USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 HIS : no HD1:sc= -3.32 K(o=-4.8,f=-1.5) USER MOD Set 1.2: A 130 ASN : amide:sc= -1.45 K(o=-4.8,f=-1.5) USER MOD Set 2.1: A 97 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-4!) USER MOD Set 2.2: A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 70 SER OG : rot 180:sc= 0.485 USER MOD Set 3.2: A 81 THR OG1 : rot -69:sc= 0.544 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 0.46 (180deg=0.00596) USER MOD Single : A 14 ASN : amide:sc= -0.0435 X(o=-0.043,f=-0.41) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 160:sc= -1.52! USER MOD Single : A 26 THR OG1 : rot -86:sc= 0.169 USER MOD Single : A 27 SER OG : rot -47:sc= 0.556 USER MOD Single : A 35 MET CE :methyl -113:sc= -1.22 (180deg=-3.91!) USER MOD Single : A 37 ASN : amide:sc= -2.73 K(o=-2.7,f=-16!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.355 K(o=0.35,f=-2.2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.056) USER MOD Single : A 48 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-1.3) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -48:sc= 0.68 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 2:sc= -1.07 USER MOD Single : A 59 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -86:sc= 0.965 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.18) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 93:sc= 0.291 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0793 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.174 8.745 -7.237 1.00 0.00 N ATOM 102 CA ILE A 7 -2.537 8.779 -5.830 1.00 0.00 C ATOM 103 C ILE A 7 -1.291 8.521 -4.980 1.00 0.00 C ATOM 104 O ILE A 7 -1.233 7.540 -4.240 1.00 0.00 O ATOM 105 CB ILE A 7 -3.685 7.808 -5.550 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.942 8.205 -6.326 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.952 7.694 -4.047 1.00 0.00 C ATOM 108 CD1 ILE A 7 -6.087 7.229 -6.053 1.00 0.00 C ATOM 0 HA ILE A 7 -2.911 9.766 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.389 6.820 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.244 9.214 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.723 8.225 -7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.773 6.998 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.056 7.330 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.218 8.673 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.968 7.535 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.791 6.226 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.320 7.230 -4.988 1.00 0.00 H new ATOM 120 N LYS A 8 -0.325 9.418 -5.115 1.00 0.00 N ATOM 121 CA LYS A 8 0.916 9.299 -4.369 1.00 0.00 C ATOM 122 C LYS A 8 0.719 9.877 -2.966 1.00 0.00 C ATOM 123 O LYS A 8 0.092 10.922 -2.803 1.00 0.00 O ATOM 124 CB LYS A 8 2.070 9.941 -5.142 1.00 0.00 C ATOM 125 CG LYS A 8 3.292 10.135 -4.243 1.00 0.00 C ATOM 126 CD LYS A 8 4.491 10.638 -5.048 1.00 0.00 C ATOM 127 CE LYS A 8 5.138 11.848 -4.371 1.00 0.00 C ATOM 128 NZ LYS A 8 6.595 11.635 -4.212 1.00 0.00 N ATOM 0 H LYS A 8 -0.377 10.230 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 8 1.189 8.251 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.336 9.314 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.753 10.904 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.056 10.847 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.545 9.192 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.225 9.839 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.170 10.908 -6.054 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.958 12.744 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.680 12.015 -3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.019 12.465 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.761 10.792 -3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.030 11.498 -5.147 1.00 0.00 H new ATOM 142 N LYS A 9 1.268 9.171 -1.988 1.00 0.00 N ATOM 143 CA LYS A 9 1.161 9.600 -0.604 1.00 0.00 C ATOM 144 C LYS A 9 2.485 9.330 0.113 1.00 0.00 C ATOM 145 O LYS A 9 3.317 8.568 -0.378 1.00 0.00 O ATOM 146 CB LYS A 9 -0.048 8.946 0.068 1.00 0.00 C ATOM 147 CG LYS A 9 -1.249 9.893 0.079 1.00 0.00 C ATOM 148 CD LYS A 9 -2.152 9.647 -1.131 1.00 0.00 C ATOM 149 CE LYS A 9 -3.183 10.767 -1.283 1.00 0.00 C ATOM 150 NZ LYS A 9 -2.839 11.638 -2.429 1.00 0.00 N ATOM 0 H LYS A 9 1.788 8.305 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 9 0.983 10.674 -0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.309 8.028 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.207 8.665 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.819 9.752 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.902 10.926 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.546 9.581 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.663 8.691 -1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.175 10.339 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.223 11.359 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.006 12.632 -2.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.837 11.508 -2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.432 11.387 -3.246 1.00 0.00 H new ATOM 164 N GLU A 10 2.639 9.968 1.264 1.00 0.00 N ATOM 165 CA GLU A 10 3.847 9.805 2.054 1.00 0.00 C ATOM 166 C GLU A 10 3.550 10.047 3.535 1.00 0.00 C ATOM 167 O GLU A 10 2.889 11.023 3.888 1.00 0.00 O ATOM 168 CB GLU A 10 4.956 10.736 1.558 1.00 0.00 C ATOM 169 CG GLU A 10 6.287 10.415 2.240 1.00 0.00 C ATOM 170 CD GLU A 10 6.466 11.245 3.512 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.533 12.486 3.375 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.532 10.621 4.593 1.00 0.00 O ATOM 0 H GLU A 10 1.947 10.599 1.668 1.00 0.00 H new ATOM 0 HA GLU A 10 4.198 8.780 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.063 10.636 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.682 11.772 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.327 9.354 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.109 10.615 1.553 1.00 0.00 H new ATOM 179 N VAL A 11 4.053 9.143 4.363 1.00 0.00 N ATOM 180 CA VAL A 11 3.849 9.246 5.798 1.00 0.00 C ATOM 181 C VAL A 11 5.177 8.997 6.516 1.00 0.00 C ATOM 182 O VAL A 11 6.101 8.426 5.940 1.00 0.00 O ATOM 183 CB VAL A 11 2.742 8.286 6.239 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.364 8.935 6.093 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.814 6.971 5.462 1.00 0.00 C ATOM 0 H VAL A 11 4.602 8.336 4.067 1.00 0.00 H new ATOM 0 HA VAL A 11 3.517 10.249 6.066 1.00 0.00 H new ATOM 0 HB VAL A 11 2.896 8.059 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.595 8.232 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.316 9.831 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.198 9.205 5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.016 6.307 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.698 7.171 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.779 6.496 5.639 1.00 0.00 H new ATOM 195 N ARG A 12 5.230 9.440 7.764 1.00 0.00 N ATOM 196 CA ARG A 12 6.429 9.273 8.567 1.00 0.00 C ATOM 197 C ARG A 12 6.094 8.568 9.882 1.00 0.00 C ATOM 198 O ARG A 12 5.314 9.081 10.684 1.00 0.00 O ATOM 199 CB ARG A 12 7.081 10.624 8.871 1.00 0.00 C ATOM 200 CG ARG A 12 8.233 10.465 9.865 1.00 0.00 C ATOM 201 CD ARG A 12 8.886 11.815 10.167 1.00 0.00 C ATOM 202 NE ARG A 12 9.564 11.766 11.482 1.00 0.00 N ATOM 203 CZ ARG A 12 10.062 12.840 12.111 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.962 14.052 11.548 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.660 12.701 13.302 1.00 0.00 N ATOM 0 H ARG A 12 4.462 9.914 8.238 1.00 0.00 H new ATOM 0 HA ARG A 12 7.129 8.665 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.451 11.069 7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.336 11.308 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.862 10.021 10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.977 9.780 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.605 12.063 9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.131 12.602 10.167 1.00 0.00 H new ATOM 0 HE ARG A 12 9.658 10.858 11.938 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.507 14.157 10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.341 14.869 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.736 11.778 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.039 13.518 13.781 1.00 0.00 H new ATOM 219 N PHE A 13 6.699 7.403 10.064 1.00 0.00 N ATOM 220 CA PHE A 13 6.473 6.623 11.269 1.00 0.00 C ATOM 221 C PHE A 13 7.742 6.551 12.121 1.00 0.00 C ATOM 222 O PHE A 13 8.851 6.516 11.588 1.00 0.00 O ATOM 223 CB PHE A 13 6.093 5.210 10.822 1.00 0.00 C ATOM 224 CG PHE A 13 4.837 5.151 9.951 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.822 6.031 10.159 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.735 4.216 8.967 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.656 5.976 9.350 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.569 4.161 8.159 1.00 0.00 C ATOM 229 CZ PHE A 13 2.554 5.042 8.367 1.00 0.00 C ATOM 0 H PHE A 13 7.345 6.981 9.397 1.00 0.00 H new ATOM 0 HA PHE A 13 5.689 7.085 11.870 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.927 4.778 10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.940 4.589 11.705 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.902 6.773 10.940 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.541 3.516 8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.850 6.676 9.516 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.488 3.419 7.379 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.667 5.000 7.752 1.00 0.00 H new ATOM 239 N ASN A 14 7.538 6.532 13.430 1.00 0.00 N ATOM 240 CA ASN A 14 8.651 6.465 14.360 1.00 0.00 C ATOM 241 C ASN A 14 8.926 5.002 14.715 1.00 0.00 C ATOM 242 O ASN A 14 8.168 4.388 15.464 1.00 0.00 O ATOM 243 CB ASN A 14 8.333 7.214 15.656 1.00 0.00 C ATOM 244 CG ASN A 14 9.284 8.395 15.855 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.487 8.294 15.675 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.681 9.518 16.234 1.00 0.00 N ATOM 0 H ASN A 14 6.617 6.562 13.868 1.00 0.00 H new ATOM 0 HA ASN A 14 9.517 6.923 13.882 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.304 7.572 15.630 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.412 6.532 16.503 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.230 10.363 16.392 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.670 9.534 16.367 1.00 0.00 H new ATOM 253 N ALA A 15 10.014 4.486 14.161 1.00 0.00 N ATOM 254 CA ALA A 15 10.398 3.107 14.410 1.00 0.00 C ATOM 255 C ALA A 15 11.562 2.733 13.490 1.00 0.00 C ATOM 256 O ALA A 15 11.966 3.525 12.640 1.00 0.00 O ATOM 257 CB ALA A 15 9.185 2.196 14.215 1.00 0.00 C ATOM 0 H ALA A 15 10.641 4.998 13.541 1.00 0.00 H new ATOM 0 HA ALA A 15 10.737 2.982 15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.473 1.162 14.402 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.397 2.485 14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.819 2.292 13.193 1.00 0.00 H new ATOM 263 N PRO A 16 12.083 1.494 13.697 1.00 0.00 N ATOM 264 CA PRO A 16 13.193 1.005 12.896 1.00 0.00 C ATOM 265 C PRO A 16 12.726 0.613 11.493 1.00 0.00 C ATOM 266 O PRO A 16 11.803 -0.187 11.344 1.00 0.00 O ATOM 267 CB PRO A 16 13.760 -0.165 13.683 1.00 0.00 C ATOM 268 CG PRO A 16 12.669 -0.581 14.656 1.00 0.00 C ATOM 269 CD PRO A 16 11.631 0.529 14.695 1.00 0.00 C ATOM 0 HA PRO A 16 13.958 1.763 12.729 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.027 -0.988 13.021 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.667 0.124 14.214 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.213 -1.519 14.340 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.086 -0.748 15.649 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.637 0.150 14.458 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.572 0.981 15.685 1.00 0.00 H new ATOM 277 N ILE A 17 13.384 1.194 10.501 1.00 0.00 N ATOM 278 CA ILE A 17 13.048 0.914 9.115 1.00 0.00 C ATOM 279 C ILE A 17 13.011 -0.600 8.899 1.00 0.00 C ATOM 280 O ILE A 17 12.295 -1.089 8.026 1.00 0.00 O ATOM 281 CB ILE A 17 14.005 1.647 8.174 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.637 1.393 6.710 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.459 1.274 8.472 1.00 0.00 C ATOM 284 CD1 ILE A 17 14.133 2.529 5.815 1.00 0.00 C ATOM 0 H ILE A 17 14.148 1.857 10.629 1.00 0.00 H new ATOM 0 HA ILE A 17 12.054 1.293 8.880 1.00 0.00 H new ATOM 0 HB ILE A 17 13.904 2.718 8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.072 0.449 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.556 1.296 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.119 1.809 7.789 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.701 1.547 9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.594 0.200 8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.858 2.323 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.677 3.467 6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.217 2.607 5.894 1.00 0.00 H new ATOM 296 N GLU A 18 13.791 -1.300 9.709 1.00 0.00 N ATOM 297 CA GLU A 18 13.856 -2.749 9.617 1.00 0.00 C ATOM 298 C GLU A 18 12.479 -3.360 9.879 1.00 0.00 C ATOM 299 O GLU A 18 12.050 -4.263 9.163 1.00 0.00 O ATOM 300 CB GLU A 18 14.899 -3.313 10.584 1.00 0.00 C ATOM 301 CG GLU A 18 15.797 -4.336 9.887 1.00 0.00 C ATOM 302 CD GLU A 18 16.214 -5.448 10.851 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.333 -6.269 11.185 1.00 0.00 O ATOM 304 OE2 GLU A 18 17.404 -5.452 11.233 1.00 0.00 O ATOM 0 H GLU A 18 14.383 -0.891 10.432 1.00 0.00 H new ATOM 0 HA GLU A 18 14.164 -3.016 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.508 -2.501 10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.399 -3.781 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.270 -4.767 9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 18 16.684 -3.839 9.495 1.00 0.00 H new ATOM 311 N LYS A 19 11.823 -2.843 10.908 1.00 0.00 N ATOM 312 CA LYS A 19 10.502 -3.327 11.273 1.00 0.00 C ATOM 313 C LYS A 19 9.511 -2.981 10.160 1.00 0.00 C ATOM 314 O LYS A 19 8.856 -3.866 9.611 1.00 0.00 O ATOM 315 CB LYS A 19 10.096 -2.789 12.647 1.00 0.00 C ATOM 316 CG LYS A 19 9.018 -3.670 13.283 1.00 0.00 C ATOM 317 CD LYS A 19 8.818 -3.312 14.757 1.00 0.00 C ATOM 318 CE LYS A 19 7.976 -4.372 15.469 1.00 0.00 C ATOM 319 NZ LYS A 19 8.722 -4.946 16.611 1.00 0.00 N ATOM 0 H LYS A 19 12.182 -2.094 11.500 1.00 0.00 H new ATOM 0 HA LYS A 19 10.507 -4.413 11.369 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.969 -2.749 13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.725 -1.769 12.547 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.078 -3.547 12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.301 -4.719 13.195 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.787 -3.222 15.248 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.329 -2.341 14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.045 -3.929 15.821 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.707 -5.163 14.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.136 -5.664 17.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.599 -5.387 16.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.956 -4.191 17.287 1.00 0.00 H new ATOM 333 N VAL A 20 9.433 -1.693 9.860 1.00 0.00 N ATOM 334 CA VAL A 20 8.533 -1.220 8.822 1.00 0.00 C ATOM 335 C VAL A 20 8.839 -1.953 7.514 1.00 0.00 C ATOM 336 O VAL A 20 7.939 -2.204 6.714 1.00 0.00 O ATOM 337 CB VAL A 20 8.637 0.301 8.693 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.491 0.859 7.846 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.677 0.967 10.069 1.00 0.00 C ATOM 0 H VAL A 20 9.978 -0.962 10.317 1.00 0.00 H new ATOM 0 HA VAL A 20 7.498 -1.441 9.084 1.00 0.00 H new ATOM 0 HB VAL A 20 9.573 0.531 8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.589 1.942 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.529 0.420 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.538 0.613 8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.751 2.048 9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.767 0.725 10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.542 0.604 10.624 1.00 0.00 H new ATOM 349 N TRP A 21 10.112 -2.276 7.338 1.00 0.00 N ATOM 350 CA TRP A 21 10.547 -2.976 6.141 1.00 0.00 C ATOM 351 C TRP A 21 10.070 -4.426 6.242 1.00 0.00 C ATOM 352 O TRP A 21 9.734 -5.044 5.233 1.00 0.00 O ATOM 353 CB TRP A 21 12.061 -2.856 5.957 1.00 0.00 C ATOM 354 CG TRP A 21 12.611 -3.669 4.783 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.597 -4.577 4.799 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.164 -3.611 3.412 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.817 -5.106 3.543 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.918 -4.500 2.673 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.156 -2.833 2.816 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.743 -4.695 1.298 1.00 0.00 C ATOM 361 CZ3 TRP A 21 10.994 -3.040 1.441 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.744 -3.931 0.683 1.00 0.00 C ATOM 0 H TRP A 21 10.856 -2.066 8.004 1.00 0.00 H new ATOM 0 HA TRP A 21 10.109 -2.527 5.250 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.317 -1.807 5.811 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.555 -3.180 6.873 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.150 -4.859 5.683 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.512 -5.812 3.298 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.554 -2.131 3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.346 -5.397 0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.232 -2.467 0.933 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.557 -4.034 -0.376 1.00 0.00 H new ATOM 373 N GLU A 22 10.056 -4.928 7.468 1.00 0.00 N ATOM 374 CA GLU A 22 9.626 -6.294 7.713 1.00 0.00 C ATOM 375 C GLU A 22 8.100 -6.388 7.658 1.00 0.00 C ATOM 376 O GLU A 22 7.550 -7.454 7.386 1.00 0.00 O ATOM 377 CB GLU A 22 10.159 -6.804 9.053 1.00 0.00 C ATOM 378 CG GLU A 22 11.075 -8.013 8.855 1.00 0.00 C ATOM 379 CD GLU A 22 11.243 -8.795 10.160 1.00 0.00 C ATOM 380 OE1 GLU A 22 11.541 -8.138 11.180 1.00 0.00 O ATOM 381 OE2 GLU A 22 11.069 -10.031 10.107 1.00 0.00 O ATOM 0 H GLU A 22 10.336 -4.413 8.303 1.00 0.00 H new ATOM 0 HA GLU A 22 10.038 -6.930 6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.706 -6.008 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.325 -7.077 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.660 -8.666 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.050 -7.680 8.498 1.00 0.00 H new ATOM 388 N ALA A 23 7.460 -5.258 7.921 1.00 0.00 N ATOM 389 CA ALA A 23 6.008 -5.200 7.905 1.00 0.00 C ATOM 390 C ALA A 23 5.525 -5.017 6.465 1.00 0.00 C ATOM 391 O ALA A 23 4.332 -5.132 6.187 1.00 0.00 O ATOM 392 CB ALA A 23 5.532 -4.075 8.827 1.00 0.00 C ATOM 0 H ALA A 23 7.920 -4.376 8.146 1.00 0.00 H new ATOM 0 HA ALA A 23 5.582 -6.131 8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.443 -4.031 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.876 -4.267 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.937 -3.124 8.480 1.00 0.00 H new ATOM 398 N VAL A 24 6.477 -4.736 5.587 1.00 0.00 N ATOM 399 CA VAL A 24 6.163 -4.537 4.182 1.00 0.00 C ATOM 400 C VAL A 24 6.916 -5.572 3.344 1.00 0.00 C ATOM 401 O VAL A 24 7.046 -5.418 2.131 1.00 0.00 O ATOM 402 CB VAL A 24 6.477 -3.096 3.775 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.755 -2.100 4.685 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.986 -2.843 3.774 1.00 0.00 C ATOM 0 H VAL A 24 7.465 -4.641 5.821 1.00 0.00 H new ATOM 0 HA VAL A 24 5.098 -4.687 4.004 1.00 0.00 H new ATOM 0 HB VAL A 24 6.112 -2.948 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.995 -1.083 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.679 -2.257 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.076 -2.250 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.182 -1.811 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.385 -3.019 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.468 -3.518 3.067 1.00 0.00 H new ATOM 414 N SER A 25 7.393 -6.604 4.025 1.00 0.00 N ATOM 415 CA SER A 25 8.129 -7.665 3.358 1.00 0.00 C ATOM 416 C SER A 25 7.362 -8.984 3.468 1.00 0.00 C ATOM 417 O SER A 25 7.371 -9.790 2.539 1.00 0.00 O ATOM 418 CB SER A 25 9.532 -7.817 3.950 1.00 0.00 C ATOM 419 OG SER A 25 9.496 -8.248 5.307 1.00 0.00 O ATOM 0 H SER A 25 7.284 -6.728 5.032 1.00 0.00 H new ATOM 0 HA SER A 25 8.233 -7.400 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.100 -8.534 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.057 -6.864 3.886 1.00 0.00 H new ATOM 0 HG SER A 25 10.362 -8.636 5.550 1.00 0.00 H new ATOM 425 N THR A 26 6.715 -9.162 4.611 1.00 0.00 N ATOM 426 CA THR A 26 5.944 -10.369 4.854 1.00 0.00 C ATOM 427 C THR A 26 4.465 -10.128 4.547 1.00 0.00 C ATOM 428 O THR A 26 4.087 -9.043 4.107 1.00 0.00 O ATOM 429 CB THR A 26 6.201 -10.813 6.295 1.00 0.00 C ATOM 430 OG1 THR A 26 5.403 -9.929 7.078 1.00 0.00 O ATOM 431 CG2 THR A 26 7.633 -10.523 6.750 1.00 0.00 C ATOM 0 H THR A 26 6.709 -8.490 5.379 1.00 0.00 H new ATOM 0 HA THR A 26 6.254 -11.176 4.190 1.00 0.00 H new ATOM 0 HB THR A 26 5.999 -11.880 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.904 -9.106 7.255 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.762 -10.857 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.334 -11.053 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.824 -9.452 6.690 1.00 0.00 H new ATOM 439 N SER A 27 3.667 -11.158 4.790 1.00 0.00 N ATOM 440 CA SER A 27 2.238 -11.071 4.545 1.00 0.00 C ATOM 441 C SER A 27 1.505 -10.723 5.842 1.00 0.00 C ATOM 442 O SER A 27 0.579 -9.913 5.838 1.00 0.00 O ATOM 443 CB SER A 27 1.698 -12.380 3.966 1.00 0.00 C ATOM 444 OG SER A 27 2.732 -13.178 3.396 1.00 0.00 O ATOM 0 H SER A 27 3.983 -12.057 5.154 1.00 0.00 H new ATOM 0 HA SER A 27 2.064 -10.282 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.196 -12.944 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.950 -12.158 3.205 1.00 0.00 H new ATOM 0 HG SER A 27 3.301 -12.619 2.827 1.00 0.00 H new ATOM 450 N GLU A 28 1.947 -11.351 6.922 1.00 0.00 N ATOM 451 CA GLU A 28 1.344 -11.118 8.223 1.00 0.00 C ATOM 452 C GLU A 28 1.469 -9.642 8.609 1.00 0.00 C ATOM 453 O GLU A 28 0.550 -9.071 9.194 1.00 0.00 O ATOM 454 CB GLU A 28 1.974 -12.018 9.288 1.00 0.00 C ATOM 455 CG GLU A 28 0.926 -12.936 9.920 1.00 0.00 C ATOM 456 CD GLU A 28 0.230 -12.246 11.095 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.907 -12.068 12.131 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.964 -11.913 10.932 1.00 0.00 O ATOM 0 H GLU A 28 2.716 -12.021 6.922 1.00 0.00 H new ATOM 0 HA GLU A 28 0.285 -11.369 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.766 -12.618 8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.438 -11.404 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.187 -13.220 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.402 -13.855 10.263 1.00 0.00 H new ATOM 465 N GLY A 29 2.612 -9.068 8.264 1.00 0.00 N ATOM 466 CA GLY A 29 2.868 -7.670 8.567 1.00 0.00 C ATOM 467 C GLY A 29 2.071 -6.753 7.638 1.00 0.00 C ATOM 468 O GLY A 29 1.565 -5.716 8.066 1.00 0.00 O ATOM 0 H GLY A 29 3.371 -9.545 7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.601 -7.464 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.933 -7.461 8.464 1.00 0.00 H new ATOM 472 N LEU A 30 1.982 -7.168 6.382 1.00 0.00 N ATOM 473 CA LEU A 30 1.255 -6.396 5.389 1.00 0.00 C ATOM 474 C LEU A 30 -0.248 -6.545 5.635 1.00 0.00 C ATOM 475 O LEU A 30 -0.945 -5.556 5.860 1.00 0.00 O ATOM 476 CB LEU A 30 1.689 -6.795 3.977 1.00 0.00 C ATOM 477 CG LEU A 30 2.676 -5.850 3.287 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.939 -6.597 2.855 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.011 -5.123 2.117 1.00 0.00 C ATOM 0 H LEU A 30 2.401 -8.029 6.030 1.00 0.00 H new ATOM 0 HA LEU A 30 1.491 -5.336 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.138 -7.787 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.798 -6.877 3.354 1.00 0.00 H new ATOM 0 HG LEU A 30 2.982 -5.090 4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.623 -5.903 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.423 -7.030 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.671 -7.392 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.733 -4.458 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.658 -5.853 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.167 -4.539 2.484 1.00 0.00 H new ATOM 491 N ALA A 31 -0.704 -7.788 5.583 1.00 0.00 N ATOM 492 CA ALA A 31 -2.111 -8.078 5.797 1.00 0.00 C ATOM 493 C ALA A 31 -2.586 -7.371 7.068 1.00 0.00 C ATOM 494 O ALA A 31 -3.777 -7.110 7.229 1.00 0.00 O ATOM 495 CB ALA A 31 -2.316 -9.593 5.862 1.00 0.00 C ATOM 0 H ALA A 31 -0.124 -8.606 5.396 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.710 -7.703 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.372 -9.811 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.991 -10.045 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.731 -10.004 6.685 1.00 0.00 H new ATOM 501 N PHE A 32 -1.630 -7.082 7.938 1.00 0.00 N ATOM 502 CA PHE A 32 -1.935 -6.410 9.190 1.00 0.00 C ATOM 503 C PHE A 32 -2.562 -5.037 8.937 1.00 0.00 C ATOM 504 O PHE A 32 -3.192 -4.466 9.825 1.00 0.00 O ATOM 505 CB PHE A 32 -0.611 -6.224 9.933 1.00 0.00 C ATOM 506 CG PHE A 32 -0.692 -6.513 11.433 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.736 -6.036 12.162 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.280 -7.249 12.037 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.811 -6.304 13.554 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.204 -7.518 13.429 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.840 -7.040 14.158 1.00 0.00 C ATOM 0 H PHE A 32 -0.643 -7.301 7.801 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.645 -7.003 9.767 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.139 -6.878 9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.266 -5.200 9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.508 -5.453 11.682 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.109 -7.628 11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.639 -5.923 14.133 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.975 -8.102 13.909 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.898 -7.245 15.217 1.00 0.00 H new ATOM 521 N TRP A 33 -2.367 -4.548 7.721 1.00 0.00 N ATOM 522 CA TRP A 33 -2.905 -3.254 7.340 1.00 0.00 C ATOM 523 C TRP A 33 -3.444 -3.367 5.913 1.00 0.00 C ATOM 524 O TRP A 33 -4.577 -2.973 5.640 1.00 0.00 O ATOM 525 CB TRP A 33 -1.851 -2.155 7.496 1.00 0.00 C ATOM 526 CG TRP A 33 -0.598 -2.369 6.645 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.472 -3.125 6.928 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.326 -1.787 5.353 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.409 -3.073 5.917 1.00 0.00 N ATOM 530 CE2 TRP A 33 0.909 -2.233 4.929 1.00 0.00 C ATOM 531 CE3 TRP A 33 -1.098 -0.912 4.568 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.482 -1.858 3.707 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.511 -0.546 3.351 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.731 -0.987 2.909 1.00 0.00 C ATOM 0 H TRP A 33 -1.844 -5.025 6.987 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.724 -2.968 7.999 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.298 -1.197 7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.559 -2.092 8.544 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.586 -3.702 7.834 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.304 -3.561 5.898 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.067 -0.551 4.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.451 -2.221 3.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.062 0.126 2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.115 -0.659 1.954 1.00 0.00 H new ATOM 545 N PHE A 34 -2.607 -3.907 5.039 1.00 0.00 N ATOM 546 CA PHE A 34 -2.985 -4.077 3.647 1.00 0.00 C ATOM 547 C PHE A 34 -4.063 -5.153 3.499 1.00 0.00 C ATOM 548 O PHE A 34 -5.255 -4.852 3.546 1.00 0.00 O ATOM 549 CB PHE A 34 -1.730 -4.524 2.894 1.00 0.00 C ATOM 550 CG PHE A 34 -2.007 -5.073 1.493 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.859 -4.415 0.661 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.403 -6.219 1.080 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.116 -4.925 -0.639 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.660 -6.729 -0.220 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.512 -6.071 -1.052 1.00 0.00 C ATOM 0 H PHE A 34 -1.668 -4.233 5.269 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.385 -3.142 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.047 -3.678 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.221 -5.290 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.340 -3.505 0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.727 -6.742 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.792 -4.402 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.179 -7.639 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.709 -6.459 -2.041 1.00 0.00 H new ATOM 565 N MET A 35 -3.606 -6.384 3.324 1.00 0.00 N ATOM 566 CA MET A 35 -4.517 -7.506 3.170 1.00 0.00 C ATOM 567 C MET A 35 -3.754 -8.832 3.146 1.00 0.00 C ATOM 568 O MET A 35 -2.543 -8.852 2.928 1.00 0.00 O ATOM 569 CB MET A 35 -5.306 -7.347 1.869 1.00 0.00 C ATOM 570 CG MET A 35 -6.698 -6.772 2.139 1.00 0.00 C ATOM 571 SD MET A 35 -6.949 -5.297 1.166 1.00 0.00 S ATOM 572 CE MET A 35 -6.729 -5.966 -0.474 1.00 0.00 C ATOM 0 H MET A 35 -2.617 -6.629 3.285 1.00 0.00 H new ATOM 0 HA MET A 35 -5.199 -7.516 4.020 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.763 -6.691 1.188 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.398 -8.314 1.375 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.460 -7.512 1.895 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.806 -6.541 3.199 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.825 -5.550 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.639 -7.051 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.589 -5.706 -1.091 1.00 0.00 H new ATOM 582 N GLU A 36 -4.494 -9.907 3.372 1.00 0.00 N ATOM 583 CA GLU A 36 -3.903 -11.235 3.378 1.00 0.00 C ATOM 584 C GLU A 36 -3.229 -11.523 2.035 1.00 0.00 C ATOM 585 O GLU A 36 -3.792 -11.234 0.980 1.00 0.00 O ATOM 586 CB GLU A 36 -4.950 -12.300 3.706 1.00 0.00 C ATOM 587 CG GLU A 36 -5.383 -12.212 5.171 1.00 0.00 C ATOM 588 CD GLU A 36 -5.529 -13.606 5.785 1.00 0.00 C ATOM 589 OE1 GLU A 36 -4.565 -14.390 5.647 1.00 0.00 O ATOM 590 OE2 GLU A 36 -6.601 -13.856 6.377 1.00 0.00 O ATOM 0 H GLU A 36 -5.498 -9.886 3.552 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.142 -11.269 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.818 -12.173 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.542 -13.290 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.650 -11.637 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.331 -11.678 5.242 1.00 0.00 H new ATOM 597 N ASN A 37 -2.034 -12.089 2.118 1.00 0.00 N ATOM 598 CA ASN A 37 -1.278 -12.419 0.922 1.00 0.00 C ATOM 599 C ASN A 37 -0.208 -13.456 1.270 1.00 0.00 C ATOM 600 O ASN A 37 -0.135 -13.920 2.407 1.00 0.00 O ATOM 601 CB ASN A 37 -0.573 -11.184 0.357 1.00 0.00 C ATOM 602 CG ASN A 37 0.362 -10.563 1.397 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.570 -10.728 1.360 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.262 -9.842 2.323 1.00 0.00 N ATOM 0 H ASN A 37 -1.571 -12.327 2.995 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.975 -12.807 0.179 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.004 -11.460 -0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.314 -10.449 0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.274 -9.386 3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.277 -9.745 2.295 1.00 0.00 H new ATOM 611 N ASP A 38 0.595 -13.790 0.270 1.00 0.00 N ATOM 612 CA ASP A 38 1.657 -14.763 0.457 1.00 0.00 C ATOM 613 C ASP A 38 3.008 -14.094 0.196 1.00 0.00 C ATOM 614 O ASP A 38 4.029 -14.770 0.088 1.00 0.00 O ATOM 615 CB ASP A 38 1.512 -15.931 -0.521 1.00 0.00 C ATOM 616 CG ASP A 38 1.505 -17.318 0.125 1.00 0.00 C ATOM 617 OD1 ASP A 38 1.135 -17.387 1.317 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.870 -18.278 -0.588 1.00 0.00 O ATOM 0 H ASP A 38 0.531 -13.404 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 38 1.595 -15.137 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.586 -15.803 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.329 -15.886 -1.241 1.00 0.00 H new ATOM 623 N LEU A 39 2.969 -12.773 0.102 1.00 0.00 N ATOM 624 CA LEU A 39 4.178 -12.004 -0.144 1.00 0.00 C ATOM 625 C LEU A 39 5.295 -12.512 0.771 1.00 0.00 C ATOM 626 O LEU A 39 5.041 -12.893 1.913 1.00 0.00 O ATOM 627 CB LEU A 39 3.899 -10.507 -0.001 1.00 0.00 C ATOM 628 CG LEU A 39 4.988 -9.569 -0.525 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.616 -9.010 -1.900 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.287 -8.458 0.483 1.00 0.00 C ATOM 0 H LEU A 39 2.120 -12.215 0.192 1.00 0.00 H new ATOM 0 HA LEU A 39 4.517 -12.145 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.969 -10.279 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.735 -10.287 1.054 1.00 0.00 H new ATOM 0 HG LEU A 39 5.904 -10.146 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.407 -8.346 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.494 -9.832 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.682 -8.453 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.065 -7.806 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.383 -7.877 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.627 -8.899 1.420 1.00 0.00 H new ATOM 642 N LYS A 40 6.506 -12.500 0.235 1.00 0.00 N ATOM 643 CA LYS A 40 7.662 -12.954 0.989 1.00 0.00 C ATOM 644 C LYS A 40 8.892 -12.148 0.563 1.00 0.00 C ATOM 645 O LYS A 40 10.022 -12.612 0.706 1.00 0.00 O ATOM 646 CB LYS A 40 7.837 -14.466 0.843 1.00 0.00 C ATOM 647 CG LYS A 40 8.185 -15.111 2.186 1.00 0.00 C ATOM 648 CD LYS A 40 7.911 -16.616 2.160 1.00 0.00 C ATOM 649 CE LYS A 40 6.456 -16.914 2.527 1.00 0.00 C ATOM 650 NZ LYS A 40 6.310 -18.319 2.970 1.00 0.00 N ATOM 0 H LYS A 40 6.712 -12.183 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 40 7.516 -12.775 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.920 -14.906 0.452 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.625 -14.676 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.235 -14.933 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.600 -14.645 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.128 -17.012 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.577 -17.123 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.130 -16.241 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.813 -16.729 1.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.316 -18.504 3.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.602 -18.957 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.909 -18.484 3.804 1.00 0.00 H new ATOM 664 N ALA A 41 8.629 -10.956 0.049 1.00 0.00 N ATOM 665 CA ALA A 41 9.700 -10.082 -0.399 1.00 0.00 C ATOM 666 C ALA A 41 10.682 -10.883 -1.257 1.00 0.00 C ATOM 667 O ALA A 41 11.796 -11.172 -0.825 1.00 0.00 O ATOM 668 CB ALA A 41 10.376 -9.440 0.815 1.00 0.00 C ATOM 0 H ALA A 41 7.690 -10.575 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 41 9.304 -9.276 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.180 -8.784 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.643 -8.859 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.788 -10.219 1.457 1.00 0.00 H new ATOM 674 N GLU A 42 10.231 -11.219 -2.457 1.00 0.00 N ATOM 675 CA GLU A 42 11.056 -11.981 -3.379 1.00 0.00 C ATOM 676 C GLU A 42 10.627 -11.710 -4.822 1.00 0.00 C ATOM 677 O GLU A 42 9.549 -12.129 -5.242 1.00 0.00 O ATOM 678 CB GLU A 42 10.996 -13.476 -3.061 1.00 0.00 C ATOM 679 CG GLU A 42 12.388 -14.108 -3.135 1.00 0.00 C ATOM 680 CD GLU A 42 12.489 -15.320 -2.207 1.00 0.00 C ATOM 681 OE1 GLU A 42 12.235 -15.132 -0.997 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.819 -16.408 -2.728 1.00 0.00 O ATOM 0 H GLU A 42 9.306 -10.978 -2.812 1.00 0.00 H new ATOM 0 HA GLU A 42 12.091 -11.659 -3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.578 -13.623 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.328 -13.975 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.600 -14.412 -4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.142 -13.370 -2.859 1.00 0.00 H new ATOM 689 N THR A 43 11.492 -11.010 -5.542 1.00 0.00 N ATOM 690 CA THR A 43 11.216 -10.679 -6.930 1.00 0.00 C ATOM 691 C THR A 43 10.894 -11.944 -7.727 1.00 0.00 C ATOM 692 O THR A 43 11.517 -12.985 -7.524 1.00 0.00 O ATOM 693 CB THR A 43 12.415 -9.904 -7.478 1.00 0.00 C ATOM 694 OG1 THR A 43 11.855 -9.061 -8.481 1.00 0.00 O ATOM 695 CG2 THR A 43 13.390 -10.800 -8.246 1.00 0.00 C ATOM 0 H THR A 43 12.384 -10.663 -5.190 1.00 0.00 H new ATOM 0 HA THR A 43 10.333 -10.045 -7.017 1.00 0.00 H new ATOM 0 HB THR A 43 12.939 -9.418 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.564 -8.521 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.223 -10.200 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.768 -11.578 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.874 -11.260 -9.089 1.00 0.00 H new ATOM 703 N GLY A 44 9.921 -11.814 -8.616 1.00 0.00 N ATOM 704 CA GLY A 44 9.509 -12.934 -9.445 1.00 0.00 C ATOM 705 C GLY A 44 8.639 -13.911 -8.652 1.00 0.00 C ATOM 706 O GLY A 44 8.352 -15.012 -9.120 1.00 0.00 O ATOM 0 H GLY A 44 9.405 -10.949 -8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.955 -12.567 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.389 -13.452 -9.827 1.00 0.00 H new ATOM 710 N HIS A 45 8.244 -13.474 -7.465 1.00 0.00 N ATOM 711 CA HIS A 45 7.413 -14.296 -6.603 1.00 0.00 C ATOM 712 C HIS A 45 5.949 -14.174 -7.032 1.00 0.00 C ATOM 713 O HIS A 45 5.482 -13.082 -7.351 1.00 0.00 O ATOM 714 CB HIS A 45 7.632 -13.936 -5.133 1.00 0.00 C ATOM 715 CG HIS A 45 6.744 -14.695 -4.175 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.439 -16.035 -4.338 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.101 -14.288 -3.043 1.00 0.00 C ATOM 718 CE1 HIS A 45 5.646 -16.407 -3.344 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.438 -15.323 -2.543 1.00 0.00 N ATOM 0 H HIS A 45 8.485 -12.561 -7.080 1.00 0.00 H new ATOM 0 HA HIS A 45 7.699 -15.343 -6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.674 -14.126 -4.874 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.461 -12.868 -5.002 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.127 -13.293 -2.625 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.236 -17.395 -3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.867 -15.310 -1.698 1.00 0.00 H new ATOM 727 N HIS A 46 5.267 -15.309 -7.026 1.00 0.00 N ATOM 728 CA HIS A 46 3.866 -15.343 -7.410 1.00 0.00 C ATOM 729 C HIS A 46 3.007 -15.686 -6.192 1.00 0.00 C ATOM 730 O HIS A 46 2.966 -16.838 -5.761 1.00 0.00 O ATOM 731 CB HIS A 46 3.646 -16.305 -8.580 1.00 0.00 C ATOM 732 CG HIS A 46 4.418 -17.598 -8.465 1.00 0.00 C ATOM 733 ND1 HIS A 46 5.565 -17.854 -9.195 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.195 -18.703 -7.697 1.00 0.00 C ATOM 735 CE1 HIS A 46 6.004 -19.062 -8.874 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.153 -19.587 -7.946 1.00 0.00 N ATOM 0 H HIS A 46 5.658 -16.213 -6.761 1.00 0.00 H new ATOM 0 HA HIS A 46 3.559 -14.358 -7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.583 -16.534 -8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.930 -15.805 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.378 -18.836 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.882 -19.546 -9.276 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.239 -20.507 -7.515 1.00 0.00 H new ATOM 744 N PHE A 47 2.343 -14.665 -5.670 1.00 0.00 N ATOM 745 CA PHE A 47 1.487 -14.844 -4.509 1.00 0.00 C ATOM 746 C PHE A 47 0.056 -14.393 -4.807 1.00 0.00 C ATOM 747 O PHE A 47 -0.155 -13.456 -5.576 1.00 0.00 O ATOM 748 CB PHE A 47 2.062 -13.972 -3.391 1.00 0.00 C ATOM 749 CG PHE A 47 1.655 -12.500 -3.479 1.00 0.00 C ATOM 750 CD1 PHE A 47 0.483 -12.084 -2.928 1.00 0.00 C ATOM 751 CD2 PHE A 47 2.465 -11.607 -4.108 1.00 0.00 C ATOM 752 CE1 PHE A 47 0.106 -10.718 -3.009 1.00 0.00 C ATOM 753 CE2 PHE A 47 2.087 -10.240 -4.190 1.00 0.00 C ATOM 754 CZ PHE A 47 0.916 -9.825 -3.639 1.00 0.00 C ATOM 0 H PHE A 47 2.380 -13.711 -6.029 1.00 0.00 H new ATOM 0 HA PHE A 47 1.456 -15.897 -4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.738 -14.371 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.150 -14.040 -3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.161 -12.793 -2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.396 -11.937 -4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.824 -10.388 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.730 -9.531 -4.690 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.628 -8.786 -3.701 1.00 0.00 H new ATOM 764 N HIS A 48 -0.889 -15.080 -4.184 1.00 0.00 N ATOM 765 CA HIS A 48 -2.294 -14.762 -4.373 1.00 0.00 C ATOM 766 C HIS A 48 -2.765 -13.832 -3.253 1.00 0.00 C ATOM 767 O HIS A 48 -2.157 -13.783 -2.185 1.00 0.00 O ATOM 768 CB HIS A 48 -3.132 -16.038 -4.475 1.00 0.00 C ATOM 769 CG HIS A 48 -3.753 -16.257 -5.834 1.00 0.00 C ATOM 770 ND1 HIS A 48 -3.115 -16.954 -6.846 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.959 -15.867 -6.336 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.911 -16.974 -7.905 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.053 -16.299 -7.588 1.00 0.00 N ATOM 0 H HIS A 48 -0.710 -15.856 -3.547 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.426 -14.234 -5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.503 -16.894 -4.232 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.924 -16.002 -3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.711 -15.302 -5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.694 -17.443 -8.853 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.848 -16.151 -8.210 1.00 0.00 H new ATOM 781 N LEU A 49 -3.844 -13.116 -3.535 1.00 0.00 N ATOM 782 CA LEU A 49 -4.403 -12.191 -2.565 1.00 0.00 C ATOM 783 C LEU A 49 -5.813 -12.647 -2.185 1.00 0.00 C ATOM 784 O LEU A 49 -6.592 -13.051 -3.047 1.00 0.00 O ATOM 785 CB LEU A 49 -4.343 -10.757 -3.096 1.00 0.00 C ATOM 786 CG LEU A 49 -4.763 -9.661 -2.115 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.631 -9.334 -1.140 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.255 -8.418 -2.860 1.00 0.00 C ATOM 0 H LEU A 49 -4.346 -13.158 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.810 -12.193 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.323 -10.554 -3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.979 -10.690 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.599 -10.034 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.956 -8.552 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.369 -10.228 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.760 -8.989 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.547 -7.654 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.455 -8.033 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.113 -8.681 -3.479 1.00 0.00 H new ATOM 800 N GLN A 50 -6.099 -12.568 -0.894 1.00 0.00 N ATOM 801 CA GLN A 50 -7.401 -12.968 -0.389 1.00 0.00 C ATOM 802 C GLN A 50 -8.243 -11.734 -0.056 1.00 0.00 C ATOM 803 O GLN A 50 -8.423 -11.399 1.114 1.00 0.00 O ATOM 804 CB GLN A 50 -7.260 -13.881 0.830 1.00 0.00 C ATOM 805 CG GLN A 50 -6.426 -15.119 0.494 1.00 0.00 C ATOM 806 CD GLN A 50 -7.272 -16.391 0.582 1.00 0.00 C ATOM 807 OE1 GLN A 50 -7.445 -16.980 1.636 1.00 0.00 O ATOM 808 NE2 GLN A 50 -7.788 -16.779 -0.580 1.00 0.00 N ATOM 0 H GLN A 50 -5.450 -12.232 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.913 -13.534 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.791 -13.333 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.247 -14.186 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.013 -15.022 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.582 -15.191 1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.603 -16.239 -1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.369 -17.616 -0.626 1.00 0.00 H new ATOM 817 N SER A 51 -8.736 -11.093 -1.105 1.00 0.00 N ATOM 818 CA SER A 51 -9.554 -9.904 -0.938 1.00 0.00 C ATOM 819 C SER A 51 -11.027 -10.297 -0.805 1.00 0.00 C ATOM 820 O SER A 51 -11.418 -11.396 -1.194 1.00 0.00 O ATOM 821 CB SER A 51 -9.367 -8.937 -2.109 1.00 0.00 C ATOM 822 OG SER A 51 -10.193 -9.277 -3.219 1.00 0.00 O ATOM 0 H SER A 51 -8.585 -11.374 -2.074 1.00 0.00 H new ATOM 0 HA SER A 51 -9.236 -9.396 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.598 -7.923 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.322 -8.942 -2.420 1.00 0.00 H new ATOM 0 HG SER A 51 -10.107 -10.234 -3.410 1.00 0.00 H new ATOM 828 N PRO A 52 -11.825 -9.352 -0.238 1.00 0.00 N ATOM 829 CA PRO A 52 -13.246 -9.588 -0.049 1.00 0.00 C ATOM 830 C PRO A 52 -14.001 -9.481 -1.375 1.00 0.00 C ATOM 831 O PRO A 52 -15.042 -10.111 -1.553 1.00 0.00 O ATOM 832 CB PRO A 52 -13.685 -8.550 0.971 1.00 0.00 C ATOM 833 CG PRO A 52 -12.606 -7.479 0.966 1.00 0.00 C ATOM 834 CD PRO A 52 -11.397 -8.039 0.235 1.00 0.00 C ATOM 0 HA PRO A 52 -13.461 -10.595 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.655 -8.129 0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.790 -8.995 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.966 -6.576 0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.340 -7.200 1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.103 -7.396 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.535 -8.118 0.898 1.00 0.00 H new ATOM 842 N PHE A 53 -13.448 -8.677 -2.271 1.00 0.00 N ATOM 843 CA PHE A 53 -14.056 -8.479 -3.575 1.00 0.00 C ATOM 844 C PHE A 53 -13.573 -9.535 -4.572 1.00 0.00 C ATOM 845 O PHE A 53 -13.316 -9.225 -5.734 1.00 0.00 O ATOM 846 CB PHE A 53 -13.623 -7.096 -4.066 1.00 0.00 C ATOM 847 CG PHE A 53 -14.489 -5.950 -3.539 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.703 -5.701 -4.100 1.00 0.00 C ATOM 849 CD2 PHE A 53 -14.045 -5.179 -2.510 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.506 -4.638 -3.611 1.00 0.00 C ATOM 851 CE2 PHE A 53 -14.848 -4.116 -2.021 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.062 -3.867 -2.582 1.00 0.00 C ATOM 0 H PHE A 53 -12.585 -8.155 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.140 -8.562 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.589 -6.923 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.647 -7.085 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.056 -6.312 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -13.081 -5.376 -2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.470 -4.441 -4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -14.495 -3.505 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.673 -3.058 -2.211 1.00 0.00 H new ATOM 862 N GLY A 54 -13.464 -10.760 -4.081 1.00 0.00 N ATOM 863 CA GLY A 54 -13.016 -11.864 -4.913 1.00 0.00 C ATOM 864 C GLY A 54 -11.496 -12.022 -4.843 1.00 0.00 C ATOM 865 O GLY A 54 -10.770 -11.035 -4.737 1.00 0.00 O ATOM 0 H GLY A 54 -13.678 -11.013 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.496 -12.787 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.320 -11.693 -5.946 1.00 0.00 H new ATOM 869 N PRO A 55 -11.048 -13.304 -4.907 1.00 0.00 N ATOM 870 CA PRO A 55 -9.628 -13.605 -4.852 1.00 0.00 C ATOM 871 C PRO A 55 -8.943 -13.263 -6.177 1.00 0.00 C ATOM 872 O PRO A 55 -9.468 -13.567 -7.247 1.00 0.00 O ATOM 873 CB PRO A 55 -9.551 -15.083 -4.508 1.00 0.00 C ATOM 874 CG PRO A 55 -10.918 -15.660 -4.840 1.00 0.00 C ATOM 875 CD PRO A 55 -11.879 -14.498 -5.033 1.00 0.00 C ATOM 0 HA PRO A 55 -9.101 -13.009 -4.107 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.768 -15.578 -5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.312 -15.227 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.867 -16.267 -5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.263 -16.311 -4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.363 -14.542 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.671 -14.510 -4.284 1.00 0.00 H new ATOM 883 N SER A 56 -7.782 -12.635 -6.062 1.00 0.00 N ATOM 884 CA SER A 56 -7.020 -12.249 -7.237 1.00 0.00 C ATOM 885 C SER A 56 -5.538 -12.566 -7.028 1.00 0.00 C ATOM 886 O SER A 56 -5.029 -12.461 -5.914 1.00 0.00 O ATOM 887 CB SER A 56 -7.206 -10.763 -7.550 1.00 0.00 C ATOM 888 OG SER A 56 -8.032 -10.557 -8.694 1.00 0.00 O ATOM 0 H SER A 56 -7.350 -12.384 -5.173 1.00 0.00 H new ATOM 0 HA SER A 56 -7.390 -12.821 -8.088 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.649 -10.264 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.232 -10.303 -7.719 1.00 0.00 H new ATOM 0 HG SER A 56 -8.128 -9.596 -8.860 1.00 0.00 H new ATOM 894 N PRO A 57 -4.871 -12.958 -8.146 1.00 0.00 N ATOM 895 CA PRO A 57 -3.457 -13.291 -8.096 1.00 0.00 C ATOM 896 C PRO A 57 -2.600 -12.028 -7.985 1.00 0.00 C ATOM 897 O PRO A 57 -3.084 -10.922 -8.222 1.00 0.00 O ATOM 898 CB PRO A 57 -3.193 -14.078 -9.370 1.00 0.00 C ATOM 899 CG PRO A 57 -4.349 -13.759 -10.304 1.00 0.00 C ATOM 900 CD PRO A 57 -5.442 -13.093 -9.483 1.00 0.00 C ATOM 0 HA PRO A 57 -3.194 -13.881 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.240 -13.792 -9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.140 -15.147 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.020 -13.100 -11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.724 -14.669 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.713 -12.122 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.349 -13.697 -9.467 1.00 0.00 H new ATOM 908 N CYS A 58 -1.342 -12.236 -7.624 1.00 0.00 N ATOM 909 CA CYS A 58 -0.413 -11.128 -7.478 1.00 0.00 C ATOM 910 C CYS A 58 0.996 -11.640 -7.780 1.00 0.00 C ATOM 911 O CYS A 58 1.266 -12.834 -7.657 1.00 0.00 O ATOM 912 CB CYS A 58 -0.504 -10.492 -6.089 1.00 0.00 C ATOM 913 SG CYS A 58 -2.173 -9.787 -5.832 1.00 0.00 S ATOM 0 H CYS A 58 -0.945 -13.155 -7.428 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.671 -10.339 -8.184 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.294 -11.239 -5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.249 -9.711 -5.988 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.907 -10.017 -6.880 1.00 0.00 H new ATOM 919 N GLN A 59 1.858 -10.712 -8.170 1.00 0.00 N ATOM 920 CA GLN A 59 3.233 -11.055 -8.490 1.00 0.00 C ATOM 921 C GLN A 59 4.153 -9.861 -8.226 1.00 0.00 C ATOM 922 O GLN A 59 3.833 -8.732 -8.594 1.00 0.00 O ATOM 923 CB GLN A 59 3.356 -11.531 -9.939 1.00 0.00 C ATOM 924 CG GLN A 59 4.809 -11.860 -10.287 1.00 0.00 C ATOM 925 CD GLN A 59 4.929 -13.274 -10.859 1.00 0.00 C ATOM 926 OE1 GLN A 59 5.310 -14.215 -10.183 1.00 0.00 O ATOM 927 NE2 GLN A 59 4.584 -13.369 -12.140 1.00 0.00 N ATOM 0 H GLN A 59 1.630 -9.723 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 59 3.542 -11.877 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.734 -12.413 -10.090 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.983 -10.759 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.186 -11.138 -11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.429 -11.771 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.273 -12.540 -12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.630 -14.270 -12.615 1.00 0.00 H new ATOM 936 N VAL A 60 5.278 -10.152 -7.588 1.00 0.00 N ATOM 937 CA VAL A 60 6.246 -9.117 -7.270 1.00 0.00 C ATOM 938 C VAL A 60 7.111 -8.837 -8.501 1.00 0.00 C ATOM 939 O VAL A 60 7.616 -9.764 -9.133 1.00 0.00 O ATOM 940 CB VAL A 60 7.066 -9.526 -6.045 1.00 0.00 C ATOM 941 CG1 VAL A 60 8.016 -8.404 -5.621 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.154 -9.938 -4.887 1.00 0.00 C ATOM 0 H VAL A 60 5.540 -11.089 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 60 5.739 -8.188 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 60 7.670 -10.391 -6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.587 -8.721 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.700 -8.178 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.439 -7.513 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.762 -10.224 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.512 -9.101 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.537 -10.783 -5.193 1.00 0.00 H new ATOM 952 N THR A 61 7.255 -7.556 -8.805 1.00 0.00 N ATOM 953 CA THR A 61 8.050 -7.143 -9.949 1.00 0.00 C ATOM 954 C THR A 61 9.433 -6.672 -9.495 1.00 0.00 C ATOM 955 O THR A 61 10.400 -6.753 -10.252 1.00 0.00 O ATOM 956 CB THR A 61 7.264 -6.073 -10.709 1.00 0.00 C ATOM 957 OG1 THR A 61 7.321 -4.930 -9.860 1.00 0.00 O ATOM 958 CG2 THR A 61 5.771 -6.397 -10.799 1.00 0.00 C ATOM 0 H THR A 61 6.835 -6.790 -8.279 1.00 0.00 H new ATOM 0 HA THR A 61 8.231 -7.977 -10.627 1.00 0.00 H new ATOM 0 HB THR A 61 7.674 -5.967 -11.713 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.837 -4.188 -10.278 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.260 -5.606 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.635 -7.346 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.353 -6.470 -9.795 1.00 0.00 H new ATOM 966 N ASP A 62 9.485 -6.191 -8.262 1.00 0.00 N ATOM 967 CA ASP A 62 10.734 -5.708 -7.699 1.00 0.00 C ATOM 968 C ASP A 62 10.617 -5.664 -6.174 1.00 0.00 C ATOM 969 O ASP A 62 9.598 -5.232 -5.638 1.00 0.00 O ATOM 970 CB ASP A 62 11.049 -4.293 -8.190 1.00 0.00 C ATOM 971 CG ASP A 62 12.306 -4.174 -9.053 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.257 -4.669 -10.199 1.00 0.00 O ATOM 973 OD2 ASP A 62 13.288 -3.589 -8.547 1.00 0.00 O ATOM 0 H ASP A 62 8.682 -6.125 -7.637 1.00 0.00 H new ATOM 0 HA ASP A 62 11.529 -6.384 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.197 -3.925 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.158 -3.640 -7.324 1.00 0.00 H new ATOM 978 N VAL A 63 11.676 -6.117 -5.518 1.00 0.00 N ATOM 979 CA VAL A 63 11.705 -6.135 -4.065 1.00 0.00 C ATOM 980 C VAL A 63 13.139 -6.382 -3.591 1.00 0.00 C ATOM 981 O VAL A 63 13.649 -7.496 -3.699 1.00 0.00 O ATOM 982 CB VAL A 63 10.713 -7.173 -3.535 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.995 -8.554 -4.128 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.733 -7.218 -2.006 1.00 0.00 C ATOM 0 H VAL A 63 12.520 -6.474 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 63 11.392 -5.171 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 63 9.713 -6.872 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.276 -9.273 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.906 -8.509 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.004 -8.866 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.019 -7.963 -1.655 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.733 -7.483 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.461 -6.240 -1.610 1.00 0.00 H new ATOM 994 N GLU A 64 13.748 -5.324 -3.077 1.00 0.00 N ATOM 995 CA GLU A 64 15.113 -5.412 -2.586 1.00 0.00 C ATOM 996 C GLU A 64 15.370 -4.329 -1.536 1.00 0.00 C ATOM 997 O GLU A 64 15.521 -3.156 -1.873 1.00 0.00 O ATOM 998 CB GLU A 64 16.117 -5.310 -3.736 1.00 0.00 C ATOM 999 CG GLU A 64 17.533 -5.636 -3.258 1.00 0.00 C ATOM 1000 CD GLU A 64 18.081 -6.873 -3.971 1.00 0.00 C ATOM 1001 OE1 GLU A 64 18.456 -6.727 -5.155 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.112 -7.938 -3.317 1.00 0.00 O ATOM 0 H GLU A 64 13.322 -4.401 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 64 15.247 -6.386 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.832 -5.995 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.094 -4.304 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.188 -4.785 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.527 -5.805 -2.181 1.00 0.00 H new ATOM 1009 N ARG A 65 15.411 -4.762 -0.284 1.00 0.00 N ATOM 1010 CA ARG A 65 15.647 -3.844 0.818 1.00 0.00 C ATOM 1011 C ARG A 65 14.601 -2.728 0.812 1.00 0.00 C ATOM 1012 O ARG A 65 13.867 -2.564 -0.162 1.00 0.00 O ATOM 1013 CB ARG A 65 17.043 -3.225 0.730 1.00 0.00 C ATOM 1014 CG ARG A 65 17.976 -3.824 1.785 1.00 0.00 C ATOM 1015 CD ARG A 65 18.895 -2.753 2.375 1.00 0.00 C ATOM 1016 NE ARG A 65 20.251 -2.875 1.794 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.309 -2.160 2.201 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.175 -1.269 3.192 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.502 -2.337 1.616 1.00 0.00 N ATOM 0 H ARG A 65 15.285 -5.736 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 65 15.572 -4.413 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.457 -3.393 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.976 -2.146 0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.386 -4.281 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.576 -4.617 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.490 -1.762 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.943 -2.860 3.459 1.00 0.00 H new ATOM 0 HE ARG A 65 20.389 -3.545 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.267 -1.134 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.981 -0.725 3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.604 -3.016 0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.307 -1.793 1.925 1.00 0.00 H new ATOM 1033 N PRO A 66 14.563 -1.969 1.940 1.00 0.00 N ATOM 1034 CA PRO A 66 13.619 -0.873 2.074 1.00 0.00 C ATOM 1035 C PRO A 66 14.055 0.332 1.236 1.00 0.00 C ATOM 1036 O PRO A 66 14.462 1.357 1.781 1.00 0.00 O ATOM 1037 CB PRO A 66 13.572 -0.574 3.563 1.00 0.00 C ATOM 1038 CG PRO A 66 14.828 -1.194 4.153 1.00 0.00 C ATOM 1039 CD PRO A 66 15.416 -2.134 3.113 1.00 0.00 C ATOM 0 HA PRO A 66 12.627 -1.125 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.544 0.500 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.677 -0.997 4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.548 -0.420 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.592 -1.737 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.452 -1.878 2.889 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.411 -3.166 3.464 1.00 0.00 H new ATOM 1047 N ILE A 67 13.955 0.168 -0.075 1.00 0.00 N ATOM 1048 CA ILE A 67 14.334 1.228 -0.992 1.00 0.00 C ATOM 1049 C ILE A 67 13.367 1.240 -2.178 1.00 0.00 C ATOM 1050 O ILE A 67 12.871 2.295 -2.569 1.00 0.00 O ATOM 1051 CB ILE A 67 15.802 1.088 -1.398 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.133 -0.360 -1.768 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.727 1.624 -0.303 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.462 -0.483 -3.257 1.00 0.00 C ATOM 0 H ILE A 67 13.617 -0.683 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 67 14.254 2.199 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 67 15.969 1.695 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.979 -0.706 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.288 -1.004 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.765 1.513 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.512 2.678 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.564 1.063 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.694 -1.521 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.605 -0.159 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 67 17.322 0.143 -3.492 1.00 0.00 H new ATOM 1066 N LYS A 68 13.129 0.054 -2.718 1.00 0.00 N ATOM 1067 CA LYS A 68 12.231 -0.086 -3.852 1.00 0.00 C ATOM 1068 C LYS A 68 11.447 -1.393 -3.717 1.00 0.00 C ATOM 1069 O LYS A 68 12.035 -2.473 -3.677 1.00 0.00 O ATOM 1070 CB LYS A 68 13.004 0.035 -5.166 1.00 0.00 C ATOM 1071 CG LYS A 68 12.084 -0.196 -6.367 1.00 0.00 C ATOM 1072 CD LYS A 68 12.235 0.925 -7.397 1.00 0.00 C ATOM 1073 CE LYS A 68 11.131 0.850 -8.454 1.00 0.00 C ATOM 1074 NZ LYS A 68 11.302 1.923 -9.458 1.00 0.00 N ATOM 0 H LYS A 68 13.543 -0.819 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 68 11.502 0.724 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.457 1.024 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.817 -0.690 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.319 -1.154 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.048 -0.249 -6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.198 1.892 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.210 0.853 -7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.155 -0.123 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.155 0.942 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.545 1.858 -10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.257 2.849 -8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.225 1.817 -9.926 1.00 0.00 H new ATOM 1088 N LEU A 69 10.131 -1.252 -3.652 1.00 0.00 N ATOM 1089 CA LEU A 69 9.260 -2.408 -3.523 1.00 0.00 C ATOM 1090 C LEU A 69 7.994 -2.183 -4.352 1.00 0.00 C ATOM 1091 O LEU A 69 7.302 -1.182 -4.174 1.00 0.00 O ATOM 1092 CB LEU A 69 8.984 -2.710 -2.048 1.00 0.00 C ATOM 1093 CG LEU A 69 8.050 -3.889 -1.768 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.762 -5.221 -2.009 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.462 -3.799 -0.359 1.00 0.00 C ATOM 0 H LEU A 69 9.647 -0.355 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 69 9.748 -3.298 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.936 -2.901 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.558 -1.818 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 69 7.216 -3.839 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.076 -6.043 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.091 -5.275 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.627 -5.296 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.802 -4.649 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.269 -3.811 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.895 -2.873 -0.260 1.00 0.00 H new ATOM 1107 N SER A 70 7.730 -3.130 -5.240 1.00 0.00 N ATOM 1108 CA SER A 70 6.559 -3.047 -6.096 1.00 0.00 C ATOM 1109 C SER A 70 5.874 -4.413 -6.180 1.00 0.00 C ATOM 1110 O SER A 70 6.529 -5.448 -6.069 1.00 0.00 O ATOM 1111 CB SER A 70 6.934 -2.555 -7.496 1.00 0.00 C ATOM 1112 OG SER A 70 5.826 -1.965 -8.169 1.00 0.00 O ATOM 0 H SER A 70 8.307 -3.959 -5.385 1.00 0.00 H new ATOM 0 HA SER A 70 5.867 -2.327 -5.660 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.742 -1.827 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.313 -3.391 -8.085 1.00 0.00 H new ATOM 0 HG SER A 70 6.107 -1.662 -9.058 1.00 0.00 H new ATOM 1118 N PHE A 71 4.564 -4.371 -6.374 1.00 0.00 N ATOM 1119 CA PHE A 71 3.783 -5.592 -6.474 1.00 0.00 C ATOM 1120 C PHE A 71 2.490 -5.354 -7.256 1.00 0.00 C ATOM 1121 O PHE A 71 1.784 -4.377 -7.012 1.00 0.00 O ATOM 1122 CB PHE A 71 3.431 -6.016 -5.047 1.00 0.00 C ATOM 1123 CG PHE A 71 2.342 -5.161 -4.395 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.647 -3.930 -3.904 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.070 -5.633 -4.306 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.636 -3.137 -3.298 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.059 -4.840 -3.701 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.363 -3.609 -3.210 1.00 0.00 C ATOM 0 H PHE A 71 4.024 -3.511 -6.465 1.00 0.00 H new ATOM 0 HA PHE A 71 4.356 -6.358 -6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.104 -7.056 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.330 -5.971 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.657 -3.555 -3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.828 -6.611 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.878 -2.160 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.951 -5.215 -3.631 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.406 -3.006 -2.750 1.00 0.00 H new ATOM 1138 N THR A 72 2.219 -6.264 -8.180 1.00 0.00 N ATOM 1139 CA THR A 72 1.023 -6.164 -9.000 1.00 0.00 C ATOM 1140 C THR A 72 -0.166 -6.814 -8.289 1.00 0.00 C ATOM 1141 O THR A 72 0.004 -7.768 -7.532 1.00 0.00 O ATOM 1142 CB THR A 72 1.331 -6.789 -10.363 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.724 -8.122 -10.053 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.569 -6.177 -11.020 1.00 0.00 C ATOM 0 H THR A 72 2.807 -7.074 -8.379 1.00 0.00 H new ATOM 0 HA THR A 72 0.738 -5.124 -9.160 1.00 0.00 H new ATOM 0 HB THR A 72 0.472 -6.665 -11.022 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.683 -8.142 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.743 -6.655 -11.984 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.412 -5.109 -11.168 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.436 -6.330 -10.377 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.344 -6.270 -8.557 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.561 -6.784 -7.952 1.00 0.00 C ATOM 1154 C TRP A 73 -3.687 -6.664 -8.981 1.00 0.00 C ATOM 1155 O TRP A 73 -3.882 -5.603 -9.573 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.870 -6.059 -6.641 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.209 -6.451 -6.014 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.854 -7.622 -6.109 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.048 -5.618 -5.186 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.041 -7.605 -5.406 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.163 -6.347 -4.827 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.870 -4.292 -4.755 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.186 -5.836 -4.020 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.902 -3.795 -3.949 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -7.031 -4.517 -3.579 1.00 0.00 C ATOM 0 H TRP A 73 -1.482 -5.478 -9.185 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.445 -7.834 -7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.072 -6.265 -5.927 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.866 -4.984 -6.822 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.490 -8.473 -6.666 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.706 -8.374 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.006 -3.703 -5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -8.049 -6.428 -3.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.815 -2.780 -3.590 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.785 -4.062 -2.954 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.033 -2.034 -12.325 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.748 -1.274 -11.119 1.00 0.00 C ATOM 1223 C TRP A 78 -2.430 -1.788 -10.537 1.00 0.00 C ATOM 1224 O TRP A 78 -2.253 -2.992 -10.360 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.912 -1.359 -10.130 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.024 -0.340 -10.388 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.039 0.654 -11.287 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.290 -0.256 -9.700 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.218 1.370 -11.228 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.002 0.799 -10.233 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.815 -1.045 -8.662 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.280 1.161 -9.791 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.094 -0.670 -8.232 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.824 0.389 -8.758 1.00 0.00 C ATOM 0 HA TRP A 78 -3.637 -0.214 -11.348 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.336 -2.362 -10.170 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.528 -1.215 -9.120 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.231 0.868 -11.971 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.468 2.171 -11.808 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.275 -1.875 -8.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.818 1.992 -10.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.545 -1.244 -7.436 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.807 0.615 -8.371 1.00 0.00 H new ATOM 1245 N SER A 79 -1.538 -0.849 -10.256 1.00 0.00 N ATOM 1246 CA SER A 79 -0.241 -1.192 -9.697 1.00 0.00 C ATOM 1247 C SER A 79 0.207 -0.110 -8.713 1.00 0.00 C ATOM 1248 O SER A 79 0.056 1.081 -8.982 1.00 0.00 O ATOM 1249 CB SER A 79 0.804 -1.372 -10.801 1.00 0.00 C ATOM 1250 OG SER A 79 0.367 -0.829 -12.043 1.00 0.00 O ATOM 0 H SER A 79 -1.688 0.149 -10.405 1.00 0.00 H new ATOM 0 HA SER A 79 -0.336 -2.139 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.734 -0.889 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.021 -2.433 -10.925 1.00 0.00 H new ATOM 0 HG SER A 79 1.062 -0.962 -12.721 1.00 0.00 H new ATOM 1256 N VAL A 80 0.750 -0.563 -7.592 1.00 0.00 N ATOM 1257 CA VAL A 80 1.221 0.352 -6.566 1.00 0.00 C ATOM 1258 C VAL A 80 2.679 0.030 -6.233 1.00 0.00 C ATOM 1259 O VAL A 80 3.056 -1.138 -6.145 1.00 0.00 O ATOM 1260 CB VAL A 80 0.300 0.288 -5.346 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.114 -1.156 -4.874 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.829 1.171 -4.213 1.00 0.00 C ATOM 0 H VAL A 80 0.874 -1.551 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 80 1.190 1.380 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.676 0.672 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.545 -1.173 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.328 -1.747 -5.676 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.082 -1.578 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.156 1.108 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.822 0.830 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.886 2.205 -4.554 1.00 0.00 H new ATOM 1272 N THR A 81 3.459 1.086 -6.057 1.00 0.00 N ATOM 1273 CA THR A 81 4.868 0.931 -5.735 1.00 0.00 C ATOM 1274 C THR A 81 5.177 1.561 -4.376 1.00 0.00 C ATOM 1275 O THR A 81 4.723 2.666 -4.082 1.00 0.00 O ATOM 1276 CB THR A 81 5.684 1.529 -6.882 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.131 0.930 -8.051 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.139 1.057 -6.874 1.00 0.00 C ATOM 0 H THR A 81 3.142 2.053 -6.131 1.00 0.00 H new ATOM 0 HA THR A 81 5.138 -0.121 -5.639 1.00 0.00 H new ATOM 0 HB THR A 81 5.655 2.617 -6.819 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.356 -0.024 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.673 1.511 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.612 1.351 -5.937 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.170 -0.028 -6.971 1.00 0.00 H new ATOM 1286 N PHE A 82 5.948 0.832 -3.583 1.00 0.00 N ATOM 1287 CA PHE A 82 6.324 1.306 -2.261 1.00 0.00 C ATOM 1288 C PHE A 82 7.770 1.804 -2.248 1.00 0.00 C ATOM 1289 O PHE A 82 8.611 1.300 -2.992 1.00 0.00 O ATOM 1290 CB PHE A 82 6.198 0.117 -1.307 1.00 0.00 C ATOM 1291 CG PHE A 82 4.755 -0.315 -1.038 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.808 0.618 -0.751 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.419 -1.632 -1.086 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.469 0.218 -0.501 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.080 -2.033 -0.836 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.133 -1.100 -0.549 1.00 0.00 C ATOM 0 H PHE A 82 6.323 -0.084 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 82 5.680 2.134 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.748 -0.728 -1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.672 0.373 -0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.075 1.664 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.171 -2.373 -1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.717 0.959 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.814 -3.079 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.114 -1.405 -0.359 1.00 0.00 H new ATOM 1306 N HIS A 83 8.016 2.787 -1.395 1.00 0.00 N ATOM 1307 CA HIS A 83 9.346 3.359 -1.275 1.00 0.00 C ATOM 1308 C HIS A 83 9.646 3.659 0.195 1.00 0.00 C ATOM 1309 O HIS A 83 8.890 4.372 0.853 1.00 0.00 O ATOM 1310 CB HIS A 83 9.492 4.590 -2.172 1.00 0.00 C ATOM 1311 CG HIS A 83 9.338 4.297 -3.646 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.288 3.604 -4.375 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.337 4.611 -4.518 1.00 0.00 C ATOM 1314 CE1 HIS A 83 9.868 3.510 -5.628 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.659 4.135 -5.714 1.00 0.00 N ATOM 0 H HIS A 83 7.316 3.202 -0.780 1.00 0.00 H new ATOM 0 HA HIS A 83 10.087 2.639 -1.622 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.748 5.331 -1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.471 5.037 -2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.436 5.155 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.391 3.024 -6.438 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.095 4.222 -6.559 1.00 0.00 H new ATOM 1323 N LEU A 84 10.750 3.099 0.667 1.00 0.00 N ATOM 1324 CA LEU A 84 11.159 3.297 2.047 1.00 0.00 C ATOM 1325 C LEU A 84 12.537 3.962 2.076 1.00 0.00 C ATOM 1326 O LEU A 84 13.297 3.864 1.114 1.00 0.00 O ATOM 1327 CB LEU A 84 11.096 1.977 2.819 1.00 0.00 C ATOM 1328 CG LEU A 84 9.722 1.584 3.364 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.045 0.557 2.453 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.826 1.089 4.808 1.00 0.00 C ATOM 0 H LEU A 84 11.374 2.508 0.118 1.00 0.00 H new ATOM 0 HA LEU A 84 10.469 3.970 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.447 1.179 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.794 2.034 3.655 1.00 0.00 H new ATOM 0 HG LEU A 84 9.091 2.473 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.070 0.294 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.918 0.982 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.665 -0.337 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.835 0.816 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.480 0.218 4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.237 1.880 5.435 1.00 0.00 H new ATOM 1342 N LYS A 85 12.816 4.622 3.189 1.00 0.00 N ATOM 1343 CA LYS A 85 14.089 5.303 3.356 1.00 0.00 C ATOM 1344 C LYS A 85 14.211 5.801 4.798 1.00 0.00 C ATOM 1345 O LYS A 85 13.408 6.617 5.246 1.00 0.00 O ATOM 1346 CB LYS A 85 14.248 6.407 2.309 1.00 0.00 C ATOM 1347 CG LYS A 85 13.213 7.514 2.517 1.00 0.00 C ATOM 1348 CD LYS A 85 13.244 8.518 1.363 1.00 0.00 C ATOM 1349 CE LYS A 85 13.946 9.812 1.781 1.00 0.00 C ATOM 1350 NZ LYS A 85 15.291 9.893 1.169 1.00 0.00 N ATOM 0 H LYS A 85 12.183 4.700 3.985 1.00 0.00 H new ATOM 0 HA LYS A 85 14.915 4.613 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.252 6.827 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.138 5.984 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.218 7.076 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.410 8.029 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.760 8.080 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.226 8.740 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.349 10.671 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.031 9.852 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.753 10.777 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.863 9.083 1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.203 9.877 0.133 1.00 0.00 H new ATOM 1364 N GLU A 86 15.223 5.289 5.484 1.00 0.00 N ATOM 1365 CA GLU A 86 15.460 5.672 6.865 1.00 0.00 C ATOM 1366 C GLU A 86 15.791 7.163 6.953 1.00 0.00 C ATOM 1367 O GLU A 86 16.462 7.707 6.077 1.00 0.00 O ATOM 1368 CB GLU A 86 16.574 4.826 7.485 1.00 0.00 C ATOM 1369 CG GLU A 86 16.271 4.509 8.951 1.00 0.00 C ATOM 1370 CD GLU A 86 17.043 5.444 9.884 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.247 5.647 9.616 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.412 5.935 10.845 1.00 0.00 O ATOM 0 H GLU A 86 15.888 4.612 5.109 1.00 0.00 H new ATOM 0 HA GLU A 86 14.549 5.488 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.686 3.898 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.523 5.358 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.201 4.608 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.537 3.474 9.166 1.00 0.00 H new ATOM 1379 N GLU A 87 15.305 7.783 8.019 1.00 0.00 N ATOM 1380 CA GLU A 87 15.540 9.200 8.233 1.00 0.00 C ATOM 1381 C GLU A 87 16.290 9.421 9.548 1.00 0.00 C ATOM 1382 O GLU A 87 16.731 8.465 10.184 1.00 0.00 O ATOM 1383 CB GLU A 87 14.226 9.984 8.212 1.00 0.00 C ATOM 1384 CG GLU A 87 14.170 10.929 7.010 1.00 0.00 C ATOM 1385 CD GLU A 87 14.514 12.362 7.423 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.609 13.027 7.971 1.00 0.00 O ATOM 1387 OE2 GLU A 87 15.674 12.759 7.181 1.00 0.00 O ATOM 0 H GLU A 87 14.749 7.329 8.744 1.00 0.00 H new ATOM 0 HA GLU A 87 16.159 9.573 7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.386 9.291 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.125 10.556 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.867 10.590 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.174 10.903 6.568 1.00 0.00 H new ATOM 1394 N GLU A 88 16.411 10.688 9.918 1.00 0.00 N ATOM 1395 CA GLU A 88 17.099 11.046 11.146 1.00 0.00 C ATOM 1396 C GLU A 88 16.743 10.061 12.261 1.00 0.00 C ATOM 1397 O GLU A 88 17.535 9.181 12.594 1.00 0.00 O ATOM 1398 CB GLU A 88 16.772 12.483 11.559 1.00 0.00 C ATOM 1399 CG GLU A 88 17.698 13.479 10.858 1.00 0.00 C ATOM 1400 CD GLU A 88 18.381 14.400 11.871 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.400 13.957 12.443 1.00 0.00 O ATOM 1402 OE2 GLU A 88 17.868 15.525 12.051 1.00 0.00 O ATOM 0 H GLU A 88 16.044 11.479 9.389 1.00 0.00 H new ATOM 0 HA GLU A 88 18.173 10.989 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.735 12.709 11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.872 12.586 12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.452 12.939 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.125 14.075 10.147 1.00 0.00 H new ATOM 1409 N ASN A 89 15.550 10.242 12.809 1.00 0.00 N ATOM 1410 CA ASN A 89 15.079 9.380 13.879 1.00 0.00 C ATOM 1411 C ASN A 89 13.682 8.860 13.533 1.00 0.00 C ATOM 1412 O ASN A 89 12.722 9.122 14.255 1.00 0.00 O ATOM 1413 CB ASN A 89 14.984 10.145 15.201 1.00 0.00 C ATOM 1414 CG ASN A 89 16.341 10.191 15.907 1.00 0.00 C ATOM 1415 OD1 ASN A 89 16.612 9.449 16.837 1.00 0.00 O ATOM 1416 ND2 ASN A 89 17.176 11.101 15.414 1.00 0.00 N ATOM 0 H ASN A 89 14.896 10.973 12.532 1.00 0.00 H new ATOM 0 HA ASN A 89 15.788 8.559 13.987 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.633 11.160 15.014 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.249 9.668 15.849 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.107 11.210 15.816 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.885 11.690 14.634 1.00 0.00 H new ATOM 1423 N GLY A 90 13.614 8.133 12.428 1.00 0.00 N ATOM 1424 CA GLY A 90 12.351 7.574 11.977 1.00 0.00 C ATOM 1425 C GLY A 90 12.484 6.979 10.573 1.00 0.00 C ATOM 1426 O GLY A 90 13.517 7.138 9.924 1.00 0.00 O ATOM 0 H GLY A 90 14.413 7.918 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.022 6.802 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.586 8.350 11.976 1.00 0.00 H new ATOM 1430 N THR A 91 11.425 6.308 10.146 1.00 0.00 N ATOM 1431 CA THR A 91 11.411 5.690 8.832 1.00 0.00 C ATOM 1432 C THR A 91 10.431 6.418 7.910 1.00 0.00 C ATOM 1433 O THR A 91 9.343 6.804 8.335 1.00 0.00 O ATOM 1434 CB THR A 91 11.087 4.205 9.011 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.189 3.697 9.757 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.140 3.431 7.693 1.00 0.00 C ATOM 0 H THR A 91 10.570 6.179 10.687 1.00 0.00 H new ATOM 0 HA THR A 91 12.384 5.770 8.348 1.00 0.00 H new ATOM 0 HB THR A 91 10.096 4.100 9.453 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.980 3.731 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.902 2.383 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.415 3.851 6.995 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.140 3.507 7.266 1.00 0.00 H new ATOM 1444 N ILE A 92 10.852 6.585 6.665 1.00 0.00 N ATOM 1445 CA ILE A 92 10.025 7.261 5.679 1.00 0.00 C ATOM 1446 C ILE A 92 9.328 6.218 4.804 1.00 0.00 C ATOM 1447 O ILE A 92 9.952 5.253 4.365 1.00 0.00 O ATOM 1448 CB ILE A 92 10.855 8.273 4.887 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.415 9.362 5.806 1.00 0.00 C ATOM 1450 CG2 ILE A 92 10.044 8.861 3.730 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.331 9.902 6.740 1.00 0.00 C ATOM 0 H ILE A 92 11.755 6.264 6.316 1.00 0.00 H new ATOM 0 HA ILE A 92 9.243 7.840 6.170 1.00 0.00 H new ATOM 0 HB ILE A 92 11.706 7.750 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.239 8.958 6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.821 10.176 5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.657 9.577 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.735 8.060 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.161 9.365 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.755 10.674 7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.520 10.327 6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.944 9.090 7.356 1.00 0.00 H new ATOM 1463 N PHE A 93 8.043 6.447 4.575 1.00 0.00 N ATOM 1464 CA PHE A 93 7.254 5.540 3.760 1.00 0.00 C ATOM 1465 C PHE A 93 6.455 6.305 2.704 1.00 0.00 C ATOM 1466 O PHE A 93 5.657 7.181 3.037 1.00 0.00 O ATOM 1467 CB PHE A 93 6.281 4.825 4.700 1.00 0.00 C ATOM 1468 CG PHE A 93 5.538 3.654 4.054 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.671 3.879 3.031 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.747 2.387 4.502 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.982 2.792 2.432 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.058 1.299 3.903 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.190 1.525 2.880 1.00 0.00 C ATOM 0 H PHE A 93 7.529 7.249 4.940 1.00 0.00 H new ATOM 0 HA PHE A 93 7.910 4.839 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.832 4.459 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.551 5.546 5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.507 4.885 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.437 2.208 5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.292 2.971 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.223 0.293 4.259 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.666 0.698 2.424 1.00 0.00 H new ATOM 1483 N THR A 94 6.697 5.948 1.451 1.00 0.00 N ATOM 1484 CA THR A 94 6.010 6.591 0.343 1.00 0.00 C ATOM 1485 C THR A 94 5.305 5.546 -0.525 1.00 0.00 C ATOM 1486 O THR A 94 5.883 4.511 -0.849 1.00 0.00 O ATOM 1487 CB THR A 94 7.033 7.429 -0.425 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.606 8.274 0.569 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.375 8.401 -1.407 1.00 0.00 C ATOM 0 H THR A 94 7.359 5.222 1.178 1.00 0.00 H new ATOM 0 HA THR A 94 5.224 7.257 0.698 1.00 0.00 H new ATOM 0 HB THR A 94 7.710 6.768 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.282 8.851 0.157 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.146 8.971 -1.926 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.787 7.841 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.724 9.084 -0.862 1.00 0.00 H new ATOM 1497 N ILE A 95 4.065 5.855 -0.876 1.00 0.00 N ATOM 1498 CA ILE A 95 3.275 4.957 -1.700 1.00 0.00 C ATOM 1499 C ILE A 95 2.914 5.658 -3.011 1.00 0.00 C ATOM 1500 O ILE A 95 2.625 6.854 -3.020 1.00 0.00 O ATOM 1501 CB ILE A 95 2.061 4.444 -0.922 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.991 3.901 -1.871 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.507 5.528 0.006 1.00 0.00 C ATOM 1504 CD1 ILE A 95 0.204 5.041 -2.521 1.00 0.00 C ATOM 0 H ILE A 95 3.588 6.715 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 95 3.855 4.072 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 95 2.384 3.615 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.460 3.292 -2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.310 3.251 -1.322 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.645 5.138 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.277 5.827 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.204 6.392 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.550 4.627 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.284 5.634 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.885 5.675 -3.089 1.00 0.00 H new ATOM 1516 N VAL A 96 2.942 4.885 -4.086 1.00 0.00 N ATOM 1517 CA VAL A 96 2.621 5.417 -5.400 1.00 0.00 C ATOM 1518 C VAL A 96 1.597 4.506 -6.079 1.00 0.00 C ATOM 1519 O VAL A 96 1.894 3.352 -6.384 1.00 0.00 O ATOM 1520 CB VAL A 96 3.901 5.594 -6.219 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.587 6.139 -7.614 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.899 6.495 -5.490 1.00 0.00 C ATOM 0 H VAL A 96 3.182 3.894 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 96 2.168 6.405 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 96 4.361 4.613 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.514 6.256 -8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.931 5.444 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.093 7.106 -7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.800 6.604 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.452 7.475 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.158 6.049 -4.530 1.00 0.00 H new ATOM 1532 N HIS A 97 0.412 5.058 -6.295 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.658 4.309 -6.932 1.00 0.00 C ATOM 1534 C HIS A 97 -1.035 4.978 -8.256 1.00 0.00 C ATOM 1535 O HIS A 97 -1.495 6.119 -8.270 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.850 4.153 -5.986 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.695 2.932 -6.261 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.010 2.822 -5.843 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.401 1.772 -6.916 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.476 1.644 -6.233 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.476 0.995 -6.897 1.00 0.00 N ATOM 0 H HIS A 97 0.169 6.015 -6.040 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.315 3.300 -7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.483 4.105 -4.961 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.478 5.041 -6.059 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.532 3.528 -5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.453 1.528 -7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.472 1.265 -6.056 1.00 0.00 H new ATOM 1549 N SER A 98 -0.826 4.240 -9.336 1.00 0.00 N ATOM 1550 CA SER A 98 -1.138 4.747 -10.661 1.00 0.00 C ATOM 1551 C SER A 98 -2.159 3.835 -11.343 1.00 0.00 C ATOM 1552 O SER A 98 -2.389 2.712 -10.897 1.00 0.00 O ATOM 1553 CB SER A 98 0.124 4.865 -11.517 1.00 0.00 C ATOM 1554 OG SER A 98 1.117 5.677 -10.896 1.00 0.00 O ATOM 0 H SER A 98 -0.444 3.294 -9.320 1.00 0.00 H new ATOM 0 HA SER A 98 -1.566 5.744 -10.554 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.532 3.871 -11.701 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.135 5.288 -12.488 1.00 0.00 H new ATOM 0 HG SER A 98 1.907 5.726 -11.473 1.00 0.00 H new ATOM 1889 N MET A 121 -10.875 5.407 -2.555 1.00 0.00 N ATOM 1890 CA MET A 121 -9.642 4.651 -2.415 1.00 0.00 C ATOM 1891 C MET A 121 -8.523 5.527 -1.847 1.00 0.00 C ATOM 1892 O MET A 121 -7.850 5.140 -0.893 1.00 0.00 O ATOM 1893 CB MET A 121 -9.220 4.104 -3.780 1.00 0.00 C ATOM 1894 CG MET A 121 -9.540 2.612 -3.896 1.00 0.00 C ATOM 1895 SD MET A 121 -8.154 1.645 -3.323 1.00 0.00 S ATOM 1896 CE MET A 121 -8.101 0.395 -4.596 1.00 0.00 C ATOM 0 HA MET A 121 -9.820 3.827 -1.723 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.734 4.652 -4.570 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.151 4.263 -3.925 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.427 2.375 -3.309 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.767 2.360 -4.932 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.285 -0.298 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.045 -0.150 -4.611 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.940 0.869 -5.564 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.359 6.691 -2.458 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.333 7.625 -2.026 1.00 0.00 C ATOM 1908 C ASP A 122 -7.462 7.856 -0.519 1.00 0.00 C ATOM 1909 O ASP A 122 -6.500 7.670 0.225 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.488 8.976 -2.727 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.597 10.093 -2.181 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.628 10.292 -0.947 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.905 10.724 -3.009 1.00 0.00 O ATOM 0 H ASP A 122 -8.919 7.009 -3.249 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.361 7.199 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.272 8.845 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.529 9.291 -2.650 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.658 8.257 -0.115 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.925 8.515 1.290 1.00 0.00 C ATOM 1920 C ARG A 123 -8.411 7.358 2.149 1.00 0.00 C ATOM 1921 O ARG A 123 -7.534 7.547 2.990 1.00 0.00 O ATOM 1922 CB ARG A 123 -10.422 8.703 1.541 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.825 10.171 1.387 1.00 0.00 C ATOM 1924 CD ARG A 123 -12.291 10.381 1.773 1.00 0.00 C ATOM 1925 NE ARG A 123 -12.865 11.498 0.990 1.00 0.00 N ATOM 1926 CZ ARG A 123 -14.113 11.959 1.144 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -14.926 11.402 2.052 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -14.549 12.977 0.390 1.00 0.00 N ATOM 0 H ARG A 123 -9.453 8.410 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 123 -8.405 9.433 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.991 8.091 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.672 8.357 2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -10.187 10.794 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.668 10.489 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -12.858 9.468 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -12.368 10.596 2.839 1.00 0.00 H new ATOM 0 HE ARG A 123 -12.273 11.945 0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.594 10.627 2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -15.876 11.753 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -13.930 13.401 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -15.499 13.328 0.507 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.981 6.187 1.908 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.592 4.999 2.650 1.00 0.00 C ATOM 1944 C GLY A 124 -7.108 4.687 2.446 1.00 0.00 C ATOM 1945 O GLY A 124 -6.467 4.101 3.317 1.00 0.00 O ATOM 0 H GLY A 124 -9.709 6.035 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.794 5.146 3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.194 4.150 2.326 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.604 5.093 1.290 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.208 4.864 0.960 1.00 0.00 C ATOM 1951 C TRP A 125 -4.351 5.602 1.991 1.00 0.00 C ATOM 1952 O TRP A 125 -3.504 4.997 2.647 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.907 5.287 -0.479 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.626 4.118 -1.426 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.304 3.768 -2.527 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.559 3.154 -1.309 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.753 2.653 -3.127 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.658 2.268 -2.362 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.542 3.035 -0.345 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.773 1.200 -2.552 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.666 1.963 -0.548 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.753 1.062 -1.604 1.00 0.00 C ATOM 0 H TRP A 125 -7.138 5.579 0.570 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.971 3.801 1.006 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.753 5.857 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -4.046 5.955 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.172 4.292 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.088 2.196 -3.975 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.445 3.717 0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -2.872 0.520 -3.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.867 1.826 0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.036 0.259 -1.692 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.602 6.898 2.102 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.864 7.725 3.042 1.00 0.00 C ATOM 1975 C HIS A 126 -4.142 7.251 4.470 1.00 0.00 C ATOM 1976 O HIS A 126 -3.214 7.014 5.241 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.190 9.206 2.835 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.121 10.146 3.338 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -3.388 11.448 3.723 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -1.781 9.959 3.516 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -2.254 12.011 4.112 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.259 11.086 3.982 1.00 0.00 N ATOM 0 H HIS A 126 -5.306 7.396 1.557 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.794 7.620 2.863 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.348 9.388 1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.128 9.435 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.238 9.048 3.312 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.137 13.024 4.469 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.275 11.237 4.206 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.425 7.128 4.779 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.837 6.687 6.101 1.00 0.00 C ATOM 1992 C ASP A 127 -5.174 5.344 6.415 1.00 0.00 C ATOM 1993 O ASP A 127 -4.726 5.116 7.538 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.353 6.493 6.170 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.178 7.648 5.599 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.634 8.773 5.567 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.335 7.380 5.207 1.00 0.00 O ATOM 0 H ASP A 127 -6.192 7.326 4.137 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.538 7.451 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.612 5.581 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.638 6.342 7.211 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.133 4.490 5.403 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.532 3.175 5.557 1.00 0.00 C ATOM 2004 C LEU A 128 -3.064 3.334 5.956 1.00 0.00 C ATOM 2005 O LEU A 128 -2.628 2.782 6.965 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.739 2.340 4.292 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.959 1.026 4.221 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.476 0.025 5.257 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.985 0.449 2.804 1.00 0.00 C ATOM 0 H LEU A 128 -5.506 4.682 4.473 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.023 2.623 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.801 2.114 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.466 2.949 3.430 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.917 1.233 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.905 -0.900 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.363 0.445 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.529 -0.183 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.423 -0.485 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.017 0.259 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.534 1.161 2.113 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.341 4.091 5.144 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.931 4.329 5.399 1.00 0.00 C ATOM 2023 C VAL A 129 -0.778 5.583 6.262 1.00 0.00 C ATOM 2024 O VAL A 129 0.121 6.392 6.034 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.167 4.416 4.076 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.573 5.663 3.290 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.344 4.384 4.313 1.00 0.00 C ATOM 0 H VAL A 129 -2.706 4.548 4.308 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.498 3.497 5.955 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.431 3.543 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.015 5.701 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.641 5.626 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.352 6.553 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.864 4.447 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.632 5.228 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.614 3.453 4.812 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.669 5.706 7.234 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.645 6.849 8.132 1.00 0.00 C ATOM 2039 C ASN A 130 -1.485 6.357 9.572 1.00 0.00 C ATOM 2040 O ASN A 130 -0.454 6.590 10.200 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.948 7.645 8.045 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.695 9.054 7.505 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.897 10.051 8.179 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.242 9.081 6.255 1.00 0.00 N ATOM 0 H ASN A 130 -2.413 5.033 7.420 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.812 7.489 7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.654 7.125 7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.407 7.707 9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.042 9.974 5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -2.095 8.209 5.747 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.522 5.687 10.052 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.510 5.160 11.406 1.00 0.00 C ATOM 2053 C GLU A 131 -2.687 3.640 11.387 1.00 0.00 C ATOM 2054 O GLU A 131 -2.118 2.935 12.218 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.589 5.826 12.263 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.957 5.744 11.584 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.993 5.105 12.512 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -6.006 3.857 12.574 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.747 5.880 13.139 1.00 0.00 O ATOM 0 H GLU A 131 -3.376 5.497 9.528 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.543 5.388 11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.634 5.342 13.239 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.327 6.870 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.286 6.743 11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.877 5.161 10.666 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.478 3.181 10.428 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.736 1.758 10.289 1.00 0.00 C ATOM 2068 C ARG A 132 -2.422 0.995 10.109 1.00 0.00 C ATOM 2069 O ARG A 132 -2.266 -0.109 10.628 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.649 1.478 9.093 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.954 2.269 9.202 1.00 0.00 C ATOM 2072 CD ARG A 132 -7.080 1.395 9.759 1.00 0.00 C ATOM 2073 NE ARG A 132 -8.232 1.401 8.830 1.00 0.00 N ATOM 2074 CZ ARG A 132 -9.400 0.795 9.079 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -9.579 0.130 10.228 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.390 0.853 8.177 1.00 0.00 N ATOM 0 H ARG A 132 -3.948 3.769 9.740 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.234 1.421 11.198 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -4.135 1.743 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.869 0.412 9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.806 3.134 9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.236 2.650 8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -6.723 0.375 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -7.389 1.765 10.737 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.130 1.898 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.825 0.085 10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -10.469 -0.331 10.417 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.253 1.358 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -11.280 0.392 8.366 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.512 1.614 9.372 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.217 1.007 9.117 1.00 0.00 C ATOM 2092 C LEU A 133 0.742 1.364 10.255 1.00 0.00 C ATOM 2093 O LEU A 133 1.498 0.514 10.724 1.00 0.00 O ATOM 2094 CB LEU A 133 0.298 1.403 7.732 1.00 0.00 C ATOM 2095 CG LEU A 133 1.789 1.171 7.478 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.170 -0.286 7.751 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.180 1.611 6.066 1.00 0.00 C ATOM 0 H LEU A 133 -1.646 2.530 8.943 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.303 -0.079 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.268 0.848 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.083 2.460 7.575 1.00 0.00 H new ATOM 0 HG LEU A 133 2.355 1.789 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.235 -0.425 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 133 1.950 -0.531 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.597 -0.941 7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.245 1.435 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.608 1.039 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.966 2.673 5.943 1.00 0.00 H new ATOM 2109 N ARG A 134 0.680 2.622 10.665 1.00 0.00 N ATOM 2110 CA ARG A 134 1.533 3.102 11.739 1.00 0.00 C ATOM 2111 C ARG A 134 1.369 2.223 12.980 1.00 0.00 C ATOM 2112 O ARG A 134 2.326 2.006 13.723 1.00 0.00 O ATOM 2113 CB ARG A 134 1.200 4.551 12.101 1.00 0.00 C ATOM 2114 CG ARG A 134 2.284 5.156 12.995 1.00 0.00 C ATOM 2115 CD ARG A 134 1.674 6.088 14.044 1.00 0.00 C ATOM 2116 NE ARG A 134 2.445 7.349 14.110 1.00 0.00 N ATOM 2117 CZ ARG A 134 2.301 8.364 13.246 1.00 0.00 C ATOM 2118 NH1 ARG A 134 1.414 8.271 12.246 1.00 0.00 N ATOM 2119 NH2 ARG A 134 3.043 9.471 13.383 1.00 0.00 N ATOM 0 H ARG A 134 0.052 3.324 10.273 1.00 0.00 H new ATOM 0 HA ARG A 134 2.564 3.055 11.390 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.101 5.143 11.191 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.238 4.590 12.612 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.838 4.359 13.490 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.998 5.708 12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.635 6.300 13.793 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.674 5.601 15.019 1.00 0.00 H new ATOM 0 HE ARG A 134 3.129 7.453 14.860 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.849 7.428 12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 134 1.304 9.043 11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 134 3.718 9.542 14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 134 2.933 10.243 12.726 1.00 0.00 H new ATOM 2133 N GLN A 135 0.150 1.740 13.168 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.151 0.889 14.306 1.00 0.00 C ATOM 2135 C GLN A 135 0.647 -0.414 14.222 1.00 0.00 C ATOM 2136 O GLN A 135 0.988 -1.005 15.245 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.652 0.607 14.398 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.180 0.901 15.804 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.676 0.597 15.902 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -4.209 -0.258 15.215 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.323 1.344 16.793 1.00 0.00 N ATOM 0 H GLN A 135 -0.641 1.922 12.551 1.00 0.00 H new ATOM 0 HA GLN A 135 0.144 1.414 15.215 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.186 1.218 13.670 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.846 -0.435 14.143 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.635 0.302 16.534 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.001 1.947 16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -3.817 2.043 17.336 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.325 1.218 16.933 1.00 0.00 H new ATOM 2150 N ILE A 136 0.923 -0.823 12.992 1.00 0.00 N ATOM 2151 CA ILE A 136 1.675 -2.044 12.760 1.00 0.00 C ATOM 2152 C ILE A 136 3.061 -1.913 13.395 1.00 0.00 C ATOM 2153 O ILE A 136 3.702 -2.915 13.706 1.00 0.00 O ATOM 2154 CB ILE A 136 1.711 -2.376 11.267 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.297 -2.476 10.693 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.527 -3.644 11.007 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.575 -3.404 11.541 1.00 0.00 C ATOM 0 H ILE A 136 0.639 -0.330 12.145 1.00 0.00 H new ATOM 0 HA ILE A 136 1.183 -2.891 13.239 1.00 0.00 H new ATOM 0 HB ILE A 136 2.212 -1.559 10.747 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.154 -1.484 10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.342 -2.848 9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.537 -3.858 9.938 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.549 -3.497 11.357 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.078 -4.482 11.540 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.575 -3.457 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.134 -4.401 11.560 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.638 -3.016 12.558 1.00 0.00 H new ATOM 2169 N VAL A 137 3.482 -0.669 13.568 1.00 0.00 N ATOM 2170 CA VAL A 137 4.780 -0.393 14.160 1.00 0.00 C ATOM 2171 C VAL A 137 4.583 0.221 15.547 1.00 0.00 C ATOM 2172 O VAL A 137 5.392 0.003 16.447 1.00 0.00 O ATOM 2173 CB VAL A 137 5.604 0.494 13.224 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.985 -0.260 11.949 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.856 1.787 12.895 1.00 0.00 C ATOM 0 H VAL A 137 2.947 0.160 13.308 1.00 0.00 H new ATOM 0 HA VAL A 137 5.344 -1.316 14.291 1.00 0.00 H new ATOM 0 HB VAL A 137 6.525 0.763 13.741 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.570 0.393 11.301 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.576 -1.138 12.209 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.081 -0.573 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.463 2.399 12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.911 1.547 12.407 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.659 2.338 13.815 1.00 0.00 H new ATOM 2185 N GLU A 138 3.503 0.978 15.676 1.00 0.00 N ATOM 2186 CA GLU A 138 3.190 1.625 16.939 1.00 0.00 C ATOM 2187 C GLU A 138 2.335 0.703 17.810 1.00 0.00 C ATOM 2188 O GLU A 138 1.712 1.153 18.771 1.00 0.00 O ATOM 2189 CB GLU A 138 2.490 2.966 16.708 1.00 0.00 C ATOM 2190 CG GLU A 138 3.508 4.101 16.577 1.00 0.00 C ATOM 2191 CD GLU A 138 3.389 5.082 17.745 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.817 4.698 18.855 1.00 0.00 O ATOM 2193 OE2 GLU A 138 2.872 6.194 17.502 1.00 0.00 O ATOM 0 H GLU A 138 2.834 1.158 14.927 1.00 0.00 H new ATOM 0 HA GLU A 138 4.124 1.825 17.464 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.882 2.912 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.813 3.174 17.536 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.516 3.688 16.546 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.350 4.629 15.637 1.00 0.00 H new