USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 1.09 K(o=2,f=-6.2!) USER MOD Set 1.3: A 81 THR OG1 : rot 150:sc= 0.943 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.31 (180deg=0.959) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.01) USER MOD Single : A 3 SER OG : rot -34:sc= 1.27 USER MOD Single : A 4 SER OG : rot 38:sc= 0.207 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -102:sc= 0.422 USER MOD Single : A 19 THR OG1 : rot -179:sc= -0.148 USER MOD Single : A 23 ASN : amide:sc= 0.873 K(o=0.87,f=-0.11) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.00012) USER MOD Single : A 29 THR OG1 : rot -130:sc= -0.106 USER MOD Single : A 30 SER OG : rot 84:sc= 1.11 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= 1.21 (180deg=-0.329) USER MOD Single : A 39 SER OG : rot 170:sc= 0.0519 USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= 1.31 (180deg=0.289) USER MOD Single : A 48 SER OG : rot 77:sc= 0.831 USER MOD Single : A 49 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.6) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -108:sc= -1.89! (180deg=-5.37!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.018) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.481) USER MOD Single : A 84 ASN : amide:sc= 1.54 K(o=1.5,f=-2.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.433 K(o=0.43,f=-4.3!) USER MOD Single : A 97 THR OG1 : rot 55:sc= -0.776 USER MOD Single : A 98 ASN : amide:sc= -0.0893 K(o=-0.089,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.569 6.986 -6.113 1.00 0.00 N ATOM 2 CA MET A 1 -19.665 7.586 -5.109 1.00 0.00 C ATOM 3 C MET A 1 -18.483 6.668 -4.839 1.00 0.00 C ATOM 4 O MET A 1 -18.653 5.523 -4.411 1.00 0.00 O ATOM 5 CB MET A 1 -20.407 7.860 -3.795 1.00 0.00 C ATOM 6 CG MET A 1 -21.422 8.991 -3.873 1.00 0.00 C ATOM 7 SD MET A 1 -22.786 8.643 -4.999 1.00 0.00 S ATOM 8 CE MET A 1 -23.786 10.111 -4.771 1.00 0.00 C ATOM 0 H1 MET A 1 -21.553 7.233 -5.886 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.330 7.350 -7.057 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.461 5.952 -6.104 1.00 0.00 H new ATOM 0 HA MET A 1 -19.303 8.531 -5.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.919 6.949 -3.484 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.676 8.096 -3.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.821 9.182 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.917 9.902 -4.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.672 10.049 -5.402 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.089 10.186 -3.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.206 10.992 -5.045 1.00 0.00 H new ATOM 18 N LYS A 2 -17.287 7.161 -5.121 1.00 0.00 N ATOM 19 CA LYS A 2 -16.068 6.445 -4.792 1.00 0.00 C ATOM 20 C LYS A 2 -15.449 7.083 -3.556 1.00 0.00 C ATOM 21 O LYS A 2 -14.944 8.204 -3.614 1.00 0.00 O ATOM 22 CB LYS A 2 -15.086 6.481 -5.967 1.00 0.00 C ATOM 23 CG LYS A 2 -13.876 5.571 -5.791 1.00 0.00 C ATOM 24 CD LYS A 2 -14.266 4.100 -5.809 1.00 0.00 C ATOM 25 CE LYS A 2 -14.822 3.677 -7.163 1.00 0.00 C ATOM 26 NZ LYS A 2 -15.212 2.242 -7.181 1.00 0.00 N ATOM 0 H LYS A 2 -17.136 8.059 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.300 5.400 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.613 6.195 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.740 7.505 -6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.156 5.766 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.380 5.804 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.395 3.490 -5.567 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.011 3.912 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.689 4.291 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.074 3.859 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.928 2.086 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.375 1.657 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.606 1.978 -6.255 1.00 0.00 H new ATOM 40 N SER A 3 -15.530 6.381 -2.439 1.00 0.00 N ATOM 41 CA SER A 3 -15.115 6.921 -1.154 1.00 0.00 C ATOM 42 C SER A 3 -13.610 7.210 -1.104 1.00 0.00 C ATOM 43 O SER A 3 -12.776 6.307 -1.230 1.00 0.00 O ATOM 44 CB SER A 3 -15.509 5.943 -0.046 1.00 0.00 C ATOM 45 OG SER A 3 -16.890 5.622 -0.130 1.00 0.00 O ATOM 0 H SER A 3 -15.883 5.425 -2.396 1.00 0.00 H new ATOM 0 HA SER A 3 -15.623 7.874 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.913 5.034 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.291 6.381 0.928 1.00 0.00 H new ATOM 0 HG SER A 3 -17.389 6.403 -0.448 1.00 0.00 H new ATOM 51 N SER A 4 -13.278 8.484 -0.941 1.00 0.00 N ATOM 52 CA SER A 4 -11.902 8.904 -0.732 1.00 0.00 C ATOM 53 C SER A 4 -11.611 8.946 0.763 1.00 0.00 C ATOM 54 O SER A 4 -12.344 9.584 1.521 1.00 0.00 O ATOM 55 CB SER A 4 -11.678 10.279 -1.362 1.00 0.00 C ATOM 56 OG SER A 4 -12.664 11.200 -0.923 1.00 0.00 O ATOM 0 H SER A 4 -13.952 9.250 -0.950 1.00 0.00 H new ATOM 0 HA SER A 4 -11.224 8.194 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.687 10.648 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.709 10.196 -2.448 1.00 0.00 H new ATOM 0 HG SER A 4 -12.870 11.034 0.021 1.00 0.00 H new ATOM 62 N ILE A 5 -10.558 8.264 1.187 1.00 0.00 N ATOM 63 CA ILE A 5 -10.283 8.098 2.607 1.00 0.00 C ATOM 64 C ILE A 5 -8.810 8.372 2.909 1.00 0.00 C ATOM 65 O ILE A 5 -7.934 7.971 2.141 1.00 0.00 O ATOM 66 CB ILE A 5 -10.657 6.662 3.062 1.00 0.00 C ATOM 67 CG1 ILE A 5 -12.128 6.371 2.744 1.00 0.00 C ATOM 68 CG2 ILE A 5 -10.391 6.467 4.550 1.00 0.00 C ATOM 69 CD1 ILE A 5 -12.569 4.969 3.103 1.00 0.00 C ATOM 0 H ILE A 5 -9.880 7.817 0.569 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.890 8.816 3.158 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.029 5.961 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.753 7.086 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.298 6.533 1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.663 5.452 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.333 6.631 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.986 7.178 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.621 4.842 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.971 4.246 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.433 4.807 4.172 1.00 0.00 H new ATOM 81 N PRO A 6 -8.520 9.091 4.014 1.00 0.00 N ATOM 82 CA PRO A 6 -7.144 9.377 4.434 1.00 0.00 C ATOM 83 C PRO A 6 -6.430 8.142 4.979 1.00 0.00 C ATOM 84 O PRO A 6 -7.071 7.166 5.386 1.00 0.00 O ATOM 85 CB PRO A 6 -7.316 10.420 5.538 1.00 0.00 C ATOM 86 CG PRO A 6 -8.680 10.173 6.086 1.00 0.00 C ATOM 87 CD PRO A 6 -9.512 9.687 4.931 1.00 0.00 C ATOM 0 HA PRO A 6 -6.530 9.715 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.554 10.309 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.225 11.432 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.651 9.432 6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.100 11.084 6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.253 8.954 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.056 10.504 4.457 1.00 0.00 H new ATOM 95 N ILE A 7 -5.104 8.199 5.012 1.00 0.00 N ATOM 96 CA ILE A 7 -4.293 7.052 5.411 1.00 0.00 C ATOM 97 C ILE A 7 -4.541 6.659 6.868 1.00 0.00 C ATOM 98 O ILE A 7 -4.458 5.482 7.217 1.00 0.00 O ATOM 99 CB ILE A 7 -2.783 7.315 5.181 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.966 6.068 5.520 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.298 8.506 5.995 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.339 4.861 4.689 1.00 0.00 C ATOM 0 H ILE A 7 -4.565 9.029 4.767 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.599 6.219 4.778 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.642 7.551 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.908 6.286 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.102 5.830 6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.235 8.664 5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.853 9.397 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.458 8.311 7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.721 4.012 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.389 4.618 4.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.177 5.081 3.634 1.00 0.00 H new ATOM 114 N THR A 8 -4.884 7.635 7.704 1.00 0.00 N ATOM 115 CA THR A 8 -5.138 7.378 9.119 1.00 0.00 C ATOM 116 C THR A 8 -6.245 6.337 9.304 1.00 0.00 C ATOM 117 O THR A 8 -6.285 5.635 10.316 1.00 0.00 O ATOM 118 CB THR A 8 -5.507 8.682 9.872 1.00 0.00 C ATOM 119 OG1 THR A 8 -5.710 8.414 11.266 1.00 0.00 O ATOM 120 CG2 THR A 8 -6.766 9.319 9.295 1.00 0.00 C ATOM 0 H THR A 8 -4.992 8.611 7.427 1.00 0.00 H new ATOM 0 HA THR A 8 -4.215 6.983 9.544 1.00 0.00 H new ATOM 0 HB THR A 8 -4.676 9.377 9.749 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.941 9.246 11.729 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.997 10.231 9.845 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.603 9.560 8.245 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.599 8.622 9.382 1.00 0.00 H new ATOM 128 N GLU A 9 -7.132 6.229 8.322 1.00 0.00 N ATOM 129 CA GLU A 9 -8.203 5.249 8.368 1.00 0.00 C ATOM 130 C GLU A 9 -7.845 4.022 7.537 1.00 0.00 C ATOM 131 O GLU A 9 -8.058 2.890 7.963 1.00 0.00 O ATOM 132 CB GLU A 9 -9.507 5.857 7.851 1.00 0.00 C ATOM 133 CG GLU A 9 -10.045 6.987 8.713 1.00 0.00 C ATOM 134 CD GLU A 9 -10.375 6.537 10.122 1.00 0.00 C ATOM 135 OE1 GLU A 9 -11.378 5.812 10.304 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.632 6.900 11.054 1.00 0.00 O ATOM 0 H GLU A 9 -7.128 6.811 7.484 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.338 4.945 9.406 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.346 6.230 6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.261 5.073 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.309 7.790 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.940 7.400 8.248 1.00 0.00 H new ATOM 143 N VAL A 10 -7.287 4.256 6.356 1.00 0.00 N ATOM 144 CA VAL A 10 -6.978 3.173 5.427 1.00 0.00 C ATOM 145 C VAL A 10 -5.913 2.235 5.989 1.00 0.00 C ATOM 146 O VAL A 10 -5.990 1.026 5.797 1.00 0.00 O ATOM 147 CB VAL A 10 -6.521 3.713 4.056 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.108 2.579 3.130 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.625 4.539 3.417 1.00 0.00 C ATOM 0 H VAL A 10 -7.039 5.186 6.017 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.901 2.610 5.290 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.652 4.351 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.791 2.989 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.283 2.025 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.954 1.909 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.287 4.913 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.509 3.918 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.872 5.380 4.065 1.00 0.00 H new ATOM 159 N LEU A 11 -4.939 2.797 6.698 1.00 0.00 N ATOM 160 CA LEU A 11 -3.842 2.013 7.266 1.00 0.00 C ATOM 161 C LEU A 11 -4.356 0.835 8.118 1.00 0.00 C ATOM 162 O LEU A 11 -4.099 -0.322 7.782 1.00 0.00 O ATOM 163 CB LEU A 11 -2.905 2.932 8.070 1.00 0.00 C ATOM 164 CG LEU A 11 -1.989 2.232 9.077 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.054 1.258 8.380 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.196 3.256 9.875 1.00 0.00 C ATOM 0 H LEU A 11 -4.885 3.796 6.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.275 1.572 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.284 3.489 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.513 3.661 8.606 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.614 1.663 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.415 0.775 9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.640 0.502 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.436 1.797 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.550 2.742 10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.586 3.853 9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.883 3.908 10.414 1.00 0.00 H new ATOM 178 N PRO A 12 -5.090 1.091 9.221 1.00 0.00 N ATOM 179 CA PRO A 12 -5.632 0.016 10.062 1.00 0.00 C ATOM 180 C PRO A 12 -6.725 -0.798 9.364 1.00 0.00 C ATOM 181 O PRO A 12 -6.955 -1.960 9.704 1.00 0.00 O ATOM 182 CB PRO A 12 -6.211 0.759 11.268 1.00 0.00 C ATOM 183 CG PRO A 12 -6.472 2.140 10.785 1.00 0.00 C ATOM 184 CD PRO A 12 -5.417 2.424 9.760 1.00 0.00 C ATOM 0 HA PRO A 12 -4.863 -0.713 10.318 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.127 0.285 11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.511 0.760 12.104 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.469 2.220 10.352 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.422 2.856 11.605 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.784 3.092 8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.544 2.902 10.205 1.00 0.00 H new ATOM 192 N ARG A 13 -7.391 -0.193 8.385 1.00 0.00 N ATOM 193 CA ARG A 13 -8.475 -0.859 7.671 1.00 0.00 C ATOM 194 C ARG A 13 -7.955 -1.659 6.478 1.00 0.00 C ATOM 195 O ARG A 13 -8.736 -2.214 5.705 1.00 0.00 O ATOM 196 CB ARG A 13 -9.499 0.174 7.199 1.00 0.00 C ATOM 197 CG ARG A 13 -10.297 0.802 8.331 1.00 0.00 C ATOM 198 CD ARG A 13 -11.158 1.959 7.848 1.00 0.00 C ATOM 199 NE ARG A 13 -12.127 1.552 6.829 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.391 1.979 6.801 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.847 2.791 7.747 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.203 1.598 5.823 1.00 0.00 N ATOM 0 H ARG A 13 -7.199 0.757 8.068 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.950 -1.557 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.982 0.961 6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.188 -0.302 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.932 0.045 8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.614 1.156 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.688 2.391 8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.516 2.740 7.442 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.819 0.907 6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.230 3.092 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.814 3.114 7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.862 0.977 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.169 1.926 5.805 1.00 0.00 H new ATOM 216 N ALA A 14 -6.640 -1.715 6.331 1.00 0.00 N ATOM 217 CA ALA A 14 -6.029 -2.451 5.237 1.00 0.00 C ATOM 218 C ALA A 14 -5.738 -3.889 5.647 1.00 0.00 C ATOM 219 O ALA A 14 -5.465 -4.171 6.814 1.00 0.00 O ATOM 220 CB ALA A 14 -4.749 -1.767 4.778 1.00 0.00 C ATOM 0 H ALA A 14 -5.976 -1.259 6.957 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.734 -2.465 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.307 -2.334 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.978 -0.757 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.044 -1.720 5.608 1.00 0.00 H new ATOM 226 N VAL A 15 -5.805 -4.792 4.682 1.00 0.00 N ATOM 227 CA VAL A 15 -5.524 -6.202 4.922 1.00 0.00 C ATOM 228 C VAL A 15 -4.268 -6.630 4.172 1.00 0.00 C ATOM 229 O VAL A 15 -3.847 -7.784 4.237 1.00 0.00 O ATOM 230 CB VAL A 15 -6.707 -7.099 4.498 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.907 -6.867 5.401 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.075 -6.850 3.041 1.00 0.00 C ATOM 0 H VAL A 15 -6.053 -4.573 3.717 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.369 -6.324 5.994 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.399 -8.140 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.730 -7.509 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.638 -7.102 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.215 -5.824 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.911 -7.492 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.360 -5.806 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.218 -7.074 2.406 1.00 0.00 H new ATOM 242 N GLY A 16 -3.677 -5.687 3.460 1.00 0.00 N ATOM 243 CA GLY A 16 -2.476 -5.955 2.710 1.00 0.00 C ATOM 244 C GLY A 16 -1.809 -4.666 2.321 1.00 0.00 C ATOM 245 O GLY A 16 -2.487 -3.667 2.110 1.00 0.00 O ATOM 0 H GLY A 16 -4.015 -4.727 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.794 -6.561 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.717 -6.532 1.817 1.00 0.00 H new ATOM 249 N SER A 17 -0.500 -4.668 2.232 1.00 0.00 N ATOM 250 CA SER A 17 0.224 -3.450 1.937 1.00 0.00 C ATOM 251 C SER A 17 1.425 -3.735 1.042 1.00 0.00 C ATOM 252 O SER A 17 2.218 -4.641 1.311 1.00 0.00 O ATOM 253 CB SER A 17 0.670 -2.785 3.245 1.00 0.00 C ATOM 254 OG SER A 17 -0.429 -2.575 4.118 1.00 0.00 O ATOM 0 H SER A 17 0.085 -5.494 2.359 1.00 0.00 H new ATOM 0 HA SER A 17 -0.437 -2.770 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.414 -3.410 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.150 -1.831 3.025 1.00 0.00 H new ATOM 0 HG SER A 17 -0.700 -1.634 4.083 1.00 0.00 H new ATOM 260 N LEU A 18 1.530 -2.976 -0.036 1.00 0.00 N ATOM 261 CA LEU A 18 2.666 -3.072 -0.934 1.00 0.00 C ATOM 262 C LEU A 18 3.548 -1.845 -0.801 1.00 0.00 C ATOM 263 O LEU A 18 3.120 -0.728 -1.086 1.00 0.00 O ATOM 264 CB LEU A 18 2.209 -3.222 -2.383 1.00 0.00 C ATOM 265 CG LEU A 18 1.982 -4.660 -2.840 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.423 -4.699 -4.250 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.278 -5.446 -2.776 1.00 0.00 C ATOM 0 H LEU A 18 0.835 -2.281 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 18 3.237 -3.958 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.282 -2.663 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.954 -2.763 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 18 1.256 -5.116 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.270 -5.735 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.471 -4.168 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.125 -4.222 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.099 -6.470 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.019 -4.980 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.649 -5.454 -1.751 1.00 0.00 H new ATOM 279 N THR A 19 4.773 -2.059 -0.365 1.00 0.00 N ATOM 280 CA THR A 19 5.716 -0.975 -0.179 1.00 0.00 C ATOM 281 C THR A 19 6.590 -0.821 -1.417 1.00 0.00 C ATOM 282 O THR A 19 7.322 -1.741 -1.789 1.00 0.00 O ATOM 283 CB THR A 19 6.608 -1.226 1.048 1.00 0.00 C ATOM 284 OG1 THR A 19 5.797 -1.616 2.166 1.00 0.00 O ATOM 285 CG2 THR A 19 7.407 0.019 1.405 1.00 0.00 C ATOM 0 H THR A 19 5.141 -2.981 -0.131 1.00 0.00 H new ATOM 0 HA THR A 19 5.148 -0.059 -0.017 1.00 0.00 H new ATOM 0 HB THR A 19 7.307 -2.026 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.368 -1.761 2.949 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.029 -0.186 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.041 0.298 0.563 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.724 0.837 1.632 1.00 0.00 H new ATOM 293 N PHE A 20 6.490 0.326 -2.061 1.00 0.00 N ATOM 294 CA PHE A 20 7.265 0.610 -3.255 1.00 0.00 C ATOM 295 C PHE A 20 8.311 1.683 -2.984 1.00 0.00 C ATOM 296 O PHE A 20 8.173 2.503 -2.069 1.00 0.00 O ATOM 297 CB PHE A 20 6.354 1.051 -4.404 1.00 0.00 C ATOM 298 CG PHE A 20 5.694 -0.077 -5.139 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.856 -0.962 -4.482 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.904 -0.238 -6.497 1.00 0.00 C ATOM 301 CE1 PHE A 20 4.243 -1.989 -5.170 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.296 -1.263 -7.188 1.00 0.00 C ATOM 303 CZ PHE A 20 4.464 -2.140 -6.524 1.00 0.00 C ATOM 0 H PHE A 20 5.872 1.085 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 20 7.775 -0.309 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.582 1.711 -4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.940 1.636 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.681 -0.848 -3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.552 0.448 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.591 -2.674 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.470 -1.380 -8.247 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.986 -2.944 -7.063 1.00 0.00 H new ATOM 313 N ASP A 21 9.352 1.661 -3.787 1.00 0.00 N ATOM 314 CA ASP A 21 10.452 2.597 -3.664 1.00 0.00 C ATOM 315 C ASP A 21 10.163 3.871 -4.453 1.00 0.00 C ATOM 316 O ASP A 21 9.197 3.929 -5.210 1.00 0.00 O ATOM 317 CB ASP A 21 11.733 1.915 -4.169 1.00 0.00 C ATOM 318 CG ASP A 21 12.961 2.796 -4.094 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.518 2.961 -2.993 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.377 3.319 -5.145 1.00 0.00 O ATOM 0 H ASP A 21 9.461 0.991 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 21 10.581 2.883 -2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.908 1.012 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.584 1.602 -5.202 1.00 0.00 H new ATOM 325 N GLU A 22 11.000 4.884 -4.265 1.00 0.00 N ATOM 326 CA GLU A 22 10.882 6.142 -4.986 1.00 0.00 C ATOM 327 C GLU A 22 11.052 5.931 -6.492 1.00 0.00 C ATOM 328 O GLU A 22 10.547 6.709 -7.297 1.00 0.00 O ATOM 329 CB GLU A 22 11.924 7.132 -4.457 1.00 0.00 C ATOM 330 CG GLU A 22 13.328 6.550 -4.381 1.00 0.00 C ATOM 331 CD GLU A 22 14.323 7.490 -3.738 1.00 0.00 C ATOM 332 OE1 GLU A 22 14.359 7.565 -2.489 1.00 0.00 O ATOM 333 OE2 GLU A 22 15.091 8.147 -4.474 1.00 0.00 O ATOM 0 H GLU A 22 11.779 4.855 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 22 9.884 6.549 -4.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.938 8.012 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.624 7.468 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.299 5.618 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.668 6.302 -5.387 1.00 0.00 H new ATOM 340 N ASN A 23 11.758 4.864 -6.868 1.00 0.00 N ATOM 341 CA ASN A 23 11.928 4.506 -8.271 1.00 0.00 C ATOM 342 C ASN A 23 10.784 3.609 -8.735 1.00 0.00 C ATOM 343 O ASN A 23 10.813 3.062 -9.840 1.00 0.00 O ATOM 344 CB ASN A 23 13.264 3.794 -8.480 1.00 0.00 C ATOM 345 CG ASN A 23 14.458 4.678 -8.173 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.991 5.348 -9.055 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.884 4.690 -6.920 1.00 0.00 N ATOM 0 H ASN A 23 12.222 4.232 -6.215 1.00 0.00 H new ATOM 0 HA ASN A 23 11.919 5.422 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.301 2.908 -7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.329 3.450 -9.512 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.681 5.270 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.415 4.120 -6.216 1.00 0.00 H new ATOM 354 N TYR A 24 9.777 3.477 -7.869 1.00 0.00 N ATOM 355 CA TYR A 24 8.567 2.700 -8.149 1.00 0.00 C ATOM 356 C TYR A 24 8.856 1.202 -8.264 1.00 0.00 C ATOM 357 O TYR A 24 8.174 0.485 -8.992 1.00 0.00 O ATOM 358 CB TYR A 24 7.880 3.214 -9.417 1.00 0.00 C ATOM 359 CG TYR A 24 7.505 4.677 -9.349 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.387 5.096 -8.642 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.275 5.639 -9.991 1.00 0.00 C ATOM 362 CE1 TYR A 24 6.046 6.433 -8.575 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.939 6.976 -9.930 1.00 0.00 C ATOM 364 CZ TYR A 24 6.825 7.369 -9.222 1.00 0.00 C ATOM 365 OH TYR A 24 6.489 8.701 -9.159 1.00 0.00 O ATOM 0 H TYR A 24 9.778 3.910 -6.946 1.00 0.00 H new ATOM 0 HA TYR A 24 7.894 2.834 -7.302 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.542 3.056 -10.269 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.981 2.625 -9.598 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.774 4.365 -8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.150 5.336 -10.546 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.174 6.744 -8.019 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.547 7.711 -10.436 1.00 0.00 H new ATOM 0 HH TYR A 24 7.141 9.227 -9.667 1.00 0.00 H new ATOM 375 N ASN A 25 9.846 0.727 -7.519 1.00 0.00 N ATOM 376 CA ASN A 25 10.140 -0.703 -7.483 1.00 0.00 C ATOM 377 C ASN A 25 9.620 -1.309 -6.187 1.00 0.00 C ATOM 378 O ASN A 25 9.624 -0.654 -5.147 1.00 0.00 O ATOM 379 CB ASN A 25 11.644 -0.975 -7.622 1.00 0.00 C ATOM 380 CG ASN A 25 12.205 -0.503 -8.951 1.00 0.00 C ATOM 381 OD1 ASN A 25 12.057 -1.175 -9.971 1.00 0.00 O ATOM 382 ND2 ASN A 25 12.897 0.625 -8.935 1.00 0.00 N ATOM 0 H ASN A 25 10.454 1.303 -6.937 1.00 0.00 H new ATOM 0 HA ASN A 25 9.637 -1.168 -8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.175 -0.477 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.827 -2.044 -7.514 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.333 0.968 -9.791 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.995 1.151 -8.067 1.00 0.00 H new ATOM 389 N LEU A 26 9.157 -2.552 -6.257 1.00 0.00 N ATOM 390 CA LEU A 26 8.626 -3.246 -5.093 1.00 0.00 C ATOM 391 C LEU A 26 9.706 -3.485 -4.040 1.00 0.00 C ATOM 392 O LEU A 26 10.766 -4.036 -4.334 1.00 0.00 O ATOM 393 CB LEU A 26 8.011 -4.579 -5.525 1.00 0.00 C ATOM 394 CG LEU A 26 7.526 -5.474 -4.387 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.524 -4.733 -3.521 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.917 -6.753 -4.941 1.00 0.00 C ATOM 0 H LEU A 26 9.140 -3.102 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 26 7.859 -2.615 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.170 -4.374 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.750 -5.129 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 26 8.381 -5.743 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.188 -5.385 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.995 -3.845 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.669 -4.436 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.576 -7.380 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.071 -6.505 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.667 -7.291 -5.521 1.00 0.00 H new ATOM 408 N LEU A 27 9.424 -3.059 -2.816 1.00 0.00 N ATOM 409 CA LEU A 27 10.325 -3.277 -1.692 1.00 0.00 C ATOM 410 C LEU A 27 9.768 -4.337 -0.750 1.00 0.00 C ATOM 411 O LEU A 27 10.427 -5.334 -0.455 1.00 0.00 O ATOM 412 CB LEU A 27 10.530 -1.977 -0.915 1.00 0.00 C ATOM 413 CG LEU A 27 11.131 -0.826 -1.718 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.168 0.437 -0.873 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.525 -1.187 -2.208 1.00 0.00 C ATOM 0 H LEU A 27 8.570 -2.556 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 27 11.280 -3.619 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.568 -1.656 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.178 -2.181 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 27 10.503 -0.642 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.598 1.252 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.155 0.703 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.777 0.264 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.937 -0.355 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.169 -1.395 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.470 -2.070 -2.844 1.00 0.00 H new ATOM 427 N ASP A 28 8.540 -4.126 -0.291 1.00 0.00 N ATOM 428 CA ASP A 28 7.937 -4.997 0.712 1.00 0.00 C ATOM 429 C ASP A 28 6.533 -5.416 0.309 1.00 0.00 C ATOM 430 O ASP A 28 5.777 -4.630 -0.263 1.00 0.00 O ATOM 431 CB ASP A 28 7.900 -4.285 2.070 1.00 0.00 C ATOM 432 CG ASP A 28 7.108 -5.041 3.121 1.00 0.00 C ATOM 433 OD1 ASP A 28 5.882 -4.830 3.211 1.00 0.00 O ATOM 434 OD2 ASP A 28 7.715 -5.831 3.873 1.00 0.00 O ATOM 0 H ASP A 28 7.942 -3.359 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 28 8.549 -5.896 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.920 -4.143 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.466 -3.293 1.941 1.00 0.00 H new ATOM 439 N THR A 29 6.197 -6.661 0.601 1.00 0.00 N ATOM 440 CA THR A 29 4.865 -7.177 0.362 1.00 0.00 C ATOM 441 C THR A 29 4.309 -7.789 1.644 1.00 0.00 C ATOM 442 O THR A 29 4.881 -8.735 2.184 1.00 0.00 O ATOM 443 CB THR A 29 4.881 -8.239 -0.749 1.00 0.00 C ATOM 444 OG1 THR A 29 5.559 -7.725 -1.903 1.00 0.00 O ATOM 445 CG2 THR A 29 3.468 -8.652 -1.129 1.00 0.00 C ATOM 0 H THR A 29 6.840 -7.339 1.009 1.00 0.00 H new ATOM 0 HA THR A 29 4.230 -6.350 0.045 1.00 0.00 H new ATOM 0 HB THR A 29 5.408 -9.117 -0.374 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.007 -7.871 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.508 -9.404 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.963 -9.067 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.918 -7.781 -1.486 1.00 0.00 H new ATOM 453 N SER A 30 3.205 -7.246 2.132 1.00 0.00 N ATOM 454 CA SER A 30 2.628 -7.698 3.388 1.00 0.00 C ATOM 455 C SER A 30 1.127 -7.928 3.243 1.00 0.00 C ATOM 456 O SER A 30 0.455 -7.237 2.474 1.00 0.00 O ATOM 457 CB SER A 30 2.897 -6.667 4.487 1.00 0.00 C ATOM 458 OG SER A 30 4.290 -6.498 4.704 1.00 0.00 O ATOM 0 H SER A 30 2.691 -6.492 1.677 1.00 0.00 H new ATOM 0 HA SER A 30 3.095 -8.644 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.451 -5.712 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.418 -6.986 5.413 1.00 0.00 H new ATOM 0 HG SER A 30 4.647 -5.858 4.053 1.00 0.00 H new ATOM 464 N GLY A 31 0.612 -8.914 3.968 1.00 0.00 N ATOM 465 CA GLY A 31 -0.818 -9.162 3.986 1.00 0.00 C ATOM 466 C GLY A 31 -1.324 -9.786 2.701 1.00 0.00 C ATOM 467 O GLY A 31 -0.582 -10.483 2.009 1.00 0.00 O ATOM 0 H GLY A 31 1.162 -9.549 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.057 -9.819 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.343 -8.222 4.159 1.00 0.00 H new ATOM 471 N VAL A 32 -2.581 -9.506 2.371 1.00 0.00 N ATOM 472 CA VAL A 32 -3.235 -10.074 1.188 1.00 0.00 C ATOM 473 C VAL A 32 -2.501 -9.692 -0.098 1.00 0.00 C ATOM 474 O VAL A 32 -2.652 -10.341 -1.131 1.00 0.00 O ATOM 475 CB VAL A 32 -4.705 -9.609 1.094 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.413 -10.254 -0.086 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.444 -9.917 2.381 1.00 0.00 C ATOM 0 H VAL A 32 -3.178 -8.880 2.913 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.205 -11.158 1.298 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.703 -8.530 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.445 -9.907 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.903 -9.981 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.399 -11.338 0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.478 -9.582 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.424 -10.991 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.962 -9.399 3.210 1.00 0.00 H new ATOM 487 N ALA A 33 -1.676 -8.657 -0.022 1.00 0.00 N ATOM 488 CA ALA A 33 -0.912 -8.197 -1.175 1.00 0.00 C ATOM 489 C ALA A 33 0.005 -9.296 -1.710 1.00 0.00 C ATOM 490 O ALA A 33 0.488 -9.218 -2.838 1.00 0.00 O ATOM 491 CB ALA A 33 -0.101 -6.967 -0.809 1.00 0.00 C ATOM 0 H ALA A 33 -1.518 -8.118 0.829 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.618 -7.937 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.465 -6.633 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.772 -6.172 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.587 -7.212 -0.000 1.00 0.00 H new ATOM 497 N LYS A 34 0.242 -10.318 -0.895 1.00 0.00 N ATOM 498 CA LYS A 34 1.084 -11.432 -1.295 1.00 0.00 C ATOM 499 C LYS A 34 0.346 -12.367 -2.254 1.00 0.00 C ATOM 500 O LYS A 34 0.934 -12.859 -3.216 1.00 0.00 O ATOM 501 CB LYS A 34 1.558 -12.201 -0.065 1.00 0.00 C ATOM 502 CG LYS A 34 2.327 -11.344 0.930 1.00 0.00 C ATOM 503 CD LYS A 34 2.825 -12.161 2.112 1.00 0.00 C ATOM 504 CE LYS A 34 1.677 -12.785 2.888 1.00 0.00 C ATOM 505 NZ LYS A 34 2.162 -13.550 4.065 1.00 0.00 N ATOM 0 H LYS A 34 -0.139 -10.395 0.048 1.00 0.00 H new ATOM 0 HA LYS A 34 1.951 -11.030 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.694 -12.637 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.192 -13.028 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.174 -10.876 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.685 -10.539 1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.493 -12.946 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.408 -11.523 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.994 -12.003 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.111 -13.446 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.351 -13.961 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.795 -14.312 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.680 -12.913 4.703 1.00 0.00 H new ATOM 519 N VAL A 35 -0.939 -12.600 -1.998 1.00 0.00 N ATOM 520 CA VAL A 35 -1.737 -13.478 -2.855 1.00 0.00 C ATOM 521 C VAL A 35 -2.381 -12.695 -3.999 1.00 0.00 C ATOM 522 O VAL A 35 -2.975 -13.271 -4.912 1.00 0.00 O ATOM 523 CB VAL A 35 -2.829 -14.234 -2.065 1.00 0.00 C ATOM 524 CG1 VAL A 35 -2.201 -15.157 -1.032 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.793 -13.262 -1.402 1.00 0.00 C ATOM 0 H VAL A 35 -1.448 -12.198 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.048 -14.215 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.396 -14.842 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.986 -15.680 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.562 -15.884 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.604 -14.570 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.552 -13.820 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.245 -12.619 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.274 -12.650 -2.165 1.00 0.00 H new ATOM 535 N ILE A 36 -2.287 -11.378 -3.925 1.00 0.00 N ATOM 536 CA ILE A 36 -2.687 -10.521 -5.027 1.00 0.00 C ATOM 537 C ILE A 36 -1.537 -10.395 -6.025 1.00 0.00 C ATOM 538 O ILE A 36 -0.385 -10.200 -5.630 1.00 0.00 O ATOM 539 CB ILE A 36 -3.105 -9.129 -4.509 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.402 -9.239 -3.702 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.271 -8.145 -5.659 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.745 -7.984 -2.936 1.00 0.00 C ATOM 0 H ILE A 36 -1.935 -10.878 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.546 -10.968 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.316 -8.751 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.222 -9.477 -4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.315 -10.070 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.566 -7.172 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.327 -8.049 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.040 -8.509 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.675 -8.135 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.943 -7.756 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.865 -7.154 -3.632 1.00 0.00 H new ATOM 554 N GLU A 37 -1.846 -10.551 -7.307 1.00 0.00 N ATOM 555 CA GLU A 37 -0.839 -10.462 -8.362 1.00 0.00 C ATOM 556 C GLU A 37 -0.249 -9.059 -8.449 1.00 0.00 C ATOM 557 O GLU A 37 -0.922 -8.068 -8.156 1.00 0.00 O ATOM 558 CB GLU A 37 -1.442 -10.856 -9.712 1.00 0.00 C ATOM 559 CG GLU A 37 -2.664 -10.038 -10.096 1.00 0.00 C ATOM 560 CD GLU A 37 -3.212 -10.411 -11.456 1.00 0.00 C ATOM 561 OE1 GLU A 37 -3.525 -11.601 -11.670 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.360 -9.513 -12.309 1.00 0.00 O ATOM 0 H GLU A 37 -2.790 -10.741 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.036 -11.156 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.683 -10.744 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.716 -11.911 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.441 -10.179 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.404 -8.980 -10.091 1.00 0.00 H new ATOM 569 N LYS A 38 1.009 -8.979 -8.852 1.00 0.00 N ATOM 570 CA LYS A 38 1.687 -7.701 -8.964 1.00 0.00 C ATOM 571 C LYS A 38 1.595 -7.187 -10.393 1.00 0.00 C ATOM 572 O LYS A 38 2.499 -7.394 -11.200 1.00 0.00 O ATOM 573 CB LYS A 38 3.158 -7.798 -8.538 1.00 0.00 C ATOM 574 CG LYS A 38 3.389 -7.849 -7.032 1.00 0.00 C ATOM 575 CD LYS A 38 2.671 -9.021 -6.388 1.00 0.00 C ATOM 576 CE LYS A 38 3.197 -9.309 -4.994 1.00 0.00 C ATOM 577 NZ LYS A 38 2.462 -10.428 -4.350 1.00 0.00 N ATOM 0 H LYS A 38 1.580 -9.785 -9.107 1.00 0.00 H new ATOM 0 HA LYS A 38 1.190 -7.003 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.593 -8.690 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.696 -6.942 -8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.458 -7.923 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.044 -6.919 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.603 -8.809 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.790 -9.907 -7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.258 -9.554 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.108 -8.413 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.117 -10.979 -3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.698 -10.046 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.056 -11.044 -5.083 1.00 0.00 H new ATOM 591 N SER A 39 0.477 -6.559 -10.707 1.00 0.00 N ATOM 592 CA SER A 39 0.290 -5.932 -12.004 1.00 0.00 C ATOM 593 C SER A 39 1.071 -4.610 -12.059 1.00 0.00 C ATOM 594 O SER A 39 1.754 -4.265 -11.091 1.00 0.00 O ATOM 595 CB SER A 39 -1.210 -5.724 -12.248 1.00 0.00 C ATOM 596 OG SER A 39 -1.871 -5.296 -11.070 1.00 0.00 O ATOM 0 H SER A 39 -0.321 -6.469 -10.078 1.00 0.00 H new ATOM 0 HA SER A 39 0.677 -6.573 -12.796 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.353 -4.985 -13.036 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.656 -6.655 -12.599 1.00 0.00 H new ATOM 0 HG SER A 39 -2.785 -5.018 -11.290 1.00 0.00 H new ATOM 602 N PRO A 40 1.030 -3.867 -13.191 1.00 0.00 N ATOM 603 CA PRO A 40 1.678 -2.548 -13.300 1.00 0.00 C ATOM 604 C PRO A 40 1.041 -1.496 -12.382 1.00 0.00 C ATOM 605 O PRO A 40 0.569 -0.451 -12.839 1.00 0.00 O ATOM 606 CB PRO A 40 1.488 -2.161 -14.774 1.00 0.00 C ATOM 607 CG PRO A 40 1.143 -3.430 -15.472 1.00 0.00 C ATOM 608 CD PRO A 40 0.402 -4.258 -14.467 1.00 0.00 C ATOM 0 HA PRO A 40 2.723 -2.593 -12.993 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.695 -1.422 -14.887 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.396 -1.720 -15.185 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.528 -3.238 -16.351 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.040 -3.944 -15.817 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.666 -4.042 -14.474 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.513 -5.325 -14.662 1.00 0.00 H new ATOM 616 N ILE A 41 1.045 -1.781 -11.086 1.00 0.00 N ATOM 617 CA ILE A 41 0.512 -0.874 -10.081 1.00 0.00 C ATOM 618 C ILE A 41 1.407 0.352 -9.951 1.00 0.00 C ATOM 619 O ILE A 41 0.930 1.453 -9.694 1.00 0.00 O ATOM 620 CB ILE A 41 0.396 -1.571 -8.704 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.473 -2.825 -8.813 1.00 0.00 C ATOM 622 CG2 ILE A 41 -0.180 -0.617 -7.664 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.531 -3.641 -7.539 1.00 0.00 C ATOM 0 H ILE A 41 1.419 -2.649 -10.703 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.484 -0.569 -10.403 1.00 0.00 H new ATOM 0 HB ILE A 41 1.396 -1.865 -8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.485 -2.531 -9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.090 -3.452 -9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.253 -1.127 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.472 0.251 -7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.172 -0.292 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.166 -4.513 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.474 -3.966 -7.269 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.943 -3.031 -6.735 1.00 0.00 H new ATOM 635 N ALA A 42 2.705 0.152 -10.158 1.00 0.00 N ATOM 636 CA ALA A 42 3.681 1.232 -10.054 1.00 0.00 C ATOM 637 C ALA A 42 3.334 2.365 -11.012 1.00 0.00 C ATOM 638 O ALA A 42 3.467 3.544 -10.678 1.00 0.00 O ATOM 639 CB ALA A 42 5.077 0.705 -10.338 1.00 0.00 C ATOM 0 H ALA A 42 3.107 -0.754 -10.400 1.00 0.00 H new ATOM 0 HA ALA A 42 3.655 1.625 -9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.797 1.520 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.326 -0.072 -9.616 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.111 0.289 -11.345 1.00 0.00 H new ATOM 645 N GLU A 43 2.872 1.990 -12.198 1.00 0.00 N ATOM 646 CA GLU A 43 2.412 2.947 -13.192 1.00 0.00 C ATOM 647 C GLU A 43 1.249 3.774 -12.646 1.00 0.00 C ATOM 648 O GLU A 43 1.153 4.974 -12.885 1.00 0.00 O ATOM 649 CB GLU A 43 1.969 2.210 -14.452 1.00 0.00 C ATOM 650 CG GLU A 43 1.511 3.129 -15.568 1.00 0.00 C ATOM 651 CD GLU A 43 0.703 2.396 -16.609 1.00 0.00 C ATOM 652 OE1 GLU A 43 1.298 1.880 -17.574 1.00 0.00 O ATOM 653 OE2 GLU A 43 -0.536 2.322 -16.455 1.00 0.00 O ATOM 0 H GLU A 43 2.806 1.017 -12.496 1.00 0.00 H new ATOM 0 HA GLU A 43 3.236 3.619 -13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.795 1.598 -14.814 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.156 1.530 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.913 3.938 -15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.380 3.587 -16.040 1.00 0.00 H new ATOM 660 N ILE A 44 0.375 3.125 -11.898 1.00 0.00 N ATOM 661 CA ILE A 44 -0.789 3.797 -11.346 1.00 0.00 C ATOM 662 C ILE A 44 -0.395 4.613 -10.117 1.00 0.00 C ATOM 663 O ILE A 44 -1.023 5.626 -9.803 1.00 0.00 O ATOM 664 CB ILE A 44 -1.907 2.797 -10.973 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.106 1.764 -12.089 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.213 3.536 -10.705 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.479 2.367 -13.427 1.00 0.00 C ATOM 0 H ILE A 44 0.448 2.136 -11.659 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.178 4.462 -12.117 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.606 2.273 -10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.188 1.188 -12.205 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.885 1.064 -11.788 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.990 2.818 -10.444 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.073 4.235 -9.881 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.511 4.084 -11.599 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.602 1.572 -14.163 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.414 2.919 -13.329 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.690 3.045 -13.753 1.00 0.00 H new ATOM 679 N ILE A 45 0.660 4.178 -9.434 1.00 0.00 N ATOM 680 CA ILE A 45 1.162 4.881 -8.259 1.00 0.00 C ATOM 681 C ILE A 45 1.610 6.288 -8.631 1.00 0.00 C ATOM 682 O ILE A 45 1.256 7.259 -7.957 1.00 0.00 O ATOM 683 CB ILE A 45 2.348 4.137 -7.597 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.914 2.757 -7.099 1.00 0.00 C ATOM 685 CG2 ILE A 45 2.913 4.962 -6.448 1.00 0.00 C ATOM 686 CD1 ILE A 45 3.032 1.965 -6.452 1.00 0.00 C ATOM 0 H ILE A 45 1.185 3.338 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 45 0.340 4.925 -7.544 1.00 0.00 H new ATOM 0 HB ILE A 45 3.127 3.999 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.103 2.878 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.514 2.187 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.746 4.427 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.262 5.922 -6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.136 5.127 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.650 0.998 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.834 1.812 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.417 2.514 -5.593 1.00 0.00 H new ATOM 698 N ARG A 46 2.392 6.389 -9.703 1.00 0.00 N ATOM 699 CA ARG A 46 2.864 7.675 -10.194 1.00 0.00 C ATOM 700 C ARG A 46 1.712 8.523 -10.730 1.00 0.00 C ATOM 701 O ARG A 46 1.668 9.732 -10.499 1.00 0.00 O ATOM 702 CB ARG A 46 3.940 7.473 -11.259 1.00 0.00 C ATOM 703 CG ARG A 46 3.618 6.392 -12.273 1.00 0.00 C ATOM 704 CD ARG A 46 4.658 6.322 -13.375 1.00 0.00 C ATOM 705 NE ARG A 46 4.594 7.487 -14.251 1.00 0.00 N ATOM 706 CZ ARG A 46 5.561 7.844 -15.094 1.00 0.00 C ATOM 707 NH1 ARG A 46 6.680 7.130 -15.171 1.00 0.00 N ATOM 708 NH2 ARG A 46 5.402 8.910 -15.872 1.00 0.00 N ATOM 0 H ARG A 46 2.712 5.589 -10.249 1.00 0.00 H new ATOM 0 HA ARG A 46 3.304 8.217 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.095 8.415 -11.786 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.880 7.225 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.558 5.428 -11.769 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.638 6.585 -12.710 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.652 6.253 -12.933 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.506 5.416 -13.962 1.00 0.00 H new ATOM 0 HE ARG A 46 3.754 8.065 -14.215 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.800 6.305 -14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.418 7.407 -15.818 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.540 9.453 -15.823 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.142 9.185 -16.518 1.00 0.00 H new ATOM 722 N LYS A 47 0.772 7.891 -11.426 1.00 0.00 N ATOM 723 CA LYS A 47 -0.419 8.590 -11.897 1.00 0.00 C ATOM 724 C LYS A 47 -1.180 9.173 -10.712 1.00 0.00 C ATOM 725 O LYS A 47 -1.534 10.352 -10.699 1.00 0.00 O ATOM 726 CB LYS A 47 -1.320 7.644 -12.695 1.00 0.00 C ATOM 727 CG LYS A 47 -0.700 7.189 -14.003 1.00 0.00 C ATOM 728 CD LYS A 47 -1.561 6.154 -14.708 1.00 0.00 C ATOM 729 CE LYS A 47 -0.985 5.801 -16.070 1.00 0.00 C ATOM 730 NZ LYS A 47 -1.742 4.711 -16.739 1.00 0.00 N ATOM 0 H LYS A 47 0.811 6.903 -11.675 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.110 9.402 -12.555 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.548 6.770 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.266 8.143 -12.903 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.559 8.050 -14.657 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.287 6.770 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.631 5.255 -14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.574 6.538 -14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.991 6.687 -16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.056 5.499 -15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.535 4.720 -17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.460 3.795 -16.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.761 4.855 -16.591 1.00 0.00 H new ATOM 744 N SER A 48 -1.381 8.348 -9.697 1.00 0.00 N ATOM 745 CA SER A 48 -2.064 8.771 -8.490 1.00 0.00 C ATOM 746 C SER A 48 -1.216 9.770 -7.706 1.00 0.00 C ATOM 747 O SER A 48 -1.733 10.548 -6.921 1.00 0.00 O ATOM 748 CB SER A 48 -2.382 7.558 -7.624 1.00 0.00 C ATOM 749 OG SER A 48 -3.138 6.604 -8.346 1.00 0.00 O ATOM 0 H SER A 48 -1.077 7.374 -9.688 1.00 0.00 H new ATOM 0 HA SER A 48 -2.994 9.264 -8.773 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.455 7.103 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.936 7.873 -6.740 1.00 0.00 H new ATOM 0 HG SER A 48 -2.549 6.116 -8.959 1.00 0.00 H new ATOM 755 N ASN A 49 0.094 9.742 -7.922 1.00 0.00 N ATOM 756 CA ASN A 49 1.001 10.681 -7.267 1.00 0.00 C ATOM 757 C ASN A 49 0.709 12.103 -7.726 1.00 0.00 C ATOM 758 O ASN A 49 0.793 13.053 -6.949 1.00 0.00 O ATOM 759 CB ASN A 49 2.460 10.301 -7.564 1.00 0.00 C ATOM 760 CG ASN A 49 3.461 11.339 -7.089 1.00 0.00 C ATOM 761 OD1 ASN A 49 3.870 11.335 -5.929 1.00 0.00 O ATOM 762 ND2 ASN A 49 3.886 12.206 -7.992 1.00 0.00 N ATOM 0 H ASN A 49 0.554 9.079 -8.546 1.00 0.00 H new ATOM 0 HA ASN A 49 0.845 10.631 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.683 9.347 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.579 10.157 -8.638 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.581 12.908 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.519 12.173 -8.943 1.00 0.00 H new ATOM 769 N ALA A 50 0.346 12.233 -8.991 1.00 0.00 N ATOM 770 CA ALA A 50 -0.028 13.525 -9.549 1.00 0.00 C ATOM 771 C ALA A 50 -1.478 13.871 -9.213 1.00 0.00 C ATOM 772 O ALA A 50 -1.862 15.041 -9.191 1.00 0.00 O ATOM 773 CB ALA A 50 0.186 13.528 -11.056 1.00 0.00 C ATOM 0 H ALA A 50 0.302 11.459 -9.654 1.00 0.00 H new ATOM 0 HA ALA A 50 0.610 14.287 -9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.097 14.499 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.236 13.336 -11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.428 12.751 -11.512 1.00 0.00 H new ATOM 779 N GLU A 51 -2.285 12.847 -8.962 1.00 0.00 N ATOM 780 CA GLU A 51 -3.699 13.043 -8.658 1.00 0.00 C ATOM 781 C GLU A 51 -3.926 13.437 -7.198 1.00 0.00 C ATOM 782 O GLU A 51 -4.534 14.471 -6.911 1.00 0.00 O ATOM 783 CB GLU A 51 -4.496 11.773 -8.964 1.00 0.00 C ATOM 784 CG GLU A 51 -4.497 11.386 -10.432 1.00 0.00 C ATOM 785 CD GLU A 51 -5.003 12.496 -11.325 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.180 12.888 -11.190 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.223 12.987 -12.167 1.00 0.00 O ATOM 0 H GLU A 51 -1.985 11.872 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.046 13.860 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.085 10.949 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.526 11.914 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.485 11.115 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.119 10.501 -10.570 1.00 0.00 H new ATOM 794 N LEU A 52 -3.432 12.614 -6.284 1.00 0.00 N ATOM 795 CA LEU A 52 -3.751 12.761 -4.869 1.00 0.00 C ATOM 796 C LEU A 52 -2.574 13.296 -4.065 1.00 0.00 C ATOM 797 O LEU A 52 -1.543 13.677 -4.613 1.00 0.00 O ATOM 798 CB LEU A 52 -4.211 11.410 -4.293 1.00 0.00 C ATOM 799 CG LEU A 52 -3.267 10.220 -4.528 1.00 0.00 C ATOM 800 CD1 LEU A 52 -2.030 10.301 -3.653 1.00 0.00 C ATOM 801 CD2 LEU A 52 -3.987 8.917 -4.277 1.00 0.00 C ATOM 0 H LEU A 52 -2.808 11.836 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.557 13.491 -4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.356 11.526 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.183 11.167 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.946 10.261 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.389 9.442 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.486 11.219 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.326 10.301 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.304 8.085 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.341 8.890 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.836 8.834 -4.955 1.00 0.00 H new ATOM 813 N GLY A 53 -2.752 13.300 -2.749 1.00 0.00 N ATOM 814 CA GLY A 53 -1.694 13.682 -1.845 1.00 0.00 C ATOM 815 C GLY A 53 -1.740 12.877 -0.560 1.00 0.00 C ATOM 816 O GLY A 53 -0.898 12.012 -0.327 1.00 0.00 O ATOM 0 H GLY A 53 -3.626 13.041 -2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.729 13.537 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.778 14.744 -1.613 1.00 0.00 H new ATOM 820 N ARG A 54 -2.750 13.146 0.261 1.00 0.00 N ATOM 821 CA ARG A 54 -2.897 12.488 1.559 1.00 0.00 C ATOM 822 C ARG A 54 -4.088 11.526 1.557 1.00 0.00 C ATOM 823 O ARG A 54 -4.239 10.695 2.455 1.00 0.00 O ATOM 824 CB ARG A 54 -3.050 13.565 2.643 1.00 0.00 C ATOM 825 CG ARG A 54 -3.200 13.054 4.068 1.00 0.00 C ATOM 826 CD ARG A 54 -4.654 13.061 4.512 1.00 0.00 C ATOM 827 NE ARG A 54 -4.784 13.048 5.969 1.00 0.00 N ATOM 828 CZ ARG A 54 -5.156 14.109 6.694 1.00 0.00 C ATOM 829 NH1 ARG A 54 -5.461 15.255 6.091 1.00 0.00 N ATOM 830 NH2 ARG A 54 -5.232 14.024 8.018 1.00 0.00 N ATOM 0 H ARG A 54 -3.485 13.820 0.050 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.009 11.891 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.180 14.221 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.921 14.175 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.802 12.041 4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.610 13.674 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.151 13.945 4.112 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.164 12.193 4.095 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.579 12.179 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.411 15.325 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.744 16.063 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.006 13.147 8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.516 14.836 8.566 1.00 0.00 H new ATOM 844 N LEU A 55 -4.935 11.642 0.541 1.00 0.00 N ATOM 845 CA LEU A 55 -6.097 10.773 0.420 1.00 0.00 C ATOM 846 C LEU A 55 -5.761 9.586 -0.467 1.00 0.00 C ATOM 847 O LEU A 55 -4.938 9.699 -1.375 1.00 0.00 O ATOM 848 CB LEU A 55 -7.311 11.520 -0.156 1.00 0.00 C ATOM 849 CG LEU A 55 -7.852 12.686 0.685 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.989 12.278 2.143 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.977 13.925 0.546 1.00 0.00 C ATOM 0 H LEU A 55 -4.839 12.327 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.359 10.428 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.042 11.904 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.117 10.801 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.842 12.939 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.374 13.118 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.678 11.437 2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.014 11.986 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.388 14.731 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.966 13.696 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.950 14.236 -0.498 1.00 0.00 H new ATOM 863 N GLY A 56 -6.394 8.458 -0.202 1.00 0.00 N ATOM 864 CA GLY A 56 -6.108 7.257 -0.954 1.00 0.00 C ATOM 865 C GLY A 56 -7.008 7.080 -2.155 1.00 0.00 C ATOM 866 O GLY A 56 -8.234 7.075 -2.032 1.00 0.00 O ATOM 0 H GLY A 56 -7.104 8.351 0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.070 7.282 -1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.212 6.392 -0.299 1.00 0.00 H new ATOM 870 N TYR A 57 -6.390 6.941 -3.317 1.00 0.00 N ATOM 871 CA TYR A 57 -7.108 6.646 -4.546 1.00 0.00 C ATOM 872 C TYR A 57 -6.989 5.163 -4.854 1.00 0.00 C ATOM 873 O TYR A 57 -5.929 4.568 -4.653 1.00 0.00 O ATOM 874 CB TYR A 57 -6.540 7.473 -5.706 1.00 0.00 C ATOM 875 CG TYR A 57 -7.155 7.165 -7.051 1.00 0.00 C ATOM 876 CD1 TYR A 57 -8.450 7.563 -7.356 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.433 6.478 -8.019 1.00 0.00 C ATOM 878 CE1 TYR A 57 -9.009 7.279 -8.587 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.985 6.195 -9.250 1.00 0.00 C ATOM 880 CZ TYR A 57 -8.271 6.595 -9.531 1.00 0.00 C ATOM 881 OH TYR A 57 -8.828 6.301 -10.756 1.00 0.00 O ATOM 0 H TYR A 57 -5.381 7.029 -3.434 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.159 6.907 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.685 8.531 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -5.465 7.304 -5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.028 8.102 -6.620 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.423 6.161 -7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.019 7.591 -8.809 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.410 5.661 -9.992 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.176 5.817 -11.304 1.00 0.00 H new ATOM 891 N SER A 58 -8.073 4.566 -5.319 1.00 0.00 N ATOM 892 CA SER A 58 -8.070 3.156 -5.651 1.00 0.00 C ATOM 893 C SER A 58 -7.280 2.913 -6.931 1.00 0.00 C ATOM 894 O SER A 58 -7.715 3.275 -8.025 1.00 0.00 O ATOM 895 CB SER A 58 -9.508 2.666 -5.806 1.00 0.00 C ATOM 896 OG SER A 58 -10.276 3.007 -4.662 1.00 0.00 O ATOM 0 H SER A 58 -8.964 5.037 -5.474 1.00 0.00 H new ATOM 0 HA SER A 58 -7.590 2.599 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.955 3.108 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.517 1.585 -5.948 1.00 0.00 H new ATOM 0 HG SER A 58 -11.195 2.687 -4.778 1.00 0.00 H new ATOM 902 N VAL A 59 -6.114 2.306 -6.783 1.00 0.00 N ATOM 903 CA VAL A 59 -5.248 2.026 -7.918 1.00 0.00 C ATOM 904 C VAL A 59 -5.439 0.595 -8.396 1.00 0.00 C ATOM 905 O VAL A 59 -5.263 0.293 -9.575 1.00 0.00 O ATOM 906 CB VAL A 59 -3.763 2.262 -7.571 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.560 3.681 -7.077 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.264 1.263 -6.538 1.00 0.00 C ATOM 0 H VAL A 59 -5.744 1.996 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.527 2.714 -8.716 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.180 2.115 -8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.508 3.835 -6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.861 4.383 -7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.165 3.846 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.215 1.460 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.850 1.361 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.369 0.251 -6.930 1.00 0.00 H new ATOM 918 N TYR A 60 -5.817 -0.274 -7.476 1.00 0.00 N ATOM 919 CA TYR A 60 -6.041 -1.673 -7.789 1.00 0.00 C ATOM 920 C TYR A 60 -7.416 -2.079 -7.296 1.00 0.00 C ATOM 921 O TYR A 60 -7.612 -2.297 -6.106 1.00 0.00 O ATOM 922 CB TYR A 60 -4.958 -2.537 -7.136 1.00 0.00 C ATOM 923 CG TYR A 60 -5.010 -3.995 -7.531 1.00 0.00 C ATOM 924 CD1 TYR A 60 -5.781 -4.904 -6.816 1.00 0.00 C ATOM 925 CD2 TYR A 60 -4.283 -4.461 -8.617 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.825 -6.236 -7.175 1.00 0.00 C ATOM 927 CE2 TYR A 60 -4.321 -5.791 -8.979 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.092 -6.674 -8.259 1.00 0.00 C ATOM 929 OH TYR A 60 -5.127 -8.002 -8.619 1.00 0.00 O ATOM 0 H TYR A 60 -5.976 -0.032 -6.498 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.990 -1.821 -8.868 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.980 -2.135 -7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.052 -2.462 -6.053 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.354 -4.563 -5.967 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.678 -3.772 -9.187 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.429 -6.931 -6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.747 -6.138 -9.825 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.557 -8.143 -9.403 1.00 0.00 H new ATOM 939 N GLU A 61 -8.370 -2.153 -8.200 1.00 0.00 N ATOM 940 CA GLU A 61 -9.738 -2.448 -7.819 1.00 0.00 C ATOM 941 C GLU A 61 -10.145 -3.828 -8.318 1.00 0.00 C ATOM 942 O GLU A 61 -10.340 -4.046 -9.518 1.00 0.00 O ATOM 943 CB GLU A 61 -10.670 -1.360 -8.352 1.00 0.00 C ATOM 944 CG GLU A 61 -12.100 -1.474 -7.860 1.00 0.00 C ATOM 945 CD GLU A 61 -12.895 -0.213 -8.117 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.043 0.175 -9.295 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.361 0.412 -7.145 1.00 0.00 O ATOM 0 H GLU A 61 -8.226 -2.014 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.815 -2.458 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.275 -0.386 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.668 -1.396 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.586 -2.315 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.099 -1.689 -6.791 1.00 0.00 H new ATOM 954 N ASP A 62 -10.257 -4.756 -7.386 1.00 0.00 N ATOM 955 CA ASP A 62 -10.607 -6.131 -7.687 1.00 0.00 C ATOM 956 C ASP A 62 -11.911 -6.471 -6.987 1.00 0.00 C ATOM 957 O ASP A 62 -12.328 -5.752 -6.081 1.00 0.00 O ATOM 958 CB ASP A 62 -9.483 -7.072 -7.230 1.00 0.00 C ATOM 959 CG ASP A 62 -9.843 -8.536 -7.382 1.00 0.00 C ATOM 960 OD1 ASP A 62 -9.957 -9.007 -8.528 1.00 0.00 O ATOM 961 OD2 ASP A 62 -10.044 -9.211 -6.353 1.00 0.00 O ATOM 0 H ASP A 62 -10.107 -4.576 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.735 -6.255 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.583 -6.862 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.247 -6.867 -6.186 1.00 0.00 H new ATOM 966 N ALA A 63 -12.554 -7.553 -7.401 1.00 0.00 N ATOM 967 CA ALA A 63 -13.838 -7.940 -6.835 1.00 0.00 C ATOM 968 C ALA A 63 -13.711 -8.319 -5.359 1.00 0.00 C ATOM 969 O ALA A 63 -14.702 -8.331 -4.629 1.00 0.00 O ATOM 970 CB ALA A 63 -14.443 -9.088 -7.629 1.00 0.00 C ATOM 0 H ALA A 63 -12.207 -8.179 -8.128 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.502 -7.078 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.403 -9.366 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.590 -8.777 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.770 -9.945 -7.600 1.00 0.00 H new ATOM 976 N GLN A 64 -12.497 -8.629 -4.927 1.00 0.00 N ATOM 977 CA GLN A 64 -12.250 -8.988 -3.539 1.00 0.00 C ATOM 978 C GLN A 64 -11.769 -7.782 -2.739 1.00 0.00 C ATOM 979 O GLN A 64 -12.382 -7.398 -1.741 1.00 0.00 O ATOM 980 CB GLN A 64 -11.207 -10.097 -3.464 1.00 0.00 C ATOM 981 CG GLN A 64 -11.492 -11.264 -4.384 1.00 0.00 C ATOM 982 CD GLN A 64 -10.338 -12.237 -4.443 1.00 0.00 C ATOM 983 OE1 GLN A 64 -10.290 -13.213 -3.689 1.00 0.00 O ATOM 984 NE2 GLN A 64 -9.384 -11.962 -5.316 1.00 0.00 N ATOM 0 H GLN A 64 -11.667 -8.639 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.188 -9.338 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.230 -9.682 -3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.149 -10.460 -2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.387 -11.784 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.703 -10.892 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.466 -11.144 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.566 -12.568 -5.386 1.00 0.00 H new ATOM 993 N TYR A 65 -10.671 -7.181 -3.182 1.00 0.00 N ATOM 994 CA TYR A 65 -10.043 -6.103 -2.431 1.00 0.00 C ATOM 995 C TYR A 65 -9.744 -4.911 -3.329 1.00 0.00 C ATOM 996 O TYR A 65 -9.770 -5.019 -4.554 1.00 0.00 O ATOM 997 CB TYR A 65 -8.737 -6.583 -1.789 1.00 0.00 C ATOM 998 CG TYR A 65 -8.860 -7.871 -1.007 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.238 -7.862 0.329 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.597 -9.094 -1.607 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.350 -9.039 1.045 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.708 -10.274 -0.899 1.00 0.00 C ATOM 1003 CZ TYR A 65 -9.084 -10.241 0.426 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.184 -11.413 1.139 1.00 0.00 O ATOM 0 H TYR A 65 -10.199 -7.421 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.742 -5.797 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.990 -6.718 -2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.365 -5.803 -1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.448 -6.921 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.301 -9.123 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.644 -9.017 2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.501 -11.218 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.965 -12.170 0.556 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.456 -3.780 -2.708 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.136 -2.562 -3.424 1.00 0.00 C ATOM 1016 C ILE A 66 -7.900 -1.899 -2.820 1.00 0.00 C ATOM 1017 O ILE A 66 -7.864 -1.588 -1.626 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.314 -1.568 -3.398 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.533 -2.157 -4.108 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.908 -0.256 -4.050 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.756 -1.268 -4.052 1.00 0.00 C ATOM 0 H ILE A 66 -9.438 -3.683 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.935 -2.834 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.581 -1.377 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.279 -2.346 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.774 -3.121 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.748 0.438 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.066 0.175 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.618 -0.438 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.581 -1.751 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.036 -1.099 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.533 -0.313 -4.527 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.894 -1.686 -3.651 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.659 -1.078 -3.199 1.00 0.00 C ATOM 1035 C GLY A 67 -5.645 0.418 -3.429 1.00 0.00 C ATOM 1036 O GLY A 67 -6.137 0.899 -4.447 1.00 0.00 O ATOM 0 H GLY A 67 -6.910 -1.926 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.522 -1.283 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.818 -1.533 -3.723 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.079 1.156 -2.484 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.044 2.613 -2.561 1.00 0.00 C ATOM 1042 C HIS A 68 -3.604 3.101 -2.445 1.00 0.00 C ATOM 1043 O HIS A 68 -2.871 2.667 -1.558 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.890 3.249 -1.446 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.222 2.598 -1.216 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.392 3.002 -1.828 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.564 1.562 -0.414 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.390 2.244 -1.412 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -8.912 1.364 -0.554 1.00 0.00 N ATOM 0 H HIS A 68 -4.636 0.769 -1.651 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.461 2.911 -3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.322 3.219 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.052 4.300 -1.687 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.897 0.996 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.421 2.330 -1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.459 0.650 -0.072 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.202 3.996 -3.337 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.836 4.512 -3.339 1.00 0.00 C ATOM 1060 C ALA A 69 -1.691 5.726 -2.437 1.00 0.00 C ATOM 1061 O ALA A 69 -2.405 6.714 -2.598 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.408 4.891 -4.744 1.00 0.00 C ATOM 0 H ALA A 69 -3.800 4.381 -4.068 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.197 3.715 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.387 5.273 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.453 4.012 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.075 5.660 -5.133 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.748 5.661 -1.513 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.447 6.790 -0.648 1.00 0.00 C ATOM 1070 C PHE A 70 0.989 7.246 -0.833 1.00 0.00 C ATOM 1071 O PHE A 70 1.889 6.433 -1.063 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.692 6.438 0.819 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.142 6.294 1.170 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.787 5.080 1.009 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.860 7.371 1.667 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.118 4.941 1.338 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.192 7.237 1.994 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.822 6.021 1.832 1.00 0.00 C ATOM 0 H PHE A 70 -0.175 4.835 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.114 7.605 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.177 5.506 1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.250 7.211 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.241 4.232 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.370 8.325 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.610 3.988 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.742 8.084 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.865 5.914 2.091 1.00 0.00 H new ATOM 1088 N LYS A 71 1.192 8.551 -0.767 1.00 0.00 N ATOM 1089 CA LYS A 71 2.530 9.119 -0.798 1.00 0.00 C ATOM 1090 C LYS A 71 3.132 9.103 0.599 1.00 0.00 C ATOM 1091 O LYS A 71 2.587 9.695 1.532 1.00 0.00 O ATOM 1092 CB LYS A 71 2.515 10.553 -1.337 1.00 0.00 C ATOM 1093 CG LYS A 71 2.747 10.677 -2.840 1.00 0.00 C ATOM 1094 CD LYS A 71 1.546 10.237 -3.669 1.00 0.00 C ATOM 1095 CE LYS A 71 1.557 8.741 -3.943 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.388 8.317 -4.759 1.00 0.00 N ATOM 0 H LYS A 71 0.444 9.240 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 71 3.138 8.510 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.554 11.007 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.281 11.129 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.987 11.713 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.613 10.076 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.628 10.502 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.541 10.778 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.478 8.474 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.555 8.199 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.277 7.785 -4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.088 9.157 -5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.711 7.712 -5.541 1.00 0.00 H new ATOM 1110 N LYS A 72 4.253 8.426 0.738 1.00 0.00 N ATOM 1111 CA LYS A 72 4.912 8.304 2.026 1.00 0.00 C ATOM 1112 C LYS A 72 6.199 9.115 2.022 1.00 0.00 C ATOM 1113 O LYS A 72 6.543 9.733 1.013 1.00 0.00 O ATOM 1114 CB LYS A 72 5.207 6.836 2.334 1.00 0.00 C ATOM 1115 CG LYS A 72 3.966 5.953 2.343 1.00 0.00 C ATOM 1116 CD LYS A 72 3.032 6.293 3.500 1.00 0.00 C ATOM 1117 CE LYS A 72 3.665 5.973 4.845 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.773 6.325 5.980 1.00 0.00 N ATOM 0 H LYS A 72 4.730 7.949 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 72 4.252 8.691 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.910 6.453 1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.698 6.769 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.432 6.068 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.265 4.907 2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.775 7.351 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.102 5.735 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.905 4.911 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.605 6.516 4.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.244 6.090 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.564 7.344 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.886 5.788 5.904 1.00 0.00 H new ATOM 1132 N ALA A 73 6.903 9.120 3.143 1.00 0.00 N ATOM 1133 CA ALA A 73 8.149 9.863 3.253 1.00 0.00 C ATOM 1134 C ALA A 73 9.219 9.263 2.350 1.00 0.00 C ATOM 1135 O ALA A 73 9.836 8.249 2.691 1.00 0.00 O ATOM 1136 CB ALA A 73 8.621 9.896 4.695 1.00 0.00 C ATOM 0 H ALA A 73 6.633 8.618 3.989 1.00 0.00 H new ATOM 0 HA ALA A 73 7.967 10.887 2.926 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.554 10.456 4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.865 10.378 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.783 8.878 5.048 1.00 0.00 H new ATOM 1142 N GLY A 74 9.400 9.871 1.182 1.00 0.00 N ATOM 1143 CA GLY A 74 10.382 9.399 0.223 1.00 0.00 C ATOM 1144 C GLY A 74 10.017 8.056 -0.381 1.00 0.00 C ATOM 1145 O GLY A 74 10.835 7.428 -1.052 1.00 0.00 O ATOM 0 H GLY A 74 8.877 10.693 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.486 10.134 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.353 9.320 0.713 1.00 0.00 H new ATOM 1149 N HIS A 75 8.788 7.614 -0.152 1.00 0.00 N ATOM 1150 CA HIS A 75 8.364 6.293 -0.596 1.00 0.00 C ATOM 1151 C HIS A 75 6.917 6.296 -1.058 1.00 0.00 C ATOM 1152 O HIS A 75 6.199 7.284 -0.905 1.00 0.00 O ATOM 1153 CB HIS A 75 8.542 5.266 0.525 1.00 0.00 C ATOM 1154 CG HIS A 75 9.967 4.874 0.765 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.569 4.929 2.002 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.909 4.405 -0.087 1.00 0.00 C ATOM 1157 CE1 HIS A 75 11.817 4.514 1.900 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.048 4.189 0.642 1.00 0.00 N ATOM 0 H HIS A 75 8.069 8.148 0.337 1.00 0.00 H new ATOM 0 HA HIS A 75 8.994 6.018 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.127 5.673 1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.965 4.373 0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.785 4.233 -1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.529 4.451 2.709 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.931 3.835 0.273 1.00 0.00 H new ATOM 1167 N PHE A 76 6.503 5.176 -1.621 1.00 0.00 N ATOM 1168 CA PHE A 76 5.151 5.008 -2.122 1.00 0.00 C ATOM 1169 C PHE A 76 4.587 3.692 -1.617 1.00 0.00 C ATOM 1170 O PHE A 76 5.233 2.661 -1.747 1.00 0.00 O ATOM 1171 CB PHE A 76 5.163 5.009 -3.651 1.00 0.00 C ATOM 1172 CG PHE A 76 5.611 6.308 -4.259 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.777 7.415 -4.258 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.866 6.420 -4.838 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.187 8.606 -4.822 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.278 7.609 -5.407 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.438 8.704 -5.400 1.00 0.00 C ATOM 0 H PHE A 76 7.096 4.355 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 76 4.529 5.830 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.819 4.211 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.161 4.778 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.796 7.345 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.529 5.567 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.529 9.462 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.257 7.682 -5.857 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.758 9.635 -5.845 1.00 0.00 H new ATOM 1187 N ILE A 77 3.407 3.710 -1.022 1.00 0.00 N ATOM 1188 CA ILE A 77 2.826 2.480 -0.509 1.00 0.00 C ATOM 1189 C ILE A 77 1.379 2.327 -0.961 1.00 0.00 C ATOM 1190 O ILE A 77 0.612 3.291 -0.969 1.00 0.00 O ATOM 1191 CB ILE A 77 2.903 2.415 1.033 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.357 2.525 1.498 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.282 1.123 1.550 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.521 2.476 3.003 1.00 0.00 C ATOM 0 H ILE A 77 2.840 4.546 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 77 3.412 1.656 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 77 2.339 3.255 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.934 1.715 1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.778 3.459 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.347 1.098 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.236 1.076 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.818 0.270 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.578 2.559 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.973 3.302 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.131 1.531 3.381 1.00 0.00 H new ATOM 1206 N VAL A 78 1.027 1.114 -1.364 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.331 0.798 -1.763 1.00 0.00 C ATOM 1208 C VAL A 78 -0.990 -0.080 -0.708 1.00 0.00 C ATOM 1209 O VAL A 78 -0.609 -1.237 -0.522 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.372 0.069 -3.123 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.808 -0.207 -3.542 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.351 0.880 -4.186 1.00 0.00 C ATOM 0 H VAL A 78 1.673 0.327 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.871 1.739 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 78 0.140 -0.887 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.814 -0.721 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.292 -0.833 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.348 0.735 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.311 0.350 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.130 1.852 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.391 1.020 -3.892 1.00 0.00 H new ATOM 1222 N TYR A 79 -1.959 0.478 -0.007 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.670 -0.246 1.027 1.00 0.00 C ATOM 1224 C TYR A 79 -3.925 -0.893 0.455 1.00 0.00 C ATOM 1225 O TYR A 79 -4.794 -0.210 -0.092 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.036 0.699 2.169 1.00 0.00 C ATOM 1227 CG TYR A 79 -1.841 1.265 2.905 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.175 2.386 2.429 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.385 0.682 4.080 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.088 2.909 3.101 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.299 1.200 4.760 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.347 2.314 4.267 1.00 0.00 C ATOM 1233 OH TYR A 79 1.427 2.835 4.942 1.00 0.00 O ATOM 0 H TYR A 79 -2.273 1.440 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.021 -1.032 1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.628 1.523 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.669 0.167 2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.513 2.857 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.888 -0.191 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.420 3.781 2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.042 0.735 5.673 1.00 0.00 H new ATOM 0 HH TYR A 79 1.602 2.298 5.743 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.004 -2.206 0.574 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.123 -2.966 0.058 1.00 0.00 C ATOM 1245 C PHE A 80 -6.173 -3.176 1.133 1.00 0.00 C ATOM 1246 O PHE A 80 -5.923 -3.831 2.145 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.651 -4.318 -0.469 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.781 -4.225 -1.689 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.411 -4.059 -1.572 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.336 -4.304 -2.955 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.612 -3.971 -2.695 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.541 -4.218 -4.082 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.177 -4.051 -3.952 1.00 0.00 C ATOM 0 H PHE A 80 -3.292 -2.774 1.032 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.567 -2.398 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.101 -4.832 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.522 -4.931 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.962 -3.998 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.403 -4.434 -3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.545 -3.840 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.987 -4.281 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.554 -3.983 -4.831 1.00 0.00 H new ATOM 1263 N THR A 81 -7.342 -2.616 0.908 1.00 0.00 N ATOM 1264 CA THR A 81 -8.457 -2.777 1.818 1.00 0.00 C ATOM 1265 C THR A 81 -9.535 -3.602 1.139 1.00 0.00 C ATOM 1266 O THR A 81 -9.746 -3.452 -0.060 1.00 0.00 O ATOM 1267 CB THR A 81 -9.048 -1.412 2.221 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.602 -0.759 1.069 1.00 0.00 O ATOM 1269 CG2 THR A 81 -7.982 -0.523 2.838 1.00 0.00 C ATOM 0 H THR A 81 -7.547 -2.038 0.093 1.00 0.00 H new ATOM 0 HA THR A 81 -8.099 -3.278 2.718 1.00 0.00 H new ATOM 0 HB THR A 81 -9.832 -1.585 2.958 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.351 -0.190 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.422 0.435 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.576 -1.006 3.727 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.182 -0.360 2.116 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.234 -4.474 1.869 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.317 -5.271 1.293 1.00 0.00 C ATOM 1279 C PRO A 82 -12.394 -4.364 0.717 1.00 0.00 C ATOM 1280 O PRO A 82 -12.650 -3.297 1.272 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.859 -6.074 2.482 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.367 -5.358 3.694 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.058 -4.736 3.305 1.00 0.00 C ATOM 0 HA PRO A 82 -10.985 -5.910 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.948 -6.117 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.499 -7.103 2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.080 -4.598 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.239 -6.047 4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -9.865 -3.819 3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.220 -5.407 3.494 1.00 0.00 H new ATOM 1291 N LYS A 83 -12.979 -4.760 -0.414 1.00 0.00 N ATOM 1292 CA LYS A 83 -14.037 -3.972 -1.056 1.00 0.00 C ATOM 1293 C LYS A 83 -15.072 -3.487 -0.042 1.00 0.00 C ATOM 1294 O LYS A 83 -15.897 -4.263 0.441 1.00 0.00 O ATOM 1295 CB LYS A 83 -14.749 -4.786 -2.138 1.00 0.00 C ATOM 1296 CG LYS A 83 -14.378 -4.384 -3.553 1.00 0.00 C ATOM 1297 CD LYS A 83 -15.270 -5.070 -4.573 1.00 0.00 C ATOM 1298 CE LYS A 83 -15.071 -4.500 -5.969 1.00 0.00 C ATOM 1299 NZ LYS A 83 -15.628 -3.127 -6.108 1.00 0.00 N ATOM 0 H LYS A 83 -12.740 -5.621 -0.906 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.552 -3.107 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.516 -5.841 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.826 -4.678 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.464 -3.303 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.337 -4.642 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -15.056 -6.139 -4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.313 -4.956 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.006 -4.482 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.546 -5.157 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.217 -3.076 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.208 -2.901 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.849 -2.442 -6.183 1.00 0.00 H new ATOM 1313 N ASN A 84 -15.014 -2.204 0.280 1.00 0.00 N ATOM 1314 CA ASN A 84 -15.935 -1.618 1.237 1.00 0.00 C ATOM 1315 C ASN A 84 -16.356 -0.238 0.761 1.00 0.00 C ATOM 1316 O ASN A 84 -15.530 0.556 0.308 1.00 0.00 O ATOM 1317 CB ASN A 84 -15.302 -1.544 2.639 1.00 0.00 C ATOM 1318 CG ASN A 84 -14.185 -0.516 2.758 1.00 0.00 C ATOM 1319 OD1 ASN A 84 -14.410 0.619 3.177 1.00 0.00 O ATOM 1320 ND2 ASN A 84 -12.973 -0.907 2.403 1.00 0.00 N ATOM 0 H ASN A 84 -14.336 -1.549 -0.109 1.00 0.00 H new ATOM 0 HA ASN A 84 -16.818 -2.253 1.308 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.079 -1.307 3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.908 -2.526 2.901 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.188 -0.260 2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.823 -1.856 2.060 1.00 0.00 H new ATOM 1327 N LYS A 85 -17.647 0.025 0.825 1.00 0.00 N ATOM 1328 CA LYS A 85 -18.194 1.299 0.393 1.00 0.00 C ATOM 1329 C LYS A 85 -19.316 1.710 1.335 1.00 0.00 C ATOM 1330 O LYS A 85 -20.298 0.984 1.499 1.00 0.00 O ATOM 1331 CB LYS A 85 -18.690 1.185 -1.061 1.00 0.00 C ATOM 1332 CG LYS A 85 -19.163 2.496 -1.690 1.00 0.00 C ATOM 1333 CD LYS A 85 -20.585 2.849 -1.280 1.00 0.00 C ATOM 1334 CE LYS A 85 -21.573 1.781 -1.716 1.00 0.00 C ATOM 1335 NZ LYS A 85 -22.933 2.024 -1.167 1.00 0.00 N ATOM 0 H LYS A 85 -18.343 -0.633 1.175 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.423 2.069 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.885 0.777 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -19.510 0.468 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.491 3.302 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.109 2.417 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.633 2.970 -0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -20.865 3.806 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -21.621 1.754 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -21.219 0.804 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -23.576 1.273 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -22.893 2.024 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -23.282 2.945 -1.500 1.00 0.00 H new ATOM 1349 N ASN A 86 -19.161 2.863 1.962 1.00 0.00 N ATOM 1350 CA ASN A 86 -20.152 3.356 2.907 1.00 0.00 C ATOM 1351 C ASN A 86 -20.922 4.518 2.277 1.00 0.00 C ATOM 1352 O ASN A 86 -20.764 4.797 1.092 1.00 0.00 O ATOM 1353 CB ASN A 86 -19.467 3.799 4.210 1.00 0.00 C ATOM 1354 CG ASN A 86 -20.404 3.779 5.408 1.00 0.00 C ATOM 1355 OD1 ASN A 86 -21.114 4.749 5.677 1.00 0.00 O ATOM 1356 ND2 ASN A 86 -20.406 2.677 6.142 1.00 0.00 N ATOM 0 H ASN A 86 -18.357 3.478 1.834 1.00 0.00 H new ATOM 0 HA ASN A 86 -20.854 2.557 3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.618 3.145 4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -19.071 4.806 4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -21.010 2.611 6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -19.804 1.894 5.888 1.00 0.00 H new ATOM 1363 N ARG A 87 -21.737 5.200 3.065 1.00 0.00 N ATOM 1364 CA ARG A 87 -22.552 6.300 2.561 1.00 0.00 C ATOM 1365 C ARG A 87 -21.789 7.618 2.617 1.00 0.00 C ATOM 1366 O ARG A 87 -22.396 8.678 2.788 1.00 0.00 O ATOM 1367 CB ARG A 87 -23.829 6.423 3.388 1.00 0.00 C ATOM 1368 CG ARG A 87 -24.783 5.252 3.241 1.00 0.00 C ATOM 1369 CD ARG A 87 -26.003 5.446 4.120 1.00 0.00 C ATOM 1370 NE ARG A 87 -27.023 4.427 3.898 1.00 0.00 N ATOM 1371 CZ ARG A 87 -28.286 4.561 4.294 1.00 0.00 C ATOM 1372 NH1 ARG A 87 -28.665 5.659 4.934 1.00 0.00 N ATOM 1373 NH2 ARG A 87 -29.170 3.600 4.054 1.00 0.00 N ATOM 0 H ARG A 87 -21.854 5.012 4.061 1.00 0.00 H new ATOM 0 HA ARG A 87 -22.802 6.085 1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.559 6.527 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -24.348 7.338 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -25.090 5.154 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -24.276 4.326 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -25.699 5.428 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -26.431 6.430 3.929 1.00 0.00 H new ATOM 0 HE ARG A 87 -26.755 3.569 3.415 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -27.989 6.399 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -29.633 5.763 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -28.882 2.753 3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -30.137 3.708 4.360 1.00 0.00 H new ATOM 1387 N GLU A 88 -20.470 7.543 2.439 1.00 0.00 N ATOM 1388 CA GLU A 88 -19.582 8.699 2.561 1.00 0.00 C ATOM 1389 C GLU A 88 -19.558 9.200 4.009 1.00 0.00 C ATOM 1390 O GLU A 88 -18.703 8.797 4.799 1.00 0.00 O ATOM 1391 CB GLU A 88 -20.000 9.821 1.599 1.00 0.00 C ATOM 1392 CG GLU A 88 -20.036 9.394 0.138 1.00 0.00 C ATOM 1393 CD GLU A 88 -18.661 9.099 -0.426 1.00 0.00 C ATOM 1394 OE1 GLU A 88 -18.172 7.963 -0.261 1.00 0.00 O ATOM 1395 OE2 GLU A 88 -18.070 10.010 -1.050 1.00 0.00 O ATOM 0 H GLU A 88 -19.986 6.676 2.205 1.00 0.00 H new ATOM 0 HA GLU A 88 -18.574 8.387 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.987 10.185 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -19.308 10.656 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.661 8.506 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.504 10.181 -0.453 1.00 0.00 H new ATOM 1402 N GLY A 89 -20.515 10.055 4.358 1.00 0.00 N ATOM 1403 CA GLY A 89 -20.652 10.515 5.726 1.00 0.00 C ATOM 1404 C GLY A 89 -19.513 11.408 6.175 1.00 0.00 C ATOM 1405 O GLY A 89 -19.492 12.603 5.880 1.00 0.00 O ATOM 0 H GLY A 89 -21.203 10.439 3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -21.592 11.058 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.710 9.651 6.388 1.00 0.00 H new ATOM 1409 N VAL A 90 -18.556 10.821 6.878 1.00 0.00 N ATOM 1410 CA VAL A 90 -17.447 11.573 7.451 1.00 0.00 C ATOM 1411 C VAL A 90 -16.303 11.713 6.452 1.00 0.00 C ATOM 1412 O VAL A 90 -15.162 11.327 6.719 1.00 0.00 O ATOM 1413 CB VAL A 90 -16.937 10.917 8.755 1.00 0.00 C ATOM 1414 CG1 VAL A 90 -17.953 11.098 9.871 1.00 0.00 C ATOM 1415 CG2 VAL A 90 -16.640 9.435 8.547 1.00 0.00 C ATOM 0 H VAL A 90 -18.525 9.819 7.067 1.00 0.00 H new ATOM 0 HA VAL A 90 -17.821 12.568 7.691 1.00 0.00 H new ATOM 0 HB VAL A 90 -16.008 11.412 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -17.580 10.631 10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -18.114 12.161 10.048 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -18.895 10.632 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -16.283 9.001 9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -17.549 8.922 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -15.875 9.322 7.779 1.00 0.00 H new ATOM 1425 N VAL A 91 -16.619 12.283 5.299 1.00 0.00 N ATOM 1426 CA VAL A 91 -15.639 12.463 4.240 1.00 0.00 C ATOM 1427 C VAL A 91 -14.585 13.497 4.624 1.00 0.00 C ATOM 1428 O VAL A 91 -14.878 14.490 5.296 1.00 0.00 O ATOM 1429 CB VAL A 91 -16.306 12.882 2.912 1.00 0.00 C ATOM 1430 CG1 VAL A 91 -17.155 11.751 2.365 1.00 0.00 C ATOM 1431 CG2 VAL A 91 -17.145 14.141 3.093 1.00 0.00 C ATOM 0 H VAL A 91 -17.551 12.630 5.073 1.00 0.00 H new ATOM 0 HA VAL A 91 -15.153 11.497 4.100 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.517 13.104 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -17.618 12.063 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -16.527 10.878 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -17.932 11.497 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -17.603 14.413 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -17.925 13.955 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -16.508 14.957 3.435 1.00 0.00 H new ATOM 1441 N PRO A 92 -13.334 13.246 4.229 1.00 0.00 N ATOM 1442 CA PRO A 92 -12.229 14.180 4.448 1.00 0.00 C ATOM 1443 C PRO A 92 -12.284 15.367 3.488 1.00 0.00 C ATOM 1444 O PRO A 92 -12.947 15.302 2.449 1.00 0.00 O ATOM 1445 CB PRO A 92 -10.998 13.322 4.158 1.00 0.00 C ATOM 1446 CG PRO A 92 -11.472 12.329 3.159 1.00 0.00 C ATOM 1447 CD PRO A 92 -12.888 12.013 3.550 1.00 0.00 C ATOM 0 HA PRO A 92 -12.244 14.616 5.447 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.178 13.922 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.631 12.834 5.061 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.425 12.735 2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.852 11.433 3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.505 11.787 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.940 11.148 4.211 1.00 0.00 H new ATOM 1455 N PRO A 93 -11.610 16.474 3.833 1.00 0.00 N ATOM 1456 CA PRO A 93 -11.485 17.627 2.939 1.00 0.00 C ATOM 1457 C PRO A 93 -10.810 17.237 1.627 1.00 0.00 C ATOM 1458 O PRO A 93 -9.657 16.797 1.618 1.00 0.00 O ATOM 1459 CB PRO A 93 -10.610 18.609 3.724 1.00 0.00 C ATOM 1460 CG PRO A 93 -10.737 18.187 5.148 1.00 0.00 C ATOM 1461 CD PRO A 93 -10.929 16.698 5.120 1.00 0.00 C ATOM 0 HA PRO A 93 -12.453 18.046 2.664 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.573 18.567 3.391 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.948 19.636 3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.846 18.455 5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.582 18.681 5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.978 16.168 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.531 16.353 5.960 1.00 0.00 H new ATOM 1469 N VAL A 94 -11.541 17.376 0.531 1.00 0.00 N ATOM 1470 CA VAL A 94 -11.042 16.992 -0.777 1.00 0.00 C ATOM 1471 C VAL A 94 -10.055 18.020 -1.322 1.00 0.00 C ATOM 1472 O VAL A 94 -10.298 19.227 -1.271 1.00 0.00 O ATOM 1473 CB VAL A 94 -12.198 16.793 -1.782 1.00 0.00 C ATOM 1474 CG1 VAL A 94 -13.003 15.552 -1.428 1.00 0.00 C ATOM 1475 CG2 VAL A 94 -13.103 18.018 -1.825 1.00 0.00 C ATOM 0 H VAL A 94 -12.488 17.755 0.524 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.520 16.043 -0.652 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.764 16.658 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.813 15.427 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.354 14.677 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.419 15.662 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -13.908 17.851 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -13.527 18.192 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -12.522 18.889 -2.129 1.00 0.00 H new ATOM 1485 N GLY A 95 -8.930 17.532 -1.824 1.00 0.00 N ATOM 1486 CA GLY A 95 -7.925 18.406 -2.387 1.00 0.00 C ATOM 1487 C GLY A 95 -6.525 17.925 -2.077 1.00 0.00 C ATOM 1488 O GLY A 95 -6.336 16.798 -1.615 1.00 0.00 O ATOM 0 H GLY A 95 -8.696 16.540 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.058 18.465 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.058 19.414 -1.994 1.00 0.00 H new ATOM 1492 N ILE A 96 -5.543 18.775 -2.332 1.00 0.00 N ATOM 1493 CA ILE A 96 -4.157 18.445 -2.054 1.00 0.00 C ATOM 1494 C ILE A 96 -3.750 19.035 -0.709 1.00 0.00 C ATOM 1495 O ILE A 96 -3.928 20.229 -0.465 1.00 0.00 O ATOM 1496 CB ILE A 96 -3.212 18.969 -3.158 1.00 0.00 C ATOM 1497 CG1 ILE A 96 -3.634 18.424 -4.527 1.00 0.00 C ATOM 1498 CG2 ILE A 96 -1.768 18.588 -2.854 1.00 0.00 C ATOM 1499 CD1 ILE A 96 -3.616 16.913 -4.621 1.00 0.00 C ATOM 0 H ILE A 96 -5.683 19.702 -2.733 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.070 17.359 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.282 20.057 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.639 18.780 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.971 18.833 -5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.118 18.966 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.470 19.022 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.681 17.503 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.927 16.607 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.607 16.548 -4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.301 16.494 -3.884 1.00 0.00 H new ATOM 1511 N THR A 97 -3.214 18.195 0.159 1.00 0.00 N ATOM 1512 CA THR A 97 -2.857 18.611 1.506 1.00 0.00 C ATOM 1513 C THR A 97 -1.508 19.323 1.544 1.00 0.00 C ATOM 1514 O THR A 97 -0.526 18.794 2.068 1.00 0.00 O ATOM 1515 CB THR A 97 -2.824 17.402 2.452 1.00 0.00 C ATOM 1516 OG1 THR A 97 -2.062 16.346 1.851 1.00 0.00 O ATOM 1517 CG2 THR A 97 -4.233 16.916 2.758 1.00 0.00 C ATOM 0 H THR A 97 -3.015 17.216 -0.045 1.00 0.00 H new ATOM 0 HA THR A 97 -3.622 19.314 1.836 1.00 0.00 H new ATOM 0 HB THR A 97 -2.356 17.704 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.170 16.678 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.184 16.059 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.799 17.717 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.726 16.623 1.831 1.00 0.00 H new ATOM 1525 N ASN A 98 -1.464 20.509 0.962 1.00 0.00 N ATOM 1526 CA ASN A 98 -0.275 21.340 1.014 1.00 0.00 C ATOM 1527 C ASN A 98 -0.462 22.433 2.048 1.00 0.00 C ATOM 1528 O ASN A 98 0.118 22.318 3.145 1.00 0.00 O ATOM 1529 CB ASN A 98 0.040 21.951 -0.356 1.00 0.00 C ATOM 1530 CG ASN A 98 0.764 20.983 -1.275 1.00 0.00 C ATOM 1531 OD1 ASN A 98 1.501 20.104 -0.821 1.00 0.00 O ATOM 1532 ND2 ASN A 98 0.563 21.137 -2.573 1.00 0.00 N ATOM 1533 OXT ASN A 98 -1.227 23.380 1.782 1.00 0.00 O ATOM 0 H ASN A 98 -2.242 20.919 0.446 1.00 0.00 H new ATOM 0 HA ASN A 98 0.570 20.713 1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.889 22.270 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.651 22.843 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.025 20.517 -3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.054 21.876 -2.909 1.00 0.00 H new TER 1540 ASN A 98