USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 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 28 TYR OH : rot 180:sc= 0.663 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -139:sc= 1.23 (180deg=0.648) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -167:sc= 1 (180deg=0.868) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -152:sc= 0.451 (180deg=0.125) USER MOD Single : A 1 SER OG : rot 54:sc= 0.831 USER MOD Single : A 2 GLN : amide:sc= -0.404! X(o=-0.4!,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= -0.546 (180deg=-3.02!) USER MOD Single : A 14 HIS : no HE2:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ -133:sc= -1.39 (180deg=-2.44!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -75:sc= -0.234 USER MOD Single : A 30 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-8.8!) USER MOD Single : A 33 GLN : amide:sc= -2.68 K(o=-2.7,f=-13!) USER MOD Single : A 35 THR OG1 : rot -70:sc= 0.568 USER MOD Single : A 40 ASN : amide:sc= -3.07! C(o=-3.1!,f=-12!) USER MOD Single : A 41 THR OG1 : rot -72:sc= 0.649 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.105) USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.131) USER MOD Single : A 54 LYS NZ :NH3+ -144:sc=-0.00139 (180deg=-0.0988) USER MOD Single : A 59 ASN : amide:sc=-0.00975 X(o=-0.0098,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0542 (180deg=-0.492) USER MOD Single : A 64 THR OG1 : rot -146:sc= -1.25 USER MOD Single : A 65 SER OG : rot -179:sc= 0.0124 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.997) USER MOD Single : A 70 MET CE :methyl -116:sc= -0.0166 (180deg=-1.37) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0709) USER MOD Single : A 73 TYR OH : rot -103:sc= -0.425 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= -2.3! (180deg=-3.8!) USER MOD Single : A 82 LYS NZ :NH3+ -141:sc= 0.906 (180deg=0.444) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -59:sc= 0.534 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.661 3.768 5.988 1.00 7.13 N ATOM 2 CA SER A 1 5.103 3.849 7.382 1.00 6.41 C ATOM 3 C SER A 1 5.623 5.118 8.107 1.00 4.47 C ATOM 4 O SER A 1 6.688 5.054 8.688 1.00 5.09 O ATOM 5 CB SER A 1 5.539 2.581 8.136 1.00 8.92 C ATOM 6 OG SER A 1 6.911 2.526 7.752 1.00 9.63 O ATOM 0 H1 SER A 1 4.998 3.248 5.378 1.00 7.13 H new ATOM 0 H2 SER A 1 5.797 4.728 5.612 1.00 7.13 H new ATOM 0 H3 SER A 1 6.575 3.271 6.008 1.00 7.13 H new ATOM 0 HA SER A 1 4.016 3.915 7.349 1.00 6.41 H new ATOM 0 HB2 SER A 1 5.411 2.673 9.215 1.00 8.92 H new ATOM 0 HB3 SER A 1 4.983 1.698 7.823 1.00 8.92 H new ATOM 0 HG SER A 1 7.345 3.378 7.966 1.00 9.63 H new ATOM 14 N GLN A 2 4.901 6.214 8.077 1.00 2.89 N ATOM 15 CA GLN A 2 5.399 7.457 8.770 1.00 1.18 C ATOM 16 C GLN A 2 4.753 7.789 10.130 1.00 0.84 C ATOM 17 O GLN A 2 4.942 8.876 10.639 1.00 0.61 O ATOM 18 CB GLN A 2 5.193 8.624 7.799 1.00 0.94 C ATOM 19 CG GLN A 2 3.678 8.902 7.586 1.00 3.84 C ATOM 20 CD GLN A 2 3.523 10.138 6.710 1.00 5.56 C ATOM 21 OE1 GLN A 2 4.015 10.177 5.608 1.00 6.91 O ATOM 22 NE2 GLN A 2 2.868 11.180 7.102 1.00 5.79 N ATOM 0 H GLN A 2 3.999 6.307 7.610 1.00 2.89 H new ATOM 0 HA GLN A 2 6.444 7.276 9.020 1.00 1.18 H new ATOM 0 HB2 GLN A 2 5.680 9.518 8.188 1.00 0.94 H new ATOM 0 HB3 GLN A 2 5.664 8.395 6.843 1.00 0.94 H new ATOM 0 HG2 GLN A 2 3.200 8.043 7.115 1.00 3.84 H new ATOM 0 HG3 GLN A 2 3.184 9.055 8.546 1.00 3.84 H new ATOM 0 HE21 GLN A 2 2.435 11.193 8.025 1.00 5.79 H new ATOM 0 HE22 GLN A 2 2.784 11.990 6.488 1.00 5.79 H new ATOM 31 N ALA A 3 4.017 6.854 10.676 1.00 0.88 N ATOM 32 CA ALA A 3 3.353 7.071 12.002 1.00 0.68 C ATOM 33 C ALA A 3 4.277 7.826 12.977 1.00 0.54 C ATOM 34 O ALA A 3 3.904 8.856 13.490 1.00 0.60 O ATOM 35 CB ALA A 3 2.972 5.700 12.574 1.00 0.54 C ATOM 0 H ALA A 3 3.845 5.940 10.257 1.00 0.88 H new ATOM 0 HA ALA A 3 2.463 7.686 11.866 1.00 0.68 H new ATOM 0 HB1 ALA A 3 2.486 5.831 13.541 1.00 0.54 H new ATOM 0 HB2 ALA A 3 2.288 5.197 11.890 1.00 0.54 H new ATOM 0 HB3 ALA A 3 3.870 5.095 12.699 1.00 0.54 H new ATOM 41 N GLU A 4 5.460 7.310 13.203 1.00 0.41 N ATOM 42 CA GLU A 4 6.379 8.023 14.146 1.00 0.18 C ATOM 43 C GLU A 4 6.762 9.439 13.738 1.00 0.40 C ATOM 44 O GLU A 4 7.153 10.222 14.575 1.00 0.65 O ATOM 45 CB GLU A 4 7.662 7.208 14.334 1.00 0.38 C ATOM 46 CG GLU A 4 7.316 5.709 14.690 1.00 0.83 C ATOM 47 CD GLU A 4 6.310 5.619 15.852 1.00 3.46 C ATOM 48 OE1 GLU A 4 5.139 5.902 15.634 1.00 4.78 O ATOM 49 OE2 GLU A 4 6.721 5.280 16.948 1.00 5.05 O ATOM 0 H GLU A 4 5.823 6.451 12.789 1.00 0.41 H new ATOM 0 HA GLU A 4 5.811 8.117 15.072 1.00 0.18 H new ATOM 0 HB2 GLU A 4 8.259 7.243 13.423 1.00 0.38 H new ATOM 0 HB3 GLU A 4 8.266 7.647 15.128 1.00 0.38 H new ATOM 0 HG2 GLU A 4 6.904 5.212 13.812 1.00 0.83 H new ATOM 0 HG3 GLU A 4 8.230 5.178 14.957 1.00 0.83 H new ATOM 56 N PHE A 5 6.639 9.750 12.487 1.00 0.32 N ATOM 57 CA PHE A 5 6.993 11.121 12.005 1.00 0.41 C ATOM 58 C PHE A 5 5.766 11.959 12.331 1.00 0.35 C ATOM 59 O PHE A 5 5.931 12.963 12.993 1.00 0.33 O ATOM 60 CB PHE A 5 7.227 11.110 10.520 1.00 0.37 C ATOM 61 CG PHE A 5 7.474 12.560 10.085 1.00 0.23 C ATOM 62 CD1 PHE A 5 8.687 13.205 10.263 1.00 2.41 C ATOM 63 CD2 PHE A 5 6.435 13.245 9.507 1.00 2.36 C ATOM 64 CE1 PHE A 5 8.851 14.516 9.859 1.00 2.43 C ATOM 65 CE2 PHE A 5 6.595 14.537 9.113 1.00 2.33 C ATOM 66 CZ PHE A 5 7.795 15.185 9.281 1.00 0.12 C ATOM 0 H PHE A 5 6.306 9.113 11.763 1.00 0.32 H new ATOM 0 HA PHE A 5 7.903 11.503 12.468 1.00 0.41 H new ATOM 0 HB2 PHE A 5 8.083 10.483 10.271 1.00 0.37 H new ATOM 0 HB3 PHE A 5 6.365 10.694 9.998 1.00 0.37 H new ATOM 0 HD1 PHE A 5 9.511 12.679 10.721 1.00 2.41 H new ATOM 0 HD2 PHE A 5 5.483 12.755 9.364 1.00 2.36 H new ATOM 0 HE1 PHE A 5 9.800 15.013 9.995 1.00 2.43 H new ATOM 0 HE2 PHE A 5 5.766 15.062 8.661 1.00 2.33 H new ATOM 0 HZ PHE A 5 7.909 16.211 8.962 1.00 0.12 H new ATOM 76 N ASP A 6 4.585 11.597 11.885 1.00 0.30 N ATOM 77 CA ASP A 6 3.410 12.426 12.246 1.00 0.25 C ATOM 78 C ASP A 6 3.453 12.515 13.767 1.00 0.39 C ATOM 79 O ASP A 6 3.343 13.574 14.330 1.00 0.47 O ATOM 80 CB ASP A 6 2.231 11.698 11.706 1.00 0.18 C ATOM 81 CG ASP A 6 2.311 11.711 10.202 1.00 0.08 C ATOM 82 OD1 ASP A 6 2.662 12.718 9.606 1.00 1.81 O ATOM 83 OD2 ASP A 6 1.997 10.647 9.710 1.00 1.90 O ATOM 0 H ASP A 6 4.394 10.782 11.301 1.00 0.30 H new ATOM 0 HA ASP A 6 3.381 13.439 11.846 1.00 0.25 H new ATOM 0 HB2 ASP A 6 2.216 10.673 12.076 1.00 0.18 H new ATOM 0 HB3 ASP A 6 1.308 12.171 12.041 1.00 0.18 H new ATOM 88 N LYS A 7 3.629 11.393 14.406 1.00 0.41 N ATOM 89 CA LYS A 7 3.709 11.362 15.890 1.00 0.54 C ATOM 90 C LYS A 7 4.704 12.473 16.274 1.00 0.43 C ATOM 91 O LYS A 7 4.365 13.351 17.042 1.00 0.40 O ATOM 92 CB LYS A 7 4.215 9.973 16.299 1.00 0.75 C ATOM 93 CG LYS A 7 4.521 9.845 17.819 1.00 1.33 C ATOM 94 CD LYS A 7 5.058 8.399 18.105 1.00 1.64 C ATOM 95 CE LYS A 7 3.930 7.361 18.051 1.00 0.92 C ATOM 96 NZ LYS A 7 4.536 5.998 18.160 1.00 1.78 N ATOM 0 H LYS A 7 3.722 10.483 13.955 1.00 0.41 H new ATOM 0 HA LYS A 7 2.755 11.531 16.389 1.00 0.54 H new ATOM 0 HB2 LYS A 7 3.469 9.228 16.023 1.00 0.75 H new ATOM 0 HB3 LYS A 7 5.119 9.744 15.734 1.00 0.75 H new ATOM 0 HG2 LYS A 7 5.259 10.588 18.120 1.00 1.33 H new ATOM 0 HG3 LYS A 7 3.621 10.036 18.403 1.00 1.33 H new ATOM 0 HD2 LYS A 7 5.825 8.143 17.374 1.00 1.64 H new ATOM 0 HD3 LYS A 7 5.532 8.373 19.086 1.00 1.64 H new ATOM 0 HE2 LYS A 7 3.223 7.527 18.863 1.00 0.92 H new ATOM 0 HE3 LYS A 7 3.373 7.455 17.119 1.00 0.92 H new ATOM 0 HZ1 LYS A 7 4.303 5.446 17.310 1.00 1.78 H new ATOM 0 HZ2 LYS A 7 5.569 6.083 18.246 1.00 1.78 H new ATOM 0 HZ3 LYS A 7 4.158 5.516 19.000 1.00 1.78 H new ATOM 110 N ALA A 8 5.905 12.438 15.737 1.00 0.41 N ATOM 111 CA ALA A 8 6.870 13.518 16.110 1.00 0.38 C ATOM 112 C ALA A 8 6.327 14.939 15.896 1.00 0.35 C ATOM 113 O ALA A 8 6.377 15.813 16.734 1.00 0.41 O ATOM 114 CB ALA A 8 8.106 13.259 15.285 1.00 0.35 C ATOM 0 H ALA A 8 6.247 11.735 15.081 1.00 0.41 H new ATOM 0 HA ALA A 8 7.075 13.482 17.180 1.00 0.38 H new ATOM 0 HB1 ALA A 8 8.858 14.016 15.509 1.00 0.35 H new ATOM 0 HB2 ALA A 8 8.503 12.272 15.524 1.00 0.35 H new ATOM 0 HB3 ALA A 8 7.852 13.302 14.226 1.00 0.35 H new ATOM 120 N ALA A 9 5.805 15.102 14.725 1.00 0.30 N ATOM 121 CA ALA A 9 5.222 16.403 14.288 1.00 0.25 C ATOM 122 C ALA A 9 4.089 16.875 15.206 1.00 0.28 C ATOM 123 O ALA A 9 4.100 18.006 15.662 1.00 0.28 O ATOM 124 CB ALA A 9 4.754 16.206 12.845 1.00 0.21 C ATOM 0 H ALA A 9 5.753 14.365 14.022 1.00 0.30 H new ATOM 0 HA ALA A 9 5.969 17.195 14.347 1.00 0.25 H new ATOM 0 HB1 ALA A 9 4.317 17.133 12.475 1.00 0.21 H new ATOM 0 HB2 ALA A 9 5.604 15.931 12.221 1.00 0.21 H new ATOM 0 HB3 ALA A 9 4.007 15.413 12.810 1.00 0.21 H new ATOM 130 N GLU A 10 3.161 16.002 15.483 1.00 0.33 N ATOM 131 CA GLU A 10 2.012 16.341 16.354 1.00 0.42 C ATOM 132 C GLU A 10 2.612 16.640 17.732 1.00 0.41 C ATOM 133 O GLU A 10 2.267 17.625 18.352 1.00 0.45 O ATOM 134 CB GLU A 10 1.047 15.123 16.422 1.00 0.65 C ATOM 135 CG GLU A 10 0.451 14.761 15.024 1.00 2.66 C ATOM 136 CD GLU A 10 -0.420 13.485 15.097 1.00 2.77 C ATOM 137 OE1 GLU A 10 -1.484 13.585 15.683 1.00 2.14 O ATOM 138 OE2 GLU A 10 0.037 12.487 14.561 1.00 3.88 O ATOM 0 H GLU A 10 3.155 15.045 15.131 1.00 0.33 H new ATOM 0 HA GLU A 10 1.442 17.193 15.984 1.00 0.42 H new ATOM 0 HB2 GLU A 10 1.581 14.261 16.821 1.00 0.65 H new ATOM 0 HB3 GLU A 10 0.235 15.344 17.115 1.00 0.65 H new ATOM 0 HG2 GLU A 10 -0.149 15.593 14.656 1.00 2.66 H new ATOM 0 HG3 GLU A 10 1.260 14.611 14.309 1.00 2.66 H new ATOM 145 N GLU A 11 3.505 15.803 18.200 1.00 0.44 N ATOM 146 CA GLU A 11 4.128 16.030 19.533 1.00 0.59 C ATOM 147 C GLU A 11 4.777 17.425 19.640 1.00 0.46 C ATOM 148 O GLU A 11 4.479 18.196 20.531 1.00 0.53 O ATOM 149 CB GLU A 11 5.164 14.924 19.717 1.00 0.77 C ATOM 150 CG GLU A 11 4.535 13.563 20.126 1.00 1.01 C ATOM 151 CD GLU A 11 4.123 13.485 21.596 1.00 1.22 C ATOM 152 OE1 GLU A 11 4.164 14.444 22.349 1.00 3.44 O ATOM 153 OE2 GLU A 11 3.762 12.374 21.941 1.00 0.46 O ATOM 0 H GLU A 11 3.828 14.969 17.710 1.00 0.44 H new ATOM 0 HA GLU A 11 3.371 15.999 20.317 1.00 0.59 H new ATOM 0 HB2 GLU A 11 5.720 14.796 18.788 1.00 0.77 H new ATOM 0 HB3 GLU A 11 5.882 15.229 20.478 1.00 0.77 H new ATOM 0 HG2 GLU A 11 3.660 13.377 19.504 1.00 1.01 H new ATOM 0 HG3 GLU A 11 5.249 12.767 19.917 1.00 1.01 H new ATOM 160 N VAL A 12 5.659 17.717 18.710 1.00 0.37 N ATOM 161 CA VAL A 12 6.359 19.047 18.707 1.00 0.31 C ATOM 162 C VAL A 12 5.316 20.145 18.670 1.00 0.26 C ATOM 163 O VAL A 12 5.356 21.048 19.481 1.00 0.35 O ATOM 164 CB VAL A 12 7.328 19.130 17.472 1.00 0.34 C ATOM 165 CG1 VAL A 12 6.786 19.824 16.206 1.00 0.29 C ATOM 166 CG2 VAL A 12 8.614 19.860 17.897 1.00 0.42 C ATOM 0 H VAL A 12 5.925 17.090 17.951 1.00 0.37 H new ATOM 0 HA VAL A 12 6.959 19.167 19.609 1.00 0.31 H new ATOM 0 HB VAL A 12 7.486 18.090 17.185 1.00 0.34 H new ATOM 0 HG11 VAL A 12 7.551 19.814 15.430 1.00 0.29 H new ATOM 0 HG12 VAL A 12 5.902 19.294 15.851 1.00 0.29 H new ATOM 0 HG13 VAL A 12 6.521 20.855 16.441 1.00 0.29 H new ATOM 0 HG21 VAL A 12 9.294 19.923 17.048 1.00 0.42 H new ATOM 0 HG22 VAL A 12 8.366 20.865 18.239 1.00 0.42 H new ATOM 0 HG23 VAL A 12 9.094 19.310 18.706 1.00 0.42 H new ATOM 176 N LYS A 13 4.401 20.067 17.740 1.00 0.36 N ATOM 177 CA LYS A 13 3.343 21.122 17.677 1.00 0.62 C ATOM 178 C LYS A 13 2.530 21.151 18.995 1.00 0.67 C ATOM 179 O LYS A 13 1.753 22.058 19.207 1.00 0.61 O ATOM 180 CB LYS A 13 2.480 20.813 16.423 1.00 0.93 C ATOM 181 CG LYS A 13 3.453 20.927 15.215 1.00 2.58 C ATOM 182 CD LYS A 13 2.747 20.756 13.845 1.00 3.53 C ATOM 183 CE LYS A 13 3.737 20.047 12.910 1.00 6.19 C ATOM 184 NZ LYS A 13 3.281 20.174 11.484 1.00 8.08 N ATOM 0 H LYS A 13 4.338 19.334 17.033 1.00 0.36 H new ATOM 0 HA LYS A 13 3.764 22.123 17.580 1.00 0.62 H new ATOM 0 HB2 LYS A 13 2.043 19.816 16.483 1.00 0.93 H new ATOM 0 HB3 LYS A 13 1.654 21.518 16.331 1.00 0.93 H new ATOM 0 HG2 LYS A 13 3.946 21.899 15.244 1.00 2.58 H new ATOM 0 HG3 LYS A 13 4.233 20.171 15.312 1.00 2.58 H new ATOM 0 HD2 LYS A 13 1.834 20.171 13.953 1.00 3.53 H new ATOM 0 HD3 LYS A 13 2.459 21.725 13.437 1.00 3.53 H new ATOM 0 HE2 LYS A 13 4.730 20.481 13.022 1.00 6.19 H new ATOM 0 HE3 LYS A 13 3.817 18.995 13.182 1.00 6.19 H new ATOM 0 HZ1 LYS A 13 3.822 19.517 10.887 1.00 8.08 H new ATOM 0 HZ2 LYS A 13 2.269 19.945 11.422 1.00 8.08 H new ATOM 0 HZ3 LYS A 13 3.436 21.148 11.155 1.00 8.08 H new ATOM 198 N HIS A 14 2.739 20.151 19.819 1.00 0.82 N ATOM 199 CA HIS A 14 2.053 20.033 21.149 1.00 0.88 C ATOM 200 C HIS A 14 3.060 20.134 22.331 1.00 0.56 C ATOM 201 O HIS A 14 2.725 19.716 23.424 1.00 0.61 O ATOM 202 CB HIS A 14 1.321 18.679 21.270 1.00 1.16 C ATOM 203 CG HIS A 14 0.026 18.688 20.484 1.00 1.12 C ATOM 204 ND1 HIS A 14 -0.106 18.087 19.368 1.00 1.11 N ATOM 205 CD2 HIS A 14 -1.203 19.266 20.716 1.00 1.16 C ATOM 206 CE1 HIS A 14 -1.309 18.251 18.909 1.00 1.15 C ATOM 207 NE2 HIS A 14 -2.028 18.983 19.726 1.00 1.19 N ATOM 0 H HIS A 14 3.380 19.384 19.617 1.00 0.82 H new ATOM 0 HA HIS A 14 1.344 20.859 21.203 1.00 0.88 H new ATOM 0 HB2 HIS A 14 1.966 17.879 20.905 1.00 1.16 H new ATOM 0 HB3 HIS A 14 1.112 18.467 22.319 1.00 1.16 H new ATOM 0 HD1 HIS A 14 0.628 17.554 18.902 1.00 1.11 H new ATOM 0 HD2 HIS A 14 -1.454 19.863 21.581 1.00 1.16 H new ATOM 0 HE1 HIS A 14 -1.670 17.839 17.978 1.00 1.15 H new ATOM 215 N LEU A 15 4.250 20.652 22.133 1.00 0.64 N ATOM 216 CA LEU A 15 5.193 20.742 23.305 1.00 0.99 C ATOM 217 C LEU A 15 4.756 21.805 24.313 1.00 1.27 C ATOM 218 O LEU A 15 4.230 22.840 23.955 1.00 1.42 O ATOM 219 CB LEU A 15 6.603 21.127 22.845 1.00 1.44 C ATOM 220 CG LEU A 15 7.270 19.970 22.154 1.00 1.46 C ATOM 221 CD1 LEU A 15 8.532 20.514 21.486 1.00 1.98 C ATOM 222 CD2 LEU A 15 7.679 18.900 23.177 1.00 2.01 C ATOM 0 H LEU A 15 4.605 21.006 21.245 1.00 0.64 H new ATOM 0 HA LEU A 15 5.183 19.756 23.770 1.00 0.99 H new ATOM 0 HB2 LEU A 15 6.550 21.980 22.168 1.00 1.44 H new ATOM 0 HB3 LEU A 15 7.199 21.437 23.703 1.00 1.44 H new ATOM 0 HG LEU A 15 6.589 19.520 21.431 1.00 1.46 H new ATOM 0 HD11 LEU A 15 9.049 19.704 20.971 1.00 1.98 H new ATOM 0 HD12 LEU A 15 8.259 21.286 20.767 1.00 1.98 H new ATOM 0 HD13 LEU A 15 9.190 20.940 22.243 1.00 1.98 H new ATOM 0 HD21 LEU A 15 8.160 18.069 22.662 1.00 2.01 H new ATOM 0 HD22 LEU A 15 8.374 19.332 23.897 1.00 2.01 H new ATOM 0 HD23 LEU A 15 6.793 18.539 23.699 1.00 2.01 H new ATOM 234 N LYS A 16 4.993 21.518 25.562 1.00 1.44 N ATOM 235 CA LYS A 16 4.608 22.495 26.633 1.00 1.82 C ATOM 236 C LYS A 16 5.530 23.738 26.682 1.00 1.32 C ATOM 237 O LYS A 16 5.289 24.698 27.391 1.00 1.25 O ATOM 238 CB LYS A 16 4.623 21.686 27.953 1.00 2.25 C ATOM 239 CG LYS A 16 5.930 21.826 28.782 1.00 1.31 C ATOM 240 CD LYS A 16 5.907 20.793 29.966 1.00 1.23 C ATOM 241 CE LYS A 16 4.559 20.712 30.709 1.00 2.02 C ATOM 242 NZ LYS A 16 4.086 22.099 30.969 1.00 1.76 N ATOM 0 H LYS A 16 5.432 20.659 25.892 1.00 1.44 H new ATOM 0 HA LYS A 16 3.623 22.919 26.438 1.00 1.82 H new ATOM 0 HB2 LYS A 16 3.782 22.004 28.569 1.00 2.25 H new ATOM 0 HB3 LYS A 16 4.467 20.633 27.720 1.00 2.25 H new ATOM 0 HG2 LYS A 16 6.798 21.649 28.147 1.00 1.31 H new ATOM 0 HG3 LYS A 16 6.021 22.840 29.171 1.00 1.31 H new ATOM 0 HD2 LYS A 16 6.154 19.805 29.576 1.00 1.23 H new ATOM 0 HD3 LYS A 16 6.687 21.058 30.680 1.00 1.23 H new ATOM 0 HE2 LYS A 16 3.828 20.167 30.112 1.00 2.02 H new ATOM 0 HE3 LYS A 16 4.674 20.168 31.646 1.00 2.02 H new ATOM 0 HZ1 LYS A 16 3.776 22.180 31.958 1.00 1.76 H new ATOM 0 HZ2 LYS A 16 4.862 22.769 30.793 1.00 1.76 H new ATOM 0 HZ3 LYS A 16 3.289 22.318 30.338 1.00 1.76 H new ATOM 256 N THR A 17 6.595 23.687 25.930 1.00 1.16 N ATOM 257 CA THR A 17 7.585 24.828 25.871 1.00 0.80 C ATOM 258 C THR A 17 8.188 25.002 24.458 1.00 1.07 C ATOM 259 O THR A 17 7.890 24.256 23.547 1.00 1.24 O ATOM 260 CB THR A 17 8.669 24.539 26.931 1.00 0.68 C ATOM 261 OG1 THR A 17 7.984 24.570 28.172 1.00 1.37 O ATOM 262 CG2 THR A 17 9.706 25.633 27.181 1.00 0.87 C ATOM 0 H THR A 17 6.835 22.892 25.338 1.00 1.16 H new ATOM 0 HA THR A 17 7.086 25.773 26.085 1.00 0.80 H new ATOM 0 HB THR A 17 9.166 23.632 26.586 1.00 0.68 H new ATOM 0 HG1 THR A 17 8.616 24.391 28.899 1.00 1.37 H new ATOM 0 HG21 THR A 17 10.407 25.302 27.947 1.00 0.87 H new ATOM 0 HG22 THR A 17 10.248 25.839 26.258 1.00 0.87 H new ATOM 0 HG23 THR A 17 9.204 26.540 27.517 1.00 0.87 H new ATOM 270 N LYS A 18 9.030 25.992 24.333 1.00 1.42 N ATOM 271 CA LYS A 18 9.710 26.316 23.030 1.00 2.10 C ATOM 272 C LYS A 18 11.173 25.779 22.796 1.00 2.04 C ATOM 273 O LYS A 18 12.082 26.149 23.527 1.00 2.14 O ATOM 274 CB LYS A 18 9.680 27.874 22.894 1.00 2.57 C ATOM 275 CG LYS A 18 10.634 28.549 23.914 1.00 4.96 C ATOM 276 CD LYS A 18 10.441 30.082 23.886 1.00 5.37 C ATOM 277 CE LYS A 18 11.569 30.719 24.697 1.00 5.53 C ATOM 278 NZ LYS A 18 11.299 32.180 24.823 1.00 5.37 N ATOM 0 H LYS A 18 9.287 26.613 25.100 1.00 1.42 H new ATOM 0 HA LYS A 18 9.153 25.780 22.262 1.00 2.10 H new ATOM 0 HB2 LYS A 18 9.967 28.158 21.882 1.00 2.57 H new ATOM 0 HB3 LYS A 18 8.663 28.235 23.050 1.00 2.57 H new ATOM 0 HG2 LYS A 18 10.437 28.168 24.916 1.00 4.96 H new ATOM 0 HG3 LYS A 18 11.668 28.300 23.676 1.00 4.96 H new ATOM 0 HD2 LYS A 18 10.457 30.449 22.860 1.00 5.37 H new ATOM 0 HD3 LYS A 18 9.472 30.351 24.306 1.00 5.37 H new ATOM 0 HE2 LYS A 18 11.632 30.260 25.683 1.00 5.53 H new ATOM 0 HE3 LYS A 18 12.528 30.553 24.206 1.00 5.53 H new ATOM 0 HZ1 LYS A 18 12.060 32.627 25.373 1.00 5.37 H new ATOM 0 HZ2 LYS A 18 11.259 32.608 23.876 1.00 5.37 H new ATOM 0 HZ3 LYS A 18 10.390 32.325 25.307 1.00 5.37 H new ATOM 292 N PRO A 19 11.385 24.918 21.819 1.00 1.95 N ATOM 293 CA PRO A 19 12.750 24.386 21.545 1.00 1.93 C ATOM 294 C PRO A 19 13.535 25.547 20.905 1.00 1.85 C ATOM 295 O PRO A 19 13.022 26.185 20.009 1.00 1.93 O ATOM 296 CB PRO A 19 12.514 23.198 20.610 1.00 1.99 C ATOM 297 CG PRO A 19 10.990 22.894 20.789 1.00 2.40 C ATOM 298 CD PRO A 19 10.388 24.299 20.900 1.00 1.92 C ATOM 0 HA PRO A 19 13.323 24.044 22.407 1.00 1.93 H new ATOM 0 HB2 PRO A 19 12.756 23.446 19.576 1.00 1.99 H new ATOM 0 HB3 PRO A 19 13.130 22.342 20.885 1.00 1.99 H new ATOM 0 HG2 PRO A 19 10.583 22.343 19.941 1.00 2.40 H new ATOM 0 HG3 PRO A 19 10.796 22.297 21.680 1.00 2.40 H new ATOM 0 HD2 PRO A 19 10.331 24.808 19.938 1.00 1.92 H new ATOM 0 HD3 PRO A 19 9.381 24.292 21.317 1.00 1.92 H new ATOM 306 N ALA A 20 14.721 25.802 21.396 1.00 1.78 N ATOM 307 CA ALA A 20 15.601 26.905 20.865 1.00 1.76 C ATOM 308 C ALA A 20 15.546 27.116 19.316 1.00 1.53 C ATOM 309 O ALA A 20 15.236 26.206 18.563 1.00 1.41 O ATOM 310 CB ALA A 20 17.046 26.575 21.330 1.00 1.84 C ATOM 0 H ALA A 20 15.134 25.278 22.167 1.00 1.78 H new ATOM 0 HA ALA A 20 15.236 27.853 21.262 1.00 1.76 H new ATOM 0 HB1 ALA A 20 17.729 27.345 20.971 1.00 1.84 H new ATOM 0 HB2 ALA A 20 17.079 26.540 22.419 1.00 1.84 H new ATOM 0 HB3 ALA A 20 17.346 25.608 20.927 1.00 1.84 H new ATOM 316 N ASP A 21 15.858 28.315 18.888 1.00 1.51 N ATOM 317 CA ASP A 21 15.849 28.651 17.430 1.00 1.31 C ATOM 318 C ASP A 21 16.345 27.472 16.588 1.00 1.24 C ATOM 319 O ASP A 21 15.625 26.972 15.747 1.00 1.17 O ATOM 320 CB ASP A 21 16.724 29.905 17.273 1.00 1.30 C ATOM 321 CG ASP A 21 15.945 31.126 17.769 1.00 1.63 C ATOM 322 OD1 ASP A 21 15.480 31.040 18.897 1.00 2.91 O ATOM 323 OD2 ASP A 21 15.866 32.067 16.993 1.00 2.67 O ATOM 0 H ASP A 21 16.123 29.088 19.498 1.00 1.51 H new ATOM 0 HA ASP A 21 14.840 28.851 17.068 1.00 1.31 H new ATOM 0 HB2 ASP A 21 17.648 29.792 17.841 1.00 1.30 H new ATOM 0 HB3 ASP A 21 17.006 30.038 16.229 1.00 1.30 H new ATOM 328 N GLU A 22 17.561 27.066 16.845 1.00 1.23 N ATOM 329 CA GLU A 22 18.155 25.920 16.096 1.00 1.15 C ATOM 330 C GLU A 22 17.274 24.658 16.110 1.00 1.08 C ATOM 331 O GLU A 22 17.114 24.019 15.086 1.00 0.80 O ATOM 332 CB GLU A 22 19.548 25.580 16.705 1.00 1.20 C ATOM 333 CG GLU A 22 20.586 26.740 16.569 1.00 1.25 C ATOM 334 CD GLU A 22 21.946 26.278 17.102 1.00 1.27 C ATOM 335 OE1 GLU A 22 22.522 25.445 16.424 1.00 1.25 O ATOM 336 OE2 GLU A 22 22.318 26.783 18.150 1.00 1.67 O ATOM 0 H GLU A 22 18.172 27.483 17.547 1.00 1.23 H new ATOM 0 HA GLU A 22 18.243 26.232 15.055 1.00 1.15 H new ATOM 0 HB2 GLU A 22 19.425 25.335 17.760 1.00 1.20 H new ATOM 0 HB3 GLU A 22 19.943 24.690 16.215 1.00 1.20 H new ATOM 0 HG2 GLU A 22 20.676 27.040 15.525 1.00 1.25 H new ATOM 0 HG3 GLU A 22 20.245 27.614 17.124 1.00 1.25 H new ATOM 343 N GLU A 23 16.695 24.304 17.235 1.00 1.35 N ATOM 344 CA GLU A 23 15.840 23.068 17.257 1.00 1.33 C ATOM 345 C GLU A 23 14.614 23.347 16.373 1.00 1.31 C ATOM 346 O GLU A 23 14.288 22.554 15.513 1.00 1.26 O ATOM 347 CB GLU A 23 15.452 22.771 18.744 1.00 1.31 C ATOM 348 CG GLU A 23 16.625 21.980 19.483 1.00 1.56 C ATOM 349 CD GLU A 23 16.747 20.489 19.072 1.00 2.76 C ATOM 350 OE1 GLU A 23 15.997 20.032 18.227 1.00 2.84 O ATOM 351 OE2 GLU A 23 17.620 19.856 19.650 1.00 4.53 O ATOM 0 H GLU A 23 16.773 24.803 18.121 1.00 1.35 H new ATOM 0 HA GLU A 23 16.355 22.189 16.868 1.00 1.33 H new ATOM 0 HB2 GLU A 23 15.251 23.706 19.267 1.00 1.31 H new ATOM 0 HB3 GLU A 23 14.534 22.184 18.776 1.00 1.31 H new ATOM 0 HG2 GLU A 23 17.571 22.480 19.276 1.00 1.56 H new ATOM 0 HG3 GLU A 23 16.463 22.036 20.559 1.00 1.56 H new ATOM 358 N MET A 24 13.959 24.464 16.584 1.00 1.30 N ATOM 359 CA MET A 24 12.760 24.746 15.714 1.00 1.30 C ATOM 360 C MET A 24 13.197 24.803 14.233 1.00 1.13 C ATOM 361 O MET A 24 12.491 24.293 13.380 1.00 1.05 O ATOM 362 CB MET A 24 12.106 26.064 16.201 1.00 1.29 C ATOM 363 CG MET A 24 11.217 25.638 17.393 1.00 1.55 C ATOM 364 SD MET A 24 10.123 24.225 17.080 1.00 4.44 S ATOM 365 CE MET A 24 8.675 25.070 16.403 1.00 3.27 C ATOM 0 H MET A 24 14.184 25.168 17.287 1.00 1.30 H new ATOM 0 HA MET A 24 12.017 23.952 15.790 1.00 1.30 H new ATOM 0 HB2 MET A 24 12.858 26.791 16.507 1.00 1.29 H new ATOM 0 HB3 MET A 24 11.515 26.529 15.412 1.00 1.29 H new ATOM 0 HG2 MET A 24 11.862 25.396 18.238 1.00 1.55 H new ATOM 0 HG3 MET A 24 10.606 26.490 17.692 1.00 1.55 H new ATOM 0 HE1 MET A 24 7.907 24.336 16.158 1.00 3.27 H new ATOM 0 HE2 MET A 24 8.285 25.771 17.141 1.00 3.27 H new ATOM 0 HE3 MET A 24 8.959 25.613 15.501 1.00 3.27 H new ATOM 375 N LEU A 25 14.310 25.428 13.941 1.00 1.04 N ATOM 376 CA LEU A 25 14.835 25.514 12.561 1.00 0.86 C ATOM 377 C LEU A 25 15.069 24.086 12.040 1.00 0.70 C ATOM 378 O LEU A 25 14.664 23.776 10.937 1.00 0.55 O ATOM 379 CB LEU A 25 16.131 26.337 12.654 1.00 0.94 C ATOM 380 CG LEU A 25 15.796 27.810 12.440 1.00 1.03 C ATOM 381 CD1 LEU A 25 17.017 28.632 12.841 1.00 1.07 C ATOM 382 CD2 LEU A 25 15.581 28.022 10.942 1.00 1.14 C ATOM 0 H LEU A 25 14.891 25.897 14.636 1.00 1.04 H new ATOM 0 HA LEU A 25 14.152 25.996 11.862 1.00 0.86 H new ATOM 0 HB2 LEU A 25 16.599 26.194 13.628 1.00 0.94 H new ATOM 0 HB3 LEU A 25 16.846 26.000 11.904 1.00 0.94 H new ATOM 0 HG LEU A 25 14.917 28.098 13.017 1.00 1.03 H new ATOM 0 HD11 LEU A 25 16.805 29.692 12.698 1.00 1.07 H new ATOM 0 HD12 LEU A 25 17.252 28.447 13.889 1.00 1.07 H new ATOM 0 HD13 LEU A 25 17.868 28.345 12.223 1.00 1.07 H new ATOM 0 HD21 LEU A 25 15.339 29.068 10.754 1.00 1.14 H new ATOM 0 HD22 LEU A 25 16.491 27.757 10.403 1.00 1.14 H new ATOM 0 HD23 LEU A 25 14.760 27.392 10.600 1.00 1.14 H new ATOM 394 N PHE A 26 15.680 23.269 12.871 1.00 0.75 N ATOM 395 CA PHE A 26 15.978 21.851 12.493 1.00 0.68 C ATOM 396 C PHE A 26 14.612 21.263 12.158 1.00 0.57 C ATOM 397 O PHE A 26 14.387 20.768 11.079 1.00 0.43 O ATOM 398 CB PHE A 26 16.635 21.160 13.705 1.00 0.76 C ATOM 399 CG PHE A 26 17.034 19.709 13.383 1.00 0.58 C ATOM 400 CD1 PHE A 26 16.083 18.715 13.223 1.00 0.42 C ATOM 401 CD2 PHE A 26 18.367 19.381 13.250 1.00 0.65 C ATOM 402 CE1 PHE A 26 16.462 17.419 12.937 1.00 0.31 C ATOM 403 CE2 PHE A 26 18.750 18.087 12.965 1.00 0.59 C ATOM 404 CZ PHE A 26 17.797 17.105 12.809 1.00 0.44 C ATOM 0 H PHE A 26 15.988 23.531 13.807 1.00 0.75 H new ATOM 0 HA PHE A 26 16.664 21.735 11.654 1.00 0.68 H new ATOM 0 HB2 PHE A 26 17.518 21.722 14.010 1.00 0.76 H new ATOM 0 HB3 PHE A 26 15.944 21.169 14.548 1.00 0.76 H new ATOM 0 HD1 PHE A 26 15.035 18.956 13.323 1.00 0.42 H new ATOM 0 HD2 PHE A 26 19.120 20.146 13.370 1.00 0.65 H new ATOM 0 HE1 PHE A 26 15.712 16.652 12.814 1.00 0.31 H new ATOM 0 HE2 PHE A 26 19.797 17.844 12.864 1.00 0.59 H new ATOM 0 HZ PHE A 26 18.096 16.091 12.587 1.00 0.44 H new ATOM 414 N ILE A 27 13.726 21.337 13.116 1.00 0.71 N ATOM 415 CA ILE A 27 12.334 20.810 12.922 1.00 0.68 C ATOM 416 C ILE A 27 11.830 21.442 11.624 1.00 0.55 C ATOM 417 O ILE A 27 11.914 20.802 10.610 1.00 0.40 O ATOM 418 CB ILE A 27 11.524 21.231 14.168 1.00 0.88 C ATOM 419 CG1 ILE A 27 11.994 20.390 15.398 1.00 1.31 C ATOM 420 CG2 ILE A 27 9.996 21.085 13.985 1.00 1.02 C ATOM 421 CD1 ILE A 27 11.825 18.850 15.155 1.00 1.16 C ATOM 0 H ILE A 27 13.905 21.743 14.034 1.00 0.71 H new ATOM 0 HA ILE A 27 12.257 19.727 12.831 1.00 0.68 H new ATOM 0 HB ILE A 27 11.715 22.292 14.329 1.00 0.88 H new ATOM 0 HG12 ILE A 27 13.040 20.611 15.610 1.00 1.31 H new ATOM 0 HG13 ILE A 27 11.422 20.683 16.278 1.00 1.31 H new ATOM 0 HG21 ILE A 27 9.489 21.398 14.898 1.00 1.02 H new ATOM 0 HG22 ILE A 27 9.668 21.710 13.155 1.00 1.02 H new ATOM 0 HG23 ILE A 27 9.753 20.044 13.773 1.00 1.02 H new ATOM 0 HD11 ILE A 27 12.164 18.303 16.035 1.00 1.16 H new ATOM 0 HD12 ILE A 27 10.775 18.624 14.969 1.00 1.16 H new ATOM 0 HD13 ILE A 27 12.419 18.551 14.291 1.00 1.16 H new ATOM 433 N TYR A 28 11.295 22.632 11.653 1.00 0.61 N ATOM 434 CA TYR A 28 10.817 23.282 10.378 1.00 0.55 C ATOM 435 C TYR A 28 11.503 22.767 9.087 1.00 0.40 C ATOM 436 O TYR A 28 10.853 22.239 8.207 1.00 0.41 O ATOM 437 CB TYR A 28 11.035 24.800 10.466 1.00 0.60 C ATOM 438 CG TYR A 28 10.507 25.498 9.188 1.00 0.75 C ATOM 439 CD1 TYR A 28 11.203 25.465 7.982 1.00 0.74 C ATOM 440 CD2 TYR A 28 9.302 26.172 9.231 1.00 0.94 C ATOM 441 CE1 TYR A 28 10.700 26.090 6.859 1.00 0.91 C ATOM 442 CE2 TYR A 28 8.806 26.798 8.102 1.00 1.15 C ATOM 443 CZ TYR A 28 9.504 26.755 6.922 1.00 1.13 C ATOM 444 OH TYR A 28 8.991 27.383 5.811 1.00 1.34 O ATOM 0 H TYR A 28 11.164 23.189 12.497 1.00 0.61 H new ATOM 0 HA TYR A 28 9.762 23.019 10.297 1.00 0.55 H new ATOM 0 HB2 TYR A 28 10.523 25.197 11.342 1.00 0.60 H new ATOM 0 HB3 TYR A 28 12.096 25.014 10.593 1.00 0.60 H new ATOM 0 HD1 TYR A 28 12.147 24.944 7.925 1.00 0.74 H new ATOM 0 HD2 TYR A 28 8.743 26.210 10.154 1.00 0.94 H new ATOM 0 HE1 TYR A 28 11.250 26.055 5.930 1.00 0.91 H new ATOM 0 HE2 TYR A 28 7.864 27.324 8.150 1.00 1.15 H new ATOM 0 HH TYR A 28 8.135 27.803 6.038 1.00 1.34 H new ATOM 454 N SER A 29 12.801 22.893 9.001 1.00 0.30 N ATOM 455 CA SER A 29 13.522 22.431 7.774 1.00 0.16 C ATOM 456 C SER A 29 13.235 20.952 7.489 1.00 0.17 C ATOM 457 O SER A 29 12.720 20.605 6.441 1.00 0.30 O ATOM 458 CB SER A 29 15.004 22.720 8.043 1.00 0.26 C ATOM 459 OG SER A 29 15.286 21.907 9.169 1.00 0.32 O ATOM 0 H SER A 29 13.395 23.296 9.726 1.00 0.30 H new ATOM 0 HA SER A 29 13.192 22.950 6.874 1.00 0.16 H new ATOM 0 HB2 SER A 29 15.628 22.458 7.189 1.00 0.26 H new ATOM 0 HB3 SER A 29 15.178 23.775 8.253 1.00 0.26 H new ATOM 0 HG SER A 29 14.901 22.315 9.972 1.00 0.32 H new ATOM 465 N HIS A 30 13.565 20.116 8.428 1.00 0.15 N ATOM 466 CA HIS A 30 13.326 18.664 8.252 1.00 0.17 C ATOM 467 C HIS A 30 11.839 18.328 8.157 1.00 0.26 C ATOM 468 O HIS A 30 11.523 17.375 7.489 1.00 0.30 O ATOM 469 CB HIS A 30 13.999 17.941 9.425 1.00 0.26 C ATOM 470 CG HIS A 30 15.412 17.617 8.965 1.00 0.89 C ATOM 471 ND1 HIS A 30 15.671 16.863 7.949 1.00 3.05 N ATOM 472 CD2 HIS A 30 16.646 17.996 9.447 1.00 0.88 C ATOM 473 CE1 HIS A 30 16.956 16.766 7.798 1.00 3.09 C ATOM 474 NE2 HIS A 30 17.599 17.457 8.709 1.00 1.08 N ATOM 0 H HIS A 30 13.993 20.379 9.316 1.00 0.15 H new ATOM 0 HA HIS A 30 13.756 18.332 7.307 1.00 0.17 H new ATOM 0 HB2 HIS A 30 14.013 18.571 10.315 1.00 0.26 H new ATOM 0 HB3 HIS A 30 13.456 17.033 9.686 1.00 0.26 H new ATOM 0 HD2 HIS A 30 16.809 18.638 10.300 1.00 0.88 H new ATOM 0 HE1 HIS A 30 17.435 16.189 7.021 1.00 3.09 H new ATOM 0 HE2 HIS A 30 18.608 17.556 8.822 1.00 1.08 H new ATOM 482 N TYR A 31 10.951 19.046 8.784 1.00 0.30 N ATOM 483 CA TYR A 31 9.498 18.694 8.651 1.00 0.29 C ATOM 484 C TYR A 31 9.144 19.041 7.201 1.00 0.40 C ATOM 485 O TYR A 31 8.466 18.263 6.551 1.00 0.41 O ATOM 486 CB TYR A 31 8.626 19.528 9.619 1.00 0.32 C ATOM 487 CG TYR A 31 7.138 19.155 9.405 1.00 0.24 C ATOM 488 CD1 TYR A 31 6.565 18.083 10.072 1.00 2.43 C ATOM 489 CD2 TYR A 31 6.348 19.879 8.532 1.00 2.33 C ATOM 490 CE1 TYR A 31 5.235 17.747 9.865 1.00 2.39 C ATOM 491 CE2 TYR A 31 5.023 19.538 8.333 1.00 2.35 C ATOM 492 CZ TYR A 31 4.461 18.475 8.996 1.00 0.11 C ATOM 493 OH TYR A 31 3.130 18.166 8.797 1.00 0.09 O ATOM 0 H TYR A 31 11.157 19.851 9.376 1.00 0.30 H new ATOM 0 HA TYR A 31 9.317 17.647 8.894 1.00 0.29 H new ATOM 0 HB2 TYR A 31 8.918 19.334 10.651 1.00 0.32 H new ATOM 0 HB3 TYR A 31 8.777 20.592 9.440 1.00 0.32 H new ATOM 0 HD1 TYR A 31 7.161 17.503 10.761 1.00 2.43 H new ATOM 0 HD2 TYR A 31 6.770 20.719 8.000 1.00 2.33 H new ATOM 0 HE1 TYR A 31 4.806 16.907 10.391 1.00 2.39 H new ATOM 0 HE2 TYR A 31 4.422 20.116 7.647 1.00 2.35 H new ATOM 0 HH TYR A 31 2.743 18.790 8.148 1.00 0.09 H new ATOM 503 N LYS A 32 9.609 20.176 6.730 1.00 0.47 N ATOM 504 CA LYS A 32 9.275 20.521 5.316 1.00 0.59 C ATOM 505 C LYS A 32 9.918 19.430 4.428 1.00 0.59 C ATOM 506 O LYS A 32 9.203 18.797 3.685 1.00 0.58 O ATOM 507 CB LYS A 32 9.814 21.948 5.003 1.00 0.62 C ATOM 508 CG LYS A 32 9.098 23.058 5.828 1.00 0.72 C ATOM 509 CD LYS A 32 7.556 23.024 5.586 1.00 1.14 C ATOM 510 CE LYS A 32 7.115 24.238 4.825 1.00 0.72 C ATOM 511 NZ LYS A 32 7.179 25.401 5.759 1.00 3.09 N ATOM 0 H LYS A 32 10.180 20.850 7.239 1.00 0.47 H new ATOM 0 HA LYS A 32 8.201 20.543 5.129 1.00 0.59 H new ATOM 0 HB2 LYS A 32 10.884 21.981 5.210 1.00 0.62 H new ATOM 0 HB3 LYS A 32 9.689 22.154 3.940 1.00 0.62 H new ATOM 0 HG2 LYS A 32 9.307 22.920 6.889 1.00 0.72 H new ATOM 0 HG3 LYS A 32 9.492 24.035 5.550 1.00 0.72 H new ATOM 0 HD2 LYS A 32 7.289 22.124 5.032 1.00 1.14 H new ATOM 0 HD3 LYS A 32 7.033 22.977 6.541 1.00 1.14 H new ATOM 0 HE2 LYS A 32 7.759 24.404 3.961 1.00 0.72 H new ATOM 0 HE3 LYS A 32 6.102 24.106 4.446 1.00 0.72 H new ATOM 0 HZ1 LYS A 32 6.347 26.008 5.614 1.00 3.09 H new ATOM 0 HZ2 LYS A 32 7.191 25.058 6.741 1.00 3.09 H new ATOM 0 HZ3 LYS A 32 8.044 25.948 5.573 1.00 3.09 H new ATOM 525 N GLN A 33 11.203 19.197 4.494 1.00 0.58 N ATOM 526 CA GLN A 33 11.802 18.114 3.625 1.00 0.57 C ATOM 527 C GLN A 33 11.137 16.725 3.837 1.00 0.52 C ATOM 528 O GLN A 33 10.814 16.032 2.896 1.00 0.67 O ATOM 529 CB GLN A 33 13.318 18.008 3.918 1.00 0.56 C ATOM 530 CG GLN A 33 13.936 16.778 3.174 1.00 1.35 C ATOM 531 CD GLN A 33 13.735 16.882 1.657 1.00 0.72 C ATOM 532 OE1 GLN A 33 12.930 16.222 1.048 1.00 1.85 O ATOM 533 NE2 GLN A 33 14.437 17.705 0.964 1.00 1.29 N ATOM 0 H GLN A 33 11.861 19.693 5.096 1.00 0.58 H new ATOM 0 HA GLN A 33 11.623 18.397 2.588 1.00 0.57 H new ATOM 0 HB2 GLN A 33 13.820 18.922 3.601 1.00 0.56 H new ATOM 0 HB3 GLN A 33 13.481 17.911 4.991 1.00 0.56 H new ATOM 0 HG2 GLN A 33 15.001 16.713 3.398 1.00 1.35 H new ATOM 0 HG3 GLN A 33 13.477 15.860 3.541 1.00 1.35 H new ATOM 0 HE21 GLN A 33 15.135 18.291 1.422 1.00 1.29 H new ATOM 0 HE22 GLN A 33 14.296 17.772 -0.044 1.00 1.29 H new ATOM 542 N ALA A 34 10.941 16.352 5.066 1.00 0.36 N ATOM 543 CA ALA A 34 10.315 15.040 5.389 1.00 0.30 C ATOM 544 C ALA A 34 8.927 14.910 4.724 1.00 0.29 C ATOM 545 O ALA A 34 8.617 13.845 4.228 1.00 0.33 O ATOM 546 CB ALA A 34 10.191 14.938 6.916 1.00 0.25 C ATOM 0 H ALA A 34 11.193 16.912 5.880 1.00 0.36 H new ATOM 0 HA ALA A 34 10.935 14.230 5.004 1.00 0.30 H new ATOM 0 HB1 ALA A 34 9.734 13.984 7.181 1.00 0.25 H new ATOM 0 HB2 ALA A 34 11.181 15.004 7.367 1.00 0.25 H new ATOM 0 HB3 ALA A 34 9.569 15.753 7.286 1.00 0.25 H new ATOM 552 N THR A 35 8.156 15.979 4.738 1.00 0.27 N ATOM 553 CA THR A 35 6.761 15.962 4.122 1.00 0.25 C ATOM 554 C THR A 35 6.409 16.769 2.883 1.00 0.35 C ATOM 555 O THR A 35 5.755 16.275 1.989 1.00 0.18 O ATOM 556 CB THR A 35 5.723 16.395 5.132 1.00 0.17 C ATOM 557 OG1 THR A 35 6.005 17.765 5.361 1.00 0.24 O ATOM 558 CG2 THR A 35 5.987 15.818 6.469 1.00 0.20 C ATOM 0 H THR A 35 8.426 16.872 5.150 1.00 0.27 H new ATOM 0 HA THR A 35 6.765 14.921 3.799 1.00 0.25 H new ATOM 0 HB THR A 35 4.734 16.125 4.763 1.00 0.17 H new ATOM 0 HG1 THR A 35 6.848 17.848 5.853 1.00 0.24 H new ATOM 0 HG21 THR A 35 5.220 16.152 7.167 1.00 0.20 H new ATOM 0 HG22 THR A 35 5.971 14.730 6.405 1.00 0.20 H new ATOM 0 HG23 THR A 35 6.965 16.146 6.820 1.00 0.20 H new ATOM 566 N VAL A 36 6.830 17.989 2.868 1.00 0.78 N ATOM 567 CA VAL A 36 6.545 18.894 1.706 1.00 0.97 C ATOM 568 C VAL A 36 7.567 18.527 0.610 1.00 0.99 C ATOM 569 O VAL A 36 7.313 18.597 -0.578 1.00 1.15 O ATOM 570 CB VAL A 36 6.690 20.368 2.210 1.00 0.98 C ATOM 571 CG1 VAL A 36 6.231 21.314 1.117 1.00 1.45 C ATOM 572 CG2 VAL A 36 5.728 20.603 3.393 1.00 1.17 C ATOM 0 H VAL A 36 7.371 18.418 3.619 1.00 0.78 H new ATOM 0 HA VAL A 36 5.541 18.787 1.296 1.00 0.97 H new ATOM 0 HB VAL A 36 7.729 20.537 2.492 1.00 0.98 H new ATOM 0 HG11 VAL A 36 6.329 22.343 1.462 1.00 1.45 H new ATOM 0 HG12 VAL A 36 6.845 21.169 0.228 1.00 1.45 H new ATOM 0 HG13 VAL A 36 5.188 21.111 0.874 1.00 1.45 H new ATOM 0 HG21 VAL A 36 5.828 21.630 3.745 1.00 1.17 H new ATOM 0 HG22 VAL A 36 4.702 20.429 3.068 1.00 1.17 H new ATOM 0 HG23 VAL A 36 5.973 19.916 4.203 1.00 1.17 H new ATOM 582 N GLY A 37 8.729 18.160 1.074 1.00 0.85 N ATOM 583 CA GLY A 37 9.876 17.739 0.202 1.00 0.90 C ATOM 584 C GLY A 37 10.897 18.844 0.010 1.00 0.86 C ATOM 585 O GLY A 37 11.134 19.671 0.871 1.00 0.71 O ATOM 0 H GLY A 37 8.945 18.132 2.071 1.00 0.85 H new ATOM 0 HA2 GLY A 37 10.364 16.871 0.644 1.00 0.90 H new ATOM 0 HA3 GLY A 37 9.494 17.429 -0.771 1.00 0.90 H new ATOM 589 N ASP A 38 11.508 18.783 -1.143 1.00 1.00 N ATOM 590 CA ASP A 38 12.525 19.756 -1.566 1.00 1.04 C ATOM 591 C ASP A 38 11.949 21.167 -1.282 1.00 1.03 C ATOM 592 O ASP A 38 10.748 21.324 -1.147 1.00 1.97 O ATOM 593 CB ASP A 38 12.754 19.510 -3.064 1.00 1.48 C ATOM 594 CG ASP A 38 12.787 18.056 -3.563 1.00 1.97 C ATOM 595 OD1 ASP A 38 12.582 17.089 -2.829 1.00 3.03 O ATOM 596 OD2 ASP A 38 13.032 18.017 -4.754 1.00 2.91 O ATOM 0 H ASP A 38 11.324 18.056 -1.834 1.00 1.00 H new ATOM 0 HA ASP A 38 13.476 19.665 -1.041 1.00 1.04 H new ATOM 0 HB2 ASP A 38 11.969 20.032 -3.611 1.00 1.48 H new ATOM 0 HB3 ASP A 38 13.700 19.978 -3.338 1.00 1.48 H new ATOM 601 N ILE A 39 12.750 22.193 -1.195 1.00 0.67 N ATOM 602 CA ILE A 39 12.072 23.486 -0.915 1.00 0.54 C ATOM 603 C ILE A 39 11.158 23.839 -2.109 1.00 0.77 C ATOM 604 O ILE A 39 11.530 23.914 -3.262 1.00 1.02 O ATOM 605 CB ILE A 39 13.175 24.488 -0.605 1.00 0.68 C ATOM 606 CG1 ILE A 39 12.457 25.667 0.092 1.00 0.68 C ATOM 607 CG2 ILE A 39 14.004 24.870 -1.843 1.00 0.97 C ATOM 608 CD1 ILE A 39 13.404 26.240 1.137 1.00 0.73 C ATOM 0 H ILE A 39 13.765 22.201 -1.296 1.00 0.67 H new ATOM 0 HA ILE A 39 11.403 23.467 -0.055 1.00 0.54 H new ATOM 0 HB ILE A 39 13.940 24.073 0.051 1.00 0.68 H new ATOM 0 HG12 ILE A 39 12.184 26.431 -0.636 1.00 0.68 H new ATOM 0 HG13 ILE A 39 11.533 25.328 0.560 1.00 0.68 H new ATOM 0 HG21 ILE A 39 14.774 25.587 -1.558 1.00 0.97 H new ATOM 0 HG22 ILE A 39 14.474 23.977 -2.256 1.00 0.97 H new ATOM 0 HG23 ILE A 39 13.352 25.317 -2.594 1.00 0.97 H new ATOM 0 HD11 ILE A 39 12.922 27.075 1.645 1.00 0.73 H new ATOM 0 HD12 ILE A 39 13.654 25.468 1.864 1.00 0.73 H new ATOM 0 HD13 ILE A 39 14.315 26.588 0.650 1.00 0.73 H new ATOM 620 N ASN A 40 9.947 24.059 -1.688 1.00 0.85 N ATOM 621 CA ASN A 40 8.809 24.396 -2.591 1.00 1.31 C ATOM 622 C ASN A 40 7.817 25.291 -1.826 1.00 2.24 C ATOM 623 O ASN A 40 6.657 24.995 -1.610 1.00 3.56 O ATOM 624 CB ASN A 40 8.190 23.035 -3.073 1.00 0.88 C ATOM 625 CG ASN A 40 8.125 22.031 -1.937 1.00 2.44 C ATOM 626 OD1 ASN A 40 8.143 22.396 -0.786 1.00 4.23 O ATOM 627 ND2 ASN A 40 8.038 20.762 -2.168 1.00 2.88 N ATOM 0 H ASN A 40 9.686 24.017 -0.703 1.00 0.85 H new ATOM 0 HA ASN A 40 9.114 24.962 -3.472 1.00 1.31 H new ATOM 0 HB2 ASN A 40 7.189 23.207 -3.468 1.00 0.88 H new ATOM 0 HB3 ASN A 40 8.789 22.628 -3.888 1.00 0.88 H new ATOM 0 HD21 ASN A 40 7.987 20.104 -1.390 1.00 2.88 H new ATOM 0 HD22 ASN A 40 8.020 20.418 -3.128 1.00 2.88 H new ATOM 634 N THR A 41 8.401 26.396 -1.436 1.00 1.59 N ATOM 635 CA THR A 41 7.682 27.478 -0.665 1.00 2.23 C ATOM 636 C THR A 41 7.787 28.767 -1.477 1.00 2.92 C ATOM 637 O THR A 41 6.791 29.316 -1.895 1.00 5.02 O ATOM 638 CB THR A 41 8.329 27.776 0.734 1.00 1.53 C ATOM 639 OG1 THR A 41 9.485 26.963 0.870 1.00 0.99 O ATOM 640 CG2 THR A 41 7.421 27.302 1.856 1.00 2.14 C ATOM 0 H THR A 41 9.381 26.607 -1.623 1.00 1.59 H new ATOM 0 HA THR A 41 6.659 27.138 -0.504 1.00 2.23 H new ATOM 0 HB THR A 41 8.524 28.847 0.791 1.00 1.53 H new ATOM 0 HG1 THR A 41 9.215 26.031 1.006 1.00 0.99 H new ATOM 0 HG21 THR A 41 7.887 27.518 2.817 1.00 2.14 H new ATOM 0 HG22 THR A 41 6.464 27.820 1.793 1.00 2.14 H new ATOM 0 HG23 THR A 41 7.259 26.228 1.764 1.00 2.14 H new ATOM 648 N GLU A 42 9.025 29.151 -1.633 1.00 1.84 N ATOM 649 CA GLU A 42 9.558 30.353 -2.360 1.00 2.00 C ATOM 650 C GLU A 42 10.452 31.098 -1.360 1.00 1.92 C ATOM 651 O GLU A 42 10.032 31.434 -0.269 1.00 1.95 O ATOM 652 CB GLU A 42 8.451 31.358 -2.843 1.00 2.38 C ATOM 653 CG GLU A 42 7.980 30.999 -4.298 1.00 1.61 C ATOM 654 CD GLU A 42 9.093 31.237 -5.334 1.00 1.15 C ATOM 655 OE1 GLU A 42 9.956 30.384 -5.428 1.00 1.16 O ATOM 656 OE2 GLU A 42 9.009 32.267 -5.971 1.00 2.19 O ATOM 0 H GLU A 42 9.785 28.603 -1.230 1.00 1.84 H new ATOM 0 HA GLU A 42 10.073 30.002 -3.254 1.00 2.00 H new ATOM 0 HB2 GLU A 42 7.601 31.327 -2.161 1.00 2.38 H new ATOM 0 HB3 GLU A 42 8.841 32.376 -2.821 1.00 2.38 H new ATOM 0 HG2 GLU A 42 7.669 29.955 -4.332 1.00 1.61 H new ATOM 0 HG3 GLU A 42 7.108 31.600 -4.557 1.00 1.61 H new ATOM 663 N ARG A 43 11.682 31.311 -1.737 1.00 1.89 N ATOM 664 CA ARG A 43 12.631 32.040 -0.841 1.00 1.93 C ATOM 665 C ARG A 43 12.036 33.439 -0.564 1.00 2.36 C ATOM 666 O ARG A 43 11.709 34.101 -1.526 1.00 2.70 O ATOM 667 CB ARG A 43 13.935 32.130 -1.572 1.00 1.97 C ATOM 668 CG ARG A 43 14.975 32.742 -0.663 1.00 2.16 C ATOM 669 CD ARG A 43 16.272 32.752 -1.421 1.00 2.31 C ATOM 670 NE ARG A 43 17.214 33.461 -0.518 1.00 2.91 N ATOM 671 CZ ARG A 43 18.296 32.928 -0.120 1.00 1.96 C ATOM 672 NH1 ARG A 43 19.277 32.962 -0.910 1.00 2.28 N ATOM 673 NH2 ARG A 43 18.344 32.402 1.026 1.00 2.48 N ATOM 0 H ARG A 43 12.075 31.012 -2.630 1.00 1.89 H new ATOM 0 HA ARG A 43 12.788 31.538 0.114 1.00 1.93 H new ATOM 0 HB2 ARG A 43 14.254 31.139 -1.893 1.00 1.97 H new ATOM 0 HB3 ARG A 43 13.820 32.735 -2.471 1.00 1.97 H new ATOM 0 HG2 ARG A 43 14.689 33.754 -0.376 1.00 2.16 H new ATOM 0 HG3 ARG A 43 15.071 32.165 0.257 1.00 2.16 H new ATOM 0 HD2 ARG A 43 16.614 31.740 -1.639 1.00 2.31 H new ATOM 0 HD3 ARG A 43 16.171 33.267 -2.376 1.00 2.31 H new ATOM 0 HE ARG A 43 16.985 34.405 -0.208 1.00 2.91 H new ATOM 0 HH11 ARG A 43 19.181 33.404 -1.824 1.00 2.28 H new ATOM 0 HH12 ARG A 43 20.167 32.547 -0.635 1.00 2.28 H new ATOM 0 HH21 ARG A 43 17.518 32.407 1.624 1.00 2.48 H new ATOM 0 HH22 ARG A 43 19.209 31.972 1.354 1.00 2.48 H new ATOM 687 N PRO A 44 11.913 33.860 0.674 1.00 2.36 N ATOM 688 CA PRO A 44 11.337 35.194 0.984 1.00 2.74 C ATOM 689 C PRO A 44 11.594 36.315 -0.003 1.00 2.67 C ATOM 690 O PRO A 44 10.673 36.960 -0.463 1.00 3.02 O ATOM 691 CB PRO A 44 11.833 35.482 2.414 1.00 3.18 C ATOM 692 CG PRO A 44 12.758 34.299 2.782 1.00 1.92 C ATOM 693 CD PRO A 44 12.342 33.127 1.884 1.00 1.98 C ATOM 0 HA PRO A 44 10.251 35.159 0.900 1.00 2.74 H new ATOM 0 HB2 PRO A 44 12.372 36.429 2.458 1.00 3.18 H new ATOM 0 HB3 PRO A 44 10.998 35.557 3.110 1.00 3.18 H new ATOM 0 HG2 PRO A 44 13.804 34.559 2.621 1.00 1.92 H new ATOM 0 HG3 PRO A 44 12.653 34.037 3.835 1.00 1.92 H new ATOM 0 HD2 PRO A 44 13.167 32.443 1.685 1.00 1.98 H new ATOM 0 HD3 PRO A 44 11.536 32.536 2.319 1.00 1.98 H new ATOM 701 N GLY A 45 12.831 36.544 -0.300 1.00 2.52 N ATOM 702 CA GLY A 45 13.192 37.636 -1.283 1.00 2.39 C ATOM 703 C GLY A 45 13.242 38.904 -0.446 1.00 2.04 C ATOM 704 O GLY A 45 12.976 38.768 0.719 1.00 3.86 O ATOM 0 H GLY A 45 13.624 36.032 0.086 1.00 2.52 H new ATOM 0 HA2 GLY A 45 14.152 37.438 -1.761 1.00 2.39 H new ATOM 0 HA3 GLY A 45 12.451 37.715 -2.078 1.00 2.39 H new ATOM 708 N MET A 46 13.533 40.070 -0.971 1.00 0.28 N ATOM 709 CA MET A 46 13.585 41.341 -0.126 1.00 0.90 C ATOM 710 C MET A 46 12.899 41.223 1.270 1.00 0.47 C ATOM 711 O MET A 46 13.479 41.574 2.277 1.00 0.63 O ATOM 712 CB MET A 46 12.943 42.458 -0.975 1.00 1.97 C ATOM 713 CG MET A 46 13.056 43.813 -0.244 1.00 3.98 C ATOM 714 SD MET A 46 12.728 45.286 -1.243 1.00 6.22 S ATOM 715 CE MET A 46 14.381 45.433 -1.970 1.00 7.92 C ATOM 0 H MET A 46 13.742 40.213 -1.959 1.00 0.28 H new ATOM 0 HA MET A 46 14.625 41.556 0.118 1.00 0.90 H new ATOM 0 HB2 MET A 46 13.437 42.517 -1.945 1.00 1.97 H new ATOM 0 HB3 MET A 46 11.895 42.225 -1.164 1.00 1.97 H new ATOM 0 HG2 MET A 46 12.363 43.808 0.597 1.00 3.98 H new ATOM 0 HG3 MET A 46 14.061 43.896 0.171 1.00 3.98 H new ATOM 0 HE1 MET A 46 14.410 46.295 -2.637 1.00 7.92 H new ATOM 0 HE2 MET A 46 15.117 45.563 -1.177 1.00 7.92 H new ATOM 0 HE3 MET A 46 14.612 44.530 -2.535 1.00 7.92 H new ATOM 725 N LEU A 47 11.678 40.744 1.264 1.00 1.65 N ATOM 726 CA LEU A 47 10.844 40.524 2.496 1.00 2.23 C ATOM 727 C LEU A 47 11.663 39.947 3.674 1.00 1.57 C ATOM 728 O LEU A 47 11.532 40.402 4.791 1.00 1.82 O ATOM 729 CB LEU A 47 9.705 39.524 2.150 1.00 4.44 C ATOM 730 CG LEU A 47 8.465 40.119 1.451 1.00 5.86 C ATOM 731 CD1 LEU A 47 7.603 40.848 2.502 1.00 5.89 C ATOM 732 CD2 LEU A 47 8.876 41.094 0.339 1.00 6.64 C ATOM 0 H LEU A 47 11.197 40.481 0.404 1.00 1.65 H new ATOM 0 HA LEU A 47 10.453 41.492 2.808 1.00 2.23 H new ATOM 0 HB2 LEU A 47 10.117 38.743 1.511 1.00 4.44 H new ATOM 0 HB3 LEU A 47 9.380 39.042 3.072 1.00 4.44 H new ATOM 0 HG LEU A 47 7.892 39.312 0.993 1.00 5.86 H new ATOM 0 HD11 LEU A 47 6.723 41.273 2.019 1.00 5.89 H new ATOM 0 HD12 LEU A 47 7.290 40.141 3.270 1.00 5.89 H new ATOM 0 HD13 LEU A 47 8.186 41.646 2.961 1.00 5.89 H new ATOM 0 HD21 LEU A 47 7.984 41.499 -0.138 1.00 6.64 H new ATOM 0 HD22 LEU A 47 9.460 41.909 0.767 1.00 6.64 H new ATOM 0 HD23 LEU A 47 9.476 40.568 -0.403 1.00 6.64 H new ATOM 744 N ASP A 48 12.462 38.966 3.328 1.00 1.60 N ATOM 745 CA ASP A 48 13.373 38.192 4.228 1.00 2.15 C ATOM 746 C ASP A 48 13.247 38.551 5.714 1.00 0.83 C ATOM 747 O ASP A 48 13.869 39.473 6.197 1.00 0.72 O ATOM 748 CB ASP A 48 14.809 38.438 3.703 1.00 3.28 C ATOM 749 CG ASP A 48 15.078 37.934 2.283 1.00 4.19 C ATOM 750 OD1 ASP A 48 14.627 36.841 1.978 1.00 4.43 O ATOM 751 OD2 ASP A 48 15.746 38.679 1.594 1.00 5.50 O ATOM 0 H ASP A 48 12.519 38.645 2.361 1.00 1.60 H new ATOM 0 HA ASP A 48 13.099 37.137 4.195 1.00 2.15 H new ATOM 0 HB2 ASP A 48 15.013 39.508 3.736 1.00 3.28 H new ATOM 0 HB3 ASP A 48 15.514 37.958 4.382 1.00 3.28 H new ATOM 756 N PHE A 49 12.484 37.817 6.474 1.00 0.78 N ATOM 757 CA PHE A 49 12.305 38.122 7.933 1.00 1.19 C ATOM 758 C PHE A 49 12.363 36.727 8.589 1.00 1.25 C ATOM 759 O PHE A 49 12.812 35.832 7.905 1.00 1.39 O ATOM 760 CB PHE A 49 10.919 38.865 8.143 1.00 2.32 C ATOM 761 CG PHE A 49 9.653 38.288 7.448 1.00 3.96 C ATOM 762 CD1 PHE A 49 9.551 38.271 6.070 1.00 3.66 C ATOM 763 CD2 PHE A 49 8.579 37.816 8.188 1.00 6.29 C ATOM 764 CE1 PHE A 49 8.410 37.805 5.446 1.00 5.35 C ATOM 765 CE2 PHE A 49 7.433 37.347 7.561 1.00 8.00 C ATOM 766 CZ PHE A 49 7.351 37.344 6.185 1.00 7.45 C ATOM 0 H PHE A 49 11.965 37.003 6.145 1.00 0.78 H new ATOM 0 HA PHE A 49 13.052 38.788 8.365 1.00 1.19 H new ATOM 0 HB2 PHE A 49 10.721 38.901 9.214 1.00 2.32 H new ATOM 0 HB3 PHE A 49 11.041 39.895 7.807 1.00 2.32 H new ATOM 0 HD1 PHE A 49 10.376 38.628 5.471 1.00 3.66 H new ATOM 0 HD2 PHE A 49 8.635 37.813 9.267 1.00 6.29 H new ATOM 0 HE1 PHE A 49 8.352 37.804 4.368 1.00 5.35 H new ATOM 0 HE2 PHE A 49 6.605 36.984 8.152 1.00 8.00 H new ATOM 0 HZ PHE A 49 6.460 36.982 5.693 1.00 7.45 H new ATOM 776 N LYS A 50 11.957 36.537 9.819 1.00 1.15 N ATOM 777 CA LYS A 50 11.989 35.176 10.501 1.00 1.23 C ATOM 778 C LYS A 50 11.781 33.900 9.605 1.00 1.30 C ATOM 779 O LYS A 50 12.122 32.794 9.977 1.00 1.44 O ATOM 780 CB LYS A 50 10.919 35.199 11.642 1.00 1.28 C ATOM 781 CG LYS A 50 11.147 36.375 12.640 1.00 1.52 C ATOM 782 CD LYS A 50 12.537 36.248 13.341 1.00 1.10 C ATOM 783 CE LYS A 50 12.835 37.485 14.189 1.00 3.10 C ATOM 784 NZ LYS A 50 11.866 37.543 15.331 1.00 3.01 N ATOM 0 H LYS A 50 11.591 37.284 10.409 1.00 1.15 H new ATOM 0 HA LYS A 50 13.013 35.057 10.854 1.00 1.23 H new ATOM 0 HB2 LYS A 50 9.925 35.284 11.204 1.00 1.28 H new ATOM 0 HB3 LYS A 50 10.948 34.254 12.184 1.00 1.28 H new ATOM 0 HG2 LYS A 50 11.088 37.325 12.109 1.00 1.52 H new ATOM 0 HG3 LYS A 50 10.356 36.380 13.390 1.00 1.52 H new ATOM 0 HD2 LYS A 50 12.551 35.358 13.971 1.00 1.10 H new ATOM 0 HD3 LYS A 50 13.317 36.120 12.590 1.00 1.10 H new ATOM 0 HE2 LYS A 50 13.857 37.445 14.565 1.00 3.10 H new ATOM 0 HE3 LYS A 50 12.754 38.386 13.581 1.00 3.10 H new ATOM 0 HZ1 LYS A 50 12.165 38.279 16.003 1.00 3.01 H new ATOM 0 HZ2 LYS A 50 10.917 37.768 14.970 1.00 3.01 H new ATOM 0 HZ3 LYS A 50 11.843 36.622 15.814 1.00 3.01 H new ATOM 798 N GLY A 51 11.237 34.090 8.431 1.00 1.34 N ATOM 799 CA GLY A 51 10.964 32.984 7.452 1.00 1.56 C ATOM 800 C GLY A 51 12.219 32.669 6.622 1.00 1.22 C ATOM 801 O GLY A 51 12.427 31.536 6.240 1.00 1.17 O ATOM 0 H GLY A 51 10.956 35.010 8.092 1.00 1.34 H new ATOM 0 HA2 GLY A 51 10.642 32.090 7.986 1.00 1.56 H new ATOM 0 HA3 GLY A 51 10.147 33.271 6.790 1.00 1.56 H new ATOM 805 N LYS A 52 13.053 33.633 6.339 1.00 1.15 N ATOM 806 CA LYS A 52 14.273 33.303 5.537 1.00 1.17 C ATOM 807 C LYS A 52 15.093 32.228 6.280 1.00 0.83 C ATOM 808 O LYS A 52 15.537 31.309 5.634 1.00 0.94 O ATOM 809 CB LYS A 52 15.064 34.603 5.322 1.00 1.45 C ATOM 810 CG LYS A 52 16.274 34.272 4.393 1.00 2.61 C ATOM 811 CD LYS A 52 17.039 35.568 3.997 1.00 2.98 C ATOM 812 CE LYS A 52 17.410 36.417 5.222 1.00 2.80 C ATOM 813 NZ LYS A 52 18.326 35.603 6.090 1.00 2.83 N ATOM 0 H LYS A 52 12.951 34.609 6.617 1.00 1.15 H new ATOM 0 HA LYS A 52 14.016 32.892 4.561 1.00 1.17 H new ATOM 0 HB2 LYS A 52 14.431 35.366 4.869 1.00 1.45 H new ATOM 0 HB3 LYS A 52 15.411 35.002 6.275 1.00 1.45 H new ATOM 0 HG2 LYS A 52 16.951 33.586 4.901 1.00 2.61 H new ATOM 0 HG3 LYS A 52 15.921 33.764 3.495 1.00 2.61 H new ATOM 0 HD2 LYS A 52 17.945 35.302 3.453 1.00 2.98 H new ATOM 0 HD3 LYS A 52 16.423 36.159 3.320 1.00 2.98 H new ATOM 0 HE2 LYS A 52 17.899 37.340 4.912 1.00 2.80 H new ATOM 0 HE3 LYS A 52 16.514 36.701 5.774 1.00 2.80 H new ATOM 0 HZ1 LYS A 52 18.739 36.212 6.825 1.00 2.83 H new ATOM 0 HZ2 LYS A 52 17.787 34.835 6.539 1.00 2.83 H new ATOM 0 HZ3 LYS A 52 19.087 35.198 5.508 1.00 2.83 H new ATOM 827 N ALA A 53 15.273 32.326 7.581 1.00 0.48 N ATOM 828 CA ALA A 53 16.071 31.265 8.284 1.00 0.39 C ATOM 829 C ALA A 53 15.368 29.940 7.908 1.00 0.27 C ATOM 830 O ALA A 53 15.956 29.060 7.329 1.00 0.42 O ATOM 831 CB ALA A 53 16.014 31.581 9.781 1.00 0.37 C ATOM 0 H ALA A 53 14.912 33.074 8.173 1.00 0.48 H new ATOM 0 HA ALA A 53 17.124 31.208 8.009 1.00 0.39 H new ATOM 0 HB1 ALA A 53 16.583 30.833 10.333 1.00 0.37 H new ATOM 0 HB2 ALA A 53 16.442 32.567 9.961 1.00 0.37 H new ATOM 0 HB3 ALA A 53 14.977 31.568 10.116 1.00 0.37 H new ATOM 837 N LYS A 54 14.122 29.842 8.259 1.00 0.29 N ATOM 838 CA LYS A 54 13.330 28.615 7.930 1.00 0.47 C ATOM 839 C LYS A 54 13.548 28.112 6.460 1.00 0.40 C ATOM 840 O LYS A 54 13.883 26.962 6.200 1.00 0.35 O ATOM 841 CB LYS A 54 11.852 28.966 8.176 1.00 0.87 C ATOM 842 CG LYS A 54 11.579 29.453 9.616 1.00 2.49 C ATOM 843 CD LYS A 54 11.949 28.359 10.638 1.00 5.05 C ATOM 844 CE LYS A 54 11.240 28.664 11.937 1.00 7.01 C ATOM 845 NZ LYS A 54 11.641 27.638 12.946 1.00 9.59 N ATOM 0 H LYS A 54 13.607 30.562 8.765 1.00 0.29 H new ATOM 0 HA LYS A 54 13.661 27.791 8.562 1.00 0.47 H new ATOM 0 HB2 LYS A 54 11.546 29.740 7.472 1.00 0.87 H new ATOM 0 HB3 LYS A 54 11.237 28.089 7.972 1.00 0.87 H new ATOM 0 HG2 LYS A 54 12.157 30.356 9.816 1.00 2.49 H new ATOM 0 HG3 LYS A 54 10.527 29.717 9.723 1.00 2.49 H new ATOM 0 HD2 LYS A 54 11.655 27.377 10.266 1.00 5.05 H new ATOM 0 HD3 LYS A 54 13.028 28.332 10.791 1.00 5.05 H new ATOM 0 HE2 LYS A 54 11.502 29.662 12.287 1.00 7.01 H new ATOM 0 HE3 LYS A 54 10.160 28.651 11.792 1.00 7.01 H new ATOM 0 HZ1 LYS A 54 10.830 27.417 13.558 1.00 9.59 H new ATOM 0 HZ2 LYS A 54 11.952 26.774 12.458 1.00 9.59 H new ATOM 0 HZ3 LYS A 54 12.421 28.008 13.526 1.00 9.59 H new ATOM 859 N TRP A 55 13.388 29.034 5.539 1.00 0.49 N ATOM 860 CA TRP A 55 13.539 28.721 4.095 1.00 0.62 C ATOM 861 C TRP A 55 14.916 28.194 3.829 1.00 0.56 C ATOM 862 O TRP A 55 15.082 27.072 3.414 1.00 0.52 O ATOM 863 CB TRP A 55 13.315 29.991 3.225 1.00 0.80 C ATOM 864 CG TRP A 55 13.137 29.539 1.752 1.00 0.87 C ATOM 865 CD1 TRP A 55 11.967 29.152 1.140 1.00 0.95 C ATOM 866 CD2 TRP A 55 14.147 29.422 0.861 1.00 0.92 C ATOM 867 NE1 TRP A 55 12.361 28.825 -0.082 1.00 0.97 N ATOM 868 CE2 TRP A 55 13.646 28.954 -0.343 1.00 0.97 C ATOM 869 CE3 TRP A 55 15.510 29.671 0.982 1.00 0.98 C ATOM 870 CZ2 TRP A 55 14.480 28.737 -1.427 1.00 1.01 C ATOM 871 CZ3 TRP A 55 16.362 29.456 -0.094 1.00 1.10 C ATOM 872 CH2 TRP A 55 15.847 28.989 -1.302 1.00 1.12 C ATOM 0 H TRP A 55 13.155 30.007 5.739 1.00 0.49 H new ATOM 0 HA TRP A 55 12.792 27.972 3.834 1.00 0.62 H new ATOM 0 HB2 TRP A 55 12.434 30.535 3.565 1.00 0.80 H new ATOM 0 HB3 TRP A 55 14.164 30.669 3.315 1.00 0.80 H new ATOM 0 HD1 TRP A 55 10.970 29.122 1.555 1.00 0.95 H new ATOM 0 HE1 TRP A 55 11.703 28.490 -0.785 1.00 0.97 H new ATOM 0 HE3 TRP A 55 15.908 30.034 1.918 1.00 0.98 H new ATOM 0 HZ2 TRP A 55 14.076 28.376 -2.361 1.00 1.01 H new ATOM 0 HZ3 TRP A 55 17.420 29.650 0.005 1.00 1.10 H new ATOM 0 HH2 TRP A 55 16.506 28.822 -2.141 1.00 1.12 H new ATOM 883 N ASP A 56 15.869 29.023 4.092 1.00 0.60 N ATOM 884 CA ASP A 56 17.294 28.645 3.876 1.00 0.69 C ATOM 885 C ASP A 56 17.576 27.286 4.562 1.00 0.62 C ATOM 886 O ASP A 56 18.080 26.370 3.948 1.00 0.73 O ATOM 887 CB ASP A 56 18.140 29.802 4.443 1.00 0.75 C ATOM 888 CG ASP A 56 18.144 31.016 3.525 1.00 0.85 C ATOM 889 OD1 ASP A 56 17.093 31.556 3.212 1.00 2.92 O ATOM 890 OD2 ASP A 56 19.258 31.359 3.174 1.00 1.45 O ATOM 0 H ASP A 56 15.727 29.966 4.454 1.00 0.60 H new ATOM 0 HA ASP A 56 17.542 28.506 2.824 1.00 0.69 H new ATOM 0 HB2 ASP A 56 17.751 30.089 5.420 1.00 0.75 H new ATOM 0 HB3 ASP A 56 19.164 29.460 4.595 1.00 0.75 H new ATOM 895 N ALA A 57 17.218 27.195 5.812 1.00 0.46 N ATOM 896 CA ALA A 57 17.401 25.975 6.644 1.00 0.46 C ATOM 897 C ALA A 57 16.790 24.761 5.920 1.00 0.42 C ATOM 898 O ALA A 57 17.271 23.651 6.016 1.00 0.44 O ATOM 899 CB ALA A 57 16.724 26.257 7.977 1.00 0.41 C ATOM 0 H ALA A 57 16.780 27.965 6.317 1.00 0.46 H new ATOM 0 HA ALA A 57 18.452 25.739 6.811 1.00 0.46 H new ATOM 0 HB1 ALA A 57 16.829 25.390 8.629 1.00 0.41 H new ATOM 0 HB2 ALA A 57 17.191 27.123 8.447 1.00 0.41 H new ATOM 0 HB3 ALA A 57 15.666 26.461 7.812 1.00 0.41 H new ATOM 905 N TRP A 58 15.730 25.008 5.195 1.00 0.37 N ATOM 906 CA TRP A 58 15.073 23.892 4.448 1.00 0.38 C ATOM 907 C TRP A 58 15.823 23.731 3.084 1.00 0.59 C ATOM 908 O TRP A 58 16.102 22.626 2.673 1.00 0.82 O ATOM 909 CB TRP A 58 13.636 24.291 4.304 1.00 0.22 C ATOM 910 CG TRP A 58 12.868 23.265 3.462 1.00 0.41 C ATOM 911 CD1 TRP A 58 13.235 21.995 3.082 1.00 0.54 C ATOM 912 CD2 TRP A 58 11.663 23.538 2.956 1.00 0.49 C ATOM 913 NE1 TRP A 58 12.191 21.620 2.360 1.00 0.64 N ATOM 914 CE2 TRP A 58 11.198 22.467 2.221 1.00 0.63 C ATOM 915 CE3 TRP A 58 10.896 24.683 3.091 1.00 0.50 C ATOM 916 CZ2 TRP A 58 9.959 22.519 1.599 1.00 0.72 C ATOM 917 CZ3 TRP A 58 9.662 24.740 2.480 1.00 0.63 C ATOM 918 CH2 TRP A 58 9.185 23.671 1.730 1.00 0.74 C ATOM 0 H TRP A 58 15.294 25.924 5.088 1.00 0.37 H new ATOM 0 HA TRP A 58 15.116 22.923 4.946 1.00 0.38 H new ATOM 0 HB2 TRP A 58 13.177 24.376 5.289 1.00 0.22 H new ATOM 0 HB3 TRP A 58 13.572 25.273 3.836 1.00 0.22 H new ATOM 0 HD1 TRP A 58 14.137 21.448 3.312 1.00 0.54 H new ATOM 0 HE1 TRP A 58 12.159 20.699 1.924 1.00 0.64 H new ATOM 0 HE3 TRP A 58 11.260 25.520 3.668 1.00 0.50 H new ATOM 0 HZ2 TRP A 58 9.600 21.680 1.022 1.00 0.72 H new ATOM 0 HZ3 TRP A 58 9.057 25.628 2.585 1.00 0.63 H new ATOM 0 HH2 TRP A 58 8.219 23.733 1.251 1.00 0.74 H new ATOM 929 N ASN A 59 16.134 24.799 2.393 1.00 0.55 N ATOM 930 CA ASN A 59 16.872 24.768 1.090 1.00 0.74 C ATOM 931 C ASN A 59 18.135 23.894 1.331 1.00 0.81 C ATOM 932 O ASN A 59 18.464 23.050 0.521 1.00 0.86 O ATOM 933 CB ASN A 59 17.176 26.239 0.753 1.00 0.78 C ATOM 934 CG ASN A 59 18.420 26.369 -0.100 1.00 1.05 C ATOM 935 OD1 ASN A 59 18.533 25.860 -1.196 1.00 1.08 O ATOM 936 ND2 ASN A 59 19.391 27.059 0.400 1.00 1.29 N ATOM 0 H ASN A 59 15.892 25.742 2.697 1.00 0.55 H new ATOM 0 HA ASN A 59 16.332 24.335 0.248 1.00 0.74 H new ATOM 0 HB2 ASN A 59 16.327 26.676 0.228 1.00 0.78 H new ATOM 0 HB3 ASN A 59 17.306 26.805 1.675 1.00 0.78 H new ATOM 0 HD21 ASN A 59 20.256 27.178 -0.127 1.00 1.29 H new ATOM 0 HD22 ASN A 59 19.292 27.485 1.321 1.00 1.29 H new ATOM 943 N GLU A 60 18.774 24.149 2.445 1.00 0.80 N ATOM 944 CA GLU A 60 19.997 23.409 2.870 1.00 0.89 C ATOM 945 C GLU A 60 19.726 21.875 2.700 1.00 0.92 C ATOM 946 O GLU A 60 20.601 21.090 2.400 1.00 1.02 O ATOM 947 CB GLU A 60 20.282 23.821 4.351 1.00 0.85 C ATOM 948 CG GLU A 60 21.556 23.065 4.851 1.00 1.02 C ATOM 949 CD GLU A 60 22.076 23.442 6.246 1.00 1.08 C ATOM 950 OE1 GLU A 60 21.619 24.416 6.824 1.00 1.81 O ATOM 951 OE2 GLU A 60 22.949 22.696 6.660 1.00 1.43 O ATOM 0 H GLU A 60 18.482 24.872 3.103 1.00 0.80 H new ATOM 0 HA GLU A 60 20.875 23.647 2.270 1.00 0.89 H new ATOM 0 HB2 GLU A 60 20.432 24.898 4.420 1.00 0.85 H new ATOM 0 HB3 GLU A 60 19.427 23.577 4.981 1.00 0.85 H new ATOM 0 HG2 GLU A 60 21.342 21.996 4.844 1.00 1.02 H new ATOM 0 HG3 GLU A 60 22.357 23.234 4.132 1.00 1.02 H new ATOM 958 N LEU A 61 18.476 21.525 2.893 1.00 0.84 N ATOM 959 CA LEU A 61 17.955 20.120 2.789 1.00 0.87 C ATOM 960 C LEU A 61 17.249 19.846 1.441 1.00 0.98 C ATOM 961 O LEU A 61 16.910 18.727 1.125 1.00 1.14 O ATOM 962 CB LEU A 61 16.905 19.830 3.890 1.00 0.74 C ATOM 963 CG LEU A 61 17.360 20.214 5.298 1.00 0.62 C ATOM 964 CD1 LEU A 61 16.172 19.918 6.217 1.00 0.52 C ATOM 965 CD2 LEU A 61 18.530 19.321 5.736 1.00 0.77 C ATOM 0 H LEU A 61 17.751 22.201 3.134 1.00 0.84 H new ATOM 0 HA LEU A 61 18.834 19.483 2.891 1.00 0.87 H new ATOM 0 HB2 LEU A 61 15.988 20.371 3.655 1.00 0.74 H new ATOM 0 HB3 LEU A 61 16.661 18.768 3.875 1.00 0.74 H new ATOM 0 HG LEU A 61 17.677 21.256 5.334 1.00 0.62 H new ATOM 0 HD11 LEU A 61 16.434 20.172 7.244 1.00 0.52 H new ATOM 0 HD12 LEU A 61 15.313 20.512 5.904 1.00 0.52 H new ATOM 0 HD13 LEU A 61 15.922 18.859 6.158 1.00 0.52 H new ATOM 0 HD21 LEU A 61 18.847 19.603 6.740 1.00 0.77 H new ATOM 0 HD22 LEU A 61 18.212 18.278 5.735 1.00 0.77 H new ATOM 0 HD23 LEU A 61 19.363 19.447 5.044 1.00 0.77 H new ATOM 977 N LYS A 62 17.015 20.849 0.653 1.00 0.97 N ATOM 978 CA LYS A 62 16.326 20.693 -0.664 1.00 1.06 C ATOM 979 C LYS A 62 16.326 19.390 -1.440 1.00 1.17 C ATOM 980 O LYS A 62 15.334 19.085 -2.050 1.00 1.20 O ATOM 981 CB LYS A 62 16.834 21.843 -1.569 1.00 1.09 C ATOM 982 CG LYS A 62 16.058 21.867 -2.909 1.00 1.07 C ATOM 983 CD LYS A 62 16.576 23.047 -3.768 1.00 2.57 C ATOM 984 CE LYS A 62 18.039 22.880 -4.190 1.00 2.68 C ATOM 985 NZ LYS A 62 18.188 21.575 -4.921 1.00 1.57 N ATOM 0 H LYS A 62 17.281 21.809 0.871 1.00 0.97 H new ATOM 0 HA LYS A 62 15.274 20.710 -0.378 1.00 1.06 H new ATOM 0 HB2 LYS A 62 16.713 22.797 -1.056 1.00 1.09 H new ATOM 0 HB3 LYS A 62 17.899 21.717 -1.762 1.00 1.09 H new ATOM 0 HG2 LYS A 62 16.195 20.925 -3.441 1.00 1.07 H new ATOM 0 HG3 LYS A 62 14.989 21.976 -2.724 1.00 1.07 H new ATOM 0 HD2 LYS A 62 15.955 23.142 -4.659 1.00 2.57 H new ATOM 0 HD3 LYS A 62 16.469 23.974 -3.205 1.00 2.57 H new ATOM 0 HE2 LYS A 62 18.344 23.708 -4.830 1.00 2.68 H new ATOM 0 HE3 LYS A 62 18.688 22.898 -3.315 1.00 2.68 H new ATOM 0 HZ1 LYS A 62 19.081 21.576 -5.455 1.00 1.57 H new ATOM 0 HZ2 LYS A 62 18.195 20.792 -4.236 1.00 1.57 H new ATOM 0 HZ3 LYS A 62 17.392 21.452 -5.578 1.00 1.57 H new ATOM 999 N GLY A 63 17.357 18.622 -1.450 1.00 1.20 N ATOM 1000 CA GLY A 63 17.354 17.318 -2.226 1.00 1.23 C ATOM 1001 C GLY A 63 17.662 16.108 -1.313 1.00 0.89 C ATOM 1002 O GLY A 63 17.868 15.011 -1.786 1.00 1.00 O ATOM 0 H GLY A 63 18.226 18.821 -0.955 1.00 1.20 H new ATOM 0 HA2 GLY A 63 16.382 17.179 -2.699 1.00 1.23 H new ATOM 0 HA3 GLY A 63 18.094 17.368 -3.025 1.00 1.23 H new ATOM 1006 N THR A 64 17.695 16.399 -0.041 1.00 0.60 N ATOM 1007 CA THR A 64 17.958 15.436 1.081 1.00 0.56 C ATOM 1008 C THR A 64 17.176 14.134 0.962 1.00 0.43 C ATOM 1009 O THR A 64 16.383 13.922 0.060 1.00 0.44 O ATOM 1010 CB THR A 64 17.613 16.200 2.389 1.00 0.82 C ATOM 1011 OG1 THR A 64 18.566 17.243 2.402 1.00 1.32 O ATOM 1012 CG2 THR A 64 17.880 15.496 3.740 1.00 1.22 C ATOM 0 H THR A 64 17.536 17.349 0.294 1.00 0.60 H new ATOM 0 HA THR A 64 19.000 15.117 1.062 1.00 0.56 H new ATOM 0 HB THR A 64 16.544 16.409 2.348 1.00 0.82 H new ATOM 0 HG1 THR A 64 18.821 17.442 3.327 1.00 1.32 H new ATOM 0 HG21 THR A 64 17.589 16.155 4.558 1.00 1.22 H new ATOM 0 HG22 THR A 64 17.299 14.575 3.792 1.00 1.22 H new ATOM 0 HG23 THR A 64 18.941 15.261 3.824 1.00 1.22 H new ATOM 1020 N SER A 65 17.390 13.272 1.914 1.00 0.86 N ATOM 1021 CA SER A 65 16.694 11.966 1.920 1.00 1.15 C ATOM 1022 C SER A 65 15.523 12.244 2.887 1.00 0.99 C ATOM 1023 O SER A 65 15.679 12.411 4.087 1.00 1.08 O ATOM 1024 CB SER A 65 17.670 10.860 2.450 1.00 1.60 C ATOM 1025 OG SER A 65 18.950 11.462 2.689 1.00 2.88 O ATOM 0 H SER A 65 18.027 13.423 2.697 1.00 0.86 H new ATOM 0 HA SER A 65 16.356 11.605 0.949 1.00 1.15 H new ATOM 0 HB2 SER A 65 17.281 10.419 3.368 1.00 1.60 H new ATOM 0 HB3 SER A 65 17.760 10.053 1.722 1.00 1.60 H new ATOM 0 HG SER A 65 19.578 10.780 3.008 1.00 2.88 H new ATOM 1031 N LYS A 66 14.346 12.305 2.322 1.00 0.78 N ATOM 1032 CA LYS A 66 13.092 12.576 3.115 1.00 0.47 C ATOM 1033 C LYS A 66 13.066 11.706 4.380 1.00 0.33 C ATOM 1034 O LYS A 66 12.637 12.126 5.439 1.00 0.17 O ATOM 1035 CB LYS A 66 11.941 12.329 2.086 1.00 0.75 C ATOM 1036 CG LYS A 66 12.070 13.553 1.124 1.00 2.98 C ATOM 1037 CD LYS A 66 11.619 13.374 -0.346 1.00 3.84 C ATOM 1038 CE LYS A 66 12.005 14.720 -1.028 1.00 4.52 C ATOM 1039 NZ LYS A 66 11.844 14.684 -2.517 1.00 4.77 N ATOM 0 H LYS A 66 14.190 12.177 1.322 1.00 0.78 H new ATOM 0 HA LYS A 66 13.005 13.585 3.517 1.00 0.47 H new ATOM 0 HB2 LYS A 66 12.067 11.384 1.558 1.00 0.75 H new ATOM 0 HB3 LYS A 66 10.965 12.296 2.570 1.00 0.75 H new ATOM 0 HG2 LYS A 66 11.496 14.375 1.551 1.00 2.98 H new ATOM 0 HG3 LYS A 66 13.115 13.863 1.117 1.00 2.98 H new ATOM 0 HD2 LYS A 66 12.122 12.530 -0.817 1.00 3.84 H new ATOM 0 HD3 LYS A 66 10.548 13.185 -0.414 1.00 3.84 H new ATOM 0 HE2 LYS A 66 11.387 15.519 -0.620 1.00 4.52 H new ATOM 0 HE3 LYS A 66 13.040 14.962 -0.785 1.00 4.52 H new ATOM 0 HZ1 LYS A 66 11.983 15.639 -2.904 1.00 4.77 H new ATOM 0 HZ2 LYS A 66 12.549 14.038 -2.927 1.00 4.77 H new ATOM 0 HZ3 LYS A 66 10.888 14.350 -2.755 1.00 4.77 H new ATOM 1053 N GLU A 67 13.536 10.500 4.208 1.00 0.51 N ATOM 1054 CA GLU A 67 13.623 9.489 5.295 1.00 0.47 C ATOM 1055 C GLU A 67 14.553 10.000 6.433 1.00 0.48 C ATOM 1056 O GLU A 67 14.162 9.968 7.581 1.00 0.45 O ATOM 1057 CB GLU A 67 14.130 8.202 4.598 1.00 0.54 C ATOM 1058 CG GLU A 67 12.968 7.548 3.734 1.00 0.75 C ATOM 1059 CD GLU A 67 13.398 6.267 2.979 1.00 0.71 C ATOM 1060 OE1 GLU A 67 14.131 5.511 3.600 1.00 2.78 O ATOM 1061 OE2 GLU A 67 12.962 6.118 1.841 1.00 1.54 O ATOM 0 H GLU A 67 13.880 10.161 3.309 1.00 0.51 H new ATOM 0 HA GLU A 67 12.671 9.294 5.789 1.00 0.47 H new ATOM 0 HB2 GLU A 67 14.980 8.438 3.958 1.00 0.54 H new ATOM 0 HB3 GLU A 67 14.482 7.490 5.345 1.00 0.54 H new ATOM 0 HG2 GLU A 67 12.131 7.309 4.390 1.00 0.75 H new ATOM 0 HG3 GLU A 67 12.608 8.281 3.012 1.00 0.75 H new ATOM 1068 N ASP A 68 15.741 10.459 6.114 1.00 0.50 N ATOM 1069 CA ASP A 68 16.703 10.978 7.118 1.00 0.52 C ATOM 1070 C ASP A 68 15.982 12.061 7.907 1.00 0.52 C ATOM 1071 O ASP A 68 16.013 12.107 9.116 1.00 0.51 O ATOM 1072 CB ASP A 68 17.883 11.532 6.344 1.00 0.49 C ATOM 1073 CG ASP A 68 18.695 10.504 5.583 1.00 0.86 C ATOM 1074 OD1 ASP A 68 18.159 9.487 5.213 1.00 0.33 O ATOM 1075 OD2 ASP A 68 19.850 10.805 5.377 1.00 2.30 O ATOM 0 H ASP A 68 16.089 10.492 5.156 1.00 0.50 H new ATOM 0 HA ASP A 68 17.061 10.220 7.815 1.00 0.52 H new ATOM 0 HB2 ASP A 68 17.516 12.277 5.638 1.00 0.49 H new ATOM 0 HB3 ASP A 68 18.543 12.050 7.040 1.00 0.49 H new ATOM 1080 N ALA A 69 15.353 12.905 7.131 1.00 0.48 N ATOM 1081 CA ALA A 69 14.577 14.042 7.713 1.00 0.40 C ATOM 1082 C ALA A 69 13.563 13.409 8.663 1.00 0.30 C ATOM 1083 O ALA A 69 13.574 13.732 9.829 1.00 0.37 O ATOM 1084 CB ALA A 69 13.888 14.803 6.575 1.00 0.41 C ATOM 0 H ALA A 69 15.343 12.855 6.112 1.00 0.48 H new ATOM 0 HA ALA A 69 15.202 14.756 8.249 1.00 0.40 H new ATOM 0 HB1 ALA A 69 13.318 15.636 6.987 1.00 0.41 H new ATOM 0 HB2 ALA A 69 14.640 15.184 5.885 1.00 0.41 H new ATOM 0 HB3 ALA A 69 13.215 14.131 6.043 1.00 0.41 H new ATOM 1090 N MET A 70 12.720 12.537 8.174 1.00 0.22 N ATOM 1091 CA MET A 70 11.729 11.878 9.040 1.00 0.24 C ATOM 1092 C MET A 70 12.384 11.340 10.336 1.00 0.25 C ATOM 1093 O MET A 70 12.043 11.749 11.419 1.00 0.25 O ATOM 1094 CB MET A 70 11.113 10.753 8.204 1.00 0.25 C ATOM 1095 CG MET A 70 10.029 11.294 7.238 1.00 0.24 C ATOM 1096 SD MET A 70 8.879 10.107 6.494 1.00 0.60 S ATOM 1097 CE MET A 70 7.622 11.298 5.955 1.00 0.12 C ATOM 0 H MET A 70 12.685 12.257 7.194 1.00 0.22 H new ATOM 0 HA MET A 70 10.962 12.579 9.369 1.00 0.24 H new ATOM 0 HB2 MET A 70 11.895 10.253 7.632 1.00 0.25 H new ATOM 0 HB3 MET A 70 10.673 10.006 8.865 1.00 0.25 H new ATOM 0 HG2 MET A 70 9.440 12.035 7.779 1.00 0.24 H new ATOM 0 HG3 MET A 70 10.536 11.819 6.429 1.00 0.24 H new ATOM 0 HE1 MET A 70 6.691 11.111 6.489 1.00 0.12 H new ATOM 0 HE2 MET A 70 7.965 12.310 6.168 1.00 0.12 H new ATOM 0 HE3 MET A 70 7.454 11.190 4.884 1.00 0.12 H new ATOM 1107 N LYS A 71 13.319 10.447 10.154 1.00 0.27 N ATOM 1108 CA LYS A 71 14.086 9.782 11.254 1.00 0.25 C ATOM 1109 C LYS A 71 14.656 10.804 12.246 1.00 0.32 C ATOM 1110 O LYS A 71 14.270 10.879 13.395 1.00 0.32 O ATOM 1111 CB LYS A 71 15.267 8.963 10.662 1.00 0.20 C ATOM 1112 CG LYS A 71 14.830 7.780 9.766 1.00 0.14 C ATOM 1113 CD LYS A 71 14.091 6.716 10.629 1.00 2.41 C ATOM 1114 CE LYS A 71 14.353 5.288 10.120 1.00 4.01 C ATOM 1115 NZ LYS A 71 13.891 5.180 8.699 1.00 5.39 N ATOM 0 H LYS A 71 13.600 10.131 9.226 1.00 0.27 H new ATOM 0 HA LYS A 71 13.392 9.127 11.780 1.00 0.25 H new ATOM 0 HB2 LYS A 71 15.902 9.631 10.079 1.00 0.20 H new ATOM 0 HB3 LYS A 71 15.875 8.579 11.481 1.00 0.20 H new ATOM 0 HG2 LYS A 71 14.175 8.136 8.970 1.00 0.14 H new ATOM 0 HG3 LYS A 71 15.701 7.333 9.286 1.00 0.14 H new ATOM 0 HD2 LYS A 71 14.417 6.798 11.666 1.00 2.41 H new ATOM 0 HD3 LYS A 71 13.020 6.916 10.615 1.00 2.41 H new ATOM 0 HE2 LYS A 71 15.415 5.054 10.189 1.00 4.01 H new ATOM 0 HE3 LYS A 71 13.826 4.565 10.742 1.00 4.01 H new ATOM 0 HZ1 LYS A 71 13.891 4.181 8.409 1.00 5.39 H new ATOM 0 HZ2 LYS A 71 12.928 5.565 8.617 1.00 5.39 H new ATOM 0 HZ3 LYS A 71 14.533 5.719 8.083 1.00 5.39 H new ATOM 1129 N ALA A 72 15.568 11.591 11.744 1.00 0.39 N ATOM 1130 CA ALA A 72 16.254 12.648 12.530 1.00 0.46 C ATOM 1131 C ALA A 72 15.230 13.483 13.301 1.00 0.43 C ATOM 1132 O ALA A 72 15.369 13.709 14.485 1.00 0.43 O ATOM 1133 CB ALA A 72 17.046 13.445 11.492 1.00 0.57 C ATOM 0 H ALA A 72 15.877 11.538 10.773 1.00 0.39 H new ATOM 0 HA ALA A 72 16.923 12.260 13.298 1.00 0.46 H new ATOM 0 HB1 ALA A 72 17.587 14.251 11.988 1.00 0.57 H new ATOM 0 HB2 ALA A 72 17.756 12.786 10.991 1.00 0.57 H new ATOM 0 HB3 ALA A 72 16.361 13.866 10.756 1.00 0.57 H new ATOM 1139 N TYR A 73 14.217 13.891 12.579 1.00 0.41 N ATOM 1140 CA TYR A 73 13.110 14.716 13.143 1.00 0.37 C ATOM 1141 C TYR A 73 12.445 13.919 14.284 1.00 0.23 C ATOM 1142 O TYR A 73 12.394 14.384 15.397 1.00 0.24 O ATOM 1143 CB TYR A 73 12.166 14.980 11.969 1.00 0.43 C ATOM 1144 CG TYR A 73 10.935 15.812 12.300 1.00 0.34 C ATOM 1145 CD1 TYR A 73 9.778 15.227 12.772 1.00 0.26 C ATOM 1146 CD2 TYR A 73 10.972 17.168 12.101 1.00 0.36 C ATOM 1147 CE1 TYR A 73 8.672 16.006 13.039 1.00 0.23 C ATOM 1148 CE2 TYR A 73 9.871 17.937 12.366 1.00 0.25 C ATOM 1149 CZ TYR A 73 8.705 17.363 12.840 1.00 0.17 C ATOM 1150 OH TYR A 73 7.585 18.118 13.125 1.00 0.17 O ATOM 0 H TYR A 73 14.111 13.677 11.587 1.00 0.41 H new ATOM 0 HA TYR A 73 13.433 15.664 13.572 1.00 0.37 H new ATOM 0 HB2 TYR A 73 12.725 15.485 11.181 1.00 0.43 H new ATOM 0 HB3 TYR A 73 11.839 14.022 11.564 1.00 0.43 H new ATOM 0 HD1 TYR A 73 9.739 14.160 12.932 1.00 0.26 H new ATOM 0 HD2 TYR A 73 11.875 17.632 11.733 1.00 0.36 H new ATOM 0 HE1 TYR A 73 7.769 15.543 13.409 1.00 0.23 H new ATOM 0 HE2 TYR A 73 9.913 19.004 12.203 1.00 0.25 H new ATOM 0 HH TYR A 73 7.129 18.354 12.291 1.00 0.17 H new ATOM 1160 N ILE A 74 11.960 12.753 13.968 1.00 0.21 N ATOM 1161 CA ILE A 74 11.286 11.876 14.983 1.00 0.31 C ATOM 1162 C ILE A 74 12.081 11.852 16.272 1.00 0.47 C ATOM 1163 O ILE A 74 11.565 12.196 17.318 1.00 0.58 O ATOM 1164 CB ILE A 74 11.151 10.461 14.393 1.00 0.32 C ATOM 1165 CG1 ILE A 74 10.158 10.521 13.209 1.00 0.19 C ATOM 1166 CG2 ILE A 74 10.556 9.525 15.477 1.00 0.65 C ATOM 1167 CD1 ILE A 74 10.388 9.329 12.275 1.00 0.38 C ATOM 0 H ILE A 74 12.000 12.356 13.029 1.00 0.21 H new ATOM 0 HA ILE A 74 10.296 12.268 15.216 1.00 0.31 H new ATOM 0 HB ILE A 74 12.123 10.093 14.065 1.00 0.32 H new ATOM 0 HG12 ILE A 74 9.134 10.510 13.581 1.00 0.19 H new ATOM 0 HG13 ILE A 74 10.288 11.454 12.661 1.00 0.19 H new ATOM 0 HG21 ILE A 74 10.455 8.518 15.072 1.00 0.65 H new ATOM 0 HG22 ILE A 74 11.218 9.503 16.342 1.00 0.65 H new ATOM 0 HG23 ILE A 74 9.576 9.895 15.779 1.00 0.65 H new ATOM 0 HD11 ILE A 74 9.685 9.378 11.443 1.00 0.38 H new ATOM 0 HD12 ILE A 74 11.408 9.359 11.891 1.00 0.38 H new ATOM 0 HD13 ILE A 74 10.235 8.401 12.825 1.00 0.38 H new ATOM 1179 N ASP A 75 13.316 11.460 16.134 1.00 0.52 N ATOM 1180 CA ASP A 75 14.227 11.382 17.285 1.00 0.69 C ATOM 1181 C ASP A 75 14.235 12.782 17.912 1.00 0.66 C ATOM 1182 O ASP A 75 13.941 12.953 19.070 1.00 0.74 O ATOM 1183 CB ASP A 75 15.539 10.946 16.682 1.00 0.78 C ATOM 1184 CG ASP A 75 15.505 9.460 16.334 1.00 0.94 C ATOM 1185 OD1 ASP A 75 14.715 9.090 15.483 1.00 1.99 O ATOM 1186 OD2 ASP A 75 16.291 8.770 16.952 1.00 2.56 O ATOM 0 H ASP A 75 13.733 11.186 15.244 1.00 0.52 H new ATOM 0 HA ASP A 75 13.964 10.686 18.081 1.00 0.69 H new ATOM 0 HB2 ASP A 75 15.745 11.530 15.785 1.00 0.78 H new ATOM 0 HB3 ASP A 75 16.350 11.142 17.383 1.00 0.78 H new ATOM 1191 N LYS A 76 14.571 13.741 17.097 1.00 0.55 N ATOM 1192 CA LYS A 76 14.630 15.169 17.532 1.00 0.53 C ATOM 1193 C LYS A 76 13.453 15.536 18.438 1.00 0.48 C ATOM 1194 O LYS A 76 13.627 16.098 19.495 1.00 0.41 O ATOM 1195 CB LYS A 76 14.613 16.095 16.288 1.00 0.70 C ATOM 1196 CG LYS A 76 15.406 17.354 16.609 1.00 1.35 C ATOM 1197 CD LYS A 76 16.894 16.935 16.575 1.00 1.38 C ATOM 1198 CE LYS A 76 17.699 17.833 17.462 1.00 1.01 C ATOM 1199 NZ LYS A 76 19.077 17.270 17.498 1.00 2.96 N ATOM 0 H LYS A 76 14.815 13.592 16.118 1.00 0.55 H new ATOM 0 HA LYS A 76 15.553 15.303 18.096 1.00 0.53 H new ATOM 0 HB2 LYS A 76 15.047 15.583 15.429 1.00 0.70 H new ATOM 0 HB3 LYS A 76 13.588 16.351 16.021 1.00 0.70 H new ATOM 0 HG2 LYS A 76 15.204 18.139 15.881 1.00 1.35 H new ATOM 0 HG3 LYS A 76 15.133 17.749 17.588 1.00 1.35 H new ATOM 0 HD2 LYS A 76 16.997 15.900 16.902 1.00 1.38 H new ATOM 0 HD3 LYS A 76 17.271 16.986 15.554 1.00 1.38 H new ATOM 0 HE2 LYS A 76 17.707 18.853 17.077 1.00 1.01 H new ATOM 0 HE3 LYS A 76 17.271 17.874 18.463 1.00 1.01 H new ATOM 0 HZ1 LYS A 76 19.678 17.863 18.105 1.00 2.96 H new ATOM 0 HZ2 LYS A 76 19.047 16.303 17.879 1.00 2.96 H new ATOM 0 HZ3 LYS A 76 19.470 17.251 16.535 1.00 2.96 H new ATOM 1213 N VAL A 77 12.273 15.205 18.008 1.00 0.55 N ATOM 1214 CA VAL A 77 11.072 15.531 18.830 1.00 0.56 C ATOM 1215 C VAL A 77 10.963 14.575 20.017 1.00 0.59 C ATOM 1216 O VAL A 77 10.776 15.032 21.122 1.00 0.51 O ATOM 1217 CB VAL A 77 9.807 15.433 17.977 1.00 0.65 C ATOM 1218 CG1 VAL A 77 8.697 16.058 18.871 1.00 0.94 C ATOM 1219 CG2 VAL A 77 9.967 16.286 16.684 1.00 0.30 C ATOM 0 H VAL A 77 12.084 14.725 17.128 1.00 0.55 H new ATOM 0 HA VAL A 77 11.177 16.550 19.203 1.00 0.56 H new ATOM 0 HB VAL A 77 9.588 14.410 17.672 1.00 0.65 H new ATOM 0 HG11 VAL A 77 7.745 16.032 18.340 1.00 0.94 H new ATOM 0 HG12 VAL A 77 8.612 15.489 19.797 1.00 0.94 H new ATOM 0 HG13 VAL A 77 8.955 17.091 19.103 1.00 0.94 H new ATOM 0 HG21 VAL A 77 9.061 16.210 16.083 1.00 0.30 H new ATOM 0 HG22 VAL A 77 10.136 17.328 16.954 1.00 0.30 H new ATOM 0 HG23 VAL A 77 10.816 15.918 16.108 1.00 0.30 H new ATOM 1229 N GLU A 78 11.067 13.298 19.808 1.00 0.80 N ATOM 1230 CA GLU A 78 10.982 12.329 20.951 1.00 0.92 C ATOM 1231 C GLU A 78 11.932 12.871 22.075 1.00 1.02 C ATOM 1232 O GLU A 78 11.588 12.986 23.241 1.00 1.02 O ATOM 1233 CB GLU A 78 11.387 10.979 20.329 1.00 0.93 C ATOM 1234 CG GLU A 78 11.167 9.784 21.319 1.00 1.28 C ATOM 1235 CD GLU A 78 12.314 9.620 22.323 1.00 0.94 C ATOM 1236 OE1 GLU A 78 13.234 10.420 22.384 1.00 2.00 O ATOM 1237 OE2 GLU A 78 12.240 8.648 23.054 1.00 2.39 O ATOM 0 H GLU A 78 11.208 12.872 18.892 1.00 0.80 H new ATOM 0 HA GLU A 78 10.007 12.208 21.424 1.00 0.92 H new ATOM 0 HB2 GLU A 78 10.806 10.809 19.422 1.00 0.93 H new ATOM 0 HB3 GLU A 78 12.436 11.016 20.034 1.00 0.93 H new ATOM 0 HG2 GLU A 78 10.235 9.936 21.863 1.00 1.28 H new ATOM 0 HG3 GLU A 78 11.056 8.862 20.748 1.00 1.28 H new ATOM 1244 N GLU A 79 13.106 13.256 21.660 1.00 1.04 N ATOM 1245 CA GLU A 79 14.146 13.797 22.584 1.00 1.03 C ATOM 1246 C GLU A 79 13.679 15.184 23.078 1.00 0.61 C ATOM 1247 O GLU A 79 13.688 15.440 24.266 1.00 0.38 O ATOM 1248 CB GLU A 79 15.438 13.828 21.763 1.00 1.29 C ATOM 1249 CG GLU A 79 16.149 12.435 21.878 1.00 1.81 C ATOM 1250 CD GLU A 79 16.746 12.255 23.282 1.00 4.01 C ATOM 1251 OE1 GLU A 79 17.487 13.160 23.647 1.00 4.02 O ATOM 1252 OE2 GLU A 79 16.427 11.247 23.902 1.00 6.16 O ATOM 0 H GLU A 79 13.399 13.217 20.684 1.00 1.04 H new ATOM 0 HA GLU A 79 14.313 13.200 23.481 1.00 1.03 H new ATOM 0 HB2 GLU A 79 15.216 14.052 20.720 1.00 1.29 H new ATOM 0 HB3 GLU A 79 16.096 14.618 22.126 1.00 1.29 H new ATOM 0 HG2 GLU A 79 15.435 11.637 21.674 1.00 1.81 H new ATOM 0 HG3 GLU A 79 16.936 12.358 21.128 1.00 1.81 H new ATOM 1259 N LEU A 80 13.284 16.084 22.214 1.00 0.52 N ATOM 1260 CA LEU A 80 12.818 17.408 22.746 1.00 0.22 C ATOM 1261 C LEU A 80 11.657 17.217 23.715 1.00 0.30 C ATOM 1262 O LEU A 80 11.458 17.997 24.623 1.00 0.63 O ATOM 1263 CB LEU A 80 12.326 18.314 21.624 1.00 0.38 C ATOM 1264 CG LEU A 80 13.467 18.899 20.812 1.00 0.84 C ATOM 1265 CD1 LEU A 80 12.801 19.782 19.762 1.00 1.16 C ATOM 1266 CD2 LEU A 80 14.352 19.794 21.698 1.00 1.09 C ATOM 0 H LEU A 80 13.262 15.972 21.200 1.00 0.52 H new ATOM 0 HA LEU A 80 13.672 17.863 23.248 1.00 0.22 H new ATOM 0 HB2 LEU A 80 11.668 17.748 20.965 1.00 0.38 H new ATOM 0 HB3 LEU A 80 11.733 19.124 22.048 1.00 0.38 H new ATOM 0 HG LEU A 80 14.089 18.113 20.384 1.00 0.84 H new ATOM 0 HD11 LEU A 80 13.565 20.241 19.135 1.00 1.16 H new ATOM 0 HD12 LEU A 80 12.140 19.176 19.143 1.00 1.16 H new ATOM 0 HD13 LEU A 80 12.221 20.561 20.257 1.00 1.16 H new ATOM 0 HD21 LEU A 80 15.166 20.206 21.101 1.00 1.09 H new ATOM 0 HD22 LEU A 80 13.753 20.608 22.106 1.00 1.09 H new ATOM 0 HD23 LEU A 80 14.765 19.203 22.515 1.00 1.09 H new ATOM 1278 N LYS A 81 10.927 16.164 23.518 1.00 0.22 N ATOM 1279 CA LYS A 81 9.762 15.902 24.412 1.00 0.47 C ATOM 1280 C LYS A 81 10.331 15.472 25.737 1.00 0.65 C ATOM 1281 O LYS A 81 9.860 15.888 26.772 1.00 0.73 O ATOM 1282 CB LYS A 81 8.886 14.803 23.812 1.00 0.58 C ATOM 1283 CG LYS A 81 7.680 14.588 24.765 1.00 1.17 C ATOM 1284 CD LYS A 81 6.688 13.591 24.144 1.00 0.86 C ATOM 1285 CE LYS A 81 5.352 13.659 24.902 1.00 3.57 C ATOM 1286 NZ LYS A 81 4.457 12.621 24.313 1.00 3.17 N ATOM 0 H LYS A 81 11.080 15.473 22.783 1.00 0.22 H new ATOM 0 HA LYS A 81 9.137 16.787 24.531 1.00 0.47 H new ATOM 0 HB2 LYS A 81 8.542 15.088 22.818 1.00 0.58 H new ATOM 0 HB3 LYS A 81 9.454 13.880 23.700 1.00 0.58 H new ATOM 0 HG2 LYS A 81 8.029 14.214 25.727 1.00 1.17 H new ATOM 0 HG3 LYS A 81 7.182 15.539 24.954 1.00 1.17 H new ATOM 0 HD2 LYS A 81 6.533 13.824 23.091 1.00 0.86 H new ATOM 0 HD3 LYS A 81 7.094 12.581 24.191 1.00 0.86 H new ATOM 0 HE2 LYS A 81 5.504 13.477 25.966 1.00 3.57 H new ATOM 0 HE3 LYS A 81 4.906 14.649 24.808 1.00 3.57 H new ATOM 0 HZ1 LYS A 81 3.506 13.020 24.176 1.00 3.17 H new ATOM 0 HZ2 LYS A 81 4.839 12.313 23.396 1.00 3.17 H new ATOM 0 HZ3 LYS A 81 4.401 11.805 24.956 1.00 3.17 H new ATOM 1300 N LYS A 82 11.342 14.660 25.679 1.00 0.71 N ATOM 1301 CA LYS A 82 11.957 14.202 26.959 1.00 0.90 C ATOM 1302 C LYS A 82 12.664 15.412 27.626 1.00 0.64 C ATOM 1303 O LYS A 82 12.638 15.545 28.831 1.00 0.46 O ATOM 1304 CB LYS A 82 12.892 13.066 26.570 1.00 1.24 C ATOM 1305 CG LYS A 82 11.978 11.838 26.325 1.00 1.75 C ATOM 1306 CD LYS A 82 12.593 10.888 25.301 1.00 0.59 C ATOM 1307 CE LYS A 82 13.981 10.460 25.682 1.00 1.72 C ATOM 1308 NZ LYS A 82 14.446 9.463 24.682 1.00 2.73 N ATOM 0 H LYS A 82 11.765 14.297 24.825 1.00 0.71 H new ATOM 0 HA LYS A 82 11.246 13.834 27.698 1.00 0.90 H new ATOM 0 HB2 LYS A 82 13.461 13.316 25.674 1.00 1.24 H new ATOM 0 HB3 LYS A 82 13.615 12.865 27.361 1.00 1.24 H new ATOM 0 HG2 LYS A 82 11.816 11.309 27.264 1.00 1.75 H new ATOM 0 HG3 LYS A 82 11.002 12.172 25.974 1.00 1.75 H new ATOM 0 HD2 LYS A 82 11.959 10.007 25.199 1.00 0.59 H new ATOM 0 HD3 LYS A 82 12.620 11.376 24.327 1.00 0.59 H new ATOM 0 HE2 LYS A 82 14.652 11.319 25.704 1.00 1.72 H new ATOM 0 HE3 LYS A 82 13.985 10.027 26.682 1.00 1.72 H new ATOM 0 HZ1 LYS A 82 14.983 8.713 25.163 1.00 2.73 H new ATOM 0 HZ2 LYS A 82 13.624 9.046 24.200 1.00 2.73 H new ATOM 0 HZ3 LYS A 82 15.057 9.932 23.983 1.00 2.73 H new ATOM 1322 N LYS A 83 13.269 16.265 26.840 1.00 0.67 N ATOM 1323 CA LYS A 83 14.004 17.501 27.311 1.00 0.53 C ATOM 1324 C LYS A 83 13.119 18.636 27.869 1.00 0.44 C ATOM 1325 O LYS A 83 13.316 19.139 28.954 1.00 0.54 O ATOM 1326 CB LYS A 83 14.807 18.023 26.104 1.00 0.40 C ATOM 1327 CG LYS A 83 15.907 19.052 26.493 1.00 0.77 C ATOM 1328 CD LYS A 83 17.121 18.378 27.192 1.00 3.39 C ATOM 1329 CE LYS A 83 17.805 17.363 26.261 1.00 4.65 C ATOM 1330 NZ LYS A 83 18.996 16.826 26.995 1.00 6.84 N ATOM 0 H LYS A 83 13.288 16.154 25.826 1.00 0.67 H new ATOM 0 HA LYS A 83 14.624 17.204 28.157 1.00 0.53 H new ATOM 0 HB2 LYS A 83 15.273 17.179 25.594 1.00 0.40 H new ATOM 0 HB3 LYS A 83 14.122 18.486 25.394 1.00 0.40 H new ATOM 0 HG2 LYS A 83 16.248 19.572 25.598 1.00 0.77 H new ATOM 0 HG3 LYS A 83 15.480 19.805 27.156 1.00 0.77 H new ATOM 0 HD2 LYS A 83 17.839 19.140 27.494 1.00 3.39 H new ATOM 0 HD3 LYS A 83 16.788 17.876 28.100 1.00 3.39 H new ATOM 0 HE2 LYS A 83 17.119 16.558 25.998 1.00 4.65 H new ATOM 0 HE3 LYS A 83 18.109 17.839 25.329 1.00 4.65 H new ATOM 0 HZ1 LYS A 83 19.489 16.133 26.397 1.00 6.84 H new ATOM 0 HZ2 LYS A 83 19.643 17.607 27.225 1.00 6.84 H new ATOM 0 HZ3 LYS A 83 18.684 16.365 27.873 1.00 6.84 H new ATOM 1344 N TYR A 84 12.178 18.980 27.052 1.00 0.41 N ATOM 1345 CA TYR A 84 11.162 20.062 27.319 1.00 0.74 C ATOM 1346 C TYR A 84 9.788 19.613 27.904 1.00 1.56 C ATOM 1347 O TYR A 84 9.195 20.318 28.701 1.00 2.40 O ATOM 1348 CB TYR A 84 10.883 20.792 26.006 1.00 1.12 C ATOM 1349 CG TYR A 84 11.915 21.840 25.590 1.00 1.11 C ATOM 1350 CD1 TYR A 84 11.830 23.109 26.119 1.00 0.96 C ATOM 1351 CD2 TYR A 84 12.894 21.565 24.659 1.00 1.84 C ATOM 1352 CE1 TYR A 84 12.696 24.098 25.721 1.00 1.07 C ATOM 1353 CE2 TYR A 84 13.763 22.564 24.263 1.00 2.16 C ATOM 1354 CZ TYR A 84 13.661 23.834 24.789 1.00 1.66 C ATOM 1355 OH TYR A 84 14.461 24.868 24.363 1.00 2.00 O ATOM 0 H TYR A 84 12.052 18.532 26.144 1.00 0.41 H new ATOM 0 HA TYR A 84 11.618 20.679 28.093 1.00 0.74 H new ATOM 0 HB2 TYR A 84 10.806 20.051 25.210 1.00 1.12 H new ATOM 0 HB3 TYR A 84 9.911 21.279 26.083 1.00 1.12 H new ATOM 0 HD1 TYR A 84 11.072 23.329 26.856 1.00 0.96 H new ATOM 0 HD2 TYR A 84 12.981 20.573 24.241 1.00 1.84 H new ATOM 0 HE1 TYR A 84 12.614 25.088 26.146 1.00 1.07 H new ATOM 0 HE2 TYR A 84 14.530 22.347 23.534 1.00 2.16 H new ATOM 0 HH TYR A 84 13.904 25.573 23.971 1.00 2.00 H new ATOM 1365 N GLY A 85 9.354 18.452 27.483 1.00 1.33 N ATOM 1366 CA GLY A 85 8.037 17.924 27.966 1.00 2.17 C ATOM 1367 C GLY A 85 6.779 18.371 27.211 1.00 2.86 C ATOM 1368 O GLY A 85 6.758 19.143 26.270 1.00 4.77 O ATOM 0 H GLY A 85 9.851 17.847 26.829 1.00 1.33 H new ATOM 0 HA2 GLY A 85 8.079 16.835 27.936 1.00 2.17 H new ATOM 0 HA3 GLY A 85 7.922 18.210 29.012 1.00 2.17 H new ATOM 1372 N ILE A 86 5.730 17.820 27.728 1.00 1.65 N ATOM 1373 CA ILE A 86 4.346 18.048 27.229 1.00 2.00 C ATOM 1374 C ILE A 86 3.480 18.481 28.438 1.00 1.70 C ATOM 1375 O ILE A 86 2.626 19.327 28.231 1.00 3.28 O ATOM 1376 CB ILE A 86 3.890 16.721 26.570 1.00 3.07 C ATOM 1377 CG1 ILE A 86 2.490 16.945 25.949 1.00 3.49 C ATOM 1378 CG2 ILE A 86 3.887 15.580 27.615 1.00 3.46 C ATOM 1379 CD1 ILE A 86 1.967 15.653 25.296 1.00 4.97 C ATOM 1380 OXT ILE A 86 3.711 17.959 29.520 1.00 1.62 O ATOM 0 H ILE A 86 5.774 17.183 28.523 1.00 1.65 H new ATOM 0 HA ILE A 86 4.263 18.837 26.482 1.00 2.00 H new ATOM 0 HB ILE A 86 4.581 16.424 25.781 1.00 3.07 H new ATOM 0 HG12 ILE A 86 1.794 17.275 26.720 1.00 3.49 H new ATOM 0 HG13 ILE A 86 2.541 17.739 25.204 1.00 3.49 H new ATOM 0 HG21 ILE A 86 3.565 14.653 27.141 1.00 3.46 H new ATOM 0 HG22 ILE A 86 4.892 15.452 28.017 1.00 3.46 H new ATOM 0 HG23 ILE A 86 3.202 15.830 28.425 1.00 3.46 H new ATOM 0 HD11 ILE A 86 0.982 15.835 24.867 1.00 4.97 H new ATOM 0 HD12 ILE A 86 2.653 15.339 24.509 1.00 4.97 H new ATOM 0 HD13 ILE A 86 1.895 14.868 26.049 1.00 4.97 H new TER 1392 ILE A 86