5.794 0.709 5.630 1.00 0.23 O ATOM 557 CB VAL A 39 -6.985 -0.009 3.103 1.00 0.24 C ATOM 558 CG1 VAL A 39 -6.090 -0.844 2.206 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.273 0.397 2.408 1.00 0.24 C ATOM 0 H VAL A 39 -8.554 0.713 5.052 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.380 -1.802 4.206 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.457 0.917 3.332 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.908 -0.309 1.274 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.141 -1.029 2.709 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.577 -1.795 1.989 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -8.037 0.914 1.478 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.864 -0.492 2.189 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.843 1.061 3.058 1.00 0.24 H new ATOM 569 N LYS A 40 -5.476 -1.478 5.739 1.00 0.19 N ATOM 570 CA LYS A 40 -4.278 -1.388 6.485 1.00 0.20 C ATOM 571 C LYS A 40 -3.125 -1.803 5.638 1.00 0.19 C ATOM 572 O LYS A 40 -3.145 -2.802 4.916 1.00 0.21 O ATOM 573 CB LYS A 40 -4.335 -2.215 7.757 1.00 0.26 C ATOM 574 CG LYS A 40 -4.699 -3.673 7.551 1.00 0.31 C ATOM 575 CD LYS A 40 -3.472 -4.545 7.275 1.00 0.37 C ATOM 576 CE LYS A 40 -2.519 -4.579 8.460 1.00 0.86 C ATOM 577 NZ LYS A 40 -1.450 -5.596 8.275 1.00 1.54 N ATOM 0 H LYS A 40 -5.794 -2.433 5.574 1.00 0.19 H new ATOM 0 HA LYS A 40 -4.148 -0.349 6.788 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.365 -2.163 8.251 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -5.062 -1.766 8.434 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -5.214 -4.045 8.436 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -5.396 -3.757 6.717 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.794 -5.559 7.039 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.947 -4.165 6.398 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -2.067 -3.596 8.593 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -3.077 -4.799 9.370 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -1.236 -6.045 9.188 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -1.772 -6.319 7.601 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -0.593 -5.136 7.906 1.00 1.54 H new ATOM 591 N TRP A 41 -2.168 -0.962 5.685 1.00 0.18 N ATOM 592 CA TRP A 41 -0.918 -1.185 5.032 1.00 0.19 C ATOM 593 C TRP A 41 0.053 -1.968 5.882 1.00 0.21 C ATOM 594 O TRP A 41 0.014 -1.946 7.113 1.00 0.28 O ATOM 595 CB TRP A 41 -0.320 0.145 4.663 1.00 0.21 C ATOM 596 CG TRP A 41 -1.052 0.780 3.550 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.140 1.591 3.635 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.781 0.591 2.173 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.508 1.993 2.369 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.699 1.370 1.462 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.166 -0.148 1.473 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.702 1.424 0.084 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.162 -0.098 0.101 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.765 0.684 -0.581 1.00 0.33 C ATOM 0 H TRP A 41 -2.222 -0.076 6.187 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.108 -1.784 4.142 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.334 0.804 5.531 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.724 0.010 4.382 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.638 1.875 4.550 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.259 2.646 2.147 1.00 0.24 H new ATOM 0 HE3 TRP A 41 0.892 -0.751 1.999 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.419 2.029 -0.451 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 0.887 -0.673 -0.456 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.744 0.707 -1.661 1.00 0.33 H new ATOM 615 N PHE A 42 0.914 -2.659 5.184 1.00 0.21 N ATOM 616 CA PHE A 42 2.047 -3.322 5.764 1.00 0.23 C ATOM 617 C PHE A 42 3.220 -2.920 4.911 1.00 0.26 C ATOM 618 O PHE A 42 3.101 -2.847 3.693 1.00 0.34 O ATOM 619 CB PHE A 42 1.867 -4.841 5.771 1.00 0.26 C ATOM 620 CG PHE A 42 2.866 -5.577 6.626 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.633 -5.777 7.978 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.038 -6.062 6.072 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.552 -6.453 8.764 1.00 0.62 C ATOM 624 CE2 PHE A 42 4.962 -6.734 6.850 1.00 0.50 C ATOM 625 CZ PHE A 42 4.703 -6.937 8.209 1.00 0.60 C ATOM 0 H PHE A 42 0.844 -2.778 4.173 1.00 0.21 H new ATOM 0 HA PHE A 42 2.185 -3.037 6.807 1.00 0.23 H new ATOM 0 HB2 PHE A 42 0.862 -5.075 6.123 1.00 0.26 H new ATOM 0 HB3 PHE A 42 1.940 -5.209 4.748 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.724 -5.401 8.424 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.233 -5.914 5.020 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.358 -6.598 9.817 1.00 0.62 H new ATOM 0 HE2 PHE A 42 5.878 -7.100 6.411 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.412 -7.476 8.820 1.00 0.60 H new ATOM 635 N LYS A 43 4.308 -2.603 5.538 1.00 0.28 N ATOM 636 CA LYS A 43 5.454 -2.060 4.856 1.00 0.31 C ATOM 637 C LYS A 43 6.458 -3.187 4.726 1.00 0.39 C ATOM 638 O LYS A 43 6.307 -4.143 5.445 1.00 0.81 O ATOM 639 CB LYS A 43 6.011 -0.864 5.658 1.00 0.40 C ATOM 640 CG LYS A 43 7.285 -0.234 5.121 1.00 0.54 C ATOM 641 CD LYS A 43 7.845 0.775 6.111 1.00 0.67 C ATOM 642 CE LYS A 43 9.041 1.498 5.535 1.00 1.29 C ATOM 643 NZ LYS A 43 9.716 2.369 6.540 1.00 2.17 N ATOM 0 H LYS A 43 4.434 -2.712 6.544 1.00 0.28 H new ATOM 0 HA LYS A 43 5.205 -1.681 3.865 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.241 -0.094 5.705 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.196 -1.193 6.681 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.026 -1.009 4.926 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.081 0.257 4.170 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.072 1.497 6.375 1.00 0.67 H new ATOM 0 HD3 LYS A 43 8.133 0.265 7.031 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.755 0.768 5.153 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.722 2.105 4.688 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.539 2.830 6.103 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.050 3.094 6.874 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 10.030 1.791 7.345 1.00 2.17 H new ATOM 657 N GLY A 44 7.479 -2.983 3.882 1.00 0.64 N ATOM 658 CA GLY A 44 8.587 -3.918 3.568 1.00 0.92 C ATOM 659 C GLY A 44 8.777 -5.181 4.421 1.00 0.39 C ATOM 660 O GLY A 44 7.857 -5.721 4.942 1.00 1.23 O ATOM 0 H GLY A 44 7.566 -2.109 3.364 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.460 -4.239 2.534 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.516 -3.350 3.614 1.00 0.92 H new ATOM 664 N LYS A 45 9.908 -5.841 4.250 1.00 0.85 N ATOM 665 CA LYS A 45 10.128 -7.203 4.782 1.00 1.06 C ATOM 666 C LYS A 45 9.671 -7.455 6.249 1.00 0.74 C ATOM 667 O LYS A 45 9.809 -8.581 6.736 1.00 0.82 O ATOM 668 CB LYS A 45 11.622 -7.515 4.689 1.00 1.67 C ATOM 669 CG LYS A 45 11.956 -8.538 3.622 1.00 2.44 C ATOM 670 CD LYS A 45 13.450 -8.788 3.529 1.00 2.82 C ATOM 671 CE LYS A 45 14.030 -9.293 4.838 1.00 2.98 C ATOM 672 NZ LYS A 45 15.477 -9.604 4.714 1.00 3.87 N ATOM 0 H LYS A 45 10.707 -5.462 3.742 1.00 0.85 H new ATOM 0 HA LYS A 45 9.502 -7.853 4.171 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.166 -6.594 4.482 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.970 -7.881 5.655 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.444 -9.474 3.843 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.585 -8.192 2.657 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.646 -9.516 2.742 1.00 2.82 H new ATOM 0 HD3 LYS A 45 13.954 -7.865 3.243 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.884 -8.542 5.614 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.492 -10.186 5.154 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.838 -9.946 5.627 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.613 -10.339 3.991 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.994 -8.745 4.437 1.00 3.87 H new ATOM 686 N TRP A 46 9.138 -6.448 6.955 1.00 0.58 N ATOM 687 CA TRP A 46 8.701 -6.635 8.338 1.00 0.57 C ATOM 688 C TRP A 46 7.852 -5.488 8.905 1.00 0.63 C ATOM 689 O TRP A 46 7.263 -5.622 9.975 1.00 0.74 O ATOM 690 CB TRP A 46 9.922 -6.744 9.211 1.00 0.76 C ATOM 691 CG TRP A 46 10.982 -5.748 8.867 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.889 -5.833 7.853 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.238 -4.514 9.537 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.678 -4.719 7.831 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.304 -3.892 8.863 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.663 -3.872 10.636 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.808 -2.658 9.259 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.164 -2.650 11.026 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.226 -2.052 10.340 1.00 2.11 C ATOM 0 H TRP A 46 9.001 -5.505 6.592 1.00 0.58 H new ATOM 0 HA TRP A 46 8.079 -7.530 8.334 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.630 -6.609 10.252 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.335 -7.749 9.124 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.972 -6.662 7.166 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.422 -4.531 7.159 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.841 -4.325 11.170 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.629 -2.194 8.733 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.729 -2.145 11.876 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.595 -1.092 10.670 1.00 2.11 H new ATOM 710 N VAL A 47 7.796 -4.385 8.201 1.00 0.63 N ATOM 711 CA VAL A 47 7.425 -3.136 8.751 1.00 0.74 C ATOM 712 C VAL A 47 5.945 -2.857 8.626 1.00 0.59 C ATOM 713 O VAL A 47 5.185 -3.534 7.943 1.00 0.57 O ATOM 714 CB VAL A 47 8.199 -1.988 8.066 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.873 -1.130 9.102 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.228 -2.495 7.050 1.00 1.29 C ATOM 0 H VAL A 47 8.016 -4.346 7.206 1.00 0.63 H new ATOM 0 HA VAL A 47 7.675 -3.188 9.811 1.00 0.74 H new ATOM 0 HB VAL A 47 7.470 -1.395 7.514 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.416 -0.324 8.609 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.122 -0.707 9.769 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.570 -1.737 9.679 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.743 -1.647 6.599 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.954 -3.133 7.555 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.721 -3.067 6.273 1.00 1.29 H new ATOM 726 N ASP A 48 5.593 -1.849 9.340 1.00 0.60 N ATOM 727 CA ASP A 48 4.304 -1.215 9.303 1.00 0.56 C ATOM 728 C ASP A 48 4.534 0.159 8.717 1.00 0.58 C ATOM 729 O ASP A 48 5.647 0.653 8.754 1.00 0.96 O ATOM 730 CB ASP A 48 3.721 -1.105 10.712 1.00 0.73 C ATOM 731 CG ASP A 48 2.289 -0.605 10.735 1.00 1.88 C ATOM 732 OD1 ASP A 48 2.080 0.614 10.605 1.00 2.22 O ATOM 733 OD2 ASP A 48 1.369 -1.434 10.898 1.00 2.73 O ATOM 0 H ASP A 48 6.227 -1.411 10.008 1.00 0.60 H new ATOM 0 HA ASP A 48 3.594 -1.789 8.708 1.00 0.56 H new ATOM 0 HB2 ASP A 48 3.764 -2.083 11.192 1.00 0.73 H new ATOM 0 HB3 ASP A 48 4.342 -0.432 11.303 1.00 0.73 H new ATOM 738 N LEU A 49 3.538 0.745 8.132 1.00 0.39 N ATOM 739 CA LEU A 49 3.669 2.100 7.617 1.00 0.35 C ATOM 740 C LEU A 49 3.212 3.161 8.587 1.00 0.41 C ATOM 741 O LEU A 49 3.847 4.200 8.673 1.00 0.44 O ATOM 742 CB LEU A 49 2.900 2.296 6.322 1.00 0.29 C ATOM 743 CG LEU A 49 3.476 1.652 5.073 1.00 0.25 C ATOM 744 CD1 LEU A 49 2.974 0.259 4.870 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.084 2.445 3.884 1.00 0.28 C ATOM 0 H LEU A 49 2.621 0.320 7.992 1.00 0.39 H new ATOM 0 HA LEU A 49 4.739 2.217 7.445 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.890 1.912 6.466 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.810 3.367 6.140 1.00 0.29 H new ATOM 0 HG LEU A 49 4.558 1.622 5.201 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.415 -0.158 3.964 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.252 -0.356 5.726 1.00 0.36 H new ATOM 0 HD13 LEU A 49 1.889 0.274 4.772 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.497 1.984 2.987 1.00 0.28 H new ATOM 0 HD22 LEU A 49 1.997 2.475 3.809 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.469 3.460 3.980 1.00 0.28 H new ATOM 757 N SER A 50 2.172 2.891 9.347 1.00 0.48 N ATOM 758 CA SER A 50 1.460 3.921 10.080 1.00 0.58 C ATOM 759 C SER A 50 2.419 4.618 11.015 1.00 0.62 C ATOM 760 O SER A 50 2.195 5.754 11.438 1.00 0.70 O ATOM 761 CB SER A 50 0.289 3.306 10.854 1.00 0.73 C ATOM 762 OG SER A 50 -0.543 4.306 11.420 1.00 1.23 O ATOM 0 H SER A 50 1.795 1.952 9.475 1.00 0.48 H new ATOM 0 HA SER A 50 1.052 4.653 9.383 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.299 2.677 10.186 1.00 0.73 H new ATOM 0 HB3 SER A 50 0.673 2.661 11.644 1.00 0.73 H new ATOM 0 HG SER A 50 -1.281 3.881 11.905 1.00 1.23 H new ATOM 768 N SER A 51 3.507 3.929 11.316 1.00 0.64 N ATOM 769 CA SER A 51 4.486 4.459 12.204 1.00 0.75 C ATOM 770 C SER A 51 5.656 5.143 11.484 1.00 0.72 C ATOM 771 O SER A 51 6.291 6.048 12.026 1.00 0.85 O ATOM 772 CB SER A 51 4.999 3.351 13.107 1.00 0.90 C ATOM 773 OG SER A 51 4.031 2.984 14.077 1.00 1.34 O ATOM 0 H SER A 51 3.720 3.001 10.950 1.00 0.64 H new ATOM 0 HA SER A 51 3.998 5.235 12.793 1.00 0.75 H new ATOM 0 HB2 SER A 51 5.261 2.481 12.505 1.00 0.90 H new ATOM 0 HB3 SER A 51 5.911 3.679 13.606 1.00 0.90 H new ATOM 0 HG SER A 51 4.389 2.268 14.642 1.00 1.34 H new ATOM 779 N LYS A 52 5.932 4.705 10.272 1.00 0.62 N ATOM 780 CA LYS A 52 7.129 5.109 9.556 1.00 0.66 C ATOM 781 C LYS A 52 6.829 6.188 8.532 1.00 0.67 C ATOM 782 O LYS A 52 7.684 7.005 8.205 1.00 1.09 O ATOM 783 CB LYS A 52 7.697 3.897 8.844 1.00 0.65 C ATOM 784 CG LYS A 52 7.424 2.579 9.547 1.00 0.70 C ATOM 785 CD LYS A 52 7.926 2.536 10.986 1.00 0.78 C ATOM 786 CE LYS A 52 9.440 2.456 11.073 1.00 1.02 C ATOM 787 NZ LYS A 52 9.914 2.539 12.480 1.00 1.40 N ATOM 0 H LYS A 52 5.335 4.060 9.755 1.00 0.62 H new ATOM 0 HA LYS A 52 7.843 5.513 10.274 1.00 0.66 H new ATOM 0 HB2 LYS A 52 7.281 3.852 7.838 1.00 0.65 H new ATOM 0 HB3 LYS A 52 8.774 4.023 8.738 1.00 0.65 H new ATOM 0 HG2 LYS A 52 6.351 2.389 9.540 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.894 1.773 8.984 1.00 0.70 H new ATOM 0 HD2 LYS A 52 7.582 3.425 11.514 1.00 0.78 H new ATOM 0 HD3 LYS A 52 7.490 1.675 11.494 1.00 0.78 H new ATOM 0 HE2 LYS A 52 9.781 1.521 10.628 1.00 1.02 H new ATOM 0 HE3 LYS A 52 9.881 3.265 10.492 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 10.952 2.481 12.501 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 9.609 3.442 12.896 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 9.512 1.752 13.029 1.00 1.40 H new ATOM 801 N VAL A 53 5.636 6.092 7.995 1.00 0.34 N ATOM 802 CA VAL A 53 5.055 7.021 7.067 1.00 0.32 C ATOM 803 C VAL A 53 5.468 8.447 7.361 1.00 0.33 C ATOM 804 O VAL A 53 4.942 9.140 8.236 1.00 0.37 O ATOM 805 CB VAL A 53 3.527 6.817 7.037 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.767 7.963 6.388 1.00 0.34 C ATOM 807 CG2 VAL A 53 3.223 5.548 6.285 1.00 0.35 C ATOM 0 H VAL A 53 5.011 5.315 8.210 1.00 0.34 H new ATOM 0 HA VAL A 53 5.437 6.822 6.066 1.00 0.32 H new ATOM 0 HB VAL A 53 3.196 6.767 8.074 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.699 7.747 6.404 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.959 8.884 6.938 1.00 0.34 H new ATOM 0 HG13 VAL A 53 3.098 8.080 5.356 1.00 0.34 H new ATOM 0 HG21 VAL A 53 2.145 5.392 6.256 1.00 0.35 H new ATOM 0 HG22 VAL A 53 3.605 5.628 5.267 1.00 0.35 H new ATOM 0 HG23 VAL A 53 3.699 4.705 6.786 1.00 0.35 H new ATOM 817 N GLY A 54 6.469 8.821 6.613 1.00 0.35 N ATOM 818 CA GLY A 54 7.086 10.122 6.730 1.00 0.41 C ATOM 819 C GLY A 54 7.794 10.481 5.452 1.00 0.44 C ATOM 820 O GLY A 54 7.374 10.041 4.403 1.00 0.70 O ATOM 0 H GLY A 54 6.887 8.228 5.896 1.00 0.35 H new ATOM 0 HA2 GLY A 54 6.328 10.872 6.957 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.794 10.123 7.559 1.00 0.41 H new ATOM 824 N GLN A 55 8.906 11.200 5.538 1.00 0.36 N ATOM 825 CA GLN A 55 9.557 11.767 4.346 1.00 0.43 C ATOM 826 C GLN A 55 10.233 10.699 3.467 1.00 0.39 C ATOM 827 O GLN A 55 10.772 11.003 2.406 1.00 0.50 O ATOM 828 CB GLN A 55 10.577 12.824 4.767 1.00 0.61 C ATOM 829 CG GLN A 55 11.007 13.744 3.638 1.00 1.43 C ATOM 830 CD GLN A 55 11.956 14.825 4.102 1.00 2.08 C ATOM 831 OE1 GLN A 55 11.906 15.258 5.256 1.00 2.75 O ATOM 832 NE2 GLN A 55 12.817 15.278 3.208 1.00 2.69 N ATOM 0 H GLN A 55 9.382 11.409 6.416 1.00 0.36 H new ATOM 0 HA GLN A 55 8.774 12.223 3.740 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.153 13.425 5.571 1.00 0.61 H new ATOM 0 HB3 GLN A 55 11.457 12.325 5.172 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.487 13.155 2.856 1.00 1.43 H new ATOM 0 HG3 GLN A 55 10.125 14.205 3.194 1.00 1.43 H new ATOM 0 HE21 GLN A 55 12.823 14.891 2.264 1.00 2.69 H new ATOM 0 HE22 GLN A 55 13.475 16.015 3.462 1.00 2.69 H new ATOM 841 N HIS A 56 10.182 9.453 3.900 1.00 0.36 N ATOM 842 CA HIS A 56 10.821 8.353 3.165 1.00 0.41 C ATOM 843 C HIS A 56 9.782 7.377 2.628 1.00 0.35 C ATOM 844 O HIS A 56 9.946 6.774 1.583 1.00 0.42 O ATOM 845 CB HIS A 56 11.814 7.630 4.076 1.00 0.54 C ATOM 846 CG HIS A 56 11.226 7.209 5.385 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.510 6.046 5.540 1.00 0.87 N ATOM 848 CD2 HIS A 56 11.221 7.817 6.595 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.078 5.960 6.781 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.501 7.017 7.444 1.00 1.33 N ATOM 0 H HIS A 56 9.707 9.167 4.756 1.00 0.36 H new ATOM 0 HA HIS A 56 11.357 8.771 2.313 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.195 6.750 3.558 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.666 8.284 4.263 1.00 0.54 H new ATOM 0 HD2 HIS A 56 11.695 8.755 6.844 1.00 1.06 H new ATOM 0 HE1 HIS A 56 9.478 5.159 7.187 1.00 1.11 H new ATOM 0 HE2 HIS A 56 10.322 7.209 8.430 1.00 1.33 H new ATOM 859 N LEU A 57 8.727 7.230 3.382 1.00 0.28 N ATOM 860 CA LEU A 57 7.553 6.500 2.975 1.00 0.25 C ATOM 861 C LEU A 57 6.389 7.373 3.331 1.00 0.23 C ATOM 862 O LEU A 57 6.031 7.473 4.487 1.00 0.29 O ATOM 863 CB LEU A 57 7.526 5.148 3.749 1.00 0.38 C ATOM 864 CG LEU A 57 6.288 4.229 3.768 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.060 4.810 3.087 1.00 1.11 C ATOM 866 CD2 LEU A 57 6.650 2.878 3.196 1.00 1.10 C ATOM 0 H LEU A 57 8.656 7.624 4.320 1.00 0.28 H new ATOM 0 HA LEU A 57 7.532 6.268 1.910 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.352 4.551 3.362 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.759 5.379 4.788 1.00 0.38 H new ATOM 0 HG LEU A 57 5.996 4.124 4.813 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.238 4.096 3.148 1.00 1.11 H new ATOM 0 HD12 LEU A 57 4.773 5.737 3.583 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.287 5.014 2.040 1.00 1.11 H new ATOM 0 HD21 LEU A 57 5.774 2.230 3.210 1.00 1.10 H new ATOM 0 HD22 LEU A 57 6.995 2.998 2.169 1.00 1.10 H new ATOM 0 HD23 LEU A 57 7.442 2.430 3.795 1.00 1.10 H new ATOM 878 N GLN A 58 5.794 7.986 2.348 1.00 0.20 N ATOM 879 CA GLN A 58 4.583 8.678 2.575 1.00 0.21 C ATOM 880 C GLN A 58 3.490 7.760 2.123 1.00 0.18 C ATOM 881 O GLN A 58 3.365 7.440 0.944 1.00 0.19 O ATOM 882 CB GLN A 58 4.485 10.016 1.813 1.00 0.27 C ATOM 883 CG GLN A 58 5.679 10.394 0.935 1.00 0.46 C ATOM 884 CD GLN A 58 6.921 10.716 1.730 1.00 0.32 C ATOM 885 OE1 GLN A 58 7.053 11.818 2.259 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.895 9.815 1.716 1.00 0.28 N ATOM 0 H GLN A 58 6.136 8.014 1.388 1.00 0.20 H new ATOM 0 HA GLN A 58 4.513 8.938 3.631 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.596 9.985 1.183 1.00 0.27 H new ATOM 0 HB3 GLN A 58 4.332 10.812 2.541 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.895 9.572 0.252 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.413 11.256 0.323 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.747 8.911 1.267 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.791 10.026 2.154 1.00 0.28 H new ATOM 895 N LEU A 59 2.716 7.350 3.066 1.00 0.20 N ATOM 896 CA LEU A 59 1.528 6.596 2.801 1.00 0.20 C ATOM 897 C LEU A 59 0.409 7.614 2.819 1.00 0.21 C ATOM 898 O LEU A 59 -0.120 7.974 3.867 1.00 0.23 O ATOM 899 CB LEU A 59 1.331 5.498 3.876 1.00 0.23 C ATOM 900 CG LEU A 59 0.303 4.393 3.613 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.008 3.731 4.939 1.00 0.26 C ATOM 902 CD2 LEU A 59 -0.954 4.909 2.945 1.00 0.23 C ATOM 0 H LEU A 59 2.886 7.527 4.056 1.00 0.20 H new ATOM 0 HA LEU A 59 1.568 6.070 1.847 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.296 5.020 4.042 1.00 0.23 H new ATOM 0 HB3 LEU A 59 1.055 5.992 4.808 1.00 0.23 H new ATOM 0 HG LEU A 59 0.714 3.670 2.908 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.723 2.935 4.794 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.927 3.310 5.348 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.393 4.470 5.633 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.646 4.082 2.783 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.425 5.657 3.584 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.698 5.360 1.986 1.00 0.23 H new ATOM 914 N HIS A 60 0.115 8.117 1.648 1.00 0.22 N ATOM 915 CA HIS A 60 -0.891 9.094 1.459 1.00 0.25 C ATOM 916 C HIS A 60 -2.177 8.449 1.111 1.00 0.24 C ATOM 917 O HIS A 60 -2.258 7.293 0.715 1.00 0.26 O ATOM 918 CB HIS A 60 -0.531 10.112 0.384 1.00 0.37 C ATOM 919 CG HIS A 60 0.059 11.381 0.922 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.516 12.617 0.718 1.00 1.48 N ATOM 921 CD2 HIS A 60 1.183 11.607 1.639 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.227 13.544 1.287 1.00 1.91 C ATOM 923 NE2 HIS A 60 1.263 12.961 1.854 1.00 2.03 N ATOM 0 H HIS A 60 0.588 7.843 0.787 1.00 0.22 H new ATOM 0 HA HIS A 60 -0.983 9.630 2.404 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.178 9.659 -0.309 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.427 10.353 -0.188 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.887 10.862 1.979 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.021 14.604 1.288 1.00 1.91 H new ATOM 0 HE2 HIS A 60 2.004 13.437 2.369 1.00 2.03 H new ATOM 932 N ASP A 61 -3.149 9.241 1.273 1.00 0.29 N ATOM 933 CA ASP A 61 -4.502 8.889 1.069 1.00 0.32 C ATOM 934 C ASP A 61 -5.130 9.891 0.153 1.00 0.35 C ATOM 935 O ASP A 61 -5.126 11.099 0.381 1.00 0.48 O ATOM 936 CB ASP A 61 -5.275 8.815 2.368 1.00 0.44 C ATOM 937 CG ASP A 61 -5.348 10.127 3.140 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.401 10.433 3.902 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.339 10.870 2.974 1.00 0.92 O ATOM 0 H ASP A 61 -3.026 10.210 1.568 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.533 7.895 0.623 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.289 8.479 2.153 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -4.817 8.059 3.005 1.00 0.44 H new ATOM 944 N SER A 62 -5.562 9.366 -0.923 1.00 0.29 N ATOM 945 CA SER A 62 -6.419 10.070 -1.836 1.00 0.32 C ATOM 946 C SER A 62 -7.808 9.547 -1.608 1.00 0.32 C ATOM 947 O SER A 62 -7.997 8.353 -1.409 1.00 0.41 O ATOM 948 CB SER A 62 -5.998 9.856 -3.280 1.00 0.40 C ATOM 949 OG SER A 62 -4.585 9.825 -3.399 1.00 0.47 O ATOM 0 H SER A 62 -5.335 8.416 -1.216 1.00 0.29 H new ATOM 0 HA SER A 62 -6.363 11.144 -1.657 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.418 8.921 -3.650 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.401 10.655 -3.902 1.00 0.40 H new ATOM 0 HG SER A 62 -4.248 8.964 -3.074 1.00 0.47 H new ATOM 955 N TYR A 63 -8.770 10.414 -1.612 1.00 0.38 N ATOM 956 CA TYR A 63 -10.067 10.051 -1.127 1.00 0.45 C ATOM 957 C TYR A 63 -11.162 10.731 -1.883 1.00 0.47 C ATOM 958 O TYR A 63 -11.451 11.911 -1.691 1.00 0.54 O ATOM 959 CB TYR A 63 -10.127 10.327 0.368 1.00 0.64 C ATOM 960 CG TYR A 63 -11.504 10.535 0.967 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.368 9.460 1.135 1.00 0.84 C ATOM 962 CD2 TYR A 63 -11.949 11.795 1.336 1.00 0.87 C ATOM 963 CE1 TYR A 63 -13.632 9.633 1.660 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.216 11.978 1.859 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.004 10.941 2.113 1.00 1.07 C ATOM 966 OH TYR A 63 -15.315 11.064 2.538 1.00 1.39 O ATOM 0 H TYR A 63 -8.685 11.375 -1.944 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.227 8.986 -1.292 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -9.652 9.494 0.887 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.528 11.214 0.575 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.044 8.470 0.849 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.296 12.647 1.213 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.322 8.805 1.728 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -13.569 12.978 2.063 1.00 1.06 H new ATOM 0 HH TYR A 63 -15.480 11.985 2.829 1.00 1.39 H new ATOM 976 N ASP A 64 -11.717 9.994 -2.805 1.00 0.47 N ATOM 977 CA ASP A 64 -12.936 10.414 -3.435 1.00 0.57 C ATOM 978 C ASP A 64 -14.008 9.401 -3.193 1.00 0.57 C ATOM 979 O ASP A 64 -13.903 8.234 -3.571 1.00 0.63 O ATOM 980 CB ASP A 64 -12.795 10.667 -4.903 1.00 0.71 C ATOM 981 CG ASP A 64 -13.860 11.619 -5.392 1.00 1.53 C ATOM 982 OD1 ASP A 64 -14.991 11.169 -5.649 1.00 2.42 O ATOM 983 OD2 ASP A 64 -13.569 12.826 -5.508 1.00 2.00 O ATOM 0 H ASP A 64 -11.346 9.103 -3.135 1.00 0.47 H new ATOM 0 HA ASP A 64 -13.206 11.368 -2.982 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.808 11.081 -5.111 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.867 9.725 -5.447 1.00 0.71 H new ATOM 988 N ARG A 65 -15.030 9.870 -2.582 1.00 0.60 N ATOM 989 CA ARG A 65 -16.140 9.041 -2.182 1.00 0.64 C ATOM 990 C ARG A 65 -17.095 8.801 -3.340 1.00 0.74 C ATOM 991 O ARG A 65 -17.617 7.701 -3.526 1.00 0.88 O ATOM 992 CB ARG A 65 -16.863 9.703 -1.017 1.00 0.74 C ATOM 993 CG ARG A 65 -16.978 8.782 0.161 1.00 0.86 C ATOM 994 CD ARG A 65 -17.727 7.535 -0.243 1.00 1.00 C ATOM 995 NE ARG A 65 -19.164 7.768 -0.349 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.090 7.017 0.239 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.738 6.000 1.024 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.372 7.295 0.053 1.00 2.07 N ATOM 0 H ARG A 65 -15.136 10.854 -2.334 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.759 8.069 -1.869 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.328 10.606 -0.722 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.858 10.013 -1.335 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -15.986 8.520 0.529 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.498 9.283 0.978 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.346 7.178 -1.200 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.541 6.748 0.488 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.478 8.559 -0.911 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.751 5.792 1.178 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.455 5.429 1.471 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.643 8.081 -0.538 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.088 6.723 0.501 1.00 2.07 H new ATOM 1012 N ALA A 66 -17.285 9.838 -4.116 1.00 0.80 N ATOM 1013 CA ALA A 66 -18.185 9.810 -5.259 1.00 0.93 C ATOM 1014 C ALA A 66 -17.578 9.036 -6.420 1.00 0.83 C ATOM 1015 O ALA A 66 -18.289 8.433 -7.224 1.00 0.92 O ATOM 1016 CB ALA A 66 -18.534 11.225 -5.690 1.00 1.15 C ATOM 0 H ALA A 66 -16.820 10.735 -3.978 1.00 0.80 H new ATOM 0 HA ALA A 66 -19.098 9.298 -4.956 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -19.208 11.189 -6.546 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -19.021 11.746 -4.866 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -17.623 11.756 -5.967 1.00 1.15 H new ATOM 1022 N SER A 67 -16.259 9.029 -6.477 1.00 0.72 N ATOM 1023 CA SER A 67 -15.538 8.308 -7.507 1.00 0.72 C ATOM 1024 C SER A 67 -15.303 6.910 -7.005 1.00 0.58 C ATOM 1025 O SER A 67 -14.924 6.011 -7.757 1.00 0.63 O ATOM 1026 CB SER A 67 -14.216 9.004 -7.837 1.00 0.83 C ATOM 1027 OG SER A 67 -14.435 10.356 -8.208 1.00 1.41 O ATOM 0 H SER A 67 -15.661 9.521 -5.813 1.00 0.72 H new ATOM 0 HA SER A 67 -16.119 8.283 -8.429 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.553 8.963 -6.973 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.715 8.476 -8.649 1.00 0.83 H new ATOM 0 HG SER A 67 -14.803 10.849 -7.445 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.537 6.765 -5.701 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.553 5.484 -5.042 1.00 0.50 C ATOM 1035 C LYS A 68 -14.148 4.939 -4.910 1.00 0.44 C ATOM 1036 O LYS A 68 -13.951 3.737 -4.809 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.419 4.517 -5.835 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.928 3.341 -5.030 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.368 3.552 -4.612 1.00 1.38 C ATOM 1040 CE LYS A 68 -18.489 4.618 -3.534 1.00 2.27 C ATOM 1041 NZ LYS A 68 -19.865 5.167 -3.468 1.00 3.31 N ATOM 0 H LYS A 68 -15.721 7.550 -5.076 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.969 5.604 -4.042 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.271 5.060 -6.243 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.844 4.142 -6.682 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.847 2.429 -5.621 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.305 3.204 -4.146 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.960 3.843 -5.480 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.782 2.613 -4.244 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -18.219 4.193 -2.568 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.783 5.424 -3.736 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -19.914 5.891 -2.723 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -20.113 5.594 -4.383 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -20.534 4.401 -3.251 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.166 5.819 -4.886 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.792 5.375 -4.832 1.00 0.31 C ATOM 1057 C VAL A 69 -11.025 6.146 -3.796 1.00 0.29 C ATOM 1058 O VAL A 69 -10.916 7.374 -3.845 1.00 0.35 O ATOM 1059 CB VAL A 69 -11.037 5.537 -6.160 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.761 4.703 -6.157 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.906 5.181 -7.355 1.00 0.43 C ATOM 0 H VAL A 69 -13.293 6.831 -4.903 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.851 4.314 -4.589 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.769 6.589 -6.255 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.240 4.831 -7.106 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.115 5.029 -5.342 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -10.014 3.652 -6.021 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.333 5.310 -8.273 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.231 4.144 -7.272 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.779 5.834 -7.378 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.501 5.412 -2.860 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.519 5.931 -1.963 1.00 0.25 C ATOM 1073 C TYR A 70 -8.197 5.389 -2.425 1.00 0.22 C ATOM 1074 O TYR A 70 -7.901 4.202 -2.277 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.733 5.533 -0.513 1.00 0.31 C ATOM 1076 CG TYR A 70 -11.159 5.648 -0.009 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.078 6.448 -0.676 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -11.592 4.955 1.114 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.384 6.551 -0.235 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -12.891 5.053 1.560 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.765 5.868 0.941 1.00 0.76 C ATOM 1082 OH TYR A 70 -15.085 5.948 1.329 1.00 0.93 O ATOM 0 H TYR A 70 -10.745 4.435 -2.699 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.576 7.019 -1.984 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.403 4.502 -0.385 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -9.093 6.153 0.114 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.768 6.998 -1.552 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -10.895 4.326 1.649 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.102 7.145 -0.781 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -13.211 4.472 2.412 1.00 1.24 H new ATOM 0 HH TYR A 70 -15.216 5.433 2.153 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.437 6.249 -3.020 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.157 5.880 -3.551 1.00 0.19 C ATOM 1094 C LEU A 71 -5.101 6.230 -2.551 1.00 0.20 C ATOM 1095 O LEU A 71 -4.714 7.377 -2.378 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.871 6.559 -4.898 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.387 6.612 -5.313 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.748 5.228 -5.292 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.239 7.233 -6.690 1.00 0.52 C ATOM 0 H LEU A 71 -7.682 7.230 -3.154 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.157 4.806 -3.737 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.429 6.036 -5.675 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.256 7.578 -4.860 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.867 7.234 -4.585 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.702 5.305 -5.590 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -3.809 4.814 -4.285 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.275 4.573 -5.986 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.185 7.261 -6.965 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.788 6.637 -7.419 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.638 8.247 -6.676 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.630 5.224 -1.914 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.549 5.363 -1.014 1.00 0.21 C ATOM 1113 C PHE A 72 -2.278 5.285 -1.817 1.00 0.23 C ATOM 1114 O PHE A 72 -1.955 4.270 -2.437 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.591 4.286 0.045 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.779 4.356 0.955 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.958 3.702 0.634 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.710 5.066 2.141 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.047 3.758 1.479 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.797 5.128 2.990 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.966 4.471 2.659 1.00 0.30 C ATOM 0 H PHE A 72 -4.987 4.273 -2.003 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.606 6.319 -0.494 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.581 3.312 -0.444 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.684 4.350 0.646 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.025 3.143 -0.287 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.796 5.577 2.405 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.961 3.245 1.218 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.733 5.689 3.911 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.817 4.515 3.323 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.593 6.378 -1.812 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.376 6.524 -2.571 1.00 0.26 C ATOM 1133 C GLU A 73 0.791 6.405 -1.661 1.00 0.20 C ATOM 1134 O GLU A 73 0.916 7.118 -0.667 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.230 7.862 -3.271 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.185 8.121 -4.417 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.712 9.289 -5.263 1.00 0.75 C ATOM 1138 OE1 GLU A 73 0.348 9.157 -5.920 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -1.366 10.348 -5.249 1.00 1.32 O ATOM 0 H GLU A 73 -1.855 7.208 -1.280 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.419 5.741 -3.328 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.359 8.652 -2.531 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.789 7.942 -3.649 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.267 7.228 -5.036 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.181 8.330 -4.026 1.00 0.59 H new ATOM 1146 N LEU A 74 1.642 5.528 -2.025 1.00 0.21 N ATOM 1147 CA LEU A 74 2.887 5.384 -1.372 1.00 0.21 C ATOM 1148 C LEU A 74 3.890 6.156 -2.138 1.00 0.20 C ATOM 1149 O LEU A 74 4.082 5.958 -3.338 1.00 0.25 O ATOM 1150 CB LEU A 74 3.353 3.948 -1.314 1.00 0.27 C ATOM 1151 CG LEU A 74 2.599 3.082 -0.332 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.777 3.649 1.051 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.132 3.022 -0.692 1.00 0.96 C ATOM 0 H LEU A 74 1.494 4.878 -2.797 1.00 0.21 H new ATOM 0 HA LEU A 74 2.772 5.739 -0.348 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.263 3.510 -2.308 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.411 3.933 -1.054 1.00 0.27 H new ATOM 0 HG LEU A 74 2.993 2.066 -0.366 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.237 3.032 1.769 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.837 3.660 1.306 1.00 0.85 H new ATOM 0 HD13 LEU A 74 2.386 4.666 1.080 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.606 2.394 0.027 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.711 4.027 -0.672 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.020 2.602 -1.691 1.00 0.96 H new ATOM 1165 N HIS A 75 4.534 7.006 -1.450 1.00 0.18 N ATOM 1166 CA HIS A 75 5.635 7.698 -2.031 1.00 0.19 C ATOM 1167 C HIS A 75 6.782 7.334 -1.162 1.00 0.19 C ATOM 1168 O HIS A 75 7.000 7.898 -0.093 1.00 0.19 O ATOM 1169 CB HIS A 75 5.407 9.219 -2.101 1.00 0.23 C ATOM 1170 CG HIS A 75 4.224 9.627 -2.938 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.404 10.691 -2.622 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.732 9.114 -4.096 1.00 1.15 C ATOM 1173 CE1 HIS A 75 2.463 10.809 -3.543 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.638 9.867 -4.448 1.00 0.94 N ATOM 0 H HIS A 75 4.328 7.249 -0.481 1.00 0.18 H new ATOM 0 HA HIS A 75 5.798 7.416 -3.071 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.272 9.602 -1.089 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.303 9.691 -2.503 1.00 0.23 H new ATOM 0 HD2 HIS A 75 4.128 8.269 -4.640 1.00 1.15 H new ATOM 0 HE1 HIS A 75 1.681 11.554 -3.552 1.00 0.88 H new ATOM 0 HE2 HIS A 75 2.057 9.721 -5.274 1.00 0.94 H new ATOM 1183 N ILE A 76 7.486 6.343 -1.610 1.00 0.21 N ATOM 1184 CA ILE A 76 8.491 5.746 -0.809 1.00 0.23 C ATOM 1185 C ILE A 76 9.801 5.871 -1.507 1.00 0.25 C ATOM 1186 O ILE A 76 10.122 5.170 -2.444 1.00 0.28 O ATOM 1187 CB ILE A 76 8.150 4.294 -0.545 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.757 4.201 0.056 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.182 3.649 0.370 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.224 2.792 0.073 1.00 0.52 C ATOM 0 H ILE A 76 7.377 5.931 -2.537 1.00 0.21 H new ATOM 0 HA ILE A 76 8.553 6.254 0.154 1.00 0.23 H new ATOM 0 HB ILE A 76 8.166 3.750 -1.489 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.778 4.589 1.074 1.00 0.29 H new ATOM 0 HG13 ILE A 76 6.077 4.835 -0.513 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.914 2.607 0.544 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.165 3.697 -0.099 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.207 4.180 1.321 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.227 2.786 0.513 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.174 2.410 -0.947 1.00 0.52 H new ATOM 0 HD13 ILE A 76 6.886 2.160 0.665 1.00 0.52 H new ATOM 1202 N THR A 77 10.530 6.792 -1.038 1.00 0.24 N ATOM 1203 CA THR A 77 11.716 7.195 -1.644 1.00 0.26 C ATOM 1204 C THR A 77 12.864 6.869 -0.768 1.00 0.36 C ATOM 1205 O THR A 77 12.808 6.958 0.461 1.00 0.58 O ATOM 1206 CB THR A 77 11.694 8.682 -1.941 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.564 9.430 -0.727 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.531 8.991 -2.843 1.00 0.37 C ATOM 0 H THR A 77 10.306 7.306 -0.186 1.00 0.24 H new ATOM 0 HA THR A 77 11.820 6.660 -2.588 1.00 0.26 H new ATOM 0 HB THR A 77 12.628 8.960 -2.429 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.553 10.388 -0.933 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.512 10.059 -3.059 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.635 8.434 -3.774 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.602 8.704 -2.350 1.00 0.37 H new ATOM 1216 N ASP A 78 13.869 6.467 -1.450 1.00 0.30 N ATOM 1217 CA ASP A 78 15.123 6.095 -0.878 1.00 0.45 C ATOM 1218 C ASP A 78 14.943 4.930 0.057 1.00 0.45 C ATOM 1219 O ASP A 78 15.017 5.037 1.281 1.00 0.70 O ATOM 1220 CB ASP A 78 15.730 7.229 -0.143 1.00 0.61 C ATOM 1221 CG ASP A 78 16.036 8.440 -1.004 1.00 1.44 C ATOM 1222 OD1 ASP A 78 15.142 9.293 -1.169 1.00 2.12 O ATOM 1223 OD2 ASP A 78 17.160 8.531 -1.543 1.00 1.97 O ATOM 0 H ASP A 78 13.848 6.382 -2.466 1.00 0.30 H new ATOM 0 HA ASP A 78 15.790 5.809 -1.691 1.00 0.45 H new ATOM 0 HB2 ASP A 78 15.056 7.529 0.659 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.653 6.890 0.327 1.00 0.61 H new ATOM 1228 N ALA A 79 14.676 3.834 -0.568 1.00 0.37 N ATOM 1229 CA ALA A 79 14.425 2.582 0.097 1.00 0.34 C ATOM 1230 C ALA A 79 15.644 2.141 0.874 1.00 0.38 C ATOM 1231 O ALA A 79 16.748 2.089 0.334 1.00 0.40 O ATOM 1232 CB ALA A 79 14.042 1.533 -0.929 1.00 0.34 C ATOM 0 H ALA A 79 14.623 3.773 -1.585 1.00 0.37 H new ATOM 0 HA ALA A 79 13.603 2.711 0.801 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.852 0.585 -0.426 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.143 1.851 -1.456 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.856 1.408 -1.643 1.00 0.34 H new ATOM 1238 N GLN A 80 15.433 1.860 2.146 1.00 0.47 N ATOM 1239 CA GLN A 80 16.466 1.286 2.986 1.00 0.55 C ATOM 1240 C GLN A 80 16.977 0.001 2.351 1.00 0.43 C ATOM 1241 O GLN A 80 16.197 -0.765 1.809 1.00 0.43 O ATOM 1242 CB GLN A 80 15.888 0.996 4.379 1.00 0.74 C ATOM 1243 CG GLN A 80 16.717 0.030 5.208 1.00 0.78 C ATOM 1244 CD GLN A 80 17.683 0.717 6.167 1.00 1.06 C ATOM 1245 OE1 GLN A 80 17.995 0.183 7.235 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.164 1.898 5.808 1.00 1.43 N ATOM 0 H GLN A 80 14.546 2.022 2.623 1.00 0.47 H new ATOM 0 HA GLN A 80 17.295 1.987 3.085 1.00 0.55 H new ATOM 0 HB2 GLN A 80 15.793 1.935 4.923 1.00 0.74 H new ATOM 0 HB3 GLN A 80 14.883 0.590 4.266 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.047 -0.612 5.780 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.283 -0.617 4.538 1.00 0.78 H new ATOM 0 HE21 GLN A 80 17.886 2.313 4.918 1.00 1.43 H new ATOM 0 HE22 GLN A 80 18.812 2.393 6.421 1.00 1.43 H new ATOM 1255 N PRO A 81 18.285 -0.251 2.380 1.00 0.42 N ATOM 1256 CA PRO A 81 18.828 -1.500 1.863 1.00 0.44 C ATOM 1257 C PRO A 81 18.400 -2.680 2.731 1.00 0.54 C ATOM 1258 O PRO A 81 18.267 -2.541 3.949 1.00 1.33 O ATOM 1259 CB PRO A 81 20.344 -1.298 1.925 1.00 0.50 C ATOM 1260 CG PRO A 81 20.555 -0.231 2.945 1.00 0.57 C ATOM 1261 CD PRO A 81 19.329 0.643 2.906 1.00 0.49 C ATOM 0 HA PRO A 81 18.476 -1.726 0.856 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.853 -2.219 2.208 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.741 -1.000 0.955 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.693 -0.663 3.936 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.452 0.347 2.722 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.073 1.020 3.896 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.475 1.511 2.263 1.00 0.49 H new ATOM 1269 N ALA A 82 18.173 -3.826 2.089 1.00 0.81 N ATOM 1270 CA ALA A 82 17.659 -5.022 2.759 1.00 0.88 C ATOM 1271 C ALA A 82 16.227 -4.800 3.239 1.00 0.77 C ATOM 1272 O ALA A 82 15.716 -5.547 4.074 1.00 0.91 O ATOM 1273 CB ALA A 82 18.559 -5.439 3.918 1.00 1.12 C ATOM 0 H ALA A 82 18.340 -3.952 1.091 1.00 0.81 H new ATOM 0 HA ALA A 82 17.655 -5.834 2.032 1.00 0.88 H new ATOM 0 HB1 ALA A 82 18.150 -6.330 4.394 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.559 -5.655 3.542 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.612 -4.630 4.647 1.00 1.12 H new ATOM 1279 N PHE A 83 15.580 -3.775 2.690 1.00 0.64 N ATOM 1280 CA PHE A 83 14.195 -3.488 3.017 1.00 0.68 C ATOM 1281 C PHE A 83 13.298 -4.545 2.411 1.00 0.76 C ATOM 1282 O PHE A 83 12.268 -4.875 2.999 1.00 1.24 O ATOM 1283 CB PHE A 83 13.780 -2.112 2.467 1.00 0.74 C ATOM 1284 CG PHE A 83 13.139 -1.139 3.439 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.018 -1.499 4.783 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.655 0.113 3.045 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.431 -0.641 5.694 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.072 0.962 3.961 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.967 0.703 5.165 1.00 0.88 C ATOM 0 H PHE A 83 15.997 -3.132 2.017 1.00 0.64 H new ATOM 0 HA PHE A 83 14.094 -3.486 4.102 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.666 -1.635 2.047 1.00 0.74 H new ATOM 0 HB3 PHE A 83 13.085 -2.274 1.643 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.387 -2.458 5.114 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.739 0.418 2.012 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.309 -0.914 6.732 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.685 1.906 3.607 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.545 1.433 5.840 1.00 0.88 H new ATOM 1299 N THR A 84 13.758 -5.092 1.262 1.00 0.55 N ATOM 1300 CA THR A 84 12.977 -5.931 0.376 1.00 0.58 C ATOM 1301 C THR A 84 11.504 -5.831 0.705 1.00 0.80 C ATOM 1302 O THR A 84 10.922 -6.661 1.401 1.00 1.22 O ATOM 1303 CB THR A 84 13.488 -7.357 0.399 1.00 0.97 C ATOM 1304 OG1 THR A 84 14.893 -7.357 0.100 1.00 1.10 O ATOM 1305 CG2 THR A 84 12.743 -8.221 -0.611 1.00 1.17 C ATOM 0 H THR A 84 14.712 -4.947 0.933 1.00 0.55 H new ATOM 0 HA THR A 84 13.095 -5.572 -0.647 1.00 0.58 H new ATOM 0 HB THR A 84 13.318 -7.776 1.391 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.231 -8.277 0.115 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.129 -9.239 -0.574 1.00 1.17 H new ATOM 0 HG22 THR A 84 11.680 -8.227 -0.370 1.00 1.17 H new ATOM 0 HG23 THR A 84 12.886 -7.815 -1.612 1.00 1.17 H new ATOM 1313 N GLY A 85 10.956 -4.750 0.211 1.00 0.87 N ATOM 1314 CA GLY A 85 9.716 -4.230 0.676 1.00 1.43 C ATOM 1315 C GLY A 85 8.564 -5.132 0.440 1.00 0.96 C ATOM 1316 O GLY A 85 7.950 -5.113 -0.609 1.00 1.29 O ATOM 0 H GLY A 85 11.376 -4.203 -0.541 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.795 -4.028 1.744 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.525 -3.276 0.185 1.00 1.43 H new ATOM 1320 N GLY A 86 8.271 -5.891 1.438 1.00 0.52 N ATOM 1321 CA GLY A 86 7.085 -6.682 1.432 1.00 0.52 C ATOM 1322 C GLY A 86 5.950 -5.878 1.989 1.00 0.40 C ATOM 1323 O GLY A 86 5.522 -6.054 3.124 1.00 0.43 O ATOM 0 H GLY A 86 8.842 -5.983 2.278 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.854 -7.004 0.416 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.233 -7.584 2.026 1.00 0.52 H new ATOM 1327 N TYR A 87 5.556 -4.915 1.204 1.00 0.34 N ATOM 1328 CA TYR A 87 4.413 -4.092 1.508 1.00 0.28 C ATOM 1329 C TYR A 87 3.142 -4.902 1.255 1.00 0.30 C ATOM 1330 O TYR A 87 2.922 -5.381 0.137 1.00 0.39 O ATOM 1331 CB TYR A 87 4.445 -2.854 0.624 1.00 0.35 C ATOM 1332 CG TYR A 87 5.644 -1.970 0.869 1.00 0.39 C ATOM 1333 CD1 TYR A 87 6.904 -2.306 0.380 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.513 -0.793 1.578 1.00 0.47 C ATOM 1335 CE1 TYR A 87 7.996 -1.489 0.599 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.600 0.024 1.800 1.00 0.54 C ATOM 1337 CZ TYR A 87 7.838 -0.326 1.311 1.00 0.54 C ATOM 1338 OH TYR A 87 8.921 0.486 1.548 1.00 0.63 O ATOM 0 H TYR A 87 6.020 -4.675 0.328 1.00 0.34 H new ATOM 0 HA TYR A 87 4.432 -3.779 2.552 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.439 -3.163 -0.421 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.537 -2.275 0.790 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.029 -3.221 -0.180 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.545 -0.509 1.964 1.00 0.47 H new ATOM 0 HE1 TYR A 87 8.967 -1.763 0.213 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.480 0.941 2.359 1.00 0.54 H new ATOM 0 HH TYR A 87 9.563 0.397 0.813 1.00 0.63 H new ATOM 1348 N ARG A 88 2.317 -5.083 2.276 1.00 0.33 N ATOM 1349 CA ARG A 88 1.135 -5.908 2.142 1.00 0.36 C ATOM 1350 C ARG A 88 -0.100 -5.083 2.426 1.00 0.36 C ATOM 1351 O ARG A 88 -0.327 -4.655 3.554 1.00 0.60 O ATOM 1352 CB ARG A 88 1.199 -7.109 3.090 1.00 0.42 C ATOM 1353 CG ARG A 88 2.338 -8.065 2.781 1.00 1.09 C ATOM 1354 CD ARG A 88 2.392 -9.204 3.785 1.00 1.23 C ATOM 1355 NE ARG A 88 3.399 -10.197 3.425 1.00 1.73 N ATOM 1356 CZ ARG A 88 4.055 -10.950 4.303 1.00 2.17 C ATOM 1357 NH1 ARG A 88 3.802 -10.836 5.601 1.00 2.11 N ATOM 1358 NH2 ARG A 88 4.957 -11.824 3.876 1.00 3.15 N ATOM 0 H ARG A 88 2.447 -4.670 3.200 1.00 0.33 H new ATOM 0 HA ARG A 88 1.088 -6.284 1.120 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.305 -6.749 4.113 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.255 -7.652 3.040 1.00 0.42 H new ATOM 0 HG2 ARG A 88 2.214 -8.469 1.776 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.284 -7.523 2.792 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.612 -8.805 4.775 1.00 1.23 H new ATOM 0 HD3 ARG A 88 1.415 -9.683 3.844 1.00 1.23 H new ATOM 0 HE ARG A 88 3.614 -10.322 2.436 1.00 1.73 H new ATOM 0 HH11 ARG A 88 3.103 -10.169 5.928 1.00 2.11 H new ATOM 0 HH12 ARG A 88 4.307 -11.415 6.272 1.00 2.11 H new ATOM 0 HH21 ARG A 88 5.145 -11.916 2.878 1.00 3.15 H new ATOM 0 HH22 ARG A 88 5.463 -12.404 4.546 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.881 -4.835 1.406 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.071 -4.041 1.574 1.00 0.27 C ATOM 1374 C CYS A 89 -3.254 -4.947 1.797 1.00 0.25 C ATOM 1375 O CYS A 89 -3.544 -5.823 0.986 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.307 -3.159 0.364 1.00 0.39 C ATOM 1377 SG CYS A 89 -3.114 -1.594 0.749 1.00 1.08 S ATOM 0 H CYS A 89 -0.716 -5.169 0.456 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.941 -3.395 2.442 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.350 -2.955 -0.117 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.917 -3.703 -0.357 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.225 -0.647 0.794 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.910 -4.738 2.907 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.024 -5.572 3.307 1.00 0.28 C ATOM 1385 C GLU A 90 -6.242 -4.705 3.604 1.00 0.26 C ATOM 1386 O GLU A 90 -6.255 -3.950 4.578 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.641 -6.380 4.552 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.428 -7.280 4.366 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.824 -7.716 5.690 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.384 -8.633 6.331 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -1.772 -7.166 6.083 1.00 1.81 O ATOM 0 H GLU A 90 -3.692 -3.987 3.562 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.268 -6.258 2.496 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.444 -5.690 5.372 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.492 -6.993 4.849 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -3.717 -8.161 3.793 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.674 -6.753 3.781 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.256 -4.790 2.764 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.471 -4.022 2.986 1.00 0.22 C ATOM 1400 C VAL A 91 -9.607 -4.931 3.426 1.00 0.22 C ATOM 1401 O VAL A 91 -9.774 -6.046 2.919 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.887 -3.193 1.751 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.930 -4.059 0.501 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.223 -2.489 1.989 1.00 0.51 C ATOM 0 H VAL A 91 -7.266 -5.376 1.929 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.253 -3.312 3.784 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.132 -2.423 1.592 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.226 -3.450 -0.353 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.943 -4.485 0.319 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.652 -4.864 0.640 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.493 -1.912 1.104 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.995 -3.232 2.188 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -10.134 -1.820 2.845 1.00 0.51 H new ATOM 1414 N SER A 92 -10.376 -4.434 4.372 1.00 0.22 N ATOM 1415 CA SER A 92 -11.439 -5.201 4.986 1.00 0.25 C ATOM 1416 C SER A 92 -12.714 -4.371 5.060 1.00 0.26 C ATOM 1417 O SER A 92 -12.788 -3.370 5.779 1.00 0.30 O ATOM 1418 CB SER A 92 -11.014 -5.666 6.386 1.00 0.32 C ATOM 1419 OG SER A 92 -11.964 -6.561 6.953 1.00 1.18 O ATOM 0 H SER A 92 -10.282 -3.486 4.737 1.00 0.22 H new ATOM 0 HA SER A 92 -11.638 -6.081 4.374 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.042 -6.156 6.328 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.896 -4.800 7.037 1.00 0.32 H new ATOM 0 HG SER A 92 -11.661 -6.838 7.843 1.00 1.18 H new ATOM 1425 N THR A 93 -13.689 -4.770 4.270 1.00 0.28 N ATOM 1426 CA THR A 93 -14.991 -4.152 4.251 1.00 0.35 C ATOM 1427 C THR A 93 -16.069 -5.146 4.598 1.00 0.39 C ATOM 1428 O THR A 93 -15.762 -6.311 4.820 1.00 0.59 O ATOM 1429 CB THR A 93 -15.273 -3.634 2.869 1.00 0.42 C ATOM 1430 OG1 THR A 93 -15.056 -4.661 1.906 1.00 0.74 O ATOM 1431 CG2 THR A 93 -14.390 -2.461 2.603 1.00 0.57 C ATOM 0 H THR A 93 -13.594 -5.545 3.614 1.00 0.28 H new ATOM 0 HA THR A 93 -14.991 -3.346 4.984 1.00 0.35 H new ATOM 0 HB THR A 93 -16.315 -3.321 2.796 1.00 0.42 H new ATOM 0 HG1 THR A 93 -14.291 -5.209 2.179 1.00 0.74 H new ATOM 0 HG21 THR A 93 -14.587 -2.077 1.602 1.00 0.57 H new ATOM 0 HG22 THR A 93 -14.591 -1.681 3.337 1.00 0.57 H new ATOM 0 HG23 THR A 93 -13.346 -2.767 2.676 1.00 0.57 H new ATOM 1439 N LYS A 94 -17.326 -4.663 4.526 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.547 -5.422 4.838 1.00 0.43 C ATOM 1441 C LYS A 94 -18.364 -6.905 4.649 1.00 0.42 C ATOM 1442 O LYS A 94 -18.754 -7.713 5.483 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.715 -4.963 3.951 1.00 0.45 C ATOM 1444 CG LYS A 94 -19.346 -4.226 2.658 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.609 -5.083 1.640 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.427 -6.281 1.194 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.815 -5.914 0.802 1.00 0.65 N ATOM 0 H LYS A 94 -17.522 -3.704 4.240 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.767 -5.227 5.888 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.307 -5.839 3.687 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -20.357 -4.311 4.543 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -20.257 -3.841 2.200 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.726 -3.365 2.908 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.357 -4.475 0.771 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.669 -5.428 2.071 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.931 -6.761 0.351 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.463 -7.012 2.001 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.383 -6.778 0.686 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -21.238 -5.318 1.541 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.795 -5.390 -0.096 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.748 -7.224 3.536 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.506 -8.600 3.149 1.00 0.40 C ATOM 1463 C ASP A 95 -16.623 -8.667 1.913 1.00 0.37 C ATOM 1464 O ASP A 95 -16.432 -9.732 1.331 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.820 -9.289 2.862 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.864 -10.706 3.406 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -19.235 -10.887 4.583 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -18.517 -11.645 2.666 1.00 1.05 O ATOM 0 H ASP A 95 -17.398 -6.537 2.868 1.00 0.36 H new ATOM 0 HA ASP A 95 -16.997 -9.102 3.972 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.633 -8.710 3.299 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -18.987 -9.311 1.785 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.095 -7.525 1.498 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.170 -7.515 0.387 1.00 0.29 C ATOM 1475 C LYS A 96 -13.799 -7.615 0.973 1.00 0.27 C ATOM 1476 O LYS A 96 -13.419 -6.835 1.849 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.265 -6.275 -0.524 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.579 -6.597 -1.964 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.357 -7.092 -2.719 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.623 -7.148 -4.213 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.522 -8.263 -4.591 1.00 1.29 N ATOM 0 H LYS A 96 -16.290 -6.612 1.908 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.418 -8.352 -0.266 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.035 -5.609 -0.135 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.321 -5.731 -0.481 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.361 -7.356 -2.003 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.973 -5.708 -2.456 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.512 -6.433 -2.521 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -14.080 -8.083 -2.359 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -15.065 -6.205 -4.535 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.676 -7.254 -4.743 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.459 -8.428 -5.616 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.238 -9.125 -4.084 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -16.501 -8.020 -4.339 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.093 -8.604 0.541 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.808 -8.892 1.111 1.00 0.29 C ATOM 1497 C PHE A 97 -10.768 -9.063 0.042 1.00 0.32 C ATOM 1498 O PHE A 97 -10.892 -9.903 -0.848 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.896 -10.128 1.970 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.804 -10.210 3.000 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.573 -10.765 2.683 1.00 0.65 C ATOM 1502 CD2 PHE A 97 -11.000 -9.711 4.279 1.00 0.62 C ATOM 1503 CE1 PHE A 97 -8.562 -10.827 3.621 1.00 0.77 C ATOM 1504 CE2 PHE A 97 -9.991 -9.767 5.221 1.00 0.75 C ATOM 1505 CZ PHE A 97 -8.769 -10.328 4.890 1.00 0.74 C ATOM 0 H PHE A 97 -13.380 -9.233 -0.209 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.507 -8.048 1.732 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.863 -10.146 2.472 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.852 -11.011 1.332 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -9.403 -11.154 1.690 1.00 0.65 H new ATOM 0 HD2 PHE A 97 -11.952 -9.274 4.542 1.00 0.62 H new ATOM 0 HE1 PHE A 97 -7.610 -11.266 3.361 1.00 0.77 H new ATOM 0 HE2 PHE A 97 -10.155 -9.374 6.214 1.00 0.75 H new ATOM 0 HZ PHE A 97 -7.979 -10.375 5.625 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.744 -8.259 0.160 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.649 -8.256 -0.794 1.00 0.43 C ATOM 1517 C ASP A 98 -7.347 -7.957 -0.082 1.00 0.36 C ATOM 1518 O ASP A 98 -7.313 -7.167 0.866 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.850 -7.205 -1.894 1.00 0.56 C ATOM 1520 CG ASP A 98 -9.979 -7.518 -2.857 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.783 -8.345 -3.772 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.084 -6.959 -2.688 1.00 1.60 O ATOM 0 H ASP A 98 -9.639 -7.585 0.918 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.621 -9.244 -1.254 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.044 -6.239 -1.427 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -7.923 -7.105 -2.459 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.285 -8.585 -0.537 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.958 -8.299 -0.032 1.00 0.30 C ATOM 1529 C CYS A 99 -3.959 -8.369 -1.166 1.00 0.32 C ATOM 1530 O CYS A 99 -4.104 -9.170 -2.091 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.561 -9.262 1.087 1.00 0.34 C ATOM 1532 SG CYS A 99 -4.758 -11.012 0.674 1.00 1.19 S ATOM 0 H CYS A 99 -6.315 -9.303 -1.261 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.962 -7.294 0.389 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -3.520 -9.080 1.354 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -5.160 -9.040 1.970 1.00 0.34 H new ATOM 0 HG CYS A 99 -4.393 -11.741 1.687 1.00 1.19 H new ATOM 1538 N SER A 100 -2.961 -7.519 -1.105 1.00 0.27 N ATOM 1539 CA SER A 100 -1.984 -7.433 -2.177 1.00 0.30 C ATOM 1540 C SER A 100 -0.558 -7.484 -1.641 1.00 0.31 C ATOM 1541 O SER A 100 -0.224 -6.818 -0.661 1.00 0.42 O ATOM 1542 CB SER A 100 -2.225 -6.154 -2.978 1.00 0.38 C ATOM 1543 OG SER A 100 -2.188 -5.009 -2.147 1.00 0.84 O ATOM 0 H SER A 100 -2.800 -6.877 -0.329 1.00 0.27 H new ATOM 0 HA SER A 100 -2.106 -8.296 -2.832 1.00 0.30 H new ATOM 0 HB2 SER A 100 -1.469 -6.064 -3.758 1.00 0.38 H new ATOM 0 HB3 SER A 100 -3.192 -6.212 -3.477 1.00 0.38 H new ATOM 0 HG SER A 100 -2.726 -4.295 -2.549 1.00 0.84 H new ATOM 1549 N ASN A 101 0.269 -8.302 -2.277 1.00 0.34 N ATOM 1550 CA ASN A 101 1.681 -8.390 -1.928 1.00 0.37 C ATOM 1551 C ASN A 101 2.540 -7.768 -3.026 1.00 0.42 C ATOM 1552 O ASN A 101 2.432 -8.125 -4.199 1.00 0.65 O ATOM 1553 CB ASN A 101 2.093 -9.852 -1.647 1.00 0.60 C ATOM 1554 CG ASN A 101 2.104 -10.791 -2.856 1.00 0.97 C ATOM 1555 OD1 ASN A 101 2.846 -11.774 -2.863 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.307 -10.517 -3.879 1.00 1.05 N ATOM 0 H ASN A 101 -0.014 -8.916 -3.040 1.00 0.34 H new ATOM 0 HA ASN A 101 1.846 -7.825 -1.011 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.089 -9.849 -1.205 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.414 -10.262 -0.899 1.00 0.60 H new ATOM 0 HD21 ASN A 101 1.299 -11.127 -4.697 1.00 1.05 H new ATOM 0 HD22 ASN A 101 0.702 -9.696 -3.849 1.00 1.05 H new ATOM 1563 N PHE A 102 3.355 -6.797 -2.653 1.00 0.31 N ATOM 1564 CA PHE A 102 4.178 -6.091 -3.617 1.00 0.38 C ATOM 1565 C PHE A 102 5.540 -5.813 -3.018 1.00 0.30 C ATOM 1566 O PHE A 102 5.659 -5.081 -2.035 1.00 0.37 O ATOM 1567 CB PHE A 102 3.494 -4.798 -4.094 1.00 0.57 C ATOM 1568 CG PHE A 102 2.609 -4.125 -3.075 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.394 -4.677 -2.714 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.001 -2.943 -2.469 1.00 0.61 C ATOM 1571 CE1 PHE A 102 0.588 -4.061 -1.779 1.00 0.74 C ATOM 1572 CE2 PHE A 102 2.200 -2.323 -1.539 1.00 0.84 C ATOM 1573 CZ PHE A 102 0.968 -2.891 -1.207 1.00 0.86 C ATOM 0 H PHE A 102 3.464 -6.480 -1.690 1.00 0.31 H new ATOM 0 HA PHE A 102 4.309 -6.721 -4.497 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.264 -4.092 -4.405 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.896 -5.027 -4.976 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.072 -5.602 -3.169 1.00 0.59 H new ATOM 0 HD2 PHE A 102 3.951 -2.501 -2.731 1.00 0.61 H new ATOM 0 HE1 PHE A 102 -0.352 -4.513 -1.500 1.00 0.74 H new ATOM 0 HE2 PHE A 102 2.521 -1.405 -1.069 1.00 0.84 H new ATOM 0 HZ PHE A 102 0.319 -2.400 -0.497 1.00 0.86 H new ATOM 1583 N ASN A 103 6.561 -6.413 -3.612 1.00 0.24 N ATOM 1584 CA ASN A 103 7.867 -6.444 -3.031 1.00 0.25 C ATOM 1585 C ASN A 103 8.769 -5.411 -3.661 1.00 0.28 C ATOM 1586 O ASN A 103 8.765 -5.193 -4.866 1.00 0.49 O ATOM 1587 CB ASN A 103 8.487 -7.812 -3.228 1.00 0.33 C ATOM 1588 CG ASN A 103 7.613 -8.952 -2.737 1.00 1.08 C ATOM 1589 OD1 ASN A 103 6.869 -8.811 -1.769 1.00 2.11 O ATOM 1590 ND2 ASN A 103 7.693 -10.093 -3.406 1.00 1.25 N ATOM 0 H ASN A 103 6.492 -6.889 -4.512 1.00 0.24 H new ATOM 0 HA ASN A 103 7.763 -6.225 -1.968 1.00 0.25 H new ATOM 0 HB2 ASN A 103 8.697 -7.957 -4.288 1.00 0.33 H new ATOM 0 HB3 ASN A 103 9.443 -7.847 -2.705 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.125 -10.892 -3.122 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.322 -10.173 -4.205 1.00 1.25 H new ATOM 1597 N LEU A 104 9.562 -4.818 -2.827 1.00 0.23 N ATOM 1598 CA LEU A 104 10.545 -3.843 -3.261 1.00 0.24 C ATOM 1599 C LEU A 104 11.948 -4.402 -3.083 1.00 0.25 C ATOM 1600 O LEU A 104 12.421 -4.573 -1.971 1.00 0.37 O ATOM 1601 CB LEU A 104 10.404 -2.522 -2.489 1.00 0.27 C ATOM 1602 CG LEU A 104 11.697 -1.769 -2.304 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.661 -0.495 -3.117 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.995 -1.477 -0.837 1.00 0.30 C ATOM 0 H LEU A 104 9.556 -4.988 -1.821 1.00 0.23 H new ATOM 0 HA LEU A 104 10.369 -3.636 -4.317 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.696 -1.881 -3.015 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.976 -2.732 -1.509 1.00 0.27 H new ATOM 0 HG LEU A 104 12.509 -2.402 -2.661 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.596 0.049 -2.983 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.532 -0.740 -4.171 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.829 0.126 -2.784 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.936 -0.933 -0.758 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.191 -0.873 -0.416 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.071 -2.415 -0.287 1.00 0.30 H new ATOM 1616 N THR A 105 12.619 -4.670 -4.171 1.00 0.23 N ATOM 1617 CA THR A 105 13.957 -5.200 -4.102 1.00 0.24 C ATOM 1618 C THR A 105 14.945 -4.053 -4.171 1.00 0.21 C ATOM 1619 O THR A 105 15.248 -3.537 -5.246 1.00 0.22 O ATOM 1620 CB THR A 105 14.245 -6.195 -5.232 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.125 -7.078 -5.404 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.489 -7.009 -4.911 1.00 0.32 C ATOM 0 H THR A 105 12.262 -4.531 -5.116 1.00 0.23 H new ATOM 0 HA THR A 105 14.058 -5.739 -3.160 1.00 0.24 H new ATOM 0 HB THR A 105 14.411 -5.638 -6.154 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.315 -7.710 -6.129 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.683 -7.712 -5.721 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.342 -6.340 -4.799 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.334 -7.559 -3.983 1.00 0.32 H new ATOM 1630 N VAL A 106 15.410 -3.638 -3.011 1.00 0.23 N ATOM 1631 CA VAL A 106 16.311 -2.535 -2.898 1.00 0.23 C ATOM 1632 C VAL A 106 17.739 -2.998 -3.109 1.00 0.25 C ATOM 1633 O VAL A 106 18.270 -3.875 -2.427 1.00 0.28 O ATOM 1634 CB VAL A 106 16.170 -1.802 -1.549 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.394 -2.748 -0.397 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.089 -0.594 -1.496 1.00 0.33 C ATOM 0 H VAL A 106 15.165 -4.067 -2.119 1.00 0.23 H new ATOM 0 HA VAL A 106 16.050 -1.820 -3.678 1.00 0.23 H new ATOM 0 HB VAL A 106 15.149 -1.430 -1.457 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.289 -2.207 0.544 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.658 -3.551 -0.438 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.397 -3.170 -0.463 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.974 -0.091 -0.536 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.123 -0.918 -1.614 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.831 0.095 -2.300 1.00 0.33 H new ATOM 1646 N HIS A 107 18.312 -2.393 -4.090 1.00 0.26 N ATOM 1647 CA HIS A 107 19.647 -2.683 -4.552 1.00 0.31 C ATOM 1648 C HIS A 107 20.582 -1.573 -4.137 1.00 0.34 C ATOM 1649 O HIS A 107 20.566 -0.487 -4.699 1.00 0.36 O ATOM 1650 CB HIS A 107 19.670 -2.848 -6.076 1.00 0.36 C ATOM 1651 CG HIS A 107 18.862 -4.010 -6.556 1.00 0.43 C ATOM 1652 ND1 HIS A 107 19.221 -5.315 -6.315 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.688 -4.063 -7.233 1.00 0.70 C ATOM 1654 CE1 HIS A 107 18.304 -6.119 -6.813 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.363 -5.389 -7.374 1.00 0.53 N ATOM 0 H HIS A 107 17.855 -1.652 -4.621 1.00 0.26 H new ATOM 0 HA HIS A 107 19.976 -3.619 -4.101 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.293 -1.936 -6.539 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.702 -2.970 -6.406 1.00 0.36 H new ATOM 0 HD2 HIS A 107 17.116 -3.220 -7.593 1.00 0.70 H new ATOM 0 HE1 HIS A 107 18.321 -7.198 -6.768 1.00 1.10 H new ATOM 0 HE2 HIS A 107 16.529 -5.750 -7.837 1.00 0.53 H new ATOM 1664 N GLU A 108 21.332 -1.840 -3.105 1.00 0.45 N ATOM 1665 CA GLU A 108 22.350 -0.911 -2.629 1.00 0.56 C ATOM 1666 C GLU A 108 23.491 -0.776 -3.634 1.00 0.71 C ATOM 1667 O GLU A 108 23.544 0.190 -4.398 1.00 1.33 O ATOM 1668 CB GLU A 108 22.896 -1.369 -1.274 1.00 0.71 C ATOM 1669 CG GLU A 108 23.817 -0.357 -0.615 1.00 0.87 C ATOM 1670 CD GLU A 108 24.352 -0.843 0.712 1.00 1.20 C ATOM 1671 OE1 GLU A 108 25.379 -1.554 0.723 1.00 1.67 O ATOM 1672 OE2 GLU A 108 23.746 -0.522 1.751 1.00 1.66 O ATOM 0 H GLU A 108 21.265 -2.702 -2.563 1.00 0.45 H new ATOM 0 HA GLU A 108 21.882 0.067 -2.514 1.00 0.56 H new ATOM 0 HB2 GLU A 108 22.060 -1.575 -0.606 1.00 0.71 H new ATOM 0 HB3 GLU A 108 23.436 -2.306 -1.408 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.651 -0.140 -1.282 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.277 0.578 -0.465 1.00 0.87 H new ATOM 1679 N ALA A 109 24.384 -1.764 -3.630 1.00 1.29 N ATOM 1680 CA ALA A 109 25.558 -1.764 -4.491 1.00 1.54 C ATOM 1681 C ALA A 109 26.366 -3.031 -4.253 1.00 2.12 C ATOM 1682 O ALA A 109 25.932 -3.919 -3.516 1.00 2.78 O ATOM 1683 CB ALA A 109 26.428 -0.540 -4.229 1.00 2.44 C ATOM 0 H ALA A 109 24.311 -2.585 -3.029 1.00 1.29 H new ATOM 0 HA ALA A 109 25.225 -1.730 -5.528 1.00 1.54 H new ATOM 0 HB1 ALA A 109 27.298 -0.565 -4.885 1.00 2.44 H new ATOM 0 HB2 ALA A 109 25.852 0.364 -4.424 1.00 2.44 H new ATOM 0 HB3 ALA A 109 26.757 -0.543 -3.190 1.00 2.44 H new ATOM 1689 N MET A 110 27.532 -3.115 -4.876 1.00 2.77 N ATOM 1690 CA MET A 110 28.431 -4.239 -4.672 1.00 3.92 C ATOM 1691 C MET A 110 29.856 -3.822 -5.008 1.00 4.80 C ATOM 1692 O MET A 110 30.603 -3.447 -4.083 1.00 5.41 O ATOM 1693 CB MET A 110 28.006 -5.435 -5.529 1.00 4.52 C ATOM 1694 CG MET A 110 28.815 -6.692 -5.258 1.00 5.33 C ATOM 1695 SD MET A 110 28.359 -8.060 -6.343 1.00 6.12 S ATOM 1696 CE MET A 110 28.874 -7.407 -7.929 1.00 6.92 C ATOM 1697 OXT MET A 110 30.216 -3.840 -6.205 1.00 5.23 O ATOM 0 H MET A 110 27.878 -2.413 -5.530 1.00 2.77 H new ATOM 0 HA MET A 110 28.385 -4.542 -3.626 1.00 3.92 H new ATOM 0 HB2 MET A 110 26.952 -5.645 -5.349 1.00 4.52 H new ATOM 0 HB3 MET A 110 28.103 -5.170 -6.582 1.00 4.52 H new ATOM 0 HG2 MET A 110 29.875 -6.471 -5.384 1.00 5.33 H new ATOM 0 HG3 MET A 110 28.673 -6.994 -4.220 1.00 5.33 H new ATOM 0 HE1 MET A 110 29.014 -8.228 -8.632 1.00 6.92 H new ATOM 0 HE2 MET A 110 28.109 -6.730 -8.309 1.00 6.92 H new ATOM 0 HE3 MET A 110 29.813 -6.865 -7.812 1.00 6.92 H new TER 1707 MET A 110