USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.235 K(o=-0.24,f=-3.4!) USER MOD Single : A 17 CYS SG : rot -89:sc=0.000311 USER MOD Single : A 18 LYS NZ :NH3+ -125:sc= 0.0509 (180deg=-0.33) USER MOD Single : A 20 SER OG : rot 30:sc= 0.0647 USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 0.101 (180deg=0.0756) USER MOD Single : A 22 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 25 GLN : amide:sc=-0.00975 X(o=-0.0098,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.686 K(o=0.69,f=-3.5!) USER MOD Single : A 27 TYR OH : rot 50:sc= -3.08! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 140:sc= -1.24 USER MOD Single : A 40 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-4!) USER MOD Single : A 49 SER OG : rot -108:sc= 0.0578 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -4.06! K(o=-4.1!,f=-0.0042) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.28) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= -0.137 (180deg=-1.28!) USER MOD Single : A 85 SER OG : rot -72:sc= 0.802 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 41:sc= 0.135 USER MOD Single : A 99 TYR OH : rot 37:sc= 0.945 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.559 -11.966 8.535 1.00 0.00 N ATOM 105 CA THR A 11 -10.210 -10.686 7.933 1.00 0.00 C ATOM 106 C THR A 11 -9.351 -9.851 8.875 1.00 0.00 C ATOM 107 O THR A 11 -9.581 -9.828 10.085 1.00 0.00 O ATOM 108 CB THR A 11 -11.469 -9.881 7.556 1.00 0.00 C ATOM 109 OG1 THR A 11 -11.094 -8.610 7.013 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.363 -9.676 8.769 1.00 0.00 C ATOM 0 HA THR A 11 -9.643 -10.906 7.028 1.00 0.00 H new ATOM 0 HB THR A 11 -12.024 -10.446 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.900 -8.106 6.774 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.245 -9.105 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.671 -10.645 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.815 -9.130 9.537 1.00 0.00 H new ATOM 118 N PHE A 12 -8.360 -9.165 8.314 1.00 0.00 N ATOM 119 CA PHE A 12 -7.466 -8.328 9.105 1.00 0.00 C ATOM 120 C PHE A 12 -7.893 -6.865 9.043 1.00 0.00 C ATOM 121 O PHE A 12 -8.644 -6.464 8.155 1.00 0.00 O ATOM 122 CB PHE A 12 -6.026 -8.472 8.608 1.00 0.00 C ATOM 123 CG PHE A 12 -5.530 -9.890 8.607 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.994 -10.799 7.671 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.600 -10.313 9.543 1.00 0.00 C ATOM 126 CE1 PHE A 12 -5.541 -12.105 7.669 1.00 0.00 C ATOM 127 CE2 PHE A 12 -4.142 -11.617 9.546 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.612 -12.514 8.606 1.00 0.00 C ATOM 0 H PHE A 12 -8.156 -9.173 7.315 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.521 -8.660 10.142 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.958 -8.071 7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.371 -7.867 9.236 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.718 -10.484 6.934 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.229 -9.615 10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.913 -12.805 6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.418 -11.934 10.282 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.254 -13.533 8.604 1.00 0.00 H new ATOM 138 N ASN A 13 -7.411 -6.073 9.995 1.00 0.00 N ATOM 139 CA ASN A 13 -7.743 -4.654 10.051 1.00 0.00 C ATOM 140 C ASN A 13 -6.552 -3.799 9.629 1.00 0.00 C ATOM 141 O ASN A 13 -5.702 -3.431 10.441 1.00 0.00 O ATOM 142 CB ASN A 13 -8.189 -4.268 11.463 1.00 0.00 C ATOM 143 CG ASN A 13 -7.146 -4.606 12.510 1.00 0.00 C ATOM 144 OD1 ASN A 13 -6.790 -5.770 12.695 1.00 0.00 O ATOM 145 ND2 ASN A 13 -6.651 -3.587 13.203 1.00 0.00 N ATOM 0 H ASN A 13 -6.789 -6.390 10.739 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.563 -4.471 9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.399 -3.199 11.495 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.119 -4.783 11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.947 -3.753 13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.975 -2.638 13.016 1.00 0.00 H new ATOM 152 N PRO A 14 -6.487 -3.474 8.330 1.00 0.00 N ATOM 153 CA PRO A 14 -5.405 -2.658 7.771 1.00 0.00 C ATOM 154 C PRO A 14 -5.478 -1.206 8.231 1.00 0.00 C ATOM 155 O PRO A 14 -6.313 -0.849 9.062 1.00 0.00 O ATOM 156 CB PRO A 14 -5.634 -2.752 6.260 1.00 0.00 C ATOM 157 CG PRO A 14 -7.088 -3.041 6.115 1.00 0.00 C ATOM 158 CD PRO A 14 -7.465 -3.878 7.306 1.00 0.00 C ATOM 0 HA PRO A 14 -4.423 -3.009 8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.363 -1.822 5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.027 -3.541 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.668 -2.119 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.289 -3.573 5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.488 -3.682 7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.399 -4.943 7.086 1.00 0.00 H new ATOM 166 N ARG A 15 -4.598 -0.372 7.686 1.00 0.00 N ATOM 167 CA ARG A 15 -4.562 1.041 8.041 1.00 0.00 C ATOM 168 C ARG A 15 -4.676 1.918 6.798 1.00 0.00 C ATOM 169 O ARG A 15 -3.904 1.770 5.851 1.00 0.00 O ATOM 170 CB ARG A 15 -3.270 1.367 8.792 1.00 0.00 C ATOM 171 CG ARG A 15 -3.046 2.856 9.001 1.00 0.00 C ATOM 172 CD ARG A 15 -3.720 3.348 10.272 1.00 0.00 C ATOM 173 NE ARG A 15 -3.401 4.745 10.556 1.00 0.00 N ATOM 174 CZ ARG A 15 -3.882 5.412 11.599 1.00 0.00 C ATOM 175 NH1 ARG A 15 -4.701 4.812 12.452 1.00 0.00 N ATOM 176 NH2 ARG A 15 -3.545 6.681 11.789 1.00 0.00 N ATOM 0 H ARG A 15 -3.900 -0.651 6.996 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.413 1.248 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.289 0.871 9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.425 0.955 8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.977 3.060 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.435 3.407 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.800 3.235 10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.408 2.727 11.112 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.774 5.235 9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.963 3.837 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.069 5.326 13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.916 7.145 11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.915 7.192 12.590 1.00 0.00 H new ATOM 190 N GLU A 16 -5.644 2.829 6.808 1.00 0.00 N ATOM 191 CA GLU A 16 -5.858 3.728 5.680 1.00 0.00 C ATOM 192 C GLU A 16 -5.060 5.017 5.852 1.00 0.00 C ATOM 193 O GLU A 16 -5.233 5.740 6.834 1.00 0.00 O ATOM 194 CB GLU A 16 -7.346 4.052 5.534 1.00 0.00 C ATOM 195 CG GLU A 16 -7.680 4.816 4.263 1.00 0.00 C ATOM 196 CD GLU A 16 -9.115 4.609 3.819 1.00 0.00 C ATOM 197 OE1 GLU A 16 -10.025 5.147 4.484 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.328 3.909 2.806 1.00 0.00 O ATOM 0 H GLU A 16 -6.292 2.964 7.584 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.512 3.225 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.915 3.122 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.668 4.637 6.395 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.504 5.879 4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.007 4.499 3.466 1.00 0.00 H new ATOM 205 N CYS A 17 -4.186 5.297 4.892 1.00 0.00 N ATOM 206 CA CYS A 17 -3.359 6.498 4.937 1.00 0.00 C ATOM 207 C CYS A 17 -3.830 7.521 3.908 1.00 0.00 C ATOM 208 O CYS A 17 -3.973 7.208 2.726 1.00 0.00 O ATOM 209 CB CYS A 17 -1.893 6.143 4.687 1.00 0.00 C ATOM 210 SG CYS A 17 -1.204 4.970 5.878 1.00 0.00 S ATOM 0 H CYS A 17 -4.031 4.709 4.073 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.454 6.938 5.930 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.797 5.725 3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.300 7.057 4.709 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.715 5.619 6.893 1.00 0.00 H new ATOM 216 N LYS A 18 -4.071 8.745 4.366 1.00 0.00 N ATOM 217 CA LYS A 18 -4.526 9.815 3.487 1.00 0.00 C ATOM 218 C LYS A 18 -3.416 10.834 3.250 1.00 0.00 C ATOM 219 O LYS A 18 -3.205 11.737 4.060 1.00 0.00 O ATOM 220 CB LYS A 18 -5.751 10.510 4.087 1.00 0.00 C ATOM 221 CG LYS A 18 -7.041 9.729 3.907 1.00 0.00 C ATOM 222 CD LYS A 18 -8.127 10.222 4.850 1.00 0.00 C ATOM 223 CE LYS A 18 -9.417 9.436 4.673 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.289 8.039 5.172 1.00 0.00 N ATOM 0 H LYS A 18 -3.959 9.020 5.342 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.799 9.372 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.581 10.674 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.863 11.492 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.383 9.822 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.855 8.670 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.784 10.133 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.316 11.280 4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.224 9.939 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.691 9.421 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.548 7.375 4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.307 7.864 5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.923 7.901 5.985 1.00 0.00 H new ATOM 238 N LEU A 19 -2.710 10.684 2.135 1.00 0.00 N ATOM 239 CA LEU A 19 -1.622 11.593 1.790 1.00 0.00 C ATOM 240 C LEU A 19 -2.146 12.807 1.031 1.00 0.00 C ATOM 241 O LEU A 19 -3.113 12.710 0.275 1.00 0.00 O ATOM 242 CB LEU A 19 -0.571 10.866 0.949 1.00 0.00 C ATOM 243 CG LEU A 19 0.464 10.051 1.725 1.00 0.00 C ATOM 244 CD1 LEU A 19 -0.106 8.696 2.113 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.734 9.882 0.904 1.00 0.00 C ATOM 0 H LEU A 19 -2.871 9.942 1.454 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.163 11.938 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.086 10.198 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.044 11.605 0.345 1.00 0.00 H new ATOM 0 HG LEU A 19 0.714 10.592 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.645 8.130 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.987 8.838 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.385 8.148 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.460 9.300 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.500 9.363 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.154 10.862 0.677 1.00 0.00 H new ATOM 257 N SER A 20 -1.501 13.951 1.237 1.00 0.00 N ATOM 258 CA SER A 20 -1.903 15.186 0.573 1.00 0.00 C ATOM 259 C SER A 20 -0.683 15.972 0.103 1.00 0.00 C ATOM 260 O SER A 20 0.265 16.181 0.859 1.00 0.00 O ATOM 261 CB SER A 20 -2.746 16.046 1.517 1.00 0.00 C ATOM 262 OG SER A 20 -2.070 16.271 2.742 1.00 0.00 O ATOM 0 H SER A 20 -0.698 14.048 1.858 1.00 0.00 H new ATOM 0 HA SER A 20 -2.502 14.923 -0.299 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.971 17.001 1.041 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.699 15.553 1.709 1.00 0.00 H new ATOM 0 HG SER A 20 -1.102 16.272 2.586 1.00 0.00 H new ATOM 268 N LYS A 21 -0.715 16.406 -1.153 1.00 0.00 N ATOM 269 CA LYS A 21 0.386 17.170 -1.727 1.00 0.00 C ATOM 270 C LYS A 21 -0.132 18.224 -2.700 1.00 0.00 C ATOM 271 O LYS A 21 -1.299 18.200 -3.090 1.00 0.00 O ATOM 272 CB LYS A 21 1.364 16.236 -2.443 1.00 0.00 C ATOM 273 CG LYS A 21 0.827 15.679 -3.750 1.00 0.00 C ATOM 274 CD LYS A 21 1.777 14.659 -4.354 1.00 0.00 C ATOM 275 CE LYS A 21 1.583 14.539 -5.858 1.00 0.00 C ATOM 276 NZ LYS A 21 2.488 13.517 -6.454 1.00 0.00 N ATOM 0 H LYS A 21 -1.492 16.241 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 21 0.906 17.676 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.290 16.776 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.614 15.408 -1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.144 15.215 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.670 16.494 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.806 14.948 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.615 13.688 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.547 14.275 -6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.768 15.506 -6.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.202 13.330 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.467 13.869 -6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.428 12.637 -5.903 1.00 0.00 H new ATOM 290 N GLN A 22 0.743 19.146 -3.089 1.00 0.00 N ATOM 291 CA GLN A 22 0.372 20.207 -4.018 1.00 0.00 C ATOM 292 C GLN A 22 0.410 19.708 -5.458 1.00 0.00 C ATOM 293 O GLN A 22 0.858 18.594 -5.726 1.00 0.00 O ATOM 294 CB GLN A 22 1.309 21.405 -3.856 1.00 0.00 C ATOM 295 CG GLN A 22 1.220 22.067 -2.490 1.00 0.00 C ATOM 296 CD GLN A 22 -0.210 22.331 -2.061 1.00 0.00 C ATOM 297 OE1 GLN A 22 -0.637 21.906 -0.987 1.00 0.00 O ATOM 298 NE2 GLN A 22 -0.960 23.035 -2.901 1.00 0.00 N ATOM 0 H GLN A 22 1.713 19.180 -2.775 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.647 20.517 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.335 21.079 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.078 22.143 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.706 21.431 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.769 23.009 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.565 23.368 -3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.931 23.243 -2.666 1.00 0.00 H new ATOM 307 N GLU A 23 -0.064 20.539 -6.381 1.00 0.00 N ATOM 308 CA GLU A 23 -0.084 20.181 -7.794 1.00 0.00 C ATOM 309 C GLU A 23 1.325 20.195 -8.379 1.00 0.00 C ATOM 310 O GLU A 23 1.856 21.251 -8.721 1.00 0.00 O ATOM 311 CB GLU A 23 -0.983 21.142 -8.574 1.00 0.00 C ATOM 312 CG GLU A 23 -0.753 22.604 -8.231 1.00 0.00 C ATOM 313 CD GLU A 23 -1.059 23.531 -9.391 1.00 0.00 C ATOM 314 OE1 GLU A 23 -2.191 23.471 -9.915 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.167 24.316 -9.775 1.00 0.00 O ATOM 0 H GLU A 23 -0.439 21.465 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.484 19.171 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.816 20.997 -9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.025 20.891 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.377 22.876 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.284 22.742 -7.924 1.00 0.00 H new ATOM 322 N GLY A 24 1.926 19.014 -8.491 1.00 0.00 N ATOM 323 CA GLY A 24 3.267 18.913 -9.035 1.00 0.00 C ATOM 324 C GLY A 24 4.319 18.752 -7.956 1.00 0.00 C ATOM 325 O GLY A 24 5.504 18.986 -8.195 1.00 0.00 O ATOM 0 H GLY A 24 1.508 18.126 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.317 18.063 -9.716 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.486 19.805 -9.622 1.00 0.00 H new ATOM 329 N GLN A 25 3.886 18.352 -6.764 1.00 0.00 N ATOM 330 CA GLN A 25 4.800 18.163 -5.644 1.00 0.00 C ATOM 331 C GLN A 25 4.961 16.682 -5.317 1.00 0.00 C ATOM 332 O GLN A 25 4.119 15.861 -5.680 1.00 0.00 O ATOM 333 CB GLN A 25 4.295 18.917 -4.413 1.00 0.00 C ATOM 334 CG GLN A 25 5.407 19.392 -3.492 1.00 0.00 C ATOM 335 CD GLN A 25 4.880 19.982 -2.198 1.00 0.00 C ATOM 336 OE1 GLN A 25 5.058 21.170 -1.926 1.00 0.00 O ATOM 337 NE2 GLN A 25 4.228 19.153 -1.391 1.00 0.00 N ATOM 0 H GLN A 25 2.909 18.153 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 25 5.773 18.561 -5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.712 19.778 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.621 18.270 -3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.067 18.555 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.008 20.140 -4.010 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.103 18.176 -1.656 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.852 19.493 -0.506 1.00 0.00 H new ATOM 346 N ASN A 26 6.049 16.347 -4.631 1.00 0.00 N ATOM 347 CA ASN A 26 6.320 14.964 -4.256 1.00 0.00 C ATOM 348 C ASN A 26 5.617 14.606 -2.950 1.00 0.00 C ATOM 349 O ASN A 26 5.049 15.470 -2.282 1.00 0.00 O ATOM 350 CB ASN A 26 7.827 14.738 -4.115 1.00 0.00 C ATOM 351 CG ASN A 26 8.533 15.925 -3.488 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.585 17.009 -4.068 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.082 15.723 -2.295 1.00 0.00 N ATOM 0 H ASN A 26 6.757 17.014 -4.324 1.00 0.00 H new ATOM 0 HA ASN A 26 5.934 14.318 -5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.003 13.851 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.256 14.541 -5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.571 16.484 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.014 14.807 -1.851 1.00 0.00 H new ATOM 360 N TYR A 27 5.661 13.327 -2.593 1.00 0.00 N ATOM 361 CA TYR A 27 5.027 12.854 -1.368 1.00 0.00 C ATOM 362 C TYR A 27 6.057 12.667 -0.258 1.00 0.00 C ATOM 363 O TYR A 27 5.759 12.858 0.920 1.00 0.00 O ATOM 364 CB TYR A 27 4.292 11.537 -1.625 1.00 0.00 C ATOM 365 CG TYR A 27 2.853 11.720 -2.050 1.00 0.00 C ATOM 366 CD1 TYR A 27 1.962 12.442 -1.266 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.384 11.170 -3.237 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.646 12.610 -1.651 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.070 11.335 -3.631 1.00 0.00 C ATOM 370 CZ TYR A 27 0.205 12.055 -2.834 1.00 0.00 C ATOM 371 OH TYR A 27 -1.105 12.221 -3.221 1.00 0.00 O ATOM 0 H TYR A 27 6.129 12.600 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 27 4.307 13.607 -1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.822 10.979 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.320 10.932 -0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.304 12.879 -0.340 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.058 10.604 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.034 13.173 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.722 10.903 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.346 13.169 -3.161 1.00 0.00 H new ATOM 381 N GLY A 28 7.273 12.292 -0.645 1.00 0.00 N ATOM 382 CA GLY A 28 8.330 12.086 0.327 1.00 0.00 C ATOM 383 C GLY A 28 8.784 10.641 0.391 1.00 0.00 C ATOM 384 O GLY A 28 9.947 10.360 0.681 1.00 0.00 O ATOM 0 H GLY A 28 7.544 12.127 -1.614 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.180 12.720 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.980 12.398 1.311 1.00 0.00 H new ATOM 388 N PHE A 29 7.864 9.720 0.122 1.00 0.00 N ATOM 389 CA PHE A 29 8.175 8.296 0.153 1.00 0.00 C ATOM 390 C PHE A 29 8.182 7.710 -1.255 1.00 0.00 C ATOM 391 O PHE A 29 7.380 8.098 -2.105 1.00 0.00 O ATOM 392 CB PHE A 29 7.162 7.550 1.024 1.00 0.00 C ATOM 393 CG PHE A 29 5.948 7.088 0.269 1.00 0.00 C ATOM 394 CD1 PHE A 29 4.941 7.980 -0.062 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.815 5.762 -0.110 1.00 0.00 C ATOM 396 CE1 PHE A 29 3.823 7.558 -0.757 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.700 5.335 -0.806 1.00 0.00 C ATOM 398 CZ PHE A 29 3.702 6.234 -1.129 1.00 0.00 C ATOM 0 H PHE A 29 6.897 9.935 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 29 9.170 8.176 0.582 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.650 6.686 1.476 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.847 8.201 1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.030 9.017 0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.591 5.054 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.045 8.263 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.609 4.299 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.829 5.902 -1.671 1.00 0.00 H new ATOM 408 N PHE A 30 9.094 6.773 -1.495 1.00 0.00 N ATOM 409 CA PHE A 30 9.207 6.134 -2.801 1.00 0.00 C ATOM 410 C PHE A 30 8.858 4.651 -2.712 1.00 0.00 C ATOM 411 O PHE A 30 9.258 3.962 -1.773 1.00 0.00 O ATOM 412 CB PHE A 30 10.624 6.303 -3.354 1.00 0.00 C ATOM 413 CG PHE A 30 10.913 7.693 -3.844 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.214 8.224 -4.917 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.885 8.470 -3.233 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.478 9.503 -5.370 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.152 9.749 -3.682 1.00 0.00 C ATOM 418 CZ PHE A 30 11.449 10.266 -4.752 1.00 0.00 C ATOM 0 H PHE A 30 9.765 6.440 -0.803 1.00 0.00 H new ATOM 0 HA PHE A 30 8.501 6.616 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.342 6.043 -2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.772 5.599 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.454 7.631 -5.405 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.440 8.071 -2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.925 9.905 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.911 10.344 -3.196 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.658 11.265 -5.105 1.00 0.00 H new ATOM 428 N LEU A 31 8.109 4.166 -3.697 1.00 0.00 N ATOM 429 CA LEU A 31 7.704 2.765 -3.731 1.00 0.00 C ATOM 430 C LEU A 31 8.822 1.889 -4.287 1.00 0.00 C ATOM 431 O LEU A 31 9.175 1.987 -5.463 1.00 0.00 O ATOM 432 CB LEU A 31 6.442 2.599 -4.578 1.00 0.00 C ATOM 433 CG LEU A 31 5.128 3.014 -3.914 1.00 0.00 C ATOM 434 CD1 LEU A 31 3.996 3.024 -4.929 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.800 2.084 -2.755 1.00 0.00 C ATOM 0 H LEU A 31 7.770 4.722 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 31 7.493 2.448 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.563 3.180 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.362 1.553 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 31 5.245 4.024 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.070 3.322 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.228 3.731 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.878 2.026 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.862 2.394 -2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.703 1.063 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.600 2.128 -2.016 1.00 0.00 H new ATOM 447 N ARG A 32 9.375 1.031 -3.435 1.00 0.00 N ATOM 448 CA ARG A 32 10.452 0.137 -3.842 1.00 0.00 C ATOM 449 C ARG A 32 10.014 -1.321 -3.743 1.00 0.00 C ATOM 450 O ARG A 32 8.938 -1.623 -3.226 1.00 0.00 O ATOM 451 CB ARG A 32 11.691 0.369 -2.975 1.00 0.00 C ATOM 452 CG ARG A 32 12.353 1.717 -3.206 1.00 0.00 C ATOM 453 CD ARG A 32 13.340 1.661 -4.361 1.00 0.00 C ATOM 454 NE ARG A 32 14.364 2.698 -4.257 1.00 0.00 N ATOM 455 CZ ARG A 32 15.508 2.671 -4.930 1.00 0.00 C ATOM 456 NH1 ARG A 32 15.774 1.666 -5.753 1.00 0.00 N ATOM 457 NH2 ARG A 32 16.390 3.652 -4.782 1.00 0.00 N ATOM 0 H ARG A 32 9.095 0.937 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 32 10.699 0.355 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.410 0.287 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.416 -0.421 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.590 2.468 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.870 2.030 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.817 0.681 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.803 1.775 -5.303 1.00 0.00 H new ATOM 0 HE ARG A 32 14.190 3.486 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.099 0.911 -5.871 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.654 1.648 -6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.189 4.428 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.269 3.630 -5.300 1.00 0.00 H new ATOM 471 N ILE A 33 10.854 -2.221 -4.243 1.00 0.00 N ATOM 472 CA ILE A 33 10.554 -3.647 -4.210 1.00 0.00 C ATOM 473 C ILE A 33 11.752 -4.450 -3.714 1.00 0.00 C ATOM 474 O ILE A 33 12.890 -4.190 -4.104 1.00 0.00 O ATOM 475 CB ILE A 33 10.142 -4.167 -5.600 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.263 -3.926 -6.613 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.855 -3.496 -6.057 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.030 -4.604 -7.945 1.00 0.00 C ATOM 0 H ILE A 33 11.748 -1.988 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 33 9.721 -3.778 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 33 9.965 -5.240 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.371 -2.853 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.204 -4.282 -6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.577 -3.874 -7.041 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.058 -3.715 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.006 -2.418 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.864 -4.390 -8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.952 -5.681 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.106 -4.230 -8.387 1.00 0.00 H new ATOM 490 N GLU A 34 11.487 -5.427 -2.853 1.00 0.00 N ATOM 491 CA GLU A 34 12.544 -6.269 -2.305 1.00 0.00 C ATOM 492 C GLU A 34 12.461 -7.684 -2.871 1.00 0.00 C ATOM 493 O GLU A 34 11.465 -8.061 -3.488 1.00 0.00 O ATOM 494 CB GLU A 34 12.451 -6.313 -0.778 1.00 0.00 C ATOM 495 CG GLU A 34 13.649 -6.971 -0.114 1.00 0.00 C ATOM 496 CD GLU A 34 13.648 -6.799 1.392 1.00 0.00 C ATOM 497 OE1 GLU A 34 12.786 -7.409 2.059 1.00 0.00 O ATOM 498 OE2 GLU A 34 14.510 -6.055 1.905 1.00 0.00 O ATOM 0 H GLU A 34 10.550 -5.655 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 34 13.503 -5.837 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.349 -5.296 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.547 -6.851 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.655 -8.034 -0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.566 -6.547 -0.524 1.00 0.00 H new ATOM 505 N LYS A 35 13.517 -8.462 -2.657 1.00 0.00 N ATOM 506 CA LYS A 35 13.566 -9.836 -3.144 1.00 0.00 C ATOM 507 C LYS A 35 12.914 -10.790 -2.148 1.00 0.00 C ATOM 508 O LYS A 35 13.103 -10.663 -0.938 1.00 0.00 O ATOM 509 CB LYS A 35 15.015 -10.257 -3.397 1.00 0.00 C ATOM 510 CG LYS A 35 15.169 -11.727 -3.747 1.00 0.00 C ATOM 511 CD LYS A 35 16.631 -12.123 -3.865 1.00 0.00 C ATOM 512 CE LYS A 35 17.283 -12.261 -2.497 1.00 0.00 C ATOM 513 NZ LYS A 35 18.769 -12.265 -2.589 1.00 0.00 N ATOM 0 H LYS A 35 14.350 -8.165 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 35 13.011 -9.883 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.423 -9.654 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.608 -10.040 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.687 -12.336 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.658 -11.933 -4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.711 -13.067 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.166 -11.375 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.961 -11.440 -1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.946 -13.184 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.176 -12.361 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 19.078 -13.064 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.093 -11.374 -3.016 1.00 0.00 H new ATOM 527 N ASP A 36 12.149 -11.745 -2.665 1.00 0.00 N ATOM 528 CA ASP A 36 11.471 -12.722 -1.821 1.00 0.00 C ATOM 529 C ASP A 36 10.549 -12.031 -0.821 1.00 0.00 C ATOM 530 O ASP A 36 10.558 -12.345 0.369 1.00 0.00 O ATOM 531 CB ASP A 36 12.495 -13.583 -1.078 1.00 0.00 C ATOM 532 CG ASP A 36 13.192 -14.571 -1.993 1.00 0.00 C ATOM 533 OD1 ASP A 36 13.380 -14.246 -3.183 1.00 0.00 O ATOM 534 OD2 ASP A 36 13.549 -15.670 -1.517 1.00 0.00 O ATOM 0 H ASP A 36 11.983 -11.863 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 36 10.866 -13.362 -2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.239 -12.937 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.995 -14.125 -0.275 1.00 0.00 H new ATOM 539 N THR A 37 9.753 -11.086 -1.313 1.00 0.00 N ATOM 540 CA THR A 37 8.827 -10.349 -0.464 1.00 0.00 C ATOM 541 C THR A 37 7.451 -10.244 -1.112 1.00 0.00 C ATOM 542 O THR A 37 7.260 -10.657 -2.256 1.00 0.00 O ATOM 543 CB THR A 37 9.349 -8.931 -0.162 1.00 0.00 C ATOM 544 OG1 THR A 37 8.613 -8.360 0.925 1.00 0.00 O ATOM 545 CG2 THR A 37 9.230 -8.038 -1.387 1.00 0.00 C ATOM 0 H THR A 37 9.732 -10.814 -2.296 1.00 0.00 H new ATOM 0 HA THR A 37 8.744 -10.905 0.470 1.00 0.00 H new ATOM 0 HB THR A 37 10.401 -9.005 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.225 -7.867 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.605 -7.042 -1.149 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.815 -8.461 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.184 -7.970 -1.688 1.00 0.00 H new ATOM 553 N ASP A 38 6.496 -9.688 -0.375 1.00 0.00 N ATOM 554 CA ASP A 38 5.137 -9.527 -0.879 1.00 0.00 C ATOM 555 C ASP A 38 4.696 -8.069 -0.797 1.00 0.00 C ATOM 556 O ASP A 38 4.932 -7.394 0.204 1.00 0.00 O ATOM 557 CB ASP A 38 4.170 -10.411 -0.091 1.00 0.00 C ATOM 558 CG ASP A 38 2.921 -10.750 -0.880 1.00 0.00 C ATOM 559 OD1 ASP A 38 2.988 -10.746 -2.128 1.00 0.00 O ATOM 560 OD2 ASP A 38 1.877 -11.020 -0.251 1.00 0.00 O ATOM 0 H ASP A 38 6.638 -9.341 0.574 1.00 0.00 H new ATOM 0 HA ASP A 38 5.125 -9.833 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.676 -11.333 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.887 -9.903 0.831 1.00 0.00 H new ATOM 565 N GLY A 39 4.056 -7.588 -1.859 1.00 0.00 N ATOM 566 CA GLY A 39 3.593 -6.213 -1.887 1.00 0.00 C ATOM 567 C GLY A 39 4.728 -5.223 -2.058 1.00 0.00 C ATOM 568 O GLY A 39 5.886 -5.615 -2.210 1.00 0.00 O ATOM 0 H GLY A 39 3.850 -8.126 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.881 -6.089 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.060 -5.993 -0.962 1.00 0.00 H new ATOM 572 N HIS A 40 4.397 -3.936 -2.037 1.00 0.00 N ATOM 573 CA HIS A 40 5.398 -2.887 -2.193 1.00 0.00 C ATOM 574 C HIS A 40 5.940 -2.447 -0.836 1.00 0.00 C ATOM 575 O HIS A 40 5.248 -2.534 0.179 1.00 0.00 O ATOM 576 CB HIS A 40 4.800 -1.687 -2.929 1.00 0.00 C ATOM 577 CG HIS A 40 4.776 -1.849 -4.418 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.753 -1.337 -5.246 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.888 -2.471 -5.227 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.466 -1.636 -6.500 1.00 0.00 C ATOM 581 NE2 HIS A 40 4.338 -2.324 -6.516 1.00 0.00 N ATOM 0 H HIS A 40 3.444 -3.595 -1.914 1.00 0.00 H new ATOM 0 HA HIS A 40 6.222 -3.291 -2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.783 -1.523 -2.573 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.373 -0.795 -2.678 1.00 0.00 H new ATOM 0 HD1 HIS A 40 6.570 -0.810 -4.938 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.992 -2.987 -4.917 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.053 -1.364 -7.365 1.00 0.00 H new ATOM 590 N LEU A 41 7.182 -1.975 -0.826 1.00 0.00 N ATOM 591 CA LEU A 41 7.818 -1.523 0.406 1.00 0.00 C ATOM 592 C LEU A 41 8.188 -0.046 0.318 1.00 0.00 C ATOM 593 O LEU A 41 8.830 0.387 -0.641 1.00 0.00 O ATOM 594 CB LEU A 41 9.068 -2.357 0.695 1.00 0.00 C ATOM 595 CG LEU A 41 8.869 -3.872 0.733 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.212 -4.586 0.751 1.00 0.00 C ATOM 597 CD2 LEU A 41 8.035 -4.270 1.943 1.00 0.00 C ATOM 0 H LEU A 41 7.768 -1.896 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 41 7.106 -1.653 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.817 -2.128 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.478 -2.040 1.654 1.00 0.00 H new ATOM 0 HG LEU A 41 8.333 -4.172 -0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.051 -5.664 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.775 -4.326 -0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.774 -4.281 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.903 -5.352 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.544 -3.957 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.060 -3.786 1.888 1.00 0.00 H new ATOM 609 N ILE A 42 7.781 0.722 1.323 1.00 0.00 N ATOM 610 CA ILE A 42 8.073 2.150 1.359 1.00 0.00 C ATOM 611 C ILE A 42 9.496 2.408 1.843 1.00 0.00 C ATOM 612 O ILE A 42 9.938 1.833 2.838 1.00 0.00 O ATOM 613 CB ILE A 42 7.088 2.903 2.272 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.675 2.851 1.687 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.536 4.344 2.461 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.884 1.638 2.124 1.00 0.00 C ATOM 0 H ILE A 42 7.248 0.380 2.123 1.00 0.00 H new ATOM 0 HA ILE A 42 7.966 2.520 0.339 1.00 0.00 H new ATOM 0 HB ILE A 42 7.076 2.416 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.136 3.751 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.740 2.859 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.829 4.863 3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.526 4.360 2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.574 4.843 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.893 1.667 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.401 0.733 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.787 1.639 3.210 1.00 0.00 H new ATOM 628 N ARG A 43 10.208 3.278 1.134 1.00 0.00 N ATOM 629 CA ARG A 43 11.581 3.613 1.491 1.00 0.00 C ATOM 630 C ARG A 43 11.905 5.055 1.112 1.00 0.00 C ATOM 631 O ARG A 43 11.234 5.652 0.270 1.00 0.00 O ATOM 632 CB ARG A 43 12.558 2.660 0.800 1.00 0.00 C ATOM 633 CG ARG A 43 12.363 1.203 1.186 1.00 0.00 C ATOM 634 CD ARG A 43 13.632 0.394 0.965 1.00 0.00 C ATOM 635 NE ARG A 43 13.390 -1.042 1.067 1.00 0.00 N ATOM 636 CZ ARG A 43 14.345 -1.933 1.309 1.00 0.00 C ATOM 637 NH1 ARG A 43 15.600 -1.537 1.474 1.00 0.00 N ATOM 638 NH2 ARG A 43 14.046 -3.224 1.387 1.00 0.00 N ATOM 0 H ARG A 43 9.856 3.764 0.309 1.00 0.00 H new ATOM 0 HA ARG A 43 11.685 3.508 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.447 2.759 -0.280 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.578 2.958 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.067 1.139 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.550 0.775 0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.042 0.624 -0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.382 0.688 1.699 1.00 0.00 H new ATOM 0 HE ARG A 43 12.435 -1.380 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.834 -0.546 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.331 -2.224 1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.082 -3.533 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.780 -3.907 1.573 1.00 0.00 H new ATOM 652 N VAL A 44 12.938 5.609 1.739 1.00 0.00 N ATOM 653 CA VAL A 44 13.352 6.980 1.466 1.00 0.00 C ATOM 654 C VAL A 44 12.298 7.976 1.937 1.00 0.00 C ATOM 655 O VAL A 44 11.997 8.950 1.245 1.00 0.00 O ATOM 656 CB VAL A 44 13.616 7.199 -0.035 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.198 8.583 -0.279 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.540 6.119 -0.576 1.00 0.00 C ATOM 0 H VAL A 44 13.503 5.129 2.439 1.00 0.00 H new ATOM 0 HA VAL A 44 14.277 7.147 2.017 1.00 0.00 H new ATOM 0 HB VAL A 44 12.667 7.132 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.378 8.719 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.496 9.340 0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.138 8.683 0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.716 6.289 -1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.489 6.151 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.078 5.142 -0.437 1.00 0.00 H new ATOM 668 N ILE A 45 11.740 7.725 3.116 1.00 0.00 N ATOM 669 CA ILE A 45 10.720 8.601 3.679 1.00 0.00 C ATOM 670 C ILE A 45 11.314 9.945 4.088 1.00 0.00 C ATOM 671 O ILE A 45 11.588 10.181 5.264 1.00 0.00 O ATOM 672 CB ILE A 45 10.040 7.959 4.904 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.321 6.671 4.498 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.066 8.938 5.542 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.688 5.941 5.662 1.00 0.00 C ATOM 0 H ILE A 45 11.977 6.923 3.700 1.00 0.00 H new ATOM 0 HA ILE A 45 9.974 8.758 2.900 1.00 0.00 H new ATOM 0 HB ILE A 45 10.806 7.709 5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.549 6.910 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.032 6.007 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.594 8.470 6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.604 9.830 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.302 9.216 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.196 5.038 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.458 5.671 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.953 6.588 6.141 1.00 0.00 H new ATOM 687 N GLU A 46 11.507 10.822 3.108 1.00 0.00 N ATOM 688 CA GLU A 46 12.068 12.144 3.367 1.00 0.00 C ATOM 689 C GLU A 46 11.512 12.726 4.663 1.00 0.00 C ATOM 690 O GLU A 46 10.355 12.495 5.013 1.00 0.00 O ATOM 691 CB GLU A 46 11.767 13.087 2.200 1.00 0.00 C ATOM 692 CG GLU A 46 12.694 14.288 2.134 1.00 0.00 C ATOM 693 CD GLU A 46 14.104 13.915 1.720 1.00 0.00 C ATOM 694 OE1 GLU A 46 14.271 12.872 1.054 1.00 0.00 O ATOM 695 OE2 GLU A 46 15.041 14.666 2.062 1.00 0.00 O ATOM 0 H GLU A 46 11.284 10.642 2.129 1.00 0.00 H new ATOM 0 HA GLU A 46 13.148 12.039 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.840 12.530 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.738 13.437 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.292 15.014 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.722 14.774 3.109 1.00 0.00 H new ATOM 702 N GLU A 47 12.346 13.483 5.370 1.00 0.00 N ATOM 703 CA GLU A 47 11.938 14.097 6.628 1.00 0.00 C ATOM 704 C GLU A 47 10.982 15.260 6.381 1.00 0.00 C ATOM 705 O GLU A 47 11.109 15.983 5.394 1.00 0.00 O ATOM 706 CB GLU A 47 13.163 14.586 7.404 1.00 0.00 C ATOM 707 CG GLU A 47 12.913 14.758 8.892 1.00 0.00 C ATOM 708 CD GLU A 47 12.423 16.149 9.244 1.00 0.00 C ATOM 709 OE1 GLU A 47 13.148 17.124 8.954 1.00 0.00 O ATOM 710 OE2 GLU A 47 11.315 16.264 9.808 1.00 0.00 O ATOM 0 H GLU A 47 13.307 13.685 5.093 1.00 0.00 H new ATOM 0 HA GLU A 47 11.420 13.342 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.979 13.878 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.490 15.538 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.177 14.024 9.220 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.834 14.552 9.438 1.00 0.00 H new ATOM 717 N GLY A 48 10.023 15.434 7.286 1.00 0.00 N ATOM 718 CA GLY A 48 9.059 16.510 7.148 1.00 0.00 C ATOM 719 C GLY A 48 8.212 16.373 5.899 1.00 0.00 C ATOM 720 O GLY A 48 7.863 17.369 5.265 1.00 0.00 O ATOM 0 H GLY A 48 9.897 14.849 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.410 16.526 8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.585 17.464 7.123 1.00 0.00 H new ATOM 724 N SER A 49 7.882 15.135 5.542 1.00 0.00 N ATOM 725 CA SER A 49 7.076 14.871 4.356 1.00 0.00 C ATOM 726 C SER A 49 5.665 14.438 4.744 1.00 0.00 C ATOM 727 O SER A 49 5.426 13.917 5.834 1.00 0.00 O ATOM 728 CB SER A 49 7.734 13.791 3.496 1.00 0.00 C ATOM 729 OG SER A 49 7.287 12.499 3.868 1.00 0.00 O ATOM 0 H SER A 49 8.161 14.300 6.057 1.00 0.00 H new ATOM 0 HA SER A 49 7.009 15.794 3.780 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.506 13.969 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.817 13.848 3.601 1.00 0.00 H new ATOM 0 HG SER A 49 8.008 12.025 4.333 1.00 0.00 H new ATOM 735 N PRO A 50 4.707 14.659 3.832 1.00 0.00 N ATOM 736 CA PRO A 50 3.304 14.299 4.054 1.00 0.00 C ATOM 737 C PRO A 50 3.087 12.789 4.061 1.00 0.00 C ATOM 738 O PRO A 50 1.990 12.312 4.352 1.00 0.00 O ATOM 739 CB PRO A 50 2.581 14.938 2.865 1.00 0.00 C ATOM 740 CG PRO A 50 3.618 15.036 1.800 1.00 0.00 C ATOM 741 CD PRO A 50 4.921 15.276 2.512 1.00 0.00 C ATOM 0 HA PRO A 50 2.944 14.642 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.737 14.329 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.185 15.920 3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.659 14.121 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.394 15.850 1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.757 14.817 1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.143 16.340 2.597 1.00 0.00 H new ATOM 749 N ALA A 51 4.138 12.043 3.739 1.00 0.00 N ATOM 750 CA ALA A 51 4.062 10.588 3.710 1.00 0.00 C ATOM 751 C ALA A 51 4.272 10.000 5.102 1.00 0.00 C ATOM 752 O ALA A 51 3.660 8.994 5.459 1.00 0.00 O ATOM 753 CB ALA A 51 5.088 10.025 2.737 1.00 0.00 C ATOM 0 H ALA A 51 5.053 12.422 3.494 1.00 0.00 H new ATOM 0 HA ALA A 51 3.065 10.307 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.020 8.937 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.891 10.411 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.089 10.323 3.051 1.00 0.00 H new ATOM 759 N GLU A 52 5.142 10.634 5.882 1.00 0.00 N ATOM 760 CA GLU A 52 5.433 10.172 7.234 1.00 0.00 C ATOM 761 C GLU A 52 4.339 10.607 8.205 1.00 0.00 C ATOM 762 O GLU A 52 3.843 9.806 8.998 1.00 0.00 O ATOM 763 CB GLU A 52 6.787 10.710 7.701 1.00 0.00 C ATOM 764 CG GLU A 52 7.169 10.265 9.102 1.00 0.00 C ATOM 765 CD GLU A 52 6.624 11.187 10.176 1.00 0.00 C ATOM 766 OE1 GLU A 52 6.914 12.400 10.120 1.00 0.00 O ATOM 767 OE2 GLU A 52 5.906 10.694 11.072 1.00 0.00 O ATOM 0 H GLU A 52 5.657 11.468 5.601 1.00 0.00 H new ATOM 0 HA GLU A 52 5.469 9.083 7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.558 10.384 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.766 11.799 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.797 9.255 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.255 10.222 9.182 1.00 0.00 H new ATOM 774 N LYS A 53 3.968 11.881 8.137 1.00 0.00 N ATOM 775 CA LYS A 53 2.933 12.424 9.008 1.00 0.00 C ATOM 776 C LYS A 53 1.655 11.595 8.918 1.00 0.00 C ATOM 777 O LYS A 53 0.770 11.709 9.765 1.00 0.00 O ATOM 778 CB LYS A 53 2.636 13.879 8.636 1.00 0.00 C ATOM 779 CG LYS A 53 3.505 14.884 9.372 1.00 0.00 C ATOM 780 CD LYS A 53 3.016 16.306 9.157 1.00 0.00 C ATOM 781 CE LYS A 53 3.400 16.825 7.779 1.00 0.00 C ATOM 782 NZ LYS A 53 2.889 18.204 7.544 1.00 0.00 N ATOM 0 H LYS A 53 4.369 12.557 7.487 1.00 0.00 H new ATOM 0 HA LYS A 53 3.300 12.384 10.034 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.777 14.007 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.588 14.093 8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.505 14.655 10.438 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.535 14.797 9.028 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.933 16.341 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.438 16.957 9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.485 16.818 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.004 16.156 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.171 18.522 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.851 18.207 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.287 18.848 8.257 1.00 0.00 H new ATOM 796 N ALA A 54 1.568 10.760 7.888 1.00 0.00 N ATOM 797 CA ALA A 54 0.401 9.910 7.690 1.00 0.00 C ATOM 798 C ALA A 54 0.589 8.555 8.366 1.00 0.00 C ATOM 799 O ALA A 54 -0.146 7.607 8.092 1.00 0.00 O ATOM 800 CB ALA A 54 0.127 9.727 6.205 1.00 0.00 C ATOM 0 H ALA A 54 2.292 10.654 7.178 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.458 10.401 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.747 9.090 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.059 10.698 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.991 9.261 5.730 1.00 0.00 H new ATOM 806 N GLY A 55 1.578 8.471 9.250 1.00 0.00 N ATOM 807 CA GLY A 55 1.844 7.228 9.950 1.00 0.00 C ATOM 808 C GLY A 55 2.703 6.279 9.139 1.00 0.00 C ATOM 809 O GLY A 55 3.374 5.407 9.695 1.00 0.00 O ATOM 0 H GLY A 55 2.200 9.242 9.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.341 7.446 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.899 6.741 10.192 1.00 0.00 H new ATOM 813 N LEU A 56 2.683 6.444 7.821 1.00 0.00 N ATOM 814 CA LEU A 56 3.465 5.593 6.931 1.00 0.00 C ATOM 815 C LEU A 56 4.942 5.622 7.309 1.00 0.00 C ATOM 816 O LEU A 56 5.568 6.683 7.332 1.00 0.00 O ATOM 817 CB LEU A 56 3.289 6.043 5.479 1.00 0.00 C ATOM 818 CG LEU A 56 3.406 4.948 4.419 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.072 4.240 4.233 1.00 0.00 C ATOM 820 CD2 LEU A 56 3.890 5.532 3.099 1.00 0.00 C ATOM 0 H LEU A 56 2.134 7.159 7.345 1.00 0.00 H new ATOM 0 HA LEU A 56 3.103 4.570 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.310 6.513 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.033 6.810 5.264 1.00 0.00 H new ATOM 0 HG LEU A 56 4.138 4.216 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.175 3.464 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.766 3.788 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.319 4.961 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.967 4.738 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.182 6.285 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.868 5.992 3.241 1.00 0.00 H new ATOM 832 N LEU A 57 5.495 4.450 7.603 1.00 0.00 N ATOM 833 CA LEU A 57 6.900 4.340 7.978 1.00 0.00 C ATOM 834 C LEU A 57 7.610 3.292 7.126 1.00 0.00 C ATOM 835 O LEU A 57 6.985 2.609 6.315 1.00 0.00 O ATOM 836 CB LEU A 57 7.027 3.980 9.459 1.00 0.00 C ATOM 837 CG LEU A 57 6.675 5.089 10.451 1.00 0.00 C ATOM 838 CD1 LEU A 57 6.112 4.498 11.735 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.896 5.946 10.748 1.00 0.00 C ATOM 0 H LEU A 57 4.992 3.563 7.589 1.00 0.00 H new ATOM 0 HA LEU A 57 7.374 5.306 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.385 3.122 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.052 3.662 9.649 1.00 0.00 H new ATOM 0 HG LEU A 57 5.911 5.723 10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.867 5.302 12.429 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.211 3.927 11.509 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.854 3.840 12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.627 6.730 11.456 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.681 5.324 11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.256 6.399 9.824 1.00 0.00 H new ATOM 851 N ASP A 58 8.919 3.170 7.317 1.00 0.00 N ATOM 852 CA ASP A 58 9.714 2.204 6.569 1.00 0.00 C ATOM 853 C ASP A 58 9.475 0.788 7.084 1.00 0.00 C ATOM 854 O ASP A 58 9.636 0.514 8.273 1.00 0.00 O ATOM 855 CB ASP A 58 11.201 2.550 6.665 1.00 0.00 C ATOM 856 CG ASP A 58 11.605 2.984 8.061 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.826 2.101 8.916 1.00 0.00 O ATOM 858 OD2 ASP A 58 11.701 4.206 8.297 1.00 0.00 O ATOM 0 H ASP A 58 9.452 3.728 7.984 1.00 0.00 H new ATOM 0 HA ASP A 58 9.405 2.249 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.793 1.683 6.372 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.432 3.347 5.959 1.00 0.00 H new ATOM 863 N GLY A 59 9.089 -0.108 6.181 1.00 0.00 N ATOM 864 CA GLY A 59 8.833 -1.484 6.564 1.00 0.00 C ATOM 865 C GLY A 59 7.365 -1.851 6.461 1.00 0.00 C ATOM 866 O GLY A 59 6.938 -2.880 6.983 1.00 0.00 O ATOM 0 H GLY A 59 8.949 0.094 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.416 -2.150 5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.173 -1.642 7.587 1.00 0.00 H new ATOM 870 N ASP A 60 6.592 -1.006 5.787 1.00 0.00 N ATOM 871 CA ASP A 60 5.164 -1.246 5.618 1.00 0.00 C ATOM 872 C ASP A 60 4.858 -1.737 4.206 1.00 0.00 C ATOM 873 O ASP A 60 5.599 -1.449 3.265 1.00 0.00 O ATOM 874 CB ASP A 60 4.372 0.030 5.911 1.00 0.00 C ATOM 875 CG ASP A 60 4.218 0.287 7.396 1.00 0.00 C ATOM 876 OD1 ASP A 60 3.698 -0.602 8.103 1.00 0.00 O ATOM 877 OD2 ASP A 60 4.618 1.378 7.854 1.00 0.00 O ATOM 0 H ASP A 60 6.931 -0.149 5.349 1.00 0.00 H new ATOM 0 HA ASP A 60 4.865 -2.020 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.874 0.880 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.385 -0.045 5.454 1.00 0.00 H new ATOM 882 N ARG A 61 3.765 -2.479 4.067 1.00 0.00 N ATOM 883 CA ARG A 61 3.364 -3.011 2.770 1.00 0.00 C ATOM 884 C ARG A 61 2.005 -2.457 2.352 1.00 0.00 C ATOM 885 O ARG A 61 1.055 -2.455 3.136 1.00 0.00 O ATOM 886 CB ARG A 61 3.311 -4.540 2.817 1.00 0.00 C ATOM 887 CG ARG A 61 4.658 -5.203 2.585 1.00 0.00 C ATOM 888 CD ARG A 61 5.409 -5.409 3.891 1.00 0.00 C ATOM 889 NE ARG A 61 6.561 -6.292 3.727 1.00 0.00 N ATOM 890 CZ ARG A 61 6.461 -7.586 3.444 1.00 0.00 C ATOM 891 NH1 ARG A 61 5.268 -8.145 3.295 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.556 -8.324 3.310 1.00 0.00 N ATOM 0 H ARG A 61 3.141 -2.726 4.836 1.00 0.00 H new ATOM 0 HA ARG A 61 4.105 -2.702 2.033 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.924 -4.852 3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.607 -4.894 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.512 -6.164 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.257 -4.588 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.743 -4.444 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.733 -5.830 4.635 1.00 0.00 H new ATOM 0 HE ARG A 61 7.493 -5.893 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.424 -7.581 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.194 -9.139 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.476 -7.898 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.478 -9.318 3.093 1.00 0.00 H new ATOM 906 N VAL A 62 1.919 -1.987 1.112 1.00 0.00 N ATOM 907 CA VAL A 62 0.677 -1.431 0.589 1.00 0.00 C ATOM 908 C VAL A 62 -0.097 -2.472 -0.212 1.00 0.00 C ATOM 909 O VAL A 62 0.419 -3.040 -1.176 1.00 0.00 O ATOM 910 CB VAL A 62 0.944 -0.205 -0.305 1.00 0.00 C ATOM 911 CG1 VAL A 62 2.060 -0.500 -1.296 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.327 0.212 -1.030 1.00 0.00 C ATOM 0 H VAL A 62 2.695 -1.980 0.450 1.00 0.00 H new ATOM 0 HA VAL A 62 0.082 -1.122 1.448 1.00 0.00 H new ATOM 0 HB VAL A 62 1.262 0.623 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.235 0.377 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.972 -0.747 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.774 -1.342 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.120 1.079 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.677 -0.611 -1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.095 0.467 -0.300 1.00 0.00 H new ATOM 922 N LEU A 63 -1.339 -2.717 0.192 1.00 0.00 N ATOM 923 CA LEU A 63 -2.186 -3.690 -0.489 1.00 0.00 C ATOM 924 C LEU A 63 -2.851 -3.071 -1.714 1.00 0.00 C ATOM 925 O LEU A 63 -2.702 -3.568 -2.830 1.00 0.00 O ATOM 926 CB LEU A 63 -3.253 -4.225 0.469 1.00 0.00 C ATOM 927 CG LEU A 63 -2.736 -4.913 1.733 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.779 -4.852 2.838 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.354 -6.355 1.437 1.00 0.00 C ATOM 0 H LEU A 63 -1.781 -2.256 0.987 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.555 -4.515 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.894 -3.395 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.879 -4.932 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.845 -4.385 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.394 -5.346 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.004 -3.811 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.688 -5.355 2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.988 -6.829 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.228 -6.895 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.572 -6.376 0.678 1.00 0.00 H new ATOM 941 N ARG A 64 -3.581 -1.983 -1.498 1.00 0.00 N ATOM 942 CA ARG A 64 -4.268 -1.294 -2.584 1.00 0.00 C ATOM 943 C ARG A 64 -3.829 0.165 -2.667 1.00 0.00 C ATOM 944 O ARG A 64 -3.707 0.845 -1.648 1.00 0.00 O ATOM 945 CB ARG A 64 -5.783 -1.372 -2.389 1.00 0.00 C ATOM 946 CG ARG A 64 -6.282 -2.765 -2.044 1.00 0.00 C ATOM 947 CD ARG A 64 -7.802 -2.823 -2.019 1.00 0.00 C ATOM 948 NE ARG A 64 -8.306 -4.142 -2.390 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.532 -4.356 -2.854 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.375 -3.343 -3.002 1.00 0.00 N ATOM 951 NH2 ARG A 64 -9.918 -5.585 -3.171 1.00 0.00 N ATOM 0 H ARG A 64 -3.713 -1.559 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.003 -1.788 -3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.074 -0.684 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.276 -1.034 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.902 -3.480 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.890 -3.063 -1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.158 -2.567 -1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.204 -2.076 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.683 -4.943 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.082 -2.396 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.316 -3.510 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.273 -6.367 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.860 -5.748 -3.527 1.00 0.00 H new ATOM 965 N ILE A 65 -3.592 0.637 -3.886 1.00 0.00 N ATOM 966 CA ILE A 65 -3.167 2.015 -4.102 1.00 0.00 C ATOM 967 C ILE A 65 -4.310 2.863 -4.649 1.00 0.00 C ATOM 968 O ILE A 65 -4.887 2.549 -5.689 1.00 0.00 O ATOM 969 CB ILE A 65 -1.975 2.091 -5.074 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.133 3.336 -4.786 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.465 2.097 -6.514 1.00 0.00 C ATOM 972 CD1 ILE A 65 -1.944 4.611 -4.721 1.00 0.00 C ATOM 0 H ILE A 65 -3.687 0.086 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.859 2.406 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.349 1.211 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.609 3.200 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.372 3.438 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.611 2.151 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.026 1.184 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.110 2.961 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.283 5.453 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.447 4.771 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.687 4.529 -3.928 1.00 0.00 H new ATOM 984 N ASN A 66 -4.630 3.942 -3.941 1.00 0.00 N ATOM 985 CA ASN A 66 -5.704 4.837 -4.357 1.00 0.00 C ATOM 986 C ASN A 66 -6.954 4.049 -4.737 1.00 0.00 C ATOM 987 O ASN A 66 -7.750 4.488 -5.565 1.00 0.00 O ATOM 988 CB ASN A 66 -5.251 5.696 -5.539 1.00 0.00 C ATOM 989 CG ASN A 66 -6.015 7.003 -5.631 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.143 7.041 -6.123 1.00 0.00 O ATOM 991 ND2 ASN A 66 -5.402 8.081 -5.158 1.00 0.00 N ATOM 0 H ASN A 66 -4.162 4.217 -3.078 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.947 5.486 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.186 5.907 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.384 5.135 -6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.866 8.989 -5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.467 8.002 -4.759 1.00 0.00 H new ATOM 998 N GLY A 67 -7.120 2.881 -4.123 1.00 0.00 N ATOM 999 CA GLY A 67 -8.274 2.050 -4.408 1.00 0.00 C ATOM 1000 C GLY A 67 -8.041 1.116 -5.579 1.00 0.00 C ATOM 1001 O GLY A 67 -8.928 0.914 -6.408 1.00 0.00 O ATOM 0 H GLY A 67 -6.475 2.496 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.523 1.464 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.133 2.687 -4.620 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.843 0.544 -5.648 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.494 -0.374 -6.726 1.00 0.00 C ATOM 1007 C VAL A 68 -5.547 -1.463 -6.235 1.00 0.00 C ATOM 1008 O VAL A 68 -4.451 -1.177 -5.754 1.00 0.00 O ATOM 1009 CB VAL A 68 -5.838 0.369 -7.905 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.401 -0.616 -8.979 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -6.793 1.406 -8.478 1.00 0.00 C ATOM 0 H VAL A 68 -6.097 0.700 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.423 -0.831 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.952 0.887 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.940 -0.074 -9.804 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.681 -1.317 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.269 -1.164 -9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.314 1.922 -9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.698 0.912 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.052 2.129 -7.704 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.978 -2.714 -6.361 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.169 -3.848 -5.930 1.00 0.00 C ATOM 1023 C PHE A 69 -3.841 -3.886 -6.682 1.00 0.00 C ATOM 1024 O PHE A 69 -3.811 -4.042 -7.903 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.929 -5.157 -6.149 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.460 -6.278 -5.266 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.681 -6.239 -3.898 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.799 -7.371 -5.803 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -5.249 -7.269 -3.084 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.365 -8.404 -4.993 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.592 -8.353 -3.632 1.00 0.00 C ATOM 0 H PHE A 69 -6.883 -2.968 -6.758 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.961 -3.730 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.991 -4.985 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.825 -5.458 -7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.196 -5.395 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.621 -7.417 -6.867 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.425 -7.226 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.849 -9.249 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.256 -9.160 -2.997 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.745 -3.742 -5.944 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.415 -3.760 -6.539 1.00 0.00 C ATOM 1043 C VAL A 70 -0.486 -4.703 -5.782 1.00 0.00 C ATOM 1044 O VAL A 70 0.654 -4.354 -5.475 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.791 -2.352 -6.563 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.611 -1.419 -7.441 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.671 -1.799 -5.151 1.00 0.00 C ATOM 0 H VAL A 70 -2.753 -3.612 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.532 -4.115 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 70 0.210 -2.425 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.155 -0.429 -7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.641 -1.809 -8.458 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.626 -1.349 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.228 -0.804 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.661 -1.740 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.038 -2.457 -4.555 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.982 -5.898 -5.483 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.196 -6.893 -4.762 1.00 0.00 C ATOM 1059 C ASP A 71 0.765 -7.612 -5.703 1.00 0.00 C ATOM 1060 O ASP A 71 1.890 -7.943 -5.326 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.118 -7.907 -4.082 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.466 -9.267 -3.924 1.00 0.00 C ATOM 1063 OD1 ASP A 71 -0.289 -9.962 -4.946 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.134 -9.637 -2.778 1.00 0.00 O ATOM 0 H ASP A 71 -1.924 -6.202 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 71 0.388 -6.377 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.408 -7.530 -3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.032 -8.011 -4.666 1.00 0.00 H new ATOM 1069 N LYS A 72 0.315 -7.853 -6.930 1.00 0.00 N ATOM 1070 CA LYS A 72 1.135 -8.533 -7.926 1.00 0.00 C ATOM 1071 C LYS A 72 1.605 -7.558 -9.001 1.00 0.00 C ATOM 1072 O LYS A 72 2.633 -7.775 -9.641 1.00 0.00 O ATOM 1073 CB LYS A 72 0.347 -9.676 -8.570 1.00 0.00 C ATOM 1074 CG LYS A 72 1.084 -10.356 -9.710 1.00 0.00 C ATOM 1075 CD LYS A 72 2.125 -11.337 -9.195 1.00 0.00 C ATOM 1076 CE LYS A 72 1.501 -12.679 -8.846 1.00 0.00 C ATOM 1077 NZ LYS A 72 2.534 -13.710 -8.548 1.00 0.00 N ATOM 0 H LYS A 72 -0.613 -7.587 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 72 2.011 -8.941 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.111 -10.418 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.601 -9.288 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.370 -10.881 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.568 -9.603 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.898 -11.479 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.614 -10.921 -8.314 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.846 -12.561 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.879 -13.017 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.069 -14.610 -8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.144 -13.841 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.112 -13.400 -7.741 1.00 0.00 H new ATOM 1091 N GLU A 73 0.846 -6.483 -9.192 1.00 0.00 N ATOM 1092 CA GLU A 73 1.188 -5.475 -10.189 1.00 0.00 C ATOM 1093 C GLU A 73 2.659 -5.083 -10.084 1.00 0.00 C ATOM 1094 O GLU A 73 3.336 -5.426 -9.116 1.00 0.00 O ATOM 1095 CB GLU A 73 0.306 -4.237 -10.017 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.172 -4.505 -10.251 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.522 -4.597 -11.723 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.192 -3.652 -12.471 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.127 -5.611 -12.128 1.00 0.00 O ATOM 0 H GLU A 73 -0.008 -6.288 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 73 1.013 -5.903 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.440 -3.843 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.640 -3.464 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.452 -5.435 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.759 -3.710 -9.791 1.00 0.00 H new ATOM 1106 N GLU A 74 3.146 -4.363 -11.090 1.00 0.00 N ATOM 1107 CA GLU A 74 4.537 -3.926 -11.112 1.00 0.00 C ATOM 1108 C GLU A 74 4.643 -2.433 -10.816 1.00 0.00 C ATOM 1109 O GLU A 74 3.715 -1.669 -11.082 1.00 0.00 O ATOM 1110 CB GLU A 74 5.170 -4.234 -12.471 1.00 0.00 C ATOM 1111 CG GLU A 74 6.663 -4.505 -12.399 1.00 0.00 C ATOM 1112 CD GLU A 74 7.388 -4.118 -13.673 1.00 0.00 C ATOM 1113 OE1 GLU A 74 7.075 -3.045 -14.231 1.00 0.00 O ATOM 1114 OE2 GLU A 74 8.269 -4.886 -14.113 1.00 0.00 O ATOM 0 H GLU A 74 2.599 -4.070 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 74 5.075 -4.472 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.672 -5.101 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.994 -3.394 -13.143 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.089 -3.953 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.827 -5.564 -12.199 1.00 0.00 H new ATOM 1121 N HIS A 75 5.781 -2.025 -10.263 1.00 0.00 N ATOM 1122 CA HIS A 75 6.009 -0.623 -9.930 1.00 0.00 C ATOM 1123 C HIS A 75 5.597 0.284 -11.085 1.00 0.00 C ATOM 1124 O HIS A 75 4.855 1.247 -10.897 1.00 0.00 O ATOM 1125 CB HIS A 75 7.480 -0.392 -9.584 1.00 0.00 C ATOM 1126 CG HIS A 75 7.823 1.048 -9.354 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.177 1.836 -8.425 1.00 0.00 N ATOM 1128 CD2 HIS A 75 8.751 1.841 -9.938 1.00 0.00 C ATOM 1129 CE1 HIS A 75 7.692 3.052 -8.449 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.650 3.081 -9.358 1.00 0.00 N ATOM 0 H HIS A 75 6.559 -2.645 -10.036 1.00 0.00 H new ATOM 0 HA HIS A 75 5.397 -0.377 -9.062 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.728 -0.963 -8.690 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.100 -0.780 -10.392 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.442 1.552 -10.716 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.382 3.882 -7.831 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.222 3.893 -9.591 1.00 0.00 H new ATOM 1139 N ALA A 76 6.084 -0.031 -12.281 1.00 0.00 N ATOM 1140 CA ALA A 76 5.766 0.755 -13.467 1.00 0.00 C ATOM 1141 C ALA A 76 4.260 0.948 -13.609 1.00 0.00 C ATOM 1142 O ALA A 76 3.804 1.941 -14.175 1.00 0.00 O ATOM 1143 CB ALA A 76 6.334 0.088 -14.710 1.00 0.00 C ATOM 0 H ALA A 76 6.700 -0.825 -12.454 1.00 0.00 H new ATOM 0 HA ALA A 76 6.223 1.738 -13.355 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.089 0.686 -15.588 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.417 0.007 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.904 -0.908 -14.817 1.00 0.00 H new ATOM 1149 N GLN A 77 3.494 -0.008 -13.093 1.00 0.00 N ATOM 1150 CA GLN A 77 2.039 0.058 -13.164 1.00 0.00 C ATOM 1151 C GLN A 77 1.465 0.765 -11.941 1.00 0.00 C ATOM 1152 O GLN A 77 0.486 1.504 -12.041 1.00 0.00 O ATOM 1153 CB GLN A 77 1.449 -1.349 -13.279 1.00 0.00 C ATOM 1154 CG GLN A 77 1.615 -1.968 -14.658 1.00 0.00 C ATOM 1155 CD GLN A 77 0.860 -1.209 -15.732 1.00 0.00 C ATOM 1156 OE1 GLN A 77 -0.303 -1.500 -16.012 1.00 0.00 O ATOM 1157 NE2 GLN A 77 1.519 -0.231 -16.340 1.00 0.00 N ATOM 0 H GLN A 77 3.856 -0.837 -12.622 1.00 0.00 H new ATOM 0 HA GLN A 77 1.769 0.631 -14.051 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.924 -1.995 -12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.388 -1.310 -13.033 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.674 -1.996 -14.915 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.265 -3.000 -14.634 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.482 -0.024 -16.076 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.062 0.314 -17.071 1.00 0.00 H new ATOM 1166 N VAL A 78 2.081 0.532 -10.786 1.00 0.00 N ATOM 1167 CA VAL A 78 1.632 1.147 -9.543 1.00 0.00 C ATOM 1168 C VAL A 78 1.856 2.655 -9.563 1.00 0.00 C ATOM 1169 O VAL A 78 1.136 3.409 -8.908 1.00 0.00 O ATOM 1170 CB VAL A 78 2.360 0.547 -8.325 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.982 1.295 -7.055 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.046 -0.935 -8.194 1.00 0.00 C ATOM 0 H VAL A 78 2.892 -0.078 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 78 0.565 0.943 -9.456 1.00 0.00 H new ATOM 0 HB VAL A 78 3.434 0.655 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.506 0.857 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.263 2.344 -7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.906 1.221 -6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.569 -1.343 -7.329 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.972 -1.069 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.372 -1.457 -9.094 1.00 0.00 H new ATOM 1182 N VAL A 79 2.859 3.089 -10.321 1.00 0.00 N ATOM 1183 CA VAL A 79 3.177 4.507 -10.428 1.00 0.00 C ATOM 1184 C VAL A 79 2.117 5.249 -11.235 1.00 0.00 C ATOM 1185 O VAL A 79 1.932 6.455 -11.074 1.00 0.00 O ATOM 1186 CB VAL A 79 4.553 4.725 -11.086 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.590 4.090 -12.468 1.00 0.00 C ATOM 1188 CG2 VAL A 79 4.876 6.210 -11.164 1.00 0.00 C ATOM 0 H VAL A 79 3.465 2.478 -10.869 1.00 0.00 H new ATOM 0 HA VAL A 79 3.200 4.904 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 79 5.312 4.243 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.569 4.254 -12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.405 3.019 -12.382 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.822 4.541 -13.096 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.851 6.346 -11.631 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.115 6.717 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.893 6.632 -10.159 1.00 0.00 H new ATOM 1198 N GLU A 80 1.423 4.519 -12.102 1.00 0.00 N ATOM 1199 CA GLU A 80 0.381 5.108 -12.935 1.00 0.00 C ATOM 1200 C GLU A 80 -0.846 5.463 -12.100 1.00 0.00 C ATOM 1201 O GLU A 80 -1.672 6.282 -12.506 1.00 0.00 O ATOM 1202 CB GLU A 80 -0.013 4.145 -14.057 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.979 4.746 -15.063 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.989 3.997 -16.382 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -1.365 2.806 -16.385 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -0.620 4.602 -17.410 1.00 0.00 O ATOM 0 H GLU A 80 1.563 3.519 -12.246 1.00 0.00 H new ATOM 0 HA GLU A 80 0.778 6.023 -13.375 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.887 3.821 -14.579 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.465 3.255 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.984 4.745 -14.641 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.710 5.787 -15.243 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.960 4.840 -10.932 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.086 5.088 -10.039 1.00 0.00 C ATOM 1215 C LEU A 81 -1.810 6.284 -9.133 1.00 0.00 C ATOM 1216 O LEU A 81 -2.670 7.144 -8.943 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.373 3.848 -9.191 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.913 2.631 -9.943 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -4.123 3.014 -10.780 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -1.828 2.021 -10.819 1.00 0.00 C ATOM 0 H LEU A 81 -0.286 4.159 -10.581 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.960 5.313 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.453 3.558 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.091 4.120 -8.417 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.224 1.885 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.493 2.135 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.906 3.404 -10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.838 3.778 -11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.230 1.156 -11.347 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.486 2.761 -11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.990 1.709 -10.196 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.603 6.334 -8.579 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.212 7.426 -7.696 1.00 0.00 C ATOM 1234 C VAL A 82 -0.095 8.738 -8.463 1.00 0.00 C ATOM 1235 O VAL A 82 -0.342 9.813 -7.916 1.00 0.00 O ATOM 1236 CB VAL A 82 1.130 7.131 -6.999 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.437 8.198 -5.958 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.108 5.748 -6.366 1.00 0.00 C ATOM 0 H VAL A 82 0.121 5.631 -8.726 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.993 7.518 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 82 1.921 7.150 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.388 7.973 -5.476 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.497 9.172 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.646 8.214 -5.209 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.064 5.556 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.307 5.698 -5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.937 4.997 -7.138 1.00 0.00 H new ATOM 1248 N ARG A 83 0.281 8.643 -9.735 1.00 0.00 N ATOM 1249 CA ARG A 83 0.431 9.822 -10.578 1.00 0.00 C ATOM 1250 C ARG A 83 -0.930 10.344 -11.029 1.00 0.00 C ATOM 1251 O ARG A 83 -1.138 11.553 -11.141 1.00 0.00 O ATOM 1252 CB ARG A 83 1.294 9.497 -11.798 1.00 0.00 C ATOM 1253 CG ARG A 83 0.571 8.677 -12.854 1.00 0.00 C ATOM 1254 CD ARG A 83 1.457 8.421 -14.064 1.00 0.00 C ATOM 1255 NE ARG A 83 1.842 9.661 -14.732 1.00 0.00 N ATOM 1256 CZ ARG A 83 2.888 10.396 -14.370 1.00 0.00 C ATOM 1257 NH1 ARG A 83 3.649 10.017 -13.352 1.00 0.00 N ATOM 1258 NH2 ARG A 83 3.175 11.513 -15.027 1.00 0.00 N ATOM 0 H ARG A 83 0.487 7.761 -10.204 1.00 0.00 H new ATOM 0 HA ARG A 83 0.922 10.598 -9.991 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.639 10.428 -12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.180 8.953 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.256 7.726 -12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.332 9.200 -13.167 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.353 7.885 -13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.931 7.778 -14.769 1.00 0.00 H new ATOM 0 HE ARG A 83 1.277 9.980 -15.519 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.432 9.159 -12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.451 10.583 -13.076 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.592 11.808 -15.811 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.978 12.077 -14.748 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.855 9.426 -11.287 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.197 9.791 -11.725 1.00 0.00 C ATOM 1274 C LYS A 84 -4.056 10.225 -10.542 1.00 0.00 C ATOM 1275 O LYS A 84 -5.044 10.940 -10.709 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.859 8.615 -12.446 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.493 7.605 -11.505 1.00 0.00 C ATOM 1278 CD LYS A 84 -5.223 6.513 -12.269 1.00 0.00 C ATOM 1279 CE LYS A 84 -6.673 6.890 -12.532 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.814 7.740 -13.746 1.00 0.00 N ATOM 0 H LYS A 84 -1.699 8.422 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.111 10.630 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.623 8.998 -13.123 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.113 8.109 -13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.723 7.158 -10.877 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.191 8.114 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.716 6.329 -13.216 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.185 5.583 -11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.268 5.984 -12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.072 7.422 -11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.741 7.568 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.738 8.742 -13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.062 7.504 -14.424 1.00 0.00 H new ATOM 1294 N SER A 85 -3.672 9.789 -9.346 1.00 0.00 N ATOM 1295 CA SER A 85 -4.410 10.131 -8.135 1.00 0.00 C ATOM 1296 C SER A 85 -4.904 11.573 -8.189 1.00 0.00 C ATOM 1297 O SER A 85 -6.104 11.834 -8.104 1.00 0.00 O ATOM 1298 CB SER A 85 -3.528 9.928 -6.902 1.00 0.00 C ATOM 1299 OG SER A 85 -2.472 10.873 -6.869 1.00 0.00 O ATOM 0 H SER A 85 -2.855 9.199 -9.190 1.00 0.00 H new ATOM 0 HA SER A 85 -5.275 9.472 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.132 10.021 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.117 8.919 -6.907 1.00 0.00 H new ATOM 0 HG SER A 85 -1.810 10.648 -7.555 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.969 12.508 -8.332 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.329 13.913 -8.395 1.00 0.00 C ATOM 1307 C GLY A 86 -3.632 14.738 -7.331 1.00 0.00 C ATOM 1308 O GLY A 86 -2.564 15.299 -7.572 1.00 0.00 O ATOM 0 H GLY A 86 -2.970 12.318 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.075 14.306 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.408 14.014 -8.280 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.239 14.813 -6.151 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.670 15.577 -5.047 1.00 0.00 C ATOM 1314 C ASN A 87 -3.385 14.675 -3.850 1.00 0.00 C ATOM 1315 O ASN A 87 -2.317 14.751 -3.243 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.622 16.702 -4.635 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.952 17.632 -5.787 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -6.103 17.726 -6.213 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.939 18.323 -6.297 1.00 0.00 N ATOM 0 H ASN A 87 -5.124 14.354 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.729 16.010 -5.385 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.544 16.270 -4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.172 17.277 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.099 18.964 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.001 18.213 -5.911 1.00 0.00 H new ATOM 1326 N SER A 88 -4.347 13.820 -3.518 1.00 0.00 N ATOM 1327 CA SER A 88 -4.200 12.904 -2.392 1.00 0.00 C ATOM 1328 C SER A 88 -4.273 11.453 -2.859 1.00 0.00 C ATOM 1329 O SER A 88 -4.842 11.155 -3.909 1.00 0.00 O ATOM 1330 CB SER A 88 -5.284 13.170 -1.346 1.00 0.00 C ATOM 1331 OG SER A 88 -5.207 14.498 -0.858 1.00 0.00 O ATOM 0 H SER A 88 -5.236 13.742 -4.012 1.00 0.00 H new ATOM 0 HA SER A 88 -3.222 13.074 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.267 12.997 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.176 12.468 -0.519 1.00 0.00 H new ATOM 0 HG SER A 88 -5.911 14.643 -0.192 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.693 10.555 -2.070 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.692 9.134 -2.400 1.00 0.00 C ATOM 1339 C VAL A 89 -3.991 8.284 -1.171 1.00 0.00 C ATOM 1340 O VAL A 89 -3.317 8.396 -0.146 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.341 8.698 -2.997 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.403 7.248 -3.454 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -1.947 9.612 -4.148 1.00 0.00 C ATOM 0 H VAL A 89 -3.218 10.786 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.475 8.981 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.578 8.778 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.440 6.957 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.637 6.608 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.177 7.139 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.990 9.289 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.709 9.566 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.860 10.636 -3.786 1.00 0.00 H new ATOM 1353 N THR A 90 -5.006 7.432 -1.279 1.00 0.00 N ATOM 1354 CA THR A 90 -5.395 6.563 -0.176 1.00 0.00 C ATOM 1355 C THR A 90 -4.659 5.229 -0.241 1.00 0.00 C ATOM 1356 O THR A 90 -4.888 4.425 -1.145 1.00 0.00 O ATOM 1357 CB THR A 90 -6.913 6.298 -0.178 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.625 7.535 -0.292 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.338 5.577 1.092 1.00 0.00 C ATOM 0 H THR A 90 -5.573 7.326 -2.120 1.00 0.00 H new ATOM 0 HA THR A 90 -5.124 7.081 0.744 1.00 0.00 H new ATOM 0 HB THR A 90 -7.148 5.664 -1.032 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.589 7.359 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.413 5.401 1.068 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.815 4.623 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.090 6.190 1.959 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.774 5.001 0.723 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.003 3.763 0.776 1.00 0.00 C ATOM 1369 C LEU A 91 -3.502 2.859 1.898 1.00 0.00 C ATOM 1370 O LEU A 91 -4.079 3.330 2.879 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.518 4.072 0.976 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.956 5.230 0.150 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.457 5.569 0.598 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.980 4.889 -1.333 1.00 0.00 C ATOM 0 H LEU A 91 -3.572 5.656 1.478 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.134 3.241 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.352 4.290 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.946 3.174 0.742 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.586 6.105 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.840 6.395 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.446 5.857 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.099 4.698 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.577 5.725 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.374 4.001 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.006 4.697 -1.646 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.273 1.559 1.749 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.697 0.587 2.752 1.00 0.00 C ATOM 1388 C LEU A 92 -2.521 -0.265 3.215 1.00 0.00 C ATOM 1389 O LEU A 92 -2.031 -1.120 2.477 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.801 -0.309 2.187 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.179 0.336 2.037 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.140 -0.613 1.339 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.726 0.748 3.396 1.00 0.00 C ATOM 0 H LEU A 92 -2.796 1.153 0.944 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.086 1.133 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.483 -0.670 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.899 -1.182 2.833 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.075 1.231 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.115 -0.136 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -6.755 -0.858 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.240 -1.526 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.707 1.205 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.815 -0.131 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.048 1.465 3.859 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.072 -0.029 4.444 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.955 -0.777 5.008 1.00 0.00 C ATOM 1407 C VAL A 93 -1.420 -1.688 6.139 1.00 0.00 C ATOM 1408 O VAL A 93 -2.259 -1.305 6.954 1.00 0.00 O ATOM 1409 CB VAL A 93 0.141 0.165 5.539 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.648 1.074 4.430 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.382 0.983 6.711 1.00 0.00 C ATOM 0 H VAL A 93 -2.465 0.675 5.068 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.541 -1.384 4.203 1.00 0.00 H new ATOM 0 HB VAL A 93 0.976 -0.440 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.422 1.732 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.063 0.468 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.177 1.674 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.406 1.643 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.235 1.579 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.692 0.313 7.513 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.867 -2.895 6.183 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.224 -3.862 7.215 1.00 0.00 C ATOM 1423 C LEU A 94 -0.042 -4.132 8.141 1.00 0.00 C ATOM 1424 O LEU A 94 1.105 -3.839 7.801 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.694 -5.170 6.576 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.288 -6.208 7.530 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.601 -5.709 8.112 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.489 -7.536 6.815 1.00 0.00 C ATOM 0 H LEU A 94 -0.170 -3.227 5.516 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.037 -3.441 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.441 -4.933 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.848 -5.623 6.059 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.587 -6.363 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.008 -6.461 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.427 -4.783 8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.310 -5.525 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.912 -8.262 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.169 -7.398 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.529 -7.901 6.448 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.329 -4.692 9.311 1.00 0.00 N ATOM 1441 CA ASP A 95 0.711 -5.005 10.284 1.00 0.00 C ATOM 1442 C ASP A 95 1.549 -6.193 9.823 1.00 0.00 C ATOM 1443 O ASP A 95 1.016 -7.259 9.515 1.00 0.00 O ATOM 1444 CB ASP A 95 0.088 -5.303 11.649 1.00 0.00 C ATOM 1445 CG ASP A 95 -1.045 -4.355 11.988 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.079 -3.243 11.420 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -1.899 -4.725 12.821 1.00 0.00 O ATOM 0 H ASP A 95 -1.273 -4.938 9.609 1.00 0.00 H new ATOM 0 HA ASP A 95 1.364 -4.137 10.372 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.284 -6.327 11.659 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.857 -5.235 12.419 1.00 0.00 H new ATOM 1452 N GLY A 96 2.864 -6.001 9.775 1.00 0.00 N ATOM 1453 CA GLY A 96 3.754 -7.065 9.349 1.00 0.00 C ATOM 1454 C GLY A 96 3.263 -8.436 9.772 1.00 0.00 C ATOM 1455 O GLY A 96 2.785 -9.213 8.946 1.00 0.00 O ATOM 0 H GLY A 96 3.329 -5.128 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.855 -7.037 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.746 -6.893 9.766 1.00 0.00 H new ATOM 1459 N ASP A 97 3.383 -8.733 11.061 1.00 0.00 N ATOM 1460 CA ASP A 97 2.949 -10.020 11.593 1.00 0.00 C ATOM 1461 C ASP A 97 1.672 -10.490 10.903 1.00 0.00 C ATOM 1462 O ASP A 97 1.613 -11.599 10.372 1.00 0.00 O ATOM 1463 CB ASP A 97 2.722 -9.922 13.102 1.00 0.00 C ATOM 1464 CG ASP A 97 1.686 -8.877 13.465 1.00 0.00 C ATOM 1465 OD1 ASP A 97 0.485 -9.218 13.498 1.00 0.00 O ATOM 1466 OD2 ASP A 97 2.076 -7.717 13.716 1.00 0.00 O ATOM 0 H ASP A 97 3.777 -8.100 11.757 1.00 0.00 H new ATOM 0 HA ASP A 97 3.735 -10.750 11.399 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.403 -10.893 13.482 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.665 -9.681 13.593 1.00 0.00 H new ATOM 1471 N SER A 98 0.651 -9.638 10.916 1.00 0.00 N ATOM 1472 CA SER A 98 -0.627 -9.968 10.296 1.00 0.00 C ATOM 1473 C SER A 98 -0.436 -10.360 8.834 1.00 0.00 C ATOM 1474 O SER A 98 -1.014 -11.339 8.362 1.00 0.00 O ATOM 1475 CB SER A 98 -1.588 -8.782 10.397 1.00 0.00 C ATOM 1476 OG SER A 98 -2.071 -8.628 11.720 1.00 0.00 O ATOM 0 H SER A 98 0.684 -8.715 11.349 1.00 0.00 H new ATOM 0 HA SER A 98 -1.053 -10.818 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.079 -7.870 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.426 -8.930 9.716 1.00 0.00 H new ATOM 0 HG SER A 98 -1.340 -8.779 12.355 1.00 0.00 H new ATOM 1482 N TYR A 99 0.377 -9.588 8.122 1.00 0.00 N ATOM 1483 CA TYR A 99 0.643 -9.851 6.713 1.00 0.00 C ATOM 1484 C TYR A 99 1.334 -11.199 6.532 1.00 0.00 C ATOM 1485 O TYR A 99 0.847 -12.065 5.805 1.00 0.00 O ATOM 1486 CB TYR A 99 1.507 -8.738 6.118 1.00 0.00 C ATOM 1487 CG TYR A 99 1.460 -8.676 4.608 1.00 0.00 C ATOM 1488 CD1 TYR A 99 1.916 -9.737 3.835 1.00 0.00 C ATOM 1489 CD2 TYR A 99 0.959 -7.557 3.955 1.00 0.00 C ATOM 1490 CE1 TYR A 99 1.875 -9.684 2.455 1.00 0.00 C ATOM 1491 CE2 TYR A 99 0.913 -7.496 2.576 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.373 -8.561 1.830 1.00 0.00 C ATOM 1493 OH TYR A 99 1.330 -8.505 0.456 1.00 0.00 O ATOM 0 H TYR A 99 0.864 -8.774 8.498 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.312 -9.879 6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.180 -7.780 6.523 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.540 -8.882 6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.309 -10.618 4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.599 -6.720 4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.234 -10.517 1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.519 -6.619 2.084 1.00 0.00 H new ATOM 0 HH TYR A 99 1.108 -9.390 0.099 1.00 0.00 H new ATOM 1503 N GLU A 100 2.471 -11.368 7.198 1.00 0.00 N ATOM 1504 CA GLU A 100 3.230 -12.610 7.111 1.00 0.00 C ATOM 1505 C GLU A 100 2.351 -13.810 7.453 1.00 0.00 C ATOM 1506 O GLU A 100 2.484 -14.881 6.861 1.00 0.00 O ATOM 1507 CB GLU A 100 4.437 -12.564 8.050 1.00 0.00 C ATOM 1508 CG GLU A 100 5.481 -11.536 7.650 1.00 0.00 C ATOM 1509 CD GLU A 100 6.841 -11.818 8.258 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.300 -12.976 8.174 1.00 0.00 O ATOM 1511 OE2 GLU A 100 7.447 -10.879 8.817 1.00 0.00 O ATOM 0 H GLU A 100 2.887 -10.661 7.804 1.00 0.00 H new ATOM 0 HA GLU A 100 3.582 -12.719 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.092 -12.345 9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.902 -13.549 8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.570 -11.518 6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.147 -10.546 7.959 1.00 0.00 H new ATOM 1518 N LYS A 101 1.452 -13.622 8.413 1.00 0.00 N ATOM 1519 CA LYS A 101 0.549 -14.687 8.836 1.00 0.00 C ATOM 1520 C LYS A 101 -0.441 -15.032 7.728 1.00 0.00 C ATOM 1521 O LYS A 101 -0.556 -16.189 7.325 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.208 -14.270 10.099 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.686 -15.444 10.936 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.850 -15.053 11.831 1.00 0.00 C ATOM 1525 CE LYS A 101 -3.162 -15.032 11.061 1.00 0.00 C ATOM 1526 NZ LYS A 101 -4.331 -15.281 11.950 1.00 0.00 N ATOM 0 H LYS A 101 1.329 -12.742 8.913 1.00 0.00 H new ATOM 0 HA LYS A 101 1.147 -15.572 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.439 -13.639 10.709 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.068 -13.664 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.988 -16.260 10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.136 -15.815 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.925 -15.756 12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.664 -14.069 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.279 -14.066 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.135 -15.788 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.206 -15.259 11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.232 -16.213 12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.372 -14.545 12.684 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.151 -14.021 7.239 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.128 -14.219 6.175 1.00 0.00 C ATOM 1542 C ALA A 102 -1.466 -14.766 4.916 1.00 0.00 C ATOM 1543 O ALA A 102 -1.776 -15.871 4.469 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.847 -12.913 5.870 1.00 0.00 C ATOM 0 H ALA A 102 -1.068 -13.057 7.562 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.858 -14.952 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.574 -13.075 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.361 -12.563 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.122 -12.164 5.552 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.552 -13.987 4.346 1.00 0.00 N ATOM 1551 CA VAL A 103 0.155 -14.394 3.138 1.00 0.00 C ATOM 1552 C VAL A 103 0.696 -15.814 3.270 1.00 0.00 C ATOM 1553 O VAL A 103 0.965 -16.483 2.272 1.00 0.00 O ATOM 1554 CB VAL A 103 1.321 -13.440 2.821 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.420 -13.574 3.864 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.864 -13.708 1.425 1.00 0.00 C ATOM 0 H VAL A 103 -0.284 -13.070 4.702 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.566 -14.357 2.322 1.00 0.00 H new ATOM 0 HB VAL A 103 0.948 -12.416 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.235 -12.892 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.020 -13.328 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.793 -14.598 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.688 -13.025 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.221 -14.736 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.073 -13.556 0.691 1.00 0.00 H new ATOM 1566 N LYS A 104 0.853 -16.268 4.509 1.00 0.00 N ATOM 1567 CA LYS A 104 1.360 -17.609 4.774 1.00 0.00 C ATOM 1568 C LYS A 104 0.242 -18.642 4.681 1.00 0.00 C ATOM 1569 O LYS A 104 0.434 -19.732 4.145 1.00 0.00 O ATOM 1570 CB LYS A 104 2.009 -17.667 6.158 1.00 0.00 C ATOM 1571 CG LYS A 104 3.476 -17.273 6.160 1.00 0.00 C ATOM 1572 CD LYS A 104 4.341 -18.341 5.511 1.00 0.00 C ATOM 1573 CE LYS A 104 4.533 -19.537 6.430 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.635 -19.316 7.406 1.00 0.00 N ATOM 0 H LYS A 104 0.636 -15.726 5.346 1.00 0.00 H new ATOM 0 HA LYS A 104 2.110 -17.843 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.464 -17.008 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.913 -18.678 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.601 -16.330 5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.808 -17.108 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.880 -18.667 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.312 -17.918 5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.606 -19.734 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.749 -20.423 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.734 -20.154 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.525 -19.153 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.417 -18.486 7.994 1.00 0.00 H new ATOM 1588 N ASN A 105 -0.927 -18.290 5.207 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.077 -19.187 5.182 1.00 0.00 C ATOM 1590 C ASN A 105 -2.928 -18.947 3.938 1.00 0.00 C ATOM 1591 O ASN A 105 -4.100 -19.320 3.895 1.00 0.00 O ATOM 1592 CB ASN A 105 -2.927 -18.994 6.440 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.115 -19.130 7.713 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.290 -20.035 7.843 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -2.345 -18.228 8.660 1.00 0.00 N ATOM 0 H ASN A 105 -1.103 -17.391 5.655 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.707 -20.212 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.393 -18.009 6.413 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.733 -19.728 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.828 -18.268 9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -3.038 -17.495 8.509 1.00 0.00 H new ATOM 1602 N GLN A 106 -2.328 -18.324 2.929 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.031 -18.035 1.685 1.00 0.00 C ATOM 1604 C GLN A 106 -4.418 -17.466 1.963 1.00 0.00 C ATOM 1605 O GLN A 106 -5.400 -17.859 1.332 1.00 0.00 O ATOM 1606 CB GLN A 106 -3.147 -19.301 0.834 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.884 -19.626 0.053 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.882 -21.042 -0.490 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.083 -21.261 -1.685 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.655 -22.012 0.387 1.00 0.00 N ATOM 0 H GLN A 106 -1.358 -18.010 2.949 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.456 -17.289 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.391 -20.143 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.976 -19.185 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.782 -18.924 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.016 -19.487 0.698 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.493 -21.785 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.642 -22.985 0.080 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.493 -16.537 2.911 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.760 -15.913 3.272 1.00 0.00 C ATOM 1621 C VAL A 107 -6.099 -14.769 2.323 1.00 0.00 C ATOM 1622 O VAL A 107 -5.222 -14.008 1.914 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.730 -15.377 4.716 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.058 -14.724 5.070 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.399 -16.495 5.692 1.00 0.00 C ATOM 0 H VAL A 107 -3.691 -16.200 3.443 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.527 -16.684 3.195 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.949 -14.620 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.019 -14.351 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.249 -13.895 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.859 -15.458 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.382 -16.099 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.155 -17.276 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.422 -16.913 5.449 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.377 -14.653 1.978 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.833 -13.600 1.078 1.00 0.00 C ATOM 1637 C ASP A 108 -7.438 -12.225 1.607 1.00 0.00 C ATOM 1638 O ASP A 108 -7.741 -11.876 2.748 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.350 -13.675 0.900 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.776 -14.864 0.060 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -9.167 -15.086 -1.007 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -10.719 -15.572 0.471 1.00 0.00 O ATOM 0 H ASP A 108 -8.115 -15.275 2.308 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.353 -13.749 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.825 -13.736 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.704 -12.757 0.431 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.759 -11.448 0.770 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.321 -10.111 1.153 1.00 0.00 C ATOM 1649 C LEU A 109 -7.150 -9.043 0.446 1.00 0.00 C ATOM 1650 O LEU A 109 -7.438 -7.989 1.013 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.839 -9.924 0.821 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.861 -10.810 1.594 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.470 -10.725 0.987 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.830 -10.415 3.063 1.00 0.00 C ATOM 0 H LEU A 109 -6.500 -11.721 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.463 -10.003 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.700 -10.107 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.575 -8.882 1.002 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.203 -11.843 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.788 -11.362 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.505 -11.058 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.119 -9.694 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.129 -11.056 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.513 -9.376 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.826 -10.530 3.492 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.533 -9.324 -0.795 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.333 -8.390 -1.579 1.00 0.00 C ATOM 1668 C LYS A 110 -9.541 -7.906 -0.783 1.00 0.00 C ATOM 1669 O LYS A 110 -10.023 -6.793 -0.986 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.798 -9.051 -2.879 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.711 -9.144 -3.936 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.237 -9.754 -5.224 1.00 0.00 C ATOM 1673 CE LYS A 110 -7.130 -9.922 -6.254 1.00 0.00 C ATOM 1674 NZ LYS A 110 -7.671 -10.027 -7.637 1.00 0.00 N ATOM 0 H LYS A 110 -7.302 -10.191 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.709 -7.529 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.164 -10.053 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.639 -8.487 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.314 -8.150 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -6.885 -9.746 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.688 -10.723 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.023 -9.120 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.447 -9.075 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.550 -10.815 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.886 -10.140 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.303 -10.850 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.203 -9.164 -7.868 1.00 0.00 H new ATOM 1688 N GLU A 111 -10.023 -8.750 0.124 1.00 0.00 N ATOM 1689 CA GLU A 111 -11.174 -8.407 0.951 1.00 0.00 C ATOM 1690 C GLU A 111 -10.818 -7.310 1.951 1.00 0.00 C ATOM 1691 O GLU A 111 -11.651 -6.468 2.288 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.684 -9.643 1.694 1.00 0.00 C ATOM 1693 CG GLU A 111 -10.674 -10.228 2.667 1.00 0.00 C ATOM 1694 CD GLU A 111 -11.087 -11.591 3.188 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -11.811 -12.307 2.465 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -10.687 -11.941 4.318 1.00 0.00 O ATOM 0 H GLU A 111 -9.634 -9.676 0.305 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.962 -8.036 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.591 -9.381 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.959 -10.406 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.705 -10.310 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.547 -9.545 3.507 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.576 -7.327 2.421 1.00 0.00 N ATOM 1704 CA LEU A 112 -9.108 -6.335 3.382 1.00 0.00 C ATOM 1705 C LEU A 112 -9.543 -4.932 2.972 1.00 0.00 C ATOM 1706 O LEU A 112 -8.897 -4.288 2.144 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.584 -6.394 3.505 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.992 -7.758 3.859 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.476 -7.728 3.744 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.414 -8.176 5.260 1.00 0.00 C ATOM 0 H LEU A 112 -8.875 -8.017 2.152 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.553 -6.565 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.150 -6.066 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.273 -5.677 4.265 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.375 -8.493 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.072 -8.708 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.194 -7.475 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.074 -6.980 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.983 -9.149 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.061 -7.439 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.501 -8.239 5.309 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.639 -4.463 3.557 1.00 0.00 N ATOM 1723 CA ASP A 113 -11.158 -3.134 3.255 1.00 0.00 C ATOM 1724 C ASP A 113 -11.413 -2.346 4.536 1.00 0.00 C ATOM 1725 O ASP A 113 -12.457 -2.495 5.170 1.00 0.00 O ATOM 1726 CB ASP A 113 -12.449 -3.240 2.442 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.520 -4.041 3.157 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -13.232 -5.186 3.563 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -14.644 -3.521 3.312 1.00 0.00 O ATOM 0 H ASP A 113 -11.186 -4.983 4.243 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.409 -2.604 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.827 -2.239 2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.232 -3.706 1.481 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.451 -1.508 4.911 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.571 -0.699 6.118 1.00 0.00 C ATOM 1736 C GLN A 114 -12.005 -0.213 6.307 1.00 0.00 C ATOM 1737 O GLN A 114 -12.700 0.094 5.338 1.00 0.00 O ATOM 1738 CB GLN A 114 -9.620 0.497 6.052 1.00 0.00 C ATOM 1739 CG GLN A 114 -9.211 1.025 7.417 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.315 1.816 8.092 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.995 1.316 8.988 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.499 3.060 7.663 1.00 0.00 N ATOM 0 H GLN A 114 -9.581 -1.372 4.397 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.302 -1.322 6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -8.725 0.209 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -10.097 1.299 5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -8.926 0.189 8.055 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -8.330 1.658 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -9.912 3.434 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.227 3.641 8.079 1.00 0.00 H new