USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 909 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 78 LYS NZ :NH3+ 161:sc= 0.593 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= -1.13 K(o=-0.54,f=-4.4!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.747 K(o=-0.94,f=-2.7) USER MOD Set 2.2: A 64 ASN : amide:sc= -1.69! C(o=-0.94!,f=-2.7!) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 158:sc= 0.156 (180deg=0) USER MOD Set 3.2: A 28 ASN : amide:sc= 0.0411 K(o=0.2,f=-2.4!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 39:sc= 0.253 USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= -0.948 (180deg=-2.26!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 26:sc= -0.261 USER MOD Single : A 21 LYS NZ :NH3+ -108:sc= -1.05 (180deg=-3.29!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 41 LYS NZ :NH3+ -120:sc= -0.913 (180deg=-1.79!) USER MOD Single : A 43 THR OG1 : rot 170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 46 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.4!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= -0.0172 (180deg=-0.133) USER MOD Single : A 48 THR OG1 : rot 140:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.959! C(o=-0.96!,f=-4!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 71 MET CE :methyl -127:sc= -0.0552 (180deg=-0.711) USER MOD Single : A 73 CYS SG : rot 33:sc= -0.253 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.396 USER MOD Single : A 80 ASN : amide:sc= -2.25! X(o=-2.2!,f=-2.3) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.17 K(o=-1.2,f=-6.6!) USER MOD Single : A 94 LYS NZ :NH3+ 138:sc= -0.223 (180deg=-1.4!) USER MOD Single : A 95 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 98 MET CE :methyl -137:sc= 0 (180deg=-0.0191) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -143:sc=-0.00136 (180deg=-0.055) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0504) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 109 SER OG : rot 94:sc= 0.0158 USER MOD Single : A 116 HIS : no HE2:sc= -2.47! C(o=-2.5!,f=-4.4!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.996 5.837 -11.891 1.00 0.00 N ATOM 97 CA ALA A 14 -0.403 6.218 -10.615 1.00 0.00 C ATOM 98 C ALA A 14 0.340 7.545 -10.729 1.00 0.00 C ATOM 99 O ALA A 14 1.297 7.668 -11.493 1.00 0.00 O ATOM 100 CB ALA A 14 0.535 5.126 -10.122 1.00 0.00 C ATOM 0 HA ALA A 14 -1.208 6.344 -9.891 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.971 5.424 -9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.023 4.199 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.330 4.972 -10.852 1.00 0.00 H new ATOM 106 N PHE A 15 -0.108 8.536 -9.965 1.00 0.00 N ATOM 107 CA PHE A 15 0.514 9.855 -9.982 1.00 0.00 C ATOM 108 C PHE A 15 1.783 9.868 -9.136 1.00 0.00 C ATOM 109 O PHE A 15 2.790 10.467 -9.516 1.00 0.00 O ATOM 110 CB PHE A 15 -0.467 10.911 -9.467 1.00 0.00 C ATOM 111 CG PHE A 15 -1.189 10.499 -8.217 1.00 0.00 C ATOM 112 CD1 PHE A 15 -0.576 10.608 -6.979 1.00 0.00 C ATOM 113 CD2 PHE A 15 -2.481 10.003 -8.279 1.00 0.00 C ATOM 114 CE1 PHE A 15 -1.239 10.230 -5.826 1.00 0.00 C ATOM 115 CE2 PHE A 15 -3.149 9.624 -7.129 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.526 9.737 -5.902 1.00 0.00 C ATOM 0 H PHE A 15 -0.899 8.451 -9.327 1.00 0.00 H new ATOM 0 HA PHE A 15 0.783 10.090 -11.012 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.076 11.837 -9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.199 11.126 -10.246 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.431 10.993 -6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.972 9.911 -9.236 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.750 10.320 -4.867 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.157 9.240 -7.191 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.045 9.440 -5.003 1.00 0.00 H new ATOM 126 N TYR A 16 1.728 9.205 -7.986 1.00 0.00 N ATOM 127 CA TYR A 16 2.871 9.143 -7.083 1.00 0.00 C ATOM 128 C TYR A 16 3.637 7.836 -7.264 1.00 0.00 C ATOM 129 O TYR A 16 3.055 6.752 -7.226 1.00 0.00 O ATOM 130 CB TYR A 16 2.410 9.280 -5.631 1.00 0.00 C ATOM 131 CG TYR A 16 3.528 9.138 -4.624 1.00 0.00 C ATOM 132 CD1 TYR A 16 4.549 10.078 -4.553 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.564 8.063 -3.744 1.00 0.00 C ATOM 134 CE1 TYR A 16 5.573 9.951 -3.635 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.584 7.929 -2.822 1.00 0.00 C ATOM 136 CZ TYR A 16 5.587 8.876 -2.771 1.00 0.00 C ATOM 137 OH TYR A 16 6.605 8.747 -1.854 1.00 0.00 O ATOM 0 H TYR A 16 0.903 8.703 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 16 3.538 9.971 -7.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.936 10.253 -5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.651 8.525 -5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.542 10.922 -5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.781 7.320 -3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.359 10.690 -3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.597 7.088 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 16 6.465 7.936 -1.321 1.00 0.00 H new ATOM 147 N SER A 17 4.947 7.948 -7.460 1.00 0.00 N ATOM 148 CA SER A 17 5.794 6.776 -7.649 1.00 0.00 C ATOM 149 C SER A 17 7.112 6.930 -6.896 1.00 0.00 C ATOM 150 O SER A 17 7.891 7.845 -7.163 1.00 0.00 O ATOM 151 CB SER A 17 6.068 6.554 -9.138 1.00 0.00 C ATOM 152 OG SER A 17 6.590 7.726 -9.741 1.00 0.00 O ATOM 0 H SER A 17 5.445 8.838 -7.492 1.00 0.00 H new ATOM 0 HA SER A 17 5.267 5.910 -7.250 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.773 5.732 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.146 6.262 -9.641 1.00 0.00 H new ATOM 0 HG SER A 17 7.218 8.158 -9.126 1.00 0.00 H new ATOM 158 N LYS A 18 7.354 6.028 -5.951 1.00 0.00 N ATOM 159 CA LYS A 18 8.577 6.061 -5.157 1.00 0.00 C ATOM 160 C LYS A 18 8.941 4.665 -4.662 1.00 0.00 C ATOM 161 O LYS A 18 8.080 3.910 -4.210 1.00 0.00 O ATOM 162 CB LYS A 18 8.412 7.009 -3.967 1.00 0.00 C ATOM 163 CG LYS A 18 9.699 7.249 -3.198 1.00 0.00 C ATOM 164 CD LYS A 18 10.432 8.479 -3.708 1.00 0.00 C ATOM 165 CE LYS A 18 11.194 8.182 -4.990 1.00 0.00 C ATOM 166 NZ LYS A 18 10.383 8.492 -6.201 1.00 0.00 N ATOM 0 H LYS A 18 6.719 5.265 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 18 9.384 6.424 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.029 7.965 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.664 6.600 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.474 7.372 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.345 6.376 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.717 9.282 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.125 8.833 -2.945 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.114 8.766 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.483 7.131 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.600 7.804 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.372 8.439 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.610 9.450 -6.535 1.00 0.00 H new ATOM 180 N LYS A 19 10.224 4.328 -4.747 1.00 0.00 N ATOM 181 CA LYS A 19 10.704 3.024 -4.305 1.00 0.00 C ATOM 182 C LYS A 19 10.853 2.985 -2.788 1.00 0.00 C ATOM 183 O LYS A 19 11.261 3.969 -2.169 1.00 0.00 O ATOM 184 CB LYS A 19 12.044 2.699 -4.969 1.00 0.00 C ATOM 185 CG LYS A 19 13.190 3.568 -4.482 1.00 0.00 C ATOM 186 CD LYS A 19 14.538 2.951 -4.817 1.00 0.00 C ATOM 187 CE LYS A 19 15.030 3.397 -6.185 1.00 0.00 C ATOM 188 NZ LYS A 19 16.393 2.875 -6.482 1.00 0.00 N ATOM 0 H LYS A 19 10.950 4.941 -5.118 1.00 0.00 H new ATOM 0 HA LYS A 19 9.969 2.275 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.288 1.653 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.943 2.816 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.118 4.556 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.110 3.707 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.267 3.233 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.458 1.864 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.335 3.053 -6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.041 4.486 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.692 3.201 -7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.062 3.224 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.378 1.835 -6.465 1.00 0.00 H new ATOM 202 N CYS A 20 10.523 1.843 -2.194 1.00 0.00 N ATOM 203 CA CYS A 20 10.622 1.676 -0.749 1.00 0.00 C ATOM 204 C CYS A 20 10.525 0.204 -0.363 1.00 0.00 C ATOM 205 O CYS A 20 10.175 -0.643 -1.186 1.00 0.00 O ATOM 206 CB CYS A 20 9.521 2.473 -0.046 1.00 0.00 C ATOM 207 SG CYS A 20 7.857 2.142 -0.670 1.00 0.00 S ATOM 0 H CYS A 20 10.185 1.019 -2.691 1.00 0.00 H new ATOM 0 HA CYS A 20 11.594 2.053 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.549 2.248 1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.733 3.537 -0.153 1.00 0.00 H new ATOM 0 HG CYS A 20 7.818 0.952 -1.192 1.00 0.00 H new ATOM 213 N LYS A 21 10.838 -0.096 0.893 1.00 0.00 N ATOM 214 CA LYS A 21 10.787 -1.466 1.389 1.00 0.00 C ATOM 215 C LYS A 21 9.539 -1.692 2.235 1.00 0.00 C ATOM 216 O LYS A 21 9.159 -0.841 3.040 1.00 0.00 O ATOM 217 CB LYS A 21 12.038 -1.778 2.213 1.00 0.00 C ATOM 218 CG LYS A 21 12.452 -3.238 2.160 1.00 0.00 C ATOM 219 CD LYS A 21 13.849 -3.443 2.723 1.00 0.00 C ATOM 220 CE LYS A 21 14.917 -2.971 1.748 1.00 0.00 C ATOM 221 NZ LYS A 21 15.206 -1.518 1.902 1.00 0.00 N ATOM 0 H LYS A 21 11.130 0.592 1.587 1.00 0.00 H new ATOM 0 HA LYS A 21 10.748 -2.136 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.862 -1.162 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.859 -1.497 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.740 -3.840 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.419 -3.589 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.947 -2.900 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.001 -4.499 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.832 -3.542 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.590 -3.170 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.818 -0.999 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.767 -1.168 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.235 -1.372 1.948 1.00 0.00 H new ATOM 235 N LEU A 22 8.904 -2.844 2.048 1.00 0.00 N ATOM 236 CA LEU A 22 7.698 -3.184 2.795 1.00 0.00 C ATOM 237 C LEU A 22 8.020 -4.132 3.946 1.00 0.00 C ATOM 238 O LEU A 22 8.913 -4.973 3.841 1.00 0.00 O ATOM 239 CB LEU A 22 6.662 -3.822 1.868 1.00 0.00 C ATOM 240 CG LEU A 22 5.683 -2.861 1.194 1.00 0.00 C ATOM 241 CD1 LEU A 22 5.139 -3.467 -0.090 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.547 -2.505 2.141 1.00 0.00 C ATOM 0 H LEU A 22 9.204 -3.559 1.385 1.00 0.00 H new ATOM 0 HA LEU A 22 7.286 -2.264 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.190 -4.375 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.089 -4.549 2.443 1.00 0.00 H new ATOM 0 HG LEU A 22 6.218 -1.946 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.444 -2.769 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.963 -3.670 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.620 -4.398 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.860 -1.820 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.013 -3.412 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.953 -2.028 3.033 1.00 0.00 H new ATOM 254 N PHE A 23 7.285 -3.992 5.044 1.00 0.00 N ATOM 255 CA PHE A 23 7.490 -4.836 6.215 1.00 0.00 C ATOM 256 C PHE A 23 6.171 -5.095 6.938 1.00 0.00 C ATOM 257 O PHE A 23 5.425 -4.164 7.243 1.00 0.00 O ATOM 258 CB PHE A 23 8.490 -4.183 7.172 1.00 0.00 C ATOM 259 CG PHE A 23 9.895 -4.153 6.642 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.692 -5.285 6.688 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.419 -2.991 6.099 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.985 -5.260 6.201 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.711 -2.960 5.610 1.00 0.00 C ATOM 264 CZ PHE A 23 12.495 -4.095 5.662 1.00 0.00 C ATOM 0 H PHE A 23 6.541 -3.301 5.147 1.00 0.00 H new ATOM 0 HA PHE A 23 7.892 -5.791 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.167 -3.163 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.479 -4.722 8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.298 -6.198 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.811 -2.099 6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 23 12.596 -6.150 6.242 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.107 -2.048 5.187 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.506 -4.072 5.282 1.00 0.00 H new ATOM 274 N TYR A 24 5.891 -6.365 7.208 1.00 0.00 N ATOM 275 CA TYR A 24 4.661 -6.748 7.892 1.00 0.00 C ATOM 276 C TYR A 24 4.956 -7.252 9.301 1.00 0.00 C ATOM 277 O TYR A 24 6.018 -7.818 9.562 1.00 0.00 O ATOM 278 CB TYR A 24 3.925 -7.826 7.095 1.00 0.00 C ATOM 279 CG TYR A 24 4.780 -9.030 6.772 1.00 0.00 C ATOM 280 CD1 TYR A 24 5.820 -8.942 5.854 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.548 -10.256 7.384 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.603 -10.040 5.555 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.327 -11.358 7.092 1.00 0.00 C ATOM 284 CZ TYR A 24 6.353 -11.246 6.176 1.00 0.00 C ATOM 285 OH TYR A 24 7.132 -12.341 5.882 1.00 0.00 O ATOM 0 H TYR A 24 6.499 -7.147 6.964 1.00 0.00 H new ATOM 0 HA TYR A 24 4.026 -5.865 7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.052 -8.152 7.661 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.558 -7.392 6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.019 -7.999 5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.745 -10.348 8.100 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.407 -9.955 4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.134 -12.303 7.578 1.00 0.00 H new ATOM 0 HH TYR A 24 6.825 -13.111 6.405 1.00 0.00 H new ATOM 295 N LYS A 25 4.007 -7.043 10.207 1.00 0.00 N ATOM 296 CA LYS A 25 4.161 -7.478 11.591 1.00 0.00 C ATOM 297 C LYS A 25 3.628 -8.894 11.779 1.00 0.00 C ATOM 298 O LYS A 25 2.425 -9.135 11.677 1.00 0.00 O ATOM 299 CB LYS A 25 3.431 -6.518 12.533 1.00 0.00 C ATOM 300 CG LYS A 25 3.763 -6.734 13.999 1.00 0.00 C ATOM 301 CD LYS A 25 5.014 -5.974 14.405 1.00 0.00 C ATOM 302 CE LYS A 25 5.534 -6.439 15.757 1.00 0.00 C ATOM 303 NZ LYS A 25 4.787 -5.814 16.883 1.00 0.00 N ATOM 0 H LYS A 25 3.123 -6.575 10.008 1.00 0.00 H new ATOM 0 HA LYS A 25 5.224 -7.474 11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.682 -5.493 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.356 -6.631 12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.924 -6.410 14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.905 -7.798 14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.787 -6.113 13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.796 -4.907 14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.452 -7.524 15.824 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.593 -6.194 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.891 -6.399 17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.167 -4.864 17.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.780 -5.742 16.634 1.00 0.00 H new ATOM 317 N LYS A 26 4.531 -9.829 12.055 1.00 0.00 N ATOM 318 CA LYS A 26 4.152 -11.222 12.260 1.00 0.00 C ATOM 319 C LYS A 26 4.895 -11.818 13.452 1.00 0.00 C ATOM 320 O LYS A 26 6.113 -11.680 13.569 1.00 0.00 O ATOM 321 CB LYS A 26 4.445 -12.043 11.002 1.00 0.00 C ATOM 322 CG LYS A 26 3.538 -13.250 10.839 1.00 0.00 C ATOM 323 CD LYS A 26 4.049 -14.189 9.759 1.00 0.00 C ATOM 324 CE LYS A 26 5.180 -15.067 10.273 1.00 0.00 C ATOM 325 NZ LYS A 26 5.793 -15.877 9.183 1.00 0.00 N ATOM 0 H LYS A 26 5.531 -9.647 12.142 1.00 0.00 H new ATOM 0 HA LYS A 26 3.082 -11.254 12.467 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.342 -11.401 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.481 -12.379 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.470 -13.786 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.531 -12.918 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.232 -14.817 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.397 -13.608 8.905 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.944 -14.442 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.800 -15.731 11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.559 -16.462 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.070 -16.493 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.178 -15.243 8.454 1.00 0.00 H new ATOM 339 N ASP A 27 4.154 -12.481 14.333 1.00 0.00 N ATOM 340 CA ASP A 27 4.743 -13.100 15.515 1.00 0.00 C ATOM 341 C ASP A 27 5.471 -12.064 16.366 1.00 0.00 C ATOM 342 O ASP A 27 6.538 -12.336 16.914 1.00 0.00 O ATOM 343 CB ASP A 27 5.710 -14.213 15.106 1.00 0.00 C ATOM 344 CG ASP A 27 5.873 -15.264 16.186 1.00 0.00 C ATOM 345 OD1 ASP A 27 5.638 -14.941 17.369 1.00 0.00 O ATOM 346 OD2 ASP A 27 6.237 -16.410 15.848 1.00 0.00 O ATOM 0 H ASP A 27 3.145 -12.604 14.251 1.00 0.00 H new ATOM 0 HA ASP A 27 3.937 -13.530 16.109 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.349 -14.687 14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.683 -13.779 14.876 1.00 0.00 H new ATOM 351 N ASN A 28 4.886 -10.875 16.470 1.00 0.00 N ATOM 352 CA ASN A 28 5.480 -9.797 17.253 1.00 0.00 C ATOM 353 C ASN A 28 6.848 -9.412 16.697 1.00 0.00 C ATOM 354 O ASN A 28 7.796 -9.196 17.451 1.00 0.00 O ATOM 355 CB ASN A 28 5.612 -10.216 18.718 1.00 0.00 C ATOM 356 CG ASN A 28 5.619 -9.028 19.661 1.00 0.00 C ATOM 357 OD1 ASN A 28 5.340 -7.899 19.256 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.938 -9.278 20.925 1.00 0.00 N ATOM 0 H ASN A 28 4.002 -10.634 16.022 1.00 0.00 H new ATOM 0 HA ASN A 28 4.823 -8.929 17.188 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.787 -10.879 18.979 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.532 -10.786 18.849 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.959 -8.518 21.605 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.162 -10.230 21.216 1.00 0.00 H new ATOM 365 N GLU A 29 6.940 -9.326 15.374 1.00 0.00 N ATOM 366 CA GLU A 29 8.192 -8.967 14.718 1.00 0.00 C ATOM 367 C GLU A 29 7.932 -8.384 13.332 1.00 0.00 C ATOM 368 O GLU A 29 6.911 -8.672 12.707 1.00 0.00 O ATOM 369 CB GLU A 29 9.105 -10.189 14.606 1.00 0.00 C ATOM 370 CG GLU A 29 10.578 -9.840 14.474 1.00 0.00 C ATOM 371 CD GLU A 29 11.486 -11.017 14.770 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.581 -11.412 15.950 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.102 -11.544 13.820 1.00 0.00 O ATOM 0 H GLU A 29 6.164 -9.500 14.736 1.00 0.00 H new ATOM 0 HA GLU A 29 8.686 -8.209 15.326 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.967 -10.817 15.486 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.802 -10.780 13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.773 -9.481 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.816 -9.022 15.154 1.00 0.00 H new ATOM 380 N PHE A 30 8.863 -7.563 12.857 1.00 0.00 N ATOM 381 CA PHE A 30 8.735 -6.938 11.546 1.00 0.00 C ATOM 382 C PHE A 30 9.508 -7.725 10.491 1.00 0.00 C ATOM 383 O PHE A 30 10.739 -7.755 10.500 1.00 0.00 O ATOM 384 CB PHE A 30 9.240 -5.495 11.594 1.00 0.00 C ATOM 385 CG PHE A 30 8.209 -4.515 12.076 1.00 0.00 C ATOM 386 CD1 PHE A 30 7.243 -4.024 11.213 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.207 -4.084 13.393 1.00 0.00 C ATOM 388 CE1 PHE A 30 6.293 -3.122 11.654 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.259 -3.183 13.840 1.00 0.00 C ATOM 390 CZ PHE A 30 6.302 -2.701 12.969 1.00 0.00 C ATOM 0 H PHE A 30 9.715 -7.315 13.361 1.00 0.00 H new ATOM 0 HA PHE A 30 7.680 -6.937 11.273 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.111 -5.445 12.248 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.571 -5.201 10.598 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.232 -4.350 10.183 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.955 -4.456 14.078 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.545 -2.747 10.971 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.267 -2.856 14.869 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.561 -1.996 13.316 1.00 0.00 H new ATOM 400 N LYS A 31 8.777 -8.361 9.582 1.00 0.00 N ATOM 401 CA LYS A 31 9.391 -9.148 8.519 1.00 0.00 C ATOM 402 C LYS A 31 9.320 -8.410 7.186 1.00 0.00 C ATOM 403 O LYS A 31 8.414 -7.609 6.958 1.00 0.00 O ATOM 404 CB LYS A 31 8.700 -10.508 8.399 1.00 0.00 C ATOM 405 CG LYS A 31 8.916 -11.409 9.603 1.00 0.00 C ATOM 406 CD LYS A 31 10.223 -12.177 9.496 1.00 0.00 C ATOM 407 CE LYS A 31 10.739 -12.592 10.865 1.00 0.00 C ATOM 408 NZ LYS A 31 10.153 -13.887 11.309 1.00 0.00 N ATOM 0 H LYS A 31 7.757 -8.347 9.560 1.00 0.00 H new ATOM 0 HA LYS A 31 10.440 -9.302 8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.630 -10.352 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.066 -11.015 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.919 -10.808 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.086 -12.111 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.076 -13.062 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.969 -11.559 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.825 -12.677 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.501 -11.817 11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.529 -14.135 12.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.118 -13.799 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.402 -14.632 10.628 1.00 0.00 H new ATOM 422 N GLU A 32 10.280 -8.687 6.310 1.00 0.00 N ATOM 423 CA GLU A 32 10.325 -8.049 4.999 1.00 0.00 C ATOM 424 C GLU A 32 9.370 -8.737 4.027 1.00 0.00 C ATOM 425 O GLU A 32 9.435 -9.950 3.828 1.00 0.00 O ATOM 426 CB GLU A 32 11.749 -8.080 4.440 1.00 0.00 C ATOM 427 CG GLU A 32 12.059 -6.926 3.502 1.00 0.00 C ATOM 428 CD GLU A 32 13.541 -6.797 3.207 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.314 -6.545 4.154 1.00 0.00 O ATOM 430 OE2 GLU A 32 13.927 -6.947 2.029 1.00 0.00 O ATOM 0 H GLU A 32 11.037 -9.348 6.484 1.00 0.00 H new ATOM 0 HA GLU A 32 10.012 -7.012 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.456 -8.063 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.902 -9.020 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.517 -7.067 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.698 -5.997 3.943 1.00 0.00 H new ATOM 437 N LYS A 33 8.483 -7.952 3.424 1.00 0.00 N ATOM 438 CA LYS A 33 7.515 -8.483 2.472 1.00 0.00 C ATOM 439 C LYS A 33 8.142 -8.645 1.091 1.00 0.00 C ATOM 440 O LYS A 33 7.934 -9.654 0.418 1.00 0.00 O ATOM 441 CB LYS A 33 6.296 -7.561 2.385 1.00 0.00 C ATOM 442 CG LYS A 33 5.155 -8.136 1.565 1.00 0.00 C ATOM 443 CD LYS A 33 4.267 -9.040 2.403 1.00 0.00 C ATOM 444 CE LYS A 33 3.188 -9.700 1.557 1.00 0.00 C ATOM 445 NZ LYS A 33 1.948 -8.877 1.498 1.00 0.00 N ATOM 0 H LYS A 33 8.415 -6.946 3.578 1.00 0.00 H new ATOM 0 HA LYS A 33 7.197 -9.464 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.938 -7.350 3.393 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.601 -6.609 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.559 -7.324 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.558 -8.699 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.875 -9.807 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.802 -8.459 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.566 -9.860 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.953 -10.681 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.238 -9.361 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.573 -8.745 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.166 -7.950 1.081 1.00 0.00 H new ATOM 459 N GLY A 34 8.913 -7.644 0.674 1.00 0.00 N ATOM 460 CA GLY A 34 9.559 -7.697 -0.624 1.00 0.00 C ATOM 461 C GLY A 34 9.863 -6.318 -1.176 1.00 0.00 C ATOM 462 O GLY A 34 9.033 -5.413 -1.093 1.00 0.00 O ATOM 0 H GLY A 34 9.101 -6.798 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.486 -8.265 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.918 -8.232 -1.324 1.00 0.00 H new ATOM 466 N ILE A 35 11.055 -6.158 -1.740 1.00 0.00 N ATOM 467 CA ILE A 35 11.466 -4.880 -2.308 1.00 0.00 C ATOM 468 C ILE A 35 10.707 -4.581 -3.596 1.00 0.00 C ATOM 469 O ILE A 35 10.473 -5.472 -4.412 1.00 0.00 O ATOM 470 CB ILE A 35 12.978 -4.852 -2.598 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.769 -5.173 -1.328 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.386 -3.497 -3.155 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.237 -5.438 -1.581 1.00 0.00 C ATOM 0 H ILE A 35 11.753 -6.897 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 35 11.233 -4.116 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 35 13.204 -5.612 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.673 -4.341 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.328 -6.046 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.458 -3.493 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.844 -3.306 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.150 -2.719 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.735 -5.658 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.342 -6.289 -2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.693 -4.558 -2.035 1.00 0.00 H new ATOM 485 N GLY A 36 10.326 -3.320 -3.773 1.00 0.00 N ATOM 486 CA GLY A 36 9.599 -2.925 -4.965 1.00 0.00 C ATOM 487 C GLY A 36 9.318 -1.436 -5.007 1.00 0.00 C ATOM 488 O GLY A 36 10.043 -0.642 -4.406 1.00 0.00 O ATOM 0 H GLY A 36 10.508 -2.565 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.173 -3.208 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.656 -3.471 -5.009 1.00 0.00 H new ATOM 492 N THR A 37 8.264 -1.054 -5.721 1.00 0.00 N ATOM 493 CA THR A 37 7.891 0.350 -5.842 1.00 0.00 C ATOM 494 C THR A 37 6.404 0.549 -5.573 1.00 0.00 C ATOM 495 O THR A 37 5.572 -0.246 -6.009 1.00 0.00 O ATOM 496 CB THR A 37 8.226 0.902 -7.241 1.00 0.00 C ATOM 497 OG1 THR A 37 9.585 0.596 -7.576 1.00 0.00 O ATOM 498 CG2 THR A 37 8.012 2.407 -7.294 1.00 0.00 C ATOM 0 H THR A 37 7.653 -1.697 -6.224 1.00 0.00 H new ATOM 0 HA THR A 37 8.469 0.896 -5.096 1.00 0.00 H new ATOM 0 HB THR A 37 7.559 0.430 -7.963 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.790 0.949 -8.467 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.255 2.774 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.970 2.635 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.657 2.892 -6.562 1.00 0.00 H new ATOM 506 N LEU A 38 6.076 1.616 -4.852 1.00 0.00 N ATOM 507 CA LEU A 38 4.688 1.921 -4.524 1.00 0.00 C ATOM 508 C LEU A 38 4.078 2.862 -5.558 1.00 0.00 C ATOM 509 O LEU A 38 4.716 3.822 -5.992 1.00 0.00 O ATOM 510 CB LEU A 38 4.597 2.547 -3.132 1.00 0.00 C ATOM 511 CG LEU A 38 3.224 3.084 -2.726 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.839 4.274 -3.591 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.172 1.989 -2.823 1.00 0.00 C ATOM 0 H LEU A 38 6.753 2.284 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 38 4.126 0.987 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.904 1.801 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.316 3.364 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 38 3.278 3.417 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.859 4.643 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.578 5.066 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.803 3.968 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.202 2.390 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.120 1.625 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.440 1.167 -2.159 1.00 0.00 H new ATOM 525 N HIS A 39 2.839 2.582 -5.948 1.00 0.00 N ATOM 526 CA HIS A 39 2.141 3.406 -6.930 1.00 0.00 C ATOM 527 C HIS A 39 0.719 3.712 -6.469 1.00 0.00 C ATOM 528 O HIS A 39 -0.043 2.807 -6.128 1.00 0.00 O ATOM 529 CB HIS A 39 2.110 2.703 -8.287 1.00 0.00 C ATOM 530 CG HIS A 39 3.450 2.626 -8.952 1.00 0.00 C ATOM 531 ND1 HIS A 39 4.024 3.691 -9.613 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.330 1.602 -9.055 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.199 3.326 -10.095 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.408 2.063 -9.770 1.00 0.00 N ATOM 0 H HIS A 39 2.297 1.791 -5.600 1.00 0.00 H new ATOM 0 HA HIS A 39 2.682 4.347 -7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.720 1.694 -8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.417 3.229 -8.944 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.207 0.608 -8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.873 3.954 -10.659 1.00 0.00 H new ATOM 0 HE2 HIS A 39 6.236 1.518 -10.011 1.00 0.00 H new ATOM 542 N LEU A 40 0.369 4.993 -6.462 1.00 0.00 N ATOM 543 CA LEU A 40 -0.962 5.420 -6.043 1.00 0.00 C ATOM 544 C LEU A 40 -1.791 5.872 -7.241 1.00 0.00 C ATOM 545 O LEU A 40 -1.545 6.932 -7.816 1.00 0.00 O ATOM 546 CB LEU A 40 -0.858 6.555 -5.023 1.00 0.00 C ATOM 547 CG LEU A 40 -0.763 6.133 -3.556 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.343 7.309 -2.688 1.00 0.00 C ATOM 549 CD2 LEU A 40 -2.090 5.562 -3.078 1.00 0.00 C ATOM 0 H LEU A 40 0.988 5.754 -6.741 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.461 4.568 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.019 7.155 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.728 7.201 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.004 5.356 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.281 6.989 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.631 7.673 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.078 8.109 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.004 5.267 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.869 6.318 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.349 4.691 -3.680 1.00 0.00 H new ATOM 561 N LYS A 41 -2.778 5.062 -7.610 1.00 0.00 N ATOM 562 CA LYS A 41 -3.647 5.379 -8.737 1.00 0.00 C ATOM 563 C LYS A 41 -5.064 5.685 -8.262 1.00 0.00 C ATOM 564 O LYS A 41 -5.648 4.954 -7.462 1.00 0.00 O ATOM 565 CB LYS A 41 -3.671 4.216 -9.732 1.00 0.00 C ATOM 566 CG LYS A 41 -4.073 2.891 -9.109 1.00 0.00 C ATOM 567 CD LYS A 41 -3.793 1.727 -10.044 1.00 0.00 C ATOM 568 CE LYS A 41 -2.374 1.205 -9.875 1.00 0.00 C ATOM 569 NZ LYS A 41 -1.405 1.947 -10.728 1.00 0.00 N ATOM 0 H LYS A 41 -2.996 4.181 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.249 6.265 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.364 4.454 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.683 4.112 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.530 2.747 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.134 2.912 -8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.503 0.923 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.945 2.043 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.078 1.291 -8.830 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.344 0.145 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.944 1.286 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.908 2.679 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.685 2.396 -10.126 1.00 0.00 H new ATOM 583 N PRO A 42 -5.632 6.790 -8.766 1.00 0.00 N ATOM 584 CA PRO A 42 -6.988 7.217 -8.408 1.00 0.00 C ATOM 585 C PRO A 42 -8.057 6.290 -8.978 1.00 0.00 C ATOM 586 O PRO A 42 -8.025 5.938 -10.158 1.00 0.00 O ATOM 587 CB PRO A 42 -7.099 8.609 -9.035 1.00 0.00 C ATOM 588 CG PRO A 42 -6.127 8.595 -10.164 1.00 0.00 C ATOM 589 CD PRO A 42 -4.995 7.709 -9.724 1.00 0.00 C ATOM 0 HA PRO A 42 -7.147 7.206 -7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.112 8.805 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.856 9.389 -8.313 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.591 8.213 -11.074 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.772 9.601 -10.386 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.555 7.172 -10.564 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.194 8.283 -9.258 1.00 0.00 H new ATOM 597 N THR A 43 -9.004 5.895 -8.132 1.00 0.00 N ATOM 598 CA THR A 43 -10.082 5.008 -8.551 1.00 0.00 C ATOM 599 C THR A 43 -11.245 5.797 -9.142 1.00 0.00 C ATOM 600 O THR A 43 -11.353 7.006 -8.939 1.00 0.00 O ATOM 601 CB THR A 43 -10.597 4.157 -7.376 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.500 4.926 -6.573 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.443 3.663 -6.518 1.00 0.00 C ATOM 0 H THR A 43 -9.046 6.176 -7.152 1.00 0.00 H new ATOM 0 HA THR A 43 -9.670 4.348 -9.314 1.00 0.00 H new ATOM 0 HB THR A 43 -11.120 3.293 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.945 4.338 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.832 3.064 -5.695 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.773 3.054 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.895 4.517 -6.119 1.00 0.00 H new ATOM 611 N ALA A 44 -12.113 5.105 -9.872 1.00 0.00 N ATOM 612 CA ALA A 44 -13.270 5.741 -10.490 1.00 0.00 C ATOM 613 C ALA A 44 -13.893 6.773 -9.556 1.00 0.00 C ATOM 614 O ALA A 44 -14.402 7.800 -10.002 1.00 0.00 O ATOM 615 CB ALA A 44 -14.300 4.693 -10.885 1.00 0.00 C ATOM 0 H ALA A 44 -12.037 4.104 -10.050 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.933 6.259 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.159 5.182 -11.345 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.856 3.996 -11.595 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.625 4.149 -9.998 1.00 0.00 H new ATOM 621 N ASN A 45 -13.849 6.491 -8.258 1.00 0.00 N ATOM 622 CA ASN A 45 -14.411 7.395 -7.260 1.00 0.00 C ATOM 623 C ASN A 45 -13.324 8.273 -6.648 1.00 0.00 C ATOM 624 O ASN A 45 -12.150 8.156 -6.997 1.00 0.00 O ATOM 625 CB ASN A 45 -15.119 6.599 -6.161 1.00 0.00 C ATOM 626 CG ASN A 45 -16.364 5.897 -6.667 1.00 0.00 C ATOM 627 OD1 ASN A 45 -17.286 6.534 -7.177 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.397 4.577 -6.526 1.00 0.00 N ATOM 0 H ASN A 45 -13.430 5.644 -7.872 1.00 0.00 H new ATOM 0 HA ASN A 45 -15.136 8.039 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.431 5.861 -5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.390 7.271 -5.346 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.209 4.050 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.610 4.090 -6.097 1.00 0.00 H new ATOM 635 N GLN A 46 -13.725 9.151 -5.734 1.00 0.00 N ATOM 636 CA GLN A 46 -12.785 10.049 -5.074 1.00 0.00 C ATOM 637 C GLN A 46 -11.818 9.269 -4.188 1.00 0.00 C ATOM 638 O GLN A 46 -10.908 9.842 -3.589 1.00 0.00 O ATOM 639 CB GLN A 46 -13.538 11.085 -4.238 1.00 0.00 C ATOM 640 CG GLN A 46 -12.778 12.389 -4.057 1.00 0.00 C ATOM 641 CD GLN A 46 -12.722 13.213 -5.328 1.00 0.00 C ATOM 642 OE1 GLN A 46 -12.603 12.672 -6.428 1.00 0.00 O ATOM 643 NE2 GLN A 46 -12.809 14.531 -5.185 1.00 0.00 N ATOM 0 H GLN A 46 -14.694 9.259 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.210 10.563 -5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.496 11.296 -4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.754 10.661 -3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.252 12.975 -3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.763 12.170 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.907 14.938 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.778 15.136 -6.006 1.00 0.00 H new ATOM 652 N LYS A 47 -12.022 7.959 -4.109 1.00 0.00 N ATOM 653 CA LYS A 47 -11.169 7.099 -3.298 1.00 0.00 C ATOM 654 C LYS A 47 -9.769 7.000 -3.896 1.00 0.00 C ATOM 655 O LYS A 47 -9.512 7.508 -4.989 1.00 0.00 O ATOM 656 CB LYS A 47 -11.783 5.702 -3.179 1.00 0.00 C ATOM 657 CG LYS A 47 -12.697 5.540 -1.976 1.00 0.00 C ATOM 658 CD LYS A 47 -13.788 4.516 -2.239 1.00 0.00 C ATOM 659 CE LYS A 47 -14.797 4.473 -1.102 1.00 0.00 C ATOM 660 NZ LYS A 47 -14.149 4.162 0.203 1.00 0.00 N ATOM 0 H LYS A 47 -12.772 7.469 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.091 7.541 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.347 5.484 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.981 4.966 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.110 5.233 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.150 6.500 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.299 4.758 -3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.340 3.530 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.309 5.433 -1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.557 3.722 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.881 3.975 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.544 3.323 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.570 4.971 0.505 1.00 0.00 H new ATOM 674 N THR A 48 -8.866 6.343 -3.174 1.00 0.00 N ATOM 675 CA THR A 48 -7.493 6.178 -3.634 1.00 0.00 C ATOM 676 C THR A 48 -7.046 4.725 -3.521 1.00 0.00 C ATOM 677 O THR A 48 -7.180 4.106 -2.466 1.00 0.00 O ATOM 678 CB THR A 48 -6.522 7.066 -2.833 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.930 8.436 -2.914 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.101 6.923 -3.356 1.00 0.00 C ATOM 0 H THR A 48 -9.061 5.917 -2.268 1.00 0.00 H new ATOM 0 HA THR A 48 -7.472 6.481 -4.681 1.00 0.00 H new ATOM 0 HB THR A 48 -6.543 6.742 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.812 8.865 -2.041 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.434 7.559 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.783 5.885 -3.265 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.067 7.222 -4.404 1.00 0.00 H new ATOM 688 N GLN A 49 -6.516 4.188 -4.614 1.00 0.00 N ATOM 689 CA GLN A 49 -6.049 2.806 -4.636 1.00 0.00 C ATOM 690 C GLN A 49 -4.574 2.724 -4.259 1.00 0.00 C ATOM 691 O GLN A 49 -3.796 3.634 -4.549 1.00 0.00 O ATOM 692 CB GLN A 49 -6.268 2.194 -6.021 1.00 0.00 C ATOM 693 CG GLN A 49 -6.146 0.679 -6.042 1.00 0.00 C ATOM 694 CD GLN A 49 -6.137 0.114 -7.449 1.00 0.00 C ATOM 695 OE1 GLN A 49 -6.611 0.752 -8.390 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.596 -1.089 -7.601 1.00 0.00 N ATOM 0 H GLN A 49 -6.399 4.687 -5.496 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.625 2.242 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.257 2.476 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.543 2.618 -6.716 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.229 0.385 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.976 0.244 -5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.215 -1.582 -6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.562 -1.520 -8.525 1.00 0.00 H new ATOM 705 N LEU A 50 -4.195 1.628 -3.609 1.00 0.00 N ATOM 706 CA LEU A 50 -2.812 1.427 -3.191 1.00 0.00 C ATOM 707 C LEU A 50 -2.251 0.132 -3.770 1.00 0.00 C ATOM 708 O LEU A 50 -2.737 -0.958 -3.466 1.00 0.00 O ATOM 709 CB LEU A 50 -2.720 1.398 -1.664 1.00 0.00 C ATOM 710 CG LEU A 50 -1.320 1.573 -1.073 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.408 0.439 -1.516 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.736 2.919 -1.476 1.00 0.00 C ATOM 0 H LEU A 50 -4.826 0.866 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.219 2.259 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.362 2.184 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.125 0.449 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.399 1.544 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.584 0.580 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.819 -0.512 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.335 0.435 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.260 3.027 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.671 2.977 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.378 3.719 -1.108 1.00 0.00 H new ATOM 724 N LEU A 51 -1.225 0.259 -4.604 1.00 0.00 N ATOM 725 CA LEU A 51 -0.595 -0.901 -5.224 1.00 0.00 C ATOM 726 C LEU A 51 0.925 -0.793 -5.165 1.00 0.00 C ATOM 727 O LEU A 51 1.479 0.306 -5.125 1.00 0.00 O ATOM 728 CB LEU A 51 -1.052 -1.037 -6.678 1.00 0.00 C ATOM 729 CG LEU A 51 -0.422 -2.180 -7.475 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.031 -3.513 -7.069 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.593 -1.946 -8.969 1.00 0.00 C ATOM 0 H LEU A 51 -0.812 1.154 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.899 -1.788 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.134 -1.168 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.840 -0.101 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 51 0.645 -2.208 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.570 -4.314 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.856 -3.684 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.104 -3.497 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.139 -2.769 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.655 -1.890 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.108 -1.011 -9.249 1.00 0.00 H new ATOM 743 N VAL A 52 1.596 -1.941 -5.161 1.00 0.00 N ATOM 744 CA VAL A 52 3.052 -1.975 -5.110 1.00 0.00 C ATOM 745 C VAL A 52 3.611 -3.023 -6.066 1.00 0.00 C ATOM 746 O VAL A 52 3.217 -4.189 -6.024 1.00 0.00 O ATOM 747 CB VAL A 52 3.557 -2.274 -3.686 1.00 0.00 C ATOM 748 CG1 VAL A 52 5.071 -2.415 -3.674 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.108 -1.186 -2.722 1.00 0.00 C ATOM 0 H VAL A 52 1.154 -2.860 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 52 3.402 -0.988 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 52 3.125 -3.220 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.409 -2.626 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.365 -3.233 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.526 -1.488 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.474 -1.414 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.509 -0.225 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.019 -1.139 -2.709 1.00 0.00 H new ATOM 759 N ARG A 53 4.532 -2.601 -6.926 1.00 0.00 N ATOM 760 CA ARG A 53 5.145 -3.503 -7.893 1.00 0.00 C ATOM 761 C ARG A 53 6.440 -4.093 -7.341 1.00 0.00 C ATOM 762 O ARG A 53 7.329 -3.363 -6.903 1.00 0.00 O ATOM 763 CB ARG A 53 5.426 -2.765 -9.203 1.00 0.00 C ATOM 764 CG ARG A 53 6.226 -3.584 -10.204 1.00 0.00 C ATOM 765 CD ARG A 53 5.317 -4.387 -11.120 1.00 0.00 C ATOM 766 NE ARG A 53 4.509 -5.352 -10.380 1.00 0.00 N ATOM 767 CZ ARG A 53 3.363 -5.850 -10.831 1.00 0.00 C ATOM 768 NH1 ARG A 53 2.893 -5.476 -12.013 1.00 0.00 N ATOM 769 NH2 ARG A 53 2.684 -6.725 -10.099 1.00 0.00 N ATOM 0 H ARG A 53 4.870 -1.640 -6.973 1.00 0.00 H new ATOM 0 HA ARG A 53 4.448 -4.318 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.479 -2.476 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.968 -1.845 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.852 -2.921 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.895 -4.259 -9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.662 -3.708 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.921 -4.912 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 53 4.843 -5.661 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.412 -4.804 -12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.013 -5.860 -12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.042 -7.016 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.804 -7.107 -10.446 1.00 0.00 H new ATOM 783 N ALA A 54 6.538 -5.418 -7.367 1.00 0.00 N ATOM 784 CA ALA A 54 7.724 -6.106 -6.871 1.00 0.00 C ATOM 785 C ALA A 54 8.832 -6.113 -7.918 1.00 0.00 C ATOM 786 O ALA A 54 8.575 -5.936 -9.109 1.00 0.00 O ATOM 787 CB ALA A 54 7.375 -7.528 -6.459 1.00 0.00 C ATOM 0 H ALA A 54 5.811 -6.036 -7.726 1.00 0.00 H new ATOM 0 HA ALA A 54 8.089 -5.566 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.270 -8.030 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.622 -7.504 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.983 -8.070 -7.319 1.00 0.00 H new ATOM 793 N ASP A 55 10.065 -6.317 -7.466 1.00 0.00 N ATOM 794 CA ASP A 55 11.213 -6.347 -8.365 1.00 0.00 C ATOM 795 C ASP A 55 11.670 -7.781 -8.614 1.00 0.00 C ATOM 796 O ASP A 55 12.294 -8.404 -7.755 1.00 0.00 O ATOM 797 CB ASP A 55 12.365 -5.526 -7.783 1.00 0.00 C ATOM 798 CG ASP A 55 12.262 -4.055 -8.137 1.00 0.00 C ATOM 799 OD1 ASP A 55 11.127 -3.542 -8.216 1.00 0.00 O ATOM 800 OD2 ASP A 55 13.318 -3.417 -8.335 1.00 0.00 O ATOM 0 H ASP A 55 10.295 -6.464 -6.483 1.00 0.00 H new ATOM 0 HA ASP A 55 10.910 -5.910 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.375 -5.636 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.312 -5.920 -8.152 1.00 0.00 H new ATOM 859 N ASN A 60 5.566 -9.440 -10.004 1.00 0.00 N ATOM 860 CA ASN A 60 4.468 -9.975 -9.206 1.00 0.00 C ATOM 861 C ASN A 60 3.874 -8.896 -8.306 1.00 0.00 C ATOM 862 O ASN A 60 4.561 -7.952 -7.915 1.00 0.00 O ATOM 863 CB ASN A 60 4.953 -11.152 -8.358 1.00 0.00 C ATOM 864 CG ASN A 60 5.503 -10.711 -7.016 1.00 0.00 C ATOM 865 OD1 ASN A 60 4.769 -10.206 -6.167 1.00 0.00 O ATOM 866 ND2 ASN A 60 6.803 -10.899 -6.819 1.00 0.00 N ATOM 0 HA ASN A 60 3.692 -10.323 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.128 -11.846 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.725 -11.695 -8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.230 -10.621 -5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.374 -11.322 -7.551 1.00 0.00 H new ATOM 873 N ILE A 61 2.594 -9.043 -7.981 1.00 0.00 N ATOM 874 CA ILE A 61 1.908 -8.083 -7.125 1.00 0.00 C ATOM 875 C ILE A 61 2.249 -8.313 -5.657 1.00 0.00 C ATOM 876 O ILE A 61 1.995 -9.387 -5.110 1.00 0.00 O ATOM 877 CB ILE A 61 0.381 -8.160 -7.305 1.00 0.00 C ATOM 878 CG1 ILE A 61 0.000 -7.863 -8.757 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.313 -7.189 -6.361 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.423 -8.247 -9.099 1.00 0.00 C ATOM 0 H ILE A 61 2.011 -9.818 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 61 2.251 -7.092 -7.423 1.00 0.00 H new ATOM 0 HB ILE A 61 0.052 -9.171 -7.063 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.137 -6.799 -8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.681 -8.397 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.392 -7.255 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.064 -7.442 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.019 -6.173 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.623 -8.008 -10.143 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.560 -9.316 -8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.112 -7.693 -8.462 1.00 0.00 H new ATOM 892 N LEU A 62 2.824 -7.298 -5.022 1.00 0.00 N ATOM 893 CA LEU A 62 3.198 -7.388 -3.615 1.00 0.00 C ATOM 894 C LEU A 62 2.004 -7.090 -2.714 1.00 0.00 C ATOM 895 O LEU A 62 1.638 -7.901 -1.862 1.00 0.00 O ATOM 896 CB LEU A 62 4.339 -6.417 -3.307 1.00 0.00 C ATOM 897 CG LEU A 62 5.748 -6.907 -3.646 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.763 -5.793 -3.444 1.00 0.00 C ATOM 899 CD2 LEU A 62 6.108 -8.120 -2.801 1.00 0.00 C ATOM 0 H LEU A 62 3.042 -6.403 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 62 3.533 -8.406 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.158 -5.490 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.306 -6.174 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 62 5.767 -7.202 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.760 -6.160 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.515 -4.953 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.743 -5.467 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.114 -8.455 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.071 -7.852 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.398 -8.923 -2.996 1.00 0.00 H new ATOM 911 N LEU A 63 1.400 -5.923 -2.909 1.00 0.00 N ATOM 912 CA LEU A 63 0.245 -5.518 -2.115 1.00 0.00 C ATOM 913 C LEU A 63 -0.689 -4.627 -2.928 1.00 0.00 C ATOM 914 O LEU A 63 -0.247 -3.691 -3.593 1.00 0.00 O ATOM 915 CB LEU A 63 0.700 -4.783 -0.854 1.00 0.00 C ATOM 916 CG LEU A 63 -0.409 -4.186 0.014 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.213 -5.289 0.685 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.176 -3.242 1.053 1.00 0.00 C ATOM 0 H LEU A 63 1.691 -5.241 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.300 -6.417 -1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.278 -5.476 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.374 -3.979 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.079 -3.615 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.997 -4.846 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.664 -5.925 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.555 -5.888 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.628 -2.827 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.869 -3.789 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.706 -2.433 0.551 1.00 0.00 H new ATOM 930 N ASN A 64 -1.983 -4.923 -2.867 1.00 0.00 N ATOM 931 CA ASN A 64 -2.980 -4.147 -3.597 1.00 0.00 C ATOM 932 C ASN A 64 -4.267 -4.019 -2.788 1.00 0.00 C ATOM 933 O ASN A 64 -5.046 -4.966 -2.686 1.00 0.00 O ATOM 934 CB ASN A 64 -3.276 -4.801 -4.948 1.00 0.00 C ATOM 935 CG ASN A 64 -4.011 -3.869 -5.892 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.240 -2.701 -5.576 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.386 -4.383 -7.058 1.00 0.00 N ATOM 0 H ASN A 64 -2.366 -5.694 -2.320 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.576 -3.149 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.340 -5.117 -5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.873 -5.699 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.885 -3.804 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.175 -5.356 -7.278 1.00 0.00 H new ATOM 944 N VAL A 65 -4.484 -2.839 -2.215 1.00 0.00 N ATOM 945 CA VAL A 65 -5.678 -2.585 -1.417 1.00 0.00 C ATOM 946 C VAL A 65 -6.161 -1.150 -1.593 1.00 0.00 C ATOM 947 O VAL A 65 -5.519 -0.345 -2.269 1.00 0.00 O ATOM 948 CB VAL A 65 -5.419 -2.848 0.079 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.206 -4.333 0.331 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.224 -2.040 0.562 1.00 0.00 C ATOM 0 H VAL A 65 -3.849 -2.044 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.448 -3.271 -1.771 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.296 -2.530 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.025 -4.499 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.094 -4.885 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.347 -4.680 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.055 -2.238 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.339 -2.325 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.421 -0.978 0.418 1.00 0.00 H new ATOM 960 N LEU A 66 -7.298 -0.836 -0.982 1.00 0.00 N ATOM 961 CA LEU A 66 -7.869 0.504 -1.070 1.00 0.00 C ATOM 962 C LEU A 66 -7.772 1.227 0.270 1.00 0.00 C ATOM 963 O LEU A 66 -8.091 0.661 1.316 1.00 0.00 O ATOM 964 CB LEU A 66 -9.330 0.428 -1.517 1.00 0.00 C ATOM 965 CG LEU A 66 -10.097 1.751 -1.531 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.562 2.667 -2.621 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.586 1.502 -1.724 1.00 0.00 C ATOM 0 H LEU A 66 -7.843 -1.490 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.298 1.068 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.361 0.003 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.854 -0.266 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.953 2.243 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.120 3.603 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.507 2.872 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.675 2.183 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.116 2.454 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.749 0.988 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.960 0.885 -0.907 1.00 0.00 H new ATOM 979 N ILE A 67 -7.333 2.480 0.229 1.00 0.00 N ATOM 980 CA ILE A 67 -7.198 3.281 1.440 1.00 0.00 C ATOM 981 C ILE A 67 -8.554 3.516 2.097 1.00 0.00 C ATOM 982 O ILE A 67 -9.449 4.139 1.526 1.00 0.00 O ATOM 983 CB ILE A 67 -6.540 4.642 1.144 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.122 4.441 0.606 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.520 5.504 2.397 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.491 5.710 0.078 1.00 0.00 C ATOM 0 H ILE A 67 -7.065 2.963 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.559 2.719 2.121 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.128 5.155 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.495 4.036 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.146 3.698 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.052 6.462 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.541 5.670 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.953 4.998 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.487 5.493 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.096 6.105 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.434 6.448 0.878 1.00 0.00 H new ATOM 998 N PRO A 68 -8.710 3.008 3.329 1.00 0.00 N ATOM 999 CA PRO A 68 -9.953 3.152 4.093 1.00 0.00 C ATOM 1000 C PRO A 68 -10.190 4.588 4.549 1.00 0.00 C ATOM 1001 O PRO A 68 -9.311 5.445 4.461 1.00 0.00 O ATOM 1002 CB PRO A 68 -9.735 2.236 5.300 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.256 2.164 5.459 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.685 2.254 4.070 1.00 0.00 C ATOM 0 HA PRO A 68 -10.830 2.895 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.210 2.640 6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.163 1.248 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.891 2.978 6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.960 1.233 5.943 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.724 2.768 4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.521 1.267 3.638 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.405 4.858 5.048 1.00 0.00 N ATOM 1013 CA PRO A 69 -11.785 6.189 5.529 1.00 0.00 C ATOM 1014 C PRO A 69 -11.063 6.568 6.818 1.00 0.00 C ATOM 1015 O PRO A 69 -10.821 7.745 7.081 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.290 6.060 5.777 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.509 4.609 6.031 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.501 3.884 5.183 1.00 0.00 C ATOM 0 HA PRO A 69 -11.522 6.970 4.816 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.604 6.663 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.864 6.402 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.373 4.373 7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.525 4.315 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.164 2.963 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.916 3.609 4.213 1.00 0.00 H new ATOM 1026 N ASN A 70 -10.722 5.562 7.617 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.027 5.791 8.879 1.00 0.00 C ATOM 1028 C ASN A 70 -8.758 4.949 8.962 1.00 0.00 C ATOM 1029 O ASN A 70 -8.818 3.735 9.154 1.00 0.00 O ATOM 1030 CB ASN A 70 -10.947 5.465 10.058 1.00 0.00 C ATOM 1031 CG ASN A 70 -11.761 6.663 10.505 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -11.215 7.732 10.777 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -13.076 6.490 10.582 1.00 0.00 N ATOM 0 H ASN A 70 -10.915 4.581 7.413 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.747 6.843 8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.621 4.656 9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.348 5.104 10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.675 7.261 10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.486 5.586 10.347 1.00 0.00 H new ATOM 1040 N MET A 71 -7.610 5.602 8.815 1.00 0.00 N ATOM 1041 CA MET A 71 -6.326 4.914 8.875 1.00 0.00 C ATOM 1042 C MET A 71 -5.355 5.653 9.790 1.00 0.00 C ATOM 1043 O MET A 71 -5.121 6.853 9.647 1.00 0.00 O ATOM 1044 CB MET A 71 -5.726 4.785 7.473 1.00 0.00 C ATOM 1045 CG MET A 71 -4.342 4.157 7.460 1.00 0.00 C ATOM 1046 SD MET A 71 -3.040 5.337 7.864 1.00 0.00 S ATOM 1047 CE MET A 71 -3.021 6.341 6.381 1.00 0.00 C ATOM 0 H MET A 71 -7.543 6.607 8.653 1.00 0.00 H new ATOM 0 HA MET A 71 -6.495 3.918 9.283 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.394 4.185 6.855 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.672 5.774 7.018 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.314 3.333 8.173 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.149 3.732 6.475 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.006 6.389 5.987 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.680 5.899 5.634 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.366 7.347 6.619 1.00 0.00 H new ATOM 1057 N PRO A 72 -4.775 4.922 10.754 1.00 0.00 N ATOM 1058 CA PRO A 72 -3.820 5.488 11.711 1.00 0.00 C ATOM 1059 C PRO A 72 -2.493 5.856 11.056 1.00 0.00 C ATOM 1060 O PRO A 72 -1.871 5.032 10.386 1.00 0.00 O ATOM 1061 CB PRO A 72 -3.621 4.358 12.724 1.00 0.00 C ATOM 1062 CG PRO A 72 -3.935 3.112 11.969 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.007 3.486 10.983 1.00 0.00 C ATOM 0 HA PRO A 72 -4.186 6.415 12.153 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.600 4.343 13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.280 4.477 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.050 2.731 11.458 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.279 2.325 12.640 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.921 2.913 10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.004 3.299 11.383 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.065 7.098 11.256 1.00 0.00 N ATOM 1072 CA CYS A 73 -0.811 7.576 10.684 1.00 0.00 C ATOM 1073 C CYS A 73 0.211 7.861 11.779 1.00 0.00 C ATOM 1074 O CYS A 73 -0.039 8.655 12.687 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.053 8.837 9.854 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.801 10.198 10.780 1.00 0.00 S ATOM 0 H CYS A 73 -2.568 7.792 11.810 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.414 6.795 10.036 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.103 9.173 9.438 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -1.698 8.587 9.012 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.393 10.159 12.014 1.00 0.00 H new ATOM 1082 N THR A 74 1.365 7.206 11.689 1.00 0.00 N ATOM 1083 CA THR A 74 2.425 7.387 12.673 1.00 0.00 C ATOM 1084 C THR A 74 3.801 7.303 12.021 1.00 0.00 C ATOM 1085 O THR A 74 3.995 6.568 11.053 1.00 0.00 O ATOM 1086 CB THR A 74 2.336 6.334 13.794 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.751 5.129 13.289 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.510 6.855 14.960 1.00 0.00 C ATOM 0 H THR A 74 1.589 6.546 10.945 1.00 0.00 H new ATOM 0 HA THR A 74 2.290 8.379 13.104 1.00 0.00 H new ATOM 0 HB THR A 74 3.346 6.126 14.148 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.700 4.464 14.007 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.461 6.095 15.739 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.974 7.756 15.361 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.502 7.088 14.616 1.00 0.00 H new ATOM 1096 N ARG A 75 4.752 8.061 12.557 1.00 0.00 N ATOM 1097 CA ARG A 75 6.109 8.072 12.027 1.00 0.00 C ATOM 1098 C ARG A 75 7.106 7.579 13.072 1.00 0.00 C ATOM 1099 O ARG A 75 6.914 7.780 14.272 1.00 0.00 O ATOM 1100 CB ARG A 75 6.489 9.482 11.570 1.00 0.00 C ATOM 1101 CG ARG A 75 7.618 9.509 10.552 1.00 0.00 C ATOM 1102 CD ARG A 75 7.085 9.529 9.128 1.00 0.00 C ATOM 1103 NE ARG A 75 6.925 10.890 8.624 1.00 0.00 N ATOM 1104 CZ ARG A 75 7.932 11.745 8.480 1.00 0.00 C ATOM 1105 NH1 ARG A 75 9.165 11.380 8.801 1.00 0.00 N ATOM 1106 NH2 ARG A 75 7.706 12.966 8.014 1.00 0.00 N ATOM 0 H ARG A 75 4.607 8.675 13.358 1.00 0.00 H new ATOM 0 HA ARG A 75 6.143 7.398 11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.611 9.964 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.781 10.070 12.440 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.240 10.388 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.255 8.636 10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.766 8.979 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.125 9.014 9.093 1.00 0.00 H new ATOM 0 HE ARG A 75 5.988 11.202 8.368 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.342 10.442 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.937 12.038 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.758 13.250 7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.480 13.621 7.904 1.00 0.00 H new ATOM 1120 N THR A 76 8.171 6.933 12.608 1.00 0.00 N ATOM 1121 CA THR A 76 9.196 6.409 13.502 1.00 0.00 C ATOM 1122 C THR A 76 10.559 6.384 12.820 1.00 0.00 C ATOM 1123 O THR A 76 10.658 6.538 11.603 1.00 0.00 O ATOM 1124 CB THR A 76 8.849 4.988 13.984 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.916 4.469 14.787 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.600 4.062 12.803 1.00 0.00 C ATOM 0 H THR A 76 8.346 6.760 11.618 1.00 0.00 H new ATOM 0 HA THR A 76 9.236 7.076 14.363 1.00 0.00 H new ATOM 0 HB THR A 76 7.939 5.043 14.581 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.687 3.566 15.091 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.357 3.064 13.168 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.769 4.444 12.210 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.496 4.013 12.184 1.00 0.00 H new ATOM 1134 N GLY A 77 11.609 6.188 13.612 1.00 0.00 N ATOM 1135 CA GLY A 77 12.953 6.145 13.066 1.00 0.00 C ATOM 1136 C GLY A 77 13.250 7.327 12.165 1.00 0.00 C ATOM 1137 O GLY A 77 12.426 8.230 12.020 1.00 0.00 O ATOM 0 H GLY A 77 11.553 6.058 14.622 1.00 0.00 H new ATOM 0 HA2 GLY A 77 13.674 6.125 13.884 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.084 5.221 12.503 1.00 0.00 H new ATOM 1141 N LYS A 78 14.433 7.325 11.560 1.00 0.00 N ATOM 1142 CA LYS A 78 14.839 8.405 10.669 1.00 0.00 C ATOM 1143 C LYS A 78 13.864 8.545 9.504 1.00 0.00 C ATOM 1144 O LYS A 78 13.344 9.630 9.245 1.00 0.00 O ATOM 1145 CB LYS A 78 16.252 8.152 10.138 1.00 0.00 C ATOM 1146 CG LYS A 78 16.744 9.226 9.183 1.00 0.00 C ATOM 1147 CD LYS A 78 18.261 9.238 9.092 1.00 0.00 C ATOM 1148 CE LYS A 78 18.785 8.011 8.362 1.00 0.00 C ATOM 1149 NZ LYS A 78 18.784 8.201 6.885 1.00 0.00 N ATOM 0 H LYS A 78 15.128 6.587 11.671 1.00 0.00 H new ATOM 0 HA LYS A 78 14.833 9.334 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.941 8.083 10.980 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.273 7.188 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.320 9.056 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.391 10.201 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.588 10.139 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.686 9.275 10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.798 7.793 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.171 7.147 8.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.425 7.509 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.821 8.063 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.106 9.164 6.659 1.00 0.00 H new ATOM 1163 N ASN A 79 13.621 7.441 8.805 1.00 0.00 N ATOM 1164 CA ASN A 79 12.708 7.441 7.669 1.00 0.00 C ATOM 1165 C ASN A 79 11.847 6.181 7.662 1.00 0.00 C ATOM 1166 O ASN A 79 12.303 5.108 7.270 1.00 0.00 O ATOM 1167 CB ASN A 79 13.491 7.544 6.358 1.00 0.00 C ATOM 1168 CG ASN A 79 14.885 6.958 6.471 1.00 0.00 C ATOM 1169 OD1 ASN A 79 15.877 7.687 6.499 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.967 5.634 6.535 1.00 0.00 N ATOM 0 H ASN A 79 14.044 6.535 9.006 1.00 0.00 H new ATOM 0 HA ASN A 79 12.053 8.307 7.762 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.945 7.026 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.562 8.590 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.879 5.183 6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.118 5.069 6.508 1.00 0.00 H new ATOM 1177 N ASN A 80 10.600 6.321 8.099 1.00 0.00 N ATOM 1178 CA ASN A 80 9.675 5.194 8.143 1.00 0.00 C ATOM 1179 C ASN A 80 8.235 5.664 7.956 1.00 0.00 C ATOM 1180 O ASN A 80 7.954 6.863 7.979 1.00 0.00 O ATOM 1181 CB ASN A 80 9.810 4.448 9.472 1.00 0.00 C ATOM 1182 CG ASN A 80 11.191 3.851 9.662 1.00 0.00 C ATOM 1183 OD1 ASN A 80 11.631 3.014 8.874 1.00 0.00 O ATOM 1184 ND2 ASN A 80 11.882 4.280 10.712 1.00 0.00 N ATOM 0 H ASN A 80 10.207 7.203 8.428 1.00 0.00 H new ATOM 0 HA ASN A 80 9.927 4.518 7.326 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.597 5.133 10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.065 3.654 9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.817 3.914 10.891 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.478 4.975 11.339 1.00 0.00 H new ATOM 1191 N VAL A 81 7.327 4.712 7.770 1.00 0.00 N ATOM 1192 CA VAL A 81 5.916 5.027 7.580 1.00 0.00 C ATOM 1193 C VAL A 81 5.026 3.917 8.127 1.00 0.00 C ATOM 1194 O VAL A 81 4.941 2.833 7.548 1.00 0.00 O ATOM 1195 CB VAL A 81 5.586 5.249 6.093 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.109 5.564 5.914 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.450 6.361 5.516 1.00 0.00 C ATOM 0 H VAL A 81 7.543 3.715 7.747 1.00 0.00 H new ATOM 0 HA VAL A 81 5.721 5.948 8.129 1.00 0.00 H new ATOM 0 HB VAL A 81 5.805 4.330 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.895 5.718 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.512 4.732 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.860 6.468 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.204 6.505 4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.265 7.286 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.502 6.090 5.608 1.00 0.00 H new ATOM 1207 N LEU A 82 4.364 4.193 9.245 1.00 0.00 N ATOM 1208 CA LEU A 82 3.478 3.218 9.870 1.00 0.00 C ATOM 1209 C LEU A 82 2.028 3.456 9.461 1.00 0.00 C ATOM 1210 O LEU A 82 1.517 4.571 9.574 1.00 0.00 O ATOM 1211 CB LEU A 82 3.607 3.285 11.393 1.00 0.00 C ATOM 1212 CG LEU A 82 3.104 2.064 12.164 1.00 0.00 C ATOM 1213 CD1 LEU A 82 3.421 0.785 11.406 1.00 0.00 C ATOM 1214 CD2 LEU A 82 3.713 2.025 13.558 1.00 0.00 C ATOM 0 H LEU A 82 4.424 5.084 9.737 1.00 0.00 H new ATOM 0 HA LEU A 82 3.774 2.226 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.657 3.440 11.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.063 4.161 11.745 1.00 0.00 H new ATOM 0 HG LEU A 82 2.021 2.143 12.264 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.055 -0.073 11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.936 0.811 10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.499 0.699 11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.344 1.149 14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.799 1.971 13.479 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.433 2.927 14.103 1.00 0.00 H new ATOM 1226 N ILE A 83 1.371 2.403 8.988 1.00 0.00 N ATOM 1227 CA ILE A 83 -0.021 2.498 8.565 1.00 0.00 C ATOM 1228 C ILE A 83 -0.744 1.169 8.754 1.00 0.00 C ATOM 1229 O ILE A 83 -0.223 0.110 8.404 1.00 0.00 O ATOM 1230 CB ILE A 83 -0.133 2.926 7.090 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.693 1.993 6.201 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.322 4.368 6.920 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.318 2.064 4.738 1.00 0.00 C ATOM 0 H ILE A 83 1.780 1.474 8.888 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.491 3.257 9.191 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.177 2.857 6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.749 2.241 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.569 0.968 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.237 4.655 5.872 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.304 5.021 7.527 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.360 4.462 7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.944 1.377 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.729 1.787 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.469 3.080 4.373 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.951 1.232 9.309 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.748 0.034 9.542 1.00 0.00 C ATOM 1247 C VAL A 84 -3.754 -0.184 8.417 1.00 0.00 C ATOM 1248 O VAL A 84 -4.631 0.648 8.185 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.504 0.115 10.882 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -4.400 -1.101 11.064 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.524 0.243 12.038 1.00 0.00 C ATOM 0 H VAL A 84 -2.397 2.100 9.605 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.055 -0.806 9.574 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.136 1.003 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.926 -1.026 12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.125 -1.144 10.251 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.792 -2.006 11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.074 0.299 12.977 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.866 -0.625 12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.929 1.147 11.912 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.620 -1.308 7.721 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.516 -1.636 6.619 1.00 0.00 C ATOM 1263 C CYS A 85 -4.598 -3.145 6.415 1.00 0.00 C ATOM 1264 O CYS A 85 -3.747 -3.894 6.896 1.00 0.00 O ATOM 1265 CB CYS A 85 -4.044 -0.960 5.331 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.455 -1.569 4.718 1.00 0.00 S ATOM 0 H CYS A 85 -2.899 -2.007 7.901 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.510 -1.267 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.799 -1.106 4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.968 0.114 5.504 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.141 -0.939 3.625 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.628 -3.586 5.700 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.822 -5.006 5.434 1.00 0.00 C ATOM 1274 C VAL A 86 -4.887 -5.491 4.331 1.00 0.00 C ATOM 1275 O VAL A 86 -4.942 -5.032 3.190 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.277 -5.308 5.027 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.425 -6.765 4.616 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -8.229 -4.967 6.164 1.00 0.00 C ATOM 0 H VAL A 86 -6.341 -2.980 5.294 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.594 -5.535 6.359 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.533 -4.686 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.459 -6.960 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.771 -6.972 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.151 -7.409 5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.252 -5.186 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.976 -5.562 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.142 -3.908 6.406 1.00 0.00 H new ATOM 1288 N PRO A 87 -4.007 -6.442 4.677 1.00 0.00 N ATOM 1289 CA PRO A 87 -3.043 -7.011 3.731 1.00 0.00 C ATOM 1290 C PRO A 87 -3.714 -7.880 2.672 1.00 0.00 C ATOM 1291 O PRO A 87 -4.470 -8.795 2.995 1.00 0.00 O ATOM 1292 CB PRO A 87 -2.131 -7.860 4.620 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.971 -8.209 5.800 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.885 -7.035 6.019 1.00 0.00 C ATOM 0 HA PRO A 87 -2.516 -6.238 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.790 -8.754 4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.241 -7.306 4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.542 -9.119 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.353 -8.392 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.853 -7.347 6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.466 -6.327 6.734 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.432 -7.586 1.407 1.00 0.00 N ATOM 1303 CA ASN A 88 -4.008 -8.341 0.300 1.00 0.00 C ATOM 1304 C ASN A 88 -2.922 -8.807 -0.665 1.00 0.00 C ATOM 1305 O ASN A 88 -2.219 -8.005 -1.281 1.00 0.00 O ATOM 1306 CB ASN A 88 -5.037 -7.489 -0.445 1.00 0.00 C ATOM 1307 CG ASN A 88 -6.102 -8.329 -1.124 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -5.896 -9.513 -1.391 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -7.246 -7.719 -1.406 1.00 0.00 N ATOM 0 H ASN A 88 -2.808 -6.831 1.123 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.504 -9.220 0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.512 -6.803 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.528 -6.880 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.999 -8.233 -1.863 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.372 -6.736 -1.166 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.781 -10.134 -0.802 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.612 -11.097 -0.074 1.00 0.00 C ATOM 1318 C PRO A 89 -3.301 -11.119 1.419 1.00 0.00 C ATOM 1319 O PRO A 89 -2.298 -10.571 1.877 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.246 -12.438 -0.716 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.872 -12.237 -1.255 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.800 -10.795 -1.677 1.00 0.00 C ATOM 0 HA PRO A 89 -4.672 -10.852 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.270 -13.247 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.947 -12.702 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.119 -12.460 -0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.683 -12.901 -2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.799 -10.386 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.053 -10.671 -2.730 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.179 -11.769 2.198 1.00 0.00 N ATOM 1331 CA PRO A 90 -4.018 -11.879 3.651 1.00 0.00 C ATOM 1332 C PRO A 90 -2.855 -12.785 4.038 1.00 0.00 C ATOM 1333 O PRO A 90 -2.514 -13.719 3.311 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.345 -12.487 4.110 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.854 -13.227 2.921 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.396 -12.446 1.720 1.00 0.00 C ATOM 0 HA PRO A 90 -3.793 -10.916 4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.202 -13.154 4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.046 -11.715 4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.463 -14.244 2.897 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.941 -13.304 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.186 -13.098 0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.151 -11.731 1.393 1.00 0.00 H new ATOM 1344 N ILE A 91 -2.249 -12.504 5.187 1.00 0.00 N ATOM 1345 CA ILE A 91 -1.124 -13.296 5.671 1.00 0.00 C ATOM 1346 C ILE A 91 -1.602 -14.455 6.538 1.00 0.00 C ATOM 1347 O ILE A 91 -1.092 -15.571 6.436 1.00 0.00 O ATOM 1348 CB ILE A 91 -0.138 -12.435 6.482 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.421 -11.306 5.613 1.00 0.00 C ATOM 1350 CG2 ILE A 91 0.990 -13.297 7.030 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.046 -10.183 6.411 1.00 0.00 C ATOM 0 H ILE A 91 -2.518 -11.734 5.800 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.612 -13.689 4.792 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.672 -11.991 7.322 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.167 -11.717 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.382 -10.900 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.679 -12.675 7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.576 -14.069 7.679 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.524 -13.766 6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.421 -9.418 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.297 -9.746 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.871 -10.575 7.006 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.584 -14.184 7.391 1.00 0.00 N ATOM 1364 CA ASP A 92 -3.133 -15.206 8.275 1.00 0.00 C ATOM 1365 C ASP A 92 -4.548 -15.587 7.852 1.00 0.00 C ATOM 1366 O ASP A 92 -5.161 -14.913 7.024 1.00 0.00 O ATOM 1367 CB ASP A 92 -3.136 -14.711 9.722 1.00 0.00 C ATOM 1368 CG ASP A 92 -1.774 -14.830 10.378 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -1.346 -15.971 10.652 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -1.136 -13.783 10.617 1.00 0.00 O ATOM 0 H ASP A 92 -3.016 -13.265 7.489 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.501 -16.091 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.458 -13.670 9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.864 -15.283 10.297 1.00 0.00 H new ATOM 1375 N GLU A 93 -5.059 -16.672 8.425 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.402 -17.143 8.104 1.00 0.00 C ATOM 1377 C GLU A 93 -7.411 -16.655 9.140 1.00 0.00 C ATOM 1378 O GLU A 93 -8.569 -16.389 8.818 1.00 0.00 O ATOM 1379 CB GLU A 93 -6.426 -18.672 8.033 1.00 0.00 C ATOM 1380 CG GLU A 93 -5.993 -19.348 9.322 1.00 0.00 C ATOM 1381 CD GLU A 93 -5.916 -20.857 9.192 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -5.233 -21.339 8.264 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -6.538 -21.556 10.019 1.00 0.00 O ATOM 0 H GLU A 93 -4.565 -17.241 9.113 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.680 -16.737 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.435 -19.000 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.774 -19.000 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.018 -18.963 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.694 -19.091 10.116 1.00 0.00 H new ATOM 1390 N LYS A 94 -6.963 -16.541 10.386 1.00 0.00 N ATOM 1391 CA LYS A 94 -7.825 -16.085 11.470 1.00 0.00 C ATOM 1392 C LYS A 94 -7.912 -14.563 11.492 1.00 0.00 C ATOM 1393 O LYS A 94 -9.002 -13.994 11.467 1.00 0.00 O ATOM 1394 CB LYS A 94 -7.301 -16.596 12.814 1.00 0.00 C ATOM 1395 CG LYS A 94 -7.873 -17.944 13.217 1.00 0.00 C ATOM 1396 CD LYS A 94 -9.318 -17.824 13.670 1.00 0.00 C ATOM 1397 CE LYS A 94 -9.413 -17.515 15.156 1.00 0.00 C ATOM 1398 NZ LYS A 94 -9.316 -16.054 15.426 1.00 0.00 N ATOM 0 H LYS A 94 -6.008 -16.758 10.670 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.824 -16.486 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.215 -16.671 12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.536 -15.865 13.588 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.811 -18.633 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.273 -18.369 14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.814 -17.038 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.846 -18.753 13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.357 -17.894 15.546 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.616 -18.036 15.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.013 -15.788 16.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.360 -15.826 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.507 -15.526 14.551 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.756 -13.909 11.538 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.702 -12.451 11.562 1.00 0.00 C ATOM 1414 C ASN A 95 -6.800 -11.880 10.151 1.00 0.00 C ATOM 1415 O ASN A 95 -6.538 -10.698 9.929 1.00 0.00 O ATOM 1416 CB ASN A 95 -5.408 -11.979 12.228 1.00 0.00 C ATOM 1417 CG ASN A 95 -5.258 -12.508 13.641 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.641 -11.848 14.607 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -4.698 -13.706 13.768 1.00 0.00 N ATOM 0 H ASN A 95 -5.844 -14.365 11.559 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.552 -12.090 12.140 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.556 -12.302 11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.389 -10.889 12.247 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.571 -14.114 14.694 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.395 -14.218 12.939 1.00 0.00 H new ATOM 1426 N ALA A 96 -7.178 -12.728 9.200 1.00 0.00 N ATOM 1427 CA ALA A 96 -7.313 -12.307 7.811 1.00 0.00 C ATOM 1428 C ALA A 96 -8.127 -11.022 7.703 1.00 0.00 C ATOM 1429 O ALA A 96 -7.620 -9.989 7.264 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.955 -13.412 6.985 1.00 0.00 C ATOM 0 H ALA A 96 -7.396 -13.710 9.366 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.316 -12.108 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.050 -13.084 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.333 -14.306 7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.943 -13.639 7.386 1.00 0.00 H new ATOM 1436 N THR A 97 -9.392 -11.093 8.105 1.00 0.00 N ATOM 1437 CA THR A 97 -10.276 -9.936 8.052 1.00 0.00 C ATOM 1438 C THR A 97 -9.646 -8.729 8.738 1.00 0.00 C ATOM 1439 O THR A 97 -9.673 -7.618 8.209 1.00 0.00 O ATOM 1440 CB THR A 97 -11.635 -10.236 8.713 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.439 -10.640 10.073 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.376 -11.328 7.956 1.00 0.00 C ATOM 0 H THR A 97 -9.827 -11.940 8.471 1.00 0.00 H new ATOM 0 HA THR A 97 -10.435 -9.709 6.998 1.00 0.00 H new ATOM 0 HB THR A 97 -12.236 -9.327 8.687 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.307 -10.827 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.332 -11.522 8.441 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.549 -11.006 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.778 -12.239 7.954 1.00 0.00 H new ATOM 1450 N MET A 98 -9.077 -8.955 9.917 1.00 0.00 N ATOM 1451 CA MET A 98 -8.437 -7.886 10.674 1.00 0.00 C ATOM 1452 C MET A 98 -7.159 -7.420 9.984 1.00 0.00 C ATOM 1453 O MET A 98 -6.373 -8.220 9.477 1.00 0.00 O ATOM 1454 CB MET A 98 -8.121 -8.356 12.095 1.00 0.00 C ATOM 1455 CG MET A 98 -8.117 -7.234 13.121 1.00 0.00 C ATOM 1456 SD MET A 98 -7.956 -7.839 14.812 1.00 0.00 S ATOM 1457 CE MET A 98 -9.631 -8.385 15.137 1.00 0.00 C ATOM 0 H MET A 98 -9.046 -9.869 10.369 1.00 0.00 H new ATOM 0 HA MET A 98 -9.129 -7.046 10.723 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.854 -9.106 12.392 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.146 -8.844 12.099 1.00 0.00 H new ATOM 0 HG2 MET A 98 -7.295 -6.551 12.904 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.040 -6.661 13.031 1.00 0.00 H new ATOM 0 HE1 MET A 98 -9.928 -8.071 16.138 1.00 0.00 H new ATOM 0 HE2 MET A 98 -10.306 -7.945 14.403 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.679 -9.472 15.068 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.946 -6.096 9.962 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.764 -5.495 9.337 1.00 0.00 C ATOM 1469 C PRO A 99 -4.485 -5.787 10.113 1.00 0.00 C ATOM 1470 O PRO A 99 -4.531 -6.177 11.280 1.00 0.00 O ATOM 1471 CB PRO A 99 -6.074 -3.996 9.361 1.00 0.00 C ATOM 1472 CG PRO A 99 -7.023 -3.823 10.496 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.842 -5.084 10.547 1.00 0.00 C ATOM 0 HA PRO A 99 -5.586 -5.892 8.338 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -5.169 -3.407 9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.518 -3.668 8.421 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.487 -3.667 11.432 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.659 -2.951 10.344 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.124 -5.339 11.569 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.766 -4.987 9.976 1.00 0.00 H new ATOM 1481 N VAL A 100 -3.344 -5.595 9.459 1.00 0.00 N ATOM 1482 CA VAL A 100 -2.052 -5.837 10.089 1.00 0.00 C ATOM 1483 C VAL A 100 -1.156 -4.607 9.995 1.00 0.00 C ATOM 1484 O VAL A 100 -1.376 -3.727 9.162 1.00 0.00 O ATOM 1485 CB VAL A 100 -1.329 -7.036 9.446 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -2.259 -8.236 9.358 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.797 -6.661 8.071 1.00 0.00 C ATOM 0 H VAL A 100 -3.288 -5.273 8.493 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.248 -6.061 11.138 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.483 -7.309 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.731 -9.073 8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.587 -8.517 10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.127 -7.980 8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.289 -7.519 7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.626 -6.362 7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.094 -5.833 8.166 1.00 0.00 H new ATOM 1497 N THR A 101 -0.143 -4.552 10.855 1.00 0.00 N ATOM 1498 CA THR A 101 0.787 -3.430 10.869 1.00 0.00 C ATOM 1499 C THR A 101 1.768 -3.514 9.706 1.00 0.00 C ATOM 1500 O THR A 101 2.364 -4.562 9.459 1.00 0.00 O ATOM 1501 CB THR A 101 1.577 -3.372 12.190 1.00 0.00 C ATOM 1502 OG1 THR A 101 0.679 -3.189 13.291 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.593 -2.241 12.164 1.00 0.00 C ATOM 0 H THR A 101 0.054 -5.272 11.551 1.00 0.00 H new ATOM 0 HA THR A 101 0.190 -2.523 10.771 1.00 0.00 H new ATOM 0 HB THR A 101 2.110 -4.315 12.310 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.189 -3.155 14.127 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.138 -2.220 13.107 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.293 -2.399 11.344 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.077 -1.291 12.022 1.00 0.00 H new ATOM 1511 N MET A 102 1.933 -2.403 8.996 1.00 0.00 N ATOM 1512 CA MET A 102 2.845 -2.352 7.859 1.00 0.00 C ATOM 1513 C MET A 102 3.839 -1.205 8.011 1.00 0.00 C ATOM 1514 O MET A 102 3.448 -0.048 8.171 1.00 0.00 O ATOM 1515 CB MET A 102 2.061 -2.193 6.555 1.00 0.00 C ATOM 1516 CG MET A 102 1.048 -3.301 6.317 1.00 0.00 C ATOM 1517 SD MET A 102 0.714 -3.572 4.565 1.00 0.00 S ATOM 1518 CE MET A 102 1.756 -4.991 4.238 1.00 0.00 C ATOM 0 H MET A 102 1.448 -1.527 9.188 1.00 0.00 H new ATOM 0 HA MET A 102 3.400 -3.290 7.828 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.543 -1.234 6.567 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.761 -2.167 5.720 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.416 -4.226 6.760 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.117 -3.052 6.826 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.189 -4.903 3.241 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.555 -5.034 4.978 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.159 -5.901 4.295 1.00 0.00 H new ATOM 1528 N LEU A 103 5.126 -1.532 7.960 1.00 0.00 N ATOM 1529 CA LEU A 103 6.177 -0.529 8.092 1.00 0.00 C ATOM 1530 C LEU A 103 6.954 -0.380 6.789 1.00 0.00 C ATOM 1531 O LEU A 103 7.581 -1.329 6.316 1.00 0.00 O ATOM 1532 CB LEU A 103 7.130 -0.907 9.228 1.00 0.00 C ATOM 1533 CG LEU A 103 8.015 0.219 9.764 1.00 0.00 C ATOM 1534 CD1 LEU A 103 9.206 0.445 8.845 1.00 0.00 C ATOM 1535 CD2 LEU A 103 7.210 1.501 9.921 1.00 0.00 C ATOM 0 H LEU A 103 5.467 -2.484 7.828 1.00 0.00 H new ATOM 0 HA LEU A 103 5.707 0.427 8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.539 -1.303 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.774 -1.715 8.881 1.00 0.00 H new ATOM 0 HG LEU A 103 8.389 -0.074 10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.825 1.250 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.796 -0.469 8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.852 0.717 7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.856 2.292 10.303 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.807 1.798 8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.390 1.333 10.619 1.00 0.00 H new ATOM 1547 N ILE A 104 6.911 0.817 6.214 1.00 0.00 N ATOM 1548 CA ILE A 104 7.615 1.091 4.967 1.00 0.00 C ATOM 1549 C ILE A 104 8.912 1.850 5.223 1.00 0.00 C ATOM 1550 O ILE A 104 8.921 2.871 5.911 1.00 0.00 O ATOM 1551 CB ILE A 104 6.740 1.905 3.994 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.405 1.196 3.760 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.471 2.118 2.677 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.278 2.136 3.393 1.00 0.00 C ATOM 0 H ILE A 104 6.396 1.613 6.592 1.00 0.00 H new ATOM 0 HA ILE A 104 7.845 0.126 4.516 1.00 0.00 H new ATOM 0 HB ILE A 104 6.539 2.880 4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.528 0.461 2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.131 0.648 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.841 2.694 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.399 2.661 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.698 1.152 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.362 1.565 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.128 2.856 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.531 2.666 2.475 1.00 0.00 H new ATOM 1566 N ARG A 105 10.007 1.345 4.664 1.00 0.00 N ATOM 1567 CA ARG A 105 11.311 1.976 4.831 1.00 0.00 C ATOM 1568 C ARG A 105 11.742 2.681 3.548 1.00 0.00 C ATOM 1569 O ARG A 105 11.828 2.064 2.486 1.00 0.00 O ATOM 1570 CB ARG A 105 12.358 0.934 5.230 1.00 0.00 C ATOM 1571 CG ARG A 105 13.749 1.513 5.426 1.00 0.00 C ATOM 1572 CD ARG A 105 13.903 2.138 6.804 1.00 0.00 C ATOM 1573 NE ARG A 105 15.279 2.553 7.066 1.00 0.00 N ATOM 1574 CZ ARG A 105 16.223 1.728 7.505 1.00 0.00 C ATOM 1575 NH1 ARG A 105 15.943 0.452 7.729 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.452 2.180 7.720 1.00 0.00 N ATOM 0 H ARG A 105 10.017 0.501 4.092 1.00 0.00 H new ATOM 0 HA ARG A 105 11.228 2.720 5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.042 0.449 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.400 0.161 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 105 14.493 0.727 5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.943 2.265 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.242 3.001 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.589 1.422 7.564 1.00 0.00 H new ATOM 0 HE ARG A 105 15.528 3.529 6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.000 0.100 7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.671 -0.178 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.672 3.161 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.177 1.546 8.057 1.00 0.00 H new ATOM 1590 N VAL A 106 12.012 3.978 3.654 1.00 0.00 N ATOM 1591 CA VAL A 106 12.435 4.768 2.503 1.00 0.00 C ATOM 1592 C VAL A 106 13.897 5.181 2.628 1.00 0.00 C ATOM 1593 O VAL A 106 14.560 4.869 3.617 1.00 0.00 O ATOM 1594 CB VAL A 106 11.568 6.030 2.340 1.00 0.00 C ATOM 1595 CG1 VAL A 106 10.130 5.653 2.018 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.635 6.888 3.595 1.00 0.00 C ATOM 0 H VAL A 106 11.945 4.504 4.525 1.00 0.00 H new ATOM 0 HA VAL A 106 12.313 4.137 1.623 1.00 0.00 H new ATOM 0 HB VAL A 106 11.960 6.614 1.507 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.533 6.558 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.102 5.083 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.723 5.047 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.017 7.776 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.270 6.315 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.667 7.189 3.776 1.00 0.00 H new ATOM 1606 N LYS A 107 14.395 5.886 1.618 1.00 0.00 N ATOM 1607 CA LYS A 107 15.779 6.345 1.613 1.00 0.00 C ATOM 1608 C LYS A 107 15.947 7.574 2.500 1.00 0.00 C ATOM 1609 O LYS A 107 16.586 7.511 3.551 1.00 0.00 O ATOM 1610 CB LYS A 107 16.226 6.668 0.185 1.00 0.00 C ATOM 1611 CG LYS A 107 17.710 6.448 -0.052 1.00 0.00 C ATOM 1612 CD LYS A 107 18.182 7.146 -1.317 1.00 0.00 C ATOM 1613 CE LYS A 107 19.662 6.903 -1.569 1.00 0.00 C ATOM 1614 NZ LYS A 107 19.932 5.492 -1.963 1.00 0.00 N ATOM 0 H LYS A 107 13.860 6.152 0.791 1.00 0.00 H new ATOM 0 HA LYS A 107 16.403 5.544 2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.660 6.051 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.981 7.707 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.275 6.820 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.913 5.380 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.603 6.788 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.997 8.217 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.012 7.573 -2.355 1.00 0.00 H new ATOM 0 HE3 LYS A 107 20.228 7.144 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.925 5.398 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.749 4.865 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.311 5.227 -2.754 1.00 0.00 H new ATOM 1628 N THR A 108 15.369 8.692 2.072 1.00 0.00 N ATOM 1629 CA THR A 108 15.456 9.935 2.827 1.00 0.00 C ATOM 1630 C THR A 108 14.176 10.189 3.616 1.00 0.00 C ATOM 1631 O THR A 108 13.106 9.700 3.255 1.00 0.00 O ATOM 1632 CB THR A 108 15.722 11.137 1.902 1.00 0.00 C ATOM 1633 OG1 THR A 108 15.434 12.359 2.591 1.00 0.00 O ATOM 1634 CG2 THR A 108 14.875 11.048 0.642 1.00 0.00 C ATOM 0 H THR A 108 14.835 8.762 1.206 1.00 0.00 H new ATOM 0 HA THR A 108 16.291 9.827 3.519 1.00 0.00 H new ATOM 0 HB THR A 108 16.774 11.121 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.607 13.118 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 108 15.080 11.908 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 108 15.118 10.131 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.819 11.041 0.913 1.00 0.00 H new ATOM 1642 N SER A 109 14.293 10.957 4.694 1.00 0.00 N ATOM 1643 CA SER A 109 13.145 11.273 5.536 1.00 0.00 C ATOM 1644 C SER A 109 12.105 12.073 4.758 1.00 0.00 C ATOM 1645 O SER A 109 10.920 11.743 4.768 1.00 0.00 O ATOM 1646 CB SER A 109 13.592 12.060 6.770 1.00 0.00 C ATOM 1647 OG SER A 109 12.504 12.295 7.646 1.00 0.00 O ATOM 0 H SER A 109 15.171 11.372 5.005 1.00 0.00 H new ATOM 0 HA SER A 109 12.691 10.335 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.372 11.508 7.294 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.026 13.011 6.461 1.00 0.00 H new ATOM 0 HG SER A 109 12.471 11.588 8.324 1.00 0.00 H new ATOM 1653 N GLU A 110 12.559 13.126 4.085 1.00 0.00 N ATOM 1654 CA GLU A 110 11.668 13.973 3.302 1.00 0.00 C ATOM 1655 C GLU A 110 10.654 13.132 2.531 1.00 0.00 C ATOM 1656 O GLU A 110 9.576 13.609 2.177 1.00 0.00 O ATOM 1657 CB GLU A 110 12.473 14.838 2.330 1.00 0.00 C ATOM 1658 CG GLU A 110 13.143 14.044 1.220 1.00 0.00 C ATOM 1659 CD GLU A 110 12.274 13.923 -0.016 1.00 0.00 C ATOM 1660 OE1 GLU A 110 12.085 14.943 -0.712 1.00 0.00 O ATOM 1661 OE2 GLU A 110 11.783 12.808 -0.289 1.00 0.00 O ATOM 0 H GLU A 110 13.538 13.412 4.067 1.00 0.00 H new ATOM 0 HA GLU A 110 11.127 14.621 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 110 11.812 15.581 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.236 15.382 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.084 14.524 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 110 13.387 13.047 1.587 1.00 0.00 H new ATOM 1668 N ASP A 111 11.009 11.878 2.275 1.00 0.00 N ATOM 1669 CA ASP A 111 10.132 10.968 1.547 1.00 0.00 C ATOM 1670 C ASP A 111 8.997 10.476 2.440 1.00 0.00 C ATOM 1671 O ASP A 111 7.828 10.527 2.060 1.00 0.00 O ATOM 1672 CB ASP A 111 10.928 9.778 1.009 1.00 0.00 C ATOM 1673 CG ASP A 111 10.169 9.005 -0.052 1.00 0.00 C ATOM 1674 OD1 ASP A 111 9.308 9.610 -0.723 1.00 0.00 O ATOM 1675 OD2 ASP A 111 10.436 7.795 -0.210 1.00 0.00 O ATOM 0 H ASP A 111 11.898 11.468 2.561 1.00 0.00 H new ATOM 0 HA ASP A 111 9.700 11.514 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.870 10.134 0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 111 11.177 9.109 1.833 1.00 0.00 H new ATOM 1680 N ALA A 112 9.352 9.998 3.628 1.00 0.00 N ATOM 1681 CA ALA A 112 8.364 9.497 4.576 1.00 0.00 C ATOM 1682 C ALA A 112 7.283 10.538 4.843 1.00 0.00 C ATOM 1683 O ALA A 112 6.111 10.201 5.013 1.00 0.00 O ATOM 1684 CB ALA A 112 9.040 9.090 5.877 1.00 0.00 C ATOM 0 H ALA A 112 10.316 9.947 3.957 1.00 0.00 H new ATOM 0 HA ALA A 112 7.887 8.620 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.291 8.718 6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.771 8.306 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.543 9.954 6.311 1.00 0.00 H new ATOM 1690 N ASP A 113 7.683 11.805 4.879 1.00 0.00 N ATOM 1691 CA ASP A 113 6.747 12.896 5.125 1.00 0.00 C ATOM 1692 C ASP A 113 5.725 13.000 3.997 1.00 0.00 C ATOM 1693 O ASP A 113 4.518 12.978 4.237 1.00 0.00 O ATOM 1694 CB ASP A 113 7.500 14.219 5.272 1.00 0.00 C ATOM 1695 CG ASP A 113 6.569 15.393 5.498 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.052 15.531 6.626 1.00 0.00 O ATOM 1697 OD2 ASP A 113 6.356 16.174 4.546 1.00 0.00 O ATOM 0 H ASP A 113 8.649 12.101 4.741 1.00 0.00 H new ATOM 0 HA ASP A 113 6.216 12.684 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.197 14.146 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.094 14.397 4.375 1.00 0.00 H new ATOM 1702 N GLU A 114 6.218 13.114 2.768 1.00 0.00 N ATOM 1703 CA GLU A 114 5.346 13.224 1.604 1.00 0.00 C ATOM 1704 C GLU A 114 4.308 12.106 1.594 1.00 0.00 C ATOM 1705 O GLU A 114 3.109 12.355 1.732 1.00 0.00 O ATOM 1706 CB GLU A 114 6.171 13.180 0.316 1.00 0.00 C ATOM 1707 CG GLU A 114 5.407 13.643 -0.913 1.00 0.00 C ATOM 1708 CD GLU A 114 6.281 13.722 -2.149 1.00 0.00 C ATOM 1709 OE1 GLU A 114 7.393 14.285 -2.054 1.00 0.00 O ATOM 1710 OE2 GLU A 114 5.855 13.222 -3.211 1.00 0.00 O ATOM 0 H GLU A 114 7.215 13.133 2.552 1.00 0.00 H new ATOM 0 HA GLU A 114 4.825 14.180 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.056 13.804 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.521 12.161 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.580 12.958 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.972 14.623 -0.717 1.00 0.00 H new ATOM 1717 N LEU A 115 4.776 10.874 1.429 1.00 0.00 N ATOM 1718 CA LEU A 115 3.888 9.716 1.401 1.00 0.00 C ATOM 1719 C LEU A 115 2.894 9.763 2.557 1.00 0.00 C ATOM 1720 O LEU A 115 1.683 9.837 2.346 1.00 0.00 O ATOM 1721 CB LEU A 115 4.703 8.423 1.466 1.00 0.00 C ATOM 1722 CG LEU A 115 3.897 7.125 1.529 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.090 6.936 0.254 1.00 0.00 C ATOM 1724 CD2 LEU A 115 4.818 5.936 1.760 1.00 0.00 C ATOM 0 H LEU A 115 5.764 10.651 1.313 1.00 0.00 H new ATOM 0 HA LEU A 115 3.329 9.740 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.353 8.382 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.350 8.468 2.342 1.00 0.00 H new ATOM 0 HG LEU A 115 3.204 7.191 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.523 6.007 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.403 7.773 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.765 6.892 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.227 5.021 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.536 5.867 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.352 6.067 2.701 1.00 0.00 H new ATOM 1736 N HIS A 116 3.414 9.723 3.780 1.00 0.00 N ATOM 1737 CA HIS A 116 2.572 9.764 4.970 1.00 0.00 C ATOM 1738 C HIS A 116 1.529 10.871 4.859 1.00 0.00 C ATOM 1739 O HIS A 116 0.349 10.657 5.138 1.00 0.00 O ATOM 1740 CB HIS A 116 3.428 9.977 6.219 1.00 0.00 C ATOM 1741 CG HIS A 116 2.655 10.491 7.395 1.00 0.00 C ATOM 1742 ND1 HIS A 116 2.310 11.817 7.547 1.00 0.00 N ATOM 1743 CD2 HIS A 116 2.159 9.847 8.477 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.636 11.968 8.673 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.530 10.787 9.256 1.00 0.00 N ATOM 0 H HIS A 116 4.414 9.662 3.973 1.00 0.00 H new ATOM 0 HA HIS A 116 2.054 8.808 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.901 9.033 6.490 1.00 0.00 H new ATOM 0 HB3 HIS A 116 4.228 10.679 5.986 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.539 12.565 6.892 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.242 8.791 8.688 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.239 12.898 9.052 1.00 0.00 H new ATOM 1753 N LYS A 117 1.971 12.056 4.451 1.00 0.00 N ATOM 1754 CA LYS A 117 1.076 13.198 4.303 1.00 0.00 C ATOM 1755 C LYS A 117 -0.012 12.906 3.275 1.00 0.00 C ATOM 1756 O LYS A 117 -1.173 13.271 3.466 1.00 0.00 O ATOM 1757 CB LYS A 117 1.866 14.440 3.886 1.00 0.00 C ATOM 1758 CG LYS A 117 1.215 15.745 4.308 1.00 0.00 C ATOM 1759 CD LYS A 117 1.756 16.922 3.513 1.00 0.00 C ATOM 1760 CE LYS A 117 1.726 18.206 4.327 1.00 0.00 C ATOM 1761 NZ LYS A 117 2.298 19.355 3.572 1.00 0.00 N ATOM 0 H LYS A 117 2.944 12.251 4.217 1.00 0.00 H new ATOM 0 HA LYS A 117 0.601 13.383 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.866 14.386 4.317 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.986 14.437 2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.136 15.676 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.389 15.912 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.779 16.712 3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.166 17.051 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.698 18.433 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.287 18.063 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.259 20.211 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.287 19.150 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.748 19.508 2.703 1.00 0.00 H new ATOM 1775 N ILE A 118 0.369 12.246 2.187 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.575 11.904 1.131 1.00 0.00 C ATOM 1777 C ILE A 118 -1.621 10.912 1.629 1.00 0.00 C ATOM 1778 O ILE A 118 -2.823 11.122 1.459 1.00 0.00 O ATOM 1779 CB ILE A 118 0.142 11.304 -0.093 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.048 12.351 -0.744 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.874 10.778 -1.097 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.006 11.773 -1.762 1.00 0.00 C ATOM 0 H ILE A 118 1.326 11.937 2.014 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.067 12.831 0.836 1.00 0.00 H new ATOM 0 HB ILE A 118 0.761 10.471 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.428 13.105 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.619 12.859 0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.352 10.357 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.483 10.005 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.516 11.595 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.616 12.572 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.651 11.039 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.442 11.290 -2.560 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.156 9.831 2.247 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.051 8.807 2.773 1.00 0.00 C ATOM 1796 C LEU A 119 -2.902 9.359 3.912 1.00 0.00 C ATOM 1797 O LEU A 119 -4.074 9.007 4.053 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.247 7.600 3.261 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.399 6.888 2.206 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.762 6.156 2.861 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.254 5.922 1.399 1.00 0.00 C ATOM 0 H LEU A 119 -0.165 9.642 2.396 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.715 8.492 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.589 7.928 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.940 6.876 3.690 1.00 0.00 H new ATOM 0 HG LEU A 119 0.007 7.637 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.355 5.655 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.388 6.871 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.376 5.417 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.635 5.424 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.689 5.177 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.052 6.472 0.900 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.306 10.227 4.721 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.010 10.831 5.848 1.00 0.00 C ATOM 1815 C LEU A 120 -4.063 11.822 5.363 1.00 0.00 C ATOM 1816 O LEU A 120 -5.217 11.772 5.787 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.018 11.536 6.775 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.551 12.759 7.523 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.767 12.386 8.357 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -1.465 13.362 8.401 1.00 0.00 C ATOM 0 H LEU A 120 -1.337 10.529 4.618 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.512 10.036 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.661 10.814 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.155 11.844 6.184 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.854 13.506 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.133 13.268 8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.551 12.001 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.490 11.621 9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.862 14.231 8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.131 12.621 9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.623 13.667 7.780 1.00 0.00 H new ATOM 1832 N GLU A 121 -3.657 12.721 4.472 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.568 13.723 3.929 1.00 0.00 C ATOM 1834 C GLU A 121 -5.628 13.073 3.045 1.00 0.00 C ATOM 1835 O GLU A 121 -6.824 13.311 3.212 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.791 14.769 3.127 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.282 15.927 3.969 1.00 0.00 C ATOM 1838 CD GLU A 121 -4.383 16.897 4.353 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -5.536 16.449 4.524 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -4.090 18.104 4.483 1.00 0.00 O ATOM 0 H GLU A 121 -2.705 12.776 4.111 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.068 14.213 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.944 14.286 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.433 15.160 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.815 15.536 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.509 16.461 3.416 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.180 12.250 2.103 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.087 11.563 1.191 1.00 0.00 C ATOM 1849 C LYS A 122 -7.232 10.906 1.956 1.00 0.00 C ATOM 1850 O LYS A 122 -8.398 11.039 1.585 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.329 10.510 0.381 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.524 11.090 -0.769 1.00 0.00 C ATOM 1853 CD LYS A 122 -5.427 11.683 -1.838 1.00 0.00 C ATOM 1854 CE LYS A 122 -4.626 12.181 -3.031 1.00 0.00 C ATOM 1855 NZ LYS A 122 -5.466 12.298 -4.254 1.00 0.00 N ATOM 0 H LYS A 122 -4.193 12.042 1.951 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.506 12.303 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.657 9.967 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.041 9.786 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.851 11.860 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.902 10.310 -1.208 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.144 10.931 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.001 12.507 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.190 13.152 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.798 11.498 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.883 12.640 -5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.862 11.367 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.241 12.969 -4.080 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.891 10.196 3.026 1.00 0.00 N ATOM 1870 CA LYS A 123 -7.889 9.519 3.845 1.00 0.00 C ATOM 1871 C LYS A 123 -8.770 10.529 4.574 1.00 0.00 C ATOM 1872 O LYS A 123 -9.939 10.260 4.853 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.208 8.596 4.858 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.537 9.338 6.001 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.472 8.485 7.258 1.00 0.00 C ATOM 1876 CE LYS A 123 -6.526 9.340 8.515 1.00 0.00 C ATOM 1877 NZ LYS A 123 -7.924 9.550 8.984 1.00 0.00 N ATOM 0 H LYS A 123 -5.930 10.075 3.346 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.519 8.922 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.949 7.909 5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.463 7.990 4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.529 9.629 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.085 10.256 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -7.301 7.777 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.553 7.899 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.946 8.862 9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -6.060 10.306 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -7.918 10.137 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.471 10.029 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.361 8.630 9.197 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.203 11.691 4.878 1.00 0.00 N ATOM 1892 CA ASP A 124 -8.938 12.742 5.573 1.00 0.00 C ATOM 1893 C ASP A 124 -10.107 13.237 4.727 1.00 0.00 C ATOM 1894 O ASP A 124 -11.256 13.216 5.166 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.006 13.907 5.910 1.00 0.00 C ATOM 1896 CG ASP A 124 -8.624 14.875 6.900 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -9.837 15.148 6.784 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -7.895 15.359 7.791 1.00 0.00 O ATOM 0 H ASP A 124 -7.237 11.929 4.654 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.334 12.324 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.075 13.517 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -7.751 14.441 4.995 1.00 0.00 H new ATOM 1903 N ALA A 125 -9.804 13.683 3.512 1.00 0.00 N ATOM 1904 CA ALA A 125 -10.830 14.183 2.605 1.00 0.00 C ATOM 1905 C ALA A 125 -11.637 13.037 2.003 1.00 0.00 C ATOM 1906 O ALA A 125 -11.147 12.305 1.142 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.197 15.020 1.503 1.00 0.00 C ATOM 0 H ALA A 125 -8.857 13.708 3.133 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.512 14.811 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -10.974 15.387 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.670 15.866 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.492 14.408 0.940 1.00 0.00 H new