USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 820 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.6!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.02! C(o=-2!,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -5.09! C(o=-5.1!,f=-8.8!) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.022 (180deg=-0.184) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.531 USER MOD Single : A 50 TYR OH : rot 15:sc= -0.382 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.509 K(o=-0.51,f=-13!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.052) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 168:sc= -0.0205 (180deg=-0.183) USER MOD Single : A 68 TYR OH : rot 68:sc= 0.179 USER MOD Single : A 70 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.012) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00119 USER MOD Single : A 73 SER OG : rot -85:sc= 0.125 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 CYS SG : rot -120:sc= -1.02 USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0964 F(o=-0.62,f=-0.096) USER MOD Single : A 86 CYS SG : rot -170:sc= -0.209 USER MOD Single : A 91 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-6.8!) USER MOD Single : A 92 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 93 TYR OH : rot 53:sc= 0.204 USER MOD Single : A 101 ASN : amide:sc= 0.226 K(o=0.23,f=-5.1!) USER MOD Single : A 104 CYS SG : rot 60:sc=0.000752 USER MOD Single : A 106 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.035) USER MOD Single : A 109 TYR OH : rot -143:sc= 0.102 USER MOD Single : A 110 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.875 1.421 3.797 1.00 0.00 N ATOM 144 CA LEU A 13 9.053 2.288 2.960 1.00 0.00 C ATOM 145 C LEU A 13 9.904 3.355 2.279 1.00 0.00 C ATOM 146 O LEU A 13 11.039 3.610 2.683 1.00 0.00 O ATOM 147 CB LEU A 13 7.959 2.951 3.799 1.00 0.00 C ATOM 148 CG LEU A 13 8.425 4.026 4.781 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.603 5.358 4.070 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.438 4.161 5.932 1.00 0.00 C ATOM 0 HA LEU A 13 8.589 1.673 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.230 3.397 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.439 2.175 4.361 1.00 0.00 H new ATOM 0 HG LEU A 13 9.390 3.724 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.935 6.111 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.348 5.253 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.653 5.667 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.786 4.931 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.459 4.439 5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.361 3.210 6.459 1.00 0.00 H new ATOM 162 N LYS A 14 9.349 3.977 1.245 1.00 0.00 N ATOM 163 CA LYS A 14 10.055 5.019 0.510 1.00 0.00 C ATOM 164 C LYS A 14 9.080 5.873 -0.294 1.00 0.00 C ATOM 165 O LYS A 14 8.130 5.373 -0.898 1.00 0.00 O ATOM 166 CB LYS A 14 11.095 4.397 -0.425 1.00 0.00 C ATOM 167 CG LYS A 14 12.117 5.393 -0.946 1.00 0.00 C ATOM 168 CD LYS A 14 13.075 4.744 -1.931 1.00 0.00 C ATOM 169 CE LYS A 14 13.796 5.785 -2.774 1.00 0.00 C ATOM 170 NZ LYS A 14 14.726 6.613 -1.958 1.00 0.00 N ATOM 0 H LYS A 14 8.411 3.777 0.897 1.00 0.00 H new ATOM 0 HA LYS A 14 10.561 5.659 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.615 3.598 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.583 3.938 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.603 6.224 -1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.679 5.810 -0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.805 4.144 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.525 4.065 -2.582 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.354 5.287 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.063 6.431 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.197 7.310 -2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.190 7.109 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.441 6.000 -1.517 1.00 0.00 H new ATOM 184 N PRO A 15 9.318 7.193 -0.306 1.00 0.00 N ATOM 185 CA PRO A 15 8.472 8.144 -1.034 1.00 0.00 C ATOM 186 C PRO A 15 8.615 8.006 -2.546 1.00 0.00 C ATOM 187 O PRO A 15 9.651 7.585 -3.060 1.00 0.00 O ATOM 188 CB PRO A 15 8.991 9.507 -0.570 1.00 0.00 C ATOM 189 CG PRO A 15 10.402 9.257 -0.162 1.00 0.00 C ATOM 190 CD PRO A 15 10.431 7.859 0.391 1.00 0.00 C ATOM 0 HA PRO A 15 7.413 7.985 -0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.935 10.245 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.401 9.893 0.261 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.077 9.355 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.726 9.980 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.383 7.367 0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.290 7.851 1.472 1.00 0.00 H new ATOM 198 N PRO A 16 7.550 8.369 -3.277 1.00 0.00 N ATOM 199 CA PRO A 16 7.533 8.296 -4.741 1.00 0.00 C ATOM 200 C PRO A 16 8.450 9.330 -5.384 1.00 0.00 C ATOM 201 O PRO A 16 8.774 10.349 -4.775 1.00 0.00 O ATOM 202 CB PRO A 16 6.071 8.584 -5.093 1.00 0.00 C ATOM 203 CG PRO A 16 5.556 9.384 -3.947 1.00 0.00 C ATOM 204 CD PRO A 16 6.282 8.880 -2.730 1.00 0.00 C ATOM 0 HA PRO A 16 7.892 7.333 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.991 9.136 -6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.505 7.661 -5.218 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.741 10.447 -4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.479 9.260 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.449 9.675 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.719 8.097 -2.222 1.00 0.00 H new ATOM 212 N GLU A 17 8.864 9.061 -6.618 1.00 0.00 N ATOM 213 CA GLU A 17 9.744 9.970 -7.343 1.00 0.00 C ATOM 214 C GLU A 17 8.943 10.882 -8.267 1.00 0.00 C ATOM 215 O GLU A 17 9.245 12.068 -8.398 1.00 0.00 O ATOM 216 CB GLU A 17 10.772 9.179 -8.155 1.00 0.00 C ATOM 217 CG GLU A 17 12.007 8.789 -7.360 1.00 0.00 C ATOM 218 CD GLU A 17 13.191 8.457 -8.247 1.00 0.00 C ATOM 219 OE1 GLU A 17 13.064 7.547 -9.092 1.00 0.00 O ATOM 220 OE2 GLU A 17 14.246 9.108 -8.095 1.00 0.00 O ATOM 0 H GLU A 17 8.604 8.222 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 17 10.266 10.589 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.300 8.276 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.077 9.773 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.277 9.606 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.774 7.928 -6.734 1.00 0.00 H new ATOM 227 N GLN A 18 7.921 10.320 -8.903 1.00 0.00 N ATOM 228 CA GLN A 18 7.077 11.083 -9.816 1.00 0.00 C ATOM 229 C GLN A 18 5.731 10.394 -10.017 1.00 0.00 C ATOM 230 O GLN A 18 5.659 9.170 -10.115 1.00 0.00 O ATOM 231 CB GLN A 18 7.778 11.262 -11.163 1.00 0.00 C ATOM 232 CG GLN A 18 7.899 9.974 -11.962 1.00 0.00 C ATOM 233 CD GLN A 18 6.707 9.736 -12.868 1.00 0.00 C ATOM 234 OE1 GLN A 18 6.014 10.675 -13.262 1.00 0.00 O ATOM 235 NE2 GLN A 18 6.461 8.475 -13.205 1.00 0.00 N ATOM 0 H GLN A 18 7.657 9.340 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 18 6.900 12.063 -9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.230 11.996 -11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.775 11.669 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.807 10.008 -12.564 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.003 9.133 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.061 7.728 -12.856 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.672 8.254 -13.813 1.00 0.00 H new ATOM 244 N GLU A 19 4.668 11.190 -10.076 1.00 0.00 N ATOM 245 CA GLU A 19 3.324 10.655 -10.265 1.00 0.00 C ATOM 246 C GLU A 19 3.319 9.557 -11.324 1.00 0.00 C ATOM 247 O GLU A 19 3.604 9.809 -12.495 1.00 0.00 O ATOM 248 CB GLU A 19 2.359 11.772 -10.667 1.00 0.00 C ATOM 249 CG GLU A 19 0.983 11.271 -11.072 1.00 0.00 C ATOM 250 CD GLU A 19 0.111 12.366 -11.655 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.336 12.746 -12.823 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.797 12.842 -10.942 1.00 0.00 O ATOM 0 H GLU A 19 4.711 12.206 -9.996 1.00 0.00 H new ATOM 0 HA GLU A 19 2.996 10.224 -9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.253 12.466 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.791 12.333 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.093 10.471 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.487 10.841 -10.202 1.00 0.00 H new ATOM 259 N ILE A 20 2.994 8.340 -10.904 1.00 0.00 N ATOM 260 CA ILE A 20 2.951 7.203 -11.816 1.00 0.00 C ATOM 261 C ILE A 20 1.587 7.089 -12.487 1.00 0.00 C ATOM 262 O ILE A 20 0.706 7.920 -12.271 1.00 0.00 O ATOM 263 CB ILE A 20 3.263 5.884 -11.086 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.182 5.582 -10.046 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.633 5.954 -10.427 1.00 0.00 C ATOM 266 CD1 ILE A 20 1.958 4.103 -9.819 1.00 0.00 C ATOM 0 H ILE A 20 2.756 8.115 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 20 3.714 7.378 -12.575 1.00 0.00 H new ATOM 0 HB ILE A 20 3.273 5.076 -11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.458 6.049 -9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.245 6.038 -10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.839 5.014 -9.915 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.394 6.127 -11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.648 6.771 -9.706 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.179 3.964 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.651 3.634 -10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.883 3.644 -9.470 1.00 0.00 H new ATOM 278 N GLU A 21 1.420 6.052 -13.303 1.00 0.00 N ATOM 279 CA GLU A 21 0.162 5.828 -14.005 1.00 0.00 C ATOM 280 C GLU A 21 -0.509 4.544 -13.525 1.00 0.00 C ATOM 281 O GLU A 21 0.160 3.548 -13.251 1.00 0.00 O ATOM 282 CB GLU A 21 0.401 5.758 -15.515 1.00 0.00 C ATOM 283 CG GLU A 21 -0.588 4.866 -16.247 1.00 0.00 C ATOM 284 CD GLU A 21 -0.679 5.187 -17.726 1.00 0.00 C ATOM 285 OE1 GLU A 21 -0.688 6.387 -18.074 1.00 0.00 O ATOM 286 OE2 GLU A 21 -0.743 4.239 -18.536 1.00 0.00 O ATOM 0 H GLU A 21 2.140 5.355 -13.494 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.500 6.666 -13.787 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.346 6.764 -15.930 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.411 5.393 -15.698 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.293 3.824 -16.123 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.574 4.974 -15.794 1.00 0.00 H new ATOM 293 N ILE A 22 -1.834 4.577 -13.426 1.00 0.00 N ATOM 294 CA ILE A 22 -2.595 3.417 -12.980 1.00 0.00 C ATOM 295 C ILE A 22 -3.787 3.157 -13.894 1.00 0.00 C ATOM 296 O ILE A 22 -4.366 4.088 -14.456 1.00 0.00 O ATOM 297 CB ILE A 22 -3.099 3.596 -11.536 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.920 3.816 -10.585 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.915 2.385 -11.106 1.00 0.00 C ATOM 300 CD1 ILE A 22 -1.043 2.595 -10.417 1.00 0.00 C ATOM 0 H ILE A 22 -2.402 5.394 -13.649 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.919 2.563 -13.017 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.742 4.475 -11.497 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.313 4.641 -10.957 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.302 4.116 -9.609 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.264 2.526 -10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.772 2.270 -11.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.294 1.491 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.228 2.824 -9.730 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.636 1.773 -10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.632 2.307 -11.384 1.00 0.00 H new ATOM 312 N ASP A 23 -4.150 1.888 -14.037 1.00 0.00 N ATOM 313 CA ASP A 23 -5.277 1.505 -14.881 1.00 0.00 C ATOM 314 C ASP A 23 -6.404 0.907 -14.045 1.00 0.00 C ATOM 315 O ASP A 23 -6.167 0.069 -13.174 1.00 0.00 O ATOM 316 CB ASP A 23 -4.827 0.502 -15.945 1.00 0.00 C ATOM 317 CG ASP A 23 -4.290 1.180 -17.190 1.00 0.00 C ATOM 318 OD1 ASP A 23 -3.958 2.382 -17.115 1.00 0.00 O ATOM 319 OD2 ASP A 23 -4.200 0.509 -18.239 1.00 0.00 O ATOM 0 H ASP A 23 -3.681 1.106 -13.580 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.651 2.402 -15.374 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.057 -0.146 -15.527 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.667 -0.137 -16.217 1.00 0.00 H new ATOM 324 N ARG A 24 -7.629 1.344 -14.315 1.00 0.00 N ATOM 325 CA ARG A 24 -8.793 0.854 -13.585 1.00 0.00 C ATOM 326 C ARG A 24 -9.269 -0.480 -14.155 1.00 0.00 C ATOM 327 O ARG A 24 -10.141 -1.133 -13.584 1.00 0.00 O ATOM 328 CB ARG A 24 -9.927 1.879 -13.643 1.00 0.00 C ATOM 329 CG ARG A 24 -9.518 3.265 -13.172 1.00 0.00 C ATOM 330 CD ARG A 24 -9.742 3.434 -11.677 1.00 0.00 C ATOM 331 NE ARG A 24 -10.040 4.819 -11.322 1.00 0.00 N ATOM 332 CZ ARG A 24 -9.165 5.812 -11.437 1.00 0.00 C ATOM 333 NH1 ARG A 24 -7.944 5.575 -11.895 1.00 0.00 N ATOM 334 NH2 ARG A 24 -9.511 7.046 -11.093 1.00 0.00 N ATOM 0 H ARG A 24 -7.842 2.036 -15.033 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.502 0.703 -12.545 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.293 1.946 -14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.756 1.526 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.467 3.434 -13.405 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.090 4.018 -13.714 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.564 2.793 -11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.854 3.104 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.971 5.036 -10.966 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.674 4.628 -12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.275 6.340 -11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.450 7.233 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.838 7.808 -11.182 1.00 0.00 H new ATOM 348 N ASN A 25 -8.691 -0.875 -15.284 1.00 0.00 N ATOM 349 CA ASN A 25 -9.057 -2.130 -15.931 1.00 0.00 C ATOM 350 C ASN A 25 -7.838 -3.031 -16.100 1.00 0.00 C ATOM 351 O ASN A 25 -7.944 -4.148 -16.609 1.00 0.00 O ATOM 352 CB ASN A 25 -9.696 -1.857 -17.295 1.00 0.00 C ATOM 353 CG ASN A 25 -11.043 -1.171 -17.175 1.00 0.00 C ATOM 354 OD1 ASN A 25 -12.050 -1.807 -16.862 1.00 0.00 O ATOM 355 ND2 ASN A 25 -11.068 0.133 -17.425 1.00 0.00 N ATOM 0 H ASN A 25 -7.968 -0.345 -15.770 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.779 -2.641 -15.294 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.026 -1.235 -17.889 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.817 -2.798 -17.831 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.946 0.648 -17.361 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.209 0.620 -17.681 1.00 0.00 H new ATOM 362 N ILE A 26 -6.681 -2.539 -15.669 1.00 0.00 N ATOM 363 CA ILE A 26 -5.442 -3.301 -15.771 1.00 0.00 C ATOM 364 C ILE A 26 -4.666 -3.266 -14.459 1.00 0.00 C ATOM 365 O ILE A 26 -4.461 -2.201 -13.876 1.00 0.00 O ATOM 366 CB ILE A 26 -4.543 -2.765 -16.900 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.260 -2.873 -18.248 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.225 -3.524 -16.933 1.00 0.00 C ATOM 369 CD1 ILE A 26 -6.258 -1.763 -18.492 1.00 0.00 C ATOM 0 H ILE A 26 -6.576 -1.617 -15.246 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.722 -4.330 -15.998 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.330 -1.714 -16.706 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.518 -2.866 -19.047 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.775 -3.832 -18.300 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.600 -3.134 -17.736 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.710 -3.400 -15.980 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.419 -4.583 -17.106 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.728 -1.904 -19.466 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.022 -1.783 -17.714 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.745 -0.802 -18.472 1.00 0.00 H new ATOM 381 N ILE A 27 -4.237 -4.437 -14.000 1.00 0.00 N ATOM 382 CA ILE A 27 -3.481 -4.540 -12.759 1.00 0.00 C ATOM 383 C ILE A 27 -2.052 -5.001 -13.022 1.00 0.00 C ATOM 384 O ILE A 27 -1.794 -6.194 -13.182 1.00 0.00 O ATOM 385 CB ILE A 27 -4.150 -5.516 -11.772 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.610 -5.122 -11.542 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.389 -5.541 -10.455 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.385 -6.128 -10.720 1.00 0.00 C ATOM 0 H ILE A 27 -4.400 -5.328 -14.470 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.463 -3.544 -12.317 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.127 -6.517 -12.202 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.642 -4.154 -11.042 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.101 -4.998 -12.507 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.873 -6.235 -9.768 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.363 -5.864 -10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.384 -4.542 -10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.412 -5.784 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.384 -7.092 -11.229 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.918 -6.235 -9.741 1.00 0.00 H new ATOM 400 N GLN A 28 -1.126 -4.048 -13.063 1.00 0.00 N ATOM 401 CA GLN A 28 0.278 -4.357 -13.306 1.00 0.00 C ATOM 402 C GLN A 28 0.954 -4.854 -12.032 1.00 0.00 C ATOM 403 O GLN A 28 0.525 -4.531 -10.925 1.00 0.00 O ATOM 404 CB GLN A 28 1.009 -3.123 -13.837 1.00 0.00 C ATOM 405 CG GLN A 28 0.121 -2.191 -14.645 1.00 0.00 C ATOM 406 CD GLN A 28 -0.613 -1.187 -13.778 1.00 0.00 C ATOM 407 OE1 GLN A 28 -0.413 -1.134 -12.565 1.00 0.00 O ATOM 408 NE2 GLN A 28 -1.469 -0.383 -14.398 1.00 0.00 N ATOM 0 H GLN A 28 -1.323 -3.056 -12.931 1.00 0.00 H new ATOM 0 HA GLN A 28 0.326 -5.149 -14.054 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.431 -2.572 -12.997 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.844 -3.445 -14.459 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.730 -1.658 -15.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.605 -2.781 -15.205 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.604 -0.462 -15.406 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.992 0.313 -13.866 1.00 0.00 H new ATOM 417 N GLU A 29 2.012 -5.642 -12.198 1.00 0.00 N ATOM 418 CA GLU A 29 2.746 -6.184 -11.060 1.00 0.00 C ATOM 419 C GLU A 29 3.005 -5.102 -10.015 1.00 0.00 C ATOM 420 O GLU A 29 2.809 -5.321 -8.820 1.00 0.00 O ATOM 421 CB GLU A 29 4.072 -6.790 -11.523 1.00 0.00 C ATOM 422 CG GLU A 29 4.969 -5.806 -12.254 1.00 0.00 C ATOM 423 CD GLU A 29 6.176 -6.473 -12.884 1.00 0.00 C ATOM 424 OE1 GLU A 29 6.651 -7.485 -12.328 1.00 0.00 O ATOM 425 OE2 GLU A 29 6.646 -5.984 -13.933 1.00 0.00 O ATOM 0 H GLU A 29 2.380 -5.919 -13.108 1.00 0.00 H new ATOM 0 HA GLU A 29 2.137 -6.965 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.606 -7.180 -10.656 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.866 -7.636 -12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.392 -5.301 -13.029 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.305 -5.039 -11.556 1.00 0.00 H new ATOM 432 N GLU A 30 3.448 -3.937 -10.475 1.00 0.00 N ATOM 433 CA GLU A 30 3.736 -2.822 -9.580 1.00 0.00 C ATOM 434 C GLU A 30 2.773 -2.812 -8.396 1.00 0.00 C ATOM 435 O GLU A 30 3.190 -2.695 -7.245 1.00 0.00 O ATOM 436 CB GLU A 30 3.645 -1.495 -10.336 1.00 0.00 C ATOM 437 CG GLU A 30 4.601 -0.433 -9.819 1.00 0.00 C ATOM 438 CD GLU A 30 4.051 0.972 -9.972 1.00 0.00 C ATOM 439 OE1 GLU A 30 2.828 1.152 -9.790 1.00 0.00 O ATOM 440 OE2 GLU A 30 4.841 1.890 -10.274 1.00 0.00 O ATOM 0 H GLU A 30 3.615 -3.740 -11.462 1.00 0.00 H new ATOM 0 HA GLU A 30 4.750 -2.947 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.850 -1.673 -11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.625 -1.117 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.815 -0.623 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.547 -0.509 -10.355 1.00 0.00 H new ATOM 447 N GLU A 31 1.482 -2.936 -8.690 1.00 0.00 N ATOM 448 CA GLU A 31 0.460 -2.940 -7.650 1.00 0.00 C ATOM 449 C GLU A 31 0.430 -4.281 -6.922 1.00 0.00 C ATOM 450 O GLU A 31 0.289 -4.334 -5.700 1.00 0.00 O ATOM 451 CB GLU A 31 -0.915 -2.645 -8.254 1.00 0.00 C ATOM 452 CG GLU A 31 -0.904 -1.509 -9.264 1.00 0.00 C ATOM 453 CD GLU A 31 -0.725 -0.152 -8.612 1.00 0.00 C ATOM 454 OE1 GLU A 31 -1.688 0.336 -7.984 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.377 0.423 -8.731 1.00 0.00 O ATOM 0 H GLU A 31 1.120 -3.035 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 31 0.708 -2.160 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.291 -3.546 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.610 -2.400 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.099 -1.673 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.838 -1.518 -9.826 1.00 0.00 H new ATOM 462 N LYS A 32 0.562 -5.363 -7.681 1.00 0.00 N ATOM 463 CA LYS A 32 0.551 -6.705 -7.111 1.00 0.00 C ATOM 464 C LYS A 32 1.670 -6.870 -6.087 1.00 0.00 C ATOM 465 O LYS A 32 1.605 -7.739 -5.219 1.00 0.00 O ATOM 466 CB LYS A 32 0.698 -7.753 -8.216 1.00 0.00 C ATOM 467 CG LYS A 32 -0.477 -7.791 -9.178 1.00 0.00 C ATOM 468 CD LYS A 32 -0.223 -8.749 -10.330 1.00 0.00 C ATOM 469 CE LYS A 32 -1.426 -8.838 -11.256 1.00 0.00 C ATOM 470 NZ LYS A 32 -1.313 -9.980 -12.205 1.00 0.00 N ATOM 0 H LYS A 32 0.678 -5.337 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.404 -6.850 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.610 -7.551 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.815 -8.736 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.377 -8.094 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.661 -6.790 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.648 -8.418 -10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.009 -9.739 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.334 -8.948 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.522 -7.908 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.152 -10.006 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.461 -9.863 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.247 -10.870 -11.671 1.00 0.00 H new ATOM 484 N GLN A 33 2.694 -6.030 -6.196 1.00 0.00 N ATOM 485 CA GLN A 33 3.826 -6.083 -5.279 1.00 0.00 C ATOM 486 C GLN A 33 3.481 -5.422 -3.948 1.00 0.00 C ATOM 487 O GLN A 33 4.124 -5.679 -2.931 1.00 0.00 O ATOM 488 CB GLN A 33 5.046 -5.400 -5.900 1.00 0.00 C ATOM 489 CG GLN A 33 5.824 -6.293 -6.852 1.00 0.00 C ATOM 490 CD GLN A 33 7.258 -5.838 -7.038 1.00 0.00 C ATOM 491 OE1 GLN A 33 8.199 -6.589 -6.778 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.434 -4.602 -7.491 1.00 0.00 N ATOM 0 H GLN A 33 2.763 -5.305 -6.910 1.00 0.00 H new ATOM 0 HA GLN A 33 4.061 -7.131 -5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.719 -4.509 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.710 -5.067 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.817 -7.315 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.323 -6.309 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.626 -4.013 -7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.377 -4.241 -7.636 1.00 0.00 H new ATOM 501 N ALA A 34 2.462 -4.569 -3.964 1.00 0.00 N ATOM 502 CA ALA A 34 2.030 -3.872 -2.759 1.00 0.00 C ATOM 503 C ALA A 34 0.702 -4.424 -2.251 1.00 0.00 C ATOM 504 O ALA A 34 0.325 -4.199 -1.101 1.00 0.00 O ATOM 505 CB ALA A 34 1.916 -2.379 -3.025 1.00 0.00 C ATOM 0 H ALA A 34 1.920 -4.344 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 34 2.781 -4.036 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.592 -1.871 -2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.886 -1.989 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.187 -2.205 -3.817 1.00 0.00 H new ATOM 511 N ILE A 35 -0.002 -5.147 -3.116 1.00 0.00 N ATOM 512 CA ILE A 35 -1.287 -5.731 -2.754 1.00 0.00 C ATOM 513 C ILE A 35 -1.331 -7.217 -3.095 1.00 0.00 C ATOM 514 O ILE A 35 -2.302 -7.721 -3.659 1.00 0.00 O ATOM 515 CB ILE A 35 -2.451 -5.018 -3.468 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.153 -3.523 -3.606 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.751 -5.236 -2.709 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.020 -2.808 -2.280 1.00 0.00 C ATOM 0 H ILE A 35 0.296 -5.342 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.399 -5.604 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.560 -5.442 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.230 -3.396 -4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.949 -3.054 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.564 -4.726 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.967 -6.303 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.655 -4.835 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.809 -1.753 -2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.950 -2.904 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.205 -3.251 -1.708 1.00 0.00 H new ATOM 530 N PRO A 36 -0.255 -7.936 -2.743 1.00 0.00 N ATOM 531 CA PRO A 36 -0.147 -9.376 -3.000 1.00 0.00 C ATOM 532 C PRO A 36 -1.099 -10.192 -2.132 1.00 0.00 C ATOM 533 O PRO A 36 -1.204 -11.408 -2.285 1.00 0.00 O ATOM 534 CB PRO A 36 1.307 -9.692 -2.643 1.00 0.00 C ATOM 535 CG PRO A 36 1.695 -8.636 -1.665 1.00 0.00 C ATOM 536 CD PRO A 36 0.939 -7.401 -2.068 1.00 0.00 C ATOM 0 HA PRO A 36 -0.412 -9.628 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.401 -10.687 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.946 -9.668 -3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.442 -8.934 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.770 -8.460 -1.687 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.673 -6.793 -1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.527 -6.769 -2.733 1.00 0.00 H new ATOM 544 N GLU A 37 -1.790 -9.515 -1.220 1.00 0.00 N ATOM 545 CA GLU A 37 -2.732 -10.179 -0.327 1.00 0.00 C ATOM 546 C GLU A 37 -3.989 -10.603 -1.081 1.00 0.00 C ATOM 547 O GLU A 37 -4.421 -11.753 -0.992 1.00 0.00 O ATOM 548 CB GLU A 37 -3.108 -9.255 0.833 1.00 0.00 C ATOM 549 CG GLU A 37 -4.414 -9.631 1.512 1.00 0.00 C ATOM 550 CD GLU A 37 -4.435 -9.262 2.982 1.00 0.00 C ATOM 551 OE1 GLU A 37 -3.516 -9.688 3.713 1.00 0.00 O ATOM 552 OE2 GLU A 37 -5.368 -8.547 3.402 1.00 0.00 O ATOM 0 H GLU A 37 -1.715 -8.507 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.249 -11.071 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.307 -9.269 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.182 -8.233 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.240 -9.132 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.577 -10.704 1.408 1.00 0.00 H new ATOM 559 N PHE A 38 -4.571 -9.667 -1.824 1.00 0.00 N ATOM 560 CA PHE A 38 -5.779 -9.943 -2.592 1.00 0.00 C ATOM 561 C PHE A 38 -5.491 -10.923 -3.726 1.00 0.00 C ATOM 562 O PHE A 38 -6.381 -11.640 -4.182 1.00 0.00 O ATOM 563 CB PHE A 38 -6.355 -8.644 -3.160 1.00 0.00 C ATOM 564 CG PHE A 38 -7.264 -7.924 -2.207 1.00 0.00 C ATOM 565 CD1 PHE A 38 -8.572 -8.343 -2.025 1.00 0.00 C ATOM 566 CD2 PHE A 38 -6.811 -6.826 -1.492 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.412 -7.683 -1.148 1.00 0.00 C ATOM 568 CE2 PHE A 38 -7.646 -6.162 -0.613 1.00 0.00 C ATOM 569 CZ PHE A 38 -8.948 -6.590 -0.441 1.00 0.00 C ATOM 0 H PHE A 38 -4.225 -8.711 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.510 -10.395 -1.922 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.534 -7.982 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.905 -8.869 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.940 -9.196 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.794 -6.486 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.429 -8.021 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.280 -5.309 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.602 -6.072 0.245 1.00 0.00 H new ATOM 579 N PHE A 39 -4.241 -10.948 -4.175 1.00 0.00 N ATOM 580 CA PHE A 39 -3.834 -11.838 -5.256 1.00 0.00 C ATOM 581 C PHE A 39 -3.227 -13.124 -4.702 1.00 0.00 C ATOM 582 O PHE A 39 -2.472 -13.811 -5.388 1.00 0.00 O ATOM 583 CB PHE A 39 -2.827 -11.138 -6.170 1.00 0.00 C ATOM 584 CG PHE A 39 -3.286 -9.789 -6.647 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.434 -9.664 -7.412 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.568 -8.647 -6.330 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.859 -8.425 -7.851 1.00 0.00 C ATOM 588 CE2 PHE A 39 -2.989 -7.405 -6.766 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.135 -7.294 -7.529 1.00 0.00 C ATOM 0 H PHE A 39 -3.492 -10.362 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.721 -12.095 -5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.883 -11.024 -5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.631 -11.773 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.003 -10.545 -7.668 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.670 -8.728 -5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.757 -8.341 -8.446 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.422 -6.522 -6.510 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.464 -6.325 -7.873 1.00 0.00 H new ATOM 599 N GLU A 40 -3.565 -13.441 -3.456 1.00 0.00 N ATOM 600 CA GLU A 40 -3.052 -14.644 -2.809 1.00 0.00 C ATOM 601 C GLU A 40 -3.656 -15.898 -3.435 1.00 0.00 C ATOM 602 O GLU A 40 -2.945 -16.848 -3.759 1.00 0.00 O ATOM 603 CB GLU A 40 -3.355 -14.612 -1.310 1.00 0.00 C ATOM 604 CG GLU A 40 -2.284 -13.915 -0.488 1.00 0.00 C ATOM 605 CD GLU A 40 -2.654 -13.806 0.979 1.00 0.00 C ATOM 606 OE1 GLU A 40 -3.114 -14.816 1.551 1.00 0.00 O ATOM 607 OE2 GLU A 40 -2.484 -12.711 1.555 1.00 0.00 O ATOM 0 H GLU A 40 -4.191 -12.883 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.972 -14.671 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.308 -14.108 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.471 -15.634 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.346 -14.461 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.114 -12.917 -0.891 1.00 0.00 H new ATOM 614 N GLY A 41 -4.975 -15.892 -3.602 1.00 0.00 N ATOM 615 CA GLY A 41 -5.654 -17.034 -4.187 1.00 0.00 C ATOM 616 C GLY A 41 -6.555 -17.743 -3.196 1.00 0.00 C ATOM 617 O GLY A 41 -6.587 -18.972 -3.145 1.00 0.00 O ATOM 0 H GLY A 41 -5.585 -15.117 -3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.247 -16.703 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.913 -17.737 -4.568 1.00 0.00 H new ATOM 621 N ARG A 42 -7.289 -16.966 -2.405 1.00 0.00 N ATOM 622 CA ARG A 42 -8.193 -17.528 -1.409 1.00 0.00 C ATOM 623 C ARG A 42 -9.648 -17.260 -1.782 1.00 0.00 C ATOM 624 O ARG A 42 -9.930 -16.578 -2.768 1.00 0.00 O ATOM 625 CB ARG A 42 -7.893 -16.941 -0.028 1.00 0.00 C ATOM 626 CG ARG A 42 -6.450 -17.127 0.412 1.00 0.00 C ATOM 627 CD ARG A 42 -6.136 -18.589 0.687 1.00 0.00 C ATOM 628 NE ARG A 42 -6.758 -19.059 1.922 1.00 0.00 N ATOM 629 CZ ARG A 42 -6.258 -18.827 3.131 1.00 0.00 C ATOM 630 NH1 ARG A 42 -5.136 -18.134 3.266 1.00 0.00 N ATOM 631 NH2 ARG A 42 -6.882 -19.288 4.208 1.00 0.00 N ATOM 0 H ARG A 42 -7.275 -15.947 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.036 -18.606 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.127 -15.876 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.551 -17.406 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.781 -16.749 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.264 -16.538 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.483 -19.198 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.056 -18.722 0.751 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.623 -19.595 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.654 -17.777 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.754 -17.957 4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.746 -19.821 4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.497 -19.109 5.136 1.00 0.00 H new ATOM 645 N GLN A 43 -10.567 -17.800 -0.989 1.00 0.00 N ATOM 646 CA GLN A 43 -11.992 -17.620 -1.237 1.00 0.00 C ATOM 647 C GLN A 43 -12.457 -16.245 -0.768 1.00 0.00 C ATOM 648 O GLN A 43 -13.289 -15.608 -1.412 1.00 0.00 O ATOM 649 CB GLN A 43 -12.797 -18.712 -0.531 1.00 0.00 C ATOM 650 CG GLN A 43 -12.730 -18.632 0.986 1.00 0.00 C ATOM 651 CD GLN A 43 -13.782 -17.709 1.569 1.00 0.00 C ATOM 652 OE1 GLN A 43 -13.464 -16.771 2.301 1.00 0.00 O ATOM 653 NE2 GLN A 43 -15.043 -17.970 1.246 1.00 0.00 N ATOM 0 H GLN A 43 -10.350 -18.366 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.160 -17.693 -2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.839 -18.644 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.430 -19.687 -0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.856 -19.631 1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.741 -18.284 1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.261 -18.758 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.794 -17.382 1.608 1.00 0.00 H new ATOM 662 N ALA A 44 -11.914 -15.796 0.359 1.00 0.00 N ATOM 663 CA ALA A 44 -12.272 -14.496 0.913 1.00 0.00 C ATOM 664 C ALA A 44 -11.655 -13.363 0.100 1.00 0.00 C ATOM 665 O ALA A 44 -12.341 -12.416 -0.285 1.00 0.00 O ATOM 666 CB ALA A 44 -11.833 -14.404 2.367 1.00 0.00 C ATOM 0 H ALA A 44 -11.225 -16.313 0.906 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.356 -14.394 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.106 -13.428 2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.325 -15.185 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.752 -14.532 2.430 1.00 0.00 H new ATOM 672 N LYS A 45 -10.356 -13.466 -0.159 1.00 0.00 N ATOM 673 CA LYS A 45 -9.646 -12.451 -0.927 1.00 0.00 C ATOM 674 C LYS A 45 -9.826 -12.677 -2.425 1.00 0.00 C ATOM 675 O LYS A 45 -9.738 -13.806 -2.909 1.00 0.00 O ATOM 676 CB LYS A 45 -8.157 -12.464 -0.575 1.00 0.00 C ATOM 677 CG LYS A 45 -7.834 -11.752 0.728 1.00 0.00 C ATOM 678 CD LYS A 45 -7.974 -10.245 0.589 1.00 0.00 C ATOM 679 CE LYS A 45 -8.329 -9.594 1.917 1.00 0.00 C ATOM 680 NZ LYS A 45 -9.731 -9.890 2.323 1.00 0.00 N ATOM 0 H LYS A 45 -9.773 -14.243 0.152 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.066 -11.478 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.817 -13.497 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.597 -11.995 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.500 -12.109 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.817 -11.997 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.041 -9.825 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.745 -10.016 -0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.645 -9.947 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.193 -8.515 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.040 -9.197 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.353 -9.834 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.780 -10.847 2.728 1.00 0.00 H new ATOM 694 N THR A 46 -10.078 -11.595 -3.156 1.00 0.00 N ATOM 695 CA THR A 46 -10.271 -11.675 -4.598 1.00 0.00 C ATOM 696 C THR A 46 -9.764 -10.416 -5.292 1.00 0.00 C ATOM 697 O THR A 46 -9.816 -9.314 -4.746 1.00 0.00 O ATOM 698 CB THR A 46 -11.754 -11.883 -4.956 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.492 -10.683 -4.703 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.350 -13.029 -4.153 1.00 0.00 C ATOM 0 H THR A 46 -10.153 -10.653 -2.772 1.00 0.00 H new ATOM 0 HA THR A 46 -9.697 -12.534 -4.946 1.00 0.00 H new ATOM 0 HB THR A 46 -11.817 -12.132 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.434 -10.823 -4.935 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.398 -13.156 -4.424 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.805 -13.948 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.275 -12.805 -3.089 1.00 0.00 H new ATOM 708 N PRO A 47 -9.261 -10.580 -6.525 1.00 0.00 N ATOM 709 CA PRO A 47 -8.737 -9.466 -7.320 1.00 0.00 C ATOM 710 C PRO A 47 -9.836 -8.519 -7.787 1.00 0.00 C ATOM 711 O PRO A 47 -9.593 -7.333 -8.009 1.00 0.00 O ATOM 712 CB PRO A 47 -8.084 -10.161 -8.517 1.00 0.00 C ATOM 713 CG PRO A 47 -8.804 -11.460 -8.639 1.00 0.00 C ATOM 714 CD PRO A 47 -9.168 -11.865 -7.237 1.00 0.00 C ATOM 0 HA PRO A 47 -8.052 -8.843 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.185 -9.565 -9.424 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.017 -10.313 -8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.695 -11.356 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.173 -12.213 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.112 -12.410 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.411 -12.515 -6.797 1.00 0.00 H new ATOM 722 N GLU A 48 -11.046 -9.050 -7.935 1.00 0.00 N ATOM 723 CA GLU A 48 -12.182 -8.250 -8.377 1.00 0.00 C ATOM 724 C GLU A 48 -12.568 -7.221 -7.318 1.00 0.00 C ATOM 725 O GLU A 48 -13.080 -6.148 -7.638 1.00 0.00 O ATOM 726 CB GLU A 48 -13.379 -9.152 -8.687 1.00 0.00 C ATOM 727 CG GLU A 48 -13.267 -9.876 -10.018 1.00 0.00 C ATOM 728 CD GLU A 48 -14.367 -10.900 -10.219 1.00 0.00 C ATOM 729 OE1 GLU A 48 -15.520 -10.492 -10.470 1.00 0.00 O ATOM 730 OE2 GLU A 48 -14.073 -12.111 -10.126 1.00 0.00 O ATOM 0 H GLU A 48 -11.264 -10.030 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.890 -7.721 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.484 -9.888 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.287 -8.549 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.302 -9.147 -10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.298 -10.372 -10.077 1.00 0.00 H new ATOM 737 N ARG A 49 -12.318 -7.556 -6.057 1.00 0.00 N ATOM 738 CA ARG A 49 -12.640 -6.663 -4.950 1.00 0.00 C ATOM 739 C ARG A 49 -11.627 -5.525 -4.858 1.00 0.00 C ATOM 740 O ARG A 49 -11.998 -4.360 -4.714 1.00 0.00 O ATOM 741 CB ARG A 49 -12.673 -7.439 -3.633 1.00 0.00 C ATOM 742 CG ARG A 49 -14.042 -8.006 -3.294 1.00 0.00 C ATOM 743 CD ARG A 49 -13.938 -9.170 -2.321 1.00 0.00 C ATOM 744 NE ARG A 49 -15.116 -9.276 -1.465 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.465 -10.388 -0.828 1.00 0.00 C ATOM 746 NH1 ARG A 49 -14.728 -11.484 -0.949 1.00 0.00 N ATOM 747 NH2 ARG A 49 -16.552 -10.405 -0.067 1.00 0.00 N ATOM 0 H ARG A 49 -11.893 -8.440 -5.776 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.625 -6.236 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.953 -8.256 -3.684 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.351 -6.781 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.664 -7.223 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.536 -8.337 -4.207 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.811 -10.098 -2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.050 -9.046 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.704 -8.450 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.891 -11.474 -1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.998 -12.337 -0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.120 -9.564 0.029 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.819 -11.260 0.422 1.00 0.00 H new ATOM 761 N TYR A 50 -10.347 -5.872 -4.940 1.00 0.00 N ATOM 762 CA TYR A 50 -9.281 -4.880 -4.862 1.00 0.00 C ATOM 763 C TYR A 50 -9.473 -3.790 -5.913 1.00 0.00 C ATOM 764 O TYR A 50 -9.085 -2.639 -5.708 1.00 0.00 O ATOM 765 CB TYR A 50 -7.919 -5.550 -5.050 1.00 0.00 C ATOM 766 CG TYR A 50 -6.827 -4.594 -5.473 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.227 -3.743 -4.554 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.394 -4.543 -6.792 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.229 -2.867 -4.936 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.396 -3.672 -7.184 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.817 -2.835 -6.252 1.00 0.00 C ATOM 772 OH TYR A 50 -3.823 -1.966 -6.637 1.00 0.00 O ATOM 0 H TYR A 50 -10.023 -6.832 -5.060 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.319 -4.419 -3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.628 -6.030 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.011 -6.337 -5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.546 -3.766 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.846 -5.196 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.774 -2.211 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.071 -3.646 -8.214 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.360 -1.626 -5.843 1.00 0.00 H new ATOM 782 N LEU A 51 -10.074 -4.162 -7.038 1.00 0.00 N ATOM 783 CA LEU A 51 -10.319 -3.217 -8.122 1.00 0.00 C ATOM 784 C LEU A 51 -11.414 -2.225 -7.742 1.00 0.00 C ATOM 785 O LEU A 51 -11.232 -1.012 -7.849 1.00 0.00 O ATOM 786 CB LEU A 51 -10.712 -3.964 -9.397 1.00 0.00 C ATOM 787 CG LEU A 51 -9.557 -4.481 -10.255 1.00 0.00 C ATOM 788 CD1 LEU A 51 -10.084 -5.142 -11.519 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.602 -3.348 -10.602 1.00 0.00 C ATOM 0 H LEU A 51 -10.400 -5.110 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.398 -2.662 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.339 -4.811 -9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.324 -3.301 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.010 -5.228 -9.681 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.247 -5.504 -12.117 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.727 -5.980 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.656 -4.417 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.786 -3.734 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.138 -2.578 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.197 -2.920 -9.685 1.00 0.00 H new ATOM 801 N LYS A 52 -12.551 -2.748 -7.297 1.00 0.00 N ATOM 802 CA LYS A 52 -13.675 -1.910 -6.898 1.00 0.00 C ATOM 803 C LYS A 52 -13.256 -0.916 -5.819 1.00 0.00 C ATOM 804 O LYS A 52 -13.567 0.273 -5.904 1.00 0.00 O ATOM 805 CB LYS A 52 -14.828 -2.777 -6.387 1.00 0.00 C ATOM 806 CG LYS A 52 -16.139 -2.023 -6.245 1.00 0.00 C ATOM 807 CD LYS A 52 -16.958 -2.084 -7.523 1.00 0.00 C ATOM 808 CE LYS A 52 -17.959 -0.940 -7.599 1.00 0.00 C ATOM 809 NZ LYS A 52 -19.125 -1.279 -8.461 1.00 0.00 N ATOM 0 H LYS A 52 -12.719 -3.750 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.008 -1.352 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.972 -3.614 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.554 -3.198 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.715 -2.445 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.936 -0.983 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.292 -2.044 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.487 -3.036 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.308 -0.696 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.465 -0.051 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.783 -0.474 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.795 -1.487 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.612 -2.112 -8.074 1.00 0.00 H new ATOM 823 N ILE A 53 -12.549 -1.409 -4.809 1.00 0.00 N ATOM 824 CA ILE A 53 -12.086 -0.563 -3.716 1.00 0.00 C ATOM 825 C ILE A 53 -11.072 0.464 -4.208 1.00 0.00 C ATOM 826 O ILE A 53 -11.169 1.649 -3.888 1.00 0.00 O ATOM 827 CB ILE A 53 -11.450 -1.397 -2.588 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.378 -2.545 -2.187 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.139 -0.516 -1.388 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.645 -3.760 -1.663 1.00 0.00 C ATOM 0 H ILE A 53 -12.284 -2.390 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.962 -0.046 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.515 -1.822 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.071 -2.191 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.976 -2.836 -3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.690 -1.120 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.443 0.269 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -12.060 -0.065 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.366 -4.534 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.972 -4.139 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.068 -3.484 -0.780 1.00 0.00 H new ATOM 842 N ARG A 54 -10.101 0.002 -4.988 1.00 0.00 N ATOM 843 CA ARG A 54 -9.069 0.880 -5.525 1.00 0.00 C ATOM 844 C ARG A 54 -9.671 1.905 -6.482 1.00 0.00 C ATOM 845 O ARG A 54 -9.650 3.106 -6.214 1.00 0.00 O ATOM 846 CB ARG A 54 -7.997 0.061 -6.248 1.00 0.00 C ATOM 847 CG ARG A 54 -6.914 0.910 -6.892 1.00 0.00 C ATOM 848 CD ARG A 54 -6.154 0.131 -7.954 1.00 0.00 C ATOM 849 NE ARG A 54 -6.998 -0.200 -9.099 1.00 0.00 N ATOM 850 CZ ARG A 54 -6.534 -0.730 -10.225 1.00 0.00 C ATOM 851 NH1 ARG A 54 -5.240 -0.989 -10.356 1.00 0.00 N ATOM 852 NH2 ARG A 54 -7.365 -1.004 -11.223 1.00 0.00 N ATOM 0 H ARG A 54 -10.007 -0.976 -5.262 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.610 1.411 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.535 -0.625 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.474 -0.549 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.363 1.796 -7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.219 1.257 -6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.299 0.717 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.759 -0.786 -7.518 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.999 -0.014 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.598 -0.781 -9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.886 -1.396 -11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.361 -0.808 -11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.007 -1.411 -12.087 1.00 0.00 H new ATOM 866 N ASN A 55 -10.207 1.422 -7.598 1.00 0.00 N ATOM 867 CA ASN A 55 -10.815 2.297 -8.595 1.00 0.00 C ATOM 868 C ASN A 55 -11.647 3.387 -7.927 1.00 0.00 C ATOM 869 O ASN A 55 -11.761 4.499 -8.442 1.00 0.00 O ATOM 870 CB ASN A 55 -11.690 1.484 -9.551 1.00 0.00 C ATOM 871 CG ASN A 55 -10.912 0.395 -10.263 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.816 0.024 -9.843 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.476 -0.121 -11.349 1.00 0.00 N ATOM 0 H ASN A 55 -10.233 0.430 -7.835 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.015 2.773 -9.162 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.512 1.034 -8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.134 2.152 -10.290 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.999 -0.856 -11.871 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.386 0.217 -11.661 1.00 0.00 H new ATOM 880 N TYR A 56 -12.227 3.060 -6.777 1.00 0.00 N ATOM 881 CA TYR A 56 -13.051 4.010 -6.040 1.00 0.00 C ATOM 882 C TYR A 56 -12.199 5.137 -5.463 1.00 0.00 C ATOM 883 O TYR A 56 -12.511 6.316 -5.633 1.00 0.00 O ATOM 884 CB TYR A 56 -13.804 3.298 -4.915 1.00 0.00 C ATOM 885 CG TYR A 56 -14.633 4.228 -4.057 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.027 5.132 -3.193 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.021 4.203 -4.110 1.00 0.00 C ATOM 888 CE1 TYR A 56 -14.779 5.983 -2.407 1.00 0.00 C ATOM 889 CE2 TYR A 56 -16.781 5.051 -3.329 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.156 5.939 -2.479 1.00 0.00 C ATOM 891 OH TYR A 56 -16.910 6.785 -1.699 1.00 0.00 O ATOM 0 H TYR A 56 -12.141 2.144 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.772 4.442 -6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.456 2.540 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.086 2.777 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -12.949 5.170 -3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.514 3.508 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -14.292 6.679 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -17.859 5.019 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.862 6.627 -1.871 1.00 0.00 H new ATOM 901 N ILE A 57 -11.122 4.765 -4.780 1.00 0.00 N ATOM 902 CA ILE A 57 -10.223 5.743 -4.179 1.00 0.00 C ATOM 903 C ILE A 57 -9.654 6.687 -5.233 1.00 0.00 C ATOM 904 O ILE A 57 -9.818 7.904 -5.144 1.00 0.00 O ATOM 905 CB ILE A 57 -9.060 5.058 -3.437 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.566 4.388 -2.158 1.00 0.00 C ATOM 907 CG2 ILE A 57 -7.968 6.068 -3.117 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.528 3.524 -1.478 1.00 0.00 C ATOM 0 H ILE A 57 -10.850 3.794 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.813 6.315 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.638 4.289 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.899 5.158 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.436 3.776 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.153 5.569 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.591 6.502 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.376 6.857 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.956 3.081 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.212 2.732 -2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.667 4.135 -1.207 1.00 0.00 H new ATOM 920 N LEU A 58 -8.987 6.117 -6.230 1.00 0.00 N ATOM 921 CA LEU A 58 -8.395 6.908 -7.304 1.00 0.00 C ATOM 922 C LEU A 58 -9.380 7.952 -7.819 1.00 0.00 C ATOM 923 O LEU A 58 -9.004 9.092 -8.094 1.00 0.00 O ATOM 924 CB LEU A 58 -7.954 5.997 -8.451 1.00 0.00 C ATOM 925 CG LEU A 58 -6.581 5.341 -8.298 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.430 4.183 -9.273 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.475 6.364 -8.507 1.00 0.00 C ATOM 0 H LEU A 58 -8.842 5.111 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.523 7.425 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.699 5.210 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.955 6.580 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.499 4.948 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.447 3.729 -9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.201 3.438 -9.076 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.534 4.551 -10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.505 5.879 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.555 6.787 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.571 7.160 -7.768 1.00 0.00 H new ATOM 939 N ASP A 59 -10.642 7.556 -7.945 1.00 0.00 N ATOM 940 CA ASP A 59 -11.682 8.459 -8.423 1.00 0.00 C ATOM 941 C ASP A 59 -11.793 9.686 -7.524 1.00 0.00 C ATOM 942 O ASP A 59 -11.693 10.820 -7.991 1.00 0.00 O ATOM 943 CB ASP A 59 -13.027 7.733 -8.485 1.00 0.00 C ATOM 944 CG ASP A 59 -13.973 8.352 -9.495 1.00 0.00 C ATOM 945 OD1 ASP A 59 -13.806 8.089 -10.704 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.881 9.100 -9.077 1.00 0.00 O ATOM 0 H ASP A 59 -10.969 6.616 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.409 8.790 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.860 6.687 -8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.491 7.750 -7.499 1.00 0.00 H new ATOM 951 N GLN A 60 -12.000 9.450 -6.232 1.00 0.00 N ATOM 952 CA GLN A 60 -12.125 10.537 -5.269 1.00 0.00 C ATOM 953 C GLN A 60 -10.877 11.413 -5.269 1.00 0.00 C ATOM 954 O GLN A 60 -10.963 12.634 -5.143 1.00 0.00 O ATOM 955 CB GLN A 60 -12.369 9.977 -3.866 1.00 0.00 C ATOM 956 CG GLN A 60 -13.501 8.964 -3.803 1.00 0.00 C ATOM 957 CD GLN A 60 -14.828 9.543 -4.253 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.230 10.620 -3.812 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.516 8.830 -5.137 1.00 0.00 N ATOM 0 H GLN A 60 -12.085 8.517 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.977 11.151 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.453 9.508 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.592 10.801 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.252 8.107 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.597 8.596 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.145 7.942 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.415 9.170 -5.477 1.00 0.00 H new ATOM 968 N TRP A 61 -9.717 10.781 -5.412 1.00 0.00 N ATOM 969 CA TRP A 61 -8.450 11.503 -5.429 1.00 0.00 C ATOM 970 C TRP A 61 -8.498 12.664 -6.417 1.00 0.00 C ATOM 971 O TRP A 61 -8.232 13.809 -6.054 1.00 0.00 O ATOM 972 CB TRP A 61 -7.305 10.556 -5.791 1.00 0.00 C ATOM 973 CG TRP A 61 -6.151 11.246 -6.453 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.570 10.913 -7.644 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.437 12.385 -5.961 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.538 11.776 -7.921 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.436 12.689 -6.905 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.546 13.180 -4.817 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.553 13.752 -6.737 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.669 14.234 -4.651 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.683 14.513 -5.607 1.00 0.00 C ATOM 0 H TRP A 61 -9.628 9.770 -5.518 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.277 11.907 -4.431 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.953 10.061 -4.886 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.683 9.778 -6.454 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.877 10.092 -8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.944 11.742 -8.749 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.303 12.974 -4.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.792 13.968 -7.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.744 14.854 -3.770 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.013 15.345 -5.449 1.00 0.00 H new ATOM 992 N GLU A 62 -8.840 12.359 -7.665 1.00 0.00 N ATOM 993 CA GLU A 62 -8.922 13.379 -8.704 1.00 0.00 C ATOM 994 C GLU A 62 -10.072 14.344 -8.430 1.00 0.00 C ATOM 995 O GLU A 62 -9.973 15.540 -8.706 1.00 0.00 O ATOM 996 CB GLU A 62 -9.104 12.727 -10.076 1.00 0.00 C ATOM 997 CG GLU A 62 -8.450 11.361 -10.193 1.00 0.00 C ATOM 998 CD GLU A 62 -8.017 11.041 -11.610 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.865 11.121 -12.523 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.828 10.711 -11.806 1.00 0.00 O ATOM 0 H GLU A 62 -9.064 11.415 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.989 13.943 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.170 12.629 -10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.690 13.385 -10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.583 11.320 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.148 10.598 -9.849 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.163 13.815 -7.885 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.332 14.629 -7.573 1.00 0.00 C ATOM 1009 C ILE A 63 -11.969 15.775 -6.636 1.00 0.00 C ATOM 1010 O ILE A 63 -12.671 16.785 -6.573 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.448 13.786 -6.929 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.091 12.868 -7.971 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.494 14.690 -6.294 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -14.880 11.728 -7.366 1.00 0.00 C ATOM 0 H ILE A 63 -11.262 12.827 -7.651 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.695 15.037 -8.517 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.009 13.165 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.751 13.459 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.311 12.459 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.277 14.080 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.025 15.305 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.931 15.334 -7.058 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.307 11.119 -8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.220 11.114 -6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.682 12.129 -6.746 1.00 0.00 H new ATOM 1026 N CYS A 64 -10.868 15.613 -5.910 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.411 16.635 -4.975 1.00 0.00 C ATOM 1028 C CYS A 64 -9.131 17.296 -5.476 1.00 0.00 C ATOM 1029 O CYS A 64 -8.910 18.488 -5.262 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.177 16.023 -3.593 1.00 0.00 C ATOM 1031 SG CYS A 64 -11.642 16.015 -2.532 1.00 0.00 S ATOM 0 H CYS A 64 -10.275 14.784 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.186 17.397 -4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.825 14.999 -3.716 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.382 16.576 -3.092 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.345 15.476 -1.387 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.289 16.513 -6.141 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.029 17.020 -6.673 1.00 0.00 C ATOM 1039 C LYS A 65 -7.227 18.379 -7.337 1.00 0.00 C ATOM 1040 O LYS A 65 -8.316 18.718 -7.800 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.440 16.029 -7.679 1.00 0.00 C ATOM 1042 CG LYS A 65 -6.861 16.297 -9.114 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.206 15.323 -10.078 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.762 15.707 -10.364 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.322 15.245 -11.709 1.00 0.00 N ATOM 0 H LYS A 65 -8.456 15.524 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.334 17.139 -5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.352 16.063 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.744 15.019 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.945 16.219 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.593 17.317 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.240 14.317 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.769 15.299 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.654 16.790 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.113 15.275 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.333 15.526 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.401 14.209 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.925 15.677 -12.439 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.150 19.176 -7.388 1.00 0.00 N ATOM 1060 CA PRO A 66 -4.848 18.784 -6.839 1.00 0.00 C ATOM 1061 C PRO A 66 -4.854 18.725 -5.316 1.00 0.00 C ATOM 1062 O PRO A 66 -3.862 18.346 -4.694 1.00 0.00 O ATOM 1063 CB PRO A 66 -3.909 19.890 -7.328 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.793 21.072 -7.537 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.120 20.523 -7.983 1.00 0.00 C ATOM 0 HA PRO A 66 -4.555 17.784 -7.160 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.131 20.102 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.406 19.603 -8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.898 21.648 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.376 21.743 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.948 21.137 -7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.194 20.484 -9.070 1.00 0.00 H new ATOM 1073 N LYS A 67 -5.979 19.103 -4.718 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.117 19.092 -3.267 1.00 0.00 C ATOM 1075 C LYS A 67 -5.907 17.687 -2.711 1.00 0.00 C ATOM 1076 O LYS A 67 -6.136 16.695 -3.403 1.00 0.00 O ATOM 1077 CB LYS A 67 -7.498 19.612 -2.861 1.00 0.00 C ATOM 1078 CG LYS A 67 -7.850 20.952 -3.482 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.075 22.088 -2.836 1.00 0.00 C ATOM 1080 CE LYS A 67 -7.394 23.423 -3.490 1.00 0.00 C ATOM 1081 NZ LYS A 67 -8.828 23.790 -3.332 1.00 0.00 N ATOM 0 H LYS A 67 -6.810 19.421 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.352 19.747 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.252 18.879 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.538 19.702 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.636 20.926 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.919 21.133 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.315 22.136 -1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.006 21.890 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.770 24.201 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.146 23.376 -4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.964 24.784 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.411 23.180 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.112 23.663 -2.340 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.472 17.610 -1.459 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.231 16.327 -0.811 1.00 0.00 C ATOM 1097 C TYR A 68 -6.542 15.590 -0.556 1.00 0.00 C ATOM 1098 O TYR A 68 -7.602 16.206 -0.439 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.483 16.530 0.508 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.319 15.260 1.313 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.346 14.325 0.982 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -5.136 14.997 2.406 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -3.194 13.164 1.714 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.989 13.839 3.145 1.00 0.00 C ATOM 1105 CZ TYR A 68 -4.017 12.925 2.794 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.867 11.770 3.527 1.00 0.00 O ATOM 0 H TYR A 68 -5.279 18.422 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.619 15.721 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.498 16.946 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.017 17.265 1.110 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.698 14.509 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.899 15.710 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.434 12.447 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.631 13.650 3.993 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.012 11.795 4.005 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.462 14.267 -0.471 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.642 13.443 -0.229 1.00 0.00 C ATOM 1118 C LEU A 69 -7.450 12.565 1.003 1.00 0.00 C ATOM 1119 O LEU A 69 -6.407 11.935 1.171 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.938 12.570 -1.451 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.858 11.373 -1.213 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.316 11.789 -1.326 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.543 10.255 -2.196 1.00 0.00 C ATOM 0 H LEU A 69 -5.593 13.741 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.488 14.107 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.384 13.198 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.992 12.202 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.685 11.002 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.956 10.923 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.534 12.556 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.505 12.187 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.208 9.411 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.687 10.615 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.508 9.937 -2.066 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.465 12.527 1.860 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.409 11.724 3.076 1.00 0.00 C ATOM 1137 C ASN A 70 -9.123 10.391 2.882 1.00 0.00 C ATOM 1138 O ASN A 70 -10.272 10.347 2.440 1.00 0.00 O ATOM 1139 CB ASN A 70 -9.036 12.486 4.245 1.00 0.00 C ATOM 1140 CG ASN A 70 -8.213 13.691 4.659 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -8.251 14.735 4.008 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -7.464 13.550 5.746 1.00 0.00 N ATOM 0 H ASN A 70 -9.336 13.043 1.735 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.361 11.525 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.038 12.812 3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.145 11.814 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.889 14.326 6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.464 12.666 6.254 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.436 9.303 3.215 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.004 7.967 3.079 1.00 0.00 C ATOM 1151 C LYS A 71 -10.334 7.864 3.819 1.00 0.00 C ATOM 1152 O LYS A 71 -11.246 7.160 3.383 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.027 6.918 3.615 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.652 7.125 5.072 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.566 6.157 5.511 1.00 0.00 C ATOM 1156 CE LYS A 71 -6.504 6.039 7.026 1.00 0.00 C ATOM 1157 NZ LYS A 71 -5.579 7.041 7.623 1.00 0.00 N ATOM 0 H LYS A 71 -7.484 9.321 3.581 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.182 7.781 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.470 5.929 3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.121 6.934 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.309 8.149 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.534 6.992 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.754 5.176 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.601 6.494 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.503 6.174 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.178 5.036 7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.565 6.928 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.621 6.897 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.904 7.999 7.384 1.00 0.00 H new ATOM 1171 N THR A 72 -10.439 8.570 4.940 1.00 0.00 N ATOM 1172 CA THR A 72 -11.657 8.558 5.740 1.00 0.00 C ATOM 1173 C THR A 72 -12.893 8.720 4.863 1.00 0.00 C ATOM 1174 O THR A 72 -14.002 8.370 5.266 1.00 0.00 O ATOM 1175 CB THR A 72 -11.644 9.675 6.801 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.415 9.640 7.535 1.00 0.00 O ATOM 1177 CG2 THR A 72 -12.817 9.527 7.758 1.00 0.00 C ATOM 0 H THR A 72 -9.694 9.158 5.315 1.00 0.00 H new ATOM 0 HA THR A 72 -11.695 7.591 6.242 1.00 0.00 H new ATOM 0 HB THR A 72 -11.733 10.633 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.414 10.354 8.206 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.786 10.327 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.751 9.585 7.200 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.755 8.563 8.263 1.00 0.00 H new ATOM 1185 N SER A 73 -12.694 9.251 3.661 1.00 0.00 N ATOM 1186 CA SER A 73 -13.794 9.463 2.727 1.00 0.00 C ATOM 1187 C SER A 73 -14.276 8.136 2.147 1.00 0.00 C ATOM 1188 O SER A 73 -15.475 7.927 1.961 1.00 0.00 O ATOM 1189 CB SER A 73 -13.359 10.398 1.597 1.00 0.00 C ATOM 1190 OG SER A 73 -12.592 9.705 0.628 1.00 0.00 O ATOM 0 H SER A 73 -11.781 9.542 3.311 1.00 0.00 H new ATOM 0 HA SER A 73 -14.618 9.923 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.238 10.836 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.774 11.222 2.007 1.00 0.00 H new ATOM 0 HG SER A 73 -11.653 9.685 0.907 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.333 7.244 1.864 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.660 5.937 1.306 1.00 0.00 C ATOM 1198 C VAL A 74 -13.940 4.923 2.409 1.00 0.00 C ATOM 1199 O VAL A 74 -14.549 3.880 2.169 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.523 5.407 0.413 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.050 6.487 -0.548 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.370 4.899 1.265 1.00 0.00 C ATOM 0 H VAL A 74 -12.336 7.402 2.012 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.557 6.067 0.700 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.906 4.573 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.246 6.094 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.880 6.799 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.684 7.343 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.575 4.528 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.987 5.713 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.721 4.092 1.908 1.00 0.00 H new ATOM 1212 N ARG A 75 -13.492 5.236 3.621 1.00 0.00 N ATOM 1213 CA ARG A 75 -13.693 4.352 4.762 1.00 0.00 C ATOM 1214 C ARG A 75 -15.122 3.817 4.790 1.00 0.00 C ATOM 1215 O ARG A 75 -15.362 2.611 4.724 1.00 0.00 O ATOM 1216 CB ARG A 75 -13.388 5.090 6.067 1.00 0.00 C ATOM 1217 CG ARG A 75 -11.973 4.868 6.576 1.00 0.00 C ATOM 1218 CD ARG A 75 -10.948 5.048 5.467 1.00 0.00 C ATOM 1219 NE ARG A 75 -9.651 4.478 5.823 1.00 0.00 N ATOM 1220 CZ ARG A 75 -9.413 3.173 5.881 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -10.379 2.307 5.608 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -8.207 2.731 6.213 1.00 0.00 N ATOM 0 H ARG A 75 -12.987 6.096 3.837 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.009 3.509 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.548 6.158 5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.095 4.767 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.762 5.567 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.888 3.864 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.314 4.576 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.830 6.110 5.251 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.886 5.118 6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.308 2.643 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.193 1.305 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.461 3.394 6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.026 1.728 6.257 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.096 4.734 4.891 1.00 0.00 N ATOM 1237 CA PRO A 76 -17.517 4.379 4.930 1.00 0.00 C ATOM 1238 C PRO A 76 -18.020 3.850 3.591 1.00 0.00 C ATOM 1239 O PRO A 76 -19.077 3.226 3.516 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.205 5.703 5.274 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.265 6.754 4.792 1.00 0.00 C ATOM 1242 CD PRO A 76 -15.884 6.189 4.974 1.00 0.00 C ATOM 0 HA PRO A 76 -17.717 3.580 5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.175 5.784 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -18.381 5.791 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.453 6.996 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.387 7.677 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.201 6.540 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.455 6.478 5.933 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.254 4.104 2.534 1.00 0.00 N ATOM 1251 CA GLY A 77 -17.638 3.647 1.212 1.00 0.00 C ATOM 1252 C GLY A 77 -17.086 2.272 0.891 1.00 0.00 C ATOM 1253 O GLY A 77 -15.974 1.931 1.297 1.00 0.00 O ATOM 0 H GLY A 77 -16.374 4.618 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -18.725 3.624 1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.284 4.360 0.467 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.865 1.479 0.163 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.448 0.131 -0.210 1.00 0.00 C ATOM 1259 C LEU A 78 -17.468 -0.800 0.998 1.00 0.00 C ATOM 1260 O LEU A 78 -16.532 -1.569 1.219 1.00 0.00 O ATOM 1261 CB LEU A 78 -16.047 0.161 -0.823 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.771 1.292 -1.814 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -14.301 1.682 -1.784 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.188 0.884 -3.219 1.00 0.00 C ATOM 0 H LEU A 78 -18.788 1.745 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.153 -0.249 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.320 0.229 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.873 -0.789 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.362 2.159 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.124 2.488 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.034 2.017 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.690 0.820 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -15.984 1.701 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.625 0.002 -3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.254 0.656 -3.230 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.542 -0.727 1.777 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.687 -1.565 2.961 1.00 0.00 C ATOM 1278 C LYS A 79 -19.087 -2.986 2.577 1.00 0.00 C ATOM 1279 O LYS A 79 -18.612 -3.955 3.167 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.731 -0.968 3.908 1.00 0.00 C ATOM 1281 CG LYS A 79 -19.194 0.158 4.774 1.00 0.00 C ATOM 1282 CD LYS A 79 -18.514 -0.376 6.024 1.00 0.00 C ATOM 1283 CE LYS A 79 -18.631 0.603 7.183 1.00 0.00 C ATOM 1284 NZ LYS A 79 -18.437 -0.069 8.498 1.00 0.00 N ATOM 0 H LYS A 79 -19.325 -0.095 1.609 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.723 -1.603 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.570 -0.595 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -20.118 -1.757 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.485 0.754 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.011 0.821 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -18.962 -1.329 6.305 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.462 -0.568 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -17.890 1.394 7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -19.611 1.079 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -18.524 0.631 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -19.159 -0.807 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.492 -0.501 8.531 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.961 -3.101 1.582 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.423 -4.404 1.119 1.00 0.00 C ATOM 1300 C ASN A 80 -19.274 -5.206 0.516 1.00 0.00 C ATOM 1301 O ASN A 80 -19.118 -6.395 0.798 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.539 -4.235 0.085 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.727 -3.472 0.637 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -23.324 -3.870 1.638 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -23.078 -2.370 -0.015 1.00 0.00 N ATOM 0 H ASN A 80 -20.363 -2.308 1.082 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.812 -4.950 1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.147 -3.711 -0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.867 -5.217 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.871 -1.816 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -22.555 -2.077 -0.840 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.472 -4.548 -0.314 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.336 -5.200 -0.957 1.00 0.00 C ATOM 1314 C CYS A 81 -16.318 -5.665 0.079 1.00 0.00 C ATOM 1315 O CYS A 81 -16.217 -6.855 0.374 1.00 0.00 O ATOM 1316 CB CYS A 81 -16.671 -4.247 -1.951 1.00 0.00 C ATOM 1317 SG CYS A 81 -17.524 -4.125 -3.541 1.00 0.00 S ATOM 0 H CYS A 81 -18.587 -3.564 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.706 -6.074 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.615 -3.254 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -15.647 -4.577 -2.125 1.00 0.00 H new ATOM 0 HG CYS A 81 -16.721 -4.495 -4.494 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.564 -4.717 0.627 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.562 -5.050 1.623 1.00 0.00 C ATOM 1325 C GLY A 82 -14.714 -4.237 2.893 1.00 0.00 C ATOM 1326 O GLY A 82 -15.703 -3.525 3.068 1.00 0.00 O ATOM 0 H GLY A 82 -15.629 -3.725 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.632 -6.111 1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.569 -4.883 1.205 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.733 -4.343 3.782 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.762 -3.611 5.044 1.00 0.00 C ATOM 1332 C ASP A 83 -12.580 -2.652 5.143 1.00 0.00 C ATOM 1333 O ASP A 83 -11.548 -2.853 4.502 1.00 0.00 O ATOM 1334 CB ASP A 83 -13.746 -4.585 6.223 1.00 0.00 C ATOM 1335 CG ASP A 83 -14.240 -3.948 7.507 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -15.367 -3.410 7.506 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -13.500 -3.987 8.512 1.00 0.00 O ATOM 0 H ASP A 83 -12.908 -4.928 3.653 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.683 -3.028 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.368 -5.448 5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.731 -4.955 6.371 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.737 -1.609 5.951 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.683 -0.618 6.135 1.00 0.00 C ATOM 1344 C VAL A 84 -10.320 -1.286 6.277 1.00 0.00 C ATOM 1345 O VAL A 84 -9.306 -0.750 5.834 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.946 0.257 7.375 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -13.111 1.202 7.125 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -12.206 -0.613 8.595 1.00 0.00 C ATOM 0 H VAL A 84 -13.584 -1.428 6.489 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.684 0.014 5.247 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.058 0.858 7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -13.282 1.812 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.880 1.849 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -14.008 0.623 6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.390 0.022 9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.078 -1.242 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.337 -1.243 8.784 1.00 0.00 H new ATOM 1358 N ASN A 85 -10.305 -2.461 6.898 1.00 0.00 N ATOM 1359 CA ASN A 85 -9.066 -3.204 7.099 1.00 0.00 C ATOM 1360 C ASN A 85 -8.233 -3.227 5.821 1.00 0.00 C ATOM 1361 O ASN A 85 -7.032 -2.956 5.846 1.00 0.00 O ATOM 1362 CB ASN A 85 -9.371 -4.634 7.548 1.00 0.00 C ATOM 1363 CG ASN A 85 -9.949 -4.689 8.949 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -11.159 -5.222 9.070 1.00 0.00 O flip ATOM 1365 ND2 ASN A 85 -9.314 -4.257 9.912 1.00 0.00 N flip ATOM 0 H ASN A 85 -11.137 -2.919 7.271 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.492 -2.701 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.074 -5.089 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.457 -5.226 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.387 -3.855 9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.715 -4.301 10.849 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.878 -3.552 4.707 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.196 -3.611 3.418 1.00 0.00 C ATOM 1374 C CYS A 86 -8.018 -2.214 2.833 1.00 0.00 C ATOM 1375 O CYS A 86 -6.924 -1.846 2.403 1.00 0.00 O ATOM 1376 CB CYS A 86 -8.981 -4.489 2.442 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.244 -6.182 3.020 1.00 0.00 S ATOM 0 H CYS A 86 -9.872 -3.779 4.669 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.210 -4.048 3.576 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -9.950 -4.027 2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.451 -4.520 1.490 1.00 0.00 H new ATOM 0 HG CYS A 86 -9.727 -6.901 2.051 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.098 -1.442 2.819 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.060 -0.085 2.286 1.00 0.00 C ATOM 1385 C ILE A 87 -7.735 0.595 2.610 1.00 0.00 C ATOM 1386 O ILE A 87 -7.051 1.100 1.721 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.214 0.770 2.842 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.534 0.384 2.172 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.922 2.249 2.637 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.756 0.843 2.936 1.00 0.00 C ATOM 0 H ILE A 87 -10.011 -1.732 3.170 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.168 -0.167 1.204 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.304 0.581 3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.561 0.810 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.572 -0.699 2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.746 2.841 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.001 2.514 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.809 2.453 1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.655 0.535 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.753 0.396 3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.742 1.929 3.026 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.378 0.604 3.891 1.00 0.00 N ATOM 1403 CA GLY A 88 -6.134 1.224 4.310 1.00 0.00 C ATOM 1404 C GLY A 88 -4.952 0.777 3.472 1.00 0.00 C ATOM 1405 O GLY A 88 -4.135 1.597 3.053 1.00 0.00 O ATOM 0 H GLY A 88 -7.928 0.193 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.232 2.308 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.946 0.983 5.356 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.861 -0.526 3.228 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.769 -1.081 2.438 1.00 0.00 C ATOM 1411 C ARG A 89 -3.700 -0.417 1.065 1.00 0.00 C ATOM 1412 O ARG A 89 -2.663 0.122 0.677 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.943 -2.592 2.277 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.607 -3.380 3.532 1.00 0.00 C ATOM 1415 CD ARG A 89 -2.140 -3.779 3.563 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.297 -2.725 4.121 1.00 0.00 N ATOM 1417 CZ ARG A 89 -0.003 -2.878 4.378 1.00 0.00 C ATOM 1418 NH1 ARG A 89 0.594 -4.034 4.127 1.00 0.00 N ATOM 1419 NH2 ARG A 89 0.697 -1.871 4.885 1.00 0.00 N ATOM 0 H ARG A 89 -5.531 -1.217 3.566 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.836 -0.884 2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.974 -2.802 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.309 -2.937 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.841 -2.781 4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.229 -4.274 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.024 -4.687 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.807 -4.012 2.552 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.725 -1.822 4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.060 -4.809 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.588 -4.148 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.241 -0.979 5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.691 -1.989 5.082 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.809 -0.462 0.336 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.874 0.135 -0.993 1.00 0.00 C ATOM 1435 C ILE A 90 -4.574 1.629 -0.939 1.00 0.00 C ATOM 1436 O ILE A 90 -3.639 2.109 -1.581 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.257 -0.077 -1.638 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.632 -1.560 -1.617 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.263 0.457 -3.062 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.122 -1.805 -1.533 1.00 0.00 C ATOM 0 H ILE A 90 -5.675 -0.905 0.642 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.119 -0.363 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.000 0.474 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.244 -2.037 -2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.145 -2.038 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.246 0.300 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.035 1.523 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.512 -0.069 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.314 -2.878 -1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.513 -1.357 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.614 -1.357 -2.396 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.372 2.360 -0.168 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.190 3.801 -0.028 1.00 0.00 C ATOM 1454 C HIS A 91 -3.725 4.141 0.224 1.00 0.00 C ATOM 1455 O HIS A 91 -3.136 4.961 -0.482 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.054 4.337 1.114 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.227 5.824 1.087 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.285 6.700 1.584 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.240 6.589 0.618 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -5.712 7.940 1.423 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -6.896 7.900 0.838 1.00 0.00 N ATOM 0 H HIS A 91 -6.151 1.979 0.369 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.499 4.274 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.035 3.864 1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.605 4.049 2.064 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.150 6.234 0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.183 8.834 1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.462 8.711 0.590 1.00 0.00 H new ATOM 1469 N THR A 92 -3.140 3.507 1.236 1.00 0.00 N ATOM 1470 CA THR A 92 -1.744 3.744 1.582 1.00 0.00 C ATOM 1471 C THR A 92 -0.837 3.554 0.372 1.00 0.00 C ATOM 1472 O THR A 92 -0.249 4.511 -0.132 1.00 0.00 O ATOM 1473 CB THR A 92 -1.278 2.806 2.711 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.075 3.016 3.883 1.00 0.00 O ATOM 1475 CG2 THR A 92 0.188 3.041 3.040 1.00 0.00 C ATOM 0 H THR A 92 -3.612 2.825 1.830 1.00 0.00 H new ATOM 0 HA THR A 92 -1.675 4.776 1.925 1.00 0.00 H new ATOM 0 HB THR A 92 -1.397 1.777 2.371 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.796 2.353 3.911 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.494 2.367 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.795 2.852 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.328 4.073 3.362 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.729 2.313 -0.091 1.00 0.00 N ATOM 1484 CA TYR A 93 0.109 1.997 -1.241 1.00 0.00 C ATOM 1485 C TYR A 93 0.010 3.088 -2.303 1.00 0.00 C ATOM 1486 O TYR A 93 0.981 3.795 -2.576 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.299 0.650 -1.840 1.00 0.00 C ATOM 1488 CG TYR A 93 0.365 0.350 -3.166 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.743 0.449 -3.312 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.386 -0.030 -4.271 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.354 0.177 -4.521 1.00 0.00 C ATOM 1492 CE2 TYR A 93 0.216 -0.305 -5.483 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.586 -0.199 -5.604 1.00 0.00 C ATOM 1494 OH TYR A 93 2.190 -0.471 -6.810 1.00 0.00 O ATOM 0 H TYR A 93 -1.211 1.510 0.313 1.00 0.00 H new ATOM 0 HA TYR A 93 1.143 1.939 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.053 -0.142 -1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.381 0.634 -1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.347 0.743 -2.466 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.459 -0.112 -4.181 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.427 0.258 -4.618 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.383 -0.601 -6.332 1.00 0.00 H new ATOM 0 HH TYR A 93 2.906 -1.127 -6.677 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.170 3.220 -2.899 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.398 4.226 -3.930 1.00 0.00 C ATOM 1506 C LEU A 94 -0.765 5.558 -3.542 1.00 0.00 C ATOM 1507 O LEU A 94 -0.297 6.307 -4.399 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.898 4.411 -4.168 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.671 3.159 -4.584 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.116 3.245 -4.119 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.604 2.968 -6.092 1.00 0.00 C ATOM 0 H LEU A 94 -1.984 2.643 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.931 3.878 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.345 4.803 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.032 5.170 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.209 2.294 -4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.651 2.345 -4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.144 3.333 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.591 4.118 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.159 2.072 -6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.041 3.835 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.564 2.860 -6.399 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.752 5.845 -2.244 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.174 7.087 -1.742 1.00 0.00 C ATOM 1525 C GLU A 95 1.350 7.010 -1.727 1.00 0.00 C ATOM 1526 O GLU A 95 2.035 8.010 -1.946 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.695 7.386 -0.335 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.379 8.792 0.145 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.178 9.183 1.373 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -1.030 8.512 2.416 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.951 10.160 1.291 1.00 0.00 O ATOM 0 H GLU A 95 -1.135 5.235 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.473 7.894 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.775 7.240 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.265 6.668 0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.685 8.864 0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.584 9.500 -0.658 1.00 0.00 H new ATOM 1538 N LEU A 96 1.874 5.818 -1.466 1.00 0.00 N ATOM 1539 CA LEU A 96 3.317 5.610 -1.421 1.00 0.00 C ATOM 1540 C LEU A 96 3.918 5.653 -2.823 1.00 0.00 C ATOM 1541 O LEU A 96 5.046 6.110 -3.012 1.00 0.00 O ATOM 1542 CB LEU A 96 3.639 4.270 -0.758 1.00 0.00 C ATOM 1543 CG LEU A 96 3.001 4.028 0.611 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.357 2.644 1.129 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.439 5.099 1.600 1.00 0.00 C ATOM 0 H LEU A 96 1.321 4.981 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 96 3.756 6.415 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.325 3.471 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.721 4.191 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 96 1.918 4.084 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.894 2.490 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.993 1.890 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.439 2.558 1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.976 4.911 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.524 5.075 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.132 6.079 1.235 1.00 0.00 H new ATOM 1557 N ILE A 97 3.156 5.177 -3.802 1.00 0.00 N ATOM 1558 CA ILE A 97 3.612 5.165 -5.187 1.00 0.00 C ATOM 1559 C ILE A 97 3.455 6.539 -5.829 1.00 0.00 C ATOM 1560 O ILE A 97 4.175 6.884 -6.765 1.00 0.00 O ATOM 1561 CB ILE A 97 2.840 4.128 -6.024 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.337 4.245 -5.762 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.330 2.723 -5.710 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.491 3.457 -6.737 1.00 0.00 C ATOM 0 H ILE A 97 2.221 4.795 -3.662 1.00 0.00 H new ATOM 0 HA ILE A 97 4.667 4.893 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 97 3.022 4.328 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.125 3.902 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.049 5.295 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.775 2.002 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.392 2.647 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.175 2.512 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.563 3.586 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.674 3.816 -7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.751 2.400 -6.673 1.00 0.00 H new ATOM 1576 N GLY A 98 2.509 7.321 -5.318 1.00 0.00 N ATOM 1577 CA GLY A 98 2.276 8.650 -5.853 1.00 0.00 C ATOM 1578 C GLY A 98 0.959 8.753 -6.596 1.00 0.00 C ATOM 1579 O GLY A 98 0.363 9.827 -6.670 1.00 0.00 O ATOM 0 H GLY A 98 1.900 7.058 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.287 9.374 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.091 8.915 -6.526 1.00 0.00 H new ATOM 1583 N ALA A 99 0.505 7.633 -7.149 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.750 7.602 -7.891 1.00 0.00 C ATOM 1585 C ALA A 99 -1.766 8.568 -7.291 1.00 0.00 C ATOM 1586 O ALA A 99 -2.533 9.205 -8.014 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.313 6.189 -7.915 1.00 0.00 C ATOM 0 H ALA A 99 0.987 6.736 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.547 7.918 -8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.250 6.180 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.599 5.521 -8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.495 5.852 -6.894 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.766 8.672 -5.966 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.688 9.561 -5.270 1.00 0.00 C ATOM 1595 C ILE A 100 -1.959 10.401 -4.226 1.00 0.00 C ATOM 1596 O ILE A 100 -0.949 9.976 -3.668 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.818 8.774 -4.581 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.241 7.838 -3.517 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.618 7.987 -5.609 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.202 7.544 -2.386 1.00 0.00 C ATOM 0 H ILE A 100 -1.138 8.152 -5.353 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.122 10.218 -6.024 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.488 9.481 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.950 6.900 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.334 8.283 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.413 7.436 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.055 8.674 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.960 7.287 -6.124 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.726 6.875 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.474 8.475 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.099 7.070 -2.785 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.481 11.595 -3.967 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.881 12.495 -2.988 1.00 0.00 C ATOM 1614 C ASN A 101 -0.370 12.576 -3.178 1.00 0.00 C ATOM 1615 O ASN A 101 0.396 12.428 -2.225 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.204 12.026 -1.568 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.681 11.744 -1.373 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.535 12.507 -1.825 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -3.989 10.643 -0.698 1.00 0.00 N ATOM 0 H ASN A 101 -3.318 11.962 -4.421 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.302 13.489 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.633 11.124 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.885 12.787 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.966 10.401 -0.536 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.248 10.039 -0.341 1.00 0.00 H new ATOM 1626 N PHE A 102 0.054 12.811 -4.416 1.00 0.00 N ATOM 1627 CA PHE A 102 1.474 12.911 -4.732 1.00 0.00 C ATOM 1628 C PHE A 102 2.081 14.169 -4.117 1.00 0.00 C ATOM 1629 O PHE A 102 1.494 15.248 -4.177 1.00 0.00 O ATOM 1630 CB PHE A 102 1.681 12.921 -6.248 1.00 0.00 C ATOM 1631 CG PHE A 102 3.081 13.276 -6.659 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.116 12.369 -6.498 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.362 14.517 -7.207 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.406 12.693 -6.876 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.650 14.847 -7.587 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.673 13.934 -7.420 1.00 0.00 C ATOM 0 H PHE A 102 -0.566 12.936 -5.216 1.00 0.00 H new ATOM 0 HA PHE A 102 1.977 12.041 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.432 11.938 -6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.988 13.632 -6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.913 11.397 -6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.566 15.235 -7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.204 11.977 -6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.856 15.817 -8.014 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.680 14.190 -7.714 1.00 0.00 H new ATOM 1646 N GLY A 103 3.261 14.020 -3.523 1.00 0.00 N ATOM 1647 CA GLY A 103 3.929 15.150 -2.904 1.00 0.00 C ATOM 1648 C GLY A 103 2.962 16.073 -2.188 1.00 0.00 C ATOM 1649 O GLY A 103 2.744 17.207 -2.616 1.00 0.00 O ATOM 0 H GLY A 103 3.767 13.136 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.672 14.785 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.467 15.713 -3.667 1.00 0.00 H new ATOM 1653 N CYS A 104 2.381 15.586 -1.098 1.00 0.00 N ATOM 1654 CA CYS A 104 1.430 16.375 -0.322 1.00 0.00 C ATOM 1655 C CYS A 104 1.833 16.420 1.149 1.00 0.00 C ATOM 1656 O CYS A 104 2.234 15.408 1.722 1.00 0.00 O ATOM 1657 CB CYS A 104 0.022 15.794 -0.460 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.927 16.480 -1.838 1.00 0.00 S ATOM 0 H CYS A 104 2.551 14.650 -0.731 1.00 0.00 H new ATOM 0 HA CYS A 104 1.435 17.393 -0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.097 14.714 -0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.524 15.969 0.467 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.307 16.238 -2.955 1.00 0.00 H new ATOM 1664 N GLU A 105 1.723 17.599 1.751 1.00 0.00 N ATOM 1665 CA GLU A 105 2.079 17.776 3.154 1.00 0.00 C ATOM 1666 C GLU A 105 1.305 16.801 4.038 1.00 0.00 C ATOM 1667 O GLU A 105 1.790 16.384 5.090 1.00 0.00 O ATOM 1668 CB GLU A 105 1.801 19.214 3.597 1.00 0.00 C ATOM 1669 CG GLU A 105 0.510 19.785 3.035 1.00 0.00 C ATOM 1670 CD GLU A 105 0.709 20.468 1.696 1.00 0.00 C ATOM 1671 OE1 GLU A 105 1.148 21.637 1.684 1.00 0.00 O ATOM 1672 OE2 GLU A 105 0.424 19.833 0.659 1.00 0.00 O ATOM 0 H GLU A 105 1.390 18.446 1.290 1.00 0.00 H new ATOM 0 HA GLU A 105 3.144 17.571 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.760 19.248 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.633 19.847 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.220 18.983 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.094 20.500 3.745 1.00 0.00 H new ATOM 1679 N GLN A 106 0.101 16.445 3.603 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.740 15.521 4.355 1.00 0.00 C ATOM 1681 C GLN A 106 -0.505 14.083 3.906 1.00 0.00 C ATOM 1682 O GLN A 106 -1.395 13.239 4.005 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.215 15.887 4.184 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.708 16.915 5.190 1.00 0.00 C ATOM 1685 CD GLN A 106 -3.829 17.776 4.643 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -4.901 17.872 5.241 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.587 18.409 3.501 1.00 0.00 N ATOM 0 H GLN A 106 -0.314 16.782 2.734 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.473 15.601 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.370 16.273 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.818 14.983 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.054 16.402 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.877 17.554 5.488 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.684 18.301 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.304 19.003 3.086 1.00 0.00 H new ATOM 1696 N ALA A 107 0.698 13.811 3.411 1.00 0.00 N ATOM 1697 CA ALA A 107 1.050 12.475 2.948 1.00 0.00 C ATOM 1698 C ALA A 107 1.427 11.571 4.117 1.00 0.00 C ATOM 1699 O ALA A 107 1.615 12.038 5.241 1.00 0.00 O ATOM 1700 CB ALA A 107 2.192 12.547 1.945 1.00 0.00 C ATOM 0 H ALA A 107 1.446 14.499 3.320 1.00 0.00 H new ATOM 0 HA ALA A 107 0.177 12.046 2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.444 11.542 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.888 13.151 1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 107 3.063 13.000 2.418 1.00 0.00 H new ATOM 1706 N VAL A 108 1.534 10.274 3.846 1.00 0.00 N ATOM 1707 CA VAL A 108 1.889 9.304 4.875 1.00 0.00 C ATOM 1708 C VAL A 108 3.390 9.037 4.885 1.00 0.00 C ATOM 1709 O VAL A 108 3.890 8.277 5.715 1.00 0.00 O ATOM 1710 CB VAL A 108 1.143 7.972 4.672 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.608 7.289 3.395 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.340 7.062 5.875 1.00 0.00 C ATOM 0 H VAL A 108 1.380 9.871 2.922 1.00 0.00 H new ATOM 0 HA VAL A 108 1.594 9.735 5.831 1.00 0.00 H new ATOM 0 HB VAL A 108 0.078 8.183 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.070 6.350 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.410 7.938 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.678 7.089 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.806 6.126 5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.402 6.856 6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.953 7.551 6.769 1.00 0.00 H new ATOM 1722 N TYR A 109 4.103 9.668 3.959 1.00 0.00 N ATOM 1723 CA TYR A 109 5.548 9.497 3.859 1.00 0.00 C ATOM 1724 C TYR A 109 6.273 10.801 4.179 1.00 0.00 C ATOM 1725 O TYR A 109 7.339 10.797 4.793 1.00 0.00 O ATOM 1726 CB TYR A 109 5.930 9.017 2.458 1.00 0.00 C ATOM 1727 CG TYR A 109 5.250 9.786 1.348 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.822 10.937 0.822 1.00 0.00 C ATOM 1729 CD2 TYR A 109 4.034 9.360 0.826 1.00 0.00 C ATOM 1730 CE1 TYR A 109 5.203 11.643 -0.192 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.409 10.059 -0.189 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.998 11.199 -0.694 1.00 0.00 C ATOM 1733 OH TYR A 109 3.378 11.899 -1.704 1.00 0.00 O ATOM 0 H TYR A 109 3.704 10.302 3.267 1.00 0.00 H new ATOM 0 HA TYR A 109 5.852 8.745 4.588 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.010 9.099 2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.678 7.961 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.767 11.286 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.570 8.468 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.660 12.537 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.465 9.715 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 109 2.408 11.886 -1.563 1.00 0.00 H new ATOM 1743 N ASN A 110 5.686 11.916 3.756 1.00 0.00 N ATOM 1744 CA ASN A 110 6.276 13.228 3.996 1.00 0.00 C ATOM 1745 C ASN A 110 6.471 13.472 5.489 1.00 0.00 C ATOM 1746 O ASN A 110 7.416 14.145 5.900 1.00 0.00 O ATOM 1747 CB ASN A 110 5.390 14.325 3.400 1.00 0.00 C ATOM 1748 CG ASN A 110 5.740 14.629 1.956 1.00 0.00 C ATOM 1749 OD1 ASN A 110 6.529 13.918 1.334 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.152 15.690 1.416 1.00 0.00 N ATOM 0 H ASN A 110 4.803 11.937 3.246 1.00 0.00 H new ATOM 0 HA ASN A 110 7.252 13.254 3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 110 4.346 14.018 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.491 15.233 3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.348 15.944 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.504 16.251 1.969 1.00 0.00 H new ATOM 1757 N ARG A 111 5.570 12.920 6.296 1.00 0.00 N ATOM 1758 CA ARG A 111 5.642 13.078 7.743 1.00 0.00 C ATOM 1759 C ARG A 111 7.076 12.910 8.238 1.00 0.00 C ATOM 1760 O ARG A 111 7.538 13.660 9.098 1.00 0.00 O ATOM 1761 CB ARG A 111 4.731 12.062 8.435 1.00 0.00 C ATOM 1762 CG ARG A 111 3.266 12.201 8.054 1.00 0.00 C ATOM 1763 CD ARG A 111 2.571 13.265 8.888 1.00 0.00 C ATOM 1764 NE ARG A 111 2.847 14.613 8.397 1.00 0.00 N ATOM 1765 CZ ARG A 111 2.225 15.699 8.841 1.00 0.00 C ATOM 1766 NH1 ARG A 111 1.297 15.597 9.782 1.00 0.00 N ATOM 1767 NH2 ARG A 111 2.532 16.890 8.344 1.00 0.00 N ATOM 0 H ARG A 111 4.782 12.360 5.972 1.00 0.00 H new ATOM 0 HA ARG A 111 5.306 14.085 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.069 11.056 8.187 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.829 12.174 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.187 12.456 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.762 11.244 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.495 13.089 8.877 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.897 13.183 9.925 1.00 0.00 H new ATOM 0 HE ARG A 111 3.557 14.726 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.059 14.683 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.821 16.433 10.121 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.246 16.972 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.054 17.724 8.685 1.00 0.00 H new