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 17:sc= 0.719 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.361 K(o=-0.36,f=-2.6!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 1.28 (180deg=0.863) USER MOD Single : A 80 SER OG : rot 141:sc= 1.19 USER MOD Single : A 81 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.6!) USER MOD Single : A 87 SER OG : rot 180:sc=-0.00538 USER MOD Single : A 92 GLN : amide:sc=-0.00224 X(o=-0.0022,f=0) USER MOD Single : A 100 THR OG1 : rot 150:sc= -0.0997 USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 0.4 (180deg=0.0965) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 74:sc= 0.943 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot -170:sc= -0.638 USER MOD Single : A 121 HIS : no HE2:sc= -0.485 K(o=-0.49,f=-1.7) USER MOD Single : A 130 LYS NZ :NH3+ 160:sc= 0.296 (180deg=-0.22) USER MOD Single : A 132 MET CE :methyl 179:sc= -1.24 (180deg=-1.28) USER MOD Single : A 133 LYS NZ :NH3+ 166:sc= -0.359 (180deg=-1.06!) USER MOD Single : A 134 GLN : amide:sc= 0.0878 X(o=0.088,f=0) USER MOD Single : A 135 TYR OH : rot -37:sc= -0.486 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -132:sc=-0.00962 (180deg=-2.29!) USER MOD Single : A 148 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 8 -18.941 62.262 10.621 1.00 17.93 N ATOM 109 CA SER A 8 -18.809 60.826 10.798 1.00 18.07 C ATOM 110 C SER A 8 -17.937 60.225 9.703 1.00 17.91 C ATOM 111 O SER A 8 -18.440 59.682 8.717 1.00 17.61 O ATOM 112 CB SER A 8 -20.191 60.170 10.802 1.00 18.00 C ATOM 113 OG SER A 8 -21.197 61.113 11.134 1.00 17.96 O ATOM 0 HA SER A 8 -18.326 60.637 11.757 1.00 18.07 H new ATOM 0 HB2 SER A 8 -20.398 59.742 9.821 1.00 18.00 H new ATOM 0 HB3 SER A 8 -20.206 59.348 11.518 1.00 18.00 H new ATOM 0 HG SER A 8 -20.844 62.021 11.023 1.00 17.96 H new ATOM 119 N LEU A 9 -16.626 60.336 9.883 1.00 18.20 N ATOM 120 CA LEU A 9 -15.664 59.792 8.935 1.00 18.26 C ATOM 121 C LEU A 9 -15.813 58.280 8.844 1.00 18.43 C ATOM 122 O LEU A 9 -15.765 57.704 7.757 1.00 18.25 O ATOM 123 CB LEU A 9 -14.235 60.150 9.361 1.00 18.77 C ATOM 124 CG LEU A 9 -13.634 61.395 8.699 1.00 18.82 C ATOM 125 CD1 LEU A 9 -13.819 61.350 7.191 1.00 19.04 C ATOM 126 CD2 LEU A 9 -14.250 62.661 9.281 1.00 18.92 C ATOM 0 H LEU A 9 -16.203 60.803 10.685 1.00 18.20 H new ATOM 0 HA LEU A 9 -15.859 60.228 7.955 1.00 18.26 H new ATOM 0 HB2 LEU A 9 -14.224 60.295 10.441 1.00 18.77 H new ATOM 0 HB3 LEU A 9 -13.588 59.299 9.146 1.00 18.77 H new ATOM 0 HG LEU A 9 -12.564 61.408 8.907 1.00 18.82 H new ATOM 0 HD11 LEU A 9 -13.384 62.244 6.744 1.00 19.04 H new ATOM 0 HD12 LEU A 9 -13.323 60.466 6.790 1.00 19.04 H new ATOM 0 HD13 LEU A 9 -14.883 61.307 6.956 1.00 19.04 H new ATOM 0 HD21 LEU A 9 -13.811 63.534 8.799 1.00 18.92 H new ATOM 0 HD22 LEU A 9 -15.326 62.654 9.109 1.00 18.92 H new ATOM 0 HD23 LEU A 9 -14.054 62.702 10.353 1.00 18.92 H new ATOM 138 N ASP A 10 -16.017 57.654 10.000 1.00 18.85 N ATOM 139 CA ASP A 10 -16.187 56.205 10.084 1.00 19.17 C ATOM 140 C ASP A 10 -17.365 55.744 9.238 1.00 18.74 C ATOM 141 O ASP A 10 -17.256 54.773 8.487 1.00 18.78 O ATOM 142 CB ASP A 10 -16.395 55.761 11.539 1.00 19.78 C ATOM 143 CG ASP A 10 -17.147 56.783 12.367 1.00 19.90 C ATOM 144 OD1 ASP A 10 -18.357 56.978 12.138 1.00 19.72 O ATOM 145 OD2 ASP A 10 -16.523 57.407 13.250 1.00 20.27 O ATOM 0 H ASP A 10 -16.069 58.132 10.899 1.00 18.85 H new ATOM 0 HA ASP A 10 -15.276 55.746 9.700 1.00 19.17 H new ATOM 0 HB2 ASP A 10 -16.942 54.818 11.551 1.00 19.78 H new ATOM 0 HB3 ASP A 10 -15.425 55.572 11.998 1.00 19.78 H new ATOM 150 N ASP A 11 -18.485 56.447 9.359 1.00 18.38 N ATOM 151 CA ASP A 11 -19.682 56.118 8.597 1.00 18.04 C ATOM 152 C ASP A 11 -19.425 56.230 7.103 1.00 17.56 C ATOM 153 O ASP A 11 -19.938 55.434 6.318 1.00 17.42 O ATOM 154 CB ASP A 11 -20.852 57.018 8.990 1.00 17.93 C ATOM 155 CG ASP A 11 -22.187 56.398 8.636 1.00 17.97 C ATOM 156 OD1 ASP A 11 -22.389 55.200 8.918 1.00 18.05 O ATOM 157 OD2 ASP A 11 -23.049 57.114 8.080 1.00 17.99 O ATOM 0 H ASP A 11 -18.588 57.250 9.979 1.00 18.38 H new ATOM 0 HA ASP A 11 -19.943 55.086 8.832 1.00 18.04 H new ATOM 0 HB2 ASP A 11 -20.815 57.213 10.062 1.00 17.93 H new ATOM 0 HB3 ASP A 11 -20.754 57.980 8.487 1.00 17.93 H new ATOM 162 N ILE A 12 -18.622 57.216 6.717 1.00 17.40 N ATOM 163 CA ILE A 12 -18.225 57.369 5.326 1.00 17.12 C ATOM 164 C ILE A 12 -17.414 56.170 4.878 1.00 17.38 C ATOM 165 O ILE A 12 -17.697 55.582 3.845 1.00 17.18 O ATOM 166 CB ILE A 12 -17.383 58.633 5.093 1.00 17.14 C ATOM 167 CG1 ILE A 12 -18.161 59.876 5.518 1.00 16.99 C ATOM 168 CG2 ILE A 12 -16.972 58.730 3.628 1.00 17.02 C ATOM 169 CD1 ILE A 12 -17.276 61.051 5.869 1.00 17.20 C ATOM 0 H ILE A 12 -18.235 57.918 7.348 1.00 17.40 H new ATOM 0 HA ILE A 12 -19.145 57.453 4.748 1.00 17.12 H new ATOM 0 HB ILE A 12 -16.481 58.570 5.701 1.00 17.14 H new ATOM 0 HG12 ILE A 12 -18.834 60.167 4.712 1.00 16.99 H new ATOM 0 HG13 ILE A 12 -18.782 59.629 6.379 1.00 16.99 H new ATOM 0 HG21 ILE A 12 -16.376 59.630 3.476 1.00 17.02 H new ATOM 0 HG22 ILE A 12 -16.383 57.854 3.357 1.00 17.02 H new ATOM 0 HG23 ILE A 12 -17.863 58.775 3.002 1.00 17.02 H new ATOM 0 HD11 ILE A 12 -17.896 61.899 6.162 1.00 17.20 H new ATOM 0 HD12 ILE A 12 -16.620 60.778 6.696 1.00 17.20 H new ATOM 0 HD13 ILE A 12 -16.673 61.324 5.003 1.00 17.20 H new ATOM 181 N ILE A 13 -16.403 55.823 5.664 1.00 17.90 N ATOM 182 CA ILE A 13 -15.574 54.651 5.388 1.00 18.37 C ATOM 183 C ILE A 13 -16.440 53.412 5.161 1.00 18.32 C ATOM 184 O ILE A 13 -16.265 52.692 4.178 1.00 18.33 O ATOM 185 CB ILE A 13 -14.577 54.380 6.535 1.00 19.08 C ATOM 186 CG1 ILE A 13 -13.642 55.576 6.716 1.00 19.19 C ATOM 187 CG2 ILE A 13 -13.773 53.118 6.260 1.00 19.74 C ATOM 188 CD1 ILE A 13 -13.143 55.749 8.132 1.00 19.76 C ATOM 0 H ILE A 13 -16.134 56.338 6.503 1.00 17.90 H new ATOM 0 HA ILE A 13 -15.009 54.865 4.481 1.00 18.37 H new ATOM 0 HB ILE A 13 -15.142 54.233 7.456 1.00 19.08 H new ATOM 0 HG12 ILE A 13 -12.787 55.461 6.050 1.00 19.19 H new ATOM 0 HG13 ILE A 13 -14.164 56.483 6.411 1.00 19.19 H new ATOM 0 HG21 ILE A 13 -13.076 52.945 7.080 1.00 19.74 H new ATOM 0 HG22 ILE A 13 -14.449 52.268 6.172 1.00 19.74 H new ATOM 0 HG23 ILE A 13 -13.217 53.236 5.330 1.00 19.74 H new ATOM 0 HD11 ILE A 13 -12.486 56.617 8.183 1.00 19.76 H new ATOM 0 HD12 ILE A 13 -13.991 55.896 8.801 1.00 19.76 H new ATOM 0 HD13 ILE A 13 -12.592 54.859 8.435 1.00 19.76 H new ATOM 200 N LYS A 14 -17.382 53.183 6.065 1.00 18.34 N ATOM 201 CA LYS A 14 -18.320 52.070 5.934 1.00 18.38 C ATOM 202 C LYS A 14 -19.128 52.197 4.646 1.00 17.73 C ATOM 203 O LYS A 14 -19.261 51.240 3.878 1.00 17.76 O ATOM 204 CB LYS A 14 -19.275 52.041 7.127 1.00 18.59 C ATOM 205 CG LYS A 14 -18.577 51.936 8.472 1.00 19.27 C ATOM 206 CD LYS A 14 -17.852 50.611 8.628 1.00 19.91 C ATOM 207 CE LYS A 14 -18.236 49.918 9.927 1.00 20.52 C ATOM 208 NZ LYS A 14 -17.056 49.367 10.641 1.00 21.03 N ATOM 0 H LYS A 14 -17.519 53.753 6.900 1.00 18.34 H new ATOM 0 HA LYS A 14 -17.745 51.144 5.905 1.00 18.38 H new ATOM 0 HB2 LYS A 14 -19.884 52.945 7.114 1.00 18.59 H new ATOM 0 HB3 LYS A 14 -19.955 51.197 7.015 1.00 18.59 H new ATOM 0 HG2 LYS A 14 -17.865 52.755 8.577 1.00 19.27 H new ATOM 0 HG3 LYS A 14 -19.310 52.046 9.272 1.00 19.27 H new ATOM 0 HD2 LYS A 14 -18.089 49.963 7.784 1.00 19.91 H new ATOM 0 HD3 LYS A 14 -16.775 50.779 8.608 1.00 19.91 H new ATOM 0 HE2 LYS A 14 -18.752 50.626 10.575 1.00 20.52 H new ATOM 0 HE3 LYS A 14 -18.938 49.112 9.713 1.00 20.52 H new ATOM 0 HZ1 LYS A 14 -17.366 48.905 11.519 1.00 21.03 H new ATOM 0 HZ2 LYS A 14 -16.577 48.671 10.034 1.00 21.03 H new ATOM 0 HZ3 LYS A 14 -16.397 50.139 10.870 1.00 21.03 H new ATOM 222 N LEU A 15 -19.651 53.395 4.415 1.00 17.23 N ATOM 223 CA LEU A 15 -20.459 53.685 3.236 1.00 16.69 C ATOM 224 C LEU A 15 -19.637 53.520 1.963 1.00 16.61 C ATOM 225 O LEU A 15 -20.147 53.090 0.933 1.00 16.40 O ATOM 226 CB LEU A 15 -20.999 55.117 3.327 1.00 16.34 C ATOM 227 CG LEU A 15 -22.026 55.509 2.266 1.00 16.28 C ATOM 228 CD1 LEU A 15 -23.266 56.091 2.920 1.00 16.26 C ATOM 229 CD2 LEU A 15 -21.425 56.506 1.285 1.00 16.28 C ATOM 0 H LEU A 15 -19.527 54.192 5.039 1.00 17.23 H new ATOM 0 HA LEU A 15 -21.291 52.981 3.199 1.00 16.69 H new ATOM 0 HB2 LEU A 15 -21.450 55.253 4.310 1.00 16.34 H new ATOM 0 HB3 LEU A 15 -20.158 55.807 3.264 1.00 16.34 H new ATOM 0 HG LEU A 15 -22.313 54.613 1.715 1.00 16.28 H new ATOM 0 HD11 LEU A 15 -23.988 56.365 2.151 1.00 16.26 H new ATOM 0 HD12 LEU A 15 -23.708 55.350 3.585 1.00 16.26 H new ATOM 0 HD13 LEU A 15 -22.993 56.977 3.494 1.00 16.26 H new ATOM 0 HD21 LEU A 15 -22.170 56.774 0.536 1.00 16.28 H new ATOM 0 HD22 LEU A 15 -21.112 57.401 1.822 1.00 16.28 H new ATOM 0 HD23 LEU A 15 -20.562 56.057 0.793 1.00 16.28 H new ATOM 241 N ASN A 16 -18.359 53.864 2.053 1.00 16.87 N ATOM 242 CA ASN A 16 -17.458 53.823 0.912 1.00 17.01 C ATOM 243 C ASN A 16 -16.977 52.402 0.653 1.00 17.40 C ATOM 244 O ASN A 16 -16.529 52.072 -0.446 1.00 17.38 O ATOM 245 CB ASN A 16 -16.264 54.748 1.139 1.00 17.36 C ATOM 246 CG ASN A 16 -16.539 56.153 0.648 1.00 17.34 C ATOM 247 OD1 ASN A 16 -15.825 56.681 -0.207 1.00 17.60 O ATOM 248 ND2 ASN A 16 -17.578 56.766 1.191 1.00 17.15 N ATOM 0 H ASN A 16 -17.920 54.179 2.918 1.00 16.87 H new ATOM 0 HA ASN A 16 -18.007 54.167 0.036 1.00 17.01 H new ATOM 0 HB2 ASN A 16 -16.022 54.775 2.202 1.00 17.36 H new ATOM 0 HB3 ASN A 16 -15.391 54.347 0.624 1.00 17.36 H new ATOM 0 HD21 ASN A 16 -17.817 57.716 0.905 1.00 17.15 H new ATOM 0 HD22 ASN A 16 -18.141 56.289 1.896 1.00 17.15 H new ATOM 255 N ARG A 17 -17.053 51.572 1.683 1.00 17.84 N ATOM 256 CA ARG A 17 -16.692 50.168 1.566 1.00 18.36 C ATOM 257 C ARG A 17 -17.835 49.389 0.937 1.00 18.04 C ATOM 258 O ARG A 17 -17.672 48.737 -0.095 1.00 18.25 O ATOM 259 CB ARG A 17 -16.367 49.585 2.944 1.00 19.06 C ATOM 260 CG ARG A 17 -14.926 49.790 3.372 1.00 19.37 C ATOM 261 CD ARG A 17 -14.789 49.776 4.885 1.00 19.91 C ATOM 262 NE ARG A 17 -15.063 48.455 5.454 1.00 20.74 N ATOM 263 CZ ARG A 17 -14.156 47.714 6.093 1.00 21.41 C ATOM 264 NH1 ARG A 17 -12.900 48.129 6.192 1.00 21.38 N ATOM 265 NH2 ARG A 17 -14.503 46.545 6.616 1.00 22.20 N ATOM 0 H ARG A 17 -17.363 51.849 2.614 1.00 17.84 H new ATOM 0 HA ARG A 17 -15.809 50.087 0.932 1.00 18.36 H new ATOM 0 HB2 ARG A 17 -17.024 50.040 3.685 1.00 19.06 H new ATOM 0 HB3 ARG A 17 -16.586 48.517 2.937 1.00 19.06 H new ATOM 0 HG2 ARG A 17 -14.302 49.007 2.942 1.00 19.37 H new ATOM 0 HG3 ARG A 17 -14.560 50.739 2.981 1.00 19.37 H new ATOM 0 HD2 ARG A 17 -13.781 50.086 5.159 1.00 19.91 H new ATOM 0 HD3 ARG A 17 -15.475 50.505 5.317 1.00 19.91 H new ATOM 0 HE ARG A 17 -16.006 48.078 5.356 1.00 20.74 H new ATOM 0 HH11 ARG A 17 -12.623 49.019 5.778 1.00 21.38 H new ATOM 0 HH12 ARG A 17 -12.211 47.558 6.682 1.00 21.38 H new ATOM 0 HH21 ARG A 17 -15.463 46.213 6.530 1.00 22.20 H new ATOM 0 HH22 ARG A 17 -13.809 45.979 7.104 1.00 22.20 H new ATOM 279 N ASN A 18 -19.007 49.488 1.548 1.00 17.62 N ATOM 280 CA ASN A 18 -20.173 48.751 1.087 1.00 17.37 C ATOM 281 C ASN A 18 -21.039 49.614 0.180 1.00 16.66 C ATOM 282 O ASN A 18 -22.267 49.550 0.224 1.00 16.34 O ATOM 283 CB ASN A 18 -20.994 48.245 2.275 1.00 17.47 C ATOM 284 CG ASN A 18 -21.483 46.824 2.065 1.00 17.64 C ATOM 285 OD1 ASN A 18 -20.954 46.090 1.231 1.00 17.99 O ATOM 286 ND2 ASN A 18 -22.493 46.425 2.823 1.00 17.50 N ATOM 0 H ASN A 18 -19.175 50.073 2.366 1.00 17.62 H new ATOM 0 HA ASN A 18 -19.822 47.893 0.513 1.00 17.37 H new ATOM 0 HB2 ASN A 18 -20.388 48.290 3.180 1.00 17.47 H new ATOM 0 HB3 ASN A 18 -21.849 48.903 2.431 1.00 17.47 H new ATOM 0 HD21 ASN A 18 -22.860 45.478 2.727 1.00 17.50 H new ATOM 0 HD22 ASN A 18 -22.904 47.065 3.503 1.00 17.50 H new ATOM 700 N ALA A 44 -27.458 0.148 -18.066 1.00 11.18 N ATOM 701 CA ALA A 44 -26.032 0.385 -18.114 1.00 10.95 C ATOM 702 C ALA A 44 -25.437 0.223 -16.720 1.00 11.14 C ATOM 703 O ALA A 44 -25.787 0.970 -15.803 1.00 11.37 O ATOM 704 CB ALA A 44 -25.748 1.779 -18.657 1.00 10.91 C ATOM 0 HA ALA A 44 -25.570 -0.343 -18.781 1.00 10.95 H new ATOM 0 HB1 ALA A 44 -24.671 1.945 -18.688 1.00 10.91 H new ATOM 0 HB2 ALA A 44 -26.158 1.868 -19.663 1.00 10.91 H new ATOM 0 HB3 ALA A 44 -26.211 2.523 -18.009 1.00 10.91 H new ATOM 710 N PRO A 45 -24.570 -0.785 -16.532 1.00 11.20 N ATOM 711 CA PRO A 45 -23.859 -1.005 -15.264 1.00 11.61 C ATOM 712 C PRO A 45 -23.116 0.244 -14.791 1.00 11.90 C ATOM 713 O PRO A 45 -22.952 0.473 -13.592 1.00 12.39 O ATOM 714 CB PRO A 45 -22.862 -2.114 -15.609 1.00 11.62 C ATOM 715 CG PRO A 45 -23.495 -2.850 -16.736 1.00 11.27 C ATOM 716 CD PRO A 45 -24.241 -1.816 -17.532 1.00 11.04 C ATOM 0 HA PRO A 45 -24.541 -1.258 -14.452 1.00 11.61 H new ATOM 0 HB2 PRO A 45 -21.895 -1.702 -15.898 1.00 11.62 H new ATOM 0 HB3 PRO A 45 -22.687 -2.769 -14.756 1.00 11.62 H new ATOM 0 HG2 PRO A 45 -22.744 -3.348 -17.349 1.00 11.27 H new ATOM 0 HG3 PRO A 45 -24.170 -3.623 -16.368 1.00 11.27 H new ATOM 0 HD2 PRO A 45 -23.629 -1.412 -18.339 1.00 11.04 H new ATOM 0 HD3 PRO A 45 -25.138 -2.232 -17.990 1.00 11.04 H new ATOM 724 N TYR A 46 -22.674 1.044 -15.748 1.00 11.78 N ATOM 725 CA TYR A 46 -21.979 2.284 -15.462 1.00 12.25 C ATOM 726 C TYR A 46 -22.103 3.218 -16.667 1.00 12.17 C ATOM 727 O TYR A 46 -23.170 3.294 -17.274 1.00 12.24 O ATOM 728 CB TYR A 46 -20.511 1.997 -15.115 1.00 12.71 C ATOM 729 CG TYR A 46 -20.007 2.763 -13.909 1.00 13.40 C ATOM 730 CD1 TYR A 46 -20.432 4.062 -13.661 1.00 13.66 C ATOM 731 CD2 TYR A 46 -19.108 2.188 -13.020 1.00 13.96 C ATOM 732 CE1 TYR A 46 -19.975 4.767 -12.563 1.00 14.45 C ATOM 733 CE2 TYR A 46 -18.648 2.883 -11.919 1.00 14.73 C ATOM 734 CZ TYR A 46 -19.080 4.166 -11.691 1.00 14.98 C ATOM 735 OH TYR A 46 -18.627 4.867 -10.596 1.00 15.86 O ATOM 0 H TYR A 46 -22.788 0.850 -16.743 1.00 11.78 H new ATOM 0 HA TYR A 46 -22.429 2.775 -14.599 1.00 12.25 H new ATOM 0 HB2 TYR A 46 -20.393 0.929 -14.931 1.00 12.71 H new ATOM 0 HB3 TYR A 46 -19.889 2.243 -15.976 1.00 12.71 H new ATOM 0 HD1 TYR A 46 -21.132 4.530 -14.338 1.00 13.66 H new ATOM 0 HD2 TYR A 46 -18.763 1.179 -13.193 1.00 13.96 H new ATOM 0 HE1 TYR A 46 -20.312 5.778 -12.386 1.00 14.45 H new ATOM 0 HE2 TYR A 46 -17.950 2.418 -11.239 1.00 14.73 H new ATOM 0 HH TYR A 46 -18.007 4.308 -10.083 1.00 15.86 H new ATOM 745 N SER A 47 -21.027 3.916 -17.014 1.00 12.21 N ATOM 746 CA SER A 47 -21.022 4.794 -18.175 1.00 12.38 C ATOM 747 C SER A 47 -21.399 4.034 -19.448 1.00 11.92 C ATOM 748 O SER A 47 -22.143 4.545 -20.287 1.00 11.98 O ATOM 749 CB SER A 47 -19.644 5.434 -18.329 1.00 12.96 C ATOM 750 OG SER A 47 -19.166 5.907 -17.079 1.00 13.21 O ATOM 0 H SER A 47 -20.144 3.889 -16.504 1.00 12.21 H new ATOM 0 HA SER A 47 -21.768 5.573 -18.020 1.00 12.38 H new ATOM 0 HB2 SER A 47 -18.944 4.706 -18.740 1.00 12.96 H new ATOM 0 HB3 SER A 47 -19.699 6.260 -19.039 1.00 12.96 H new ATOM 0 HG SER A 47 -18.282 6.312 -17.199 1.00 13.21 H new ATOM 756 N ARG A 48 -20.895 2.816 -19.584 1.00 11.60 N ATOM 757 CA ARG A 48 -21.210 1.987 -20.736 1.00 11.33 C ATOM 758 C ARG A 48 -21.481 0.546 -20.311 1.00 10.91 C ATOM 759 O ARG A 48 -20.733 -0.022 -19.515 1.00 10.95 O ATOM 760 CB ARG A 48 -20.064 2.023 -21.749 1.00 11.76 C ATOM 761 CG ARG A 48 -20.403 1.356 -23.072 1.00 12.38 C ATOM 762 CD ARG A 48 -19.660 1.998 -24.229 1.00 12.85 C ATOM 763 NE ARG A 48 -20.223 3.294 -24.600 1.00 12.95 N ATOM 764 CZ ARG A 48 -19.876 3.969 -25.695 1.00 13.65 C ATOM 765 NH1 ARG A 48 -18.983 3.462 -26.536 1.00 14.27 N ATOM 766 NH2 ARG A 48 -20.422 5.151 -25.951 1.00 13.88 N ATOM 0 H ARG A 48 -20.266 2.380 -18.910 1.00 11.60 H new ATOM 0 HA ARG A 48 -22.110 2.387 -21.203 1.00 11.33 H new ATOM 0 HB2 ARG A 48 -19.786 3.061 -21.935 1.00 11.76 H new ATOM 0 HB3 ARG A 48 -19.192 1.532 -21.317 1.00 11.76 H new ATOM 0 HG2 ARG A 48 -20.152 0.297 -23.021 1.00 12.38 H new ATOM 0 HG3 ARG A 48 -21.477 1.421 -23.248 1.00 12.38 H new ATOM 0 HD2 ARG A 48 -18.611 2.124 -23.959 1.00 12.85 H new ATOM 0 HD3 ARG A 48 -19.689 1.332 -25.091 1.00 12.85 H new ATOM 0 HE ARG A 48 -20.923 3.707 -23.984 1.00 12.95 H new ATOM 0 HH11 ARG A 48 -18.561 2.553 -26.345 1.00 14.27 H new ATOM 0 HH12 ARG A 48 -18.719 3.981 -27.374 1.00 14.27 H new ATOM 0 HH21 ARG A 48 -21.109 5.545 -25.309 1.00 13.88 H new ATOM 0 HH22 ARG A 48 -20.154 5.665 -26.790 1.00 13.88 H new ATOM 780 N PRO A 49 -22.579 -0.045 -20.809 1.00 10.69 N ATOM 781 CA PRO A 49 -22.874 -1.464 -20.606 1.00 10.51 C ATOM 782 C PRO A 49 -21.767 -2.354 -21.156 1.00 10.52 C ATOM 783 O PRO A 49 -21.534 -2.399 -22.365 1.00 10.80 O ATOM 784 CB PRO A 49 -24.170 -1.692 -21.392 1.00 10.63 C ATOM 785 CG PRO A 49 -24.776 -0.342 -21.547 1.00 10.68 C ATOM 786 CD PRO A 49 -23.631 0.631 -21.585 1.00 10.80 C ATOM 0 HA PRO A 49 -22.961 -1.711 -19.548 1.00 10.51 H new ATOM 0 HB2 PRO A 49 -23.967 -2.146 -22.362 1.00 10.63 H new ATOM 0 HB3 PRO A 49 -24.841 -2.366 -20.858 1.00 10.63 H new ATOM 0 HG2 PRO A 49 -25.367 -0.283 -22.461 1.00 10.68 H new ATOM 0 HG3 PRO A 49 -25.448 -0.120 -20.718 1.00 10.68 H new ATOM 0 HD2 PRO A 49 -23.309 0.832 -22.607 1.00 10.80 H new ATOM 0 HD3 PRO A 49 -23.904 1.589 -21.142 1.00 10.80 H new ATOM 794 N LYS A 50 -21.079 -3.046 -20.264 1.00 10.36 N ATOM 795 CA LYS A 50 -20.004 -3.941 -20.660 1.00 10.37 C ATOM 796 C LYS A 50 -20.540 -5.357 -20.814 1.00 10.32 C ATOM 797 O LYS A 50 -21.524 -5.719 -20.172 1.00 10.35 O ATOM 798 CB LYS A 50 -18.875 -3.925 -19.622 1.00 10.47 C ATOM 799 CG LYS A 50 -18.807 -2.650 -18.794 1.00 10.65 C ATOM 800 CD LYS A 50 -17.677 -1.743 -19.254 1.00 10.86 C ATOM 801 CE LYS A 50 -16.318 -2.298 -18.856 1.00 11.05 C ATOM 802 NZ LYS A 50 -15.237 -1.794 -19.741 1.00 11.40 N ATOM 0 H LYS A 50 -21.246 -3.005 -19.259 1.00 10.36 H new ATOM 0 HA LYS A 50 -19.604 -3.598 -21.614 1.00 10.37 H new ATOM 0 HB2 LYS A 50 -19.002 -4.774 -18.951 1.00 10.47 H new ATOM 0 HB3 LYS A 50 -17.923 -4.063 -20.135 1.00 10.47 H new ATOM 0 HG2 LYS A 50 -19.755 -2.117 -18.867 1.00 10.65 H new ATOM 0 HG3 LYS A 50 -18.665 -2.905 -17.744 1.00 10.65 H new ATOM 0 HD2 LYS A 50 -17.721 -1.627 -20.337 1.00 10.86 H new ATOM 0 HD3 LYS A 50 -17.807 -0.751 -18.822 1.00 10.86 H new ATOM 0 HE2 LYS A 50 -16.101 -2.023 -17.824 1.00 11.05 H new ATOM 0 HE3 LYS A 50 -16.344 -3.387 -18.897 1.00 11.05 H new ATOM 0 HZ1 LYS A 50 -14.326 -2.194 -19.439 1.00 11.40 H new ATOM 0 HZ2 LYS A 50 -15.431 -2.078 -20.722 1.00 11.40 H new ATOM 0 HZ3 LYS A 50 -15.196 -0.756 -19.683 1.00 11.40 H new ATOM 816 N PRO A 51 -19.900 -6.178 -21.667 1.00 10.48 N ATOM 817 CA PRO A 51 -20.266 -7.590 -21.839 1.00 10.66 C ATOM 818 C PRO A 51 -20.025 -8.398 -20.566 1.00 10.49 C ATOM 819 O PRO A 51 -20.365 -9.578 -20.483 1.00 10.76 O ATOM 820 CB PRO A 51 -19.343 -8.076 -22.964 1.00 11.11 C ATOM 821 CG PRO A 51 -18.859 -6.833 -23.630 1.00 11.13 C ATOM 822 CD PRO A 51 -18.790 -5.796 -22.551 1.00 10.75 C ATOM 0 HA PRO A 51 -21.325 -7.711 -22.067 1.00 10.66 H new ATOM 0 HB2 PRO A 51 -18.513 -8.661 -22.568 1.00 11.11 H new ATOM 0 HB3 PRO A 51 -19.878 -8.716 -23.665 1.00 11.11 H new ATOM 0 HG2 PRO A 51 -17.882 -6.989 -24.087 1.00 11.13 H new ATOM 0 HG3 PRO A 51 -19.537 -6.526 -24.426 1.00 11.13 H new ATOM 0 HD2 PRO A 51 -17.832 -5.816 -22.031 1.00 10.75 H new ATOM 0 HD3 PRO A 51 -18.916 -4.789 -22.948 1.00 10.75 H new ATOM 1136 N GLY A 74 -4.430 4.759 -7.335 1.00 10.27 N ATOM 1137 CA GLY A 74 -4.492 6.194 -7.133 1.00 10.44 C ATOM 1138 C GLY A 74 -3.131 6.797 -6.848 1.00 10.53 C ATOM 1139 O GLY A 74 -2.620 7.589 -7.638 1.00 10.94 O ATOM 0 HA2 GLY A 74 -4.916 6.665 -8.020 1.00 10.44 H new ATOM 0 HA3 GLY A 74 -5.164 6.413 -6.303 1.00 10.44 H new ATOM 1143 N ALA A 75 -2.544 6.425 -5.719 1.00 10.31 N ATOM 1144 CA ALA A 75 -1.232 6.929 -5.336 1.00 10.45 C ATOM 1145 C ALA A 75 -0.219 5.794 -5.281 1.00 10.02 C ATOM 1146 O ALA A 75 -0.392 4.835 -4.524 1.00 9.68 O ATOM 1147 CB ALA A 75 -1.316 7.626 -3.992 1.00 10.74 C ATOM 0 H ALA A 75 -2.957 5.774 -5.051 1.00 10.31 H new ATOM 0 HA ALA A 75 -0.902 7.648 -6.086 1.00 10.45 H new ATOM 0 HB1 ALA A 75 -0.331 8.000 -3.714 1.00 10.74 H new ATOM 0 HB2 ALA A 75 -2.015 8.460 -4.058 1.00 10.74 H new ATOM 0 HB3 ALA A 75 -1.663 6.920 -3.237 1.00 10.74 H new ATOM 1153 N LYS A 76 0.835 5.911 -6.080 1.00 10.22 N ATOM 1154 CA LYS A 76 1.825 4.849 -6.221 1.00 9.99 C ATOM 1155 C LYS A 76 3.153 5.241 -5.578 1.00 10.09 C ATOM 1156 O LYS A 76 3.887 6.068 -6.112 1.00 10.63 O ATOM 1157 CB LYS A 76 2.032 4.552 -7.711 1.00 10.41 C ATOM 1158 CG LYS A 76 3.113 3.525 -8.004 1.00 10.50 C ATOM 1159 CD LYS A 76 3.186 3.210 -9.492 1.00 11.20 C ATOM 1160 CE LYS A 76 3.423 1.729 -9.745 1.00 11.56 C ATOM 1161 NZ LYS A 76 4.668 1.246 -9.094 1.00 11.62 N ATOM 0 H LYS A 76 1.027 6.738 -6.645 1.00 10.22 H new ATOM 0 HA LYS A 76 1.458 3.959 -5.710 1.00 9.99 H new ATOM 0 HB2 LYS A 76 1.090 4.200 -8.133 1.00 10.41 H new ATOM 0 HB3 LYS A 76 2.283 5.481 -8.222 1.00 10.41 H new ATOM 0 HG2 LYS A 76 4.077 3.901 -7.662 1.00 10.50 H new ATOM 0 HG3 LYS A 76 2.911 2.611 -7.446 1.00 10.50 H new ATOM 0 HD2 LYS A 76 2.258 3.517 -9.974 1.00 11.20 H new ATOM 0 HD3 LYS A 76 3.989 3.790 -9.947 1.00 11.20 H new ATOM 0 HE2 LYS A 76 2.573 1.157 -9.372 1.00 11.56 H new ATOM 0 HE3 LYS A 76 3.482 1.549 -10.818 1.00 11.56 H new ATOM 0 HZ1 LYS A 76 4.911 0.305 -9.464 1.00 11.62 H new ATOM 0 HZ2 LYS A 76 5.444 1.908 -9.295 1.00 11.62 H new ATOM 0 HZ3 LYS A 76 4.522 1.186 -8.066 1.00 11.62 H new ATOM 1175 N LEU A 77 3.449 4.673 -4.420 1.00 9.69 N ATOM 1176 CA LEU A 77 4.742 4.869 -3.777 1.00 9.77 C ATOM 1177 C LEU A 77 5.684 3.706 -4.097 1.00 9.68 C ATOM 1178 O LEU A 77 5.249 2.639 -4.527 1.00 9.42 O ATOM 1179 CB LEU A 77 4.432 4.968 -2.255 1.00 9.58 C ATOM 1180 CG LEU A 77 5.566 4.904 -1.204 1.00 9.63 C ATOM 1181 CD1 LEU A 77 6.193 3.525 -1.098 1.00 9.26 C ATOM 1182 CD2 LEU A 77 6.622 5.969 -1.446 1.00 10.17 C ATOM 0 H LEU A 77 2.810 4.070 -3.903 1.00 9.69 H new ATOM 0 HA LEU A 77 5.250 5.766 -4.131 1.00 9.77 H new ATOM 0 HB2 LEU A 77 3.904 5.908 -2.097 1.00 9.58 H new ATOM 0 HB3 LEU A 77 3.733 4.166 -2.019 1.00 9.58 H new ATOM 0 HG LEU A 77 5.097 5.111 -0.242 1.00 9.63 H new ATOM 0 HD11 LEU A 77 6.982 3.541 -0.346 1.00 9.26 H new ATOM 0 HD12 LEU A 77 5.431 2.800 -0.810 1.00 9.26 H new ATOM 0 HD13 LEU A 77 6.617 3.243 -2.062 1.00 9.26 H new ATOM 0 HD21 LEU A 77 7.400 5.889 -0.686 1.00 10.17 H new ATOM 0 HD22 LEU A 77 7.063 5.827 -2.433 1.00 10.17 H new ATOM 0 HD23 LEU A 77 6.162 6.956 -1.393 1.00 10.17 H new ATOM 1194 N LEU A 78 6.970 3.922 -3.852 1.00 10.10 N ATOM 1195 CA LEU A 78 7.989 2.923 -4.118 1.00 10.21 C ATOM 1196 C LEU A 78 9.022 2.964 -2.998 1.00 10.19 C ATOM 1197 O LEU A 78 9.263 4.023 -2.410 1.00 10.62 O ATOM 1198 CB LEU A 78 8.657 3.164 -5.473 1.00 10.97 C ATOM 1199 CG LEU A 78 7.809 2.796 -6.692 1.00 11.03 C ATOM 1200 CD1 LEU A 78 8.396 3.405 -7.955 1.00 11.63 C ATOM 1201 CD2 LEU A 78 7.699 1.286 -6.831 1.00 10.95 C ATOM 0 H LEU A 78 7.332 4.793 -3.464 1.00 10.10 H new ATOM 0 HA LEU A 78 7.524 1.938 -4.154 1.00 10.21 H new ATOM 0 HB2 LEU A 78 8.929 4.217 -5.544 1.00 10.97 H new ATOM 0 HB3 LEU A 78 9.584 2.592 -5.510 1.00 10.97 H new ATOM 0 HG LEU A 78 6.808 3.202 -6.547 1.00 11.03 H new ATOM 0 HD11 LEU A 78 7.779 3.132 -8.811 1.00 11.63 H new ATOM 0 HD12 LEU A 78 8.422 4.490 -7.858 1.00 11.63 H new ATOM 0 HD13 LEU A 78 9.409 3.030 -8.103 1.00 11.63 H new ATOM 0 HD21 LEU A 78 7.092 1.044 -7.704 1.00 10.95 H new ATOM 0 HD22 LEU A 78 8.694 0.858 -6.951 1.00 10.95 H new ATOM 0 HD23 LEU A 78 7.232 0.871 -5.938 1.00 10.95 H new ATOM 1213 N VAL A 79 9.643 1.825 -2.727 1.00 9.81 N ATOM 1214 CA VAL A 79 10.581 1.700 -1.613 1.00 9.81 C ATOM 1215 C VAL A 79 11.744 0.824 -2.029 1.00 10.08 C ATOM 1216 O VAL A 79 11.553 -0.136 -2.761 1.00 10.09 O ATOM 1217 CB VAL A 79 9.942 1.091 -0.342 1.00 9.37 C ATOM 1218 CG1 VAL A 79 8.959 2.040 0.308 1.00 9.42 C ATOM 1219 CG2 VAL A 79 9.264 -0.213 -0.668 1.00 9.16 C ATOM 0 H VAL A 79 9.515 0.968 -3.265 1.00 9.81 H new ATOM 0 HA VAL A 79 10.908 2.710 -1.367 1.00 9.81 H new ATOM 0 HB VAL A 79 10.747 0.910 0.370 1.00 9.37 H new ATOM 0 HG11 VAL A 79 8.534 1.572 1.196 1.00 9.42 H new ATOM 0 HG12 VAL A 79 9.473 2.958 0.592 1.00 9.42 H new ATOM 0 HG13 VAL A 79 8.160 2.274 -0.396 1.00 9.42 H new ATOM 0 HG21 VAL A 79 8.820 -0.628 0.237 1.00 9.16 H new ATOM 0 HG22 VAL A 79 8.484 -0.042 -1.410 1.00 9.16 H new ATOM 0 HG23 VAL A 79 9.997 -0.914 -1.067 1.00 9.16 H new ATOM 1229 N SER A 80 12.934 1.146 -1.558 1.00 10.48 N ATOM 1230 CA SER A 80 14.132 0.401 -1.915 1.00 10.87 C ATOM 1231 C SER A 80 15.229 0.691 -0.899 1.00 10.93 C ATOM 1232 O SER A 80 15.070 1.591 -0.073 1.00 11.28 O ATOM 1233 CB SER A 80 14.604 0.758 -3.332 1.00 11.70 C ATOM 1234 OG SER A 80 13.846 1.823 -3.886 1.00 11.92 O ATOM 0 H SER A 80 13.100 1.925 -0.921 1.00 10.48 H new ATOM 0 HA SER A 80 13.899 -0.664 -1.903 1.00 10.87 H new ATOM 0 HB2 SER A 80 15.657 1.037 -3.305 1.00 11.70 H new ATOM 0 HB3 SER A 80 14.523 -0.119 -3.974 1.00 11.70 H new ATOM 0 HG SER A 80 14.439 2.420 -4.388 1.00 11.92 H new ATOM 1240 N ASN A 81 16.309 -0.092 -0.927 1.00 10.71 N ATOM 1241 CA ASN A 81 17.459 0.141 -0.044 1.00 10.82 C ATOM 1242 C ASN A 81 17.025 0.117 1.419 1.00 11.07 C ATOM 1243 O ASN A 81 17.455 0.939 2.227 1.00 11.33 O ATOM 1244 CB ASN A 81 18.121 1.484 -0.377 1.00 10.85 C ATOM 1245 CG ASN A 81 19.635 1.418 -0.376 1.00 11.09 C ATOM 1246 OD1 ASN A 81 20.227 0.369 -0.121 1.00 11.13 O ATOM 1247 ND2 ASN A 81 20.273 2.540 -0.670 1.00 11.43 N ATOM 0 H ASN A 81 16.414 -0.893 -1.550 1.00 10.71 H new ATOM 0 HA ASN A 81 18.183 -0.658 -0.204 1.00 10.82 H new ATOM 0 HB2 ASN A 81 17.779 1.818 -1.357 1.00 10.85 H new ATOM 0 HB3 ASN A 81 17.796 2.232 0.346 1.00 10.85 H new ATOM 0 HD21 ASN A 81 21.293 2.556 -0.691 1.00 11.43 H new ATOM 0 HD22 ASN A 81 19.745 3.388 -0.875 1.00 11.43 H new ATOM 1254 N LEU A 82 16.168 -0.835 1.740 1.00 11.17 N ATOM 1255 CA LEU A 82 15.570 -0.931 3.061 1.00 11.63 C ATOM 1256 C LEU A 82 16.255 -2.023 3.873 1.00 11.86 C ATOM 1257 O LEU A 82 17.428 -2.325 3.648 1.00 12.01 O ATOM 1258 CB LEU A 82 14.068 -1.219 2.928 1.00 12.01 C ATOM 1259 CG LEU A 82 13.599 -1.553 1.509 1.00 12.36 C ATOM 1260 CD1 LEU A 82 13.874 -3.010 1.186 1.00 12.48 C ATOM 1261 CD2 LEU A 82 12.123 -1.240 1.347 1.00 12.61 C ATOM 0 H LEU A 82 15.866 -1.564 1.093 1.00 11.17 H new ATOM 0 HA LEU A 82 15.703 0.016 3.584 1.00 11.63 H new ATOM 0 HB2 LEU A 82 13.813 -2.051 3.585 1.00 12.01 H new ATOM 0 HB3 LEU A 82 13.513 -0.351 3.283 1.00 12.01 H new ATOM 0 HG LEU A 82 14.159 -0.934 0.808 1.00 12.36 H new ATOM 0 HD11 LEU A 82 13.534 -3.229 0.174 1.00 12.48 H new ATOM 0 HD12 LEU A 82 14.944 -3.203 1.259 1.00 12.48 H new ATOM 0 HD13 LEU A 82 13.342 -3.646 1.893 1.00 12.48 H new ATOM 0 HD21 LEU A 82 11.809 -1.484 0.332 1.00 12.61 H new ATOM 0 HD22 LEU A 82 11.546 -1.831 2.058 1.00 12.61 H new ATOM 0 HD23 LEU A 82 11.953 -0.180 1.534 1.00 12.61 H new ATOM 1273 N ASP A 83 15.535 -2.615 4.813 1.00 12.07 N ATOM 1274 CA ASP A 83 16.087 -3.699 5.610 1.00 12.45 C ATOM 1275 C ASP A 83 16.175 -4.975 4.783 1.00 12.57 C ATOM 1276 O ASP A 83 15.466 -5.138 3.790 1.00 13.12 O ATOM 1277 CB ASP A 83 15.246 -3.945 6.863 1.00 12.62 C ATOM 1278 CG ASP A 83 15.916 -4.919 7.811 1.00 13.10 C ATOM 1279 OD1 ASP A 83 17.137 -4.788 8.036 1.00 13.59 O ATOM 1280 OD2 ASP A 83 15.237 -5.830 8.315 1.00 13.12 O ATOM 0 H ASP A 83 14.573 -2.365 5.042 1.00 12.07 H new ATOM 0 HA ASP A 83 17.090 -3.408 5.922 1.00 12.45 H new ATOM 0 HB2 ASP A 83 15.074 -2.999 7.376 1.00 12.62 H new ATOM 0 HB3 ASP A 83 14.269 -4.333 6.574 1.00 12.62 H new ATOM 1285 N PHE A 84 17.047 -5.878 5.196 1.00 12.22 N ATOM 1286 CA PHE A 84 17.233 -7.135 4.490 1.00 12.46 C ATOM 1287 C PHE A 84 16.102 -8.103 4.816 1.00 12.41 C ATOM 1288 O PHE A 84 15.860 -9.063 4.084 1.00 12.73 O ATOM 1289 CB PHE A 84 18.590 -7.740 4.848 1.00 12.51 C ATOM 1290 CG PHE A 84 19.729 -6.779 4.644 1.00 12.50 C ATOM 1291 CD1 PHE A 84 20.057 -6.338 3.373 1.00 12.69 C ATOM 1292 CD2 PHE A 84 20.459 -6.310 5.723 1.00 12.45 C ATOM 1293 CE1 PHE A 84 21.096 -5.447 3.180 1.00 12.83 C ATOM 1294 CE2 PHE A 84 21.500 -5.419 5.536 1.00 12.59 C ATOM 1295 CZ PHE A 84 21.819 -4.988 4.263 1.00 12.79 C ATOM 0 H PHE A 84 17.639 -5.764 6.019 1.00 12.22 H new ATOM 0 HA PHE A 84 17.213 -6.944 3.417 1.00 12.46 H new ATOM 0 HB2 PHE A 84 18.575 -8.063 5.889 1.00 12.51 H new ATOM 0 HB3 PHE A 84 18.758 -8.629 4.241 1.00 12.51 H new ATOM 0 HD1 PHE A 84 19.495 -6.694 2.523 1.00 12.69 H new ATOM 0 HD2 PHE A 84 20.213 -6.643 6.720 1.00 12.45 H new ATOM 0 HE1 PHE A 84 21.342 -5.110 2.184 1.00 12.83 H new ATOM 0 HE2 PHE A 84 22.063 -5.060 6.385 1.00 12.59 H new ATOM 0 HZ PHE A 84 22.633 -4.293 4.115 1.00 12.79 H new ATOM 1305 N GLY A 85 15.395 -7.829 5.907 1.00 12.18 N ATOM 1306 CA GLY A 85 14.249 -8.636 6.279 1.00 12.33 C ATOM 1307 C GLY A 85 12.959 -8.083 5.704 1.00 12.00 C ATOM 1308 O GLY A 85 11.872 -8.365 6.210 1.00 12.39 O ATOM 0 H GLY A 85 15.597 -7.058 6.543 1.00 12.18 H new ATOM 0 HA2 GLY A 85 14.395 -9.658 5.928 1.00 12.33 H new ATOM 0 HA3 GLY A 85 14.173 -8.680 7.365 1.00 12.33 H new ATOM 1312 N VAL A 86 13.093 -7.296 4.640 1.00 11.43 N ATOM 1313 CA VAL A 86 11.955 -6.680 3.968 1.00 11.18 C ATOM 1314 C VAL A 86 10.895 -7.719 3.598 1.00 11.50 C ATOM 1315 O VAL A 86 11.211 -8.815 3.122 1.00 11.42 O ATOM 1316 CB VAL A 86 12.403 -5.918 2.699 1.00 10.44 C ATOM 1317 CG1 VAL A 86 13.234 -6.815 1.790 1.00 10.36 C ATOM 1318 CG2 VAL A 86 11.206 -5.350 1.947 1.00 10.15 C ATOM 0 H VAL A 86 13.994 -7.068 4.220 1.00 11.43 H new ATOM 0 HA VAL A 86 11.515 -5.970 4.669 1.00 11.18 H new ATOM 0 HB VAL A 86 13.027 -5.083 3.017 1.00 10.44 H new ATOM 0 HG11 VAL A 86 13.537 -6.256 0.905 1.00 10.36 H new ATOM 0 HG12 VAL A 86 14.121 -7.154 2.326 1.00 10.36 H new ATOM 0 HG13 VAL A 86 12.640 -7.678 1.488 1.00 10.36 H new ATOM 0 HG21 VAL A 86 11.552 -4.820 1.060 1.00 10.15 H new ATOM 0 HG22 VAL A 86 10.544 -6.163 1.649 1.00 10.15 H new ATOM 0 HG23 VAL A 86 10.664 -4.660 2.594 1.00 10.15 H new ATOM 1328 N SER A 87 9.640 -7.369 3.834 1.00 12.04 N ATOM 1329 CA SER A 87 8.520 -8.251 3.545 1.00 12.55 C ATOM 1330 C SER A 87 7.356 -7.401 3.072 1.00 12.18 C ATOM 1331 O SER A 87 7.235 -6.261 3.508 1.00 11.57 O ATOM 1332 CB SER A 87 8.113 -9.057 4.777 1.00 13.39 C ATOM 1333 OG SER A 87 9.230 -9.339 5.605 1.00 13.46 O ATOM 0 H SER A 87 9.370 -6.469 4.230 1.00 12.04 H new ATOM 0 HA SER A 87 8.814 -8.962 2.773 1.00 12.55 H new ATOM 0 HB2 SER A 87 7.367 -8.502 5.346 1.00 13.39 H new ATOM 0 HB3 SER A 87 7.645 -9.991 4.464 1.00 13.39 H new ATOM 0 HG SER A 87 8.937 -9.854 6.385 1.00 13.46 H new ATOM 1339 N ASP A 88 6.523 -7.905 2.172 1.00 12.66 N ATOM 1340 CA ASP A 88 5.284 -7.201 1.825 1.00 12.44 C ATOM 1341 C ASP A 88 4.490 -6.815 3.075 1.00 12.35 C ATOM 1342 O ASP A 88 3.960 -5.707 3.161 1.00 11.82 O ATOM 1343 CB ASP A 88 4.422 -8.046 0.875 1.00 13.21 C ATOM 1344 CG ASP A 88 3.547 -9.050 1.598 1.00 13.68 C ATOM 1345 OD1 ASP A 88 4.092 -10.022 2.164 1.00 13.63 O ATOM 1346 OD2 ASP A 88 2.310 -8.874 1.592 1.00 14.23 O ATOM 0 H ASP A 88 6.673 -8.782 1.674 1.00 12.66 H new ATOM 0 HA ASP A 88 5.562 -6.281 1.311 1.00 12.44 H new ATOM 0 HB2 ASP A 88 3.791 -7.384 0.282 1.00 13.21 H new ATOM 0 HB3 ASP A 88 5.072 -8.575 0.178 1.00 13.21 H new ATOM 1351 N ALA A 89 4.436 -7.716 4.050 1.00 13.02 N ATOM 1352 CA ALA A 89 3.738 -7.451 5.299 1.00 13.24 C ATOM 1353 C ALA A 89 4.483 -6.415 6.133 1.00 12.75 C ATOM 1354 O ALA A 89 3.867 -5.601 6.815 1.00 12.82 O ATOM 1355 CB ALA A 89 3.552 -8.739 6.086 1.00 14.29 C ATOM 0 H ALA A 89 4.869 -8.638 3.997 1.00 13.02 H new ATOM 0 HA ALA A 89 2.755 -7.045 5.059 1.00 13.24 H new ATOM 0 HB1 ALA A 89 3.028 -8.524 7.017 1.00 14.29 H new ATOM 0 HB2 ALA A 89 2.967 -9.445 5.496 1.00 14.29 H new ATOM 0 HB3 ALA A 89 4.527 -9.173 6.310 1.00 14.29 H new ATOM 1361 N ASP A 90 5.810 -6.451 6.079 1.00 12.38 N ATOM 1362 CA ASP A 90 6.641 -5.488 6.801 1.00 12.03 C ATOM 1363 C ASP A 90 6.532 -4.100 6.168 1.00 11.35 C ATOM 1364 O ASP A 90 6.416 -3.094 6.868 1.00 11.52 O ATOM 1365 CB ASP A 90 8.101 -5.971 6.832 1.00 11.82 C ATOM 1366 CG ASP A 90 9.118 -4.877 6.553 1.00 12.43 C ATOM 1367 OD1 ASP A 90 9.411 -4.090 7.477 1.00 12.67 O ATOM 1368 OD2 ASP A 90 9.605 -4.788 5.403 1.00 12.76 O ATOM 0 H ASP A 90 6.337 -7.139 5.541 1.00 12.38 H new ATOM 0 HA ASP A 90 6.283 -5.413 7.828 1.00 12.03 H new ATOM 0 HB2 ASP A 90 8.309 -6.406 7.810 1.00 11.82 H new ATOM 0 HB3 ASP A 90 8.226 -6.766 6.097 1.00 11.82 H new ATOM 1373 N ILE A 91 6.555 -4.061 4.844 1.00 10.74 N ATOM 1374 CA ILE A 91 6.379 -2.815 4.111 1.00 10.19 C ATOM 1375 C ILE A 91 5.000 -2.226 4.397 1.00 10.43 C ATOM 1376 O ILE A 91 4.878 -1.045 4.729 1.00 10.36 O ATOM 1377 CB ILE A 91 6.576 -3.019 2.590 1.00 9.70 C ATOM 1378 CG1 ILE A 91 8.065 -3.173 2.276 1.00 9.11 C ATOM 1379 CG2 ILE A 91 5.994 -1.855 1.801 1.00 9.94 C ATOM 1380 CD1 ILE A 91 8.904 -2.003 2.748 1.00 9.17 C ATOM 0 H ILE A 91 6.694 -4.881 4.253 1.00 10.74 H new ATOM 0 HA ILE A 91 7.142 -2.115 4.451 1.00 10.19 H new ATOM 0 HB ILE A 91 6.048 -3.926 2.295 1.00 9.70 H new ATOM 0 HG12 ILE A 91 8.434 -4.087 2.742 1.00 9.11 H new ATOM 0 HG13 ILE A 91 8.191 -3.290 1.200 1.00 9.11 H new ATOM 0 HG21 ILE A 91 6.147 -2.025 0.735 1.00 9.94 H new ATOM 0 HG22 ILE A 91 4.927 -1.774 2.006 1.00 9.94 H new ATOM 0 HG23 ILE A 91 6.491 -0.931 2.096 1.00 9.94 H new ATOM 0 HD11 ILE A 91 9.949 -2.178 2.493 1.00 9.17 H new ATOM 0 HD12 ILE A 91 8.560 -1.090 2.263 1.00 9.17 H new ATOM 0 HD13 ILE A 91 8.807 -1.898 3.829 1.00 9.17 H new ATOM 1392 N GLN A 92 3.964 -3.050 4.259 1.00 10.89 N ATOM 1393 CA GLN A 92 2.617 -2.660 4.661 1.00 11.26 C ATOM 1394 C GLN A 92 2.607 -2.168 6.105 1.00 11.84 C ATOM 1395 O GLN A 92 1.987 -1.161 6.415 1.00 11.95 O ATOM 1396 CB GLN A 92 1.644 -3.830 4.502 1.00 11.85 C ATOM 1397 CG GLN A 92 0.186 -3.408 4.547 1.00 12.25 C ATOM 1398 CD GLN A 92 -0.767 -4.583 4.585 1.00 13.23 C ATOM 1399 OE1 GLN A 92 -1.578 -4.768 3.678 1.00 13.70 O ATOM 1400 NE2 GLN A 92 -0.695 -5.372 5.642 1.00 13.70 N ATOM 0 H GLN A 92 4.032 -3.991 3.872 1.00 10.89 H new ATOM 0 HA GLN A 92 2.295 -1.847 4.011 1.00 11.26 H new ATOM 0 HB2 GLN A 92 1.841 -4.331 3.554 1.00 11.85 H new ATOM 0 HB3 GLN A 92 1.829 -4.558 5.292 1.00 11.85 H new ATOM 0 HG2 GLN A 92 0.021 -2.784 5.425 1.00 12.25 H new ATOM 0 HG3 GLN A 92 -0.036 -2.795 3.674 1.00 12.25 H new ATOM 0 HE21 GLN A 92 -0.008 -5.185 6.373 1.00 13.70 H new ATOM 0 HE22 GLN A 92 -1.326 -6.169 5.728 1.00 13.70 H new ATOM 1409 N GLU A 93 3.325 -2.876 6.964 1.00 12.34 N ATOM 1410 CA GLU A 93 3.416 -2.514 8.374 1.00 13.06 C ATOM 1411 C GLU A 93 4.001 -1.111 8.518 1.00 12.81 C ATOM 1412 O GLU A 93 3.446 -0.260 9.219 1.00 13.39 O ATOM 1413 CB GLU A 93 4.265 -3.523 9.150 1.00 13.62 C ATOM 1414 CG GLU A 93 3.737 -3.819 10.547 1.00 14.57 C ATOM 1415 CD GLU A 93 2.226 -3.922 10.590 1.00 15.36 C ATOM 1416 OE1 GLU A 93 1.681 -4.966 10.170 1.00 15.72 O ATOM 1417 OE2 GLU A 93 1.575 -2.962 11.049 1.00 15.75 O ATOM 0 H GLU A 93 3.856 -3.709 6.709 1.00 12.34 H new ATOM 0 HA GLU A 93 2.410 -2.527 8.794 1.00 13.06 H new ATOM 0 HB2 GLU A 93 4.315 -4.454 8.585 1.00 13.62 H new ATOM 0 HB3 GLU A 93 5.284 -3.143 9.229 1.00 13.62 H new ATOM 0 HG2 GLU A 93 4.171 -4.752 10.905 1.00 14.57 H new ATOM 0 HG3 GLU A 93 4.063 -3.033 11.229 1.00 14.57 H new ATOM 1424 N LEU A 94 5.107 -0.873 7.822 1.00 12.08 N ATOM 1425 CA LEU A 94 5.779 0.420 7.836 1.00 11.97 C ATOM 1426 C LEU A 94 4.842 1.530 7.385 1.00 11.94 C ATOM 1427 O LEU A 94 4.686 2.543 8.061 1.00 12.57 O ATOM 1428 CB LEU A 94 6.989 0.396 6.904 1.00 11.31 C ATOM 1429 CG LEU A 94 8.292 -0.105 7.526 1.00 11.47 C ATOM 1430 CD1 LEU A 94 9.138 -0.816 6.482 1.00 11.42 C ATOM 1431 CD2 LEU A 94 9.067 1.052 8.139 1.00 11.53 C ATOM 0 H LEU A 94 5.562 -1.570 7.233 1.00 12.08 H new ATOM 0 HA LEU A 94 6.098 0.614 8.860 1.00 11.97 H new ATOM 0 HB2 LEU A 94 6.752 -0.233 6.046 1.00 11.31 H new ATOM 0 HB3 LEU A 94 7.153 1.405 6.524 1.00 11.31 H new ATOM 0 HG LEU A 94 8.048 -0.815 8.316 1.00 11.47 H new ATOM 0 HD11 LEU A 94 10.063 -1.167 6.940 1.00 11.42 H new ATOM 0 HD12 LEU A 94 8.585 -1.667 6.083 1.00 11.42 H new ATOM 0 HD13 LEU A 94 9.374 -0.125 5.673 1.00 11.42 H new ATOM 0 HD21 LEU A 94 9.992 0.678 8.578 1.00 11.53 H new ATOM 0 HD22 LEU A 94 9.302 1.783 7.365 1.00 11.53 H new ATOM 0 HD23 LEU A 94 8.463 1.525 8.914 1.00 11.53 H new ATOM 1443 N PHE A 95 4.207 1.325 6.245 1.00 11.31 N ATOM 1444 CA PHE A 95 3.416 2.377 5.628 1.00 11.29 C ATOM 1445 C PHE A 95 2.046 2.530 6.279 1.00 11.98 C ATOM 1446 O PHE A 95 1.527 3.640 6.376 1.00 12.28 O ATOM 1447 CB PHE A 95 3.298 2.153 4.125 1.00 10.57 C ATOM 1448 CG PHE A 95 4.240 3.034 3.361 1.00 10.24 C ATOM 1449 CD1 PHE A 95 5.523 2.602 3.069 1.00 9.80 C ATOM 1450 CD2 PHE A 95 3.832 4.277 2.906 1.00 10.59 C ATOM 1451 CE1 PHE A 95 6.385 3.397 2.344 1.00 9.76 C ATOM 1452 CE2 PHE A 95 4.690 5.074 2.176 1.00 10.56 C ATOM 1453 CZ PHE A 95 5.996 4.694 2.000 1.00 10.20 C ATOM 0 H PHE A 95 4.222 0.445 5.729 1.00 11.31 H new ATOM 0 HA PHE A 95 3.943 3.317 5.792 1.00 11.29 H new ATOM 0 HB2 PHE A 95 3.508 1.109 3.894 1.00 10.57 H new ATOM 0 HB3 PHE A 95 2.275 2.350 3.806 1.00 10.57 H new ATOM 0 HD1 PHE A 95 5.852 1.632 3.413 1.00 9.80 H new ATOM 0 HD2 PHE A 95 2.833 4.626 3.125 1.00 10.59 H new ATOM 0 HE1 PHE A 95 7.352 3.021 2.045 1.00 9.76 H new ATOM 0 HE2 PHE A 95 4.333 5.997 1.743 1.00 10.56 H new ATOM 0 HZ PHE A 95 6.717 5.391 1.599 1.00 10.20 H new ATOM 1463 N ALA A 96 1.454 1.428 6.723 1.00 12.37 N ATOM 1464 CA ALA A 96 0.241 1.498 7.535 1.00 13.23 C ATOM 1465 C ALA A 96 0.505 2.301 8.806 1.00 14.04 C ATOM 1466 O ALA A 96 -0.393 2.940 9.355 1.00 14.68 O ATOM 1467 CB ALA A 96 -0.266 0.110 7.882 1.00 13.64 C ATOM 0 H ALA A 96 1.789 0.482 6.538 1.00 12.37 H new ATOM 0 HA ALA A 96 -0.530 2.001 6.952 1.00 13.23 H new ATOM 0 HB1 ALA A 96 -1.169 0.193 8.486 1.00 13.64 H new ATOM 0 HB2 ALA A 96 -0.492 -0.435 6.965 1.00 13.64 H new ATOM 0 HB3 ALA A 96 0.498 -0.427 8.444 1.00 13.64 H new ATOM 1473 N GLU A 97 1.756 2.273 9.253 1.00 14.09 N ATOM 1474 CA GLU A 97 2.185 3.077 10.386 1.00 14.82 C ATOM 1475 C GLU A 97 2.417 4.512 9.925 1.00 14.74 C ATOM 1476 O GLU A 97 2.045 5.468 10.605 1.00 15.58 O ATOM 1477 CB GLU A 97 3.466 2.506 10.997 1.00 14.74 C ATOM 1478 CG GLU A 97 3.620 2.792 12.481 1.00 15.73 C ATOM 1479 CD GLU A 97 4.439 4.037 12.754 1.00 16.14 C ATOM 1480 OE1 GLU A 97 5.685 3.957 12.718 1.00 16.03 O ATOM 1481 OE2 GLU A 97 3.839 5.104 13.005 1.00 16.68 O ATOM 0 H GLU A 97 2.492 1.698 8.844 1.00 14.09 H new ATOM 0 HA GLU A 97 1.407 3.060 11.150 1.00 14.82 H new ATOM 0 HB2 GLU A 97 3.482 1.427 10.841 1.00 14.74 H new ATOM 0 HB3 GLU A 97 4.325 2.917 10.467 1.00 14.74 H new ATOM 0 HG2 GLU A 97 2.633 2.906 12.929 1.00 15.73 H new ATOM 0 HG3 GLU A 97 4.093 1.937 12.964 1.00 15.73 H new ATOM 1488 N PHE A 98 2.990 4.641 8.733 1.00 13.84 N ATOM 1489 CA PHE A 98 3.329 5.936 8.156 1.00 13.78 C ATOM 1490 C PHE A 98 2.081 6.756 7.841 1.00 14.08 C ATOM 1491 O PHE A 98 2.132 7.984 7.806 1.00 14.23 O ATOM 1492 CB PHE A 98 4.140 5.742 6.872 1.00 12.84 C ATOM 1493 CG PHE A 98 5.606 5.487 7.095 1.00 12.77 C ATOM 1494 CD1 PHE A 98 6.245 5.944 8.237 1.00 12.86 C ATOM 1495 CD2 PHE A 98 6.347 4.793 6.151 1.00 12.76 C ATOM 1496 CE1 PHE A 98 7.593 5.712 8.434 1.00 12.95 C ATOM 1497 CE2 PHE A 98 7.695 4.560 6.342 1.00 12.87 C ATOM 1498 CZ PHE A 98 8.319 5.020 7.484 1.00 12.97 C ATOM 0 H PHE A 98 3.233 3.848 8.139 1.00 13.84 H new ATOM 0 HA PHE A 98 3.920 6.479 8.893 1.00 13.78 H new ATOM 0 HB2 PHE A 98 3.719 4.906 6.314 1.00 12.84 H new ATOM 0 HB3 PHE A 98 4.029 6.629 6.249 1.00 12.84 H new ATOM 0 HD1 PHE A 98 5.683 6.488 8.982 1.00 12.86 H new ATOM 0 HD2 PHE A 98 5.864 4.430 5.255 1.00 12.76 H new ATOM 0 HE1 PHE A 98 8.078 6.071 9.329 1.00 12.95 H new ATOM 0 HE2 PHE A 98 8.260 4.018 5.598 1.00 12.87 H new ATOM 0 HZ PHE A 98 9.373 4.839 7.635 1.00 12.97 H new ATOM 1508 N GLY A 99 0.967 6.075 7.605 1.00 14.25 N ATOM 1509 CA GLY A 99 -0.258 6.766 7.257 1.00 14.54 C ATOM 1510 C GLY A 99 -1.313 5.846 6.682 1.00 14.14 C ATOM 1511 O GLY A 99 -2.029 5.174 7.425 1.00 14.45 O ATOM 0 H GLY A 99 0.890 5.059 7.648 1.00 14.25 H new ATOM 0 HA2 GLY A 99 -0.657 7.257 8.145 1.00 14.54 H new ATOM 0 HA3 GLY A 99 -0.034 7.550 6.533 1.00 14.54 H new ATOM 1515 N THR A 100 -1.408 5.817 5.362 1.00 13.58 N ATOM 1516 CA THR A 100 -2.411 5.017 4.674 1.00 13.32 C ATOM 1517 C THR A 100 -1.741 3.948 3.821 1.00 12.31 C ATOM 1518 O THR A 100 -0.544 4.039 3.547 1.00 11.75 O ATOM 1519 CB THR A 100 -3.317 5.892 3.788 1.00 13.60 C ATOM 1520 OG1 THR A 100 -2.972 7.273 3.957 1.00 14.03 O ATOM 1521 CG2 THR A 100 -4.782 5.689 4.143 1.00 14.35 C ATOM 0 H THR A 100 -0.796 6.344 4.739 1.00 13.58 H new ATOM 0 HA THR A 100 -3.031 4.540 5.434 1.00 13.32 H new ATOM 0 HB THR A 100 -3.167 5.599 2.749 1.00 13.60 H new ATOM 0 HG1 THR A 100 -3.156 7.760 3.127 1.00 14.03 H new ATOM 0 HG21 THR A 100 -5.402 6.318 3.504 1.00 14.35 H new ATOM 0 HG22 THR A 100 -5.051 4.643 3.994 1.00 14.35 H new ATOM 0 HG23 THR A 100 -4.945 5.960 5.186 1.00 14.35 H new ATOM 1529 N LEU A 101 -2.513 2.950 3.398 1.00 12.24 N ATOM 1530 CA LEU A 101 -1.981 1.810 2.676 1.00 11.47 C ATOM 1531 C LEU A 101 -3.099 0.823 2.373 1.00 11.61 C ATOM 1532 O LEU A 101 -3.789 0.365 3.287 1.00 12.28 O ATOM 1533 CB LEU A 101 -0.889 1.119 3.495 1.00 11.39 C ATOM 1534 CG LEU A 101 0.443 0.915 2.775 1.00 10.65 C ATOM 1535 CD1 LEU A 101 0.719 -0.558 2.625 1.00 10.24 C ATOM 1536 CD2 LEU A 101 0.447 1.591 1.416 1.00 10.45 C ATOM 0 H LEU A 101 -3.521 2.914 3.548 1.00 12.24 H new ATOM 0 HA LEU A 101 -1.546 2.162 1.741 1.00 11.47 H new ATOM 0 HB2 LEU A 101 -0.709 1.705 4.396 1.00 11.39 H new ATOM 0 HB3 LEU A 101 -1.261 0.146 3.817 1.00 11.39 H new ATOM 0 HG LEU A 101 1.229 1.373 3.375 1.00 10.65 H new ATOM 0 HD11 LEU A 101 1.670 -0.700 2.111 1.00 10.24 H new ATOM 0 HD12 LEU A 101 0.767 -1.021 3.610 1.00 10.24 H new ATOM 0 HD13 LEU A 101 -0.079 -1.021 2.045 1.00 10.24 H new ATOM 0 HD21 LEU A 101 1.409 1.426 0.931 1.00 10.45 H new ATOM 0 HD22 LEU A 101 -0.347 1.172 0.799 1.00 10.45 H new ATOM 0 HD23 LEU A 101 0.282 2.661 1.541 1.00 10.45 H new ATOM 1548 N LYS A 102 -3.289 0.491 1.102 1.00 11.11 N ATOM 1549 CA LYS A 102 -4.314 -0.467 0.715 1.00 11.26 C ATOM 1550 C LYS A 102 -3.700 -1.589 -0.115 1.00 11.16 C ATOM 1551 O LYS A 102 -4.349 -2.598 -0.392 1.00 11.79 O ATOM 1552 CB LYS A 102 -5.420 0.219 -0.080 1.00 10.93 C ATOM 1553 CG LYS A 102 -6.813 -0.241 0.315 1.00 11.36 C ATOM 1554 CD LYS A 102 -7.425 -1.142 -0.742 1.00 11.57 C ATOM 1555 CE LYS A 102 -8.486 -0.415 -1.551 1.00 12.20 C ATOM 1556 NZ LYS A 102 -7.900 0.663 -2.386 1.00 12.64 N ATOM 0 H LYS A 102 -2.748 0.870 0.325 1.00 11.11 H new ATOM 0 HA LYS A 102 -4.747 -0.889 1.622 1.00 11.26 H new ATOM 0 HB2 LYS A 102 -5.346 1.297 0.063 1.00 10.93 H new ATOM 0 HB3 LYS A 102 -5.268 0.027 -1.142 1.00 10.93 H new ATOM 0 HG2 LYS A 102 -6.765 -0.774 1.265 1.00 11.36 H new ATOM 0 HG3 LYS A 102 -7.454 0.627 0.469 1.00 11.36 H new ATOM 0 HD2 LYS A 102 -6.643 -1.504 -1.409 1.00 11.57 H new ATOM 0 HD3 LYS A 102 -7.867 -2.016 -0.264 1.00 11.57 H new ATOM 0 HE2 LYS A 102 -9.007 -1.127 -2.190 1.00 12.20 H new ATOM 0 HE3 LYS A 102 -9.229 0.011 -0.877 1.00 12.20 H new ATOM 0 HZ1 LYS A 102 -8.664 1.222 -2.817 1.00 12.64 H new ATOM 0 HZ2 LYS A 102 -7.311 1.281 -1.792 1.00 12.64 H new ATOM 0 HZ3 LYS A 102 -7.314 0.242 -3.135 1.00 12.64 H new ATOM 1570 N LYS A 103 -2.435 -1.402 -0.492 1.00 10.53 N ATOM 1571 CA LYS A 103 -1.703 -2.458 -1.197 1.00 10.59 C ATOM 1572 C LYS A 103 -0.225 -2.141 -1.339 1.00 10.09 C ATOM 1573 O LYS A 103 0.165 -1.338 -2.176 1.00 9.59 O ATOM 1574 CB LYS A 103 -2.315 -2.780 -2.569 1.00 10.70 C ATOM 1575 CG LYS A 103 -2.645 -1.572 -3.427 1.00 10.37 C ATOM 1576 CD LYS A 103 -2.428 -1.860 -4.910 1.00 10.76 C ATOM 1577 CE LYS A 103 -2.904 -3.253 -5.294 1.00 11.04 C ATOM 1578 NZ LYS A 103 -4.386 -3.352 -5.281 1.00 12.01 N ATOM 0 H LYS A 103 -1.903 -0.548 -0.326 1.00 10.53 H new ATOM 0 HA LYS A 103 -1.796 -3.347 -0.573 1.00 10.59 H new ATOM 0 HB2 LYS A 103 -1.622 -3.418 -3.118 1.00 10.70 H new ATOM 0 HB3 LYS A 103 -3.227 -3.358 -2.416 1.00 10.70 H new ATOM 0 HG2 LYS A 103 -3.682 -1.279 -3.261 1.00 10.37 H new ATOM 0 HG3 LYS A 103 -2.023 -0.729 -3.125 1.00 10.37 H new ATOM 0 HD2 LYS A 103 -2.960 -1.118 -5.505 1.00 10.76 H new ATOM 0 HD3 LYS A 103 -1.369 -1.760 -5.148 1.00 10.76 H new ATOM 0 HE2 LYS A 103 -2.532 -3.504 -6.287 1.00 11.04 H new ATOM 0 HE3 LYS A 103 -2.485 -3.984 -4.603 1.00 11.04 H new ATOM 0 HZ1 LYS A 103 -4.672 -4.316 -5.548 1.00 12.01 H new ATOM 0 HZ2 LYS A 103 -4.740 -3.138 -4.327 1.00 12.01 H new ATOM 0 HZ3 LYS A 103 -4.785 -2.672 -5.959 1.00 12.01 H new ATOM 1592 N ALA A 104 0.596 -2.752 -0.503 1.00 10.38 N ATOM 1593 CA ALA A 104 2.030 -2.733 -0.728 1.00 10.01 C ATOM 1594 C ALA A 104 2.502 -4.084 -1.248 1.00 10.44 C ATOM 1595 O ALA A 104 2.504 -5.081 -0.525 1.00 10.99 O ATOM 1596 CB ALA A 104 2.774 -2.335 0.537 1.00 9.89 C ATOM 0 H ALA A 104 0.299 -3.262 0.329 1.00 10.38 H new ATOM 0 HA ALA A 104 2.252 -1.982 -1.487 1.00 10.01 H new ATOM 0 HB1 ALA A 104 3.846 -2.328 0.342 1.00 9.89 H new ATOM 0 HB2 ALA A 104 2.456 -1.340 0.848 1.00 9.89 H new ATOM 0 HB3 ALA A 104 2.554 -3.051 1.329 1.00 9.89 H new ATOM 1602 N ALA A 105 2.890 -4.097 -2.511 1.00 10.39 N ATOM 1603 CA ALA A 105 3.366 -5.301 -3.174 1.00 10.98 C ATOM 1604 C ALA A 105 4.875 -5.231 -3.295 1.00 10.79 C ATOM 1605 O ALA A 105 5.448 -4.169 -3.107 1.00 10.39 O ATOM 1606 CB ALA A 105 2.728 -5.439 -4.546 1.00 11.52 C ATOM 0 H ALA A 105 2.884 -3.271 -3.109 1.00 10.39 H new ATOM 0 HA ALA A 105 3.088 -6.175 -2.585 1.00 10.98 H new ATOM 0 HB1 ALA A 105 3.095 -6.345 -5.028 1.00 11.52 H new ATOM 0 HB2 ALA A 105 1.645 -5.498 -4.439 1.00 11.52 H new ATOM 0 HB3 ALA A 105 2.986 -4.573 -5.156 1.00 11.52 H new ATOM 1612 N VAL A 106 5.528 -6.334 -3.624 1.00 11.23 N ATOM 1613 CA VAL A 106 6.982 -6.359 -3.609 1.00 11.21 C ATOM 1614 C VAL A 106 7.551 -6.711 -4.979 1.00 11.93 C ATOM 1615 O VAL A 106 7.044 -7.583 -5.689 1.00 12.59 O ATOM 1616 CB VAL A 106 7.514 -7.322 -2.527 1.00 11.39 C ATOM 1617 CG1 VAL A 106 9.032 -7.442 -2.581 1.00 10.93 C ATOM 1618 CG2 VAL A 106 7.064 -6.833 -1.165 1.00 11.99 C ATOM 0 H VAL A 106 5.084 -7.210 -3.900 1.00 11.23 H new ATOM 0 HA VAL A 106 7.320 -5.353 -3.360 1.00 11.21 H new ATOM 0 HB VAL A 106 7.108 -8.316 -2.713 1.00 11.39 H new ATOM 0 HG11 VAL A 106 9.371 -8.128 -1.805 1.00 10.93 H new ATOM 0 HG12 VAL A 106 9.332 -7.822 -3.557 1.00 10.93 H new ATOM 0 HG13 VAL A 106 9.480 -6.462 -2.420 1.00 10.93 H new ATOM 0 HG21 VAL A 106 7.436 -7.508 -0.395 1.00 11.99 H new ATOM 0 HG22 VAL A 106 7.457 -5.831 -0.990 1.00 11.99 H new ATOM 0 HG23 VAL A 106 5.975 -6.807 -1.129 1.00 11.99 H new ATOM 1628 N ASP A 107 8.612 -6.006 -5.324 1.00 11.95 N ATOM 1629 CA ASP A 107 9.252 -6.149 -6.618 1.00 12.77 C ATOM 1630 C ASP A 107 10.650 -6.728 -6.472 1.00 13.21 C ATOM 1631 O ASP A 107 11.492 -6.189 -5.752 1.00 12.80 O ATOM 1632 CB ASP A 107 9.318 -4.805 -7.341 1.00 12.61 C ATOM 1633 CG ASP A 107 9.158 -4.952 -8.837 1.00 13.52 C ATOM 1634 OD1 ASP A 107 8.475 -5.898 -9.277 1.00 13.74 O ATOM 1635 OD2 ASP A 107 9.710 -4.117 -9.587 1.00 14.12 O ATOM 0 H ASP A 107 9.055 -5.318 -4.715 1.00 11.95 H new ATOM 0 HA ASP A 107 8.651 -6.838 -7.211 1.00 12.77 H new ATOM 0 HB2 ASP A 107 8.537 -4.149 -6.957 1.00 12.61 H new ATOM 0 HB3 ASP A 107 10.272 -4.325 -7.125 1.00 12.61 H new ATOM 1640 N TYR A 108 10.868 -7.851 -7.128 1.00 14.11 N ATOM 1641 CA TYR A 108 12.182 -8.467 -7.169 1.00 14.67 C ATOM 1642 C TYR A 108 13.062 -7.738 -8.177 1.00 15.44 C ATOM 1643 O TYR A 108 12.590 -6.837 -8.881 1.00 15.72 O ATOM 1644 CB TYR A 108 12.061 -9.952 -7.516 1.00 15.38 C ATOM 1645 CG TYR A 108 11.702 -10.813 -6.324 1.00 14.91 C ATOM 1646 CD1 TYR A 108 10.543 -10.581 -5.599 1.00 15.00 C ATOM 1647 CD2 TYR A 108 12.520 -11.867 -5.933 1.00 14.54 C ATOM 1648 CE1 TYR A 108 10.208 -11.372 -4.518 1.00 14.74 C ATOM 1649 CE2 TYR A 108 12.191 -12.662 -4.852 1.00 14.26 C ATOM 1650 CZ TYR A 108 11.048 -12.378 -4.122 1.00 14.37 C ATOM 1651 OH TYR A 108 10.698 -13.205 -3.076 1.00 14.27 O ATOM 0 H TYR A 108 10.148 -8.359 -7.643 1.00 14.11 H new ATOM 0 HA TYR A 108 12.647 -8.389 -6.186 1.00 14.67 H new ATOM 0 HB2 TYR A 108 11.303 -10.078 -8.289 1.00 15.38 H new ATOM 0 HB3 TYR A 108 13.005 -10.299 -7.936 1.00 15.38 H new ATOM 0 HD1 TYR A 108 9.892 -9.768 -5.885 1.00 15.00 H new ATOM 0 HD2 TYR A 108 13.427 -12.068 -6.483 1.00 14.54 H new ATOM 0 HE1 TYR A 108 9.285 -11.197 -3.986 1.00 14.74 H new ATOM 0 HE2 TYR A 108 12.819 -13.497 -4.578 1.00 14.26 H new ATOM 0 HH TYR A 108 11.408 -13.864 -2.929 1.00 14.27 H new ATOM 1661 N ASP A 109 14.327 -8.119 -8.263 1.00 15.88 N ATOM 1662 CA ASP A 109 15.271 -7.406 -9.110 1.00 16.70 C ATOM 1663 C ASP A 109 15.107 -7.845 -10.564 1.00 17.75 C ATOM 1664 O ASP A 109 14.452 -8.847 -10.846 1.00 17.90 O ATOM 1665 CB ASP A 109 16.709 -7.623 -8.598 1.00 16.70 C ATOM 1666 CG ASP A 109 17.626 -8.316 -9.589 1.00 17.47 C ATOM 1667 OD1 ASP A 109 18.262 -7.623 -10.400 1.00 18.07 O ATOM 1668 OD2 ASP A 109 17.715 -9.561 -9.559 1.00 17.54 O ATOM 0 H ASP A 109 14.722 -8.913 -7.760 1.00 15.88 H new ATOM 0 HA ASP A 109 15.065 -6.336 -9.066 1.00 16.70 H new ATOM 0 HB2 ASP A 109 17.139 -6.656 -8.337 1.00 16.70 H new ATOM 0 HB3 ASP A 109 16.671 -8.213 -7.682 1.00 16.70 H new ATOM 1673 N ARG A 110 15.697 -7.085 -11.481 1.00 18.56 N ATOM 1674 CA ARG A 110 15.562 -7.346 -12.912 1.00 19.67 C ATOM 1675 C ARG A 110 16.118 -8.722 -13.284 1.00 20.06 C ATOM 1676 O ARG A 110 15.711 -9.318 -14.283 1.00 20.72 O ATOM 1677 CB ARG A 110 16.277 -6.256 -13.711 1.00 20.52 C ATOM 1678 CG ARG A 110 15.834 -4.849 -13.345 1.00 20.56 C ATOM 1679 CD ARG A 110 16.533 -3.804 -14.197 1.00 20.89 C ATOM 1680 NE ARG A 110 15.597 -3.096 -15.069 1.00 21.05 N ATOM 1681 CZ ARG A 110 15.720 -3.028 -16.394 1.00 21.24 C ATOM 1682 NH1 ARG A 110 16.738 -3.625 -17.003 1.00 21.27 N ATOM 1683 NH2 ARG A 110 14.817 -2.372 -17.112 1.00 21.49 N ATOM 0 H ARG A 110 16.278 -6.277 -11.257 1.00 18.56 H new ATOM 0 HA ARG A 110 14.500 -7.337 -13.158 1.00 19.67 H new ATOM 0 HB2 ARG A 110 17.351 -6.344 -13.550 1.00 20.52 H new ATOM 0 HB3 ARG A 110 16.099 -6.420 -14.774 1.00 20.52 H new ATOM 0 HG2 ARG A 110 14.755 -4.762 -13.473 1.00 20.56 H new ATOM 0 HG3 ARG A 110 16.046 -4.662 -12.292 1.00 20.56 H new ATOM 0 HD2 ARG A 110 17.039 -3.088 -13.550 1.00 20.89 H new ATOM 0 HD3 ARG A 110 17.301 -4.284 -14.803 1.00 20.89 H new ATOM 0 HE ARG A 110 14.802 -2.626 -14.637 1.00 21.05 H new ATOM 0 HH11 ARG A 110 17.429 -4.138 -16.456 1.00 21.27 H new ATOM 0 HH12 ARG A 110 16.828 -3.570 -18.018 1.00 21.27 H new ATOM 0 HH21 ARG A 110 14.028 -1.920 -16.650 1.00 21.49 H new ATOM 0 HH22 ARG A 110 14.912 -2.320 -18.126 1.00 21.49 H new ATOM 1697 N SER A 111 17.038 -9.220 -12.470 1.00 19.71 N ATOM 1698 CA SER A 111 17.633 -10.532 -12.683 1.00 20.09 C ATOM 1699 C SER A 111 16.915 -11.608 -11.862 1.00 19.34 C ATOM 1700 O SER A 111 17.446 -12.701 -11.655 1.00 19.58 O ATOM 1701 CB SER A 111 19.117 -10.491 -12.317 1.00 20.36 C ATOM 1702 OG SER A 111 19.593 -9.152 -12.272 1.00 20.33 O ATOM 0 H SER A 111 17.391 -8.730 -11.648 1.00 19.71 H new ATOM 0 HA SER A 111 17.526 -10.790 -13.737 1.00 20.09 H new ATOM 0 HB2 SER A 111 19.270 -10.968 -11.349 1.00 20.36 H new ATOM 0 HB3 SER A 111 19.691 -11.061 -13.047 1.00 20.36 H new ATOM 0 HG SER A 111 19.261 -8.714 -11.461 1.00 20.33 H new ATOM 1708 N GLY A 112 15.704 -11.295 -11.404 1.00 18.52 N ATOM 1709 CA GLY A 112 14.906 -12.261 -10.669 1.00 17.87 C ATOM 1710 C GLY A 112 15.536 -12.701 -9.362 1.00 17.53 C ATOM 1711 O GLY A 112 15.427 -13.867 -8.980 1.00 17.59 O ATOM 0 H GLY A 112 15.261 -10.385 -11.530 1.00 18.52 H new ATOM 0 HA2 GLY A 112 13.927 -11.829 -10.463 1.00 17.87 H new ATOM 0 HA3 GLY A 112 14.742 -13.137 -11.297 1.00 17.87 H new ATOM 1715 N ARG A 113 16.210 -11.785 -8.691 1.00 17.30 N ATOM 1716 CA ARG A 113 16.780 -12.059 -7.381 1.00 17.14 C ATOM 1717 C ARG A 113 16.046 -11.256 -6.319 1.00 16.20 C ATOM 1718 O ARG A 113 15.248 -10.373 -6.649 1.00 16.37 O ATOM 1719 CB ARG A 113 18.264 -11.696 -7.368 1.00 17.48 C ATOM 1720 CG ARG A 113 19.139 -12.705 -6.651 1.00 18.02 C ATOM 1721 CD ARG A 113 20.184 -13.292 -7.581 1.00 18.53 C ATOM 1722 NE ARG A 113 20.827 -14.466 -7.001 1.00 18.76 N ATOM 1723 CZ ARG A 113 21.954 -14.427 -6.294 1.00 19.39 C ATOM 1724 NH1 ARG A 113 22.583 -13.273 -6.097 1.00 19.85 N ATOM 1725 NH2 ARG A 113 22.451 -15.543 -5.778 1.00 19.68 N ATOM 0 H ARG A 113 16.378 -10.839 -9.033 1.00 17.30 H new ATOM 0 HA ARG A 113 16.672 -13.122 -7.165 1.00 17.14 H new ATOM 0 HB2 ARG A 113 18.612 -11.594 -8.396 1.00 17.48 H new ATOM 0 HB3 ARG A 113 18.385 -10.723 -6.893 1.00 17.48 H new ATOM 0 HG2 ARG A 113 19.631 -12.226 -5.805 1.00 18.02 H new ATOM 0 HG3 ARG A 113 18.518 -13.505 -6.247 1.00 18.02 H new ATOM 0 HD2 ARG A 113 19.717 -13.564 -8.527 1.00 18.53 H new ATOM 0 HD3 ARG A 113 20.938 -12.537 -7.803 1.00 18.53 H new ATOM 0 HE ARG A 113 20.385 -15.374 -7.146 1.00 18.76 H new ATOM 0 HH11 ARG A 113 22.202 -12.411 -6.488 1.00 19.85 H new ATOM 0 HH12 ARG A 113 23.446 -13.249 -5.554 1.00 19.85 H new ATOM 0 HH21 ARG A 113 21.970 -16.430 -5.923 1.00 19.68 H new ATOM 0 HH22 ARG A 113 23.315 -15.514 -5.236 1.00 19.68 H new ATOM 1739 N SER A 114 16.304 -11.562 -5.047 1.00 15.31 N ATOM 1740 CA SER A 114 15.770 -10.770 -3.951 1.00 14.46 C ATOM 1741 C SER A 114 16.248 -9.326 -4.081 1.00 13.60 C ATOM 1742 O SER A 114 17.273 -9.061 -4.715 1.00 13.37 O ATOM 1743 CB SER A 114 16.209 -11.361 -2.611 1.00 14.66 C ATOM 1744 OG SER A 114 15.989 -12.764 -2.578 1.00 15.43 O ATOM 0 H SER A 114 16.879 -12.352 -4.756 1.00 15.31 H new ATOM 0 HA SER A 114 14.681 -10.786 -3.993 1.00 14.46 H new ATOM 0 HB2 SER A 114 17.266 -11.151 -2.445 1.00 14.66 H new ATOM 0 HB3 SER A 114 15.658 -10.884 -1.801 1.00 14.66 H new ATOM 0 HG SER A 114 16.279 -13.120 -1.712 1.00 15.43 H new ATOM 1750 N LEU A 115 15.536 -8.399 -3.465 1.00 13.29 N ATOM 1751 CA LEU A 115 15.774 -6.989 -3.720 1.00 12.67 C ATOM 1752 C LEU A 115 15.133 -6.134 -2.639 1.00 11.82 C ATOM 1753 O LEU A 115 15.822 -5.425 -1.904 1.00 11.50 O ATOM 1754 CB LEU A 115 15.218 -6.624 -5.094 1.00 13.13 C ATOM 1755 CG LEU A 115 15.450 -5.186 -5.539 1.00 13.71 C ATOM 1756 CD1 LEU A 115 16.822 -5.035 -6.176 1.00 13.79 C ATOM 1757 CD2 LEU A 115 14.358 -4.775 -6.503 1.00 14.34 C ATOM 0 H LEU A 115 14.795 -8.594 -2.791 1.00 13.29 H new ATOM 0 HA LEU A 115 16.847 -6.798 -3.705 1.00 12.67 H new ATOM 0 HB2 LEU A 115 15.662 -7.290 -5.834 1.00 13.13 H new ATOM 0 HB3 LEU A 115 14.145 -6.817 -5.094 1.00 13.13 H new ATOM 0 HG LEU A 115 15.417 -4.532 -4.668 1.00 13.71 H new ATOM 0 HD11 LEU A 115 16.967 -4.000 -6.487 1.00 13.79 H new ATOM 0 HD12 LEU A 115 17.591 -5.308 -5.453 1.00 13.79 H new ATOM 0 HD13 LEU A 115 16.893 -5.688 -7.046 1.00 13.79 H new ATOM 0 HD21 LEU A 115 14.523 -3.746 -6.822 1.00 14.34 H new ATOM 0 HD22 LEU A 115 14.374 -5.432 -7.373 1.00 14.34 H new ATOM 0 HD23 LEU A 115 13.389 -4.851 -6.009 1.00 14.34 H new ATOM 1769 N GLY A 116 13.814 -6.214 -2.533 1.00 11.63 N ATOM 1770 CA GLY A 116 13.128 -5.507 -1.477 1.00 10.96 C ATOM 1771 C GLY A 116 12.400 -4.265 -1.942 1.00 10.62 C ATOM 1772 O GLY A 116 11.653 -3.664 -1.173 1.00 10.23 O ATOM 0 H GLY A 116 13.212 -6.753 -3.156 1.00 11.63 H new ATOM 0 HA2 GLY A 116 12.412 -6.181 -1.007 1.00 10.96 H new ATOM 0 HA3 GLY A 116 13.851 -5.227 -0.711 1.00 10.96 H new ATOM 1776 N THR A 117 12.608 -3.871 -3.186 1.00 10.92 N ATOM 1777 CA THR A 117 11.923 -2.712 -3.728 1.00 10.75 C ATOM 1778 C THR A 117 10.434 -3.006 -3.864 1.00 10.46 C ATOM 1779 O THR A 117 10.038 -3.840 -4.662 1.00 10.80 O ATOM 1780 CB THR A 117 12.506 -2.311 -5.098 1.00 11.45 C ATOM 1781 OG1 THR A 117 13.921 -2.105 -4.976 1.00 12.11 O ATOM 1782 CG2 THR A 117 11.855 -1.043 -5.631 1.00 11.71 C ATOM 0 H THR A 117 13.242 -4.334 -3.837 1.00 10.92 H new ATOM 0 HA THR A 117 12.068 -1.879 -3.040 1.00 10.75 H new ATOM 0 HB THR A 117 12.303 -3.119 -5.801 1.00 11.45 H new ATOM 0 HG1 THR A 117 14.265 -1.700 -5.800 1.00 12.11 H new ATOM 0 HG21 THR A 117 12.290 -0.790 -6.598 1.00 11.71 H new ATOM 0 HG22 THR A 117 10.783 -1.205 -5.746 1.00 11.71 H new ATOM 0 HG23 THR A 117 12.025 -0.225 -4.931 1.00 11.71 H new ATOM 1790 N ALA A 118 9.610 -2.353 -3.063 1.00 9.99 N ATOM 1791 CA ALA A 118 8.181 -2.624 -3.085 1.00 9.78 C ATOM 1792 C ALA A 118 7.396 -1.465 -3.678 1.00 9.60 C ATOM 1793 O ALA A 118 7.899 -0.344 -3.796 1.00 9.55 O ATOM 1794 CB ALA A 118 7.666 -2.944 -1.683 1.00 9.47 C ATOM 0 H ALA A 118 9.900 -1.638 -2.395 1.00 9.99 H new ATOM 0 HA ALA A 118 8.029 -3.494 -3.724 1.00 9.78 H new ATOM 0 HB1 ALA A 118 6.595 -3.143 -1.725 1.00 9.47 H new ATOM 0 HB2 ALA A 118 8.183 -3.822 -1.297 1.00 9.47 H new ATOM 0 HB3 ALA A 118 7.852 -2.095 -1.025 1.00 9.47 H new ATOM 1800 N ASP A 119 6.159 -1.759 -4.044 1.00 9.67 N ATOM 1801 CA ASP A 119 5.233 -0.772 -4.569 1.00 9.53 C ATOM 1802 C ASP A 119 4.028 -0.690 -3.650 1.00 9.23 C ATOM 1803 O ASP A 119 3.244 -1.633 -3.559 1.00 9.46 O ATOM 1804 CB ASP A 119 4.781 -1.153 -5.982 1.00 10.06 C ATOM 1805 CG ASP A 119 3.534 -0.403 -6.420 1.00 10.01 C ATOM 1806 OD1 ASP A 119 3.631 0.801 -6.738 1.00 10.21 O ATOM 1807 OD2 ASP A 119 2.448 -1.012 -6.431 1.00 9.84 O ATOM 0 H ASP A 119 5.767 -2.699 -3.984 1.00 9.67 H new ATOM 0 HA ASP A 119 5.732 0.196 -4.618 1.00 9.53 H new ATOM 0 HB2 ASP A 119 5.589 -0.949 -6.685 1.00 10.06 H new ATOM 0 HB3 ASP A 119 4.588 -2.225 -6.021 1.00 10.06 H new ATOM 1812 N VAL A 120 3.891 0.415 -2.946 1.00 8.97 N ATOM 1813 CA VAL A 120 2.775 0.572 -2.035 1.00 8.93 C ATOM 1814 C VAL A 120 1.758 1.532 -2.625 1.00 8.97 C ATOM 1815 O VAL A 120 2.107 2.443 -3.377 1.00 9.03 O ATOM 1816 CB VAL A 120 3.216 1.032 -0.619 1.00 9.02 C ATOM 1817 CG1 VAL A 120 4.649 0.614 -0.332 1.00 9.07 C ATOM 1818 CG2 VAL A 120 3.057 2.530 -0.436 1.00 9.06 C ATOM 0 H VAL A 120 4.530 1.209 -2.985 1.00 8.97 H new ATOM 0 HA VAL A 120 2.316 -0.409 -1.909 1.00 8.93 H new ATOM 0 HB VAL A 120 2.558 0.538 0.096 1.00 9.02 H new ATOM 0 HG11 VAL A 120 4.933 0.949 0.666 1.00 9.07 H new ATOM 0 HG12 VAL A 120 4.729 -0.472 -0.387 1.00 9.07 H new ATOM 0 HG13 VAL A 120 5.314 1.065 -1.069 1.00 9.07 H new ATOM 0 HG21 VAL A 120 3.377 2.810 0.568 1.00 9.06 H new ATOM 0 HG22 VAL A 120 3.669 3.053 -1.171 1.00 9.06 H new ATOM 0 HG23 VAL A 120 2.011 2.804 -0.573 1.00 9.06 H new ATOM 1828 N HIS A 121 0.500 1.325 -2.302 1.00 9.13 N ATOM 1829 CA HIS A 121 -0.557 2.105 -2.898 1.00 9.24 C ATOM 1830 C HIS A 121 -1.553 2.543 -1.844 1.00 9.55 C ATOM 1831 O HIS A 121 -1.974 1.734 -0.993 1.00 9.80 O ATOM 1832 CB HIS A 121 -1.261 1.290 -3.977 1.00 9.38 C ATOM 1833 CG HIS A 121 -0.772 1.570 -5.363 1.00 9.45 C ATOM 1834 ND1 HIS A 121 0.286 0.903 -5.950 1.00 9.62 N ATOM 1835 CD2 HIS A 121 -1.213 2.453 -6.285 1.00 9.62 C ATOM 1836 CE1 HIS A 121 0.468 1.368 -7.168 1.00 9.94 C ATOM 1837 NE2 HIS A 121 -0.427 2.310 -7.398 1.00 9.93 N ATOM 0 H HIS A 121 0.187 0.624 -1.631 1.00 9.13 H new ATOM 0 HA HIS A 121 -0.120 2.994 -3.352 1.00 9.24 H new ATOM 0 HB2 HIS A 121 -1.128 0.230 -3.763 1.00 9.38 H new ATOM 0 HB3 HIS A 121 -2.331 1.493 -3.932 1.00 9.38 H new ATOM 0 HD1 HIS A 121 0.838 0.167 -5.510 1.00 9.62 H new ATOM 0 HD2 HIS A 121 -2.034 3.145 -6.167 1.00 9.62 H new ATOM 0 HE1 HIS A 121 1.224 1.034 -7.863 1.00 9.94 H new ATOM 1846 N PHE A 122 -1.899 3.825 -1.903 1.00 9.77 N ATOM 1847 CA PHE A 122 -2.910 4.398 -1.037 1.00 10.32 C ATOM 1848 C PHE A 122 -3.908 5.195 -1.872 1.00 10.49 C ATOM 1849 O PHE A 122 -3.593 5.625 -2.985 1.00 10.27 O ATOM 1850 CB PHE A 122 -2.298 5.306 0.047 1.00 10.72 C ATOM 1851 CG PHE A 122 -0.833 5.634 -0.119 1.00 10.49 C ATOM 1852 CD1 PHE A 122 -0.411 6.532 -1.083 1.00 10.41 C ATOM 1853 CD2 PHE A 122 0.116 5.062 0.711 1.00 10.52 C ATOM 1854 CE1 PHE A 122 0.928 6.845 -1.222 1.00 10.34 C ATOM 1855 CE2 PHE A 122 1.454 5.375 0.578 1.00 10.36 C ATOM 1856 CZ PHE A 122 1.859 6.268 -0.390 1.00 10.28 C ATOM 0 H PHE A 122 -1.484 4.491 -2.554 1.00 9.77 H new ATOM 0 HA PHE A 122 -3.416 3.576 -0.531 1.00 10.32 H new ATOM 0 HB2 PHE A 122 -2.859 6.240 0.071 1.00 10.72 H new ATOM 0 HB3 PHE A 122 -2.436 4.826 1.016 1.00 10.72 H new ATOM 0 HD1 PHE A 122 -1.137 6.994 -1.735 1.00 10.41 H new ATOM 0 HD2 PHE A 122 -0.194 4.362 1.472 1.00 10.52 H new ATOM 0 HE1 PHE A 122 1.243 7.543 -1.984 1.00 10.34 H new ATOM 0 HE2 PHE A 122 2.183 4.920 1.232 1.00 10.36 H new ATOM 0 HZ PHE A 122 2.905 6.514 -0.495 1.00 10.28 H new ATOM 1866 N GLU A 123 -5.111 5.370 -1.344 1.00 11.02 N ATOM 1867 CA GLU A 123 -6.138 6.175 -2.003 1.00 11.27 C ATOM 1868 C GLU A 123 -5.887 7.660 -1.767 1.00 11.67 C ATOM 1869 O GLU A 123 -6.582 8.519 -2.309 1.00 11.87 O ATOM 1870 CB GLU A 123 -7.524 5.800 -1.483 1.00 11.83 C ATOM 1871 CG GLU A 123 -8.106 4.568 -2.146 1.00 11.97 C ATOM 1872 CD GLU A 123 -8.295 3.426 -1.175 1.00 12.34 C ATOM 1873 OE1 GLU A 123 -7.287 2.819 -0.764 1.00 12.45 O ATOM 1874 OE2 GLU A 123 -9.449 3.125 -0.821 1.00 12.67 O ATOM 0 H GLU A 123 -5.404 4.964 -0.456 1.00 11.02 H new ATOM 0 HA GLU A 123 -6.092 5.974 -3.073 1.00 11.27 H new ATOM 0 HB2 GLU A 123 -7.466 5.631 -0.408 1.00 11.83 H new ATOM 0 HB3 GLU A 123 -8.201 6.640 -1.638 1.00 11.83 H new ATOM 0 HG2 GLU A 123 -9.066 4.821 -2.597 1.00 11.97 H new ATOM 0 HG3 GLU A 123 -7.448 4.249 -2.954 1.00 11.97 H new ATOM 1881 N ARG A 124 -4.882 7.949 -0.959 1.00 11.93 N ATOM 1882 CA ARG A 124 -4.558 9.318 -0.601 1.00 12.58 C ATOM 1883 C ARG A 124 -3.275 9.737 -1.295 1.00 12.40 C ATOM 1884 O ARG A 124 -2.195 9.252 -0.962 1.00 12.05 O ATOM 1885 CB ARG A 124 -4.402 9.455 0.917 1.00 13.34 C ATOM 1886 CG ARG A 124 -5.467 8.715 1.715 1.00 13.64 C ATOM 1887 CD ARG A 124 -6.832 9.370 1.568 1.00 14.19 C ATOM 1888 NE ARG A 124 -7.187 10.161 2.744 1.00 14.36 N ATOM 1889 CZ ARG A 124 -8.336 10.822 2.882 1.00 14.72 C ATOM 1890 NH1 ARG A 124 -9.256 10.776 1.923 1.00 14.94 N ATOM 1891 NH2 ARG A 124 -8.563 11.528 3.984 1.00 15.04 N ATOM 0 H ARG A 124 -4.273 7.249 -0.536 1.00 11.93 H new ATOM 0 HA ARG A 124 -5.372 9.967 -0.924 1.00 12.58 H new ATOM 0 HB2 ARG A 124 -3.420 9.082 1.207 1.00 13.34 H new ATOM 0 HB3 ARG A 124 -4.432 10.512 1.182 1.00 13.34 H new ATOM 0 HG2 ARG A 124 -5.521 7.680 1.378 1.00 13.64 H new ATOM 0 HG3 ARG A 124 -5.185 8.693 2.768 1.00 13.64 H new ATOM 0 HD2 ARG A 124 -6.834 10.010 0.686 1.00 14.19 H new ATOM 0 HD3 ARG A 124 -7.588 8.601 1.406 1.00 14.19 H new ATOM 0 HE ARG A 124 -6.513 10.210 3.508 1.00 14.36 H new ATOM 0 HH11 ARG A 124 -9.084 10.233 1.077 1.00 14.94 H new ATOM 0 HH12 ARG A 124 -10.134 11.284 2.034 1.00 14.94 H new ATOM 0 HH21 ARG A 124 -7.859 11.563 4.721 1.00 15.04 H new ATOM 0 HH22 ARG A 124 -9.441 12.035 4.093 1.00 15.04 H new ATOM 1905 N ARG A 125 -3.389 10.635 -2.260 1.00 12.78 N ATOM 1906 CA ARG A 125 -2.232 11.062 -3.030 1.00 12.90 C ATOM 1907 C ARG A 125 -1.363 11.998 -2.210 1.00 13.56 C ATOM 1908 O ARG A 125 -0.182 12.189 -2.505 1.00 13.55 O ATOM 1909 CB ARG A 125 -2.665 11.739 -4.323 1.00 13.36 C ATOM 1910 CG ARG A 125 -2.120 11.054 -5.563 1.00 13.29 C ATOM 1911 CD ARG A 125 -3.206 10.823 -6.597 1.00 13.69 C ATOM 1912 NE ARG A 125 -4.190 11.899 -6.599 1.00 14.28 N ATOM 1913 CZ ARG A 125 -5.440 11.770 -7.024 1.00 14.61 C ATOM 1914 NH1 ARG A 125 -5.859 10.614 -7.523 1.00 14.43 N ATOM 1915 NH2 ARG A 125 -6.260 12.808 -6.954 1.00 15.26 N ATOM 0 H ARG A 125 -4.266 11.081 -2.528 1.00 12.78 H new ATOM 0 HA ARG A 125 -1.647 10.178 -3.284 1.00 12.90 H new ATOM 0 HB2 ARG A 125 -3.754 11.754 -4.372 1.00 13.36 H new ATOM 0 HB3 ARG A 125 -2.332 12.777 -4.312 1.00 13.36 H new ATOM 0 HG2 ARG A 125 -1.327 11.663 -5.997 1.00 13.29 H new ATOM 0 HG3 ARG A 125 -1.673 10.100 -5.285 1.00 13.29 H new ATOM 0 HD2 ARG A 125 -2.755 10.741 -7.586 1.00 13.69 H new ATOM 0 HD3 ARG A 125 -3.705 9.875 -6.395 1.00 13.69 H new ATOM 0 HE ARG A 125 -3.898 12.812 -6.250 1.00 14.28 H new ATOM 0 HH11 ARG A 125 -5.219 9.822 -7.581 1.00 14.43 H new ATOM 0 HH12 ARG A 125 -6.821 10.518 -7.849 1.00 14.43 H new ATOM 0 HH21 ARG A 125 -5.928 13.695 -6.576 1.00 15.26 H new ATOM 0 HH22 ARG A 125 -7.223 12.720 -7.278 1.00 15.26 H new ATOM 1929 N ALA A 126 -1.942 12.565 -1.159 1.00 14.24 N ATOM 1930 CA ALA A 126 -1.184 13.403 -0.251 1.00 15.01 C ATOM 1931 C ALA A 126 -0.271 12.557 0.609 1.00 14.54 C ATOM 1932 O ALA A 126 0.626 13.076 1.254 1.00 14.95 O ATOM 1933 CB ALA A 126 -2.084 14.230 0.635 1.00 15.90 C ATOM 0 H ALA A 126 -2.928 12.458 -0.919 1.00 14.24 H new ATOM 0 HA ALA A 126 -0.589 14.083 -0.861 1.00 15.01 H new ATOM 0 HB1 ALA A 126 -1.476 14.843 1.300 1.00 15.90 H new ATOM 0 HB2 ALA A 126 -2.710 14.875 0.018 1.00 15.90 H new ATOM 0 HB3 ALA A 126 -2.717 13.570 1.228 1.00 15.90 H new ATOM 1939 N ASP A 127 -0.499 11.250 0.611 1.00 13.75 N ATOM 1940 CA ASP A 127 0.358 10.341 1.352 1.00 13.28 C ATOM 1941 C ASP A 127 1.595 10.055 0.526 1.00 12.77 C ATOM 1942 O ASP A 127 2.638 9.672 1.048 1.00 12.74 O ATOM 1943 CB ASP A 127 -0.371 9.045 1.702 1.00 12.65 C ATOM 1944 CG ASP A 127 -0.534 8.879 3.197 1.00 13.12 C ATOM 1945 OD1 ASP A 127 -0.909 9.860 3.868 1.00 13.51 O ATOM 1946 OD2 ASP A 127 -0.279 7.774 3.723 1.00 13.24 O ATOM 0 H ASP A 127 -1.266 10.800 0.111 1.00 13.75 H new ATOM 0 HA ASP A 127 0.644 10.810 2.294 1.00 13.28 H new ATOM 0 HB2 ASP A 127 -1.352 9.040 1.226 1.00 12.65 H new ATOM 0 HB3 ASP A 127 0.183 8.196 1.300 1.00 12.65 H new ATOM 1951 N ALA A 128 1.466 10.278 -0.775 1.00 12.51 N ATOM 1952 CA ALA A 128 2.592 10.198 -1.684 1.00 12.26 C ATOM 1953 C ALA A 128 3.413 11.473 -1.554 1.00 13.19 C ATOM 1954 O ALA A 128 4.601 11.432 -1.254 1.00 13.28 O ATOM 1955 CB ALA A 128 2.107 10.008 -3.116 1.00 11.90 C ATOM 0 H ALA A 128 0.582 10.518 -1.224 1.00 12.51 H new ATOM 0 HA ALA A 128 3.213 9.339 -1.430 1.00 12.26 H new ATOM 0 HB1 ALA A 128 2.965 9.950 -3.786 1.00 11.90 H new ATOM 0 HB2 ALA A 128 1.529 9.086 -3.185 1.00 11.90 H new ATOM 0 HB3 ALA A 128 1.479 10.852 -3.403 1.00 11.90 H new ATOM 1961 N LEU A 129 2.758 12.601 -1.818 1.00 13.95 N ATOM 1962 CA LEU A 129 3.298 13.925 -1.480 1.00 15.01 C ATOM 1963 C LEU A 129 3.924 13.931 -0.077 1.00 15.35 C ATOM 1964 O LEU A 129 4.982 14.523 0.147 1.00 15.80 O ATOM 1965 CB LEU A 129 2.192 14.980 -1.566 1.00 15.79 C ATOM 1966 CG LEU A 129 2.668 16.431 -1.483 1.00 17.00 C ATOM 1967 CD1 LEU A 129 1.878 17.307 -2.443 1.00 17.52 C ATOM 1968 CD2 LEU A 129 2.542 16.949 -0.060 1.00 17.74 C ATOM 0 H LEU A 129 1.844 12.629 -2.269 1.00 13.95 H new ATOM 0 HA LEU A 129 4.081 14.164 -2.199 1.00 15.01 H new ATOM 0 HB2 LEU A 129 1.654 14.844 -2.504 1.00 15.79 H new ATOM 0 HB3 LEU A 129 1.479 14.802 -0.761 1.00 15.79 H new ATOM 0 HG LEU A 129 3.718 16.468 -1.772 1.00 17.00 H new ATOM 0 HD11 LEU A 129 2.230 18.336 -2.370 1.00 17.52 H new ATOM 0 HD12 LEU A 129 2.017 16.947 -3.462 1.00 17.52 H new ATOM 0 HD13 LEU A 129 0.820 17.267 -2.185 1.00 17.52 H new ATOM 0 HD21 LEU A 129 2.885 17.983 -0.017 1.00 17.74 H new ATOM 0 HD22 LEU A 129 1.500 16.899 0.254 1.00 17.74 H new ATOM 0 HD23 LEU A 129 3.151 16.337 0.605 1.00 17.74 H new ATOM 1980 N LYS A 130 3.298 13.206 0.837 1.00 15.21 N ATOM 1981 CA LYS A 130 3.794 13.149 2.204 1.00 15.60 C ATOM 1982 C LYS A 130 5.055 12.307 2.243 1.00 14.90 C ATOM 1983 O LYS A 130 6.041 12.681 2.866 1.00 15.34 O ATOM 1984 CB LYS A 130 2.775 12.568 3.182 1.00 15.68 C ATOM 1985 CG LYS A 130 3.374 12.303 4.555 1.00 15.55 C ATOM 1986 CD LYS A 130 2.507 11.372 5.384 1.00 15.23 C ATOM 1987 CE LYS A 130 2.435 9.978 4.784 1.00 15.09 C ATOM 1988 NZ LYS A 130 1.422 9.140 5.474 1.00 15.23 N ATOM 0 H LYS A 130 2.457 12.656 0.662 1.00 15.21 H new ATOM 0 HA LYS A 130 3.996 14.174 2.516 1.00 15.60 H new ATOM 0 HB2 LYS A 130 1.937 13.258 3.281 1.00 15.68 H new ATOM 0 HB3 LYS A 130 2.376 11.638 2.777 1.00 15.68 H new ATOM 0 HG2 LYS A 130 4.366 11.867 4.440 1.00 15.55 H new ATOM 0 HG3 LYS A 130 3.500 13.248 5.084 1.00 15.55 H new ATOM 0 HD2 LYS A 130 2.906 11.311 6.397 1.00 15.23 H new ATOM 0 HD3 LYS A 130 1.502 11.786 5.462 1.00 15.23 H new ATOM 0 HE2 LYS A 130 2.189 10.049 3.724 1.00 15.09 H new ATOM 0 HE3 LYS A 130 3.412 9.500 4.853 1.00 15.09 H new ATOM 0 HZ1 LYS A 130 1.152 8.346 4.860 1.00 15.23 H new ATOM 0 HZ2 LYS A 130 1.822 8.772 6.361 1.00 15.23 H new ATOM 0 HZ3 LYS A 130 0.582 9.715 5.686 1.00 15.23 H new ATOM 2002 N ALA A 131 5.025 11.179 1.552 1.00 13.87 N ATOM 2003 CA ALA A 131 6.158 10.273 1.519 1.00 13.19 C ATOM 2004 C ALA A 131 7.346 10.924 0.820 1.00 13.49 C ATOM 2005 O ALA A 131 8.490 10.765 1.244 1.00 13.49 O ATOM 2006 CB ALA A 131 5.768 8.967 0.830 1.00 12.14 C ATOM 0 H ALA A 131 4.223 10.869 1.004 1.00 13.87 H new ATOM 0 HA ALA A 131 6.455 10.046 2.543 1.00 13.19 H new ATOM 0 HB1 ALA A 131 6.626 8.295 0.811 1.00 12.14 H new ATOM 0 HB2 ALA A 131 4.951 8.497 1.377 1.00 12.14 H new ATOM 0 HB3 ALA A 131 5.448 9.176 -0.191 1.00 12.14 H new ATOM 2012 N MET A 132 7.062 11.684 -0.230 1.00 13.87 N ATOM 2013 CA MET A 132 8.102 12.354 -0.996 1.00 14.40 C ATOM 2014 C MET A 132 8.655 13.570 -0.255 1.00 15.49 C ATOM 2015 O MET A 132 9.758 14.024 -0.553 1.00 16.00 O ATOM 2016 CB MET A 132 7.576 12.751 -2.383 1.00 14.59 C ATOM 2017 CG MET A 132 6.997 14.153 -2.467 1.00 15.65 C ATOM 2018 SD MET A 132 6.903 14.759 -4.163 1.00 16.00 S ATOM 2019 CE MET A 132 5.131 14.893 -4.385 1.00 15.55 C ATOM 0 H MET A 132 6.115 11.851 -0.571 1.00 13.87 H new ATOM 0 HA MET A 132 8.925 11.651 -1.124 1.00 14.40 H new ATOM 0 HB2 MET A 132 8.390 12.665 -3.103 1.00 14.59 H new ATOM 0 HB3 MET A 132 6.809 12.037 -2.683 1.00 14.59 H new ATOM 0 HG2 MET A 132 6.000 14.158 -2.027 1.00 15.65 H new ATOM 0 HG3 MET A 132 7.610 14.832 -1.875 1.00 15.65 H new ATOM 0 HE1 MET A 132 4.917 15.274 -5.384 1.00 15.55 H new ATOM 0 HE2 MET A 132 4.674 13.911 -4.266 1.00 15.55 H new ATOM 0 HE3 MET A 132 4.722 15.576 -3.641 1.00 15.55 H new ATOM 2029 N LYS A 133 7.908 14.099 0.709 1.00 15.95 N ATOM 2030 CA LYS A 133 8.389 15.236 1.489 1.00 17.04 C ATOM 2031 C LYS A 133 9.011 14.766 2.801 1.00 16.95 C ATOM 2032 O LYS A 133 9.897 15.414 3.354 1.00 17.55 O ATOM 2033 CB LYS A 133 7.244 16.206 1.781 1.00 17.76 C ATOM 2034 CG LYS A 133 7.235 17.427 0.879 1.00 18.70 C ATOM 2035 CD LYS A 133 6.818 17.062 -0.532 1.00 18.27 C ATOM 2036 CE LYS A 133 7.189 18.148 -1.530 1.00 18.99 C ATOM 2037 NZ LYS A 133 8.556 18.691 -1.296 1.00 19.60 N ATOM 0 H LYS A 133 6.980 13.765 0.967 1.00 15.95 H new ATOM 0 HA LYS A 133 9.151 15.749 0.902 1.00 17.04 H new ATOM 0 HB2 LYS A 133 6.296 15.679 1.673 1.00 17.76 H new ATOM 0 HB3 LYS A 133 7.311 16.532 2.819 1.00 17.76 H new ATOM 0 HG2 LYS A 133 6.551 18.175 1.281 1.00 18.70 H new ATOM 0 HG3 LYS A 133 8.227 17.878 0.863 1.00 18.70 H new ATOM 0 HD2 LYS A 133 7.294 16.125 -0.821 1.00 18.27 H new ATOM 0 HD3 LYS A 133 5.741 16.894 -0.561 1.00 18.27 H new ATOM 0 HE2 LYS A 133 7.129 17.745 -2.541 1.00 18.99 H new ATOM 0 HE3 LYS A 133 6.463 18.959 -1.467 1.00 18.99 H new ATOM 0 HZ1 LYS A 133 8.856 19.245 -2.124 1.00 19.60 H new ATOM 0 HZ2 LYS A 133 8.547 19.302 -0.455 1.00 19.60 H new ATOM 0 HZ3 LYS A 133 9.221 17.905 -1.146 1.00 19.60 H new ATOM 2051 N GLN A 134 8.534 13.632 3.294 1.00 16.27 N ATOM 2052 CA GLN A 134 8.946 13.134 4.598 1.00 16.27 C ATOM 2053 C GLN A 134 10.051 12.094 4.477 1.00 15.45 C ATOM 2054 O GLN A 134 11.177 12.326 4.906 1.00 15.79 O ATOM 2055 CB GLN A 134 7.753 12.540 5.349 1.00 16.14 C ATOM 2056 CG GLN A 134 7.236 13.426 6.472 1.00 17.25 C ATOM 2057 CD GLN A 134 6.666 14.740 5.972 1.00 18.04 C ATOM 2058 OE1 GLN A 134 6.899 15.796 6.561 1.00 18.75 O ATOM 2059 NE2 GLN A 134 5.916 14.692 4.884 1.00 18.01 N ATOM 0 H GLN A 134 7.860 13.039 2.810 1.00 16.27 H new ATOM 0 HA GLN A 134 9.338 13.981 5.161 1.00 16.27 H new ATOM 0 HB2 GLN A 134 6.944 12.356 4.642 1.00 16.14 H new ATOM 0 HB3 GLN A 134 8.040 11.574 5.763 1.00 16.14 H new ATOM 0 HG2 GLN A 134 6.466 12.889 7.026 1.00 17.25 H new ATOM 0 HG3 GLN A 134 8.048 13.630 7.170 1.00 17.25 H new ATOM 0 HE21 GLN A 134 5.744 13.799 4.422 1.00 18.01 H new ATOM 0 HE22 GLN A 134 5.509 15.548 4.507 1.00 18.01 H new ATOM 2068 N TYR A 135 9.728 10.955 3.870 1.00 14.42 N ATOM 2069 CA TYR A 135 10.639 9.807 3.870 1.00 13.63 C ATOM 2070 C TYR A 135 11.640 9.855 2.719 1.00 13.70 C ATOM 2071 O TYR A 135 12.740 9.322 2.833 1.00 13.69 O ATOM 2072 CB TYR A 135 9.842 8.500 3.822 1.00 12.62 C ATOM 2073 CG TYR A 135 8.547 8.565 4.594 1.00 12.47 C ATOM 2074 CD1 TYR A 135 8.549 8.759 5.967 1.00 12.60 C ATOM 2075 CD2 TYR A 135 7.325 8.407 3.954 1.00 12.42 C ATOM 2076 CE1 TYR A 135 7.370 8.789 6.685 1.00 12.68 C ATOM 2077 CE2 TYR A 135 6.138 8.443 4.664 1.00 12.52 C ATOM 2078 CZ TYR A 135 6.157 8.743 6.002 1.00 12.67 C ATOM 2079 OH TYR A 135 4.993 8.654 6.748 1.00 12.97 O ATOM 0 H TYR A 135 8.850 10.800 3.375 1.00 14.42 H new ATOM 0 HA TYR A 135 11.212 9.852 4.796 1.00 13.63 H new ATOM 0 HB2 TYR A 135 9.626 8.252 2.783 1.00 12.62 H new ATOM 0 HB3 TYR A 135 10.456 7.693 4.222 1.00 12.62 H new ATOM 0 HD1 TYR A 135 9.489 8.889 6.483 1.00 12.60 H new ATOM 0 HD2 TYR A 135 7.301 8.254 2.885 1.00 12.42 H new ATOM 0 HE1 TYR A 135 7.388 8.847 7.763 1.00 12.68 H new ATOM 0 HE2 TYR A 135 5.202 8.236 4.167 1.00 12.52 H new ATOM 0 HH TYR A 135 5.147 8.080 7.527 1.00 12.97 H new ATOM 2089 N LYS A 136 11.265 10.484 1.612 1.00 13.88 N ATOM 2090 CA LYS A 136 12.148 10.559 0.452 1.00 14.15 C ATOM 2091 C LYS A 136 13.413 11.355 0.781 1.00 15.09 C ATOM 2092 O LYS A 136 13.344 12.437 1.369 1.00 15.85 O ATOM 2093 CB LYS A 136 11.413 11.171 -0.745 1.00 14.36 C ATOM 2094 CG LYS A 136 12.123 10.973 -2.074 1.00 14.69 C ATOM 2095 CD LYS A 136 11.448 11.766 -3.181 1.00 15.46 C ATOM 2096 CE LYS A 136 12.309 11.825 -4.430 1.00 15.93 C ATOM 2097 NZ LYS A 136 12.541 13.222 -4.877 1.00 16.56 N ATOM 0 H LYS A 136 10.364 10.946 1.492 1.00 13.88 H new ATOM 0 HA LYS A 136 12.449 9.546 0.185 1.00 14.15 H new ATOM 0 HB2 LYS A 136 10.417 10.734 -0.809 1.00 14.36 H new ATOM 0 HB3 LYS A 136 11.282 12.239 -0.570 1.00 14.36 H new ATOM 0 HG2 LYS A 136 13.164 11.284 -1.983 1.00 14.69 H new ATOM 0 HG3 LYS A 136 12.128 9.914 -2.333 1.00 14.69 H new ATOM 0 HD2 LYS A 136 10.487 11.311 -3.422 1.00 15.46 H new ATOM 0 HD3 LYS A 136 11.243 12.778 -2.832 1.00 15.46 H new ATOM 0 HE2 LYS A 136 13.267 11.343 -4.234 1.00 15.93 H new ATOM 0 HE3 LYS A 136 11.827 11.263 -5.230 1.00 15.93 H new ATOM 0 HZ1 LYS A 136 13.133 13.219 -5.732 1.00 16.56 H new ATOM 0 HZ2 LYS A 136 11.629 13.675 -5.089 1.00 16.56 H new ATOM 0 HZ3 LYS A 136 13.024 13.752 -4.124 1.00 16.56 H new ATOM 2111 N GLY A 137 14.566 10.813 0.394 1.00 15.10 N ATOM 2112 CA GLY A 137 15.838 11.448 0.696 1.00 15.97 C ATOM 2113 C GLY A 137 16.362 11.125 2.088 1.00 15.85 C ATOM 2114 O GLY A 137 17.427 11.603 2.482 1.00 16.53 O ATOM 0 H GLY A 137 14.641 9.939 -0.127 1.00 15.10 H new ATOM 0 HA2 GLY A 137 16.576 11.135 -0.043 1.00 15.97 H new ATOM 0 HA3 GLY A 137 15.728 12.528 0.599 1.00 15.97 H new ATOM 2118 N VAL A 138 15.629 10.308 2.827 1.00 15.06 N ATOM 2119 CA VAL A 138 15.990 9.992 4.204 1.00 15.00 C ATOM 2120 C VAL A 138 16.914 8.772 4.273 1.00 14.61 C ATOM 2121 O VAL A 138 16.729 7.790 3.551 1.00 13.92 O ATOM 2122 CB VAL A 138 14.723 9.757 5.063 1.00 14.53 C ATOM 2123 CG1 VAL A 138 15.055 9.136 6.412 1.00 14.37 C ATOM 2124 CG2 VAL A 138 13.977 11.065 5.258 1.00 14.92 C ATOM 0 H VAL A 138 14.779 9.850 2.498 1.00 15.06 H new ATOM 0 HA VAL A 138 16.531 10.848 4.607 1.00 15.00 H new ATOM 0 HB VAL A 138 14.088 9.052 4.527 1.00 14.53 H new ATOM 0 HG11 VAL A 138 14.137 8.989 6.981 1.00 14.37 H new ATOM 0 HG12 VAL A 138 15.545 8.174 6.259 1.00 14.37 H new ATOM 0 HG13 VAL A 138 15.721 9.799 6.964 1.00 14.37 H new ATOM 0 HG21 VAL A 138 13.088 10.890 5.863 1.00 14.92 H new ATOM 0 HG22 VAL A 138 14.625 11.781 5.764 1.00 14.92 H new ATOM 0 HG23 VAL A 138 13.683 11.464 4.287 1.00 14.92 H new ATOM 2134 N PRO A 139 17.957 8.845 5.110 1.00 15.15 N ATOM 2135 CA PRO A 139 18.843 7.720 5.364 1.00 14.91 C ATOM 2136 C PRO A 139 18.346 6.848 6.518 1.00 14.45 C ATOM 2137 O PRO A 139 17.212 6.990 6.974 1.00 14.71 O ATOM 2138 CB PRO A 139 20.151 8.413 5.736 1.00 15.76 C ATOM 2139 CG PRO A 139 19.732 9.678 6.411 1.00 16.48 C ATOM 2140 CD PRO A 139 18.376 10.045 5.857 1.00 16.12 C ATOM 0 HA PRO A 139 18.923 7.042 4.514 1.00 14.91 H new ATOM 0 HB2 PRO A 139 20.754 7.792 6.398 1.00 15.76 H new ATOM 0 HB3 PRO A 139 20.756 8.617 4.853 1.00 15.76 H new ATOM 0 HG2 PRO A 139 19.683 9.541 7.491 1.00 16.48 H new ATOM 0 HG3 PRO A 139 20.454 10.473 6.223 1.00 16.48 H new ATOM 0 HD2 PRO A 139 17.672 10.285 6.653 1.00 16.12 H new ATOM 0 HD3 PRO A 139 18.434 10.919 5.208 1.00 16.12 H new ATOM 2148 N LEU A 140 19.206 5.965 6.995 1.00 13.94 N ATOM 2149 CA LEU A 140 18.900 5.116 8.134 1.00 13.62 C ATOM 2150 C LEU A 140 20.210 4.574 8.677 1.00 13.69 C ATOM 2151 O LEU A 140 20.671 3.507 8.268 1.00 13.37 O ATOM 2152 CB LEU A 140 17.973 3.965 7.723 1.00 12.88 C ATOM 2153 CG LEU A 140 16.993 3.501 8.803 1.00 12.84 C ATOM 2154 CD1 LEU A 140 15.736 4.355 8.788 1.00 13.08 C ATOM 2155 CD2 LEU A 140 16.645 2.033 8.607 1.00 12.35 C ATOM 0 H LEU A 140 20.136 5.816 6.604 1.00 13.94 H new ATOM 0 HA LEU A 140 18.382 5.693 8.900 1.00 13.62 H new ATOM 0 HB2 LEU A 140 17.403 4.274 6.846 1.00 12.88 H new ATOM 0 HB3 LEU A 140 18.586 3.116 7.422 1.00 12.88 H new ATOM 0 HG LEU A 140 17.472 3.616 9.776 1.00 12.84 H new ATOM 0 HD11 LEU A 140 15.052 4.009 9.563 1.00 13.08 H new ATOM 0 HD12 LEU A 140 16.001 5.396 8.976 1.00 13.08 H new ATOM 0 HD13 LEU A 140 15.252 4.274 7.815 1.00 13.08 H new ATOM 0 HD21 LEU A 140 15.947 1.718 9.383 1.00 12.35 H new ATOM 0 HD22 LEU A 140 16.186 1.896 7.628 1.00 12.35 H new ATOM 0 HD23 LEU A 140 17.552 1.432 8.669 1.00 12.35 H new ATOM 2167 N ASP A 141 20.799 5.317 9.609 1.00 14.24 N ATOM 2168 CA ASP A 141 22.171 5.072 10.047 1.00 14.50 C ATOM 2169 C ASP A 141 23.128 5.332 8.874 1.00 14.65 C ATOM 2170 O ASP A 141 22.755 6.001 7.905 1.00 14.60 O ATOM 2171 CB ASP A 141 22.330 3.639 10.593 1.00 14.25 C ATOM 2172 CG ASP A 141 23.603 3.443 11.396 1.00 14.67 C ATOM 2173 OD1 ASP A 141 24.067 4.407 12.031 1.00 15.08 O ATOM 2174 OD2 ASP A 141 24.159 2.328 11.374 1.00 14.68 O ATOM 0 H ASP A 141 20.344 6.100 10.079 1.00 14.24 H new ATOM 0 HA ASP A 141 22.416 5.753 10.862 1.00 14.50 H new ATOM 0 HB2 ASP A 141 21.472 3.399 11.220 1.00 14.25 H new ATOM 0 HB3 ASP A 141 22.322 2.937 9.760 1.00 14.25 H new ATOM 2179 N GLY A 142 24.363 4.860 9.001 1.00 14.99 N ATOM 2180 CA GLY A 142 25.338 4.895 7.902 1.00 15.30 C ATOM 2181 C GLY A 142 24.868 4.259 6.586 1.00 15.13 C ATOM 2182 O GLY A 142 25.670 4.061 5.670 1.00 15.53 O ATOM 0 H GLY A 142 24.721 4.444 9.860 1.00 14.99 H new ATOM 0 HA2 GLY A 142 25.606 5.934 7.709 1.00 15.30 H new ATOM 0 HA3 GLY A 142 26.246 4.387 8.228 1.00 15.30 H new ATOM 2186 N ARG A 143 23.590 3.929 6.488 1.00 14.64 N ATOM 2187 CA ARG A 143 23.016 3.426 5.248 1.00 14.58 C ATOM 2188 C ARG A 143 21.721 4.162 4.916 1.00 14.18 C ATOM 2189 O ARG A 143 20.715 4.001 5.596 1.00 13.64 O ATOM 2190 CB ARG A 143 22.757 1.923 5.350 1.00 14.55 C ATOM 2191 CG ARG A 143 22.519 1.255 4.004 1.00 14.62 C ATOM 2192 CD ARG A 143 22.424 -0.257 4.142 1.00 15.01 C ATOM 2193 NE ARG A 143 21.822 -0.647 5.415 1.00 15.55 N ATOM 2194 CZ ARG A 143 20.574 -1.092 5.547 1.00 16.06 C ATOM 2195 NH1 ARG A 143 19.826 -1.314 4.471 1.00 16.09 N ATOM 2196 NH2 ARG A 143 20.089 -1.329 6.757 1.00 16.66 N ATOM 0 H ARG A 143 22.925 4.001 7.258 1.00 14.64 H new ATOM 0 HA ARG A 143 23.731 3.604 4.445 1.00 14.58 H new ATOM 0 HB2 ARG A 143 23.609 1.448 5.837 1.00 14.55 H new ATOM 0 HB3 ARG A 143 21.890 1.754 5.989 1.00 14.55 H new ATOM 0 HG2 ARG A 143 21.599 1.640 3.563 1.00 14.62 H new ATOM 0 HG3 ARG A 143 23.330 1.509 3.322 1.00 14.62 H new ATOM 0 HD2 ARG A 143 21.832 -0.661 3.321 1.00 15.01 H new ATOM 0 HD3 ARG A 143 23.420 -0.693 4.062 1.00 15.01 H new ATOM 0 HE ARG A 143 22.394 -0.574 6.256 1.00 15.55 H new ATOM 0 HH11 ARG A 143 20.208 -1.143 3.541 1.00 16.09 H new ATOM 0 HH12 ARG A 143 18.870 -1.655 4.576 1.00 16.09 H new ATOM 0 HH21 ARG A 143 20.671 -1.170 7.580 1.00 16.66 H new ATOM 0 HH22 ARG A 143 19.134 -1.670 6.866 1.00 16.66 H new ATOM 2210 N PRO A 144 21.735 5.001 3.874 1.00 14.56 N ATOM 2211 CA PRO A 144 20.532 5.697 3.415 1.00 14.25 C ATOM 2212 C PRO A 144 19.555 4.744 2.739 1.00 13.50 C ATOM 2213 O PRO A 144 19.964 3.716 2.198 1.00 13.51 O ATOM 2214 CB PRO A 144 21.072 6.717 2.409 1.00 15.09 C ATOM 2215 CG PRO A 144 22.344 6.124 1.913 1.00 15.66 C ATOM 2216 CD PRO A 144 22.918 5.341 3.063 1.00 15.41 C ATOM 0 HA PRO A 144 19.976 6.150 4.236 1.00 14.25 H new ATOM 0 HB2 PRO A 144 20.367 6.880 1.594 1.00 15.09 H new ATOM 0 HB3 PRO A 144 21.244 7.685 2.880 1.00 15.09 H new ATOM 0 HG2 PRO A 144 22.163 5.478 1.054 1.00 15.66 H new ATOM 0 HG3 PRO A 144 23.035 6.901 1.588 1.00 15.66 H new ATOM 0 HD2 PRO A 144 23.439 4.447 2.719 1.00 15.41 H new ATOM 0 HD3 PRO A 144 23.637 5.931 3.631 1.00 15.41 H new ATOM 2224 N MET A 145 18.268 5.073 2.762 1.00 12.97 N ATOM 2225 CA MET A 145 17.283 4.219 2.121 1.00 12.29 C ATOM 2226 C MET A 145 16.914 4.781 0.755 1.00 12.48 C ATOM 2227 O MET A 145 17.573 5.694 0.251 1.00 13.04 O ATOM 2228 CB MET A 145 16.037 4.018 3.007 1.00 11.64 C ATOM 2229 CG MET A 145 15.194 5.267 3.237 1.00 11.69 C ATOM 2230 SD MET A 145 14.384 5.259 4.849 1.00 11.33 S ATOM 2231 CE MET A 145 13.047 6.413 4.556 1.00 11.40 C ATOM 0 H MET A 145 17.890 5.909 3.209 1.00 12.97 H new ATOM 0 HA MET A 145 17.727 3.234 1.980 1.00 12.29 H new ATOM 0 HB2 MET A 145 15.407 3.253 2.552 1.00 11.64 H new ATOM 0 HB3 MET A 145 16.358 3.633 3.975 1.00 11.64 H new ATOM 0 HG2 MET A 145 15.827 6.150 3.156 1.00 11.69 H new ATOM 0 HG3 MET A 145 14.439 5.343 2.454 1.00 11.69 H new ATOM 0 HE1 MET A 145 13.006 7.136 5.370 1.00 11.40 H new ATOM 0 HE2 MET A 145 13.217 6.936 3.615 1.00 11.40 H new ATOM 0 HE3 MET A 145 12.103 5.871 4.504 1.00 11.40 H new ATOM 2241 N ASP A 146 15.864 4.245 0.165 1.00 12.13 N ATOM 2242 CA ASP A 146 15.448 4.642 -1.166 1.00 12.38 C ATOM 2243 C ASP A 146 13.937 4.663 -1.239 1.00 11.73 C ATOM 2244 O ASP A 146 13.263 3.995 -0.452 1.00 11.11 O ATOM 2245 CB ASP A 146 16.014 3.704 -2.226 1.00 12.64 C ATOM 2246 CG ASP A 146 15.925 4.288 -3.622 1.00 13.31 C ATOM 2247 OD1 ASP A 146 15.971 5.530 -3.753 1.00 13.71 O ATOM 2248 OD2 ASP A 146 15.821 3.513 -4.593 1.00 13.51 O ATOM 0 H ASP A 146 15.278 3.527 0.591 1.00 12.13 H new ATOM 0 HA ASP A 146 15.837 5.641 -1.365 1.00 12.38 H new ATOM 0 HB2 ASP A 146 17.056 3.484 -1.993 1.00 12.64 H new ATOM 0 HB3 ASP A 146 15.474 2.758 -2.196 1.00 12.64 H new ATOM 2253 N ILE A 147 13.413 5.405 -2.196 1.00 11.99 N ATOM 2254 CA ILE A 147 11.997 5.728 -2.237 1.00 11.55 C ATOM 2255 C ILE A 147 11.645 6.282 -3.604 1.00 12.03 C ATOM 2256 O ILE A 147 12.532 6.626 -4.386 1.00 12.66 O ATOM 2257 CB ILE A 147 11.577 6.764 -1.164 1.00 11.54 C ATOM 2258 CG1 ILE A 147 12.795 7.561 -0.658 1.00 12.01 C ATOM 2259 CG2 ILE A 147 10.835 6.081 -0.019 1.00 10.85 C ATOM 2260 CD1 ILE A 147 13.271 7.181 0.731 1.00 11.93 C ATOM 0 H ILE A 147 13.954 5.800 -2.965 1.00 11.99 H new ATOM 0 HA ILE A 147 11.459 4.802 -2.031 1.00 11.55 H new ATOM 0 HB ILE A 147 10.893 7.477 -1.624 1.00 11.54 H new ATOM 0 HG12 ILE A 147 13.618 7.424 -1.359 1.00 12.01 H new ATOM 0 HG13 ILE A 147 12.545 8.622 -0.664 1.00 12.01 H new ATOM 0 HG21 ILE A 147 10.549 6.825 0.724 1.00 10.85 H new ATOM 0 HG22 ILE A 147 9.941 5.591 -0.405 1.00 10.85 H new ATOM 0 HG23 ILE A 147 11.485 5.338 0.443 1.00 10.85 H new ATOM 0 HD11 ILE A 147 14.131 7.794 1.001 1.00 11.93 H new ATOM 0 HD12 ILE A 147 12.468 7.346 1.449 1.00 11.93 H new ATOM 0 HD13 ILE A 147 13.557 6.129 0.742 1.00 11.93 H new ATOM 2272 N GLN A 148 10.358 6.366 -3.880 1.00 11.86 N ATOM 2273 CA GLN A 148 9.879 6.928 -5.133 1.00 12.36 C ATOM 2274 C GLN A 148 8.395 7.202 -5.044 1.00 11.92 C ATOM 2275 O GLN A 148 7.727 6.696 -4.151 1.00 11.28 O ATOM 2276 CB GLN A 148 10.192 6.017 -6.315 1.00 12.71 C ATOM 2277 CG GLN A 148 11.262 6.586 -7.228 1.00 13.36 C ATOM 2278 CD GLN A 148 12.285 5.549 -7.648 1.00 13.82 C ATOM 2279 OE1 GLN A 148 12.590 5.405 -8.830 1.00 14.37 O ATOM 2280 NE2 GLN A 148 12.826 4.825 -6.680 1.00 13.78 N ATOM 0 H GLN A 148 9.620 6.051 -3.251 1.00 11.86 H new ATOM 0 HA GLN A 148 10.403 7.869 -5.303 1.00 12.36 H new ATOM 0 HB2 GLN A 148 10.517 5.045 -5.943 1.00 12.71 H new ATOM 0 HB3 GLN A 148 9.281 5.850 -6.890 1.00 12.71 H new ATOM 0 HG2 GLN A 148 10.790 7.005 -8.117 1.00 13.36 H new ATOM 0 HG3 GLN A 148 11.769 7.406 -6.719 1.00 13.36 H new ATOM 0 HE21 GLN A 148 12.544 4.977 -5.711 1.00 13.78 H new ATOM 0 HE22 GLN A 148 13.524 4.116 -6.903 1.00 13.78 H new ATOM 2289 N LEU A 149 7.882 7.974 -5.984 1.00 12.38 N ATOM 2290 CA LEU A 149 6.501 8.413 -5.943 1.00 12.11 C ATOM 2291 C LEU A 149 5.985 8.612 -7.362 1.00 12.57 C ATOM 2292 O LEU A 149 6.593 9.328 -8.158 1.00 13.35 O ATOM 2293 CB LEU A 149 6.365 9.712 -5.142 1.00 12.48 C ATOM 2294 CG LEU A 149 5.903 9.547 -3.688 1.00 12.21 C ATOM 2295 CD1 LEU A 149 4.990 8.339 -3.540 1.00 11.94 C ATOM 2296 CD2 LEU A 149 7.100 9.420 -2.759 1.00 12.16 C ATOM 0 H LEU A 149 8.407 8.312 -6.791 1.00 12.38 H new ATOM 0 HA LEU A 149 5.905 7.647 -5.447 1.00 12.11 H new ATOM 0 HB2 LEU A 149 7.329 10.221 -5.143 1.00 12.48 H new ATOM 0 HB3 LEU A 149 5.659 10.364 -5.657 1.00 12.48 H new ATOM 0 HG LEU A 149 5.338 10.437 -3.411 1.00 12.21 H new ATOM 0 HD11 LEU A 149 4.677 8.245 -2.500 1.00 11.94 H new ATOM 0 HD12 LEU A 149 4.112 8.467 -4.173 1.00 11.94 H new ATOM 0 HD13 LEU A 149 5.526 7.439 -3.840 1.00 11.94 H new ATOM 0 HD21 LEU A 149 6.753 9.304 -1.732 1.00 12.16 H new ATOM 0 HD22 LEU A 149 7.690 8.549 -3.043 1.00 12.16 H new ATOM 0 HD23 LEU A 149 7.716 10.316 -2.835 1.00 12.16 H new ATOM 2308 N VAL A 150 4.876 7.966 -7.671 1.00 12.18 N ATOM 2309 CA VAL A 150 4.291 8.016 -9.003 1.00 12.66 C ATOM 2310 C VAL A 150 2.811 8.358 -8.895 1.00 12.39 C ATOM 2311 O VAL A 150 2.146 7.939 -7.943 1.00 11.73 O ATOM 2312 CB VAL A 150 4.455 6.676 -9.759 1.00 12.72 C ATOM 2313 CG1 VAL A 150 4.486 6.908 -11.260 1.00 13.21 C ATOM 2314 CG2 VAL A 150 5.714 5.942 -9.314 1.00 12.72 C ATOM 0 H VAL A 150 4.354 7.392 -7.009 1.00 12.18 H new ATOM 0 HA VAL A 150 4.818 8.784 -9.568 1.00 12.66 H new ATOM 0 HB VAL A 150 3.594 6.052 -9.518 1.00 12.72 H new ATOM 0 HG11 VAL A 150 4.602 5.953 -11.773 1.00 13.21 H new ATOM 0 HG12 VAL A 150 3.555 7.379 -11.575 1.00 13.21 H new ATOM 0 HG13 VAL A 150 5.324 7.559 -11.510 1.00 13.21 H new ATOM 0 HG21 VAL A 150 5.802 5.004 -9.863 1.00 12.72 H new ATOM 0 HG22 VAL A 150 6.587 6.563 -9.514 1.00 12.72 H new ATOM 0 HG23 VAL A 150 5.655 5.733 -8.246 1.00 12.72 H new ATOM 2324 N ALA A 151 2.305 9.131 -9.859 1.00 13.01 N ATOM 2325 CA ALA A 151 0.927 9.610 -9.833 1.00 12.96 C ATOM 2326 C ALA A 151 0.678 10.430 -8.573 1.00 13.33 C ATOM 2327 O ALA A 151 -0.424 10.455 -8.040 1.00 13.35 O ATOM 2328 CB ALA A 151 -0.057 8.449 -9.932 1.00 12.65 C ATOM 0 H ALA A 151 2.837 9.439 -10.673 1.00 13.01 H new ATOM 0 HA ALA A 151 0.769 10.252 -10.700 1.00 12.96 H new ATOM 0 HB1 ALA A 151 -1.077 8.833 -9.910 1.00 12.65 H new ATOM 0 HB2 ALA A 151 0.108 7.911 -10.865 1.00 12.65 H new ATOM 0 HB3 ALA A 151 0.093 7.772 -9.091 1.00 12.65 H new