USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 SER OG : rot -6:sc= 0.849 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.827! X(o=-0.83!,f=-0.89) USER MOD Single : A 18 ASN : amide:sc= -2.56! C(o=-2.6!,f=-4.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.0033 (180deg=-0.0838) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 125:sc= 0.626 USER MOD Single : A 81 ASN : amide:sc= -0.389 K(o=-0.39,f=-1) USER MOD Single : A 87 SER OG : rot 180:sc= 0.165 USER MOD Single : A 92 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 100 THR OG1 : rot 107:sc= 1.41 USER MOD Single : A 102 LYS NZ :NH3+ -167:sc= 1.1 (180deg=0.709) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.06) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 75:sc= 0.263 USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.0692 USER MOD Single : A 121 HIS : no HE2:sc= -0.455 K(o=-0.45,f=-6!) USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.25) USER MOD Single : A 132 MET CE :methyl -143:sc= -0.135 (180deg=-2.58!) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -164:sc= 0 (180deg=-0.157) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -81.621 31.005 -82.479 1.00 17.93 N ATOM 109 CA SER A 8 -80.725 32.042 -82.958 1.00 18.07 C ATOM 110 C SER A 8 -79.289 31.523 -83.038 1.00 17.91 C ATOM 111 O SER A 8 -78.420 31.937 -82.269 1.00 17.61 O ATOM 112 CB SER A 8 -80.806 33.254 -82.027 1.00 18.00 C ATOM 113 OG SER A 8 -81.634 32.976 -80.905 1.00 17.96 O ATOM 0 HA SER A 8 -81.030 32.339 -83.962 1.00 18.07 H new ATOM 0 HB2 SER A 8 -79.806 33.525 -81.688 1.00 18.00 H new ATOM 0 HB3 SER A 8 -81.201 34.111 -82.572 1.00 18.00 H new ATOM 0 HG SER A 8 -82.054 32.098 -81.018 1.00 17.96 H new ATOM 119 N LEU A 9 -79.050 30.616 -83.981 1.00 18.20 N ATOM 120 CA LEU A 9 -77.737 30.007 -84.159 1.00 18.26 C ATOM 121 C LEU A 9 -76.700 31.059 -84.529 1.00 18.43 C ATOM 122 O LEU A 9 -75.540 30.963 -84.131 1.00 18.25 O ATOM 123 CB LEU A 9 -77.790 28.929 -85.245 1.00 18.77 C ATOM 124 CG LEU A 9 -77.291 27.541 -84.824 1.00 18.82 C ATOM 125 CD1 LEU A 9 -77.055 26.671 -86.048 1.00 19.04 C ATOM 126 CD2 LEU A 9 -76.016 27.648 -83.997 1.00 18.92 C ATOM 0 H LEU A 9 -79.756 30.285 -84.639 1.00 18.20 H new ATOM 0 HA LEU A 9 -77.448 29.547 -83.214 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -78.820 28.836 -85.590 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -77.198 29.266 -86.096 1.00 18.77 H new ATOM 0 HG LEU A 9 -78.059 27.077 -84.206 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -76.701 25.689 -85.734 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -77.988 26.561 -86.601 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -76.307 27.139 -86.688 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -75.683 26.650 -83.711 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -75.239 28.135 -84.587 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -76.212 28.236 -83.100 1.00 18.92 H new ATOM 138 N ASP A 10 -77.129 32.066 -85.276 1.00 18.85 N ATOM 139 CA ASP A 10 -76.239 33.139 -85.708 1.00 19.17 C ATOM 140 C ASP A 10 -75.710 33.922 -84.509 1.00 18.74 C ATOM 141 O ASP A 10 -74.537 34.294 -84.465 1.00 18.78 O ATOM 142 CB ASP A 10 -76.956 34.074 -86.696 1.00 19.78 C ATOM 143 CG ASP A 10 -78.069 34.897 -86.066 1.00 19.90 C ATOM 144 OD1 ASP A 10 -78.795 34.354 -85.206 1.00 19.72 O ATOM 145 OD2 ASP A 10 -78.210 36.093 -86.405 1.00 20.27 O ATOM 0 H ASP A 10 -78.092 32.164 -85.598 1.00 18.85 H new ATOM 0 HA ASP A 10 -75.388 32.689 -86.220 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -76.224 34.749 -87.139 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -77.373 33.478 -87.508 1.00 19.78 H new ATOM 150 N ASP A 11 -76.574 34.144 -83.528 1.00 18.38 N ATOM 151 CA ASP A 11 -76.184 34.832 -82.304 1.00 18.04 C ATOM 152 C ASP A 11 -75.273 33.944 -81.466 1.00 17.56 C ATOM 153 O ASP A 11 -74.344 34.424 -80.818 1.00 17.42 O ATOM 154 CB ASP A 11 -77.419 35.235 -81.500 1.00 17.93 C ATOM 155 CG ASP A 11 -77.071 36.028 -80.255 1.00 17.97 C ATOM 156 OD1 ASP A 11 -76.612 37.180 -80.389 1.00 17.99 O ATOM 157 OD2 ASP A 11 -77.237 35.500 -79.135 1.00 18.05 O ATOM 0 H ASP A 11 -77.552 33.857 -83.556 1.00 18.38 H new ATOM 0 HA ASP A 11 -75.638 35.736 -82.574 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -78.081 35.828 -82.131 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -77.970 34.339 -81.214 1.00 17.93 H new ATOM 162 N ILE A 12 -75.535 32.641 -81.496 1.00 17.40 N ATOM 163 CA ILE A 12 -74.686 31.676 -80.811 1.00 17.12 C ATOM 164 C ILE A 12 -73.298 31.663 -81.428 1.00 17.38 C ATOM 165 O ILE A 12 -72.301 31.616 -80.723 1.00 17.18 O ATOM 166 CB ILE A 12 -75.252 30.252 -80.884 1.00 17.14 C ATOM 167 CG1 ILE A 12 -76.679 30.217 -80.336 1.00 16.99 C ATOM 168 CG2 ILE A 12 -74.354 29.287 -80.114 1.00 17.02 C ATOM 169 CD1 ILE A 12 -77.390 28.906 -80.580 1.00 17.20 C ATOM 0 H ILE A 12 -76.329 32.230 -81.988 1.00 17.40 H new ATOM 0 HA ILE A 12 -74.643 31.986 -79.767 1.00 17.12 H new ATOM 0 HB ILE A 12 -75.279 29.939 -81.928 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -76.652 30.412 -79.264 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -77.254 31.023 -80.792 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -74.767 28.280 -80.174 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -73.354 29.296 -80.548 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -74.299 29.595 -79.070 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -78.396 28.955 -80.164 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -77.449 28.718 -81.652 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -76.838 28.098 -80.100 1.00 17.20 H new ATOM 181 N ILE A 13 -73.255 31.667 -82.752 1.00 17.90 N ATOM 182 CA ILE A 13 -71.997 31.792 -83.486 1.00 18.37 C ATOM 183 C ILE A 13 -71.181 32.970 -82.954 1.00 18.32 C ATOM 184 O ILE A 13 -69.989 32.839 -82.676 1.00 18.33 O ATOM 185 CB ILE A 13 -72.247 31.979 -84.999 1.00 19.08 C ATOM 186 CG1 ILE A 13 -72.771 30.678 -85.608 1.00 19.19 C ATOM 187 CG2 ILE A 13 -70.978 32.428 -85.716 1.00 19.74 C ATOM 188 CD1 ILE A 13 -73.520 30.872 -86.907 1.00 19.76 C ATOM 0 H ILE A 13 -74.080 31.585 -83.346 1.00 17.90 H new ATOM 0 HA ILE A 13 -71.437 30.868 -83.338 1.00 18.37 H new ATOM 0 HB ILE A 13 -72.997 32.759 -85.127 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -71.932 30.004 -85.780 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -73.429 30.190 -84.889 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -71.185 32.551 -86.779 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -70.641 33.377 -85.299 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -70.200 31.677 -85.583 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -73.861 29.906 -87.278 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -74.380 31.520 -86.738 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -72.860 31.331 -87.643 1.00 19.76 H new ATOM 200 N LYS A 14 -71.841 34.113 -82.809 1.00 18.34 N ATOM 201 CA LYS A 14 -71.220 35.293 -82.211 1.00 18.38 C ATOM 202 C LYS A 14 -70.765 34.997 -80.784 1.00 17.73 C ATOM 203 O LYS A 14 -69.632 35.300 -80.398 1.00 17.76 O ATOM 204 CB LYS A 14 -72.206 36.461 -82.198 1.00 18.59 C ATOM 205 CG LYS A 14 -72.784 36.794 -83.564 1.00 19.27 C ATOM 206 CD LYS A 14 -71.739 37.402 -84.485 1.00 19.91 C ATOM 207 CE LYS A 14 -72.279 37.584 -85.896 1.00 20.52 C ATOM 208 NZ LYS A 14 -72.814 38.953 -86.117 1.00 21.03 N ATOM 0 H LYS A 14 -72.810 34.250 -83.098 1.00 18.34 H new ATOM 0 HA LYS A 14 -70.351 35.560 -82.812 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -73.023 36.226 -81.516 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -71.704 37.344 -81.802 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -73.187 35.889 -84.019 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -73.615 37.490 -83.448 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -71.420 38.366 -84.089 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -70.858 36.761 -84.511 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -71.485 37.385 -86.616 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -73.067 36.853 -86.079 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -73.171 39.033 -87.090 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -73.589 39.135 -85.448 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -72.057 39.650 -85.968 1.00 21.03 H new ATOM 222 N LEU A 15 -71.658 34.390 -80.010 1.00 17.23 N ATOM 223 CA LEU A 15 -71.372 34.015 -78.630 1.00 16.69 C ATOM 224 C LEU A 15 -70.201 33.040 -78.558 1.00 16.61 C ATOM 225 O LEU A 15 -69.473 33.001 -77.568 1.00 16.40 O ATOM 226 CB LEU A 15 -72.610 33.388 -77.986 1.00 16.34 C ATOM 227 CG LEU A 15 -73.072 34.048 -76.687 1.00 16.28 C ATOM 228 CD1 LEU A 15 -73.448 35.499 -76.930 1.00 16.26 C ATOM 229 CD2 LEU A 15 -74.245 33.283 -76.094 1.00 16.28 C ATOM 0 H LEU A 15 -72.598 34.145 -80.320 1.00 17.23 H new ATOM 0 HA LEU A 15 -71.101 34.919 -78.084 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -73.430 33.422 -78.704 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -72.403 32.336 -77.787 1.00 16.34 H new ATOM 0 HG LEU A 15 -72.248 34.024 -75.974 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -73.774 35.952 -75.994 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -72.583 36.040 -77.313 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -74.257 35.548 -77.658 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -74.563 33.764 -75.169 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -75.072 33.278 -76.804 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -73.941 32.258 -75.883 1.00 16.28 H new ATOM 241 N ASN A 16 -70.030 32.260 -79.613 1.00 16.87 N ATOM 242 CA ASN A 16 -68.952 31.287 -79.687 1.00 17.01 C ATOM 243 C ASN A 16 -67.633 31.981 -80.001 1.00 17.40 C ATOM 244 O ASN A 16 -66.567 31.541 -79.575 1.00 17.38 O ATOM 245 CB ASN A 16 -69.249 30.232 -80.751 1.00 17.36 C ATOM 246 CG ASN A 16 -69.950 29.025 -80.168 1.00 17.34 C ATOM 247 OD1 ASN A 16 -69.358 27.959 -80.011 1.00 17.60 O ATOM 248 ND2 ASN A 16 -71.220 29.188 -79.840 1.00 17.15 N ATOM 0 H ASN A 16 -70.630 32.283 -80.437 1.00 16.87 H new ATOM 0 HA ASN A 16 -68.873 30.793 -78.718 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -69.870 30.670 -81.533 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -68.317 29.919 -81.222 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -71.747 28.412 -79.440 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -71.673 30.090 -79.987 1.00 17.15 H new ATOM 255 N ARG A 17 -67.724 33.083 -80.740 1.00 17.84 N ATOM 256 CA ARG A 17 -66.551 33.864 -81.114 1.00 18.36 C ATOM 257 C ARG A 17 -65.931 34.514 -79.883 1.00 18.04 C ATOM 258 O ARG A 17 -64.711 34.570 -79.745 1.00 18.25 O ATOM 259 CB ARG A 17 -66.926 34.944 -82.129 1.00 19.06 C ATOM 260 CG ARG A 17 -67.095 34.426 -83.546 1.00 19.37 C ATOM 261 CD ARG A 17 -68.219 35.151 -84.267 1.00 19.91 C ATOM 262 NE ARG A 17 -67.812 35.619 -85.589 1.00 20.74 N ATOM 263 CZ ARG A 17 -67.750 36.902 -85.943 1.00 21.41 C ATOM 264 NH1 ARG A 17 -68.073 37.855 -85.075 1.00 21.38 N ATOM 265 NH2 ARG A 17 -67.363 37.234 -87.170 1.00 22.20 N ATOM 0 H ARG A 17 -68.605 33.457 -81.093 1.00 17.84 H new ATOM 0 HA ARG A 17 -65.824 33.189 -81.566 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -67.855 35.418 -81.813 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -66.156 35.716 -82.124 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -66.163 34.556 -84.097 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -67.305 33.357 -83.522 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -69.075 34.483 -84.367 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -68.546 36.000 -83.667 1.00 19.91 H new ATOM 0 HE ARG A 17 -67.559 34.919 -86.286 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -68.370 37.606 -84.132 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -68.023 38.835 -85.352 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -67.114 36.507 -87.840 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -67.315 38.216 -87.442 1.00 22.20 H new ATOM 279 N ASN A 18 -66.780 35.001 -78.987 1.00 17.62 N ATOM 280 CA ASN A 18 -66.303 35.618 -77.753 1.00 17.37 C ATOM 281 C ASN A 18 -66.157 34.577 -76.646 1.00 16.66 C ATOM 282 O ASN A 18 -65.862 34.912 -75.497 1.00 16.34 O ATOM 283 CB ASN A 18 -67.244 36.746 -77.306 1.00 17.47 C ATOM 284 CG ASN A 18 -68.555 36.245 -76.723 1.00 17.64 C ATOM 285 OD1 ASN A 18 -69.504 35.974 -77.451 1.00 17.99 O ATOM 286 ND2 ASN A 18 -68.621 36.138 -75.405 1.00 17.50 N ATOM 0 H ASN A 18 -67.795 34.982 -79.089 1.00 17.62 H new ATOM 0 HA ASN A 18 -65.321 36.048 -77.952 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -66.736 37.360 -76.562 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -67.457 37.390 -78.159 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -69.483 35.821 -74.962 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -67.810 36.373 -74.833 1.00 17.50 H new ATOM 700 N ALA A 44 -23.559 19.657 -48.682 1.00 11.18 N ATOM 701 CA ALA A 44 -23.003 20.658 -47.784 1.00 10.95 C ATOM 702 C ALA A 44 -23.259 20.292 -46.326 1.00 11.14 C ATOM 703 O ALA A 44 -24.395 20.349 -45.858 1.00 11.37 O ATOM 704 CB ALA A 44 -23.590 22.026 -48.093 1.00 10.91 C ATOM 0 HA ALA A 44 -21.925 20.690 -47.940 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -23.166 22.766 -47.414 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -23.354 22.299 -49.121 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -24.672 21.995 -47.965 1.00 10.91 H new ATOM 710 N PRO A 45 -22.204 19.872 -45.605 1.00 11.20 N ATOM 711 CA PRO A 45 -22.270 19.557 -44.169 1.00 11.61 C ATOM 712 C PRO A 45 -22.926 20.661 -43.338 1.00 11.90 C ATOM 713 O PRO A 45 -24.074 20.532 -42.912 1.00 12.39 O ATOM 714 CB PRO A 45 -20.793 19.424 -43.797 1.00 11.62 C ATOM 715 CG PRO A 45 -20.160 18.908 -45.031 1.00 11.27 C ATOM 716 CD PRO A 45 -20.854 19.628 -46.148 1.00 11.04 C ATOM 0 HA PRO A 45 -22.876 18.673 -43.972 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -20.368 20.383 -43.501 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -20.652 18.740 -42.960 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -19.088 19.106 -45.038 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -20.285 17.829 -45.118 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -20.348 20.559 -46.402 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -20.888 19.025 -47.056 1.00 11.04 H new ATOM 724 N TYR A 46 -22.185 21.737 -43.108 1.00 11.78 N ATOM 725 CA TYR A 46 -22.687 22.856 -42.328 1.00 12.25 C ATOM 726 C TYR A 46 -23.158 23.964 -43.257 1.00 12.17 C ATOM 727 O TYR A 46 -24.295 24.428 -43.174 1.00 12.24 O ATOM 728 CB TYR A 46 -21.590 23.385 -41.399 1.00 12.71 C ATOM 729 CG TYR A 46 -22.056 23.640 -39.984 1.00 13.40 C ATOM 730 CD1 TYR A 46 -22.942 24.671 -39.697 1.00 13.66 C ATOM 731 CD2 TYR A 46 -21.599 22.856 -38.933 1.00 13.96 C ATOM 732 CE1 TYR A 46 -23.362 24.911 -38.403 1.00 14.45 C ATOM 733 CE2 TYR A 46 -22.014 23.091 -37.636 1.00 14.73 C ATOM 734 CZ TYR A 46 -22.893 24.118 -37.377 1.00 14.98 C ATOM 735 OH TYR A 46 -23.305 24.358 -36.084 1.00 15.86 O ATOM 0 H TYR A 46 -21.232 21.857 -43.452 1.00 11.78 H new ATOM 0 HA TYR A 46 -23.528 22.516 -41.723 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -20.769 22.668 -41.377 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -21.193 24.312 -41.813 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -23.308 25.295 -40.499 1.00 13.66 H new ATOM 0 HD2 TYR A 46 -20.908 22.050 -39.132 1.00 13.96 H new ATOM 0 HE1 TYR A 46 -24.053 25.715 -38.196 1.00 14.45 H new ATOM 0 HE2 TYR A 46 -21.650 22.472 -36.829 1.00 14.73 H new ATOM 0 HH TYR A 46 -22.884 23.710 -35.481 1.00 15.86 H new ATOM 745 N SER A 47 -22.272 24.374 -44.148 1.00 12.21 N ATOM 746 CA SER A 47 -22.585 25.407 -45.120 1.00 12.38 C ATOM 747 C SER A 47 -22.064 25.018 -46.499 1.00 11.92 C ATOM 748 O SER A 47 -22.710 25.286 -47.514 1.00 11.98 O ATOM 749 CB SER A 47 -21.983 26.742 -44.680 1.00 12.96 C ATOM 750 OG SER A 47 -21.714 26.745 -43.286 1.00 13.21 O ATOM 0 H SER A 47 -21.324 24.004 -44.218 1.00 12.21 H new ATOM 0 HA SER A 47 -23.668 25.513 -45.180 1.00 12.38 H new ATOM 0 HB2 SER A 47 -21.062 26.929 -45.232 1.00 12.96 H new ATOM 0 HB3 SER A 47 -22.670 27.552 -44.923 1.00 12.96 H new ATOM 0 HG SER A 47 -21.328 27.608 -43.029 1.00 13.21 H new ATOM 756 N ARG A 48 -20.911 24.361 -46.526 1.00 11.60 N ATOM 757 CA ARG A 48 -20.272 23.985 -47.780 1.00 11.33 C ATOM 758 C ARG A 48 -19.645 22.597 -47.675 1.00 10.91 C ATOM 759 O ARG A 48 -19.136 22.226 -46.616 1.00 10.95 O ATOM 760 CB ARG A 48 -19.202 25.010 -48.152 1.00 11.76 C ATOM 761 CG ARG A 48 -19.506 25.766 -49.431 1.00 12.38 C ATOM 762 CD ARG A 48 -18.291 25.830 -50.340 1.00 12.85 C ATOM 763 NE ARG A 48 -18.137 27.152 -50.941 1.00 12.95 N ATOM 764 CZ ARG A 48 -18.710 27.523 -52.086 1.00 13.65 C ATOM 765 NH1 ARG A 48 -19.447 26.659 -52.777 1.00 14.27 N ATOM 766 NH2 ARG A 48 -18.540 28.756 -52.545 1.00 13.88 N ATOM 0 H ARG A 48 -20.398 24.077 -45.691 1.00 11.60 H new ATOM 0 HA ARG A 48 -21.035 23.962 -48.558 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -19.094 25.723 -47.335 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -18.244 24.501 -48.259 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -20.329 25.281 -49.955 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -19.834 26.777 -49.189 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -17.396 25.583 -49.769 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -18.385 25.081 -51.126 1.00 12.85 H new ATOM 0 HE ARG A 48 -17.555 27.834 -50.454 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -19.576 25.708 -52.432 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -19.884 26.947 -53.653 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -17.970 29.421 -52.022 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -18.979 29.039 -53.421 1.00 13.88 H new ATOM 780 N PRO A 49 -19.715 21.812 -48.768 1.00 10.69 N ATOM 781 CA PRO A 49 -19.072 20.498 -48.874 1.00 10.51 C ATOM 782 C PRO A 49 -17.666 20.473 -48.292 1.00 10.52 C ATOM 783 O PRO A 49 -16.918 21.452 -48.376 1.00 10.80 O ATOM 784 CB PRO A 49 -19.030 20.259 -50.379 1.00 10.63 C ATOM 785 CG PRO A 49 -20.234 20.963 -50.901 1.00 10.68 C ATOM 786 CD PRO A 49 -20.472 22.141 -49.986 1.00 10.80 C ATOM 0 HA PRO A 49 -19.613 19.736 -48.313 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -18.115 20.657 -50.819 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -19.060 19.195 -50.613 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -20.075 21.295 -51.927 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -21.098 20.299 -50.911 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -20.121 23.070 -50.434 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -21.533 22.271 -49.772 1.00 10.80 H new ATOM 794 N LYS A 50 -17.310 19.348 -47.700 1.00 10.36 N ATOM 795 CA LYS A 50 -16.032 19.215 -47.032 1.00 10.37 C ATOM 796 C LYS A 50 -15.145 18.203 -47.744 1.00 10.32 C ATOM 797 O LYS A 50 -15.389 16.997 -47.681 1.00 10.35 O ATOM 798 CB LYS A 50 -16.240 18.788 -45.578 1.00 10.47 C ATOM 799 CG LYS A 50 -16.585 19.937 -44.648 1.00 10.65 C ATOM 800 CD LYS A 50 -15.621 20.009 -43.474 1.00 10.86 C ATOM 801 CE LYS A 50 -14.590 21.109 -43.667 1.00 11.05 C ATOM 802 NZ LYS A 50 -15.188 22.458 -43.514 1.00 11.40 N ATOM 0 H LYS A 50 -17.892 18.511 -47.669 1.00 10.36 H new ATOM 0 HA LYS A 50 -15.536 20.185 -47.057 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -17.038 18.047 -45.537 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -15.334 18.301 -45.218 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -16.558 20.876 -45.201 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -17.603 19.815 -44.278 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -16.178 20.188 -42.555 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -15.115 19.051 -43.358 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -13.785 20.984 -42.943 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -14.144 21.019 -44.658 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -14.431 23.162 -43.398 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -15.748 22.687 -44.360 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -15.804 22.472 -42.676 1.00 11.40 H new ATOM 816 N PRO A 51 -14.107 18.690 -48.442 1.00 10.48 N ATOM 817 CA PRO A 51 -13.101 17.832 -49.073 1.00 10.66 C ATOM 818 C PRO A 51 -12.172 17.222 -48.029 1.00 10.49 C ATOM 819 O PRO A 51 -11.484 16.234 -48.277 1.00 10.76 O ATOM 820 CB PRO A 51 -12.320 18.790 -49.989 1.00 11.11 C ATOM 821 CG PRO A 51 -13.093 20.069 -49.995 1.00 11.13 C ATOM 822 CD PRO A 51 -13.841 20.109 -48.697 1.00 10.75 C ATOM 0 HA PRO A 51 -13.546 16.995 -49.611 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -11.307 18.947 -49.618 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -12.231 18.382 -50.996 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -12.427 20.927 -50.087 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -13.779 20.106 -50.841 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -13.249 20.561 -47.901 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -14.762 20.687 -48.777 1.00 10.75 H new ATOM 1136 N GLY A 74 -3.263 7.001 -9.450 1.00 10.27 N ATOM 1137 CA GLY A 74 -3.284 6.889 -8.008 1.00 10.44 C ATOM 1138 C GLY A 74 -1.984 7.355 -7.398 1.00 10.53 C ATOM 1139 O GLY A 74 -1.211 8.052 -8.047 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.108 7.481 -7.608 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -3.469 5.853 -7.725 1.00 10.44 H new ATOM 1143 N ALA A 75 -1.729 6.961 -6.165 1.00 10.31 N ATOM 1144 CA ALA A 75 -0.510 7.368 -5.494 1.00 10.45 C ATOM 1145 C ALA A 75 0.471 6.207 -5.448 1.00 10.02 C ATOM 1146 O ALA A 75 0.276 5.249 -4.703 1.00 9.68 O ATOM 1147 CB ALA A 75 -0.822 7.883 -4.100 1.00 10.74 C ATOM 0 H ALA A 75 -2.344 6.364 -5.612 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.047 8.181 -6.054 1.00 10.45 H new ATOM 0 HB1 ALA A 75 0.103 8.185 -3.608 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -1.492 8.740 -4.170 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.301 7.094 -3.520 1.00 10.74 H new ATOM 1153 N LYS A 76 1.518 6.296 -6.253 1.00 10.22 N ATOM 1154 CA LYS A 76 2.459 5.194 -6.403 1.00 9.99 C ATOM 1155 C LYS A 76 3.736 5.435 -5.607 1.00 10.09 C ATOM 1156 O LYS A 76 4.359 6.492 -5.705 1.00 10.63 O ATOM 1157 CB LYS A 76 2.785 4.996 -7.890 1.00 10.41 C ATOM 1158 CG LYS A 76 4.220 4.574 -8.172 1.00 10.50 C ATOM 1159 CD LYS A 76 4.292 3.516 -9.260 1.00 11.20 C ATOM 1160 CE LYS A 76 3.742 4.030 -10.581 1.00 11.56 C ATOM 1161 NZ LYS A 76 3.613 2.944 -11.584 1.00 11.62 N ATOM 0 H LYS A 76 1.739 7.119 -6.813 1.00 10.22 H new ATOM 0 HA LYS A 76 1.994 4.291 -6.008 1.00 9.99 H new ATOM 0 HB2 LYS A 76 2.111 4.243 -8.299 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.583 5.927 -8.420 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.803 5.445 -8.472 1.00 10.50 H new ATOM 0 HG3 LYS A 76 4.672 4.188 -7.258 1.00 10.50 H new ATOM 0 HD2 LYS A 76 5.327 3.202 -9.394 1.00 11.20 H new ATOM 0 HD3 LYS A 76 3.729 2.636 -8.949 1.00 11.20 H new ATOM 0 HE2 LYS A 76 2.767 4.489 -10.415 1.00 11.56 H new ATOM 0 HE3 LYS A 76 4.399 4.808 -10.970 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 3.235 3.334 -12.471 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 4.547 2.522 -11.761 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 2.966 2.214 -11.224 1.00 11.62 H new ATOM 1175 N LEU A 77 4.097 4.448 -4.804 1.00 9.69 N ATOM 1176 CA LEU A 77 5.331 4.472 -4.040 1.00 9.77 C ATOM 1177 C LEU A 77 6.168 3.241 -4.372 1.00 9.68 C ATOM 1178 O LEU A 77 5.686 2.111 -4.285 1.00 9.42 O ATOM 1179 CB LEU A 77 5.005 4.507 -2.541 1.00 9.58 C ATOM 1180 CG LEU A 77 6.196 4.545 -1.566 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.688 3.149 -1.251 1.00 9.26 C ATOM 1182 CD2 LEU A 77 7.333 5.391 -2.105 1.00 10.17 C ATOM 0 H LEU A 77 3.540 3.605 -4.664 1.00 9.69 H new ATOM 0 HA LEU A 77 5.903 5.363 -4.299 1.00 9.77 H new ATOM 0 HB2 LEU A 77 4.383 5.382 -2.350 1.00 9.58 H new ATOM 0 HB3 LEU A 77 4.402 3.630 -2.305 1.00 9.58 H new ATOM 0 HG LEU A 77 5.840 5.005 -0.644 1.00 9.63 H new ATOM 0 HD11 LEU A 77 7.529 3.207 -0.560 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.883 2.574 -0.794 1.00 9.26 H new ATOM 0 HD13 LEU A 77 7.007 2.659 -2.171 1.00 9.26 H new ATOM 0 HD21 LEU A 77 8.155 5.394 -1.389 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.678 4.976 -3.052 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.984 6.412 -2.261 1.00 10.17 H new ATOM 1194 N LEU A 78 7.411 3.465 -4.754 1.00 10.10 N ATOM 1195 CA LEU A 78 8.339 2.373 -5.005 1.00 10.21 C ATOM 1196 C LEU A 78 9.490 2.416 -4.002 1.00 10.19 C ATOM 1197 O LEU A 78 10.271 3.369 -3.988 1.00 10.62 O ATOM 1198 CB LEU A 78 8.880 2.454 -6.434 1.00 10.97 C ATOM 1199 CG LEU A 78 7.818 2.601 -7.525 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.313 3.513 -8.634 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.435 1.237 -8.082 1.00 10.95 C ATOM 0 H LEU A 78 7.804 4.395 -4.898 1.00 10.10 H new ATOM 0 HA LEU A 78 7.806 1.429 -4.886 1.00 10.21 H new ATOM 0 HB2 LEU A 78 9.564 3.300 -6.499 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.464 1.556 -6.636 1.00 10.97 H new ATOM 0 HG LEU A 78 6.930 3.053 -7.083 1.00 11.03 H new ATOM 0 HD11 LEU A 78 7.543 3.605 -9.400 1.00 11.63 H new ATOM 0 HD12 LEU A 78 8.535 4.498 -8.223 1.00 11.63 H new ATOM 0 HD13 LEU A 78 9.216 3.092 -9.076 1.00 11.63 H new ATOM 0 HD21 LEU A 78 6.678 1.360 -8.857 1.00 10.95 H new ATOM 0 HD22 LEU A 78 8.316 0.757 -8.508 1.00 10.95 H new ATOM 0 HD23 LEU A 78 7.036 0.616 -7.280 1.00 10.95 H new ATOM 1213 N VAL A 79 9.584 1.390 -3.161 1.00 9.81 N ATOM 1214 CA VAL A 79 10.626 1.329 -2.132 1.00 9.81 C ATOM 1215 C VAL A 79 11.701 0.319 -2.495 1.00 10.08 C ATOM 1216 O VAL A 79 11.414 -0.861 -2.664 1.00 10.09 O ATOM 1217 CB VAL A 79 10.074 0.938 -0.743 1.00 9.37 C ATOM 1218 CG1 VAL A 79 10.220 2.084 0.240 1.00 9.42 C ATOM 1219 CG2 VAL A 79 8.629 0.486 -0.830 1.00 9.16 C ATOM 0 H VAL A 79 8.953 0.588 -3.169 1.00 9.81 H new ATOM 0 HA VAL A 79 11.040 2.336 -2.084 1.00 9.81 H new ATOM 0 HB VAL A 79 10.665 0.098 -0.378 1.00 9.37 H new ATOM 0 HG11 VAL A 79 9.824 1.784 1.210 1.00 9.42 H new ATOM 0 HG12 VAL A 79 11.274 2.343 0.342 1.00 9.42 H new ATOM 0 HG13 VAL A 79 9.667 2.949 -0.125 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.271 0.218 0.164 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.018 1.295 -1.230 1.00 9.16 H new ATOM 0 HG23 VAL A 79 8.558 -0.381 -1.487 1.00 9.16 H new ATOM 1229 N SER A 80 12.933 0.783 -2.611 1.00 10.48 N ATOM 1230 CA SER A 80 14.062 -0.105 -2.835 1.00 10.87 C ATOM 1231 C SER A 80 15.066 0.047 -1.697 1.00 10.93 C ATOM 1232 O SER A 80 15.548 1.150 -1.431 1.00 11.28 O ATOM 1233 CB SER A 80 14.723 0.202 -4.182 1.00 11.70 C ATOM 1234 OG SER A 80 14.042 1.253 -4.855 1.00 11.92 O ATOM 0 H SER A 80 13.178 1.771 -2.554 1.00 10.48 H new ATOM 0 HA SER A 80 13.708 -1.136 -2.858 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.765 0.481 -4.025 1.00 11.70 H new ATOM 0 HB3 SER A 80 14.723 -0.693 -4.804 1.00 11.70 H new ATOM 0 HG SER A 80 14.677 1.966 -5.075 1.00 11.92 H new ATOM 1240 N ASN A 81 15.373 -1.045 -1.015 1.00 10.71 N ATOM 1241 CA ASN A 81 16.269 -0.989 0.134 1.00 10.82 C ATOM 1242 C ASN A 81 16.675 -2.380 0.590 1.00 11.07 C ATOM 1243 O ASN A 81 17.868 -2.687 0.655 1.00 11.33 O ATOM 1244 CB ASN A 81 15.613 -0.240 1.296 1.00 10.85 C ATOM 1245 CG ASN A 81 16.598 0.091 2.401 1.00 11.09 C ATOM 1246 OD1 ASN A 81 16.444 -0.352 3.534 1.00 11.13 O ATOM 1247 ND2 ASN A 81 17.619 0.870 2.075 1.00 11.43 N ATOM 0 H ASN A 81 15.019 -1.976 -1.233 1.00 10.71 H new ATOM 0 HA ASN A 81 17.165 -0.453 -0.179 1.00 10.82 H new ATOM 0 HB2 ASN A 81 15.165 0.682 0.924 1.00 10.85 H new ATOM 0 HB3 ASN A 81 14.804 -0.845 1.704 1.00 10.85 H new ATOM 0 HD21 ASN A 81 18.313 1.122 2.779 1.00 11.43 H new ATOM 0 HD22 ASN A 81 17.711 1.218 1.121 1.00 11.43 H new ATOM 1254 N LEU A 82 15.674 -3.205 0.912 1.00 11.17 N ATOM 1255 CA LEU A 82 15.886 -4.574 1.400 1.00 11.63 C ATOM 1256 C LEU A 82 16.428 -4.569 2.832 1.00 11.86 C ATOM 1257 O LEU A 82 15.802 -5.131 3.734 1.00 12.01 O ATOM 1258 CB LEU A 82 16.827 -5.359 0.471 1.00 12.01 C ATOM 1259 CG LEU A 82 16.667 -6.886 0.488 1.00 12.36 C ATOM 1260 CD1 LEU A 82 17.614 -7.513 1.498 1.00 12.48 C ATOM 1261 CD2 LEU A 82 15.227 -7.284 0.787 1.00 12.61 C ATOM 0 H LEU A 82 14.691 -2.943 0.842 1.00 11.17 H new ATOM 0 HA LEU A 82 14.918 -5.075 1.401 1.00 11.63 H new ATOM 0 HB2 LEU A 82 16.674 -5.008 -0.550 1.00 12.01 H new ATOM 0 HB3 LEU A 82 17.855 -5.118 0.740 1.00 12.01 H new ATOM 0 HG LEU A 82 16.921 -7.260 -0.504 1.00 12.36 H new ATOM 0 HD11 LEU A 82 17.485 -8.595 1.495 1.00 12.48 H new ATOM 0 HD12 LEU A 82 18.643 -7.269 1.232 1.00 12.48 H new ATOM 0 HD13 LEU A 82 17.394 -7.125 2.492 1.00 12.48 H new ATOM 0 HD21 LEU A 82 15.144 -8.371 0.793 1.00 12.61 H new ATOM 0 HD22 LEU A 82 14.936 -6.893 1.762 1.00 12.61 H new ATOM 0 HD23 LEU A 82 14.569 -6.874 0.021 1.00 12.61 H new ATOM 1273 N ASP A 83 17.580 -3.930 3.025 1.00 12.07 N ATOM 1274 CA ASP A 83 18.242 -3.869 4.329 1.00 12.45 C ATOM 1275 C ASP A 83 18.597 -5.279 4.809 1.00 12.57 C ATOM 1276 O ASP A 83 19.431 -5.951 4.199 1.00 13.12 O ATOM 1277 CB ASP A 83 17.363 -3.131 5.353 1.00 12.62 C ATOM 1278 CG ASP A 83 18.053 -2.929 6.689 1.00 13.10 C ATOM 1279 OD1 ASP A 83 19.176 -2.384 6.695 1.00 13.12 O ATOM 1280 OD2 ASP A 83 17.472 -3.300 7.727 1.00 13.59 O ATOM 0 H ASP A 83 18.081 -3.440 2.284 1.00 12.07 H new ATOM 0 HA ASP A 83 19.169 -3.304 4.226 1.00 12.45 H new ATOM 0 HB2 ASP A 83 17.078 -2.160 4.947 1.00 12.62 H new ATOM 0 HB3 ASP A 83 16.443 -3.695 5.507 1.00 12.62 H new ATOM 1285 N PHE A 84 17.967 -5.731 5.885 1.00 12.22 N ATOM 1286 CA PHE A 84 18.189 -7.077 6.391 1.00 12.46 C ATOM 1287 C PHE A 84 17.286 -8.071 5.667 1.00 12.41 C ATOM 1288 O PHE A 84 17.484 -9.285 5.741 1.00 12.73 O ATOM 1289 CB PHE A 84 17.931 -7.127 7.905 1.00 12.51 C ATOM 1290 CG PHE A 84 16.482 -7.297 8.273 1.00 12.50 C ATOM 1291 CD1 PHE A 84 15.568 -6.288 8.020 1.00 12.69 C ATOM 1292 CD2 PHE A 84 16.036 -8.464 8.875 1.00 12.45 C ATOM 1293 CE1 PHE A 84 14.238 -6.438 8.361 1.00 12.83 C ATOM 1294 CE2 PHE A 84 14.709 -8.619 9.218 1.00 12.59 C ATOM 1295 CZ PHE A 84 13.807 -7.624 8.944 1.00 12.79 C ATOM 0 H PHE A 84 17.297 -5.183 6.425 1.00 12.22 H new ATOM 0 HA PHE A 84 19.227 -7.351 6.206 1.00 12.46 H new ATOM 0 HB2 PHE A 84 18.503 -7.950 8.334 1.00 12.51 H new ATOM 0 HB3 PHE A 84 18.305 -6.209 8.358 1.00 12.51 H new ATOM 0 HD1 PHE A 84 15.899 -5.373 7.551 1.00 12.69 H new ATOM 0 HD2 PHE A 84 16.736 -9.261 9.078 1.00 12.45 H new ATOM 0 HE1 PHE A 84 13.537 -5.638 8.176 1.00 12.83 H new ATOM 0 HE2 PHE A 84 14.380 -9.526 9.703 1.00 12.59 H new ATOM 0 HZ PHE A 84 12.762 -7.761 9.181 1.00 12.79 H new ATOM 1305 N GLY A 85 16.301 -7.542 4.960 1.00 12.18 N ATOM 1306 CA GLY A 85 15.339 -8.375 4.278 1.00 12.33 C ATOM 1307 C GLY A 85 13.926 -8.089 4.736 1.00 12.00 C ATOM 1308 O GLY A 85 13.260 -8.959 5.294 1.00 12.39 O ATOM 0 H GLY A 85 16.151 -6.539 4.847 1.00 12.18 H new ATOM 0 HA2 GLY A 85 15.413 -8.211 3.203 1.00 12.33 H new ATOM 0 HA3 GLY A 85 15.574 -9.424 4.457 1.00 12.33 H new ATOM 1312 N VAL A 86 13.477 -6.855 4.529 1.00 11.43 N ATOM 1313 CA VAL A 86 12.115 -6.476 4.887 1.00 11.18 C ATOM 1314 C VAL A 86 11.119 -7.189 3.987 1.00 11.50 C ATOM 1315 O VAL A 86 11.060 -6.940 2.782 1.00 11.42 O ATOM 1316 CB VAL A 86 11.887 -4.951 4.798 1.00 10.44 C ATOM 1317 CG1 VAL A 86 12.310 -4.271 6.090 1.00 10.36 C ATOM 1318 CG2 VAL A 86 12.625 -4.348 3.608 1.00 10.15 C ATOM 0 H VAL A 86 14.032 -6.105 4.118 1.00 11.43 H new ATOM 0 HA VAL A 86 11.963 -6.775 5.924 1.00 11.18 H new ATOM 0 HB VAL A 86 10.821 -4.782 4.649 1.00 10.44 H new ATOM 0 HG11 VAL A 86 12.142 -3.197 6.008 1.00 10.36 H new ATOM 0 HG12 VAL A 86 11.724 -4.668 6.919 1.00 10.36 H new ATOM 0 HG13 VAL A 86 13.368 -4.460 6.271 1.00 10.36 H new ATOM 0 HG21 VAL A 86 12.444 -3.274 3.574 1.00 10.15 H new ATOM 0 HG22 VAL A 86 13.694 -4.533 3.711 1.00 10.15 H new ATOM 0 HG23 VAL A 86 12.265 -4.806 2.687 1.00 10.15 H new ATOM 1328 N SER A 87 10.361 -8.099 4.578 1.00 12.04 N ATOM 1329 CA SER A 87 9.390 -8.887 3.847 1.00 12.55 C ATOM 1330 C SER A 87 8.229 -8.036 3.341 1.00 12.18 C ATOM 1331 O SER A 87 8.101 -6.858 3.692 1.00 11.57 O ATOM 1332 CB SER A 87 8.870 -9.994 4.760 1.00 13.39 C ATOM 1333 OG SER A 87 9.513 -9.944 6.029 1.00 13.46 O ATOM 0 H SER A 87 10.404 -8.309 5.575 1.00 12.04 H new ATOM 0 HA SER A 87 9.879 -9.314 2.972 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.793 -9.890 4.888 1.00 13.39 H new ATOM 0 HB3 SER A 87 9.043 -10.965 4.297 1.00 13.39 H new ATOM 0 HG SER A 87 9.165 -10.660 6.600 1.00 13.46 H new ATOM 1339 N ASP A 88 7.383 -8.660 2.534 1.00 12.66 N ATOM 1340 CA ASP A 88 6.208 -8.000 1.972 1.00 12.44 C ATOM 1341 C ASP A 88 5.301 -7.477 3.084 1.00 12.35 C ATOM 1342 O ASP A 88 4.723 -6.399 2.971 1.00 11.82 O ATOM 1343 CB ASP A 88 5.439 -8.952 1.045 1.00 13.21 C ATOM 1344 CG ASP A 88 4.611 -9.981 1.791 1.00 13.68 C ATOM 1345 OD1 ASP A 88 5.162 -10.667 2.682 1.00 14.23 O ATOM 1346 OD2 ASP A 88 3.411 -10.118 1.484 1.00 13.63 O ATOM 0 H ASP A 88 7.489 -9.634 2.250 1.00 12.66 H new ATOM 0 HA ASP A 88 6.546 -7.150 1.379 1.00 12.44 H new ATOM 0 HB2 ASP A 88 4.783 -8.368 0.399 1.00 13.21 H new ATOM 0 HB3 ASP A 88 6.148 -9.467 0.397 1.00 13.21 H new ATOM 1351 N ALA A 89 5.209 -8.238 4.166 1.00 13.02 N ATOM 1352 CA ALA A 89 4.401 -7.851 5.309 1.00 13.24 C ATOM 1353 C ALA A 89 5.077 -6.754 6.131 1.00 12.75 C ATOM 1354 O ALA A 89 4.403 -5.887 6.689 1.00 12.82 O ATOM 1355 CB ALA A 89 4.112 -9.064 6.179 1.00 14.29 C ATOM 0 H ALA A 89 5.688 -9.132 4.274 1.00 13.02 H new ATOM 0 HA ALA A 89 3.461 -7.448 4.933 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.506 -8.763 7.033 1.00 14.29 H new ATOM 0 HB2 ALA A 89 3.572 -9.810 5.596 1.00 14.29 H new ATOM 0 HB3 ALA A 89 5.051 -9.490 6.533 1.00 14.29 H new ATOM 1361 N ASP A 90 6.408 -6.784 6.196 1.00 12.38 N ATOM 1362 CA ASP A 90 7.156 -5.823 7.002 1.00 12.03 C ATOM 1363 C ASP A 90 6.998 -4.410 6.455 1.00 11.35 C ATOM 1364 O ASP A 90 6.457 -3.532 7.128 1.00 11.52 O ATOM 1365 CB ASP A 90 8.639 -6.196 7.038 1.00 11.82 C ATOM 1366 CG ASP A 90 9.264 -5.959 8.399 1.00 12.43 C ATOM 1367 OD1 ASP A 90 9.340 -4.790 8.832 1.00 12.76 O ATOM 1368 OD2 ASP A 90 9.682 -6.947 9.043 1.00 12.67 O ATOM 0 H ASP A 90 6.988 -7.462 5.701 1.00 12.38 H new ATOM 0 HA ASP A 90 6.753 -5.852 8.014 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.753 -7.246 6.767 1.00 11.82 H new ATOM 0 HB3 ASP A 90 9.175 -5.613 6.289 1.00 11.82 H new ATOM 1373 N ILE A 91 7.493 -4.199 5.236 1.00 10.74 N ATOM 1374 CA ILE A 91 7.377 -2.907 4.561 1.00 10.19 C ATOM 1375 C ILE A 91 5.931 -2.397 4.543 1.00 10.43 C ATOM 1376 O ILE A 91 5.692 -1.190 4.634 1.00 10.36 O ATOM 1377 CB ILE A 91 7.940 -2.971 3.119 1.00 9.70 C ATOM 1378 CG1 ILE A 91 8.102 -1.563 2.542 1.00 9.11 C ATOM 1379 CG2 ILE A 91 7.054 -3.821 2.217 1.00 9.94 C ATOM 1380 CD1 ILE A 91 9.376 -0.874 2.980 1.00 9.17 C ATOM 0 H ILE A 91 7.981 -4.911 4.693 1.00 10.74 H new ATOM 0 HA ILE A 91 7.975 -2.199 5.136 1.00 10.19 H new ATOM 0 HB ILE A 91 8.921 -3.443 3.164 1.00 9.70 H new ATOM 0 HG12 ILE A 91 8.085 -1.621 1.454 1.00 9.11 H new ATOM 0 HG13 ILE A 91 7.248 -0.956 2.842 1.00 9.11 H new ATOM 0 HG21 ILE A 91 7.476 -3.846 1.212 1.00 9.94 H new ATOM 0 HG22 ILE A 91 6.998 -4.835 2.613 1.00 9.94 H new ATOM 0 HG23 ILE A 91 6.053 -3.391 2.180 1.00 9.94 H new ATOM 0 HD11 ILE A 91 9.425 0.119 2.533 1.00 9.17 H new ATOM 0 HD12 ILE A 91 9.386 -0.784 4.066 1.00 9.17 H new ATOM 0 HD13 ILE A 91 10.236 -1.460 2.656 1.00 9.17 H new ATOM 1392 N GLN A 92 4.975 -3.317 4.455 1.00 10.89 N ATOM 1393 CA GLN A 92 3.568 -2.954 4.465 1.00 11.26 C ATOM 1394 C GLN A 92 3.178 -2.388 5.826 1.00 11.84 C ATOM 1395 O GLN A 92 2.546 -1.341 5.915 1.00 11.95 O ATOM 1396 CB GLN A 92 2.694 -4.166 4.130 1.00 11.85 C ATOM 1397 CG GLN A 92 1.224 -3.826 3.934 1.00 12.25 C ATOM 1398 CD GLN A 92 0.363 -4.261 5.103 1.00 13.23 C ATOM 1399 OE1 GLN A 92 -0.145 -5.381 5.134 1.00 13.70 O ATOM 1400 NE2 GLN A 92 0.194 -3.376 6.071 1.00 13.70 N ATOM 0 H GLN A 92 5.152 -4.318 4.376 1.00 10.89 H new ATOM 0 HA GLN A 92 3.406 -2.190 3.705 1.00 11.26 H new ATOM 0 HB2 GLN A 92 3.073 -4.636 3.223 1.00 11.85 H new ATOM 0 HB3 GLN A 92 2.784 -4.900 4.931 1.00 11.85 H new ATOM 0 HG2 GLN A 92 1.120 -2.750 3.792 1.00 12.25 H new ATOM 0 HG3 GLN A 92 0.863 -4.305 3.024 1.00 12.25 H new ATOM 0 HE21 GLN A 92 0.634 -2.458 6.005 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -0.376 -3.611 6.883 1.00 13.70 H new ATOM 1409 N GLU A 93 3.559 -3.094 6.883 1.00 12.34 N ATOM 1410 CA GLU A 93 3.264 -2.658 8.244 1.00 13.06 C ATOM 1411 C GLU A 93 3.841 -1.273 8.520 1.00 12.81 C ATOM 1412 O GLU A 93 3.192 -0.434 9.145 1.00 13.39 O ATOM 1413 CB GLU A 93 3.809 -3.662 9.257 1.00 13.62 C ATOM 1414 CG GLU A 93 2.758 -4.630 9.767 1.00 14.57 C ATOM 1415 CD GLU A 93 1.866 -4.020 10.831 1.00 15.36 C ATOM 1416 OE1 GLU A 93 1.332 -2.916 10.597 1.00 15.72 O ATOM 1417 OE2 GLU A 93 1.704 -4.632 11.906 1.00 15.75 O ATOM 0 H GLU A 93 4.074 -3.973 6.825 1.00 12.34 H new ATOM 0 HA GLU A 93 2.180 -2.602 8.346 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.621 -4.226 8.798 1.00 13.62 H new ATOM 0 HB3 GLU A 93 4.235 -3.121 10.102 1.00 13.62 H new ATOM 0 HG2 GLU A 93 2.143 -4.965 8.932 1.00 14.57 H new ATOM 0 HG3 GLU A 93 3.251 -5.513 10.174 1.00 14.57 H new ATOM 1424 N LEU A 94 5.058 -1.033 8.047 1.00 12.08 N ATOM 1425 CA LEU A 94 5.706 0.261 8.232 1.00 11.97 C ATOM 1426 C LEU A 94 4.933 1.357 7.505 1.00 11.94 C ATOM 1427 O LEU A 94 4.547 2.357 8.096 1.00 12.57 O ATOM 1428 CB LEU A 94 7.148 0.223 7.717 1.00 11.31 C ATOM 1429 CG LEU A 94 7.990 -0.956 8.203 1.00 11.47 C ATOM 1430 CD1 LEU A 94 9.141 -1.217 7.245 1.00 11.42 C ATOM 1431 CD2 LEU A 94 8.513 -0.694 9.606 1.00 11.53 C ATOM 0 H LEU A 94 5.616 -1.715 7.533 1.00 12.08 H new ATOM 0 HA LEU A 94 5.717 0.481 9.300 1.00 11.97 H new ATOM 0 HB2 LEU A 94 7.126 0.206 6.627 1.00 11.31 H new ATOM 0 HB3 LEU A 94 7.645 1.147 8.011 1.00 11.31 H new ATOM 0 HG LEU A 94 7.358 -1.843 8.232 1.00 11.47 H new ATOM 0 HD11 LEU A 94 9.731 -2.060 7.606 1.00 11.42 H new ATOM 0 HD12 LEU A 94 8.746 -1.448 6.256 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.773 -0.331 7.186 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.110 -1.544 9.936 1.00 11.53 H new ATOM 0 HD22 LEU A 94 9.131 0.204 9.602 1.00 11.53 H new ATOM 0 HD23 LEU A 94 7.674 -0.554 10.287 1.00 11.53 H new ATOM 1443 N PHE A 95 4.774 1.187 6.208 1.00 11.31 N ATOM 1444 CA PHE A 95 4.007 2.135 5.409 1.00 11.29 C ATOM 1445 C PHE A 95 2.545 2.290 5.869 1.00 11.98 C ATOM 1446 O PHE A 95 1.948 3.341 5.659 1.00 12.28 O ATOM 1447 CB PHE A 95 4.084 1.777 3.932 1.00 10.57 C ATOM 1448 CG PHE A 95 4.819 2.816 3.147 1.00 10.24 C ATOM 1449 CD1 PHE A 95 6.201 2.884 3.188 1.00 9.80 C ATOM 1450 CD2 PHE A 95 4.126 3.741 2.390 1.00 10.59 C ATOM 1451 CE1 PHE A 95 6.879 3.856 2.480 1.00 9.76 C ATOM 1452 CE2 PHE A 95 4.799 4.715 1.683 1.00 10.56 C ATOM 1453 CZ PHE A 95 6.174 4.773 1.728 1.00 10.20 C ATOM 0 H PHE A 95 5.163 0.405 5.681 1.00 11.31 H new ATOM 0 HA PHE A 95 4.469 3.110 5.563 1.00 11.29 H new ATOM 0 HB2 PHE A 95 4.582 0.814 3.817 1.00 10.57 H new ATOM 0 HB3 PHE A 95 3.076 1.664 3.532 1.00 10.57 H new ATOM 0 HD1 PHE A 95 6.754 2.170 3.780 1.00 9.80 H new ATOM 0 HD2 PHE A 95 3.047 3.701 2.352 1.00 10.59 H new ATOM 0 HE1 PHE A 95 7.958 3.898 2.515 1.00 9.76 H new ATOM 0 HE2 PHE A 95 4.247 5.433 1.094 1.00 10.56 H new ATOM 0 HZ PHE A 95 6.701 5.536 1.175 1.00 10.20 H new ATOM 1463 N ALA A 96 1.967 1.262 6.485 1.00 12.37 N ATOM 1464 CA ALA A 96 0.639 1.395 7.102 1.00 13.23 C ATOM 1465 C ALA A 96 0.730 2.279 8.344 1.00 14.04 C ATOM 1466 O ALA A 96 -0.174 3.049 8.667 1.00 14.68 O ATOM 1467 CB ALA A 96 0.080 0.027 7.462 1.00 13.64 C ATOM 0 H ALA A 96 2.386 0.336 6.573 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.037 1.862 6.386 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -0.903 0.144 7.918 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.008 -0.579 6.560 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.750 -0.466 8.167 1.00 13.64 H new ATOM 1473 N GLU A 97 1.839 2.127 9.036 1.00 14.09 N ATOM 1474 CA GLU A 97 2.185 3.018 10.136 1.00 14.82 C ATOM 1475 C GLU A 97 2.301 4.449 9.602 1.00 14.74 C ATOM 1476 O GLU A 97 1.925 5.413 10.265 1.00 15.58 O ATOM 1477 CB GLU A 97 3.487 2.574 10.801 1.00 14.74 C ATOM 1478 CG GLU A 97 3.576 2.931 12.273 1.00 15.73 C ATOM 1479 CD GLU A 97 4.669 3.939 12.559 1.00 16.14 C ATOM 1480 OE1 GLU A 97 5.637 4.006 11.777 1.00 16.03 O ATOM 1481 OE2 GLU A 97 4.563 4.669 13.568 1.00 16.68 O ATOM 0 H GLU A 97 2.524 1.392 8.859 1.00 14.09 H new ATOM 0 HA GLU A 97 1.402 2.982 10.894 1.00 14.82 H new ATOM 0 HB2 GLU A 97 3.590 1.494 10.692 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.326 3.029 10.275 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.619 3.334 12.605 1.00 15.73 H new ATOM 0 HG3 GLU A 97 3.759 2.026 12.853 1.00 15.73 H new ATOM 1488 N PHE A 98 2.832 4.563 8.386 1.00 13.84 N ATOM 1489 CA PHE A 98 2.918 5.837 7.667 1.00 13.78 C ATOM 1490 C PHE A 98 1.552 6.345 7.174 1.00 14.08 C ATOM 1491 O PHE A 98 1.466 7.437 6.608 1.00 14.23 O ATOM 1492 CB PHE A 98 3.875 5.706 6.481 1.00 12.84 C ATOM 1493 CG PHE A 98 5.243 6.261 6.753 1.00 12.77 C ATOM 1494 CD1 PHE A 98 5.412 7.589 7.114 1.00 12.76 C ATOM 1495 CD2 PHE A 98 6.364 5.454 6.640 1.00 12.86 C ATOM 1496 CE1 PHE A 98 6.670 8.096 7.355 1.00 12.87 C ATOM 1497 CE2 PHE A 98 7.626 5.959 6.883 1.00 12.95 C ATOM 1498 CZ PHE A 98 7.768 7.293 7.266 1.00 12.97 C ATOM 0 H PHE A 98 3.217 3.773 7.868 1.00 13.84 H new ATOM 0 HA PHE A 98 3.295 6.572 8.378 1.00 13.78 H new ATOM 0 HB2 PHE A 98 3.965 4.654 6.211 1.00 12.84 H new ATOM 0 HB3 PHE A 98 3.447 6.220 5.620 1.00 12.84 H new ATOM 0 HD1 PHE A 98 4.549 8.232 7.207 1.00 12.76 H new ATOM 0 HD2 PHE A 98 6.249 4.418 6.358 1.00 12.86 H new ATOM 0 HE1 PHE A 98 6.787 9.137 7.616 1.00 12.87 H new ATOM 0 HE2 PHE A 98 8.495 5.327 6.778 1.00 12.95 H new ATOM 0 HZ PHE A 98 8.747 7.689 7.492 1.00 12.97 H new ATOM 1508 N GLY A 99 0.492 5.575 7.383 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.821 6.029 6.955 1.00 14.54 C ATOM 1510 C GLY A 99 -1.657 4.987 6.233 1.00 14.14 C ATOM 1511 O GLY A 99 -1.469 3.785 6.407 1.00 14.45 O ATOM 0 H GLY A 99 0.513 4.660 7.833 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -1.373 6.373 7.830 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.695 6.890 6.299 1.00 14.54 H new ATOM 1515 N THR A 100 -2.586 5.474 5.419 1.00 13.58 N ATOM 1516 CA THR A 100 -3.574 4.636 4.753 1.00 13.32 C ATOM 1517 C THR A 100 -2.968 3.864 3.582 1.00 12.31 C ATOM 1518 O THR A 100 -2.726 4.425 2.512 1.00 11.75 O ATOM 1519 CB THR A 100 -4.738 5.502 4.242 1.00 13.60 C ATOM 1520 OG1 THR A 100 -4.383 6.893 4.332 1.00 14.03 O ATOM 1521 CG2 THR A 100 -6.000 5.246 5.050 1.00 14.35 C ATOM 0 H THR A 100 -2.675 6.467 5.202 1.00 13.58 H new ATOM 0 HA THR A 100 -3.937 3.914 5.485 1.00 13.32 H new ATOM 0 HB THR A 100 -4.933 5.238 3.203 1.00 13.60 H new ATOM 0 HG1 THR A 100 -4.214 7.246 3.434 1.00 14.03 H new ATOM 0 HG21 THR A 100 -6.809 5.870 4.669 1.00 14.35 H new ATOM 0 HG22 THR A 100 -6.281 4.196 4.964 1.00 14.35 H new ATOM 0 HG23 THR A 100 -5.817 5.488 6.097 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.747 2.572 3.781 1.00 12.24 N ATOM 1530 CA LEU A 101 -2.114 1.750 2.764 1.00 11.47 C ATOM 1531 C LEU A 101 -3.137 0.960 1.956 1.00 11.61 C ATOM 1532 O LEU A 101 -3.503 -0.159 2.313 1.00 12.28 O ATOM 1533 CB LEU A 101 -1.097 0.805 3.400 1.00 11.39 C ATOM 1534 CG LEU A 101 0.363 1.203 3.190 1.00 10.65 C ATOM 1535 CD1 LEU A 101 1.273 0.013 3.413 1.00 10.24 C ATOM 1536 CD2 LEU A 101 0.570 1.776 1.797 1.00 10.45 C ATOM 0 H LEU A 101 -2.996 2.073 4.635 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.597 2.420 2.077 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -1.294 0.749 4.471 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.248 -0.196 2.995 1.00 11.39 H new ATOM 0 HG LEU A 101 0.615 1.974 3.918 1.00 10.65 H new ATOM 0 HD11 LEU A 101 2.309 0.314 3.259 1.00 10.24 H new ATOM 0 HD12 LEU A 101 1.149 -0.354 4.432 1.00 10.24 H new ATOM 0 HD13 LEU A 101 1.017 -0.778 2.708 1.00 10.24 H new ATOM 0 HD21 LEU A 101 1.617 2.053 1.669 1.00 10.45 H new ATOM 0 HD22 LEU A 101 0.299 1.028 1.052 1.00 10.45 H new ATOM 0 HD23 LEU A 101 -0.057 2.659 1.670 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.603 1.579 0.880 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.492 0.910 -0.067 1.00 11.26 C ATOM 1550 C LYS A 102 -3.842 -0.375 -0.585 1.00 11.16 C ATOM 1551 O LYS A 102 -4.449 -1.447 -0.557 1.00 11.79 O ATOM 1552 CB LYS A 102 -4.845 1.833 -1.233 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.337 1.968 -1.467 1.00 11.36 C ATOM 1554 CD LYS A 102 -6.835 0.980 -2.509 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.334 1.110 -2.726 1.00 12.20 C ATOM 1556 NZ LYS A 102 -9.084 1.118 -1.442 1.00 12.64 N ATOM 0 H LYS A 102 -3.381 2.545 0.639 1.00 11.11 H new ATOM 0 HA LYS A 102 -5.415 0.655 0.454 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -4.424 2.821 -1.045 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -4.376 1.454 -2.141 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.868 1.806 -0.529 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -6.564 2.984 -1.791 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -6.314 1.149 -3.451 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -6.599 -0.036 -2.192 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -8.543 2.029 -3.274 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -8.684 0.284 -3.345 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -10.098 0.986 -1.631 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -8.742 0.346 -0.835 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -8.937 2.028 -0.960 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.618 -0.258 -1.086 1.00 10.53 N ATOM 1571 CA LYS A 103 -1.820 -1.424 -1.452 1.00 10.59 C ATOM 1572 C LYS A 103 -0.375 -1.230 -1.036 1.00 10.09 C ATOM 1573 O LYS A 103 0.120 -0.107 -1.013 1.00 9.59 O ATOM 1574 CB LYS A 103 -1.859 -1.697 -2.960 1.00 10.70 C ATOM 1575 CG LYS A 103 -2.903 -0.904 -3.718 1.00 10.37 C ATOM 1576 CD LYS A 103 -3.775 -1.818 -4.561 1.00 10.76 C ATOM 1577 CE LYS A 103 -5.181 -1.922 -3.996 1.00 11.04 C ATOM 1578 NZ LYS A 103 -5.248 -2.825 -2.815 1.00 12.01 N ATOM 0 H LYS A 103 -2.154 0.636 -1.249 1.00 10.53 H new ATOM 0 HA LYS A 103 -2.254 -2.277 -0.930 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -0.878 -1.477 -3.381 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -2.043 -2.760 -3.119 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -3.525 -0.349 -3.015 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -2.413 -0.170 -4.358 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -3.819 -1.440 -5.582 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -3.326 -2.810 -4.607 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -5.531 -0.929 -3.712 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -5.855 -2.289 -4.770 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -6.241 -2.959 -2.536 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -4.829 -3.746 -3.058 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -4.721 -2.402 -2.025 1.00 12.01 H new ATOM 1592 N ALA A 104 0.279 -2.325 -0.691 1.00 10.38 N ATOM 1593 CA ALA A 104 1.715 -2.340 -0.451 1.00 10.01 C ATOM 1594 C ALA A 104 2.208 -3.771 -0.399 1.00 10.44 C ATOM 1595 O ALA A 104 1.759 -4.563 0.429 1.00 10.99 O ATOM 1596 CB ALA A 104 2.087 -1.610 0.823 1.00 9.89 C ATOM 0 H ALA A 104 -0.170 -3.233 -0.569 1.00 10.38 H new ATOM 0 HA ALA A 104 2.197 -1.815 -1.276 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.168 -1.647 0.961 1.00 9.89 H new ATOM 0 HB2 ALA A 104 1.765 -0.571 0.754 1.00 9.89 H new ATOM 0 HB3 ALA A 104 1.596 -2.086 1.672 1.00 9.89 H new ATOM 1602 N ALA A 105 3.112 -4.098 -1.293 1.00 10.39 N ATOM 1603 CA ALA A 105 3.652 -5.439 -1.376 1.00 10.98 C ATOM 1604 C ALA A 105 5.075 -5.384 -1.877 1.00 10.79 C ATOM 1605 O ALA A 105 5.499 -4.367 -2.415 1.00 10.39 O ATOM 1606 CB ALA A 105 2.804 -6.291 -2.302 1.00 11.52 C ATOM 0 H ALA A 105 3.493 -3.448 -1.980 1.00 10.39 H new ATOM 0 HA ALA A 105 3.640 -5.889 -0.383 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.221 -7.297 -2.355 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.785 -6.341 -1.919 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.796 -5.848 -3.298 1.00 11.52 H new ATOM 1612 N VAL A 106 5.790 -6.486 -1.757 1.00 11.23 N ATOM 1613 CA VAL A 106 7.161 -6.547 -2.217 1.00 11.21 C ATOM 1614 C VAL A 106 7.160 -7.238 -3.559 1.00 11.93 C ATOM 1615 O VAL A 106 6.600 -8.328 -3.708 1.00 12.59 O ATOM 1616 CB VAL A 106 8.065 -7.303 -1.219 1.00 11.39 C ATOM 1617 CG1 VAL A 106 9.383 -7.723 -1.856 1.00 10.93 C ATOM 1618 CG2 VAL A 106 8.312 -6.438 0.000 1.00 11.99 C ATOM 0 H VAL A 106 5.442 -7.351 -1.344 1.00 11.23 H new ATOM 0 HA VAL A 106 7.565 -5.538 -2.301 1.00 11.21 H new ATOM 0 HB VAL A 106 7.550 -8.215 -0.917 1.00 11.39 H new ATOM 0 HG11 VAL A 106 9.990 -8.252 -1.121 1.00 10.93 H new ATOM 0 HG12 VAL A 106 9.185 -8.380 -2.703 1.00 10.93 H new ATOM 0 HG13 VAL A 106 9.919 -6.838 -2.200 1.00 10.93 H new ATOM 0 HG21 VAL A 106 8.950 -6.974 0.703 1.00 11.99 H new ATOM 0 HG22 VAL A 106 8.803 -5.513 -0.303 1.00 11.99 H new ATOM 0 HG23 VAL A 106 7.361 -6.204 0.479 1.00 11.99 H new ATOM 1628 N ASP A 107 7.776 -6.604 -4.535 1.00 11.95 N ATOM 1629 CA ASP A 107 7.598 -7.006 -5.912 1.00 12.77 C ATOM 1630 C ASP A 107 8.804 -7.765 -6.399 1.00 13.21 C ATOM 1631 O ASP A 107 9.853 -7.185 -6.675 1.00 12.80 O ATOM 1632 CB ASP A 107 7.349 -5.793 -6.804 1.00 12.61 C ATOM 1633 CG ASP A 107 6.580 -6.168 -8.054 1.00 13.52 C ATOM 1634 OD1 ASP A 107 5.737 -7.087 -7.984 1.00 14.12 O ATOM 1635 OD2 ASP A 107 6.810 -5.551 -9.109 1.00 13.74 O ATOM 0 H ASP A 107 8.402 -5.810 -4.400 1.00 11.95 H new ATOM 0 HA ASP A 107 6.726 -7.658 -5.963 1.00 12.77 H new ATOM 0 HB2 ASP A 107 6.793 -5.039 -6.247 1.00 12.61 H new ATOM 0 HB3 ASP A 107 8.302 -5.344 -7.084 1.00 12.61 H new ATOM 1640 N TYR A 108 8.645 -9.065 -6.497 1.00 14.11 N ATOM 1641 CA TYR A 108 9.719 -9.927 -6.931 1.00 14.67 C ATOM 1642 C TYR A 108 9.980 -9.710 -8.412 1.00 15.44 C ATOM 1643 O TYR A 108 9.061 -9.430 -9.180 1.00 15.72 O ATOM 1644 CB TYR A 108 9.371 -11.388 -6.639 1.00 15.38 C ATOM 1645 CG TYR A 108 8.770 -11.587 -5.262 1.00 14.91 C ATOM 1646 CD1 TYR A 108 9.490 -11.259 -4.120 1.00 15.00 C ATOM 1647 CD2 TYR A 108 7.485 -12.088 -5.106 1.00 14.54 C ATOM 1648 CE1 TYR A 108 8.946 -11.425 -2.862 1.00 14.74 C ATOM 1649 CE2 TYR A 108 6.934 -12.259 -3.849 1.00 14.26 C ATOM 1650 CZ TYR A 108 7.668 -11.926 -2.731 1.00 14.37 C ATOM 1651 OH TYR A 108 7.125 -12.087 -1.477 1.00 14.27 O ATOM 0 H TYR A 108 7.775 -9.551 -6.280 1.00 14.11 H new ATOM 0 HA TYR A 108 10.628 -9.682 -6.381 1.00 14.67 H new ATOM 0 HB2 TYR A 108 8.669 -11.746 -7.392 1.00 15.38 H new ATOM 0 HB3 TYR A 108 10.272 -11.996 -6.728 1.00 15.38 H new ATOM 0 HD1 TYR A 108 10.492 -10.868 -4.218 1.00 15.00 H new ATOM 0 HD2 TYR A 108 6.906 -12.348 -5.980 1.00 14.54 H new ATOM 0 HE1 TYR A 108 9.519 -11.164 -1.984 1.00 14.74 H new ATOM 0 HE2 TYR A 108 5.933 -12.652 -3.744 1.00 14.26 H new ATOM 0 HH TYR A 108 6.218 -12.449 -1.557 1.00 14.27 H new ATOM 1661 N ASP A 109 11.231 -9.830 -8.801 1.00 15.88 N ATOM 1662 CA ASP A 109 11.646 -9.494 -10.148 1.00 16.70 C ATOM 1663 C ASP A 109 11.977 -10.754 -10.933 1.00 17.75 C ATOM 1664 O ASP A 109 11.872 -11.867 -10.414 1.00 17.90 O ATOM 1665 CB ASP A 109 12.868 -8.584 -10.102 1.00 16.70 C ATOM 1666 CG ASP A 109 14.090 -9.338 -9.649 1.00 17.47 C ATOM 1667 OD1 ASP A 109 14.091 -9.851 -8.511 1.00 18.07 O ATOM 1668 OD2 ASP A 109 15.075 -9.384 -10.412 1.00 17.54 O ATOM 0 H ASP A 109 11.985 -10.161 -8.199 1.00 15.88 H new ATOM 0 HA ASP A 109 10.826 -8.976 -10.645 1.00 16.70 H new ATOM 0 HB2 ASP A 109 13.045 -8.158 -11.090 1.00 16.70 H new ATOM 0 HB3 ASP A 109 12.679 -7.751 -9.425 1.00 16.70 H new ATOM 1673 N ARG A 110 12.389 -10.566 -12.176 1.00 18.56 N ATOM 1674 CA ARG A 110 12.638 -11.672 -13.094 1.00 19.67 C ATOM 1675 C ARG A 110 13.858 -12.510 -12.691 1.00 20.06 C ATOM 1676 O ARG A 110 13.941 -13.691 -13.031 1.00 20.72 O ATOM 1677 CB ARG A 110 12.816 -11.152 -14.529 1.00 20.52 C ATOM 1678 CG ARG A 110 11.902 -9.987 -14.898 1.00 20.56 C ATOM 1679 CD ARG A 110 10.626 -10.454 -15.582 1.00 20.89 C ATOM 1680 NE ARG A 110 9.499 -9.556 -15.308 1.00 21.05 N ATOM 1681 CZ ARG A 110 9.278 -8.407 -15.948 1.00 21.24 C ATOM 1682 NH1 ARG A 110 10.091 -8.011 -16.920 1.00 21.27 N ATOM 1683 NH2 ARG A 110 8.237 -7.653 -15.616 1.00 21.49 N ATOM 0 H ARG A 110 12.561 -9.645 -12.579 1.00 18.56 H new ATOM 0 HA ARG A 110 11.764 -12.321 -13.045 1.00 19.67 H new ATOM 0 HB2 ARG A 110 13.852 -10.841 -14.663 1.00 20.52 H new ATOM 0 HB3 ARG A 110 12.637 -11.972 -15.224 1.00 20.52 H new ATOM 0 HG2 ARG A 110 11.646 -9.428 -13.998 1.00 20.56 H new ATOM 0 HG3 ARG A 110 12.436 -9.303 -15.557 1.00 20.56 H new ATOM 0 HD2 ARG A 110 10.791 -10.512 -16.658 1.00 20.89 H new ATOM 0 HD3 ARG A 110 10.379 -11.460 -15.243 1.00 20.89 H new ATOM 0 HE ARG A 110 8.840 -9.829 -14.579 1.00 21.05 H new ATOM 0 HH11 ARG A 110 10.891 -8.587 -17.182 1.00 21.27 H new ATOM 0 HH12 ARG A 110 9.915 -7.131 -17.405 1.00 21.27 H new ATOM 0 HH21 ARG A 110 7.607 -7.953 -14.872 1.00 21.49 H new ATOM 0 HH22 ARG A 110 8.067 -6.774 -16.105 1.00 21.49 H new ATOM 1697 N SER A 111 14.806 -11.909 -11.972 1.00 19.71 N ATOM 1698 CA SER A 111 16.092 -12.564 -11.722 1.00 20.09 C ATOM 1699 C SER A 111 16.384 -12.769 -10.230 1.00 19.34 C ATOM 1700 O SER A 111 17.091 -13.704 -9.852 1.00 19.58 O ATOM 1701 CB SER A 111 17.207 -11.732 -12.357 1.00 20.36 C ATOM 1702 OG SER A 111 16.675 -10.789 -13.277 1.00 20.33 O ATOM 0 H SER A 111 14.711 -10.982 -11.557 1.00 19.71 H new ATOM 0 HA SER A 111 16.044 -13.557 -12.170 1.00 20.09 H new ATOM 0 HB2 SER A 111 17.766 -11.212 -11.579 1.00 20.36 H new ATOM 0 HB3 SER A 111 17.910 -12.389 -12.869 1.00 20.36 H new ATOM 0 HG SER A 111 17.406 -10.267 -13.670 1.00 20.33 H new ATOM 1708 N GLY A 112 15.839 -11.904 -9.395 1.00 18.52 N ATOM 1709 CA GLY A 112 16.153 -11.938 -7.978 1.00 17.87 C ATOM 1710 C GLY A 112 15.155 -12.745 -7.173 1.00 17.53 C ATOM 1711 O GLY A 112 15.540 -13.642 -6.422 1.00 17.59 O ATOM 0 H GLY A 112 15.182 -11.174 -9.670 1.00 18.52 H new ATOM 0 HA2 GLY A 112 17.149 -12.360 -7.842 1.00 17.87 H new ATOM 0 HA3 GLY A 112 16.183 -10.919 -7.593 1.00 17.87 H new ATOM 1715 N ARG A 113 13.874 -12.418 -7.333 1.00 17.30 N ATOM 1716 CA ARG A 113 12.795 -13.074 -6.588 1.00 17.14 C ATOM 1717 C ARG A 113 12.934 -12.788 -5.097 1.00 16.20 C ATOM 1718 O ARG A 113 13.150 -13.699 -4.299 1.00 16.37 O ATOM 1719 CB ARG A 113 12.781 -14.583 -6.843 1.00 17.48 C ATOM 1720 CG ARG A 113 11.652 -15.028 -7.752 1.00 18.02 C ATOM 1721 CD ARG A 113 12.161 -15.352 -9.143 1.00 18.53 C ATOM 1722 NE ARG A 113 11.462 -14.590 -10.175 1.00 18.76 N ATOM 1723 CZ ARG A 113 10.983 -15.124 -11.296 1.00 19.39 C ATOM 1724 NH1 ARG A 113 11.082 -16.432 -11.504 1.00 19.85 N ATOM 1725 NH2 ARG A 113 10.381 -14.354 -12.192 1.00 19.68 N ATOM 0 H ARG A 113 13.553 -11.696 -7.978 1.00 17.30 H new ATOM 0 HA ARG A 113 11.847 -12.667 -6.940 1.00 17.14 H new ATOM 0 HB2 ARG A 113 13.732 -14.878 -7.286 1.00 17.48 H new ATOM 0 HB3 ARG A 113 12.697 -15.105 -5.890 1.00 17.48 H new ATOM 0 HG2 ARG A 113 11.164 -15.905 -7.327 1.00 18.02 H new ATOM 0 HG3 ARG A 113 10.899 -14.242 -7.812 1.00 18.02 H new ATOM 0 HD2 ARG A 113 13.229 -15.139 -9.197 1.00 18.53 H new ATOM 0 HD3 ARG A 113 12.038 -16.418 -9.334 1.00 18.53 H new ATOM 0 HE ARG A 113 11.333 -13.589 -10.028 1.00 18.76 H new ATOM 0 HH11 ARG A 113 11.525 -17.028 -10.804 1.00 19.85 H new ATOM 0 HH12 ARG A 113 10.715 -16.841 -12.363 1.00 19.85 H new ATOM 0 HH21 ARG A 113 10.285 -13.353 -12.022 1.00 19.68 H new ATOM 0 HH22 ARG A 113 10.014 -14.763 -13.051 1.00 19.68 H new ATOM 1739 N SER A 114 12.747 -11.508 -4.763 1.00 15.31 N ATOM 1740 CA SER A 114 12.998 -10.925 -3.437 1.00 14.46 C ATOM 1741 C SER A 114 13.527 -9.518 -3.651 1.00 13.60 C ATOM 1742 O SER A 114 12.852 -8.553 -3.321 1.00 13.37 O ATOM 1743 CB SER A 114 14.002 -11.725 -2.595 1.00 14.66 C ATOM 1744 OG SER A 114 13.335 -12.606 -1.709 1.00 15.43 O ATOM 0 H SER A 114 12.403 -10.821 -5.433 1.00 15.31 H new ATOM 0 HA SER A 114 12.061 -10.935 -2.880 1.00 14.46 H new ATOM 0 HB2 SER A 114 14.660 -12.294 -3.252 1.00 14.66 H new ATOM 0 HB3 SER A 114 14.632 -11.041 -2.027 1.00 14.66 H new ATOM 0 HG SER A 114 12.978 -13.367 -2.212 1.00 15.43 H new ATOM 1750 N LEU A 115 14.692 -9.475 -4.324 1.00 13.29 N ATOM 1751 CA LEU A 115 15.441 -8.265 -4.747 1.00 12.67 C ATOM 1752 C LEU A 115 15.536 -7.089 -3.739 1.00 11.82 C ATOM 1753 O LEU A 115 16.618 -6.531 -3.556 1.00 11.50 O ATOM 1754 CB LEU A 115 14.920 -7.812 -6.122 1.00 13.13 C ATOM 1755 CG LEU A 115 14.158 -6.491 -6.187 1.00 13.71 C ATOM 1756 CD1 LEU A 115 14.252 -5.919 -7.589 1.00 13.79 C ATOM 1757 CD2 LEU A 115 12.701 -6.692 -5.806 1.00 14.34 C ATOM 0 H LEU A 115 15.168 -10.332 -4.606 1.00 13.29 H new ATOM 0 HA LEU A 115 16.483 -8.581 -4.801 1.00 12.67 H new ATOM 0 HB2 LEU A 115 15.772 -7.742 -6.798 1.00 13.13 H new ATOM 0 HB3 LEU A 115 14.269 -8.595 -6.510 1.00 13.13 H new ATOM 0 HG LEU A 115 14.605 -5.794 -5.478 1.00 13.71 H new ATOM 0 HD11 LEU A 115 13.708 -4.976 -7.634 1.00 13.79 H new ATOM 0 HD12 LEU A 115 15.298 -5.747 -7.842 1.00 13.79 H new ATOM 0 HD13 LEU A 115 13.818 -6.623 -8.299 1.00 13.79 H new ATOM 0 HD21 LEU A 115 12.176 -5.738 -5.859 1.00 14.34 H new ATOM 0 HD22 LEU A 115 12.239 -7.399 -6.495 1.00 14.34 H new ATOM 0 HD23 LEU A 115 12.641 -7.083 -4.790 1.00 14.34 H new ATOM 1769 N GLY A 116 14.446 -6.723 -3.086 1.00 11.63 N ATOM 1770 CA GLY A 116 14.450 -5.573 -2.204 1.00 10.96 C ATOM 1771 C GLY A 116 13.736 -4.382 -2.810 1.00 10.62 C ATOM 1772 O GLY A 116 14.300 -3.295 -2.925 1.00 10.23 O ATOM 0 H GLY A 116 13.550 -7.206 -3.151 1.00 11.63 H new ATOM 0 HA2 GLY A 116 13.972 -5.839 -1.261 1.00 10.96 H new ATOM 0 HA3 GLY A 116 15.479 -5.298 -1.973 1.00 10.96 H new ATOM 1776 N THR A 117 12.485 -4.590 -3.191 1.00 10.92 N ATOM 1777 CA THR A 117 11.662 -3.533 -3.763 1.00 10.75 C ATOM 1778 C THR A 117 10.189 -3.806 -3.478 1.00 10.46 C ATOM 1779 O THR A 117 9.748 -4.953 -3.502 1.00 10.80 O ATOM 1780 CB THR A 117 11.875 -3.391 -5.289 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.276 -3.318 -5.590 1.00 12.11 O ATOM 1782 CG2 THR A 117 11.182 -2.144 -5.825 1.00 11.71 C ATOM 0 H THR A 117 12.013 -5.491 -3.114 1.00 10.92 H new ATOM 0 HA THR A 117 11.965 -2.597 -3.295 1.00 10.75 H new ATOM 0 HB THR A 117 11.441 -4.269 -5.769 1.00 11.45 H new ATOM 0 HG1 THR A 117 13.396 -3.071 -6.531 1.00 12.11 H new ATOM 0 HG21 THR A 117 11.348 -2.069 -6.900 1.00 11.71 H new ATOM 0 HG22 THR A 117 10.112 -2.209 -5.627 1.00 11.71 H new ATOM 0 HG23 THR A 117 11.590 -1.261 -5.332 1.00 11.71 H new ATOM 1790 N ALA A 118 9.438 -2.750 -3.209 1.00 9.99 N ATOM 1791 CA ALA A 118 8.026 -2.874 -2.896 1.00 9.78 C ATOM 1792 C ALA A 118 7.238 -1.784 -3.600 1.00 9.60 C ATOM 1793 O ALA A 118 7.722 -0.663 -3.758 1.00 9.55 O ATOM 1794 CB ALA A 118 7.790 -2.804 -1.388 1.00 9.47 C ATOM 0 H ALA A 118 9.787 -1.792 -3.202 1.00 9.99 H new ATOM 0 HA ALA A 118 7.683 -3.847 -3.248 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.724 -2.899 -1.182 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.329 -3.615 -0.897 1.00 9.47 H new ATOM 0 HB3 ALA A 118 8.149 -1.848 -1.008 1.00 9.47 H new ATOM 1800 N ASP A 119 6.036 -2.125 -4.030 1.00 9.67 N ATOM 1801 CA ASP A 119 5.144 -1.161 -4.651 1.00 9.53 C ATOM 1802 C ASP A 119 3.951 -0.934 -3.742 1.00 9.23 C ATOM 1803 O ASP A 119 3.169 -1.856 -3.486 1.00 9.46 O ATOM 1804 CB ASP A 119 4.675 -1.649 -6.030 1.00 10.06 C ATOM 1805 CG ASP A 119 3.787 -0.643 -6.760 1.00 10.01 C ATOM 1806 OD1 ASP A 119 2.677 -0.338 -6.262 1.00 10.21 O ATOM 1807 OD2 ASP A 119 4.183 -0.179 -7.852 1.00 9.84 O ATOM 0 H ASP A 119 5.653 -3.068 -3.960 1.00 9.67 H new ATOM 0 HA ASP A 119 5.682 -0.224 -4.796 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.547 -1.866 -6.646 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.129 -2.584 -5.910 1.00 10.06 H new ATOM 1812 N VAL A 120 3.840 0.271 -3.223 1.00 8.97 N ATOM 1813 CA VAL A 120 2.698 0.632 -2.410 1.00 8.93 C ATOM 1814 C VAL A 120 1.878 1.691 -3.132 1.00 8.97 C ATOM 1815 O VAL A 120 2.421 2.596 -3.766 1.00 9.03 O ATOM 1816 CB VAL A 120 3.093 1.111 -0.978 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.534 0.758 -0.643 1.00 9.07 C ATOM 1818 CG2 VAL A 120 2.859 2.599 -0.792 1.00 9.06 C ATOM 0 H VAL A 120 4.525 1.016 -3.349 1.00 8.97 H new ATOM 0 HA VAL A 120 2.098 -0.267 -2.268 1.00 8.93 H new ATOM 0 HB VAL A 120 2.442 0.579 -0.285 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.770 1.108 0.362 1.00 9.07 H new ATOM 0 HG12 VAL A 120 4.664 -0.323 -0.690 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.202 1.236 -1.360 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.147 2.889 0.218 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.458 3.154 -1.514 1.00 9.06 H new ATOM 0 HG23 VAL A 120 1.804 2.824 -0.947 1.00 9.06 H new ATOM 1828 N HIS A 121 0.572 1.543 -3.082 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.321 2.474 -3.729 1.00 9.24 C ATOM 1830 C HIS A 121 -1.364 2.955 -2.743 1.00 9.55 C ATOM 1831 O HIS A 121 -2.091 2.148 -2.179 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.003 1.785 -4.905 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.371 2.096 -6.223 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.689 1.386 -6.744 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -0.667 3.047 -7.136 1.00 9.62 C ATOM 1836 CE1 HIS A 121 1.012 1.881 -7.917 1.00 9.94 C ATOM 1837 NE2 HIS A 121 0.205 2.892 -8.185 1.00 9.93 N ATOM 0 H HIS A 121 0.104 0.779 -2.595 1.00 9.13 H new ATOM 0 HA HIS A 121 0.248 3.331 -4.090 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -0.983 0.707 -4.746 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.051 2.084 -4.933 1.00 9.38 H new ATOM 0 HD1 HIS A 121 1.151 0.598 -6.289 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -1.445 3.791 -7.055 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.805 1.521 -8.556 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.419 4.251 -2.499 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.469 4.802 -1.659 1.00 10.32 C ATOM 1848 C PHE A 122 -3.527 5.485 -2.515 1.00 10.49 C ATOM 1849 O PHE A 122 -3.274 5.853 -3.668 1.00 10.27 O ATOM 1850 CB PHE A 122 -1.916 5.800 -0.629 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.418 5.832 -0.484 1.00 10.49 C ATOM 1852 CD1 PHE A 122 0.377 6.460 -1.429 1.00 10.41 C ATOM 1853 CD2 PHE A 122 0.192 5.258 0.618 1.00 10.52 C ATOM 1854 CE1 PHE A 122 1.747 6.510 -1.282 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.560 5.309 0.772 1.00 10.36 C ATOM 1856 CZ PHE A 122 2.340 5.936 -0.180 1.00 10.28 C ATOM 0 H PHE A 122 -0.758 4.936 -2.865 1.00 9.77 H new ATOM 0 HA PHE A 122 -2.917 3.971 -1.115 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.257 6.799 -0.900 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.351 5.568 0.343 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -0.083 6.917 -2.293 1.00 10.41 H new ATOM 0 HD2 PHE A 122 -0.411 4.765 1.366 1.00 10.52 H new ATOM 0 HE1 PHE A 122 2.354 6.999 -2.030 1.00 10.34 H new ATOM 0 HE2 PHE A 122 2.023 4.858 1.638 1.00 10.36 H new ATOM 0 HZ PHE A 122 3.413 5.976 -0.060 1.00 10.28 H new ATOM 1866 N GLU A 123 -4.720 5.631 -1.951 1.00 11.02 N ATOM 1867 CA GLU A 123 -5.832 6.265 -2.651 1.00 11.27 C ATOM 1868 C GLU A 123 -5.707 7.784 -2.605 1.00 11.67 C ATOM 1869 O GLU A 123 -6.338 8.493 -3.384 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.176 5.832 -2.051 1.00 11.83 C ATOM 1871 CG GLU A 123 -7.067 5.218 -0.663 1.00 11.97 C ATOM 1872 CD GLU A 123 -8.403 4.744 -0.131 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -8.812 3.615 -0.463 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -9.053 5.498 0.625 1.00 12.67 O ATOM 0 H GLU A 123 -4.943 5.317 -1.006 1.00 11.02 H new ATOM 0 HA GLU A 123 -5.795 5.942 -3.692 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.836 6.698 -2.003 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -7.645 5.111 -2.720 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -6.374 4.378 -0.695 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -6.646 5.953 0.024 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.891 8.278 -1.686 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.699 9.710 -1.523 1.00 12.58 C ATOM 1883 C ARG A 124 -3.358 10.129 -2.104 1.00 12.40 C ATOM 1884 O ARG A 124 -2.325 9.567 -1.746 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.750 10.080 -0.039 1.00 13.34 C ATOM 1886 CG ARG A 124 -5.841 11.074 0.313 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.804 10.499 1.338 1.00 14.19 C ATOM 1888 NE ARG A 124 -7.976 9.902 0.703 1.00 14.36 N ATOM 1889 CZ ARG A 124 -8.287 8.609 0.781 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -7.553 7.784 1.514 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -9.345 8.139 0.139 1.00 15.04 N ATOM 0 H ARG A 124 -4.349 7.705 -1.039 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.497 10.231 -2.052 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -4.897 9.172 0.546 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -3.786 10.495 0.254 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -5.392 11.986 0.705 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -6.388 11.350 -0.588 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -6.291 9.746 1.937 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -7.122 11.287 2.021 1.00 14.19 H new ATOM 0 HE ARG A 124 -8.594 10.512 0.167 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -6.743 8.138 2.024 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -7.798 6.795 1.569 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -9.925 8.767 -0.417 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -9.581 7.148 0.201 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.362 11.116 -2.995 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.116 11.628 -3.551 1.00 12.90 C ATOM 1907 C ARG A 125 -1.359 12.415 -2.488 1.00 13.56 C ATOM 1908 O ARG A 125 -0.139 12.541 -2.547 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.369 12.499 -4.790 1.00 13.36 C ATOM 1910 CG ARG A 125 -3.103 13.801 -4.505 1.00 13.29 C ATOM 1911 CD ARG A 125 -2.268 15.015 -4.880 1.00 13.69 C ATOM 1912 NE ARG A 125 -2.527 16.143 -3.987 1.00 14.28 N ATOM 1913 CZ ARG A 125 -3.269 17.203 -4.311 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -3.763 17.330 -5.538 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -3.499 18.144 -3.408 1.00 15.26 N ATOM 0 H ARG A 125 -4.205 11.572 -3.344 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.510 10.779 -3.867 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -1.412 12.731 -5.258 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -2.946 11.922 -5.513 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -4.040 13.819 -5.061 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -3.359 13.849 -3.447 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -1.210 14.755 -4.842 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -2.488 15.305 -5.907 1.00 13.69 H new ATOM 0 HE ARG A 125 -2.113 16.118 -3.055 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -3.576 16.614 -6.240 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -4.330 18.144 -5.778 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -3.109 18.056 -2.469 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -4.066 18.956 -3.651 1.00 15.26 H new ATOM 1929 N ALA A 126 -2.093 12.929 -1.505 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.483 13.620 -0.378 1.00 15.01 C ATOM 1931 C ALA A 126 -0.689 12.643 0.478 1.00 14.54 C ATOM 1932 O ALA A 126 0.302 13.014 1.100 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.538 14.314 0.464 1.00 15.90 C ATOM 0 H ALA A 126 -3.111 12.879 -1.468 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.803 14.376 -0.771 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -2.059 14.823 1.300 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -3.071 15.042 -0.148 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -3.243 13.575 0.845 1.00 15.90 H new ATOM 1939 N ASP A 127 -1.137 11.391 0.500 1.00 13.75 N ATOM 1940 CA ASP A 127 -0.422 10.331 1.207 1.00 13.28 C ATOM 1941 C ASP A 127 0.959 10.141 0.592 1.00 12.77 C ATOM 1942 O ASP A 127 1.943 9.895 1.292 1.00 12.74 O ATOM 1943 CB ASP A 127 -1.206 9.016 1.153 1.00 12.65 C ATOM 1944 CG ASP A 127 -1.913 8.694 2.456 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -1.400 9.068 3.531 1.00 13.24 O ATOM 1946 OD2 ASP A 127 -2.996 8.065 2.410 1.00 13.51 O ATOM 0 H ASP A 127 -1.992 11.085 0.036 1.00 13.75 H new ATOM 0 HA ASP A 127 -0.315 10.623 2.252 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -1.942 9.071 0.351 1.00 12.65 H new ATOM 0 HB3 ASP A 127 -0.524 8.203 0.905 1.00 12.65 H new ATOM 1951 N ALA A 128 1.031 10.311 -0.723 1.00 12.51 N ATOM 1952 CA ALA A 128 2.289 10.196 -1.444 1.00 12.26 C ATOM 1953 C ALA A 128 3.059 11.505 -1.350 1.00 13.19 C ATOM 1954 O ALA A 128 4.280 11.517 -1.228 1.00 13.28 O ATOM 1955 CB ALA A 128 2.038 9.830 -2.898 1.00 11.90 C ATOM 0 H ALA A 128 0.228 10.530 -1.312 1.00 12.51 H new ATOM 0 HA ALA A 128 2.884 9.403 -0.991 1.00 12.26 H new ATOM 0 HB1 ALA A 128 2.990 9.748 -3.422 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.513 8.876 -2.948 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.430 10.603 -3.368 1.00 11.90 H new ATOM 1961 N LEU A 129 2.320 12.605 -1.415 1.00 13.95 N ATOM 1962 CA LEU A 129 2.885 13.934 -1.222 1.00 15.01 C ATOM 1963 C LEU A 129 3.606 14.005 0.122 1.00 15.35 C ATOM 1964 O LEU A 129 4.730 14.498 0.214 1.00 15.80 O ATOM 1965 CB LEU A 129 1.780 14.992 -1.295 1.00 15.79 C ATOM 1966 CG LEU A 129 2.194 16.404 -0.875 1.00 17.00 C ATOM 1967 CD1 LEU A 129 1.913 17.395 -1.994 1.00 17.52 C ATOM 1968 CD2 LEU A 129 1.469 16.812 0.398 1.00 17.74 C ATOM 0 H LEU A 129 1.317 12.602 -1.602 1.00 13.95 H new ATOM 0 HA LEU A 129 3.606 14.132 -2.015 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.405 15.031 -2.318 1.00 15.79 H new ATOM 0 HB3 LEU A 129 0.951 14.672 -0.663 1.00 15.79 H new ATOM 0 HG LEU A 129 3.266 16.407 -0.676 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.213 18.394 -1.679 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.477 17.110 -2.882 1.00 17.52 H new ATOM 0 HD13 LEU A 129 0.847 17.392 -2.224 1.00 17.52 H new ATOM 0 HD21 LEU A 129 1.774 17.819 0.684 1.00 17.74 H new ATOM 0 HD22 LEU A 129 0.393 16.794 0.225 1.00 17.74 H new ATOM 0 HD23 LEU A 129 1.720 16.116 1.198 1.00 17.74 H new ATOM 1980 N LYS A 130 2.957 13.480 1.152 1.00 15.21 N ATOM 1981 CA LYS A 130 3.537 13.431 2.486 1.00 15.60 C ATOM 1982 C LYS A 130 4.740 12.490 2.500 1.00 14.90 C ATOM 1983 O LYS A 130 5.780 12.799 3.078 1.00 15.34 O ATOM 1984 CB LYS A 130 2.475 12.972 3.500 1.00 15.68 C ATOM 1985 CG LYS A 130 3.024 12.188 4.686 1.00 15.55 C ATOM 1986 CD LYS A 130 2.596 10.727 4.639 1.00 15.23 C ATOM 1987 CE LYS A 130 1.093 10.575 4.815 1.00 15.09 C ATOM 1988 NZ LYS A 130 0.743 10.027 6.151 1.00 15.23 N ATOM 0 H LYS A 130 2.021 13.079 1.087 1.00 15.21 H new ATOM 0 HA LYS A 130 3.878 14.428 2.767 1.00 15.60 H new ATOM 0 HB2 LYS A 130 1.947 13.849 3.875 1.00 15.68 H new ATOM 0 HB3 LYS A 130 1.741 12.355 2.982 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.112 12.249 4.691 1.00 15.55 H new ATOM 0 HG3 LYS A 130 2.675 12.640 5.615 1.00 15.55 H new ATOM 0 HD2 LYS A 130 2.897 10.290 3.687 1.00 15.23 H new ATOM 0 HD3 LYS A 130 3.112 10.171 5.422 1.00 15.23 H new ATOM 0 HE2 LYS A 130 0.612 11.544 4.683 1.00 15.09 H new ATOM 0 HE3 LYS A 130 0.702 9.917 4.039 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 -0.274 10.158 6.324 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 0.971 9.013 6.181 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 1.286 10.526 6.884 1.00 15.23 H new ATOM 2002 N ALA A 131 4.596 11.355 1.828 1.00 13.87 N ATOM 2003 CA ALA A 131 5.657 10.358 1.775 1.00 13.19 C ATOM 2004 C ALA A 131 6.887 10.889 1.040 1.00 13.49 C ATOM 2005 O ALA A 131 8.014 10.602 1.428 1.00 13.49 O ATOM 2006 CB ALA A 131 5.157 9.070 1.134 1.00 12.14 C ATOM 0 H ALA A 131 3.754 11.102 1.312 1.00 13.87 H new ATOM 0 HA ALA A 131 5.955 10.137 2.800 1.00 13.19 H new ATOM 0 HB1 ALA A 131 5.966 8.340 1.105 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.328 8.670 1.719 1.00 12.14 H new ATOM 0 HB3 ALA A 131 4.818 9.277 0.119 1.00 12.14 H new ATOM 2012 N MET A 132 6.675 11.678 -0.004 1.00 13.87 N ATOM 2013 CA MET A 132 7.788 12.240 -0.762 1.00 14.40 C ATOM 2014 C MET A 132 8.340 13.487 -0.081 1.00 15.49 C ATOM 2015 O MET A 132 9.443 13.938 -0.386 1.00 16.00 O ATOM 2016 CB MET A 132 7.376 12.541 -2.210 1.00 14.59 C ATOM 2017 CG MET A 132 6.618 13.845 -2.399 1.00 15.65 C ATOM 2018 SD MET A 132 6.344 14.226 -4.142 1.00 16.00 S ATOM 2019 CE MET A 132 4.755 13.445 -4.419 1.00 15.55 C ATOM 0 H MET A 132 5.751 11.943 -0.345 1.00 13.87 H new ATOM 0 HA MET A 132 8.582 11.494 -0.789 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.272 12.565 -2.830 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.757 11.721 -2.575 1.00 14.59 H new ATOM 0 HG2 MET A 132 5.658 13.783 -1.887 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.175 14.658 -1.934 1.00 15.65 H new ATOM 0 HE1 MET A 132 4.733 13.008 -5.417 1.00 15.55 H new ATOM 0 HE2 MET A 132 4.600 12.662 -3.677 1.00 15.55 H new ATOM 0 HE3 MET A 132 3.964 14.189 -4.332 1.00 15.55 H new ATOM 2029 N LYS A 133 7.570 14.039 0.845 1.00 15.95 N ATOM 2030 CA LYS A 133 8.032 15.171 1.631 1.00 17.04 C ATOM 2031 C LYS A 133 8.814 14.685 2.846 1.00 16.95 C ATOM 2032 O LYS A 133 9.896 15.186 3.144 1.00 17.55 O ATOM 2033 CB LYS A 133 6.852 16.035 2.086 1.00 17.76 C ATOM 2034 CG LYS A 133 6.751 17.366 1.355 1.00 18.70 C ATOM 2035 CD LYS A 133 6.675 17.179 -0.153 1.00 18.27 C ATOM 2036 CE LYS A 133 5.596 18.054 -0.767 1.00 18.99 C ATOM 2037 NZ LYS A 133 6.174 19.199 -1.519 1.00 19.60 N ATOM 0 H LYS A 133 6.627 13.722 1.069 1.00 15.95 H new ATOM 0 HA LYS A 133 8.685 15.777 1.003 1.00 17.04 H new ATOM 0 HB2 LYS A 133 5.927 15.478 1.938 1.00 17.76 H new ATOM 0 HB3 LYS A 133 6.943 16.224 3.156 1.00 17.76 H new ATOM 0 HG2 LYS A 133 5.868 17.904 1.699 1.00 18.70 H new ATOM 0 HG3 LYS A 133 7.615 17.982 1.602 1.00 18.70 H new ATOM 0 HD2 LYS A 133 7.639 17.421 -0.600 1.00 18.27 H new ATOM 0 HD3 LYS A 133 6.471 16.133 -0.381 1.00 18.27 H new ATOM 0 HE2 LYS A 133 4.979 17.454 -1.436 1.00 18.99 H new ATOM 0 HE3 LYS A 133 4.941 18.429 0.020 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 5.406 19.772 -1.923 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 6.742 19.786 -0.875 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 6.779 18.841 -2.286 1.00 19.60 H new ATOM 2051 N GLN A 134 8.257 13.706 3.541 1.00 16.27 N ATOM 2052 CA GLN A 134 8.872 13.185 4.752 1.00 16.27 C ATOM 2053 C GLN A 134 9.871 12.073 4.448 1.00 15.45 C ATOM 2054 O GLN A 134 11.063 12.218 4.711 1.00 15.79 O ATOM 2055 CB GLN A 134 7.799 12.669 5.713 1.00 16.14 C ATOM 2056 CG GLN A 134 7.429 13.661 6.804 1.00 17.25 C ATOM 2057 CD GLN A 134 6.066 14.287 6.589 1.00 18.04 C ATOM 2058 OE1 GLN A 134 5.265 14.396 7.518 1.00 18.75 O ATOM 2059 NE2 GLN A 134 5.793 14.705 5.363 1.00 18.01 N ATOM 0 H GLN A 134 7.378 13.255 3.287 1.00 16.27 H new ATOM 0 HA GLN A 134 9.416 14.006 5.220 1.00 16.27 H new ATOM 0 HB2 GLN A 134 6.904 12.418 5.144 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.151 11.747 6.176 1.00 16.14 H new ATOM 0 HG2 GLN A 134 7.443 13.155 7.769 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.183 14.447 6.845 1.00 17.25 H new ATOM 0 HE21 GLN A 134 6.485 14.596 4.621 1.00 18.01 H new ATOM 0 HE22 GLN A 134 4.891 15.136 5.160 1.00 18.01 H new ATOM 2068 N TYR A 135 9.383 10.976 3.878 1.00 14.42 N ATOM 2069 CA TYR A 135 10.194 9.774 3.705 1.00 13.63 C ATOM 2070 C TYR A 135 11.211 9.920 2.574 1.00 13.70 C ATOM 2071 O TYR A 135 12.385 9.598 2.740 1.00 13.69 O ATOM 2072 CB TYR A 135 9.291 8.569 3.426 1.00 12.62 C ATOM 2073 CG TYR A 135 9.779 7.274 4.036 1.00 12.47 C ATOM 2074 CD1 TYR A 135 10.995 7.207 4.704 1.00 12.60 C ATOM 2075 CD2 TYR A 135 9.019 6.117 3.944 1.00 12.42 C ATOM 2076 CE1 TYR A 135 11.438 6.025 5.262 1.00 12.68 C ATOM 2077 CE2 TYR A 135 9.454 4.929 4.500 1.00 12.52 C ATOM 2078 CZ TYR A 135 10.665 4.888 5.160 1.00 12.67 C ATOM 2079 OH TYR A 135 11.104 3.709 5.715 1.00 12.97 O ATOM 0 H TYR A 135 8.429 10.894 3.527 1.00 14.42 H new ATOM 0 HA TYR A 135 10.747 9.622 4.632 1.00 13.63 H new ATOM 0 HB2 TYR A 135 8.292 8.782 3.806 1.00 12.62 H new ATOM 0 HB3 TYR A 135 9.201 8.438 2.348 1.00 12.62 H new ATOM 0 HD1 TYR A 135 11.604 8.095 4.788 1.00 12.60 H new ATOM 0 HD2 TYR A 135 8.070 6.145 3.429 1.00 12.42 H new ATOM 0 HE1 TYR A 135 12.387 5.991 5.777 1.00 12.68 H new ATOM 0 HE2 TYR A 135 8.850 4.038 4.418 1.00 12.52 H new ATOM 0 HH TYR A 135 10.441 3.005 5.555 1.00 12.97 H new ATOM 2089 N LYS A 136 10.759 10.392 1.426 1.00 13.88 N ATOM 2090 CA LYS A 136 11.609 10.443 0.245 1.00 14.15 C ATOM 2091 C LYS A 136 12.825 11.333 0.452 1.00 15.09 C ATOM 2092 O LYS A 136 12.702 12.543 0.659 1.00 15.85 O ATOM 2093 CB LYS A 136 10.822 10.920 -0.969 1.00 14.36 C ATOM 2094 CG LYS A 136 11.649 10.926 -2.237 1.00 14.69 C ATOM 2095 CD LYS A 136 11.072 11.867 -3.273 1.00 15.46 C ATOM 2096 CE LYS A 136 11.681 11.622 -4.640 1.00 15.93 C ATOM 2097 NZ LYS A 136 12.566 12.737 -5.059 1.00 16.56 N ATOM 0 H LYS A 136 9.812 10.745 1.284 1.00 13.88 H new ATOM 0 HA LYS A 136 11.963 9.427 0.068 1.00 14.15 H new ATOM 0 HB2 LYS A 136 9.954 10.276 -1.110 1.00 14.36 H new ATOM 0 HB3 LYS A 136 10.446 11.926 -0.781 1.00 14.36 H new ATOM 0 HG2 LYS A 136 12.672 11.223 -2.004 1.00 14.69 H new ATOM 0 HG3 LYS A 136 11.696 9.917 -2.647 1.00 14.69 H new ATOM 0 HD2 LYS A 136 9.991 11.735 -3.325 1.00 15.46 H new ATOM 0 HD3 LYS A 136 11.253 12.899 -2.971 1.00 15.46 H new ATOM 0 HE2 LYS A 136 12.251 10.693 -4.622 1.00 15.93 H new ATOM 0 HE3 LYS A 136 10.886 11.494 -5.374 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 12.963 12.531 -5.998 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 12.017 13.619 -5.101 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 13.340 12.843 -4.372 1.00 16.56 H new ATOM 2111 N GLY A 137 13.999 10.716 0.411 1.00 15.10 N ATOM 2112 CA GLY A 137 15.234 11.461 0.485 1.00 15.97 C ATOM 2113 C GLY A 137 15.975 11.234 1.784 1.00 15.85 C ATOM 2114 O GLY A 137 17.054 11.789 1.991 1.00 16.53 O ATOM 0 H GLY A 137 14.115 9.706 0.327 1.00 15.10 H new ATOM 0 HA2 GLY A 137 15.876 11.177 -0.349 1.00 15.97 H new ATOM 0 HA3 GLY A 137 15.020 12.524 0.375 1.00 15.97 H new ATOM 2118 N VAL A 138 15.407 10.423 2.669 1.00 15.06 N ATOM 2119 CA VAL A 138 16.020 10.196 3.968 1.00 15.00 C ATOM 2120 C VAL A 138 17.029 9.047 3.958 1.00 14.61 C ATOM 2121 O VAL A 138 16.823 7.997 3.325 1.00 13.92 O ATOM 2122 CB VAL A 138 14.976 9.934 5.079 1.00 14.53 C ATOM 2123 CG1 VAL A 138 13.967 11.064 5.150 1.00 14.37 C ATOM 2124 CG2 VAL A 138 14.276 8.597 4.883 1.00 14.92 C ATOM 0 H VAL A 138 14.534 9.919 2.512 1.00 15.06 H new ATOM 0 HA VAL A 138 16.549 11.123 4.188 1.00 15.00 H new ATOM 0 HB VAL A 138 15.510 9.891 6.028 1.00 14.53 H new ATOM 0 HG11 VAL A 138 13.244 10.857 5.938 1.00 14.37 H new ATOM 0 HG12 VAL A 138 14.483 11.999 5.367 1.00 14.37 H new ATOM 0 HG13 VAL A 138 13.448 11.149 4.195 1.00 14.37 H new ATOM 0 HG21 VAL A 138 13.550 8.446 5.682 1.00 14.92 H new ATOM 0 HG22 VAL A 138 13.764 8.592 3.921 1.00 14.92 H new ATOM 0 HG23 VAL A 138 15.013 7.794 4.906 1.00 14.92 H new ATOM 2134 N PRO A 139 18.168 9.271 4.616 1.00 15.15 N ATOM 2135 CA PRO A 139 19.096 8.231 4.990 1.00 14.91 C ATOM 2136 C PRO A 139 18.926 7.855 6.461 1.00 14.45 C ATOM 2137 O PRO A 139 18.017 8.349 7.136 1.00 14.71 O ATOM 2138 CB PRO A 139 20.442 8.915 4.760 1.00 15.76 C ATOM 2139 CG PRO A 139 20.192 10.369 5.040 1.00 16.48 C ATOM 2140 CD PRO A 139 18.692 10.588 5.003 1.00 16.12 C ATOM 0 HA PRO A 139 18.968 7.303 4.433 1.00 14.91 H new ATOM 0 HB2 PRO A 139 21.208 8.512 5.422 1.00 15.76 H new ATOM 0 HB3 PRO A 139 20.792 8.764 3.739 1.00 15.76 H new ATOM 0 HG2 PRO A 139 20.596 10.647 6.013 1.00 16.48 H new ATOM 0 HG3 PRO A 139 20.689 10.994 4.298 1.00 16.48 H new ATOM 0 HD2 PRO A 139 18.308 10.905 5.973 1.00 16.12 H new ATOM 0 HD3 PRO A 139 18.415 11.358 4.283 1.00 16.12 H new ATOM 2148 N LEU A 140 19.804 7.004 6.956 1.00 13.94 N ATOM 2149 CA LEU A 140 19.802 6.616 8.357 1.00 13.62 C ATOM 2150 C LEU A 140 21.105 5.901 8.696 1.00 13.69 C ATOM 2151 O LEU A 140 21.192 4.675 8.620 1.00 13.37 O ATOM 2152 CB LEU A 140 18.612 5.698 8.655 1.00 12.88 C ATOM 2153 CG LEU A 140 18.059 5.784 10.078 1.00 12.84 C ATOM 2154 CD1 LEU A 140 16.810 6.648 10.114 1.00 13.08 C ATOM 2155 CD2 LEU A 140 17.763 4.392 10.616 1.00 12.35 C ATOM 0 H LEU A 140 20.538 6.562 6.402 1.00 13.94 H new ATOM 0 HA LEU A 140 19.713 7.513 8.969 1.00 13.62 H new ATOM 0 HB2 LEU A 140 17.809 5.933 7.956 1.00 12.88 H new ATOM 0 HB3 LEU A 140 18.912 4.668 8.461 1.00 12.88 H new ATOM 0 HG LEU A 140 18.813 6.247 10.715 1.00 12.84 H new ATOM 0 HD11 LEU A 140 16.431 6.697 11.135 1.00 13.08 H new ATOM 0 HD12 LEU A 140 17.053 7.653 9.768 1.00 13.08 H new ATOM 0 HD13 LEU A 140 16.049 6.215 9.465 1.00 13.08 H new ATOM 0 HD21 LEU A 140 17.370 4.470 11.630 1.00 12.35 H new ATOM 0 HD22 LEU A 140 17.026 3.904 9.978 1.00 12.35 H new ATOM 0 HD23 LEU A 140 18.680 3.803 10.627 1.00 12.35 H new ATOM 2167 N ASP A 141 22.104 6.695 9.061 1.00 14.24 N ATOM 2168 CA ASP A 141 23.406 6.190 9.507 1.00 14.50 C ATOM 2169 C ASP A 141 24.026 5.260 8.464 1.00 14.65 C ATOM 2170 O ASP A 141 23.955 4.039 8.578 1.00 14.60 O ATOM 2171 CB ASP A 141 23.277 5.458 10.846 1.00 14.25 C ATOM 2172 CG ASP A 141 24.477 5.682 11.746 1.00 14.67 C ATOM 2173 OD1 ASP A 141 25.598 5.823 11.218 1.00 15.08 O ATOM 2174 OD2 ASP A 141 24.310 5.709 12.984 1.00 14.68 O ATOM 0 H ASP A 141 22.038 7.713 9.058 1.00 14.24 H new ATOM 0 HA ASP A 141 24.063 7.050 9.637 1.00 14.50 H new ATOM 0 HB2 ASP A 141 22.375 5.796 11.356 1.00 14.25 H new ATOM 0 HB3 ASP A 141 23.158 4.390 10.663 1.00 14.25 H new ATOM 2179 N GLY A 142 24.615 5.845 7.429 1.00 14.99 N ATOM 2180 CA GLY A 142 25.247 5.056 6.377 1.00 15.30 C ATOM 2181 C GLY A 142 24.258 4.236 5.560 1.00 15.13 C ATOM 2182 O GLY A 142 24.637 3.549 4.613 1.00 15.53 O ATOM 0 H GLY A 142 24.669 6.855 7.295 1.00 14.99 H new ATOM 0 HA2 GLY A 142 25.792 5.724 5.710 1.00 15.30 H new ATOM 0 HA3 GLY A 142 25.980 4.386 6.826 1.00 15.30 H new ATOM 2186 N ARG A 143 22.990 4.315 5.924 1.00 14.64 N ATOM 2187 CA ARG A 143 21.962 3.594 5.185 1.00 14.58 C ATOM 2188 C ARG A 143 20.864 4.532 4.703 1.00 14.18 C ATOM 2189 O ARG A 143 19.987 4.918 5.460 1.00 13.64 O ATOM 2190 CB ARG A 143 21.356 2.491 6.056 1.00 14.55 C ATOM 2191 CG ARG A 143 20.423 1.556 5.301 1.00 14.62 C ATOM 2192 CD ARG A 143 20.717 0.099 5.621 1.00 15.01 C ATOM 2193 NE ARG A 143 21.871 -0.402 4.875 1.00 15.55 N ATOM 2194 CZ ARG A 143 22.216 -1.686 4.808 1.00 16.06 C ATOM 2195 NH1 ARG A 143 21.491 -2.612 5.428 1.00 16.09 N ATOM 2196 NH2 ARG A 143 23.287 -2.042 4.111 1.00 16.66 N ATOM 0 H ARG A 143 22.648 4.862 6.714 1.00 14.64 H new ATOM 0 HA ARG A 143 22.435 3.145 4.312 1.00 14.58 H new ATOM 0 HB2 ARG A 143 22.162 1.906 6.498 1.00 14.55 H new ATOM 0 HB3 ARG A 143 20.808 2.950 6.878 1.00 14.55 H new ATOM 0 HG2 ARG A 143 19.389 1.785 5.559 1.00 14.62 H new ATOM 0 HG3 ARG A 143 20.528 1.723 4.229 1.00 14.62 H new ATOM 0 HD2 ARG A 143 20.902 -0.008 6.690 1.00 15.01 H new ATOM 0 HD3 ARG A 143 19.842 -0.508 5.387 1.00 15.01 H new ATOM 0 HE ARG A 143 22.447 0.275 4.375 1.00 15.55 H new ATOM 0 HH11 ARG A 143 20.664 -2.341 5.960 1.00 16.09 H new ATOM 0 HH12 ARG A 143 21.762 -3.594 5.372 1.00 16.09 H new ATOM 0 HH21 ARG A 143 23.841 -1.333 3.630 1.00 16.66 H new ATOM 0 HH22 ARG A 143 23.556 -3.024 4.056 1.00 16.66 H new ATOM 2210 N PRO A 144 20.897 4.885 3.416 1.00 14.56 N ATOM 2211 CA PRO A 144 19.829 5.616 2.744 1.00 14.25 C ATOM 2212 C PRO A 144 18.738 4.659 2.289 1.00 13.50 C ATOM 2213 O PRO A 144 18.985 3.456 2.184 1.00 13.51 O ATOM 2214 CB PRO A 144 20.523 6.261 1.536 1.00 15.09 C ATOM 2215 CG PRO A 144 21.946 5.785 1.563 1.00 15.66 C ATOM 2216 CD PRO A 144 21.993 4.603 2.488 1.00 15.41 C ATOM 0 HA PRO A 144 19.347 6.350 3.390 1.00 14.25 H new ATOM 0 HB2 PRO A 144 20.034 5.971 0.606 1.00 15.09 H new ATOM 0 HB3 PRO A 144 20.476 7.348 1.595 1.00 15.09 H new ATOM 0 HG2 PRO A 144 22.279 5.506 0.563 1.00 15.66 H new ATOM 0 HG3 PRO A 144 22.611 6.575 1.912 1.00 15.66 H new ATOM 0 HD2 PRO A 144 21.842 3.664 1.955 1.00 15.41 H new ATOM 0 HD3 PRO A 144 22.951 4.528 3.002 1.00 15.41 H new ATOM 2224 N MET A 145 17.537 5.149 2.017 1.00 12.97 N ATOM 2225 CA MET A 145 16.499 4.264 1.507 1.00 12.29 C ATOM 2226 C MET A 145 15.876 4.884 0.265 1.00 12.48 C ATOM 2227 O MET A 145 15.874 6.105 0.108 1.00 13.04 O ATOM 2228 CB MET A 145 15.425 3.961 2.554 1.00 11.64 C ATOM 2229 CG MET A 145 14.911 5.179 3.302 1.00 11.69 C ATOM 2230 SD MET A 145 14.631 4.846 5.052 1.00 11.33 S ATOM 2231 CE MET A 145 16.288 5.052 5.702 1.00 11.40 C ATOM 0 H MET A 145 17.262 6.124 2.136 1.00 12.97 H new ATOM 0 HA MET A 145 16.964 3.311 1.253 1.00 12.29 H new ATOM 0 HB2 MET A 145 14.584 3.471 2.062 1.00 11.64 H new ATOM 0 HB3 MET A 145 15.830 3.251 3.276 1.00 11.64 H new ATOM 0 HG2 MET A 145 15.628 5.993 3.201 1.00 11.69 H new ATOM 0 HG3 MET A 145 13.980 5.516 2.846 1.00 11.69 H new ATOM 0 HE1 MET A 145 16.346 4.611 6.697 1.00 11.40 H new ATOM 0 HE2 MET A 145 17.001 4.556 5.044 1.00 11.40 H new ATOM 0 HE3 MET A 145 16.526 6.114 5.761 1.00 11.40 H new ATOM 2241 N ASP A 146 15.358 4.046 -0.616 1.00 12.13 N ATOM 2242 CA ASP A 146 14.840 4.523 -1.891 1.00 12.38 C ATOM 2243 C ASP A 146 13.326 4.531 -1.893 1.00 11.73 C ATOM 2244 O ASP A 146 12.691 3.480 -1.862 1.00 11.11 O ATOM 2245 CB ASP A 146 15.352 3.668 -3.043 1.00 12.64 C ATOM 2246 CG ASP A 146 15.302 4.402 -4.366 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.318 5.651 -4.359 1.00 13.51 O ATOM 2248 OD2 ASP A 146 15.250 3.730 -5.419 1.00 13.71 O ATOM 0 H ASP A 146 15.284 3.038 -0.476 1.00 12.13 H new ATOM 0 HA ASP A 146 15.196 5.544 -2.027 1.00 12.38 H new ATOM 0 HB2 ASP A 146 16.378 3.362 -2.838 1.00 12.64 H new ATOM 0 HB3 ASP A 146 14.755 2.758 -3.111 1.00 12.64 H new ATOM 2253 N ILE A 147 12.761 5.723 -1.920 1.00 11.99 N ATOM 2254 CA ILE A 147 11.320 5.899 -1.920 1.00 11.55 C ATOM 2255 C ILE A 147 10.907 6.808 -3.068 1.00 12.03 C ATOM 2256 O ILE A 147 11.134 8.013 -3.019 1.00 12.66 O ATOM 2257 CB ILE A 147 10.823 6.519 -0.593 1.00 11.54 C ATOM 2258 CG1 ILE A 147 11.970 7.259 0.115 1.00 12.01 C ATOM 2259 CG2 ILE A 147 10.215 5.453 0.305 1.00 10.85 C ATOM 2260 CD1 ILE A 147 12.522 6.555 1.338 1.00 11.93 C ATOM 0 H ILE A 147 13.287 6.597 -1.943 1.00 11.99 H new ATOM 0 HA ILE A 147 10.870 4.913 -2.036 1.00 11.55 H new ATOM 0 HB ILE A 147 10.042 7.245 -0.819 1.00 11.54 H new ATOM 0 HG12 ILE A 147 12.781 7.409 -0.597 1.00 12.01 H new ATOM 0 HG13 ILE A 147 11.618 8.248 0.410 1.00 12.01 H new ATOM 0 HG21 ILE A 147 9.872 5.911 1.233 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.371 4.987 -0.203 1.00 10.85 H new ATOM 0 HG23 ILE A 147 10.966 4.696 0.530 1.00 10.85 H new ATOM 0 HD11 ILE A 147 13.326 7.152 1.769 1.00 11.93 H new ATOM 0 HD12 ILE A 147 11.728 6.429 2.074 1.00 11.93 H new ATOM 0 HD13 ILE A 147 12.909 5.577 1.051 1.00 11.93 H new ATOM 2272 N GLN A 148 10.313 6.237 -4.101 1.00 11.86 N ATOM 2273 CA GLN A 148 9.880 7.026 -5.242 1.00 12.36 C ATOM 2274 C GLN A 148 8.371 7.215 -5.210 1.00 11.92 C ATOM 2275 O GLN A 148 7.618 6.256 -5.356 1.00 11.28 O ATOM 2276 CB GLN A 148 10.292 6.351 -6.548 1.00 12.71 C ATOM 2277 CG GLN A 148 11.097 7.254 -7.466 1.00 13.36 C ATOM 2278 CD GLN A 148 10.912 6.909 -8.927 1.00 13.82 C ATOM 2279 OE1 GLN A 148 10.199 7.598 -9.655 1.00 14.37 O ATOM 2280 NE2 GLN A 148 11.559 5.845 -9.371 1.00 13.78 N ATOM 0 H GLN A 148 10.120 5.238 -4.174 1.00 11.86 H new ATOM 0 HA GLN A 148 10.361 8.002 -5.186 1.00 12.36 H new ATOM 0 HB2 GLN A 148 10.879 5.462 -6.319 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.398 6.016 -7.073 1.00 12.71 H new ATOM 0 HG2 GLN A 148 10.802 8.290 -7.301 1.00 13.36 H new ATOM 0 HG3 GLN A 148 12.154 7.178 -7.209 1.00 13.36 H new ATOM 0 HE21 GLN A 148 12.141 5.300 -8.735 1.00 13.78 H new ATOM 0 HE22 GLN A 148 11.476 5.570 -10.350 1.00 13.78 H new ATOM 2289 N LEU A 149 7.943 8.453 -5.004 1.00 12.38 N ATOM 2290 CA LEU A 149 6.527 8.771 -4.922 1.00 12.11 C ATOM 2291 C LEU A 149 6.053 9.423 -6.209 1.00 12.57 C ATOM 2292 O LEU A 149 6.377 10.581 -6.477 1.00 13.35 O ATOM 2293 CB LEU A 149 6.268 9.744 -3.767 1.00 12.48 C ATOM 2294 CG LEU A 149 6.054 9.122 -2.388 1.00 12.21 C ATOM 2295 CD1 LEU A 149 5.083 7.958 -2.469 1.00 11.94 C ATOM 2296 CD2 LEU A 149 7.381 8.691 -1.787 1.00 12.16 C ATOM 0 H LEU A 149 8.561 9.256 -4.890 1.00 12.38 H new ATOM 0 HA LEU A 149 5.984 7.840 -4.757 1.00 12.11 H new ATOM 0 HB2 LEU A 149 7.111 10.432 -3.704 1.00 12.48 H new ATOM 0 HB3 LEU A 149 5.389 10.340 -4.013 1.00 12.48 H new ATOM 0 HG LEU A 149 5.616 9.875 -1.732 1.00 12.21 H new ATOM 0 HD11 LEU A 149 4.945 7.530 -1.476 1.00 11.94 H new ATOM 0 HD12 LEU A 149 4.124 8.310 -2.849 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.482 7.197 -3.140 1.00 11.94 H new ATOM 0 HD21 LEU A 149 7.210 8.250 -0.805 1.00 12.16 H new ATOM 0 HD22 LEU A 149 7.853 7.955 -2.438 1.00 12.16 H new ATOM 0 HD23 LEU A 149 8.034 9.558 -1.687 1.00 12.16 H new ATOM 2308 N VAL A 150 5.299 8.696 -7.011 1.00 12.18 N ATOM 2309 CA VAL A 150 4.709 9.277 -8.201 1.00 12.66 C ATOM 2310 C VAL A 150 3.225 9.514 -7.962 1.00 12.39 C ATOM 2311 O VAL A 150 2.425 8.574 -7.998 1.00 11.73 O ATOM 2312 CB VAL A 150 4.892 8.372 -9.439 1.00 12.72 C ATOM 2313 CG1 VAL A 150 4.658 9.161 -10.719 1.00 13.21 C ATOM 2314 CG2 VAL A 150 6.274 7.735 -9.447 1.00 12.72 C ATOM 0 H VAL A 150 5.082 7.711 -6.862 1.00 12.18 H new ATOM 0 HA VAL A 150 5.219 10.219 -8.401 1.00 12.66 H new ATOM 0 HB VAL A 150 4.152 7.574 -9.387 1.00 12.72 H new ATOM 0 HG11 VAL A 150 4.792 8.506 -11.580 1.00 13.21 H new ATOM 0 HG12 VAL A 150 3.644 9.560 -10.720 1.00 13.21 H new ATOM 0 HG13 VAL A 150 5.371 9.984 -10.775 1.00 13.21 H new ATOM 0 HG21 VAL A 150 6.378 7.103 -10.329 1.00 12.72 H new ATOM 0 HG22 VAL A 150 7.034 8.516 -9.469 1.00 12.72 H new ATOM 0 HG23 VAL A 150 6.401 7.130 -8.549 1.00 12.72 H new ATOM 2324 N ALA A 151 2.879 10.771 -7.706 1.00 13.01 N ATOM 2325 CA ALA A 151 1.501 11.175 -7.432 1.00 12.96 C ATOM 2326 C ALA A 151 1.446 12.670 -7.163 1.00 13.33 C ATOM 2327 O ALA A 151 0.710 13.134 -6.292 1.00 13.35 O ATOM 2328 CB ALA A 151 0.935 10.418 -6.237 1.00 12.65 C ATOM 0 H ALA A 151 3.547 11.542 -7.682 1.00 13.01 H new ATOM 0 HA ALA A 151 0.896 10.937 -8.307 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -0.091 10.738 -6.056 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.950 9.348 -6.444 1.00 12.65 H new ATOM 0 HB3 ALA A 151 1.541 10.625 -5.355 1.00 12.65 H new