USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 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 68 GLN : amide:sc= -1.93! C(o=-2.4!,f=-3.9!) USER MOD Set 1.2: A 88 LYS NZ :NH3+ -119:sc= -0.447 (180deg=-4.65!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -98:sc= -0.415! USER MOD Single : A 17 SER OG : rot 72:sc= 0.267 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.2!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -43:sc= 1.15 USER MOD Single : A 56 THR OG1 : rot -89:sc= -1.15 USER MOD Single : A 59 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.092) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= -0.0111 (180deg=-0.174) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -82:sc= -2.09 USER MOD Single : A 97 ASN : amide:sc= -0.0254 K(o=-0.025,f=-0.94) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 133:sc= 0.873 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 108 ASN : amide:sc= -0.0269 K(o=-0.027,f=-0.95) USER MOD Single : A 109 MET CE :methyl 159:sc= -0.401 (180deg=-1.17) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 10.523 6.883 6.234 1.00 12.33 N ATOM 93 CA ARG A 7 10.907 5.682 6.966 1.00 43.23 C ATOM 94 C ARG A 7 9.931 4.542 6.690 1.00 45.01 C ATOM 95 O ARG A 7 10.341 3.411 6.429 1.00 71.31 O ATOM 96 CB ARG A 7 10.962 5.969 8.467 1.00 13.23 C ATOM 97 CG ARG A 7 12.215 5.438 9.144 1.00 41.42 C ATOM 98 CD ARG A 7 12.463 6.127 10.477 1.00 51.13 C ATOM 99 NE ARG A 7 13.667 5.628 11.135 1.00 20.22 N ATOM 100 CZ ARG A 7 14.897 5.994 10.793 1.00 2.34 C ATOM 101 NH1 ARG A 7 15.085 6.859 9.806 1.00 74.11 N ATOM 102 NH2 ARG A 7 15.943 5.496 11.440 1.00 1.13 N ATOM 0 HA ARG A 7 11.897 5.380 6.625 1.00 43.23 H new ATOM 0 HB2 ARG A 7 10.903 7.046 8.625 1.00 13.23 H new ATOM 0 HB3 ARG A 7 10.087 5.528 8.945 1.00 13.23 H new ATOM 0 HG2 ARG A 7 12.117 4.364 9.301 1.00 41.42 H new ATOM 0 HG3 ARG A 7 13.074 5.588 8.490 1.00 41.42 H new ATOM 0 HD2 ARG A 7 12.556 7.201 10.318 1.00 51.13 H new ATOM 0 HD3 ARG A 7 11.603 5.974 11.130 1.00 51.13 H new ATOM 0 HE ARG A 7 13.557 4.962 11.899 1.00 20.22 H new ATOM 0 HH11 ARG A 7 14.284 7.245 9.307 1.00 74.11 H new ATOM 0 HH12 ARG A 7 16.031 7.138 9.546 1.00 74.11 H new ATOM 0 HH21 ARG A 7 15.803 4.831 12.201 1.00 1.13 H new ATOM 0 HH22 ARG A 7 16.887 5.778 11.176 1.00 1.13 H new ATOM 116 N ASP A 8 8.640 4.848 6.750 1.00 22.13 N ATOM 117 CA ASP A 8 7.606 3.849 6.507 1.00 53.44 C ATOM 118 C ASP A 8 7.763 3.231 5.121 1.00 52.11 C ATOM 119 O ASP A 8 7.482 2.049 4.923 1.00 53.24 O ATOM 120 CB ASP A 8 6.218 4.478 6.644 1.00 30.31 C ATOM 121 CG ASP A 8 5.619 4.263 8.020 1.00 73.41 C ATOM 122 OD1 ASP A 8 6.008 4.991 8.957 1.00 34.33 O ATOM 123 OD2 ASP A 8 4.760 3.367 8.159 1.00 22.32 O ATOM 0 H ASP A 8 8.284 5.780 6.965 1.00 22.13 H new ATOM 0 HA ASP A 8 7.715 3.060 7.251 1.00 53.44 H new ATOM 0 HB2 ASP A 8 6.285 5.547 6.443 1.00 30.31 H new ATOM 0 HB3 ASP A 8 5.554 4.053 5.891 1.00 30.31 H new ATOM 128 N TRP A 9 8.212 4.038 4.167 1.00 70.15 N ATOM 129 CA TRP A 9 8.405 3.570 2.799 1.00 62.04 C ATOM 130 C TRP A 9 9.566 2.585 2.719 1.00 3.12 C ATOM 131 O TRP A 9 9.400 1.448 2.278 1.00 30.41 O ATOM 132 CB TRP A 9 8.659 4.754 1.864 1.00 64.30 C ATOM 133 CG TRP A 9 8.933 4.345 0.448 1.00 33.32 C ATOM 134 CD1 TRP A 9 10.147 4.036 -0.096 1.00 53.40 C ATOM 135 CD2 TRP A 9 7.971 4.201 -0.603 1.00 45.52 C ATOM 136 NE1 TRP A 9 9.998 3.710 -1.423 1.00 1.25 N ATOM 137 CE2 TRP A 9 8.673 3.803 -1.758 1.00 22.13 C ATOM 138 CE3 TRP A 9 6.586 4.369 -0.681 1.00 63.03 C ATOM 139 CZ2 TRP A 9 8.035 3.572 -2.973 1.00 62.45 C ATOM 140 CZ3 TRP A 9 5.955 4.139 -1.889 1.00 13.33 C ATOM 141 CH2 TRP A 9 6.678 3.743 -3.021 1.00 45.43 C ATOM 0 H TRP A 9 8.449 5.019 4.315 1.00 70.15 H new ATOM 0 HA TRP A 9 7.496 3.057 2.485 1.00 62.04 H new ATOM 0 HB2 TRP A 9 7.792 5.415 1.882 1.00 64.30 H new ATOM 0 HB3 TRP A 9 9.506 5.329 2.239 1.00 64.30 H new ATOM 0 HD1 TRP A 9 11.086 4.046 0.438 1.00 53.40 H new ATOM 0 HE1 TRP A 9 10.752 3.442 -2.056 1.00 1.25 H new ATOM 0 HE3 TRP A 9 6.019 4.673 0.187 1.00 63.03 H new ATOM 0 HZ2 TRP A 9 8.591 3.268 -3.847 1.00 62.45 H new ATOM 0 HZ3 TRP A 9 4.885 4.267 -1.961 1.00 13.33 H new ATOM 0 HH2 TRP A 9 6.155 3.569 -3.950 1.00 45.43 H new ATOM 152 N LYS A 10 10.743 3.028 3.149 1.00 51.21 N ATOM 153 CA LYS A 10 11.933 2.185 3.128 1.00 15.40 C ATOM 154 C LYS A 10 11.690 0.883 3.884 1.00 1.25 C ATOM 155 O LYS A 10 12.064 -0.193 3.421 1.00 63.53 O ATOM 156 CB LYS A 10 13.121 2.930 3.741 1.00 71.12 C ATOM 157 CG LYS A 10 13.896 3.768 2.739 1.00 71.13 C ATOM 158 CD LYS A 10 15.394 3.553 2.873 1.00 42.32 C ATOM 159 CE LYS A 10 16.116 3.827 1.562 1.00 10.43 C ATOM 160 NZ LYS A 10 16.167 5.283 1.251 1.00 74.31 N ATOM 0 H LYS A 10 10.898 3.967 3.517 1.00 51.21 H new ATOM 0 HA LYS A 10 12.160 1.944 2.089 1.00 15.40 H new ATOM 0 HB2 LYS A 10 12.760 3.577 4.541 1.00 71.12 H new ATOM 0 HB3 LYS A 10 13.797 2.206 4.197 1.00 71.12 H new ATOM 0 HG2 LYS A 10 13.580 3.512 1.728 1.00 71.13 H new ATOM 0 HG3 LYS A 10 13.664 4.822 2.888 1.00 71.13 H new ATOM 0 HD2 LYS A 10 15.788 4.207 3.650 1.00 42.32 H new ATOM 0 HD3 LYS A 10 15.589 2.528 3.190 1.00 42.32 H new ATOM 0 HE2 LYS A 10 17.130 3.431 1.616 1.00 10.43 H new ATOM 0 HE3 LYS A 10 15.611 3.300 0.752 1.00 10.43 H new ATOM 0 HZ1 LYS A 10 16.667 5.428 0.351 1.00 74.31 H new ATOM 0 HZ2 LYS A 10 15.199 5.656 1.174 1.00 74.31 H new ATOM 0 HZ3 LYS A 10 16.671 5.783 2.011 1.00 74.31 H new ATOM 174 N MET A 11 11.061 0.990 5.050 1.00 33.31 N ATOM 175 CA MET A 11 10.766 -0.181 5.869 1.00 42.32 C ATOM 176 C MET A 11 9.778 -1.104 5.162 1.00 4.33 C ATOM 177 O MET A 11 9.934 -2.324 5.179 1.00 23.31 O ATOM 178 CB MET A 11 10.202 0.248 7.225 1.00 74.24 C ATOM 179 CG MET A 11 10.221 -0.858 8.268 1.00 51.33 C ATOM 180 SD MET A 11 10.176 -0.222 9.954 1.00 34.04 S ATOM 181 CE MET A 11 11.911 -0.296 10.391 1.00 61.01 C ATOM 0 H MET A 11 10.746 1.874 5.449 1.00 33.31 H new ATOM 0 HA MET A 11 11.696 -0.727 6.027 1.00 42.32 H new ATOM 0 HB2 MET A 11 10.777 1.096 7.596 1.00 74.24 H new ATOM 0 HB3 MET A 11 9.176 0.592 7.091 1.00 74.24 H new ATOM 0 HG2 MET A 11 9.367 -1.517 8.109 1.00 51.33 H new ATOM 0 HG3 MET A 11 11.119 -1.462 8.135 1.00 51.33 H new ATOM 0 HE1 MET A 11 12.045 0.066 11.410 1.00 61.01 H new ATOM 0 HE2 MET A 11 12.260 -1.327 10.323 1.00 61.01 H new ATOM 0 HE3 MET A 11 12.486 0.327 9.706 1.00 61.01 H new ATOM 191 N ALA A 12 8.762 -0.513 4.543 1.00 42.53 N ATOM 192 CA ALA A 12 7.750 -1.282 3.829 1.00 25.12 C ATOM 193 C ALA A 12 8.388 -2.194 2.787 1.00 64.12 C ATOM 194 O ALA A 12 8.024 -3.364 2.666 1.00 54.03 O ATOM 195 CB ALA A 12 6.744 -0.349 3.172 1.00 30.31 C ATOM 0 H ALA A 12 8.618 0.496 4.521 1.00 42.53 H new ATOM 0 HA ALA A 12 7.228 -1.909 4.552 1.00 25.12 H new ATOM 0 HB1 ALA A 12 5.994 -0.937 2.642 1.00 30.31 H new ATOM 0 HB2 ALA A 12 6.257 0.257 3.936 1.00 30.31 H new ATOM 0 HB3 ALA A 12 7.259 0.303 2.466 1.00 30.31 H new ATOM 201 N ILE A 13 9.341 -1.651 2.036 1.00 22.44 N ATOM 202 CA ILE A 13 10.029 -2.417 1.005 1.00 64.33 C ATOM 203 C ILE A 13 11.066 -3.355 1.615 1.00 11.42 C ATOM 204 O ILE A 13 11.371 -4.409 1.057 1.00 3.32 O ATOM 205 CB ILE A 13 10.725 -1.493 -0.012 1.00 62.43 C ATOM 206 CG1 ILE A 13 9.703 -0.571 -0.679 1.00 74.23 C ATOM 207 CG2 ILE A 13 11.464 -2.317 -1.057 1.00 3.34 C ATOM 208 CD1 ILE A 13 10.311 0.372 -1.694 1.00 34.23 C ATOM 0 H ILE A 13 9.654 -0.684 2.123 1.00 22.44 H new ATOM 0 HA ILE A 13 9.270 -3.005 0.490 1.00 64.33 H new ATOM 0 HB ILE A 13 11.452 -0.877 0.517 1.00 62.43 H new ATOM 0 HG12 ILE A 13 8.943 -1.179 -1.170 1.00 74.23 H new ATOM 0 HG13 ILE A 13 9.197 0.013 0.090 1.00 74.23 H new ATOM 0 HG21 ILE A 13 11.951 -1.650 -1.769 1.00 3.34 H new ATOM 0 HG22 ILE A 13 12.216 -2.936 -0.567 1.00 3.34 H new ATOM 0 HG23 ILE A 13 10.755 -2.956 -1.584 1.00 3.34 H new ATOM 0 HD11 ILE A 13 9.528 0.995 -2.126 1.00 34.23 H new ATOM 0 HD12 ILE A 13 11.050 1.006 -1.205 1.00 34.23 H new ATOM 0 HD13 ILE A 13 10.793 -0.205 -2.483 1.00 34.23 H new ATOM 220 N LYS A 14 11.603 -2.964 2.766 1.00 21.51 N ATOM 221 CA LYS A 14 12.603 -3.770 3.456 1.00 25.21 C ATOM 222 C LYS A 14 12.060 -5.160 3.770 1.00 20.35 C ATOM 223 O LYS A 14 12.727 -6.167 3.529 1.00 13.21 O ATOM 224 CB LYS A 14 13.042 -3.078 4.749 1.00 64.34 C ATOM 225 CG LYS A 14 14.164 -3.801 5.475 1.00 40.24 C ATOM 226 CD LYS A 14 13.686 -4.393 6.790 1.00 5.41 C ATOM 227 CE LYS A 14 14.854 -4.823 7.664 1.00 24.40 C ATOM 228 NZ LYS A 14 14.395 -5.447 8.936 1.00 71.43 N ATOM 0 H LYS A 14 11.362 -2.094 3.240 1.00 21.51 H new ATOM 0 HA LYS A 14 13.465 -3.877 2.797 1.00 25.21 H new ATOM 0 HB2 LYS A 14 13.365 -2.063 4.516 1.00 64.34 H new ATOM 0 HB3 LYS A 14 12.184 -2.994 5.416 1.00 64.34 H new ATOM 0 HG2 LYS A 14 14.558 -4.594 4.840 1.00 40.24 H new ATOM 0 HG3 LYS A 14 14.983 -3.107 5.664 1.00 40.24 H new ATOM 0 HD2 LYS A 14 13.082 -3.658 7.323 1.00 5.41 H new ATOM 0 HD3 LYS A 14 13.043 -5.251 6.592 1.00 5.41 H new ATOM 0 HE2 LYS A 14 15.476 -5.531 7.116 1.00 24.40 H new ATOM 0 HE3 LYS A 14 15.478 -3.958 7.888 1.00 24.40 H new ATOM 0 HZ1 LYS A 14 15.221 -5.726 9.503 1.00 71.43 H new ATOM 0 HZ2 LYS A 14 13.822 -4.763 9.471 1.00 71.43 H new ATOM 0 HZ3 LYS A 14 13.821 -6.288 8.723 1.00 71.43 H new ATOM 242 N ARG A 15 10.846 -5.208 4.309 1.00 72.34 N ATOM 243 CA ARG A 15 10.213 -6.475 4.655 1.00 23.33 C ATOM 244 C ARG A 15 9.621 -7.144 3.418 1.00 1.21 C ATOM 245 O ARG A 15 9.778 -8.349 3.216 1.00 10.52 O ATOM 246 CB ARG A 15 9.119 -6.254 5.702 1.00 64.14 C ATOM 247 CG ARG A 15 9.357 -7.008 7.000 1.00 2.41 C ATOM 248 CD ARG A 15 9.923 -6.096 8.078 1.00 41.14 C ATOM 249 NE ARG A 15 9.604 -6.572 9.421 1.00 71.23 N ATOM 250 CZ ARG A 15 10.041 -5.988 10.531 1.00 61.22 C ATOM 251 NH1 ARG A 15 10.811 -4.912 10.458 1.00 4.42 N ATOM 252 NH2 ARG A 15 9.707 -6.481 11.717 1.00 44.12 N ATOM 0 H ARG A 15 10.281 -4.384 4.515 1.00 72.34 H new ATOM 0 HA ARG A 15 10.977 -7.132 5.071 1.00 23.33 H new ATOM 0 HB2 ARG A 15 9.046 -5.188 5.919 1.00 64.14 H new ATOM 0 HB3 ARG A 15 8.160 -6.561 5.284 1.00 64.14 H new ATOM 0 HG2 ARG A 15 8.420 -7.444 7.346 1.00 2.41 H new ATOM 0 HG3 ARG A 15 10.046 -7.834 6.822 1.00 2.41 H new ATOM 0 HD2 ARG A 15 11.005 -6.029 7.965 1.00 41.14 H new ATOM 0 HD3 ARG A 15 9.526 -5.089 7.946 1.00 41.14 H new ATOM 0 HE ARG A 15 9.013 -7.398 9.512 1.00 71.23 H new ATOM 0 HH11 ARG A 15 11.069 -4.531 9.548 1.00 4.42 H new ATOM 0 HH12 ARG A 15 11.145 -4.465 11.312 1.00 4.42 H new ATOM 0 HH21 ARG A 15 9.114 -7.309 11.777 1.00 44.12 H new ATOM 0 HH22 ARG A 15 10.043 -6.032 12.569 1.00 44.12 H new ATOM 266 N CYS A 16 8.940 -6.355 2.594 1.00 5.45 N ATOM 267 CA CYS A 16 8.323 -6.870 1.377 1.00 23.15 C ATOM 268 C CYS A 16 9.374 -7.460 0.443 1.00 62.50 C ATOM 269 O CYS A 16 9.066 -8.302 -0.401 1.00 24.32 O ATOM 270 CB CYS A 16 7.553 -5.760 0.662 1.00 51.43 C ATOM 271 SG CYS A 16 6.705 -6.300 -0.841 1.00 41.22 S ATOM 0 H CYS A 16 8.801 -5.356 2.747 1.00 5.45 H new ATOM 0 HA CYS A 16 7.628 -7.661 1.658 1.00 23.15 H new ATOM 0 HB2 CYS A 16 6.819 -5.341 1.350 1.00 51.43 H new ATOM 0 HB3 CYS A 16 8.246 -4.958 0.407 1.00 51.43 H new ATOM 0 HG CYS A 16 7.426 -5.996 -1.879 1.00 41.22 H new ATOM 277 N SER A 17 10.616 -7.012 0.598 1.00 12.04 N ATOM 278 CA SER A 17 11.712 -7.492 -0.235 1.00 52.32 C ATOM 279 C SER A 17 11.916 -8.993 -0.053 1.00 2.41 C ATOM 280 O SER A 17 12.541 -9.650 -0.884 1.00 21.32 O ATOM 281 CB SER A 17 13.003 -6.745 0.104 1.00 42.22 C ATOM 282 OG SER A 17 13.187 -5.630 -0.751 1.00 52.31 O ATOM 0 H SER A 17 10.888 -6.317 1.293 1.00 12.04 H new ATOM 0 HA SER A 17 11.454 -7.302 -1.277 1.00 52.32 H new ATOM 0 HB2 SER A 17 12.972 -6.411 1.141 1.00 42.22 H new ATOM 0 HB3 SER A 17 13.853 -7.421 0.013 1.00 42.22 H new ATOM 0 HG SER A 17 12.544 -4.928 -0.517 1.00 52.31 H new ATOM 288 N ASN A 18 11.384 -9.527 1.041 1.00 21.33 N ATOM 289 CA ASN A 18 11.508 -10.951 1.334 1.00 10.45 C ATOM 290 C ASN A 18 10.280 -11.715 0.849 1.00 42.13 C ATOM 291 O ASN A 18 9.945 -12.774 1.379 1.00 61.32 O ATOM 292 CB ASN A 18 11.697 -11.169 2.837 1.00 12.51 C ATOM 293 CG ASN A 18 12.931 -11.991 3.151 1.00 24.24 C ATOM 294 OD1 ASN A 18 12.841 -13.190 3.416 1.00 62.23 O ATOM 295 ND2 ASN A 18 14.093 -11.348 3.124 1.00 21.42 N ATOM 0 H ASN A 18 10.863 -8.996 1.739 1.00 21.33 H new ATOM 0 HA ASN A 18 12.382 -11.330 0.805 1.00 10.45 H new ATOM 0 HB2 ASN A 18 11.771 -10.202 3.335 1.00 12.51 H new ATOM 0 HB3 ASN A 18 10.818 -11.670 3.242 1.00 12.51 H new ATOM 0 HD21 ASN A 18 14.958 -11.849 3.328 1.00 21.42 H new ATOM 0 HD22 ASN A 18 14.120 -10.353 2.899 1.00 21.42 H new ATOM 302 N VAL A 19 9.613 -11.170 -0.164 1.00 20.22 N ATOM 303 CA VAL A 19 8.423 -11.801 -0.723 1.00 4.01 C ATOM 304 C VAL A 19 8.733 -12.475 -2.055 1.00 41.30 C ATOM 305 O VAL A 19 9.497 -11.950 -2.865 1.00 14.21 O ATOM 306 CB VAL A 19 7.290 -10.778 -0.929 1.00 20.44 C ATOM 307 CG1 VAL A 19 6.069 -11.450 -1.538 1.00 50.15 C ATOM 308 CG2 VAL A 19 6.936 -10.104 0.388 1.00 31.23 C ATOM 0 H VAL A 19 9.876 -10.293 -0.614 1.00 20.22 H new ATOM 0 HA VAL A 19 8.097 -12.554 -0.005 1.00 4.01 H new ATOM 0 HB VAL A 19 7.637 -10.011 -1.622 1.00 20.44 H new ATOM 0 HG11 VAL A 19 5.279 -10.712 -1.676 1.00 50.15 H new ATOM 0 HG12 VAL A 19 6.335 -11.882 -2.503 1.00 50.15 H new ATOM 0 HG13 VAL A 19 5.717 -12.238 -0.872 1.00 50.15 H new ATOM 0 HG21 VAL A 19 6.134 -9.384 0.224 1.00 31.23 H new ATOM 0 HG22 VAL A 19 6.608 -10.856 1.105 1.00 31.23 H new ATOM 0 HG23 VAL A 19 7.812 -9.588 0.780 1.00 31.23 H new ATOM 318 N ALA A 20 8.135 -13.641 -2.275 1.00 53.34 N ATOM 319 CA ALA A 20 8.344 -14.386 -3.511 1.00 4.44 C ATOM 320 C ALA A 20 7.232 -14.106 -4.516 1.00 22.33 C ATOM 321 O ALA A 20 6.110 -13.771 -4.137 1.00 53.15 O ATOM 322 CB ALA A 20 8.433 -15.876 -3.219 1.00 62.33 C ATOM 0 H ALA A 20 7.502 -14.090 -1.614 1.00 53.34 H new ATOM 0 HA ALA A 20 9.285 -14.056 -3.951 1.00 4.44 H new ATOM 0 HB1 ALA A 20 8.589 -16.421 -4.150 1.00 62.33 H new ATOM 0 HB2 ALA A 20 9.267 -16.065 -2.544 1.00 62.33 H new ATOM 0 HB3 ALA A 20 7.506 -16.212 -2.753 1.00 62.33 H new ATOM 328 N VAL A 21 7.551 -14.246 -5.799 1.00 22.25 N ATOM 329 CA VAL A 21 6.579 -14.009 -6.858 1.00 75.25 C ATOM 330 C VAL A 21 5.725 -15.247 -7.108 1.00 33.44 C ATOM 331 O VAL A 21 4.505 -15.157 -7.236 1.00 75.33 O ATOM 332 CB VAL A 21 7.269 -13.602 -8.174 1.00 24.44 C ATOM 333 CG1 VAL A 21 6.239 -13.176 -9.208 1.00 63.25 C ATOM 334 CG2 VAL A 21 8.278 -12.491 -7.924 1.00 15.03 C ATOM 0 H VAL A 21 8.476 -14.522 -6.129 1.00 22.25 H new ATOM 0 HA VAL A 21 5.941 -13.192 -6.523 1.00 75.25 H new ATOM 0 HB VAL A 21 7.804 -14.467 -8.566 1.00 24.44 H new ATOM 0 HG11 VAL A 21 6.745 -12.892 -10.131 1.00 63.25 H new ATOM 0 HG12 VAL A 21 5.559 -14.004 -9.407 1.00 63.25 H new ATOM 0 HG13 VAL A 21 5.673 -12.325 -8.829 1.00 63.25 H new ATOM 0 HG21 VAL A 21 8.756 -12.216 -8.864 1.00 15.03 H new ATOM 0 HG22 VAL A 21 7.767 -11.622 -7.509 1.00 15.03 H new ATOM 0 HG23 VAL A 21 9.034 -12.838 -7.220 1.00 15.03 H new ATOM 344 N GLY A 22 6.375 -16.405 -7.174 1.00 65.01 N ATOM 345 CA GLY A 22 5.660 -17.646 -7.407 1.00 41.12 C ATOM 346 C GLY A 22 5.503 -18.471 -6.145 1.00 51.51 C ATOM 347 O GLY A 22 5.917 -18.050 -5.065 1.00 32.25 O ATOM 0 H GLY A 22 7.385 -16.506 -7.070 1.00 65.01 H new ATOM 0 HA2 GLY A 22 4.675 -17.423 -7.816 1.00 41.12 H new ATOM 0 HA3 GLY A 22 6.191 -18.232 -8.157 1.00 41.12 H new ATOM 351 N VAL A 23 4.901 -19.648 -6.280 1.00 65.24 N ATOM 352 CA VAL A 23 4.690 -20.534 -5.142 1.00 12.12 C ATOM 353 C VAL A 23 5.751 -21.627 -5.091 1.00 62.01 C ATOM 354 O VAL A 23 6.097 -22.122 -4.019 1.00 71.12 O ATOM 355 CB VAL A 23 3.296 -21.188 -5.191 1.00 64.53 C ATOM 356 CG1 VAL A 23 2.207 -20.127 -5.187 1.00 41.24 C ATOM 357 CG2 VAL A 23 3.173 -22.086 -6.413 1.00 61.21 C ATOM 0 H VAL A 23 4.551 -20.010 -7.167 1.00 65.24 H new ATOM 0 HA VAL A 23 4.764 -19.919 -4.245 1.00 12.12 H new ATOM 0 HB VAL A 23 3.171 -21.804 -4.301 1.00 64.53 H new ATOM 0 HG11 VAL A 23 1.230 -20.609 -5.222 1.00 41.24 H new ATOM 0 HG12 VAL A 23 2.285 -19.529 -4.279 1.00 41.24 H new ATOM 0 HG13 VAL A 23 2.325 -19.481 -6.057 1.00 41.24 H new ATOM 0 HG21 VAL A 23 2.182 -22.540 -6.432 1.00 61.21 H new ATOM 0 HG22 VAL A 23 3.318 -21.493 -7.316 1.00 61.21 H new ATOM 0 HG23 VAL A 23 3.930 -22.869 -6.367 1.00 61.21 H new ATOM 436 N LYS A 29 12.490 -13.424 -5.507 1.00 3.15 N ATOM 437 CA LYS A 29 11.740 -12.424 -4.756 1.00 32.32 C ATOM 438 C LYS A 29 11.642 -11.118 -5.537 1.00 3.55 C ATOM 439 O LYS A 29 12.342 -10.923 -6.531 1.00 32.21 O ATOM 440 CB LYS A 29 12.402 -12.172 -3.399 1.00 72.23 C ATOM 441 CG LYS A 29 12.272 -13.337 -2.433 1.00 54.21 C ATOM 442 CD LYS A 29 13.412 -14.328 -2.597 1.00 11.40 C ATOM 443 CE LYS A 29 13.367 -15.411 -1.530 1.00 74.04 C ATOM 444 NZ LYS A 29 13.169 -16.763 -2.122 1.00 33.45 N ATOM 0 HA LYS A 29 10.732 -12.807 -4.595 1.00 32.32 H new ATOM 0 HB2 LYS A 29 13.459 -11.956 -3.554 1.00 72.23 H new ATOM 0 HB3 LYS A 29 11.958 -11.285 -2.947 1.00 72.23 H new ATOM 0 HG2 LYS A 29 12.259 -12.962 -1.410 1.00 54.21 H new ATOM 0 HG3 LYS A 29 11.321 -13.844 -2.599 1.00 54.21 H new ATOM 0 HD2 LYS A 29 13.358 -14.786 -3.585 1.00 11.40 H new ATOM 0 HD3 LYS A 29 14.364 -13.801 -2.542 1.00 11.40 H new ATOM 0 HE2 LYS A 29 14.295 -15.397 -0.958 1.00 74.04 H new ATOM 0 HE3 LYS A 29 12.559 -15.199 -0.830 1.00 74.04 H new ATOM 0 HZ1 LYS A 29 13.144 -17.474 -1.363 1.00 33.45 H new ATOM 0 HZ2 LYS A 29 12.271 -16.784 -2.646 1.00 33.45 H new ATOM 0 HZ3 LYS A 29 13.954 -16.976 -2.770 1.00 33.45 H new ATOM 458 N PHE A 30 10.772 -10.224 -5.079 1.00 54.11 N ATOM 459 CA PHE A 30 10.583 -8.935 -5.735 1.00 4.13 C ATOM 460 C PHE A 30 11.693 -7.961 -5.349 1.00 63.41 C ATOM 461 O PHE A 30 12.500 -8.242 -4.464 1.00 1.23 O ATOM 462 CB PHE A 30 9.221 -8.345 -5.365 1.00 11.11 C ATOM 463 CG PHE A 30 8.060 -9.141 -5.889 1.00 65.52 C ATOM 464 CD1 PHE A 30 7.617 -8.970 -7.191 1.00 23.22 C ATOM 465 CD2 PHE A 30 7.413 -10.062 -5.081 1.00 2.23 C ATOM 466 CE1 PHE A 30 6.549 -9.701 -7.675 1.00 62.33 C ATOM 467 CE2 PHE A 30 6.345 -10.796 -5.560 1.00 33.20 C ATOM 468 CZ PHE A 30 5.913 -10.616 -6.859 1.00 70.34 C ATOM 0 H PHE A 30 10.187 -10.368 -4.256 1.00 54.11 H new ATOM 0 HA PHE A 30 10.621 -9.095 -6.813 1.00 4.13 H new ATOM 0 HB2 PHE A 30 9.145 -8.279 -4.280 1.00 11.11 H new ATOM 0 HB3 PHE A 30 9.158 -7.328 -5.751 1.00 11.11 H new ATOM 0 HD1 PHE A 30 8.112 -8.258 -7.834 1.00 23.22 H new ATOM 0 HD2 PHE A 30 7.748 -10.208 -4.065 1.00 2.23 H new ATOM 0 HE1 PHE A 30 6.212 -9.557 -8.691 1.00 62.33 H new ATOM 0 HE2 PHE A 30 5.849 -11.510 -4.919 1.00 33.20 H new ATOM 0 HZ PHE A 30 5.079 -11.190 -7.236 1.00 70.34 H new ATOM 478 N GLY A 31 11.727 -6.815 -6.022 1.00 63.12 N ATOM 479 CA GLY A 31 12.742 -5.817 -5.737 1.00 71.41 C ATOM 480 C GLY A 31 12.162 -4.424 -5.599 1.00 51.31 C ATOM 481 O GLY A 31 10.999 -4.194 -5.928 1.00 52.24 O ATOM 0 H GLY A 31 11.070 -6.560 -6.759 1.00 63.12 H new ATOM 0 HA2 GLY A 31 13.261 -6.084 -4.817 1.00 71.41 H new ATOM 0 HA3 GLY A 31 13.485 -5.821 -6.535 1.00 71.41 H new ATOM 485 N GLU A 32 12.974 -3.492 -5.109 1.00 60.14 N ATOM 486 CA GLU A 32 12.533 -2.114 -4.926 1.00 74.55 C ATOM 487 C GLU A 32 12.187 -1.471 -6.266 1.00 72.54 C ATOM 488 O GLU A 32 11.177 -0.780 -6.393 1.00 61.24 O ATOM 489 CB GLU A 32 13.617 -1.297 -4.221 1.00 62.41 C ATOM 490 CG GLU A 32 14.958 -1.322 -4.935 1.00 4.22 C ATOM 491 CD GLU A 32 16.131 -1.344 -3.973 1.00 74.11 C ATOM 492 OE1 GLU A 32 16.293 -2.355 -3.258 1.00 12.53 O ATOM 493 OE2 GLU A 32 16.886 -0.350 -3.937 1.00 21.24 O ATOM 0 H GLU A 32 13.940 -3.666 -4.832 1.00 60.14 H new ATOM 0 HA GLU A 32 11.637 -2.126 -4.306 1.00 74.55 H new ATOM 0 HB2 GLU A 32 13.281 -0.264 -4.132 1.00 62.41 H new ATOM 0 HB3 GLU A 32 13.747 -1.678 -3.208 1.00 62.41 H new ATOM 0 HG2 GLU A 32 15.006 -2.199 -5.580 1.00 4.22 H new ATOM 0 HG3 GLU A 32 15.038 -0.447 -5.580 1.00 4.22 H new ATOM 500 N GLY A 33 13.034 -1.705 -7.264 1.00 50.45 N ATOM 501 CA GLY A 33 12.802 -1.141 -8.581 1.00 72.15 C ATOM 502 C GLY A 33 11.503 -1.622 -9.197 1.00 52.01 C ATOM 503 O GLY A 33 10.875 -0.906 -9.976 1.00 11.12 O ATOM 0 H GLY A 33 13.876 -2.275 -7.184 1.00 50.45 H new ATOM 0 HA2 GLY A 33 12.786 -0.053 -8.509 1.00 72.15 H new ATOM 0 HA3 GLY A 33 13.631 -1.405 -9.237 1.00 72.15 H new ATOM 507 N ASN A 34 11.099 -2.839 -8.848 1.00 65.44 N ATOM 508 CA ASN A 34 9.868 -3.416 -9.374 1.00 75.31 C ATOM 509 C ASN A 34 8.646 -2.786 -8.713 1.00 11.35 C ATOM 510 O ASN A 34 7.679 -2.426 -9.384 1.00 72.54 O ATOM 511 CB ASN A 34 9.855 -4.931 -9.156 1.00 1.44 C ATOM 512 CG ASN A 34 10.561 -5.681 -10.269 1.00 35.24 C ATOM 513 OD1 ASN A 34 10.886 -5.109 -11.309 1.00 22.01 O ATOM 514 ND2 ASN A 34 10.800 -6.970 -10.054 1.00 53.30 N ATOM 0 H ASN A 34 11.607 -3.445 -8.203 1.00 65.44 H new ATOM 0 HA ASN A 34 9.828 -3.209 -10.443 1.00 75.31 H new ATOM 0 HB2 ASN A 34 10.334 -5.163 -8.205 1.00 1.44 H new ATOM 0 HB3 ASN A 34 8.824 -5.276 -9.086 1.00 1.44 H new ATOM 0 HD21 ASN A 34 11.271 -7.527 -10.767 1.00 53.30 H new ATOM 0 HD22 ASN A 34 10.513 -7.402 -9.176 1.00 53.30 H new ATOM 521 N PHE A 35 8.698 -2.654 -7.391 1.00 55.22 N ATOM 522 CA PHE A 35 7.595 -2.067 -6.638 1.00 5.11 C ATOM 523 C PHE A 35 7.263 -0.671 -7.158 1.00 63.42 C ATOM 524 O PHE A 35 6.097 -0.334 -7.359 1.00 54.30 O ATOM 525 CB PHE A 35 7.946 -1.999 -5.150 1.00 40.41 C ATOM 526 CG PHE A 35 8.263 -3.337 -4.547 1.00 25.10 C ATOM 527 CD1 PHE A 35 7.499 -4.450 -4.856 1.00 74.13 C ATOM 528 CD2 PHE A 35 9.327 -3.482 -3.670 1.00 54.02 C ATOM 529 CE1 PHE A 35 7.788 -5.683 -4.303 1.00 62.44 C ATOM 530 CE2 PHE A 35 9.621 -4.713 -3.115 1.00 3.34 C ATOM 531 CZ PHE A 35 8.850 -5.814 -3.431 1.00 24.45 C ATOM 0 H PHE A 35 9.491 -2.945 -6.820 1.00 55.22 H new ATOM 0 HA PHE A 35 6.719 -2.702 -6.770 1.00 5.11 H new ATOM 0 HB2 PHE A 35 8.802 -1.337 -5.017 1.00 40.41 H new ATOM 0 HB3 PHE A 35 7.112 -1.554 -4.608 1.00 40.41 H new ATOM 0 HD1 PHE A 35 6.667 -4.353 -5.538 1.00 74.13 H new ATOM 0 HD2 PHE A 35 9.932 -2.624 -3.418 1.00 54.02 H new ATOM 0 HE1 PHE A 35 7.184 -6.543 -4.553 1.00 62.44 H new ATOM 0 HE2 PHE A 35 10.453 -4.814 -2.434 1.00 3.34 H new ATOM 0 HZ PHE A 35 9.078 -6.776 -2.997 1.00 24.45 H new ATOM 541 N ARG A 36 8.298 0.135 -7.374 1.00 35.13 N ATOM 542 CA ARG A 36 8.116 1.494 -7.869 1.00 4.23 C ATOM 543 C ARG A 36 7.619 1.486 -9.311 1.00 75.30 C ATOM 544 O ARG A 36 6.740 2.265 -9.679 1.00 54.11 O ATOM 545 CB ARG A 36 9.430 2.273 -7.776 1.00 30.22 C ATOM 546 CG ARG A 36 10.581 1.616 -8.520 1.00 41.10 C ATOM 547 CD ARG A 36 11.885 2.368 -8.304 1.00 41.03 C ATOM 548 NE ARG A 36 12.623 2.554 -9.551 1.00 73.40 N ATOM 549 CZ ARG A 36 12.254 3.403 -10.504 1.00 31.24 C ATOM 550 NH1 ARG A 36 11.163 4.141 -10.352 1.00 71.13 N ATOM 551 NH2 ARG A 36 12.977 3.515 -11.610 1.00 44.42 N ATOM 0 H ARG A 36 9.270 -0.130 -7.214 1.00 35.13 H new ATOM 0 HA ARG A 36 7.366 1.983 -7.247 1.00 4.23 H new ATOM 0 HB2 ARG A 36 9.277 3.276 -8.174 1.00 30.22 H new ATOM 0 HB3 ARG A 36 9.703 2.384 -6.727 1.00 30.22 H new ATOM 0 HG2 ARG A 36 10.693 0.586 -8.182 1.00 41.10 H new ATOM 0 HG3 ARG A 36 10.353 1.579 -9.585 1.00 41.10 H new ATOM 0 HD2 ARG A 36 11.673 3.341 -7.860 1.00 41.03 H new ATOM 0 HD3 ARG A 36 12.505 1.821 -7.594 1.00 41.03 H new ATOM 0 HE ARG A 36 13.468 2.002 -9.698 1.00 73.40 H new ATOM 0 HH11 ARG A 36 10.605 4.058 -9.502 1.00 71.13 H new ATOM 0 HH12 ARG A 36 10.882 4.792 -11.085 1.00 71.13 H new ATOM 0 HH21 ARG A 36 13.817 2.949 -11.730 1.00 44.42 H new ATOM 0 HH22 ARG A 36 12.693 4.167 -12.341 1.00 44.42 H new ATOM 565 N TRP A 37 8.186 0.601 -10.122 1.00 25.40 N ATOM 566 CA TRP A 37 7.801 0.491 -11.524 1.00 54.43 C ATOM 567 C TRP A 37 6.313 0.183 -11.657 1.00 43.32 C ATOM 568 O TRP A 37 5.678 0.557 -12.643 1.00 3.53 O ATOM 569 CB TRP A 37 8.623 -0.596 -12.218 1.00 2.23 C ATOM 570 CG TRP A 37 8.163 -0.890 -13.613 1.00 75.02 C ATOM 571 CD1 TRP A 37 8.714 -0.426 -14.773 1.00 53.23 C ATOM 572 CD2 TRP A 37 7.055 -1.713 -13.994 1.00 73.03 C ATOM 573 NE1 TRP A 37 8.015 -0.911 -15.853 1.00 2.43 N ATOM 574 CE2 TRP A 37 6.993 -1.703 -15.402 1.00 23.54 C ATOM 575 CE3 TRP A 37 6.110 -2.459 -13.284 1.00 41.31 C ATOM 576 CZ2 TRP A 37 6.024 -2.410 -16.109 1.00 10.41 C ATOM 577 CZ3 TRP A 37 5.148 -3.159 -13.988 1.00 5.34 C ATOM 578 CH2 TRP A 37 5.112 -3.131 -15.388 1.00 74.01 C ATOM 0 H TRP A 37 8.915 -0.052 -9.833 1.00 25.40 H new ATOM 0 HA TRP A 37 8.000 1.449 -12.005 1.00 54.43 H new ATOM 0 HB2 TRP A 37 9.668 -0.289 -12.245 1.00 2.23 H new ATOM 0 HB3 TRP A 37 8.575 -1.511 -11.627 1.00 2.23 H new ATOM 0 HD1 TRP A 37 9.573 0.226 -14.833 1.00 53.23 H new ATOM 0 HE1 TRP A 37 8.224 -0.713 -16.832 1.00 2.43 H new ATOM 0 HE3 TRP A 37 6.131 -2.488 -12.205 1.00 41.31 H new ATOM 0 HZ2 TRP A 37 5.993 -2.390 -17.188 1.00 10.41 H new ATOM 0 HZ3 TRP A 37 4.412 -3.737 -13.449 1.00 5.34 H new ATOM 0 HH2 TRP A 37 4.349 -3.690 -15.909 1.00 74.01 H new ATOM 589 N ALA A 38 5.764 -0.501 -10.659 1.00 55.41 N ATOM 590 CA ALA A 38 4.350 -0.857 -10.664 1.00 40.44 C ATOM 591 C ALA A 38 3.482 0.336 -10.278 1.00 1.20 C ATOM 592 O ALA A 38 2.629 0.771 -11.052 1.00 10.51 O ATOM 593 CB ALA A 38 4.096 -2.024 -9.722 1.00 42.11 C ATOM 0 H ALA A 38 6.276 -0.820 -9.837 1.00 55.41 H new ATOM 0 HA ALA A 38 4.080 -1.157 -11.677 1.00 40.44 H new ATOM 0 HB1 ALA A 38 3.036 -2.279 -9.736 1.00 42.11 H new ATOM 0 HB2 ALA A 38 4.681 -2.886 -10.044 1.00 42.11 H new ATOM 0 HB3 ALA A 38 4.389 -1.745 -8.710 1.00 42.11 H new ATOM 599 N ILE A 39 3.705 0.860 -9.077 1.00 72.41 N ATOM 600 CA ILE A 39 2.943 2.002 -8.589 1.00 53.32 C ATOM 601 C ILE A 39 3.083 3.197 -9.526 1.00 50.12 C ATOM 602 O ILE A 39 2.114 3.909 -9.790 1.00 73.35 O ATOM 603 CB ILE A 39 3.393 2.417 -7.176 1.00 33.12 C ATOM 604 CG1 ILE A 39 2.615 3.650 -6.711 1.00 22.24 C ATOM 605 CG2 ILE A 39 4.889 2.689 -7.155 1.00 24.10 C ATOM 606 CD1 ILE A 39 1.962 3.477 -5.357 1.00 50.12 C ATOM 0 H ILE A 39 4.407 0.511 -8.425 1.00 72.41 H new ATOM 0 HA ILE A 39 1.899 1.692 -8.552 1.00 53.32 H new ATOM 0 HB ILE A 39 3.183 1.598 -6.489 1.00 33.12 H new ATOM 0 HG12 ILE A 39 3.292 4.504 -6.673 1.00 22.24 H new ATOM 0 HG13 ILE A 39 1.847 3.885 -7.448 1.00 22.24 H new ATOM 0 HG21 ILE A 39 5.192 2.981 -6.149 1.00 24.10 H new ATOM 0 HG22 ILE A 39 5.427 1.787 -7.448 1.00 24.10 H new ATOM 0 HG23 ILE A 39 5.122 3.494 -7.852 1.00 24.10 H new ATOM 0 HD11 ILE A 39 1.428 4.389 -5.091 1.00 50.12 H new ATOM 0 HD12 ILE A 39 1.260 2.644 -5.395 1.00 50.12 H new ATOM 0 HD13 ILE A 39 2.727 3.273 -4.608 1.00 50.12 H new ATOM 618 N ARG A 40 4.295 3.410 -10.027 1.00 4.31 N ATOM 619 CA ARG A 40 4.563 4.519 -10.935 1.00 73.35 C ATOM 620 C ARG A 40 3.828 4.326 -12.259 1.00 14.43 C ATOM 621 O ARG A 40 3.089 5.205 -12.703 1.00 44.11 O ATOM 622 CB ARG A 40 6.066 4.647 -11.189 1.00 11.21 C ATOM 623 CG ARG A 40 6.846 5.145 -9.984 1.00 4.44 C ATOM 624 CD ARG A 40 7.090 6.645 -10.059 1.00 22.53 C ATOM 625 NE ARG A 40 8.095 7.085 -9.095 1.00 24.41 N ATOM 626 CZ ARG A 40 8.652 8.291 -9.112 1.00 71.43 C ATOM 627 NH1 ARG A 40 8.303 9.172 -10.039 1.00 14.21 N ATOM 628 NH2 ARG A 40 9.560 8.617 -8.201 1.00 73.12 N ATOM 0 H ARG A 40 5.107 2.829 -9.820 1.00 4.31 H new ATOM 0 HA ARG A 40 4.201 5.435 -10.467 1.00 73.35 H new ATOM 0 HB2 ARG A 40 6.459 3.676 -11.490 1.00 11.21 H new ATOM 0 HB3 ARG A 40 6.228 5.329 -12.024 1.00 11.21 H new ATOM 0 HG2 ARG A 40 6.298 4.910 -9.072 1.00 4.44 H new ATOM 0 HG3 ARG A 40 7.801 4.622 -9.926 1.00 4.44 H new ATOM 0 HD2 ARG A 40 7.413 6.910 -11.066 1.00 22.53 H new ATOM 0 HD3 ARG A 40 6.155 7.174 -9.875 1.00 22.53 H new ATOM 0 HE ARG A 40 8.385 6.430 -8.369 1.00 24.41 H new ATOM 0 HH11 ARG A 40 7.606 8.924 -10.741 1.00 14.21 H new ATOM 0 HH12 ARG A 40 8.732 10.097 -10.050 1.00 14.21 H new ATOM 0 HH21 ARG A 40 9.831 7.941 -7.487 1.00 73.12 H new ATOM 0 HH22 ARG A 40 9.987 9.543 -8.215 1.00 73.12 H new ATOM 642 N MET A 41 4.036 3.172 -12.883 1.00 34.21 N ATOM 643 CA MET A 41 3.392 2.864 -14.155 1.00 0.31 C ATOM 644 C MET A 41 1.884 3.079 -14.067 1.00 44.43 C ATOM 645 O MET A 41 1.281 3.676 -14.958 1.00 15.40 O ATOM 646 CB MET A 41 3.690 1.421 -14.566 1.00 40.10 C ATOM 647 CG MET A 41 2.984 0.995 -15.843 1.00 34.34 C ATOM 648 SD MET A 41 4.132 0.466 -17.128 1.00 72.33 S ATOM 649 CE MET A 41 3.661 1.553 -18.471 1.00 40.51 C ATOM 0 H MET A 41 4.645 2.434 -12.529 1.00 34.21 H new ATOM 0 HA MET A 41 3.794 3.539 -14.910 1.00 0.31 H new ATOM 0 HB2 MET A 41 4.766 1.304 -14.699 1.00 40.10 H new ATOM 0 HB3 MET A 41 3.395 0.753 -13.757 1.00 40.10 H new ATOM 0 HG2 MET A 41 2.296 0.180 -15.618 1.00 34.34 H new ATOM 0 HG3 MET A 41 2.384 1.825 -16.216 1.00 34.34 H new ATOM 0 HE1 MET A 41 4.284 1.347 -19.342 1.00 40.51 H new ATOM 0 HE2 MET A 41 2.615 1.385 -18.725 1.00 40.51 H new ATOM 0 HE3 MET A 41 3.798 2.590 -18.165 1.00 40.51 H new ATOM 659 N ALA A 42 1.283 2.589 -12.989 1.00 32.24 N ATOM 660 CA ALA A 42 -0.154 2.729 -12.785 1.00 4.24 C ATOM 661 C ALA A 42 -0.542 4.193 -12.605 1.00 71.20 C ATOM 662 O ALA A 42 -1.514 4.663 -13.194 1.00 51.32 O ATOM 663 CB ALA A 42 -0.598 1.912 -11.581 1.00 32.40 C ATOM 0 H ALA A 42 1.768 2.091 -12.243 1.00 32.24 H new ATOM 0 HA ALA A 42 -0.661 2.352 -13.673 1.00 4.24 H new ATOM 0 HB1 ALA A 42 -1.673 2.026 -11.440 1.00 32.40 H new ATOM 0 HB2 ALA A 42 -0.363 0.861 -11.748 1.00 32.40 H new ATOM 0 HB3 ALA A 42 -0.076 2.263 -10.691 1.00 32.40 H new ATOM 669 N ASN A 43 0.224 4.907 -11.787 1.00 14.42 N ATOM 670 CA ASN A 43 -0.042 6.318 -11.529 1.00 20.03 C ATOM 671 C ASN A 43 -0.128 7.103 -12.834 1.00 41.01 C ATOM 672 O ASN A 43 -0.890 8.064 -12.944 1.00 64.13 O ATOM 673 CB ASN A 43 1.051 6.909 -10.636 1.00 50.20 C ATOM 674 CG ASN A 43 0.689 6.854 -9.165 1.00 35.35 C ATOM 675 OD1 ASN A 43 0.051 5.905 -8.706 1.00 43.31 O ATOM 676 ND2 ASN A 43 1.094 7.873 -8.417 1.00 10.34 N ATOM 0 H ASN A 43 1.033 4.533 -11.292 1.00 14.42 H new ATOM 0 HA ASN A 43 -1.001 6.394 -11.017 1.00 20.03 H new ATOM 0 HB2 ASN A 43 1.982 6.366 -10.799 1.00 50.20 H new ATOM 0 HB3 ASN A 43 1.231 7.945 -10.924 1.00 50.20 H new ATOM 0 HD21 ASN A 43 0.879 7.891 -7.420 1.00 10.34 H new ATOM 0 HD22 ASN A 43 1.620 8.638 -8.839 1.00 10.34 H new ATOM 683 N VAL A 44 0.658 6.687 -13.822 1.00 23.43 N ATOM 684 CA VAL A 44 0.670 7.349 -15.120 1.00 63.15 C ATOM 685 C VAL A 44 -0.585 7.017 -15.918 1.00 74.45 C ATOM 686 O VAL A 44 -1.391 7.896 -16.222 1.00 53.21 O ATOM 687 CB VAL A 44 1.909 6.948 -15.943 1.00 42.43 C ATOM 688 CG1 VAL A 44 1.909 7.658 -17.289 1.00 30.12 C ATOM 689 CG2 VAL A 44 3.183 7.254 -15.170 1.00 43.14 C ATOM 0 H VAL A 44 1.295 5.894 -13.748 1.00 23.43 H new ATOM 0 HA VAL A 44 0.702 8.421 -14.928 1.00 63.15 H new ATOM 0 HB VAL A 44 1.871 5.874 -16.126 1.00 42.43 H new ATOM 0 HG11 VAL A 44 2.792 7.362 -17.856 1.00 30.12 H new ATOM 0 HG12 VAL A 44 1.012 7.384 -17.845 1.00 30.12 H new ATOM 0 HG13 VAL A 44 1.923 8.736 -17.131 1.00 30.12 H new ATOM 0 HG21 VAL A 44 4.049 6.965 -15.766 1.00 43.14 H new ATOM 0 HG22 VAL A 44 3.231 8.322 -14.955 1.00 43.14 H new ATOM 0 HG23 VAL A 44 3.184 6.695 -14.234 1.00 43.14 H new ATOM 699 N SER A 45 -0.746 5.741 -16.255 1.00 22.20 N ATOM 700 CA SER A 45 -1.902 5.292 -17.021 1.00 74.21 C ATOM 701 C SER A 45 -3.201 5.729 -16.351 1.00 12.44 C ATOM 702 O SER A 45 -4.221 5.924 -17.013 1.00 33.14 O ATOM 703 CB SER A 45 -1.881 3.770 -17.172 1.00 60.43 C ATOM 704 OG SER A 45 -0.922 3.366 -18.134 1.00 51.15 O ATOM 0 H SER A 45 -0.090 5.000 -16.009 1.00 22.20 H new ATOM 0 HA SER A 45 -1.851 5.749 -18.009 1.00 74.21 H new ATOM 0 HB2 SER A 45 -1.653 3.309 -16.211 1.00 60.43 H new ATOM 0 HB3 SER A 45 -2.869 3.417 -17.468 1.00 60.43 H new ATOM 0 HG SER A 45 -0.927 2.389 -18.211 1.00 51.15 H new ATOM 710 N THR A 46 -3.156 5.883 -15.031 1.00 31.32 N ATOM 711 CA THR A 46 -4.328 6.296 -14.269 1.00 22.11 C ATOM 712 C THR A 46 -4.052 7.575 -13.487 1.00 52.21 C ATOM 713 O THR A 46 -4.373 7.672 -12.303 1.00 42.13 O ATOM 714 CB THR A 46 -4.777 5.196 -13.289 1.00 74.30 C ATOM 715 OG1 THR A 46 -3.866 5.119 -12.187 1.00 14.21 O ATOM 716 CG2 THR A 46 -4.851 3.846 -13.987 1.00 41.23 C ATOM 0 H THR A 46 -2.320 5.728 -14.468 1.00 31.32 H new ATOM 0 HA THR A 46 -5.125 6.478 -14.989 1.00 22.11 H new ATOM 0 HB THR A 46 -5.771 5.452 -12.921 1.00 74.30 H new ATOM 0 HG1 THR A 46 -2.946 5.187 -12.518 1.00 14.21 H new ATOM 0 HG21 THR A 46 -5.170 3.085 -13.275 1.00 41.23 H new ATOM 0 HG22 THR A 46 -5.567 3.899 -14.807 1.00 41.23 H new ATOM 0 HG23 THR A 46 -3.868 3.585 -14.380 1.00 41.23 H new ATOM 851 N THR A 56 -3.669 6.723 1.438 1.00 42.31 N ATOM 852 CA THR A 56 -4.900 6.215 2.030 1.00 42.12 C ATOM 853 C THR A 56 -5.282 4.867 1.430 1.00 35.11 C ATOM 854 O THR A 56 -5.430 4.736 0.214 1.00 25.01 O ATOM 855 CB THR A 56 -6.067 7.201 1.833 1.00 4.34 C ATOM 856 OG1 THR A 56 -6.500 7.181 0.469 1.00 54.41 O ATOM 857 CG2 THR A 56 -5.652 8.613 2.219 1.00 52.44 C ATOM 0 HA THR A 56 -4.712 6.095 3.097 1.00 42.12 H new ATOM 0 HB THR A 56 -6.889 6.892 2.478 1.00 4.34 H new ATOM 0 HG1 THR A 56 -5.987 7.838 -0.047 1.00 54.41 H new ATOM 0 HG21 THR A 56 -6.492 9.292 2.072 1.00 52.44 H new ATOM 0 HG22 THR A 56 -5.351 8.630 3.266 1.00 52.44 H new ATOM 0 HG23 THR A 56 -4.816 8.930 1.596 1.00 52.44 H new ATOM 865 N LEU A 57 -5.443 3.867 2.289 1.00 33.34 N ATOM 866 CA LEU A 57 -5.810 2.527 1.844 1.00 73.10 C ATOM 867 C LEU A 57 -7.046 2.569 0.951 1.00 12.40 C ATOM 868 O LEU A 57 -7.199 1.748 0.046 1.00 12.35 O ATOM 869 CB LEU A 57 -6.069 1.620 3.049 1.00 45.42 C ATOM 870 CG LEU A 57 -4.866 0.826 3.561 1.00 14.32 C ATOM 871 CD1 LEU A 57 -4.911 0.708 5.077 1.00 55.23 C ATOM 872 CD2 LEU A 57 -4.824 -0.552 2.918 1.00 75.11 C ATOM 0 H LEU A 57 -5.325 3.958 3.298 1.00 33.34 H new ATOM 0 HA LEU A 57 -4.979 2.124 1.265 1.00 73.10 H new ATOM 0 HB2 LEU A 57 -6.448 2.234 3.866 1.00 45.42 H new ATOM 0 HB3 LEU A 57 -6.859 0.916 2.786 1.00 45.42 H new ATOM 0 HG LEU A 57 -3.957 1.361 3.285 1.00 14.32 H new ATOM 0 HD11 LEU A 57 -4.048 0.140 5.424 1.00 55.23 H new ATOM 0 HD12 LEU A 57 -4.892 1.704 5.520 1.00 55.23 H new ATOM 0 HD13 LEU A 57 -5.826 0.196 5.375 1.00 55.23 H new ATOM 0 HD21 LEU A 57 -3.962 -1.103 3.294 1.00 75.11 H new ATOM 0 HD22 LEU A 57 -5.737 -1.096 3.163 1.00 75.11 H new ATOM 0 HD23 LEU A 57 -4.744 -0.446 1.836 1.00 75.11 H new ATOM 884 N ASP A 58 -7.924 3.532 1.210 1.00 42.41 N ATOM 885 CA ASP A 58 -9.145 3.684 0.428 1.00 51.54 C ATOM 886 C ASP A 58 -8.822 4.038 -1.021 1.00 11.53 C ATOM 887 O ASP A 58 -9.348 3.427 -1.950 1.00 42.14 O ATOM 888 CB ASP A 58 -10.039 4.763 1.042 1.00 22.21 C ATOM 889 CG ASP A 58 -10.341 4.500 2.504 1.00 12.13 C ATOM 890 OD1 ASP A 58 -10.641 3.338 2.849 1.00 24.50 O ATOM 891 OD2 ASP A 58 -10.278 5.457 3.304 1.00 24.21 O ATOM 0 H ASP A 58 -7.813 4.219 1.956 1.00 42.41 H new ATOM 0 HA ASP A 58 -9.676 2.732 0.441 1.00 51.54 H new ATOM 0 HB2 ASP A 58 -9.553 5.733 0.943 1.00 22.21 H new ATOM 0 HB3 ASP A 58 -10.974 4.817 0.485 1.00 22.21 H new ATOM 896 N GLN A 59 -7.956 5.030 -1.203 1.00 65.51 N ATOM 897 CA GLN A 59 -7.565 5.466 -2.538 1.00 65.45 C ATOM 898 C GLN A 59 -6.764 4.381 -3.253 1.00 14.33 C ATOM 899 O GLN A 59 -7.120 3.955 -4.352 1.00 42.45 O ATOM 900 CB GLN A 59 -6.742 6.753 -2.457 1.00 72.22 C ATOM 901 CG GLN A 59 -7.567 7.981 -2.107 1.00 71.30 C ATOM 902 CD GLN A 59 -8.520 8.380 -3.217 1.00 21.43 C ATOM 903 OE1 GLN A 59 -9.739 8.307 -3.060 1.00 10.43 O ATOM 904 NE2 GLN A 59 -7.968 8.804 -4.347 1.00 63.03 N ATOM 0 H GLN A 59 -7.512 5.546 -0.443 1.00 65.51 H new ATOM 0 HA GLN A 59 -8.473 5.659 -3.110 1.00 65.45 H new ATOM 0 HB2 GLN A 59 -5.958 6.627 -1.710 1.00 72.22 H new ATOM 0 HB3 GLN A 59 -6.247 6.919 -3.414 1.00 72.22 H new ATOM 0 HG2 GLN A 59 -8.136 7.785 -1.198 1.00 71.30 H new ATOM 0 HG3 GLN A 59 -6.898 8.814 -1.891 1.00 71.30 H new ATOM 0 HE21 GLN A 59 -6.953 8.848 -4.433 1.00 63.03 H new ATOM 0 HE22 GLN A 59 -8.559 9.085 -5.129 1.00 63.03 H new ATOM 913 N LEU A 60 -5.683 3.939 -2.621 1.00 63.34 N ATOM 914 CA LEU A 60 -4.831 2.903 -3.197 1.00 1.43 C ATOM 915 C LEU A 60 -5.653 1.683 -3.599 1.00 52.43 C ATOM 916 O LEU A 60 -5.412 1.077 -4.643 1.00 52.23 O ATOM 917 CB LEU A 60 -3.746 2.495 -2.199 1.00 32.25 C ATOM 918 CG LEU A 60 -2.549 1.742 -2.779 1.00 43.24 C ATOM 919 CD1 LEU A 60 -1.306 2.618 -2.757 1.00 4.12 C ATOM 920 CD2 LEU A 60 -2.307 0.450 -2.012 1.00 12.50 C ATOM 0 H LEU A 60 -5.375 4.281 -1.711 1.00 63.34 H new ATOM 0 HA LEU A 60 -4.359 3.310 -4.091 1.00 1.43 H new ATOM 0 HB2 LEU A 60 -3.379 3.394 -1.704 1.00 32.25 H new ATOM 0 HB3 LEU A 60 -4.203 1.872 -1.430 1.00 32.25 H new ATOM 0 HG LEU A 60 -2.772 1.488 -3.815 1.00 43.24 H new ATOM 0 HD11 LEU A 60 -0.464 2.065 -3.174 1.00 4.12 H new ATOM 0 HD12 LEU A 60 -1.482 3.514 -3.352 1.00 4.12 H new ATOM 0 HD13 LEU A 60 -1.080 2.903 -1.730 1.00 4.12 H new ATOM 0 HD21 LEU A 60 -1.451 -0.072 -2.440 1.00 12.50 H new ATOM 0 HD22 LEU A 60 -2.106 0.680 -0.966 1.00 12.50 H new ATOM 0 HD23 LEU A 60 -3.190 -0.185 -2.081 1.00 12.50 H new ATOM 932 N ARG A 61 -6.626 1.330 -2.765 1.00 42.43 N ATOM 933 CA ARG A 61 -7.485 0.183 -3.035 1.00 4.42 C ATOM 934 C ARG A 61 -8.294 0.398 -4.310 1.00 40.24 C ATOM 935 O ARG A 61 -8.371 -0.485 -5.166 1.00 10.13 O ATOM 936 CB ARG A 61 -8.427 -0.063 -1.855 1.00 71.34 C ATOM 937 CG ARG A 61 -9.358 -1.248 -2.057 1.00 51.32 C ATOM 938 CD ARG A 61 -10.777 -0.922 -1.618 1.00 20.24 C ATOM 939 NE ARG A 61 -11.440 -0.006 -2.542 1.00 5.55 N ATOM 940 CZ ARG A 61 -11.942 -0.379 -3.713 1.00 53.21 C ATOM 941 NH1 ARG A 61 -11.859 -1.644 -4.101 1.00 43.23 N ATOM 942 NH2 ARG A 61 -12.531 0.514 -4.499 1.00 3.13 N ATOM 0 H ARG A 61 -6.839 1.822 -1.897 1.00 42.43 H new ATOM 0 HA ARG A 61 -6.849 -0.692 -3.173 1.00 4.42 H new ATOM 0 HB2 ARG A 61 -7.834 -0.227 -0.955 1.00 71.34 H new ATOM 0 HB3 ARG A 61 -9.024 0.833 -1.685 1.00 71.34 H new ATOM 0 HG2 ARG A 61 -9.358 -1.537 -3.108 1.00 51.32 H new ATOM 0 HG3 ARG A 61 -8.988 -2.103 -1.491 1.00 51.32 H new ATOM 0 HD2 ARG A 61 -11.354 -1.844 -1.545 1.00 20.24 H new ATOM 0 HD3 ARG A 61 -10.755 -0.479 -0.622 1.00 20.24 H new ATOM 0 HE ARG A 61 -11.522 0.974 -2.273 1.00 5.55 H new ATOM 0 HH11 ARG A 61 -11.409 -2.334 -3.499 1.00 43.23 H new ATOM 0 HH12 ARG A 61 -12.246 -1.928 -5.001 1.00 43.23 H new ATOM 0 HH21 ARG A 61 -12.598 1.488 -4.203 1.00 3.13 H new ATOM 0 HH22 ARG A 61 -12.916 0.226 -5.399 1.00 3.13 H new ATOM 956 N LEU A 62 -8.896 1.576 -4.431 1.00 53.03 N ATOM 957 CA LEU A 62 -9.701 1.907 -5.602 1.00 42.33 C ATOM 958 C LEU A 62 -8.833 1.990 -6.854 1.00 23.32 C ATOM 959 O LEU A 62 -9.321 1.827 -7.972 1.00 44.44 O ATOM 960 CB LEU A 62 -10.430 3.234 -5.385 1.00 52.35 C ATOM 961 CG LEU A 62 -11.112 3.834 -6.616 1.00 3.53 C ATOM 962 CD1 LEU A 62 -12.266 2.954 -7.069 1.00 50.31 C ATOM 963 CD2 LEU A 62 -11.599 5.246 -6.320 1.00 64.35 C ATOM 0 H LEU A 62 -8.842 2.318 -3.733 1.00 53.03 H new ATOM 0 HA LEU A 62 -10.436 1.114 -5.743 1.00 42.33 H new ATOM 0 HB2 LEU A 62 -11.184 3.089 -4.611 1.00 52.35 H new ATOM 0 HB3 LEU A 62 -9.714 3.960 -5.001 1.00 52.35 H new ATOM 0 HG LEU A 62 -10.382 3.884 -7.424 1.00 3.53 H new ATOM 0 HD11 LEU A 62 -12.739 3.397 -7.946 1.00 50.31 H new ATOM 0 HD12 LEU A 62 -11.890 1.962 -7.321 1.00 50.31 H new ATOM 0 HD13 LEU A 62 -12.998 2.871 -6.265 1.00 50.31 H new ATOM 0 HD21 LEU A 62 -12.082 5.658 -7.206 1.00 64.35 H new ATOM 0 HD22 LEU A 62 -12.313 5.219 -5.497 1.00 64.35 H new ATOM 0 HD23 LEU A 62 -10.751 5.873 -6.044 1.00 64.35 H new ATOM 975 N VAL A 63 -7.542 2.241 -6.657 1.00 53.12 N ATOM 976 CA VAL A 63 -6.605 2.342 -7.769 1.00 61.55 C ATOM 977 C VAL A 63 -6.358 0.978 -8.405 1.00 24.24 C ATOM 978 O VAL A 63 -6.655 0.766 -9.581 1.00 14.54 O ATOM 979 CB VAL A 63 -5.258 2.937 -7.317 1.00 34.44 C ATOM 980 CG1 VAL A 63 -4.284 3.001 -8.483 1.00 1.42 C ATOM 981 CG2 VAL A 63 -5.464 4.314 -6.706 1.00 2.44 C ATOM 0 H VAL A 63 -7.122 2.378 -5.738 1.00 53.12 H new ATOM 0 HA VAL A 63 -7.058 3.006 -8.505 1.00 61.55 H new ATOM 0 HB VAL A 63 -4.830 2.287 -6.554 1.00 34.44 H new ATOM 0 HG11 VAL A 63 -3.338 3.424 -8.144 1.00 1.42 H new ATOM 0 HG12 VAL A 63 -4.114 1.997 -8.871 1.00 1.42 H new ATOM 0 HG13 VAL A 63 -4.701 3.628 -9.271 1.00 1.42 H new ATOM 0 HG21 VAL A 63 -4.503 4.720 -6.392 1.00 2.44 H new ATOM 0 HG22 VAL A 63 -5.914 4.977 -7.445 1.00 2.44 H new ATOM 0 HG23 VAL A 63 -6.124 4.234 -5.842 1.00 2.44 H new ATOM 991 N ILE A 64 -5.812 0.056 -7.619 1.00 22.31 N ATOM 992 CA ILE A 64 -5.526 -1.289 -8.104 1.00 40.43 C ATOM 993 C ILE A 64 -6.764 -1.922 -8.731 1.00 3.41 C ATOM 994 O ILE A 64 -6.676 -2.600 -9.755 1.00 24.10 O ATOM 995 CB ILE A 64 -5.015 -2.199 -6.972 1.00 61.11 C ATOM 996 CG1 ILE A 64 -4.794 -3.621 -7.492 1.00 61.11 C ATOM 997 CG2 ILE A 64 -5.997 -2.201 -5.810 1.00 4.11 C ATOM 998 CD1 ILE A 64 -4.044 -4.509 -6.524 1.00 1.22 C ATOM 0 H ILE A 64 -5.559 0.216 -6.644 1.00 22.31 H new ATOM 0 HA ILE A 64 -4.747 -1.193 -8.861 1.00 40.43 H new ATOM 0 HB ILE A 64 -4.061 -1.810 -6.616 1.00 61.11 H new ATOM 0 HG12 ILE A 64 -5.761 -4.073 -7.712 1.00 61.11 H new ATOM 0 HG13 ILE A 64 -4.243 -3.574 -8.431 1.00 61.11 H new ATOM 0 HG21 ILE A 64 -5.622 -2.849 -5.018 1.00 4.11 H new ATOM 0 HG22 ILE A 64 -6.109 -1.187 -5.427 1.00 4.11 H new ATOM 0 HG23 ILE A 64 -6.964 -2.569 -6.152 1.00 4.11 H new ATOM 0 HD11 ILE A 64 -3.924 -5.501 -6.959 1.00 1.22 H new ATOM 0 HD12 ILE A 64 -3.063 -4.080 -6.322 1.00 1.22 H new ATOM 0 HD13 ILE A 64 -4.604 -4.587 -5.592 1.00 1.22 H new ATOM 1010 N CYS A 65 -7.916 -1.694 -8.111 1.00 10.13 N ATOM 1011 CA CYS A 65 -9.173 -2.241 -8.608 1.00 73.11 C ATOM 1012 C CYS A 65 -9.568 -1.584 -9.927 1.00 33.13 C ATOM 1013 O CYS A 65 -9.810 -2.265 -10.923 1.00 71.43 O ATOM 1014 CB CYS A 65 -10.283 -2.045 -7.574 1.00 72.53 C ATOM 1015 SG CYS A 65 -11.862 -2.797 -8.035 1.00 22.33 S ATOM 0 H CYS A 65 -8.006 -1.134 -7.263 1.00 10.13 H new ATOM 0 HA CYS A 65 -9.033 -3.308 -8.782 1.00 73.11 H new ATOM 0 HB2 CYS A 65 -9.957 -2.465 -6.622 1.00 72.53 H new ATOM 0 HB3 CYS A 65 -10.434 -0.977 -7.416 1.00 72.53 H new ATOM 0 HG CYS A 65 -12.736 -2.580 -7.098 1.00 22.33 H new ATOM 1021 N ASP A 66 -9.633 -0.257 -9.924 1.00 74.32 N ATOM 1022 CA ASP A 66 -10.000 0.492 -11.120 1.00 40.42 C ATOM 1023 C ASP A 66 -9.083 0.137 -12.287 1.00 12.15 C ATOM 1024 O ASP A 66 -9.544 -0.079 -13.408 1.00 65.05 O ATOM 1025 CB ASP A 66 -9.937 1.996 -10.845 1.00 65.40 C ATOM 1026 CG ASP A 66 -10.502 2.817 -11.987 1.00 0.54 C ATOM 1027 OD1 ASP A 66 -11.063 2.219 -12.929 1.00 25.44 O ATOM 1028 OD2 ASP A 66 -10.385 4.060 -11.938 1.00 23.42 O ATOM 0 H ASP A 66 -9.436 0.322 -9.107 1.00 74.32 H new ATOM 0 HA ASP A 66 -11.021 0.222 -11.389 1.00 40.42 H new ATOM 0 HB2 ASP A 66 -10.490 2.219 -9.933 1.00 65.40 H new ATOM 0 HB3 ASP A 66 -8.901 2.287 -10.669 1.00 65.40 H new ATOM 1033 N LEU A 67 -7.784 0.079 -12.015 1.00 12.32 N ATOM 1034 CA LEU A 67 -6.802 -0.249 -13.042 1.00 5.11 C ATOM 1035 C LEU A 67 -6.947 -1.699 -13.491 1.00 72.23 C ATOM 1036 O LEU A 67 -7.163 -1.974 -14.671 1.00 42.04 O ATOM 1037 CB LEU A 67 -5.385 -0.005 -12.517 1.00 75.32 C ATOM 1038 CG LEU A 67 -4.246 -0.510 -13.403 1.00 5.32 C ATOM 1039 CD1 LEU A 67 -3.222 0.591 -13.633 1.00 63.14 C ATOM 1040 CD2 LEU A 67 -3.587 -1.732 -12.780 1.00 4.44 C ATOM 0 H LEU A 67 -7.387 0.255 -11.092 1.00 12.32 H new ATOM 0 HA LEU A 67 -6.981 0.398 -13.901 1.00 5.11 H new ATOM 0 HB2 LEU A 67 -5.254 1.067 -12.367 1.00 75.32 H new ATOM 0 HB3 LEU A 67 -5.295 -0.478 -11.539 1.00 75.32 H new ATOM 0 HG LEU A 67 -4.662 -0.799 -14.368 1.00 5.32 H new ATOM 0 HD11 LEU A 67 -2.418 0.214 -14.266 1.00 63.14 H new ATOM 0 HD12 LEU A 67 -3.702 1.438 -14.123 1.00 63.14 H new ATOM 0 HD13 LEU A 67 -2.810 0.911 -12.676 1.00 63.14 H new ATOM 0 HD21 LEU A 67 -2.779 -2.078 -13.424 1.00 4.44 H new ATOM 0 HD22 LEU A 67 -3.184 -1.469 -11.802 1.00 4.44 H new ATOM 0 HD23 LEU A 67 -4.325 -2.526 -12.667 1.00 4.44 H new ATOM 1052 N GLN A 68 -6.830 -2.622 -12.542 1.00 61.01 N ATOM 1053 CA GLN A 68 -6.950 -4.044 -12.841 1.00 32.11 C ATOM 1054 C GLN A 68 -8.260 -4.340 -13.564 1.00 51.40 C ATOM 1055 O GLN A 68 -8.354 -5.297 -14.331 1.00 23.43 O ATOM 1056 CB GLN A 68 -6.868 -4.866 -11.553 1.00 60.15 C ATOM 1057 CG GLN A 68 -7.199 -6.337 -11.749 1.00 1.15 C ATOM 1058 CD GLN A 68 -7.037 -7.145 -10.476 1.00 62.33 C ATOM 1059 OE1 GLN A 68 -6.766 -6.596 -9.408 1.00 41.32 O ATOM 1060 NE2 GLN A 68 -7.202 -8.458 -10.584 1.00 34.41 N ATOM 0 H GLN A 68 -6.652 -2.411 -11.560 1.00 61.01 H new ATOM 0 HA GLN A 68 -6.124 -4.323 -13.495 1.00 32.11 H new ATOM 0 HB2 GLN A 68 -5.863 -4.780 -11.140 1.00 60.15 H new ATOM 0 HB3 GLN A 68 -7.552 -4.443 -10.817 1.00 60.15 H new ATOM 0 HG2 GLN A 68 -8.224 -6.431 -12.106 1.00 1.15 H new ATOM 0 HG3 GLN A 68 -6.553 -6.751 -12.523 1.00 1.15 H new ATOM 0 HE21 GLN A 68 -7.426 -8.871 -11.489 1.00 34.41 H new ATOM 0 HE22 GLN A 68 -7.105 -9.054 -9.762 1.00 34.41 H new ATOM 1069 N GLU A 69 -9.269 -3.510 -13.314 1.00 24.42 N ATOM 1070 CA GLU A 69 -10.574 -3.685 -13.941 1.00 5.32 C ATOM 1071 C GLU A 69 -10.506 -3.374 -15.433 1.00 41.42 C ATOM 1072 O GLU A 69 -10.766 -4.238 -16.271 1.00 12.34 O ATOM 1073 CB GLU A 69 -11.612 -2.785 -13.268 1.00 1.24 C ATOM 1074 CG GLU A 69 -12.369 -3.467 -12.140 1.00 43.42 C ATOM 1075 CD GLU A 69 -13.574 -4.244 -12.633 1.00 63.21 C ATOM 1076 OE1 GLU A 69 -14.360 -3.682 -13.423 1.00 74.33 O ATOM 1077 OE2 GLU A 69 -13.729 -5.415 -12.228 1.00 73.42 O ATOM 0 H GLU A 69 -9.207 -2.711 -12.683 1.00 24.42 H new ATOM 0 HA GLU A 69 -10.872 -4.726 -13.818 1.00 5.32 H new ATOM 0 HB2 GLU A 69 -11.113 -1.899 -12.876 1.00 1.24 H new ATOM 0 HB3 GLU A 69 -12.325 -2.443 -14.018 1.00 1.24 H new ATOM 0 HG2 GLU A 69 -11.696 -4.143 -11.613 1.00 43.42 H new ATOM 0 HG3 GLU A 69 -12.695 -2.716 -11.420 1.00 43.42 H new ATOM 1084 N ARG A 70 -10.155 -2.133 -15.758 1.00 32.52 N ATOM 1085 CA ARG A 70 -10.055 -1.707 -17.148 1.00 70.03 C ATOM 1086 C ARG A 70 -9.009 -2.529 -17.895 1.00 62.32 C ATOM 1087 O ARG A 70 -9.259 -3.017 -18.997 1.00 75.42 O ATOM 1088 CB ARG A 70 -9.700 -0.221 -17.224 1.00 13.21 C ATOM 1089 CG ARG A 70 -10.853 0.658 -17.682 1.00 22.12 C ATOM 1090 CD ARG A 70 -10.609 2.120 -17.340 1.00 62.52 C ATOM 1091 NE ARG A 70 -11.839 2.804 -16.952 1.00 32.32 N ATOM 1092 CZ ARG A 70 -11.919 4.114 -16.749 1.00 40.13 C ATOM 1093 NH1 ARG A 70 -10.845 4.878 -16.898 1.00 74.32 N ATOM 1094 NH2 ARG A 70 -13.075 4.663 -16.398 1.00 4.23 N ATOM 0 H ARG A 70 -9.935 -1.406 -15.077 1.00 32.52 H new ATOM 0 HA ARG A 70 -11.024 -1.867 -17.621 1.00 70.03 H new ATOM 0 HB2 ARG A 70 -9.366 0.115 -16.242 1.00 13.21 H new ATOM 0 HB3 ARG A 70 -8.861 -0.091 -17.908 1.00 13.21 H new ATOM 0 HG2 ARG A 70 -10.987 0.553 -18.759 1.00 22.12 H new ATOM 0 HG3 ARG A 70 -11.777 0.322 -17.211 1.00 22.12 H new ATOM 0 HD2 ARG A 70 -9.886 2.186 -16.527 1.00 62.52 H new ATOM 0 HD3 ARG A 70 -10.169 2.625 -18.200 1.00 62.52 H new ATOM 0 HE ARG A 70 -12.683 2.245 -16.830 1.00 32.32 H new ATOM 0 HH11 ARG A 70 -9.955 4.460 -17.169 1.00 74.32 H new ATOM 0 HH12 ARG A 70 -10.909 5.884 -16.742 1.00 74.32 H new ATOM 0 HH21 ARG A 70 -13.903 4.079 -16.284 1.00 4.23 H new ATOM 0 HH22 ARG A 70 -13.135 5.669 -16.242 1.00 4.23 H new ATOM 1108 N ARG A 71 -7.836 -2.678 -17.288 1.00 12.44 N ATOM 1109 CA ARG A 71 -6.752 -3.439 -17.896 1.00 4.14 C ATOM 1110 C ARG A 71 -7.209 -4.851 -18.247 1.00 74.41 C ATOM 1111 O ARG A 71 -6.926 -5.353 -19.334 1.00 42.14 O ATOM 1112 CB ARG A 71 -5.551 -3.501 -16.950 1.00 1.03 C ATOM 1113 CG ARG A 71 -4.538 -2.391 -17.178 1.00 22.20 C ATOM 1114 CD ARG A 71 -5.183 -1.018 -17.074 1.00 23.04 C ATOM 1115 NE ARG A 71 -5.461 -0.443 -18.387 1.00 3.42 N ATOM 1116 CZ ARG A 71 -6.113 0.701 -18.565 1.00 72.40 C ATOM 1117 NH1 ARG A 71 -6.552 1.387 -17.519 1.00 52.22 N ATOM 1118 NH2 ARG A 71 -6.327 1.159 -19.792 1.00 14.44 N ATOM 0 H ARG A 71 -7.612 -2.281 -16.375 1.00 12.44 H new ATOM 0 HA ARG A 71 -6.457 -2.932 -18.815 1.00 4.14 H new ATOM 0 HB2 ARG A 71 -5.907 -3.451 -15.921 1.00 1.03 H new ATOM 0 HB3 ARG A 71 -5.055 -4.464 -17.069 1.00 1.03 H new ATOM 0 HG2 ARG A 71 -3.735 -2.473 -16.445 1.00 22.20 H new ATOM 0 HG3 ARG A 71 -4.084 -2.507 -18.162 1.00 22.20 H new ATOM 0 HD2 ARG A 71 -6.112 -1.096 -16.508 1.00 23.04 H new ATOM 0 HD3 ARG A 71 -4.526 -0.350 -16.518 1.00 23.04 H new ATOM 0 HE ARG A 71 -5.137 -0.947 -19.213 1.00 3.42 H new ATOM 0 HH11 ARG A 71 -6.390 1.037 -16.575 1.00 52.22 H new ATOM 0 HH12 ARG A 71 -7.052 2.265 -17.658 1.00 52.22 H new ATOM 0 HH21 ARG A 71 -5.991 0.633 -20.599 1.00 14.44 H new ATOM 0 HH22 ARG A 71 -6.828 2.037 -19.928 1.00 14.44 H new ATOM 1132 N GLU A 72 -7.918 -5.487 -17.319 1.00 0.31 N ATOM 1133 CA GLU A 72 -8.413 -6.842 -17.531 1.00 52.42 C ATOM 1134 C GLU A 72 -9.303 -6.908 -18.769 1.00 14.12 C ATOM 1135 O GLU A 72 -9.130 -7.774 -19.627 1.00 14.31 O ATOM 1136 CB GLU A 72 -9.191 -7.322 -16.304 1.00 65.50 C ATOM 1137 CG GLU A 72 -8.327 -8.038 -15.279 1.00 12.14 C ATOM 1138 CD GLU A 72 -8.094 -9.495 -15.627 1.00 70.11 C ATOM 1139 OE1 GLU A 72 -9.045 -10.295 -15.504 1.00 52.44 O ATOM 1140 OE2 GLU A 72 -6.959 -9.835 -16.023 1.00 34.50 O ATOM 0 H GLU A 72 -8.162 -5.086 -16.414 1.00 0.31 H new ATOM 0 HA GLU A 72 -7.554 -7.495 -17.686 1.00 52.42 H new ATOM 0 HB2 GLU A 72 -9.669 -6.465 -15.829 1.00 65.50 H new ATOM 0 HB3 GLU A 72 -9.987 -7.992 -16.628 1.00 65.50 H new ATOM 0 HG2 GLU A 72 -7.366 -7.529 -15.200 1.00 12.14 H new ATOM 0 HG3 GLU A 72 -8.803 -7.974 -14.300 1.00 12.14 H new ATOM 1147 N LYS A 73 -10.258 -5.987 -18.854 1.00 25.11 N ATOM 1148 CA LYS A 73 -11.176 -5.938 -19.986 1.00 22.45 C ATOM 1149 C LYS A 73 -10.412 -5.833 -21.302 1.00 12.43 C ATOM 1150 O LYS A 73 -10.816 -6.407 -22.313 1.00 22.30 O ATOM 1151 CB LYS A 73 -12.132 -4.753 -19.842 1.00 13.51 C ATOM 1152 CG LYS A 73 -13.592 -5.158 -19.730 1.00 23.42 C ATOM 1153 CD LYS A 73 -14.486 -3.957 -19.474 1.00 35.21 C ATOM 1154 CE LYS A 73 -14.864 -3.847 -18.005 1.00 13.43 C ATOM 1155 NZ LYS A 73 -13.706 -3.437 -17.163 1.00 61.43 N ATOM 0 H LYS A 73 -10.416 -5.264 -18.152 1.00 25.11 H new ATOM 0 HA LYS A 73 -11.753 -6.863 -19.995 1.00 22.45 H new ATOM 0 HB2 LYS A 73 -11.854 -4.179 -18.958 1.00 13.51 H new ATOM 0 HB3 LYS A 73 -12.012 -4.094 -20.702 1.00 13.51 H new ATOM 0 HG2 LYS A 73 -13.904 -5.656 -20.648 1.00 23.42 H new ATOM 0 HG3 LYS A 73 -13.709 -5.879 -18.921 1.00 23.42 H new ATOM 0 HD2 LYS A 73 -13.974 -3.047 -19.788 1.00 35.21 H new ATOM 0 HD3 LYS A 73 -15.390 -4.039 -20.078 1.00 35.21 H new ATOM 0 HE2 LYS A 73 -15.670 -3.123 -17.891 1.00 13.43 H new ATOM 0 HE3 LYS A 73 -15.245 -4.806 -17.655 1.00 13.43 H new ATOM 0 HZ1 LYS A 73 -14.038 -3.209 -16.204 1.00 61.43 H new ATOM 0 HZ2 LYS A 73 -13.018 -4.216 -17.116 1.00 61.43 H new ATOM 0 HZ3 LYS A 73 -13.253 -2.599 -17.580 1.00 61.43 H new ATOM 1169 N PHE A 74 -9.306 -5.096 -21.281 1.00 54.24 N ATOM 1170 CA PHE A 74 -8.486 -4.915 -22.473 1.00 61.44 C ATOM 1171 C PHE A 74 -7.628 -6.150 -22.735 1.00 4.33 C ATOM 1172 O PHE A 74 -7.246 -6.424 -23.871 1.00 64.44 O ATOM 1173 CB PHE A 74 -7.593 -3.682 -22.322 1.00 31.20 C ATOM 1174 CG PHE A 74 -8.137 -2.460 -23.005 1.00 74.43 C ATOM 1175 CD1 PHE A 74 -9.217 -1.776 -22.472 1.00 55.43 C ATOM 1176 CD2 PHE A 74 -7.569 -1.997 -24.181 1.00 73.22 C ATOM 1177 CE1 PHE A 74 -9.721 -0.651 -23.098 1.00 43.34 C ATOM 1178 CE2 PHE A 74 -8.068 -0.873 -24.811 1.00 41.34 C ATOM 1179 CZ PHE A 74 -9.146 -0.199 -24.270 1.00 64.41 C ATOM 0 H PHE A 74 -8.957 -4.615 -20.452 1.00 54.24 H new ATOM 0 HA PHE A 74 -9.152 -4.770 -23.323 1.00 61.44 H new ATOM 0 HB2 PHE A 74 -7.461 -3.467 -21.262 1.00 31.20 H new ATOM 0 HB3 PHE A 74 -6.606 -3.906 -22.728 1.00 31.20 H new ATOM 0 HD1 PHE A 74 -9.671 -2.126 -21.556 1.00 55.43 H new ATOM 0 HD2 PHE A 74 -6.727 -2.520 -24.610 1.00 73.22 H new ATOM 0 HE1 PHE A 74 -10.563 -0.126 -22.671 1.00 43.34 H new ATOM 0 HE2 PHE A 74 -7.615 -0.521 -25.726 1.00 41.34 H new ATOM 0 HZ PHE A 74 -9.538 0.679 -24.762 1.00 64.41 H new ATOM 1189 N GLY A 75 -7.328 -6.891 -21.672 1.00 44.50 N ATOM 1190 CA GLY A 75 -6.516 -8.086 -21.806 1.00 71.14 C ATOM 1191 C GLY A 75 -5.641 -8.333 -20.593 1.00 54.53 C ATOM 1192 O GLY A 75 -5.811 -7.691 -19.556 1.00 74.34 O ATOM 0 H GLY A 75 -7.633 -6.685 -20.721 1.00 44.50 H new ATOM 0 HA2 GLY A 75 -7.166 -8.947 -21.963 1.00 71.14 H new ATOM 0 HA3 GLY A 75 -5.887 -7.996 -22.692 1.00 71.14 H new ATOM 1196 N SER A 76 -4.703 -9.265 -20.722 1.00 33.44 N ATOM 1197 CA SER A 76 -3.802 -9.599 -19.625 1.00 20.10 C ATOM 1198 C SER A 76 -2.346 -9.486 -20.065 1.00 64.33 C ATOM 1199 O SER A 76 -2.033 -9.605 -21.250 1.00 2.40 O ATOM 1200 CB SER A 76 -4.085 -11.014 -19.117 1.00 21.21 C ATOM 1201 OG SER A 76 -4.626 -11.826 -20.144 1.00 72.34 O ATOM 0 H SER A 76 -4.547 -9.802 -21.575 1.00 33.44 H new ATOM 0 HA SER A 76 -3.975 -8.889 -18.816 1.00 20.10 H new ATOM 0 HB2 SER A 76 -3.164 -11.461 -18.743 1.00 21.21 H new ATOM 0 HB3 SER A 76 -4.781 -10.971 -18.279 1.00 21.21 H new ATOM 0 HG SER A 76 -4.796 -12.726 -19.794 1.00 72.34 H new ATOM 1207 N SER A 77 -1.459 -9.257 -19.102 1.00 41.32 N ATOM 1208 CA SER A 77 -0.035 -9.124 -19.389 1.00 54.35 C ATOM 1209 C SER A 77 0.783 -9.140 -18.102 1.00 15.33 C ATOM 1210 O SER A 77 0.333 -8.661 -17.060 1.00 73.42 O ATOM 1211 CB SER A 77 0.232 -7.830 -20.161 1.00 1.11 C ATOM 1212 OG SER A 77 0.509 -6.757 -19.277 1.00 75.12 O ATOM 0 H SER A 77 -1.701 -9.160 -18.116 1.00 41.32 H new ATOM 0 HA SER A 77 0.268 -9.973 -20.001 1.00 54.35 H new ATOM 0 HB2 SER A 77 1.074 -7.974 -20.838 1.00 1.11 H new ATOM 0 HB3 SER A 77 -0.634 -7.584 -20.776 1.00 1.11 H new ATOM 0 HG SER A 77 0.678 -5.942 -19.794 1.00 75.12 H new ATOM 1218 N LYS A 78 1.988 -9.694 -18.181 1.00 14.24 N ATOM 1219 CA LYS A 78 2.871 -9.773 -17.024 1.00 3.55 C ATOM 1220 C LYS A 78 3.040 -8.403 -16.373 1.00 71.05 C ATOM 1221 O LYS A 78 3.162 -8.296 -15.154 1.00 35.33 O ATOM 1222 CB LYS A 78 4.238 -10.325 -17.436 1.00 54.31 C ATOM 1223 CG LYS A 78 4.358 -11.831 -17.278 1.00 41.50 C ATOM 1224 CD LYS A 78 5.395 -12.410 -18.225 1.00 44.54 C ATOM 1225 CE LYS A 78 5.160 -13.892 -18.471 1.00 24.13 C ATOM 1226 NZ LYS A 78 4.166 -14.124 -19.555 1.00 23.21 N ATOM 0 H LYS A 78 2.375 -10.095 -19.035 1.00 14.24 H new ATOM 0 HA LYS A 78 2.417 -10.447 -16.298 1.00 3.55 H new ATOM 0 HB2 LYS A 78 4.429 -10.061 -18.476 1.00 54.31 H new ATOM 0 HB3 LYS A 78 5.011 -9.842 -16.838 1.00 54.31 H new ATOM 0 HG2 LYS A 78 4.630 -12.069 -16.250 1.00 41.50 H new ATOM 0 HG3 LYS A 78 3.391 -12.296 -17.468 1.00 41.50 H new ATOM 0 HD2 LYS A 78 5.363 -11.873 -19.173 1.00 44.54 H new ATOM 0 HD3 LYS A 78 6.392 -12.263 -17.809 1.00 44.54 H new ATOM 0 HE2 LYS A 78 6.103 -14.370 -18.735 1.00 24.13 H new ATOM 0 HE3 LYS A 78 4.811 -14.362 -17.552 1.00 24.13 H new ATOM 0 HZ1 LYS A 78 4.034 -15.146 -19.692 1.00 23.21 H new ATOM 0 HZ2 LYS A 78 3.258 -13.690 -19.292 1.00 23.21 H new ATOM 0 HZ3 LYS A 78 4.511 -13.698 -20.439 1.00 23.21 H new ATOM 1240 N GLU A 79 3.045 -7.359 -17.196 1.00 52.23 N ATOM 1241 CA GLU A 79 3.198 -5.996 -16.700 1.00 32.45 C ATOM 1242 C GLU A 79 2.041 -5.620 -15.778 1.00 22.32 C ATOM 1243 O GLU A 79 2.253 -5.159 -14.656 1.00 32.43 O ATOM 1244 CB GLU A 79 3.276 -5.010 -17.867 1.00 33.13 C ATOM 1245 CG GLU A 79 4.592 -5.065 -18.623 1.00 62.13 C ATOM 1246 CD GLU A 79 4.766 -3.900 -19.578 1.00 54.11 C ATOM 1247 OE1 GLU A 79 3.772 -3.186 -19.829 1.00 33.24 O ATOM 1248 OE2 GLU A 79 5.894 -3.702 -20.075 1.00 11.13 O ATOM 0 H GLU A 79 2.945 -7.431 -18.209 1.00 52.23 H new ATOM 0 HA GLU A 79 4.126 -5.946 -16.130 1.00 32.45 H new ATOM 0 HB2 GLU A 79 2.460 -5.215 -18.560 1.00 33.13 H new ATOM 0 HB3 GLU A 79 3.126 -3.999 -17.488 1.00 33.13 H new ATOM 0 HG2 GLU A 79 5.416 -5.071 -17.910 1.00 62.13 H new ATOM 0 HG3 GLU A 79 4.647 -5.999 -19.182 1.00 62.13 H new ATOM 1255 N ILE A 80 0.819 -5.820 -16.260 1.00 3.20 N ATOM 1256 CA ILE A 80 -0.370 -5.502 -15.480 1.00 34.40 C ATOM 1257 C ILE A 80 -0.489 -6.414 -14.263 1.00 52.41 C ATOM 1258 O ILE A 80 -0.653 -5.944 -13.137 1.00 25.13 O ATOM 1259 CB ILE A 80 -1.650 -5.628 -16.328 1.00 42.02 C ATOM 1260 CG1 ILE A 80 -1.545 -4.756 -17.581 1.00 1.21 C ATOM 1261 CG2 ILE A 80 -2.870 -5.240 -15.507 1.00 31.13 C ATOM 1262 CD1 ILE A 80 -2.682 -4.961 -18.557 1.00 15.43 C ATOM 0 H ILE A 80 0.627 -6.201 -17.187 1.00 3.20 H new ATOM 0 HA ILE A 80 -0.263 -4.469 -15.149 1.00 34.40 H new ATOM 0 HB ILE A 80 -1.761 -6.667 -16.639 1.00 42.02 H new ATOM 0 HG12 ILE A 80 -1.517 -3.708 -17.283 1.00 1.21 H new ATOM 0 HG13 ILE A 80 -0.602 -4.969 -18.084 1.00 1.21 H new ATOM 0 HG21 ILE A 80 -3.766 -5.334 -16.120 1.00 31.13 H new ATOM 0 HG22 ILE A 80 -2.951 -5.899 -14.642 1.00 31.13 H new ATOM 0 HG23 ILE A 80 -2.768 -4.209 -15.169 1.00 31.13 H new ATOM 0 HD11 ILE A 80 -2.542 -4.311 -19.421 1.00 15.43 H new ATOM 0 HD12 ILE A 80 -2.698 -6.001 -18.884 1.00 15.43 H new ATOM 0 HD13 ILE A 80 -3.627 -4.719 -18.071 1.00 15.43 H new ATOM 1274 N ASP A 81 -0.404 -7.718 -14.498 1.00 35.44 N ATOM 1275 CA ASP A 81 -0.499 -8.697 -13.420 1.00 54.42 C ATOM 1276 C ASP A 81 0.478 -8.364 -12.297 1.00 34.23 C ATOM 1277 O ASP A 81 0.168 -8.543 -11.119 1.00 43.11 O ATOM 1278 CB ASP A 81 -0.223 -10.103 -13.954 1.00 20.13 C ATOM 1279 CG ASP A 81 -0.807 -11.184 -13.066 1.00 24.34 C ATOM 1280 OD1 ASP A 81 -1.191 -10.868 -11.920 1.00 71.30 O ATOM 1281 OD2 ASP A 81 -0.880 -12.346 -13.516 1.00 62.45 O ATOM 0 H ASP A 81 -0.270 -8.123 -15.425 1.00 35.44 H new ATOM 0 HA ASP A 81 -1.512 -8.662 -13.018 1.00 54.42 H new ATOM 0 HB2 ASP A 81 -0.640 -10.196 -14.957 1.00 20.13 H new ATOM 0 HB3 ASP A 81 0.853 -10.251 -14.041 1.00 20.13 H new ATOM 1286 N MET A 82 1.658 -7.881 -12.670 1.00 0.13 N ATOM 1287 CA MET A 82 2.680 -7.524 -11.693 1.00 2.41 C ATOM 1288 C MET A 82 2.252 -6.307 -10.878 1.00 61.21 C ATOM 1289 O MET A 82 2.373 -6.295 -9.654 1.00 3.04 O ATOM 1290 CB MET A 82 4.010 -7.240 -12.395 1.00 14.42 C ATOM 1291 CG MET A 82 4.904 -8.462 -12.521 1.00 74.51 C ATOM 1292 SD MET A 82 6.462 -8.279 -11.632 1.00 54.34 S ATOM 1293 CE MET A 82 7.484 -7.523 -12.894 1.00 61.53 C ATOM 0 H MET A 82 1.930 -7.728 -13.641 1.00 0.13 H new ATOM 0 HA MET A 82 2.808 -8.367 -11.014 1.00 2.41 H new ATOM 0 HB2 MET A 82 3.809 -6.843 -13.390 1.00 14.42 H new ATOM 0 HB3 MET A 82 4.544 -6.465 -11.845 1.00 14.42 H new ATOM 0 HG2 MET A 82 4.374 -9.335 -12.141 1.00 74.51 H new ATOM 0 HG3 MET A 82 5.111 -8.648 -13.575 1.00 74.51 H new ATOM 0 HE1 MET A 82 8.483 -7.346 -12.496 1.00 61.53 H new ATOM 0 HE2 MET A 82 7.549 -8.187 -13.756 1.00 61.53 H new ATOM 0 HE3 MET A 82 7.043 -6.574 -13.200 1.00 61.53 H new ATOM 1303 N ALA A 83 1.751 -5.286 -11.566 1.00 25.11 N ATOM 1304 CA ALA A 83 1.304 -4.066 -10.905 1.00 61.33 C ATOM 1305 C ALA A 83 0.256 -4.371 -9.840 1.00 64.41 C ATOM 1306 O ALA A 83 0.200 -3.708 -8.804 1.00 54.13 O ATOM 1307 CB ALA A 83 0.750 -3.085 -11.928 1.00 32.32 C ATOM 0 H ALA A 83 1.645 -5.280 -12.580 1.00 25.11 H new ATOM 0 HA ALA A 83 2.164 -3.613 -10.412 1.00 61.33 H new ATOM 0 HB1 ALA A 83 0.420 -2.178 -11.421 1.00 32.32 H new ATOM 0 HB2 ALA A 83 1.527 -2.834 -12.650 1.00 32.32 H new ATOM 0 HB3 ALA A 83 -0.094 -3.539 -12.447 1.00 32.32 H new ATOM 1313 N ILE A 84 -0.571 -5.378 -10.102 1.00 2.34 N ATOM 1314 CA ILE A 84 -1.616 -5.770 -9.165 1.00 30.05 C ATOM 1315 C ILE A 84 -1.023 -6.436 -7.927 1.00 54.41 C ATOM 1316 O ILE A 84 -1.227 -5.975 -6.804 1.00 21.24 O ATOM 1317 CB ILE A 84 -2.625 -6.733 -9.818 1.00 14.54 C ATOM 1318 CG1 ILE A 84 -3.244 -6.091 -11.062 1.00 3.05 C ATOM 1319 CG2 ILE A 84 -3.708 -7.121 -8.822 1.00 1.44 C ATOM 1320 CD1 ILE A 84 -4.016 -7.065 -11.924 1.00 24.14 C ATOM 0 H ILE A 84 -0.537 -5.937 -10.955 1.00 2.34 H new ATOM 0 HA ILE A 84 -2.135 -4.858 -8.871 1.00 30.05 H new ATOM 0 HB ILE A 84 -2.097 -7.637 -10.122 1.00 14.54 H new ATOM 0 HG12 ILE A 84 -3.910 -5.286 -10.752 1.00 3.05 H new ATOM 0 HG13 ILE A 84 -2.453 -5.638 -11.659 1.00 3.05 H new ATOM 0 HG21 ILE A 84 -4.413 -7.802 -9.298 1.00 1.44 H new ATOM 0 HG22 ILE A 84 -3.253 -7.613 -7.963 1.00 1.44 H new ATOM 0 HG23 ILE A 84 -4.235 -6.226 -8.490 1.00 1.44 H new ATOM 0 HD11 ILE A 84 -4.426 -6.541 -12.787 1.00 24.14 H new ATOM 0 HD12 ILE A 84 -3.349 -7.857 -12.264 1.00 24.14 H new ATOM 0 HD13 ILE A 84 -4.829 -7.500 -11.343 1.00 24.14 H new ATOM 1332 N VAL A 85 -0.287 -7.522 -8.141 1.00 53.41 N ATOM 1333 CA VAL A 85 0.338 -8.250 -7.044 1.00 2.33 C ATOM 1334 C VAL A 85 1.265 -7.344 -6.241 1.00 11.32 C ATOM 1335 O VAL A 85 1.341 -7.443 -5.016 1.00 22.14 O ATOM 1336 CB VAL A 85 1.140 -9.460 -7.558 1.00 43.20 C ATOM 1337 CG1 VAL A 85 0.207 -10.513 -8.135 1.00 32.35 C ATOM 1338 CG2 VAL A 85 2.164 -9.019 -8.593 1.00 40.22 C ATOM 0 H VAL A 85 -0.109 -7.917 -9.065 1.00 53.41 H new ATOM 0 HA VAL A 85 -0.467 -8.604 -6.400 1.00 2.33 H new ATOM 0 HB VAL A 85 1.674 -9.904 -6.718 1.00 43.20 H new ATOM 0 HG11 VAL A 85 0.792 -11.360 -8.493 1.00 32.35 H new ATOM 0 HG12 VAL A 85 -0.484 -10.850 -7.362 1.00 32.35 H new ATOM 0 HG13 VAL A 85 -0.357 -10.085 -8.964 1.00 32.35 H new ATOM 0 HG21 VAL A 85 2.722 -9.887 -8.946 1.00 40.22 H new ATOM 0 HG22 VAL A 85 1.653 -8.550 -9.434 1.00 40.22 H new ATOM 0 HG23 VAL A 85 2.852 -8.304 -8.142 1.00 40.22 H new ATOM 1348 N THR A 86 1.969 -6.458 -6.939 1.00 61.31 N ATOM 1349 CA THR A 86 2.892 -5.534 -6.292 1.00 71.31 C ATOM 1350 C THR A 86 2.160 -4.619 -5.317 1.00 22.21 C ATOM 1351 O THR A 86 2.539 -4.508 -4.150 1.00 62.21 O ATOM 1352 CB THR A 86 3.640 -4.671 -7.326 1.00 34.13 C ATOM 1353 OG1 THR A 86 2.709 -4.103 -8.255 1.00 24.35 O ATOM 1354 CG2 THR A 86 4.672 -5.499 -8.076 1.00 42.42 C ATOM 0 H THR A 86 1.917 -6.361 -7.953 1.00 61.31 H new ATOM 0 HA THR A 86 3.614 -6.140 -5.745 1.00 71.31 H new ATOM 0 HB THR A 86 4.156 -3.871 -6.795 1.00 34.13 H new ATOM 0 HG1 THR A 86 2.498 -4.761 -8.950 1.00 24.35 H new ATOM 0 HG21 THR A 86 5.187 -4.869 -8.801 1.00 42.42 H new ATOM 0 HG22 THR A 86 5.395 -5.906 -7.369 1.00 42.42 H new ATOM 0 HG23 THR A 86 4.174 -6.317 -8.596 1.00 42.42 H new ATOM 1362 N LEU A 87 1.110 -3.966 -5.801 1.00 12.21 N ATOM 1363 CA LEU A 87 0.323 -3.060 -4.971 1.00 3.21 C ATOM 1364 C LEU A 87 -0.225 -3.782 -3.744 1.00 62.44 C ATOM 1365 O LEU A 87 -0.329 -3.202 -2.663 1.00 62.54 O ATOM 1366 CB LEU A 87 -0.828 -2.463 -5.782 1.00 71.12 C ATOM 1367 CG LEU A 87 -0.447 -1.380 -6.792 1.00 62.22 C ATOM 1368 CD1 LEU A 87 -1.679 -0.883 -7.533 1.00 22.53 C ATOM 1369 CD2 LEU A 87 0.260 -0.227 -6.096 1.00 4.31 C ATOM 0 H LEU A 87 0.783 -4.047 -6.764 1.00 12.21 H new ATOM 0 HA LEU A 87 0.977 -2.256 -4.634 1.00 3.21 H new ATOM 0 HB2 LEU A 87 -1.326 -3.271 -6.317 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -1.556 -2.044 -5.088 1.00 71.12 H new ATOM 0 HG LEU A 87 0.238 -1.814 -7.520 1.00 62.22 H new ATOM 0 HD11 LEU A 87 -1.388 -0.113 -8.247 1.00 22.53 H new ATOM 0 HD12 LEU A 87 -2.144 -1.714 -8.064 1.00 22.53 H new ATOM 0 HD13 LEU A 87 -2.389 -0.466 -6.819 1.00 22.53 H new ATOM 0 HD21 LEU A 87 0.524 0.534 -6.830 1.00 4.31 H new ATOM 0 HD22 LEU A 87 -0.402 0.206 -5.346 1.00 4.31 H new ATOM 0 HD23 LEU A 87 1.165 -0.594 -5.613 1.00 4.31 H new ATOM 1381 N LYS A 88 -0.572 -5.053 -3.919 1.00 13.11 N ATOM 1382 CA LYS A 88 -1.106 -5.857 -2.827 1.00 35.55 C ATOM 1383 C LYS A 88 -0.012 -6.209 -1.824 1.00 1.21 C ATOM 1384 O LYS A 88 -0.061 -5.795 -0.665 1.00 73.24 O ATOM 1385 CB LYS A 88 -1.743 -7.138 -3.373 1.00 2.35 C ATOM 1386 CG LYS A 88 -3.256 -7.066 -3.482 1.00 30.13 C ATOM 1387 CD LYS A 88 -3.743 -7.579 -4.826 1.00 60.34 C ATOM 1388 CE LYS A 88 -5.254 -7.465 -4.953 1.00 14.33 C ATOM 1389 NZ LYS A 88 -5.750 -8.046 -6.231 1.00 42.53 N ATOM 0 H LYS A 88 -0.493 -5.548 -4.807 1.00 13.11 H new ATOM 0 HA LYS A 88 -1.868 -5.269 -2.315 1.00 35.55 H new ATOM 0 HB2 LYS A 88 -1.326 -7.350 -4.357 1.00 2.35 H new ATOM 0 HB3 LYS A 88 -1.473 -7.972 -2.726 1.00 2.35 H new ATOM 0 HG2 LYS A 88 -3.708 -7.653 -2.682 1.00 30.13 H new ATOM 0 HG3 LYS A 88 -3.583 -6.035 -3.345 1.00 30.13 H new ATOM 0 HD2 LYS A 88 -3.266 -7.014 -5.627 1.00 60.34 H new ATOM 0 HD3 LYS A 88 -3.444 -8.620 -4.949 1.00 60.34 H new ATOM 0 HE2 LYS A 88 -5.728 -7.975 -4.114 1.00 14.33 H new ATOM 0 HE3 LYS A 88 -5.545 -6.416 -4.894 1.00 14.33 H new ATOM 0 HZ1 LYS A 88 -6.221 -7.306 -6.789 1.00 42.53 H new ATOM 0 HZ2 LYS A 88 -4.949 -8.430 -6.772 1.00 42.53 H new ATOM 0 HZ3 LYS A 88 -6.427 -8.809 -6.026 1.00 42.53 H new ATOM 1403 N VAL A 89 0.976 -6.973 -2.277 1.00 64.52 N ATOM 1404 CA VAL A 89 2.085 -7.378 -1.420 1.00 74.15 C ATOM 1405 C VAL A 89 2.719 -6.172 -0.736 1.00 71.43 C ATOM 1406 O VAL A 89 3.075 -6.229 0.441 1.00 70.11 O ATOM 1407 CB VAL A 89 3.166 -8.129 -2.219 1.00 63.22 C ATOM 1408 CG1 VAL A 89 4.237 -8.674 -1.286 1.00 61.35 C ATOM 1409 CG2 VAL A 89 2.542 -9.248 -3.039 1.00 71.21 C ATOM 0 H VAL A 89 1.032 -7.325 -3.233 1.00 64.52 H new ATOM 0 HA VAL A 89 1.674 -8.046 -0.664 1.00 74.15 H new ATOM 0 HB VAL A 89 3.639 -7.427 -2.906 1.00 63.22 H new ATOM 0 HG11 VAL A 89 4.992 -9.202 -1.868 1.00 61.35 H new ATOM 0 HG12 VAL A 89 4.704 -7.850 -0.747 1.00 61.35 H new ATOM 0 HG13 VAL A 89 3.783 -9.362 -0.573 1.00 61.35 H new ATOM 0 HG21 VAL A 89 3.321 -9.768 -3.597 1.00 71.21 H new ATOM 0 HG22 VAL A 89 2.042 -9.951 -2.373 1.00 71.21 H new ATOM 0 HG23 VAL A 89 1.816 -8.828 -3.735 1.00 71.21 H new ATOM 1419 N PHE A 90 2.857 -5.081 -1.482 1.00 0.13 N ATOM 1420 CA PHE A 90 3.449 -3.860 -0.947 1.00 62.14 C ATOM 1421 C PHE A 90 2.537 -3.225 0.098 1.00 33.40 C ATOM 1422 O PHE A 90 3.005 -2.667 1.089 1.00 3.23 O ATOM 1423 CB PHE A 90 3.721 -2.863 -2.076 1.00 71.41 C ATOM 1424 CG PHE A 90 4.125 -1.501 -1.589 1.00 35.23 C ATOM 1425 CD1 PHE A 90 5.080 -1.362 -0.595 1.00 13.53 C ATOM 1426 CD2 PHE A 90 3.549 -0.361 -2.125 1.00 2.51 C ATOM 1427 CE1 PHE A 90 5.452 -0.109 -0.144 1.00 21.20 C ATOM 1428 CE2 PHE A 90 3.918 0.895 -1.678 1.00 60.54 C ATOM 1429 CZ PHE A 90 4.872 1.020 -0.687 1.00 54.23 C ATOM 0 H PHE A 90 2.567 -5.017 -2.458 1.00 0.13 H new ATOM 0 HA PHE A 90 4.392 -4.123 -0.468 1.00 62.14 H new ATOM 0 HB2 PHE A 90 4.508 -3.259 -2.718 1.00 71.41 H new ATOM 0 HB3 PHE A 90 2.826 -2.769 -2.691 1.00 71.41 H new ATOM 0 HD1 PHE A 90 5.539 -2.242 -0.168 1.00 13.53 H new ATOM 0 HD2 PHE A 90 2.803 -0.454 -2.901 1.00 2.51 H new ATOM 0 HE1 PHE A 90 6.196 -0.014 0.633 1.00 21.20 H new ATOM 0 HE2 PHE A 90 3.461 1.776 -2.103 1.00 60.54 H new ATOM 0 HZ PHE A 90 5.164 1.999 -0.337 1.00 54.23 H new ATOM 1439 N ALA A 91 1.231 -3.316 -0.132 1.00 51.41 N ATOM 1440 CA ALA A 91 0.252 -2.752 0.789 1.00 21.13 C ATOM 1441 C ALA A 91 0.286 -3.471 2.133 1.00 32.55 C ATOM 1442 O ALA A 91 0.315 -2.837 3.188 1.00 14.01 O ATOM 1443 CB ALA A 91 -1.143 -2.823 0.186 1.00 42.44 C ATOM 0 H ALA A 91 0.827 -3.775 -0.948 1.00 51.41 H new ATOM 0 HA ALA A 91 0.510 -1.706 0.958 1.00 21.13 H new ATOM 0 HB1 ALA A 91 -1.864 -2.398 0.885 1.00 42.44 H new ATOM 0 HB2 ALA A 91 -1.166 -2.259 -0.746 1.00 42.44 H new ATOM 0 HB3 ALA A 91 -1.401 -3.863 -0.013 1.00 42.44 H new ATOM 1449 N VAL A 92 0.281 -4.800 2.089 1.00 63.02 N ATOM 1450 CA VAL A 92 0.312 -5.606 3.303 1.00 12.14 C ATOM 1451 C VAL A 92 1.705 -5.614 3.923 1.00 71.34 C ATOM 1452 O VAL A 92 1.886 -5.220 5.074 1.00 13.12 O ATOM 1453 CB VAL A 92 -0.123 -7.057 3.025 1.00 31.12 C ATOM 1454 CG1 VAL A 92 -0.272 -7.829 4.327 1.00 24.23 C ATOM 1455 CG2 VAL A 92 -1.420 -7.081 2.231 1.00 71.13 C ATOM 0 H VAL A 92 0.256 -5.341 1.225 1.00 63.02 H new ATOM 0 HA VAL A 92 -0.390 -5.152 4.002 1.00 12.14 H new ATOM 0 HB VAL A 92 0.651 -7.542 2.429 1.00 31.12 H new ATOM 0 HG11 VAL A 92 -0.580 -8.852 4.110 1.00 24.23 H new ATOM 0 HG12 VAL A 92 0.682 -7.841 4.854 1.00 24.23 H new ATOM 0 HG13 VAL A 92 -1.025 -7.348 4.951 1.00 24.23 H new ATOM 0 HG21 VAL A 92 -1.713 -8.114 2.043 1.00 71.13 H new ATOM 0 HG22 VAL A 92 -2.204 -6.579 2.799 1.00 71.13 H new ATOM 0 HG23 VAL A 92 -1.275 -6.567 1.281 1.00 71.13 H new ATOM 1465 N ALA A 93 2.687 -6.066 3.150 1.00 62.12 N ATOM 1466 CA ALA A 93 4.065 -6.123 3.621 1.00 22.53 C ATOM 1467 C ALA A 93 4.582 -4.734 3.978 1.00 53.20 C ATOM 1468 O ALA A 93 5.579 -4.594 4.684 1.00 23.02 O ATOM 1469 CB ALA A 93 4.957 -6.766 2.569 1.00 53.00 C ATOM 0 H ALA A 93 2.554 -6.398 2.195 1.00 62.12 H new ATOM 0 HA ALA A 93 4.088 -6.733 4.524 1.00 22.53 H new ATOM 0 HB1 ALA A 93 5.983 -6.802 2.935 1.00 53.00 H new ATOM 0 HB2 ALA A 93 4.609 -7.779 2.366 1.00 53.00 H new ATOM 0 HB3 ALA A 93 4.919 -6.179 1.652 1.00 53.00 H new ATOM 1475 N GLY A 94 3.896 -3.707 3.484 1.00 72.41 N ATOM 1476 CA GLY A 94 4.301 -2.342 3.761 1.00 44.11 C ATOM 1477 C GLY A 94 3.467 -1.699 4.851 1.00 51.01 C ATOM 1478 O GLY A 94 3.942 -1.496 5.969 1.00 44.41 O ATOM 0 H GLY A 94 3.067 -3.797 2.897 1.00 72.41 H new ATOM 0 HA2 GLY A 94 5.350 -2.331 4.056 1.00 44.11 H new ATOM 0 HA3 GLY A 94 4.220 -1.750 2.849 1.00 44.11 H new ATOM 1482 N LEU A 95 2.220 -1.376 4.526 1.00 31.32 N ATOM 1483 CA LEU A 95 1.317 -0.751 5.486 1.00 11.40 C ATOM 1484 C LEU A 95 1.151 -1.623 6.726 1.00 35.10 C ATOM 1485 O LEU A 95 1.179 -1.129 7.854 1.00 23.52 O ATOM 1486 CB LEU A 95 -0.047 -0.495 4.842 1.00 63.14 C ATOM 1487 CG LEU A 95 -0.023 0.114 3.439 1.00 22.41 C ATOM 1488 CD1 LEU A 95 -1.438 0.370 2.944 1.00 22.41 C ATOM 1489 CD2 LEU A 95 0.788 1.401 3.430 1.00 4.13 C ATOM 0 H LEU A 95 1.811 -1.537 3.605 1.00 31.32 H new ATOM 0 HA LEU A 95 1.753 0.201 5.790 1.00 11.40 H new ATOM 0 HB2 LEU A 95 -0.588 -1.440 4.797 1.00 63.14 H new ATOM 0 HB3 LEU A 95 -0.616 0.168 5.494 1.00 63.14 H new ATOM 0 HG LEU A 95 0.453 -0.597 2.763 1.00 22.41 H new ATOM 0 HD11 LEU A 95 -1.401 0.803 1.945 1.00 22.41 H new ATOM 0 HD12 LEU A 95 -1.988 -0.571 2.912 1.00 22.41 H new ATOM 0 HD13 LEU A 95 -1.941 1.061 3.621 1.00 22.41 H new ATOM 0 HD21 LEU A 95 0.794 1.820 2.424 1.00 4.13 H new ATOM 0 HD22 LEU A 95 0.341 2.118 4.119 1.00 4.13 H new ATOM 0 HD23 LEU A 95 1.811 1.189 3.741 1.00 4.13 H new ATOM 1501 N LEU A 96 0.979 -2.923 6.510 1.00 55.51 N ATOM 1502 CA LEU A 96 0.810 -3.865 7.610 1.00 20.42 C ATOM 1503 C LEU A 96 2.160 -4.391 8.089 1.00 53.42 C ATOM 1504 O LEU A 96 2.240 -5.106 9.086 1.00 30.13 O ATOM 1505 CB LEU A 96 -0.079 -5.032 7.176 1.00 33.04 C ATOM 1506 CG LEU A 96 -1.477 -5.076 7.795 1.00 71.44 C ATOM 1507 CD1 LEU A 96 -2.363 -6.056 7.041 1.00 53.12 C ATOM 1508 CD2 LEU A 96 -1.397 -5.451 9.267 1.00 33.13 C ATOM 0 H LEU A 96 0.953 -3.348 5.583 1.00 55.51 H new ATOM 0 HA LEU A 96 0.332 -3.339 8.436 1.00 20.42 H new ATOM 0 HB2 LEU A 96 -0.184 -4.999 6.092 1.00 33.04 H new ATOM 0 HB3 LEU A 96 0.434 -5.963 7.418 1.00 33.04 H new ATOM 0 HG LEU A 96 -1.920 -4.083 7.717 1.00 71.44 H new ATOM 0 HD11 LEU A 96 -3.354 -6.074 7.495 1.00 53.12 H new ATOM 0 HD12 LEU A 96 -2.447 -5.744 6.000 1.00 53.12 H new ATOM 0 HD13 LEU A 96 -1.924 -7.053 7.087 1.00 53.12 H new ATOM 0 HD21 LEU A 96 -2.401 -5.477 9.691 1.00 33.13 H new ATOM 0 HD22 LEU A 96 -0.935 -6.433 9.368 1.00 33.13 H new ATOM 0 HD23 LEU A 96 -0.798 -4.712 9.799 1.00 33.13 H new ATOM 1520 N ASN A 97 3.218 -4.028 7.371 1.00 21.22 N ATOM 1521 CA ASN A 97 4.565 -4.462 7.724 1.00 43.42 C ATOM 1522 C ASN A 97 4.618 -5.975 7.911 1.00 3.24 C ATOM 1523 O ASN A 97 5.414 -6.485 8.699 1.00 30.14 O ATOM 1524 CB ASN A 97 5.031 -3.761 9.002 1.00 34.41 C ATOM 1525 CG ASN A 97 4.894 -2.253 8.918 1.00 73.40 C ATOM 1526 OD1 ASN A 97 3.788 -1.715 8.975 1.00 71.31 O ATOM 1527 ND2 ASN A 97 6.020 -1.564 8.781 1.00 3.14 N ATOM 0 H ASN A 97 3.169 -3.435 6.542 1.00 21.22 H new ATOM 0 HA ASN A 97 5.233 -4.192 6.906 1.00 43.42 H new ATOM 0 HB2 ASN A 97 4.450 -4.129 9.847 1.00 34.41 H new ATOM 0 HB3 ASN A 97 6.073 -4.018 9.195 1.00 34.41 H new ATOM 0 HD21 ASN A 97 5.991 -0.546 8.718 1.00 3.14 H new ATOM 0 HD22 ASN A 97 6.915 -2.052 8.738 1.00 3.14 H new ATOM 1534 N MET A 98 3.766 -6.686 7.181 1.00 32.21 N ATOM 1535 CA MET A 98 3.717 -8.141 7.266 1.00 71.33 C ATOM 1536 C MET A 98 4.148 -8.777 5.948 1.00 24.31 C ATOM 1537 O MET A 98 3.317 -9.080 5.091 1.00 45.21 O ATOM 1538 CB MET A 98 2.306 -8.605 7.631 1.00 34.14 C ATOM 1539 CG MET A 98 2.047 -8.641 9.129 1.00 73.32 C ATOM 1540 SD MET A 98 2.646 -10.157 9.901 1.00 52.42 S ATOM 1541 CE MET A 98 1.532 -10.288 11.297 1.00 20.43 C ATOM 0 H MET A 98 3.100 -6.279 6.524 1.00 32.21 H new ATOM 0 HA MET A 98 4.409 -8.458 8.046 1.00 71.33 H new ATOM 0 HB2 MET A 98 1.581 -7.941 7.161 1.00 34.14 H new ATOM 0 HB3 MET A 98 2.141 -9.600 7.218 1.00 34.14 H new ATOM 0 HG2 MET A 98 2.530 -7.784 9.598 1.00 73.32 H new ATOM 0 HG3 MET A 98 0.977 -8.543 9.311 1.00 73.32 H new ATOM 0 HE1 MET A 98 1.776 -11.180 11.875 1.00 20.43 H new ATOM 0 HE2 MET A 98 1.636 -9.406 11.929 1.00 20.43 H new ATOM 0 HE3 MET A 98 0.505 -10.358 10.938 1.00 20.43 H new ATOM 1551 N THR A 99 5.453 -8.978 5.792 1.00 4.20 N ATOM 1552 CA THR A 99 5.995 -9.576 4.579 1.00 71.25 C ATOM 1553 C THR A 99 5.449 -10.984 4.368 1.00 14.35 C ATOM 1554 O THR A 99 5.800 -11.912 5.097 1.00 53.01 O ATOM 1555 CB THR A 99 7.534 -9.636 4.620 1.00 54.11 C ATOM 1556 OG1 THR A 99 8.024 -10.410 3.519 1.00 14.42 O ATOM 1557 CG2 THR A 99 8.017 -10.243 5.928 1.00 35.43 C ATOM 0 H THR A 99 6.154 -8.735 6.492 1.00 4.20 H new ATOM 0 HA THR A 99 5.686 -8.941 3.749 1.00 71.25 H new ATOM 0 HB THR A 99 7.917 -8.618 4.547 1.00 54.11 H new ATOM 0 HG1 THR A 99 8.755 -9.928 3.080 1.00 14.42 H new ATOM 0 HG21 THR A 99 9.107 -10.275 5.934 1.00 35.43 H new ATOM 0 HG22 THR A 99 7.667 -9.635 6.762 1.00 35.43 H new ATOM 0 HG23 THR A 99 7.624 -11.255 6.027 1.00 35.43 H new ATOM 1565 N VAL A 100 4.587 -11.136 3.367 1.00 25.13 N ATOM 1566 CA VAL A 100 3.994 -12.432 3.060 1.00 13.21 C ATOM 1567 C VAL A 100 5.038 -13.400 2.516 1.00 42.22 C ATOM 1568 O VAL A 100 6.218 -13.064 2.416 1.00 43.03 O ATOM 1569 CB VAL A 100 2.851 -12.297 2.036 1.00 64.12 C ATOM 1570 CG1 VAL A 100 1.645 -11.618 2.667 1.00 63.31 C ATOM 1571 CG2 VAL A 100 3.324 -11.531 0.809 1.00 13.25 C ATOM 0 H VAL A 100 4.284 -10.378 2.755 1.00 25.13 H new ATOM 0 HA VAL A 100 3.591 -12.825 3.994 1.00 13.21 H new ATOM 0 HB VAL A 100 2.550 -13.296 1.719 1.00 64.12 H new ATOM 0 HG11 VAL A 100 0.848 -11.532 1.928 1.00 63.31 H new ATOM 0 HG12 VAL A 100 1.294 -12.211 3.512 1.00 63.31 H new ATOM 0 HG13 VAL A 100 1.927 -10.624 3.014 1.00 63.31 H new ATOM 0 HG21 VAL A 100 2.504 -11.445 0.096 1.00 13.25 H new ATOM 0 HG22 VAL A 100 3.653 -10.535 1.106 1.00 13.25 H new ATOM 0 HG23 VAL A 100 4.154 -12.064 0.345 1.00 13.25 H new ATOM 1581 N SER A 101 4.596 -14.603 2.165 1.00 71.04 N ATOM 1582 CA SER A 101 5.493 -15.622 1.633 1.00 62.11 C ATOM 1583 C SER A 101 5.523 -15.578 0.108 1.00 34.02 C ATOM 1584 O SER A 101 6.585 -15.671 -0.508 1.00 30.43 O ATOM 1585 CB SER A 101 5.059 -17.011 2.106 1.00 4.20 C ATOM 1586 OG SER A 101 3.837 -16.947 2.820 1.00 21.53 O ATOM 0 H SER A 101 3.622 -14.896 2.239 1.00 71.04 H new ATOM 0 HA SER A 101 6.497 -15.416 2.005 1.00 62.11 H new ATOM 0 HB2 SER A 101 4.948 -17.673 1.247 1.00 4.20 H new ATOM 0 HB3 SER A 101 5.833 -17.441 2.742 1.00 4.20 H new ATOM 0 HG SER A 101 3.580 -17.847 3.110 1.00 21.53 H new ATOM 1592 N THR A 102 4.347 -15.435 -0.496 1.00 62.03 N ATOM 1593 CA THR A 102 4.236 -15.380 -1.948 1.00 42.44 C ATOM 1594 C THR A 102 3.284 -14.272 -2.385 1.00 44.12 C ATOM 1595 O THR A 102 2.506 -13.758 -1.583 1.00 54.31 O ATOM 1596 CB THR A 102 3.745 -16.720 -2.526 1.00 32.42 C ATOM 1597 OG1 THR A 102 2.342 -16.875 -2.281 1.00 43.53 O ATOM 1598 CG2 THR A 102 4.503 -17.886 -1.909 1.00 4.21 C ATOM 0 H THR A 102 3.458 -15.355 -0.002 1.00 62.03 H new ATOM 0 HA THR A 102 5.234 -15.171 -2.333 1.00 42.44 H new ATOM 0 HB THR A 102 3.928 -16.715 -3.601 1.00 32.42 H new ATOM 0 HG1 THR A 102 2.037 -17.729 -2.653 1.00 43.53 H new ATOM 0 HG21 THR A 102 4.139 -18.822 -2.333 1.00 4.21 H new ATOM 0 HG22 THR A 102 5.567 -17.781 -2.121 1.00 4.21 H new ATOM 0 HG23 THR A 102 4.347 -17.891 -0.830 1.00 4.21 H new ATOM 1606 N ALA A 103 3.352 -13.909 -3.662 1.00 61.30 N ATOM 1607 CA ALA A 103 2.494 -12.864 -4.206 1.00 30.12 C ATOM 1608 C ALA A 103 1.021 -13.193 -3.985 1.00 43.23 C ATOM 1609 O ALA A 103 0.224 -12.318 -3.649 1.00 10.10 O ATOM 1610 CB ALA A 103 2.777 -12.667 -5.688 1.00 34.12 C ATOM 0 H ALA A 103 3.993 -14.324 -4.339 1.00 61.30 H new ATOM 0 HA ALA A 103 2.715 -11.936 -3.679 1.00 30.12 H new ATOM 0 HB1 ALA A 103 2.129 -11.884 -6.081 1.00 34.12 H new ATOM 0 HB2 ALA A 103 3.819 -12.378 -5.824 1.00 34.12 H new ATOM 0 HB3 ALA A 103 2.586 -13.598 -6.222 1.00 34.12 H new ATOM 1616 N ALA A 104 0.667 -14.459 -4.178 1.00 23.24 N ATOM 1617 CA ALA A 104 -0.709 -14.903 -3.998 1.00 74.22 C ATOM 1618 C ALA A 104 -1.150 -14.752 -2.546 1.00 53.13 C ATOM 1619 O ALA A 104 -2.244 -14.262 -2.268 1.00 34.11 O ATOM 1620 CB ALA A 104 -0.861 -16.348 -4.450 1.00 31.20 C ATOM 0 H ALA A 104 1.314 -15.195 -4.459 1.00 23.24 H new ATOM 0 HA ALA A 104 -1.351 -14.272 -4.613 1.00 74.22 H new ATOM 0 HB1 ALA A 104 -1.894 -16.666 -4.310 1.00 31.20 H new ATOM 0 HB2 ALA A 104 -0.596 -16.429 -5.504 1.00 31.20 H new ATOM 0 HB3 ALA A 104 -0.202 -16.985 -3.860 1.00 31.20 H new ATOM 1626 N ALA A 105 -0.292 -15.176 -1.625 1.00 21.12 N ATOM 1627 CA ALA A 105 -0.593 -15.086 -0.201 1.00 62.24 C ATOM 1628 C ALA A 105 -0.939 -13.656 0.197 1.00 3.43 C ATOM 1629 O ALA A 105 -1.882 -13.423 0.952 1.00 14.50 O ATOM 1630 CB ALA A 105 0.582 -15.596 0.620 1.00 45.53 C ATOM 0 H ALA A 105 0.617 -15.585 -1.839 1.00 21.12 H new ATOM 0 HA ALA A 105 -1.462 -15.712 0.002 1.00 62.24 H new ATOM 0 HB1 ALA A 105 0.343 -15.523 1.681 1.00 45.53 H new ATOM 0 HB2 ALA A 105 0.781 -16.637 0.364 1.00 45.53 H new ATOM 0 HB3 ALA A 105 1.465 -14.994 0.404 1.00 45.53 H new ATOM 1636 N ALA A 106 -0.168 -12.701 -0.314 1.00 13.01 N ATOM 1637 CA ALA A 106 -0.394 -11.293 -0.012 1.00 35.11 C ATOM 1638 C ALA A 106 -1.769 -10.842 -0.495 1.00 2.03 C ATOM 1639 O ALA A 106 -2.557 -10.294 0.275 1.00 52.34 O ATOM 1640 CB ALA A 106 0.695 -10.437 -0.640 1.00 41.21 C ATOM 0 H ALA A 106 0.619 -12.877 -0.939 1.00 13.01 H new ATOM 0 HA ALA A 106 -0.359 -11.169 1.070 1.00 35.11 H new ATOM 0 HB1 ALA A 106 0.513 -9.388 -0.406 1.00 41.21 H new ATOM 0 HB2 ALA A 106 1.666 -10.734 -0.243 1.00 41.21 H new ATOM 0 HB3 ALA A 106 0.688 -10.574 -1.721 1.00 41.21 H new ATOM 1646 N GLU A 107 -2.048 -11.076 -1.773 1.00 71.02 N ATOM 1647 CA GLU A 107 -3.327 -10.691 -2.358 1.00 35.53 C ATOM 1648 C GLU A 107 -4.486 -11.344 -1.609 1.00 21.12 C ATOM 1649 O GLU A 107 -5.460 -10.682 -1.253 1.00 60.40 O ATOM 1650 CB GLU A 107 -3.376 -11.083 -3.836 1.00 73.10 C ATOM 1651 CG GLU A 107 -4.745 -10.900 -4.469 1.00 52.24 C ATOM 1652 CD GLU A 107 -4.691 -10.895 -5.985 1.00 30.13 C ATOM 1653 OE1 GLU A 107 -3.719 -10.345 -6.543 1.00 0.35 O ATOM 1654 OE2 GLU A 107 -5.622 -11.443 -6.613 1.00 5.43 O ATOM 0 H GLU A 107 -1.406 -11.530 -2.423 1.00 71.02 H new ATOM 0 HA GLU A 107 -3.425 -9.609 -2.273 1.00 35.53 H new ATOM 0 HB2 GLU A 107 -2.648 -10.486 -4.386 1.00 73.10 H new ATOM 0 HB3 GLU A 107 -3.075 -12.126 -3.937 1.00 73.10 H new ATOM 0 HG2 GLU A 107 -5.405 -11.700 -4.135 1.00 52.24 H new ATOM 0 HG3 GLU A 107 -5.179 -9.963 -4.122 1.00 52.24 H new ATOM 1661 N ASN A 108 -4.372 -12.647 -1.374 1.00 24.31 N ATOM 1662 CA ASN A 108 -5.409 -13.391 -0.669 1.00 13.34 C ATOM 1663 C ASN A 108 -5.665 -12.792 0.711 1.00 53.41 C ATOM 1664 O ASN A 108 -6.812 -12.585 1.106 1.00 75.51 O ATOM 1665 CB ASN A 108 -5.009 -14.861 -0.532 1.00 70.11 C ATOM 1666 CG ASN A 108 -6.190 -15.754 -0.202 1.00 40.45 C ATOM 1667 OD1 ASN A 108 -7.287 -15.271 0.081 1.00 63.33 O ATOM 1668 ND2 ASN A 108 -5.970 -17.063 -0.238 1.00 0.32 N ATOM 0 H ASN A 108 -3.571 -13.210 -1.662 1.00 24.31 H new ATOM 0 HA ASN A 108 -6.328 -13.325 -1.252 1.00 13.34 H new ATOM 0 HB2 ASN A 108 -4.551 -15.198 -1.462 1.00 70.11 H new ATOM 0 HB3 ASN A 108 -4.254 -14.958 0.249 1.00 70.11 H new ATOM 0 HD21 ASN A 108 -6.727 -17.713 -0.026 1.00 0.32 H new ATOM 0 HD22 ASN A 108 -5.044 -17.418 -0.478 1.00 0.32 H new ATOM 1675 N MET A 109 -4.588 -12.514 1.439 1.00 54.14 N ATOM 1676 CA MET A 109 -4.697 -11.937 2.773 1.00 4.54 C ATOM 1677 C MET A 109 -5.311 -10.542 2.714 1.00 14.22 C ATOM 1678 O MET A 109 -5.996 -10.115 3.644 1.00 1.33 O ATOM 1679 CB MET A 109 -3.320 -11.872 3.437 1.00 1.05 C ATOM 1680 CG MET A 109 -3.380 -11.776 4.953 1.00 33.23 C ATOM 1681 SD MET A 109 -1.915 -10.997 5.659 1.00 72.30 S ATOM 1682 CE MET A 109 -2.648 -9.594 6.497 1.00 50.04 C ATOM 0 H MET A 109 -3.631 -12.679 1.127 1.00 54.14 H new ATOM 0 HA MET A 109 -5.350 -12.577 3.366 1.00 4.54 H new ATOM 0 HB2 MET A 109 -2.750 -12.759 3.160 1.00 1.05 H new ATOM 0 HB3 MET A 109 -2.778 -11.010 3.048 1.00 1.05 H new ATOM 0 HG2 MET A 109 -4.264 -11.208 5.242 1.00 33.23 H new ATOM 0 HG3 MET A 109 -3.493 -12.776 5.372 1.00 33.23 H new ATOM 0 HE1 MET A 109 -1.967 -9.234 7.268 1.00 50.04 H new ATOM 0 HE2 MET A 109 -2.835 -8.797 5.777 1.00 50.04 H new ATOM 0 HE3 MET A 109 -3.589 -9.896 6.956 1.00 50.04 H new ATOM 1692 N TYR A 110 -5.063 -9.837 1.616 1.00 2.32 N ATOM 1693 CA TYR A 110 -5.590 -8.489 1.438 1.00 62.04 C ATOM 1694 C TYR A 110 -7.110 -8.511 1.306 1.00 24.40 C ATOM 1695 O TYR A 110 -7.803 -7.649 1.845 1.00 34.32 O ATOM 1696 CB TYR A 110 -4.969 -7.836 0.202 1.00 52.25 C ATOM 1697 CG TYR A 110 -5.164 -6.337 0.146 1.00 33.51 C ATOM 1698 CD1 TYR A 110 -4.703 -5.519 1.169 1.00 14.44 C ATOM 1699 CD2 TYR A 110 -5.809 -5.741 -0.931 1.00 1.45 C ATOM 1700 CE1 TYR A 110 -4.880 -4.149 1.123 1.00 32.31 C ATOM 1701 CE2 TYR A 110 -5.989 -4.372 -0.986 1.00 21.00 C ATOM 1702 CZ TYR A 110 -5.523 -3.581 0.043 1.00 13.24 C ATOM 1703 OH TYR A 110 -5.700 -2.217 -0.007 1.00 71.11 O ATOM 0 H TYR A 110 -4.500 -10.176 0.836 1.00 2.32 H new ATOM 0 HA TYR A 110 -5.329 -7.904 2.320 1.00 62.04 H new ATOM 0 HB2 TYR A 110 -3.902 -8.056 0.183 1.00 52.25 H new ATOM 0 HB3 TYR A 110 -5.403 -8.284 -0.692 1.00 52.25 H new ATOM 0 HD1 TYR A 110 -4.198 -5.961 2.015 1.00 14.44 H new ATOM 0 HD2 TYR A 110 -6.176 -6.358 -1.738 1.00 1.45 H new ATOM 0 HE1 TYR A 110 -4.517 -3.527 1.928 1.00 32.31 H new ATOM 0 HE2 TYR A 110 -6.492 -3.924 -1.830 1.00 21.00 H new ATOM 0 HH TYR A 110 -6.169 -1.978 -0.834 1.00 71.11 H new ATOM 1713 N SER A 111 -7.620 -9.505 0.585 1.00 10.32 N ATOM 1714 CA SER A 111 -9.057 -9.639 0.379 1.00 73.40 C ATOM 1715 C SER A 111 -9.723 -10.279 1.594 1.00 41.41 C ATOM 1716 O SER A 111 -10.751 -9.802 2.073 1.00 0.34 O ATOM 1717 CB SER A 111 -9.338 -10.477 -0.870 1.00 54.32 C ATOM 1718 OG SER A 111 -10.556 -10.088 -1.481 1.00 54.23 O ATOM 0 H SER A 111 -7.060 -10.228 0.134 1.00 10.32 H new ATOM 0 HA SER A 111 -9.474 -8.641 0.241 1.00 73.40 H new ATOM 0 HB2 SER A 111 -8.519 -10.363 -1.580 1.00 54.32 H new ATOM 0 HB3 SER A 111 -9.383 -11.532 -0.601 1.00 54.32 H new ATOM 0 HG SER A 111 -10.712 -10.637 -2.278 1.00 54.23 H new ATOM 1724 N GLN A 112 -9.128 -11.361 2.086 1.00 51.25 N ATOM 1725 CA GLN A 112 -9.663 -12.066 3.244 1.00 73.31 C ATOM 1726 C GLN A 112 -9.756 -11.139 4.451 1.00 14.10 C ATOM 1727 O GLN A 112 -10.670 -11.257 5.267 1.00 4.04 O ATOM 1728 CB GLN A 112 -8.788 -13.275 3.581 1.00 51.14 C ATOM 1729 CG GLN A 112 -9.495 -14.321 4.426 1.00 34.53 C ATOM 1730 CD GLN A 112 -8.578 -15.456 4.838 1.00 33.03 C ATOM 1731 OE1 GLN A 112 -7.906 -15.384 5.867 1.00 10.25 O ATOM 1732 NE2 GLN A 112 -8.546 -16.513 4.035 1.00 1.01 N ATOM 0 H GLN A 112 -8.276 -11.768 1.701 1.00 51.25 H new ATOM 0 HA GLN A 112 -10.667 -12.411 2.996 1.00 73.31 H new ATOM 0 HB2 GLN A 112 -8.449 -13.737 2.654 1.00 51.14 H new ATOM 0 HB3 GLN A 112 -7.899 -12.933 4.110 1.00 51.14 H new ATOM 0 HG2 GLN A 112 -9.903 -13.846 5.318 1.00 34.53 H new ATOM 0 HG3 GLN A 112 -10.338 -14.725 3.866 1.00 34.53 H new ATOM 0 HE21 GLN A 112 -9.120 -16.530 3.192 1.00 1.01 H new ATOM 0 HE22 GLN A 112 -7.948 -17.307 4.261 1.00 1.01 H new ATOM 1741 N MET A 113 -8.805 -10.217 4.557 1.00 12.13 N ATOM 1742 CA MET A 113 -8.781 -9.269 5.665 1.00 51.40 C ATOM 1743 C MET A 113 -9.954 -8.297 5.575 1.00 62.32 C ATOM 1744 O MET A 113 -10.404 -7.758 6.584 1.00 12.54 O ATOM 1745 CB MET A 113 -7.462 -8.494 5.673 1.00 62.04 C ATOM 1746 CG MET A 113 -6.359 -9.180 6.462 1.00 22.20 C ATOM 1747 SD MET A 113 -6.677 -9.190 8.237 1.00 55.53 S ATOM 1748 CE MET A 113 -6.742 -10.950 8.560 1.00 72.12 C ATOM 0 H MET A 113 -8.041 -10.106 3.890 1.00 12.13 H new ATOM 0 HA MET A 113 -8.869 -9.833 6.594 1.00 51.40 H new ATOM 0 HB2 MET A 113 -7.128 -8.351 4.645 1.00 62.04 H new ATOM 0 HB3 MET A 113 -7.635 -7.503 6.092 1.00 62.04 H new ATOM 0 HG2 MET A 113 -6.251 -10.206 6.111 1.00 22.20 H new ATOM 0 HG3 MET A 113 -5.412 -8.675 6.269 1.00 22.20 H new ATOM 0 HE1 MET A 113 -6.933 -11.119 9.620 1.00 72.12 H new ATOM 0 HE2 MET A 113 -7.542 -11.399 7.972 1.00 72.12 H new ATOM 0 HE3 MET A 113 -5.791 -11.406 8.285 1.00 72.12 H new ATOM 1758 N GLY A 114 -10.444 -8.079 4.358 1.00 30.31 N ATOM 1759 CA GLY A 114 -11.560 -7.173 4.159 1.00 3.34 C ATOM 1760 C GLY A 114 -11.138 -5.868 3.513 1.00 14.11 C ATOM 1761 O GLY A 114 -11.845 -4.863 3.606 1.00 33.54 O ATOM 0 H GLY A 114 -10.088 -8.514 3.507 1.00 30.31 H new ATOM 0 HA2 GLY A 114 -12.311 -7.658 3.535 1.00 3.34 H new ATOM 0 HA3 GLY A 114 -12.030 -6.964 5.120 1.00 3.34 H new