USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN :FLIP amide:sc= -0.292 F(o=-2.2!,f=-0.29) USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= 0 X(o=-0.49,f=-0.29) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.78) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.471 K(o=0.47,f=-0.24) USER MOD Single : A 74 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.217) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 68:sc= 1.18 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00947 USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.223 F(o=-0.99,f=-0.22) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.058 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0.00592 X(o=0.0059,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0117) USER MOD Single : A 104 GLN : amide:sc= -0.0865 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -4.097 -12.859 -3.363 1.00 0.00 N ATOM 118 CA ILE A 46 -3.435 -11.557 -3.399 1.00 0.00 C ATOM 119 C ILE A 46 -2.302 -11.488 -2.373 1.00 0.00 C ATOM 120 O ILE A 46 -1.350 -10.725 -2.544 1.00 0.00 O ATOM 121 CB ILE A 46 -4.426 -10.404 -3.134 1.00 0.00 C ATOM 122 CG1 ILE A 46 -5.704 -10.582 -3.964 1.00 0.00 C ATOM 123 CG2 ILE A 46 -3.771 -9.065 -3.442 1.00 0.00 C ATOM 124 CD1 ILE A 46 -6.977 -10.520 -3.145 1.00 0.00 C ATOM 0 HA ILE A 46 -3.024 -11.443 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.702 -10.423 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.739 -9.809 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.661 -11.541 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.481 -8.260 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.895 -8.934 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.468 -9.040 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.838 -10.654 -3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.966 -11.310 -2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.045 -9.551 -2.650 1.00 0.00 H new ATOM 136 N ALA A 47 -2.401 -12.297 -1.314 1.00 0.00 N ATOM 137 CA ALA A 47 -1.371 -12.328 -0.276 1.00 0.00 C ATOM 138 C ALA A 47 -0.021 -12.745 -0.860 1.00 0.00 C ATOM 139 O ALA A 47 1.028 -12.281 -0.410 1.00 0.00 O ATOM 140 CB ALA A 47 -1.776 -13.271 0.848 1.00 0.00 C ATOM 0 H ALA A 47 -3.180 -12.935 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.270 -11.322 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.998 -13.282 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.713 -12.930 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.907 -14.277 0.449 1.00 0.00 H new ATOM 146 N ASN A 48 -0.058 -13.607 -1.881 1.00 0.00 N ATOM 147 CA ASN A 48 1.159 -14.070 -2.545 1.00 0.00 C ATOM 148 C ASN A 48 1.618 -13.062 -3.602 1.00 0.00 C ATOM 149 O ASN A 48 2.730 -13.165 -4.126 1.00 0.00 O ATOM 150 CB ASN A 48 0.935 -15.440 -3.196 1.00 0.00 C ATOM 151 CG ASN A 48 0.707 -16.539 -2.175 1.00 0.00 C ATOM 152 OD1 ASN A 48 -0.402 -17.057 -2.044 1.00 0.00 O ATOM 153 ND2 ASN A 48 1.758 -16.905 -1.449 1.00 0.00 N ATOM 0 H ASN A 48 -0.919 -13.997 -2.264 1.00 0.00 H new ATOM 0 HA ASN A 48 1.937 -14.164 -1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.075 -15.385 -3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.800 -15.693 -3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.663 -17.642 -0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.659 -16.449 -1.590 1.00 0.00 H new ATOM 160 N PHE A 49 0.758 -12.086 -3.908 1.00 0.00 N ATOM 161 CA PHE A 49 1.072 -11.063 -4.894 1.00 0.00 C ATOM 162 C PHE A 49 1.643 -9.807 -4.227 1.00 0.00 C ATOM 163 O PHE A 49 1.373 -8.684 -4.658 1.00 0.00 O ATOM 164 CB PHE A 49 -0.184 -10.719 -5.699 1.00 0.00 C ATOM 165 CG PHE A 49 -0.135 -11.217 -7.115 1.00 0.00 C ATOM 166 CD1 PHE A 49 0.720 -10.636 -8.038 1.00 0.00 C ATOM 167 CD2 PHE A 49 -0.939 -12.269 -7.521 1.00 0.00 C ATOM 168 CE1 PHE A 49 0.772 -11.096 -9.339 1.00 0.00 C ATOM 169 CE2 PHE A 49 -0.891 -12.734 -8.821 1.00 0.00 C ATOM 170 CZ PHE A 49 -0.034 -12.147 -9.731 1.00 0.00 C ATOM 0 H PHE A 49 -0.163 -11.988 -3.482 1.00 0.00 H new ATOM 0 HA PHE A 49 1.834 -11.455 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.055 -11.145 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.318 -9.637 -5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.353 -9.814 -7.736 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.611 -12.731 -6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.442 -10.635 -10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.523 -13.555 -9.125 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.006 -12.509 -10.748 1.00 0.00 H new ATOM 180 N LEU A 50 2.443 -10.006 -3.181 1.00 0.00 N ATOM 181 CA LEU A 50 3.061 -8.898 -2.461 1.00 0.00 C ATOM 182 C LEU A 50 4.416 -9.317 -1.900 1.00 0.00 C ATOM 183 O LEU A 50 4.537 -10.375 -1.282 1.00 0.00 O ATOM 184 CB LEU A 50 2.147 -8.422 -1.326 1.00 0.00 C ATOM 185 CG LEU A 50 1.663 -6.975 -1.452 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.201 -6.866 -1.051 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.523 -6.047 -0.604 1.00 0.00 C ATOM 0 H LEU A 50 2.678 -10.928 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 50 3.210 -8.075 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.278 -9.078 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.679 -8.531 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 50 1.757 -6.670 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.126 -5.831 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.403 -7.499 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.082 -7.190 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.164 -5.023 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.463 -6.350 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.559 -6.103 -0.939 1.00 0.00 H new ATOM 199 N GLU A 51 5.432 -8.484 -2.123 1.00 0.00 N ATOM 200 CA GLU A 51 6.781 -8.774 -1.640 1.00 0.00 C ATOM 201 C GLU A 51 6.811 -8.856 -0.113 1.00 0.00 C ATOM 202 O GLU A 51 6.039 -8.178 0.567 1.00 0.00 O ATOM 203 CB GLU A 51 7.762 -7.704 -2.124 1.00 0.00 C ATOM 204 CG GLU A 51 8.467 -8.065 -3.422 1.00 0.00 C ATOM 205 CD GLU A 51 9.972 -7.917 -3.328 1.00 0.00 C ATOM 206 OE1 GLU A 51 10.616 -8.789 -2.709 1.00 0.00 O ATOM 207 OE2 GLU A 51 10.506 -6.928 -3.870 1.00 0.00 O ATOM 0 H GLU A 51 5.347 -7.605 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 51 7.081 -9.741 -2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.224 -6.766 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.510 -7.532 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.223 -9.093 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.092 -7.429 -4.224 1.00 0.00 H new ATOM 214 N PRO A 52 7.713 -9.687 0.447 1.00 0.00 N ATOM 215 CA PRO A 52 7.843 -9.851 1.901 1.00 0.00 C ATOM 216 C PRO A 52 8.197 -8.539 2.598 1.00 0.00 C ATOM 217 O PRO A 52 7.610 -8.195 3.624 1.00 0.00 O ATOM 218 CB PRO A 52 8.979 -10.870 2.060 1.00 0.00 C ATOM 219 CG PRO A 52 9.703 -10.860 0.757 1.00 0.00 C ATOM 220 CD PRO A 52 8.676 -10.527 -0.287 1.00 0.00 C ATOM 0 HA PRO A 52 6.907 -10.176 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 52 9.642 -10.595 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.588 -11.862 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.506 -10.123 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.161 -11.829 0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.116 -9.993 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.204 -11.424 -0.689 1.00 0.00 H new ATOM 228 N GLN A 53 9.151 -7.804 2.025 1.00 0.00 N ATOM 229 CA GLN A 53 9.572 -6.523 2.584 1.00 0.00 C ATOM 230 C GLN A 53 8.471 -5.476 2.426 1.00 0.00 C ATOM 231 O GLN A 53 8.275 -4.633 3.303 1.00 0.00 O ATOM 232 CB GLN A 53 10.859 -6.040 1.909 1.00 0.00 C ATOM 233 CG GLN A 53 12.095 -6.827 2.317 1.00 0.00 C ATOM 234 CD GLN A 53 13.151 -5.961 2.980 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.311 -4.788 2.642 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.882 -6.536 3.928 1.00 0.00 N ATOM 0 H GLN A 53 9.645 -8.075 1.175 1.00 0.00 H new ATOM 0 HA GLN A 53 9.766 -6.664 3.647 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.738 -6.105 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.013 -4.988 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.803 -7.624 3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.524 -7.304 1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.717 -7.511 4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.608 -6.003 4.406 1.00 0.00 H new ATOM 245 N ALA A 54 7.749 -5.540 1.306 1.00 0.00 N ATOM 246 CA ALA A 54 6.660 -4.604 1.038 1.00 0.00 C ATOM 247 C ALA A 54 5.559 -4.727 2.090 1.00 0.00 C ATOM 248 O ALA A 54 5.078 -3.722 2.614 1.00 0.00 O ATOM 249 CB ALA A 54 6.090 -4.836 -0.354 1.00 0.00 C ATOM 0 H ALA A 54 7.900 -6.231 0.571 1.00 0.00 H new ATOM 0 HA ALA A 54 7.065 -3.593 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.280 -4.130 -0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.874 -4.690 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.708 -5.854 -0.426 1.00 0.00 H new ATOM 255 N LEU A 55 5.167 -5.967 2.398 1.00 0.00 N ATOM 256 CA LEU A 55 4.125 -6.219 3.395 1.00 0.00 C ATOM 257 C LEU A 55 4.536 -5.669 4.760 1.00 0.00 C ATOM 258 O LEU A 55 3.734 -5.037 5.449 1.00 0.00 O ATOM 259 CB LEU A 55 3.831 -7.719 3.503 1.00 0.00 C ATOM 260 CG LEU A 55 2.421 -8.134 3.072 1.00 0.00 C ATOM 261 CD1 LEU A 55 2.448 -9.500 2.401 1.00 0.00 C ATOM 262 CD2 LEU A 55 1.475 -8.140 4.265 1.00 0.00 C ATOM 0 H LEU A 55 5.555 -6.809 1.972 1.00 0.00 H new ATOM 0 HA LEU A 55 3.220 -5.706 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.555 -8.261 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.986 -8.031 4.536 1.00 0.00 H new ATOM 0 HG LEU A 55 2.054 -7.405 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.438 -9.778 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.089 -9.460 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.836 -10.241 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.479 -8.437 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.837 -8.846 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.431 -7.141 4.700 1.00 0.00 H new ATOM 274 N GLU A 56 5.792 -5.910 5.138 1.00 0.00 N ATOM 275 CA GLU A 56 6.316 -5.432 6.415 1.00 0.00 C ATOM 276 C GLU A 56 6.252 -3.907 6.484 1.00 0.00 C ATOM 277 O GLU A 56 5.830 -3.339 7.494 1.00 0.00 O ATOM 278 CB GLU A 56 7.758 -5.907 6.614 1.00 0.00 C ATOM 279 CG GLU A 56 8.069 -6.323 8.045 1.00 0.00 C ATOM 280 CD GLU A 56 9.322 -7.175 8.164 1.00 0.00 C ATOM 281 OE1 GLU A 56 10.268 -6.964 7.375 1.00 0.00 O ATOM 282 OE2 GLU A 56 9.356 -8.052 9.051 1.00 0.00 O ATOM 0 H GLU A 56 6.464 -6.433 4.577 1.00 0.00 H new ATOM 0 HA GLU A 56 5.698 -5.844 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.949 -6.750 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.439 -5.108 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.186 -5.430 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.221 -6.878 8.447 1.00 0.00 H new ATOM 289 N ARG A 57 6.663 -3.249 5.398 1.00 0.00 N ATOM 290 CA ARG A 57 6.643 -1.793 5.327 1.00 0.00 C ATOM 291 C ARG A 57 5.215 -1.264 5.462 1.00 0.00 C ATOM 292 O ARG A 57 4.979 -0.254 6.127 1.00 0.00 O ATOM 293 CB ARG A 57 7.256 -1.321 4.004 1.00 0.00 C ATOM 294 CG ARG A 57 7.811 0.092 4.058 1.00 0.00 C ATOM 295 CD ARG A 57 6.730 1.124 3.777 1.00 0.00 C ATOM 296 NE ARG A 57 6.845 2.291 4.653 1.00 0.00 N ATOM 297 CZ ARG A 57 6.307 3.483 4.386 1.00 0.00 C ATOM 298 NH1 ARG A 57 5.624 3.681 3.262 1.00 0.00 N ATOM 299 NH2 ARG A 57 6.453 4.485 5.248 1.00 0.00 N ATOM 0 H ARG A 57 7.014 -3.706 4.556 1.00 0.00 H new ATOM 0 HA ARG A 57 7.235 -1.401 6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.055 -2.005 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.498 -1.374 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.246 0.276 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.615 0.197 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.795 1.444 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.749 0.667 3.909 1.00 0.00 H new ATOM 0 HE ARG A 57 7.369 2.187 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.508 2.918 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.217 4.596 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.976 4.342 6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.042 5.396 5.045 1.00 0.00 H new ATOM 313 N LEU A 58 4.266 -1.959 4.829 1.00 0.00 N ATOM 314 CA LEU A 58 2.858 -1.567 4.879 1.00 0.00 C ATOM 315 C LEU A 58 2.314 -1.636 6.309 1.00 0.00 C ATOM 316 O LEU A 58 1.462 -0.834 6.692 1.00 0.00 O ATOM 317 CB LEU A 58 2.022 -2.462 3.957 1.00 0.00 C ATOM 318 CG LEU A 58 0.540 -2.085 3.844 1.00 0.00 C ATOM 319 CD1 LEU A 58 0.381 -0.642 3.387 1.00 0.00 C ATOM 320 CD2 LEU A 58 -0.180 -3.029 2.890 1.00 0.00 C ATOM 0 H LEU A 58 4.449 -2.796 4.276 1.00 0.00 H new ATOM 0 HA LEU A 58 2.786 -0.535 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.462 -2.440 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.092 -3.489 4.314 1.00 0.00 H new ATOM 0 HG LEU A 58 0.089 -2.180 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.679 -0.398 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.858 0.023 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.850 -0.516 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.231 -2.746 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.277 -2.967 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.102 -4.051 3.262 1.00 0.00 H new ATOM 332 N SER A 59 2.812 -2.593 7.094 1.00 0.00 N ATOM 333 CA SER A 59 2.374 -2.756 8.481 1.00 0.00 C ATOM 334 C SER A 59 2.748 -1.534 9.321 1.00 0.00 C ATOM 335 O SER A 59 1.954 -1.068 10.139 1.00 0.00 O ATOM 336 CB SER A 59 2.989 -4.018 9.095 1.00 0.00 C ATOM 337 OG SER A 59 2.355 -5.187 8.602 1.00 0.00 O ATOM 0 H SER A 59 3.517 -3.266 6.794 1.00 0.00 H new ATOM 0 HA SER A 59 1.289 -2.856 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.054 -4.055 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.896 -3.980 10.180 1.00 0.00 H new ATOM 0 HG SER A 59 2.767 -5.978 9.008 1.00 0.00 H new ATOM 343 N ARG A 60 3.961 -1.016 9.109 1.00 0.00 N ATOM 344 CA ARG A 60 4.437 0.155 9.846 1.00 0.00 C ATOM 345 C ARG A 60 3.609 1.394 9.500 1.00 0.00 C ATOM 346 O ARG A 60 3.204 2.143 10.390 1.00 0.00 O ATOM 347 CB ARG A 60 5.919 0.408 9.548 1.00 0.00 C ATOM 348 CG ARG A 60 6.509 1.581 10.321 1.00 0.00 C ATOM 349 CD ARG A 60 7.848 1.227 10.953 1.00 0.00 C ATOM 350 NE ARG A 60 8.969 1.869 10.266 1.00 0.00 N ATOM 351 CZ ARG A 60 9.561 1.376 9.173 1.00 0.00 C ATOM 352 NH1 ARG A 60 9.138 0.237 8.630 1.00 0.00 N ATOM 353 NH2 ARG A 60 10.579 2.027 8.620 1.00 0.00 N ATOM 0 H ARG A 60 4.629 -1.389 8.434 1.00 0.00 H new ATOM 0 HA ARG A 60 4.321 -0.046 10.911 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.486 -0.492 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.039 0.591 8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.637 2.430 9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.811 1.891 11.099 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.845 1.529 12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.983 0.146 10.933 1.00 0.00 H new ATOM 0 HE ARG A 60 9.321 2.748 10.645 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.356 -0.268 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.596 -0.131 7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.908 2.901 9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.032 1.652 7.786 1.00 0.00 H new ATOM 367 N VAL A 61 3.355 1.601 8.206 1.00 0.00 N ATOM 368 CA VAL A 61 2.567 2.749 7.759 1.00 0.00 C ATOM 369 C VAL A 61 1.100 2.611 8.183 1.00 0.00 C ATOM 370 O VAL A 61 0.479 3.590 8.598 1.00 0.00 O ATOM 371 CB VAL A 61 2.662 2.964 6.226 1.00 0.00 C ATOM 372 CG1 VAL A 61 2.118 1.769 5.459 1.00 0.00 C ATOM 373 CG2 VAL A 61 1.941 4.242 5.819 1.00 0.00 C ATOM 0 H VAL A 61 3.681 0.993 7.455 1.00 0.00 H new ATOM 0 HA VAL A 61 2.993 3.628 8.244 1.00 0.00 H new ATOM 0 HB VAL A 61 3.717 3.065 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.201 1.956 4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.691 0.879 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.071 1.615 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.019 4.376 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.890 4.173 6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.397 5.094 6.324 1.00 0.00 H new ATOM 383 N ALA A 62 0.557 1.392 8.087 1.00 0.00 N ATOM 384 CA ALA A 62 -0.834 1.129 8.471 1.00 0.00 C ATOM 385 C ALA A 62 -1.096 1.509 9.930 1.00 0.00 C ATOM 386 O ALA A 62 -2.211 1.899 10.283 1.00 0.00 O ATOM 387 CB ALA A 62 -1.187 -0.335 8.246 1.00 0.00 C ATOM 0 H ALA A 62 1.060 0.572 7.747 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.468 1.750 7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.223 -0.508 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.060 -0.582 7.192 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.531 -0.964 8.848 1.00 0.00 H new ATOM 393 N LEU A 63 -0.066 1.398 10.774 1.00 0.00 N ATOM 394 CA LEU A 63 -0.193 1.737 12.192 1.00 0.00 C ATOM 395 C LEU A 63 -0.537 3.214 12.368 1.00 0.00 C ATOM 396 O LEU A 63 -1.270 3.585 13.284 1.00 0.00 O ATOM 397 CB LEU A 63 1.106 1.424 12.944 1.00 0.00 C ATOM 398 CG LEU A 63 1.390 -0.064 13.176 1.00 0.00 C ATOM 399 CD1 LEU A 63 2.869 -0.289 13.460 1.00 0.00 C ATOM 400 CD2 LEU A 63 0.537 -0.599 14.318 1.00 0.00 C ATOM 0 H LEU A 63 0.862 1.077 10.500 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.000 1.132 12.605 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.940 1.853 12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.076 1.926 13.911 1.00 0.00 H new ATOM 0 HG LEU A 63 1.129 -0.609 12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.051 -1.351 13.622 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.459 0.055 12.610 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.157 0.268 14.351 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.752 -1.657 14.468 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.765 -0.049 15.231 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.518 -0.475 14.073 1.00 0.00 H new ATOM 412 N VAL A 64 0.003 4.052 11.484 1.00 0.00 N ATOM 413 CA VAL A 64 -0.240 5.489 11.539 1.00 0.00 C ATOM 414 C VAL A 64 -1.391 5.887 10.616 1.00 0.00 C ATOM 415 O VAL A 64 -2.384 6.461 11.065 1.00 0.00 O ATOM 416 CB VAL A 64 1.018 6.302 11.160 1.00 0.00 C ATOM 417 CG1 VAL A 64 1.111 7.556 12.013 1.00 0.00 C ATOM 418 CG2 VAL A 64 2.285 5.465 11.303 1.00 0.00 C ATOM 0 H VAL A 64 0.612 3.758 10.721 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.505 5.720 12.571 1.00 0.00 H new ATOM 0 HB VAL A 64 0.928 6.592 10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.002 8.119 11.736 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.227 8.172 11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.171 7.277 13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.151 6.067 11.029 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.387 5.132 12.336 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.224 4.597 10.647 1.00 0.00 H new ATOM 428 N ARG A 65 -1.255 5.577 9.327 1.00 0.00 N ATOM 429 CA ARG A 65 -2.287 5.899 8.348 1.00 0.00 C ATOM 430 C ARG A 65 -2.824 4.631 7.692 1.00 0.00 C ATOM 431 O ARG A 65 -2.332 4.201 6.647 1.00 0.00 O ATOM 432 CB ARG A 65 -1.739 6.852 7.281 1.00 0.00 C ATOM 433 CG ARG A 65 -1.481 8.263 7.790 1.00 0.00 C ATOM 434 CD ARG A 65 -2.724 8.869 8.429 1.00 0.00 C ATOM 435 NE ARG A 65 -2.987 10.223 7.944 1.00 0.00 N ATOM 436 CZ ARG A 65 -3.603 10.497 6.790 1.00 0.00 C ATOM 437 NH1 ARG A 65 -4.009 9.512 5.991 1.00 0.00 N ATOM 438 NH2 ARG A 65 -3.810 11.759 6.433 1.00 0.00 N ATOM 0 H ARG A 65 -0.439 5.103 8.939 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.106 6.393 8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.809 6.443 6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.445 6.899 6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.670 8.244 8.518 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.153 8.893 6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.585 8.235 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.601 8.890 9.512 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.682 11.006 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.851 8.540 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.478 9.729 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.499 12.518 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.280 11.969 5.553 1.00 0.00 H new ATOM 452 N ARG A 66 -3.840 4.037 8.314 1.00 0.00 N ATOM 453 CA ARG A 66 -4.453 2.816 7.796 1.00 0.00 C ATOM 454 C ARG A 66 -5.035 3.034 6.397 1.00 0.00 C ATOM 455 O ARG A 66 -5.056 2.112 5.581 1.00 0.00 O ATOM 456 CB ARG A 66 -5.540 2.305 8.750 1.00 0.00 C ATOM 457 CG ARG A 66 -6.642 3.315 9.042 1.00 0.00 C ATOM 458 CD ARG A 66 -6.454 3.974 10.402 1.00 0.00 C ATOM 459 NE ARG A 66 -7.620 3.790 11.266 1.00 0.00 N ATOM 460 CZ ARG A 66 -7.865 2.679 11.966 1.00 0.00 C ATOM 461 NH1 ARG A 66 -7.032 1.642 11.905 1.00 0.00 N ATOM 462 NH2 ARG A 66 -8.950 2.603 12.729 1.00 0.00 N ATOM 0 H ARG A 66 -4.257 4.382 9.179 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.670 2.061 7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.989 1.408 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.073 2.012 9.690 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.651 4.079 8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.611 2.817 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.573 3.556 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.268 5.039 10.266 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.287 4.558 11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.198 1.692 11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.228 0.798 12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.594 3.392 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.139 1.755 13.264 1.00 0.00 H new ATOM 476 N ASP A 67 -5.505 4.256 6.129 1.00 0.00 N ATOM 477 CA ASP A 67 -6.091 4.590 4.831 1.00 0.00 C ATOM 478 C ASP A 67 -5.130 4.271 3.686 1.00 0.00 C ATOM 479 O ASP A 67 -5.557 3.823 2.621 1.00 0.00 O ATOM 480 CB ASP A 67 -6.477 6.070 4.788 1.00 0.00 C ATOM 481 CG ASP A 67 -7.891 6.316 5.277 1.00 0.00 C ATOM 482 OD1 ASP A 67 -8.833 6.160 4.472 1.00 0.00 O ATOM 483 OD2 ASP A 67 -8.056 6.671 6.464 1.00 0.00 O ATOM 0 H ASP A 67 -5.490 5.029 6.795 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.985 3.980 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.780 6.642 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.380 6.438 3.767 1.00 0.00 H new ATOM 488 N ARG A 68 -3.833 4.488 3.910 1.00 0.00 N ATOM 489 CA ARG A 68 -2.828 4.204 2.892 1.00 0.00 C ATOM 490 C ARG A 68 -2.836 2.718 2.533 1.00 0.00 C ATOM 491 O ARG A 68 -2.794 2.352 1.358 1.00 0.00 O ATOM 492 CB ARG A 68 -1.440 4.619 3.384 1.00 0.00 C ATOM 493 CG ARG A 68 -1.150 6.101 3.214 1.00 0.00 C ATOM 494 CD ARG A 68 0.066 6.529 4.020 1.00 0.00 C ATOM 495 NE ARG A 68 0.897 7.489 3.295 1.00 0.00 N ATOM 496 CZ ARG A 68 1.808 8.278 3.872 1.00 0.00 C ATOM 497 NH1 ARG A 68 2.027 8.209 5.183 1.00 0.00 N ATOM 498 NH2 ARG A 68 2.506 9.134 3.135 1.00 0.00 N ATOM 0 H ARG A 68 -3.458 4.858 4.784 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.070 4.780 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.345 4.358 4.438 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.686 4.046 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.984 6.321 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.018 6.681 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.261 6.971 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.662 5.651 4.270 1.00 0.00 H new ATOM 0 HE ARG A 68 0.774 7.561 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.498 7.550 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.724 8.815 5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.347 9.189 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.202 9.737 3.575 1.00 0.00 H new ATOM 512 N ALA A 69 -2.900 1.873 3.560 1.00 0.00 N ATOM 513 CA ALA A 69 -2.922 0.423 3.379 1.00 0.00 C ATOM 514 C ALA A 69 -4.157 -0.035 2.599 1.00 0.00 C ATOM 515 O ALA A 69 -4.095 -1.012 1.854 1.00 0.00 O ATOM 516 CB ALA A 69 -2.860 -0.278 4.730 1.00 0.00 C ATOM 0 H ALA A 69 -2.938 2.171 4.535 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.044 0.151 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.877 -1.358 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.941 0.003 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.718 0.019 5.333 1.00 0.00 H new ATOM 522 N GLN A 70 -5.277 0.667 2.783 1.00 0.00 N ATOM 523 CA GLN A 70 -6.522 0.314 2.097 1.00 0.00 C ATOM 524 C GLN A 70 -6.395 0.502 0.589 1.00 0.00 C ATOM 525 O GLN A 70 -6.773 -0.378 -0.185 1.00 0.00 O ATOM 526 CB GLN A 70 -7.706 1.148 2.612 1.00 0.00 C ATOM 527 CG GLN A 70 -7.772 1.284 4.126 1.00 0.00 C ATOM 528 CD GLN A 70 -7.547 -0.031 4.846 1.00 0.00 C ATOM 529 OE1 GLN A 70 -8.443 -0.871 4.927 1.00 0.00 O ATOM 530 NE2 GLN A 70 -6.342 -0.214 5.369 1.00 0.00 N ATOM 0 H GLN A 70 -5.348 1.478 3.397 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.711 -0.738 2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.651 2.144 2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.633 0.695 2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.023 2.005 4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.746 1.685 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.631 0.511 5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.127 -1.080 5.863 1.00 0.00 H new ATOM 539 N ALA A 71 -5.871 1.655 0.177 1.00 0.00 N ATOM 540 CA ALA A 71 -5.710 1.955 -1.242 1.00 0.00 C ATOM 541 C ALA A 71 -4.716 1.006 -1.912 1.00 0.00 C ATOM 542 O ALA A 71 -4.992 0.488 -2.993 1.00 0.00 O ATOM 543 CB ALA A 71 -5.292 3.405 -1.442 1.00 0.00 C ATOM 0 H ALA A 71 -5.552 2.394 0.804 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.678 1.805 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.178 3.607 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.055 4.064 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.344 3.584 -0.935 1.00 0.00 H new ATOM 549 N VAL A 72 -3.566 0.772 -1.272 1.00 0.00 N ATOM 550 CA VAL A 72 -2.556 -0.124 -1.832 1.00 0.00 C ATOM 551 C VAL A 72 -3.075 -1.560 -1.908 1.00 0.00 C ATOM 552 O VAL A 72 -2.883 -2.240 -2.916 1.00 0.00 O ATOM 553 CB VAL A 72 -1.236 -0.101 -1.029 1.00 0.00 C ATOM 554 CG1 VAL A 72 -0.424 1.144 -1.355 1.00 0.00 C ATOM 555 CG2 VAL A 72 -1.489 -0.208 0.468 1.00 0.00 C ATOM 0 H VAL A 72 -3.315 1.187 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.348 0.243 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.656 -0.974 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.500 1.137 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.187 1.156 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.003 2.032 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.538 -0.189 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.104 0.631 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.006 -1.143 0.684 1.00 0.00 H new ATOM 565 N GLU A 73 -3.741 -2.014 -0.843 1.00 0.00 N ATOM 566 CA GLU A 73 -4.293 -3.366 -0.806 1.00 0.00 C ATOM 567 C GLU A 73 -5.398 -3.526 -1.850 1.00 0.00 C ATOM 568 O GLU A 73 -5.481 -4.551 -2.527 1.00 0.00 O ATOM 569 CB GLU A 73 -4.840 -3.683 0.587 1.00 0.00 C ATOM 570 CG GLU A 73 -3.773 -4.123 1.575 1.00 0.00 C ATOM 571 CD GLU A 73 -3.572 -5.626 1.582 1.00 0.00 C ATOM 572 OE1 GLU A 73 -4.440 -6.339 2.132 1.00 0.00 O ATOM 573 OE2 GLU A 73 -2.550 -6.091 1.036 1.00 0.00 O ATOM 0 H GLU A 73 -3.909 -1.466 0.001 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.491 -4.067 -1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.344 -2.800 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.591 -4.468 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.830 -3.635 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.051 -3.792 2.576 1.00 0.00 H new ATOM 580 N THR A 74 -6.235 -2.496 -1.982 1.00 0.00 N ATOM 581 CA THR A 74 -7.327 -2.512 -2.955 1.00 0.00 C ATOM 582 C THR A 74 -6.782 -2.382 -4.377 1.00 0.00 C ATOM 583 O THR A 74 -7.348 -2.935 -5.319 1.00 0.00 O ATOM 584 CB THR A 74 -8.331 -1.389 -2.668 1.00 0.00 C ATOM 585 OG1 THR A 74 -8.876 -1.522 -1.366 1.00 0.00 O ATOM 586 CG2 THR A 74 -9.489 -1.361 -3.641 1.00 0.00 C ATOM 0 H THR A 74 -6.177 -1.642 -1.428 1.00 0.00 H new ATOM 0 HA THR A 74 -7.844 -3.467 -2.865 1.00 0.00 H new ATOM 0 HB THR A 74 -7.764 -0.464 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.256 -1.138 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.162 -0.544 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.111 -1.213 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.030 -2.306 -3.590 1.00 0.00 H new ATOM 594 N TYR A 75 -5.678 -1.652 -4.523 1.00 0.00 N ATOM 595 CA TYR A 75 -5.050 -1.454 -5.820 1.00 0.00 C ATOM 596 C TYR A 75 -4.522 -2.782 -6.368 1.00 0.00 C ATOM 597 O TYR A 75 -4.720 -3.102 -7.541 1.00 0.00 O ATOM 598 CB TYR A 75 -3.917 -0.427 -5.683 1.00 0.00 C ATOM 599 CG TYR A 75 -2.880 -0.484 -6.778 1.00 0.00 C ATOM 600 CD1 TYR A 75 -1.856 -1.419 -6.740 1.00 0.00 C ATOM 601 CD2 TYR A 75 -2.920 0.402 -7.845 1.00 0.00 C ATOM 602 CE1 TYR A 75 -0.903 -1.473 -7.732 1.00 0.00 C ATOM 603 CE2 TYR A 75 -1.970 0.356 -8.844 1.00 0.00 C ATOM 604 CZ TYR A 75 -0.962 -0.583 -8.784 1.00 0.00 C ATOM 605 OH TYR A 75 -0.012 -0.632 -9.778 1.00 0.00 O ATOM 0 H TYR A 75 -5.200 -1.187 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.788 -1.074 -6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.351 0.573 -5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.422 -0.578 -4.724 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.805 -2.117 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.708 1.139 -7.894 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.113 -2.208 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -2.015 1.052 -9.669 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.199 0.062 -10.444 1.00 0.00 H new ATOM 615 N LEU A 76 -3.853 -3.552 -5.507 1.00 0.00 N ATOM 616 CA LEU A 76 -3.297 -4.847 -5.900 1.00 0.00 C ATOM 617 C LEU A 76 -4.397 -5.821 -6.320 1.00 0.00 C ATOM 618 O LEU A 76 -4.282 -6.483 -7.351 1.00 0.00 O ATOM 619 CB LEU A 76 -2.486 -5.452 -4.748 1.00 0.00 C ATOM 620 CG LEU A 76 -1.724 -6.737 -5.092 1.00 0.00 C ATOM 621 CD1 LEU A 76 -0.645 -6.474 -6.135 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.116 -7.346 -3.837 1.00 0.00 C ATOM 0 H LEU A 76 -3.684 -3.300 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.642 -4.679 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.771 -4.707 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.162 -5.660 -3.919 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.434 -7.447 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.121 -7.403 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.105 -6.088 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.064 -5.742 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.579 -8.258 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.425 -6.634 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.908 -7.583 -3.127 1.00 0.00 H new ATOM 634 N LYS A 77 -5.464 -5.904 -5.522 1.00 0.00 N ATOM 635 CA LYS A 77 -6.576 -6.805 -5.832 1.00 0.00 C ATOM 636 C LYS A 77 -7.363 -6.310 -7.047 1.00 0.00 C ATOM 637 O LYS A 77 -7.869 -7.113 -7.828 1.00 0.00 O ATOM 638 CB LYS A 77 -7.507 -6.989 -4.623 1.00 0.00 C ATOM 639 CG LYS A 77 -7.892 -5.698 -3.917 1.00 0.00 C ATOM 640 CD LYS A 77 -9.402 -5.535 -3.830 1.00 0.00 C ATOM 641 CE LYS A 77 -9.965 -4.879 -5.082 1.00 0.00 C ATOM 642 NZ LYS A 77 -11.361 -4.397 -4.883 1.00 0.00 N ATOM 0 H LYS A 77 -5.581 -5.364 -4.665 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.148 -7.778 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.416 -7.491 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.022 -7.650 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.466 -5.691 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.464 -4.849 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.867 -6.511 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.654 -4.932 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.330 -4.041 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.942 -5.592 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.616 -3.744 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.012 -5.208 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.431 -3.903 -3.971 1.00 0.00 H new ATOM 656 N LYS A 78 -7.461 -4.987 -7.202 1.00 0.00 N ATOM 657 CA LYS A 78 -8.185 -4.397 -8.328 1.00 0.00 C ATOM 658 C LYS A 78 -7.505 -4.731 -9.659 1.00 0.00 C ATOM 659 O LYS A 78 -8.169 -5.128 -10.615 1.00 0.00 O ATOM 660 CB LYS A 78 -8.287 -2.877 -8.159 1.00 0.00 C ATOM 661 CG LYS A 78 -9.250 -2.218 -9.135 1.00 0.00 C ATOM 662 CD LYS A 78 -10.486 -1.687 -8.425 1.00 0.00 C ATOM 663 CE LYS A 78 -11.748 -1.940 -9.236 1.00 0.00 C ATOM 664 NZ LYS A 78 -12.727 -0.823 -9.110 1.00 0.00 N ATOM 0 H LYS A 78 -7.049 -4.307 -6.563 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.188 -4.823 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.606 -2.654 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.297 -2.439 -8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.745 -1.400 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.548 -2.939 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.578 -2.163 -7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.374 -0.617 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.484 -2.074 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.213 -2.868 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.572 -1.036 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.000 -0.711 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.294 0.059 -9.451 1.00 0.00 H new ATOM 678 N LEU A 79 -6.182 -4.573 -9.713 1.00 0.00 N ATOM 679 CA LEU A 79 -5.422 -4.864 -10.932 1.00 0.00 C ATOM 680 C LEU A 79 -5.504 -6.347 -11.286 1.00 0.00 C ATOM 681 O LEU A 79 -5.754 -6.703 -12.439 1.00 0.00 O ATOM 682 CB LEU A 79 -3.958 -4.448 -10.766 1.00 0.00 C ATOM 683 CG LEU A 79 -3.624 -3.036 -11.255 1.00 0.00 C ATOM 684 CD1 LEU A 79 -4.273 -1.990 -10.359 1.00 0.00 C ATOM 685 CD2 LEU A 79 -2.115 -2.834 -11.311 1.00 0.00 C ATOM 0 H LEU A 79 -5.615 -4.246 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.863 -4.288 -11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.693 -4.523 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.331 -5.160 -11.304 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.024 -2.917 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.024 -0.993 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.355 -2.121 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.906 -2.106 -9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.896 -1.825 -11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.692 -2.973 -10.316 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.676 -3.559 -11.996 1.00 0.00 H new ATOM 697 N ILE A 80 -5.299 -7.209 -10.289 1.00 0.00 N ATOM 698 CA ILE A 80 -5.356 -8.653 -10.502 1.00 0.00 C ATOM 699 C ILE A 80 -6.774 -9.096 -10.866 1.00 0.00 C ATOM 700 O ILE A 80 -6.959 -10.026 -11.654 1.00 0.00 O ATOM 701 CB ILE A 80 -4.880 -9.436 -9.256 1.00 0.00 C ATOM 702 CG1 ILE A 80 -3.482 -8.972 -8.832 1.00 0.00 C ATOM 703 CG2 ILE A 80 -4.880 -10.934 -9.538 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.147 -9.285 -7.388 1.00 0.00 C ATOM 0 H ILE A 80 -5.093 -6.932 -9.329 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.683 -8.876 -11.330 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.572 -9.237 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.741 -9.444 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.403 -7.896 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.543 -11.471 -8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.889 -11.256 -9.795 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.208 -11.148 -10.369 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.143 -8.927 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.865 -8.791 -6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.192 -10.362 -7.229 1.00 0.00 H new ATOM 716 N ALA A 81 -7.771 -8.424 -10.288 1.00 0.00 N ATOM 717 CA ALA A 81 -9.173 -8.746 -10.549 1.00 0.00 C ATOM 718 C ALA A 81 -9.598 -8.344 -11.960 1.00 0.00 C ATOM 719 O ALA A 81 -10.489 -8.965 -12.541 1.00 0.00 O ATOM 720 CB ALA A 81 -10.073 -8.073 -9.524 1.00 0.00 C ATOM 0 H ALA A 81 -7.632 -7.653 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.277 -9.828 -10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.113 -8.323 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.810 -8.420 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.942 -6.992 -9.578 1.00 0.00 H new ATOM 726 N THR A 82 -8.975 -7.299 -12.507 1.00 0.00 N ATOM 727 CA THR A 82 -9.319 -6.831 -13.847 1.00 0.00 C ATOM 728 C THR A 82 -8.542 -7.594 -14.921 1.00 0.00 C ATOM 729 O THR A 82 -9.133 -8.333 -15.709 1.00 0.00 O ATOM 730 CB THR A 82 -9.074 -5.318 -13.980 1.00 0.00 C ATOM 731 OG1 THR A 82 -9.508 -4.625 -12.822 1.00 0.00 O ATOM 732 CG2 THR A 82 -9.782 -4.697 -15.166 1.00 0.00 C ATOM 0 H THR A 82 -8.237 -6.766 -12.047 1.00 0.00 H new ATOM 0 HA THR A 82 -10.381 -7.024 -13.999 1.00 0.00 H new ATOM 0 HB THR A 82 -7.997 -5.220 -14.119 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.930 -4.857 -12.066 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.566 -3.629 -15.200 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.433 -5.167 -16.085 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.857 -4.847 -15.067 1.00 0.00 H new ATOM 740 N ASN A 83 -7.218 -7.406 -14.959 1.00 0.00 N ATOM 741 CA ASN A 83 -6.380 -8.074 -15.956 1.00 0.00 C ATOM 742 C ASN A 83 -4.886 -7.776 -15.757 1.00 0.00 C ATOM 743 O ASN A 83 -4.042 -8.639 -16.004 1.00 0.00 O ATOM 744 CB ASN A 83 -6.808 -7.651 -17.366 1.00 0.00 C ATOM 745 CG ASN A 83 -6.430 -6.216 -17.695 1.00 0.00 C ATOM 746 OD1 ASN A 83 -7.067 -5.261 -17.023 1.00 0.00 O flip ATOM 747 ND2 ASN A 83 -5.575 -5.969 -18.543 1.00 0.00 N flip ATOM 0 H ASN A 83 -6.708 -6.801 -14.315 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.520 -9.148 -15.830 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.348 -8.318 -18.095 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.887 -7.768 -17.463 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.110 -6.732 -19.036 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.330 -5.001 -18.754 1.00 0.00 H new ATOM 754 N ASN A 84 -4.567 -6.547 -15.330 1.00 0.00 N ATOM 755 CA ASN A 84 -3.177 -6.132 -15.117 1.00 0.00 C ATOM 756 C ASN A 84 -2.505 -6.987 -14.047 1.00 0.00 C ATOM 757 O ASN A 84 -2.565 -6.676 -12.855 1.00 0.00 O ATOM 758 CB ASN A 84 -3.117 -4.658 -14.714 1.00 0.00 C ATOM 759 CG ASN A 84 -3.008 -3.724 -15.908 1.00 0.00 C ATOM 760 OD1 ASN A 84 -3.962 -3.816 -16.829 1.00 0.00 O flip ATOM 761 ND2 ASN A 84 -2.076 -2.926 -16.000 1.00 0.00 N flip ATOM 0 H ASN A 84 -5.255 -5.823 -15.125 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.641 -6.270 -16.056 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.010 -4.406 -14.142 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.262 -4.501 -14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.364 -2.887 -15.271 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.015 -2.303 -16.806 1.00 0.00 H new ATOM 768 N VAL A 85 -1.874 -8.067 -14.487 1.00 0.00 N ATOM 769 CA VAL A 85 -1.192 -8.985 -13.584 1.00 0.00 C ATOM 770 C VAL A 85 0.177 -9.389 -14.135 1.00 0.00 C ATOM 771 O VAL A 85 0.356 -10.504 -14.633 1.00 0.00 O ATOM 772 CB VAL A 85 -2.032 -10.256 -13.327 1.00 0.00 C ATOM 773 CG1 VAL A 85 -1.535 -10.974 -12.086 1.00 0.00 C ATOM 774 CG2 VAL A 85 -3.513 -9.920 -13.193 1.00 0.00 C ATOM 0 H VAL A 85 -1.820 -8.330 -15.471 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.056 -8.456 -12.641 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.916 -10.918 -14.185 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.136 -11.867 -11.917 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.492 -11.259 -12.224 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.619 -10.312 -11.224 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.079 -10.834 -13.013 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.656 -9.234 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.864 -9.451 -14.112 1.00 0.00 H new ATOM 784 N THR A 86 1.140 -8.474 -14.043 1.00 0.00 N ATOM 785 CA THR A 86 2.496 -8.733 -14.531 1.00 0.00 C ATOM 786 C THR A 86 3.481 -8.947 -13.377 1.00 0.00 C ATOM 787 O THR A 86 4.534 -9.559 -13.565 1.00 0.00 O ATOM 788 CB THR A 86 2.980 -7.581 -15.420 1.00 0.00 C ATOM 789 OG1 THR A 86 2.372 -6.355 -15.043 1.00 0.00 O ATOM 790 CG2 THR A 86 2.694 -7.804 -16.891 1.00 0.00 C ATOM 0 H THR A 86 1.008 -7.548 -13.636 1.00 0.00 H new ATOM 0 HA THR A 86 2.458 -9.649 -15.120 1.00 0.00 H new ATOM 0 HB THR A 86 4.060 -7.541 -15.275 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.698 -5.636 -15.624 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.061 -6.954 -17.466 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.196 -8.712 -17.226 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.619 -7.907 -17.041 1.00 0.00 H new ATOM 798 N HIS A 87 3.139 -8.441 -12.187 1.00 0.00 N ATOM 799 CA HIS A 87 4.005 -8.581 -11.014 1.00 0.00 C ATOM 800 C HIS A 87 3.303 -8.115 -9.737 1.00 0.00 C ATOM 801 O HIS A 87 2.117 -7.777 -9.754 1.00 0.00 O ATOM 802 CB HIS A 87 5.306 -7.786 -11.212 1.00 0.00 C ATOM 803 CG HIS A 87 5.101 -6.314 -11.433 1.00 0.00 C ATOM 804 ND1 HIS A 87 4.356 -5.403 -10.754 1.00 0.00 N flip ATOM 805 CD2 HIS A 87 5.707 -5.619 -12.457 1.00 0.00 C flip ATOM 806 CE1 HIS A 87 4.529 -4.191 -11.376 1.00 0.00 C flip ATOM 807 NE2 HIS A 87 5.349 -4.348 -12.399 1.00 0.00 N flip ATOM 0 H HIS A 87 2.272 -7.933 -12.012 1.00 0.00 H new ATOM 0 HA HIS A 87 4.240 -9.640 -10.904 1.00 0.00 H new ATOM 0 HB2 HIS A 87 5.941 -7.926 -10.337 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.844 -8.199 -12.065 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.372 -6.047 -13.193 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.069 -3.261 -11.077 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.654 -3.613 -13.037 1.00 0.00 H new ATOM 816 N LYS A 88 4.053 -8.090 -8.632 1.00 0.00 N ATOM 817 CA LYS A 88 3.521 -7.654 -7.343 1.00 0.00 C ATOM 818 C LYS A 88 4.042 -6.260 -6.990 1.00 0.00 C ATOM 819 O LYS A 88 4.846 -5.687 -7.726 1.00 0.00 O ATOM 820 CB LYS A 88 3.901 -8.651 -6.242 1.00 0.00 C ATOM 821 CG LYS A 88 5.400 -8.866 -6.093 1.00 0.00 C ATOM 822 CD LYS A 88 5.809 -10.267 -6.522 1.00 0.00 C ATOM 823 CE LYS A 88 5.995 -11.187 -5.323 1.00 0.00 C ATOM 824 NZ LYS A 88 5.685 -12.609 -5.652 1.00 0.00 N ATOM 0 H LYS A 88 5.034 -8.368 -8.607 1.00 0.00 H new ATOM 0 HA LYS A 88 2.434 -7.611 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.499 -8.299 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.426 -9.609 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.935 -8.130 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.690 -8.703 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.050 -10.681 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.737 -10.218 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.022 -11.114 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.351 -10.855 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.825 -13.199 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.697 -12.685 -5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.317 -12.935 -6.411 1.00 0.00 H new ATOM 838 N ILE A 89 3.584 -5.720 -5.862 1.00 0.00 N ATOM 839 CA ILE A 89 4.014 -4.396 -5.426 1.00 0.00 C ATOM 840 C ILE A 89 5.213 -4.497 -4.483 1.00 0.00 C ATOM 841 O ILE A 89 5.061 -4.804 -3.298 1.00 0.00 O ATOM 842 CB ILE A 89 2.871 -3.623 -4.730 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.621 -3.605 -5.614 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.310 -2.202 -4.408 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.334 -3.773 -4.841 1.00 0.00 C ATOM 0 H ILE A 89 2.919 -6.177 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 89 4.305 -3.845 -6.320 1.00 0.00 H new ATOM 0 HB ILE A 89 2.629 -4.132 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.586 -2.663 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.698 -4.401 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.494 -1.671 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.174 -2.230 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.577 -1.686 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.510 -3.751 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.348 -4.728 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.235 -2.962 -4.119 1.00 0.00 H new ATOM 857 N THR A 90 6.405 -4.236 -5.022 1.00 0.00 N ATOM 858 CA THR A 90 7.640 -4.294 -4.238 1.00 0.00 C ATOM 859 C THR A 90 7.743 -3.090 -3.305 1.00 0.00 C ATOM 860 O THR A 90 6.912 -2.184 -3.361 1.00 0.00 O ATOM 861 CB THR A 90 8.864 -4.344 -5.164 1.00 0.00 C ATOM 862 OG1 THR A 90 9.065 -3.094 -5.807 1.00 0.00 O ATOM 863 CG2 THR A 90 8.764 -5.405 -6.241 1.00 0.00 C ATOM 0 H THR A 90 6.541 -3.982 -6.000 1.00 0.00 H new ATOM 0 HA THR A 90 7.616 -5.202 -3.636 1.00 0.00 H new ATOM 0 HB THR A 90 9.702 -4.591 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.851 -3.149 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.663 -5.383 -6.858 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.666 -6.386 -5.777 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.891 -5.210 -6.864 1.00 0.00 H new ATOM 871 N GLU A 91 8.769 -3.079 -2.451 1.00 0.00 N ATOM 872 CA GLU A 91 8.968 -1.971 -1.520 1.00 0.00 C ATOM 873 C GLU A 91 9.049 -0.643 -2.274 1.00 0.00 C ATOM 874 O GLU A 91 8.470 0.357 -1.850 1.00 0.00 O ATOM 875 CB GLU A 91 10.230 -2.178 -0.677 1.00 0.00 C ATOM 876 CG GLU A 91 10.103 -1.635 0.739 1.00 0.00 C ATOM 877 CD GLU A 91 11.202 -2.122 1.664 1.00 0.00 C ATOM 878 OE1 GLU A 91 12.389 -1.893 1.350 1.00 0.00 O ATOM 879 OE2 GLU A 91 10.874 -2.727 2.706 1.00 0.00 O ATOM 0 H GLU A 91 9.468 -3.819 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 91 8.110 -1.942 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.458 -3.243 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.072 -1.693 -1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.120 -0.546 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.136 -1.927 1.148 1.00 0.00 H new ATOM 886 N ALA A 92 9.756 -0.646 -3.405 1.00 0.00 N ATOM 887 CA ALA A 92 9.893 0.554 -4.228 1.00 0.00 C ATOM 888 C ALA A 92 8.568 0.908 -4.906 1.00 0.00 C ATOM 889 O ALA A 92 8.206 2.082 -5.008 1.00 0.00 O ATOM 890 CB ALA A 92 10.986 0.364 -5.272 1.00 0.00 C ATOM 0 H ALA A 92 10.241 -1.465 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 92 10.173 1.380 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.074 1.267 -5.875 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.935 0.167 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.732 -0.479 -5.915 1.00 0.00 H new ATOM 896 N GLU A 93 7.853 -0.118 -5.372 1.00 0.00 N ATOM 897 CA GLU A 93 6.571 0.073 -6.047 1.00 0.00 C ATOM 898 C GLU A 93 5.486 0.544 -5.077 1.00 0.00 C ATOM 899 O GLU A 93 4.685 1.417 -5.413 1.00 0.00 O ATOM 900 CB GLU A 93 6.135 -1.227 -6.732 1.00 0.00 C ATOM 901 CG GLU A 93 5.099 -1.023 -7.827 1.00 0.00 C ATOM 902 CD GLU A 93 5.675 -1.193 -9.221 1.00 0.00 C ATOM 903 OE1 GLU A 93 6.206 -2.285 -9.517 1.00 0.00 O ATOM 904 OE2 GLU A 93 5.591 -0.235 -10.017 1.00 0.00 O ATOM 0 H GLU A 93 8.143 -1.093 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 93 6.706 0.850 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.012 -1.714 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.729 -1.904 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.284 -1.733 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.671 -0.025 -7.735 1.00 0.00 H new ATOM 911 N ILE A 94 5.458 -0.041 -3.878 1.00 0.00 N ATOM 912 CA ILE A 94 4.457 0.323 -2.876 1.00 0.00 C ATOM 913 C ILE A 94 4.600 1.781 -2.437 1.00 0.00 C ATOM 914 O ILE A 94 3.602 2.453 -2.192 1.00 0.00 O ATOM 915 CB ILE A 94 4.508 -0.608 -1.639 1.00 0.00 C ATOM 916 CG1 ILE A 94 3.346 -0.297 -0.690 1.00 0.00 C ATOM 917 CG2 ILE A 94 5.840 -0.492 -0.911 1.00 0.00 C ATOM 918 CD1 ILE A 94 3.077 -1.391 0.321 1.00 0.00 C ATOM 0 H ILE A 94 6.113 -0.764 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 94 3.486 0.199 -3.355 1.00 0.00 H new ATOM 0 HB ILE A 94 4.410 -1.636 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.560 0.631 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.444 -0.128 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 94 5.842 -1.158 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.649 -0.770 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.983 0.535 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.242 -1.100 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.831 -2.316 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.964 -1.545 0.935 1.00 0.00 H new ATOM 930 N VAL A 95 5.839 2.271 -2.352 1.00 0.00 N ATOM 931 CA VAL A 95 6.084 3.658 -1.952 1.00 0.00 C ATOM 932 C VAL A 95 5.536 4.630 -2.999 1.00 0.00 C ATOM 933 O VAL A 95 4.910 5.630 -2.653 1.00 0.00 O ATOM 934 CB VAL A 95 7.588 3.944 -1.735 1.00 0.00 C ATOM 935 CG1 VAL A 95 7.805 5.387 -1.297 1.00 0.00 C ATOM 936 CG2 VAL A 95 8.183 2.981 -0.718 1.00 0.00 C ATOM 0 H VAL A 95 6.682 1.733 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 95 5.565 3.805 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 95 8.100 3.793 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.870 5.566 -1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.426 6.061 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.274 5.567 -0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.242 3.203 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 95 7.665 3.092 0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.069 1.958 -1.076 1.00 0.00 H new ATOM 946 N SER A 96 5.770 4.328 -4.278 1.00 0.00 N ATOM 947 CA SER A 96 5.288 5.179 -5.367 1.00 0.00 C ATOM 948 C SER A 96 3.761 5.268 -5.347 1.00 0.00 C ATOM 949 O SER A 96 3.194 6.356 -5.465 1.00 0.00 O ATOM 950 CB SER A 96 5.770 4.643 -6.721 1.00 0.00 C ATOM 951 OG SER A 96 5.082 5.260 -7.796 1.00 0.00 O ATOM 0 H SER A 96 6.288 3.504 -4.584 1.00 0.00 H new ATOM 0 HA SER A 96 5.695 6.180 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.841 4.819 -6.823 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.619 3.564 -6.762 1.00 0.00 H new ATOM 0 HG SER A 96 5.412 4.899 -8.645 1.00 0.00 H new ATOM 957 N ILE A 97 3.103 4.121 -5.183 1.00 0.00 N ATOM 958 CA ILE A 97 1.644 4.076 -5.133 1.00 0.00 C ATOM 959 C ILE A 97 1.140 4.681 -3.822 1.00 0.00 C ATOM 960 O ILE A 97 0.180 5.452 -3.811 1.00 0.00 O ATOM 961 CB ILE A 97 1.112 2.631 -5.279 1.00 0.00 C ATOM 962 CG1 ILE A 97 1.731 1.955 -6.509 1.00 0.00 C ATOM 963 CG2 ILE A 97 -0.408 2.631 -5.380 1.00 0.00 C ATOM 964 CD1 ILE A 97 1.683 0.443 -6.461 1.00 0.00 C ATOM 0 H ILE A 97 3.557 3.213 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 97 1.269 4.661 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 97 1.399 2.065 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.209 2.298 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.769 2.274 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.766 1.607 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.832 3.075 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.715 3.211 -6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.139 0.036 -7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.230 0.089 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.646 0.114 -6.398 1.00 0.00 H new ATOM 976 N LEU A 98 1.813 4.336 -2.724 1.00 0.00 N ATOM 977 CA LEU A 98 1.462 4.849 -1.400 1.00 0.00 C ATOM 978 C LEU A 98 1.592 6.372 -1.358 1.00 0.00 C ATOM 979 O LEU A 98 0.754 7.059 -0.771 1.00 0.00 O ATOM 980 CB LEU A 98 2.368 4.212 -0.340 1.00 0.00 C ATOM 981 CG LEU A 98 2.240 4.783 1.074 1.00 0.00 C ATOM 982 CD1 LEU A 98 2.455 3.687 2.109 1.00 0.00 C ATOM 983 CD2 LEU A 98 3.229 5.923 1.284 1.00 0.00 C ATOM 0 H LEU A 98 2.610 3.699 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 98 0.425 4.589 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.155 3.144 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.404 4.319 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 98 1.232 5.180 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.361 4.108 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.707 2.906 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.451 3.261 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.122 6.316 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.245 5.554 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.028 6.716 0.564 1.00 0.00 H new ATOM 995 N ASN A 99 2.650 6.890 -1.986 1.00 0.00 N ATOM 996 CA ASN A 99 2.898 8.330 -2.029 1.00 0.00 C ATOM 997 C ASN A 99 1.717 9.065 -2.659 1.00 0.00 C ATOM 998 O ASN A 99 1.330 10.142 -2.201 1.00 0.00 O ATOM 999 CB ASN A 99 4.184 8.629 -2.808 1.00 0.00 C ATOM 1000 CG ASN A 99 5.311 9.084 -1.901 1.00 0.00 C ATOM 1001 OD1 ASN A 99 5.761 10.227 -1.976 1.00 0.00 O ATOM 1002 ND2 ASN A 99 5.773 8.188 -1.035 1.00 0.00 N ATOM 0 H ASN A 99 3.350 6.330 -2.473 1.00 0.00 H new ATOM 0 HA ASN A 99 3.018 8.685 -1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 99 4.494 7.736 -3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.985 9.400 -3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.530 8.437 -0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 99 5.370 7.251 -1.007 1.00 0.00 H new ATOM 1009 N GLY A 100 1.128 8.460 -3.691 1.00 0.00 N ATOM 1010 CA GLY A 100 -0.022 9.052 -4.347 1.00 0.00 C ATOM 1011 C GLY A 100 -1.273 8.911 -3.506 1.00 0.00 C ATOM 1012 O GLY A 100 -2.108 9.814 -3.458 1.00 0.00 O ATOM 0 H GLY A 100 1.430 7.568 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.171 10.107 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.177 8.574 -5.314 1.00 0.00 H new ATOM 1016 N ILE A 101 -1.382 7.768 -2.829 1.00 0.00 N ATOM 1017 CA ILE A 101 -2.516 7.477 -1.960 1.00 0.00 C ATOM 1018 C ILE A 101 -2.667 8.554 -0.883 1.00 0.00 C ATOM 1019 O ILE A 101 -3.771 9.037 -0.628 1.00 0.00 O ATOM 1020 CB ILE A 101 -2.349 6.086 -1.302 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -2.616 4.988 -2.332 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -3.264 5.926 -0.098 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -2.218 3.604 -1.865 1.00 0.00 C ATOM 0 H ILE A 101 -0.688 7.022 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.419 7.472 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.323 5.999 -0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.677 4.986 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.074 5.222 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.120 4.938 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -3.027 6.689 0.643 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.302 6.036 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.437 2.879 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.151 3.588 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.779 3.348 -0.966 1.00 0.00 H new ATOM 1035 N ALA A 102 -1.548 8.937 -0.268 1.00 0.00 N ATOM 1036 CA ALA A 102 -1.555 9.972 0.764 1.00 0.00 C ATOM 1037 C ALA A 102 -1.714 11.361 0.144 1.00 0.00 C ATOM 1038 O ALA A 102 -2.339 12.242 0.736 1.00 0.00 O ATOM 1039 CB ALA A 102 -0.286 9.906 1.601 1.00 0.00 C ATOM 0 H ALA A 102 -0.627 8.546 -0.467 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.409 9.790 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.312 10.685 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.218 8.930 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.582 10.056 0.959 1.00 0.00 H new ATOM 1045 N LYS A 103 -1.140 11.548 -1.049 1.00 0.00 N ATOM 1046 CA LYS A 103 -1.214 12.829 -1.752 1.00 0.00 C ATOM 1047 C LYS A 103 -2.664 13.213 -2.050 1.00 0.00 C ATOM 1048 O LYS A 103 -3.064 14.356 -1.834 1.00 0.00 O ATOM 1049 CB LYS A 103 -0.409 12.776 -3.055 1.00 0.00 C ATOM 1050 CG LYS A 103 0.435 14.019 -3.302 1.00 0.00 C ATOM 1051 CD LYS A 103 1.604 13.729 -4.233 1.00 0.00 C ATOM 1052 CE LYS A 103 1.158 13.656 -5.687 1.00 0.00 C ATOM 1053 NZ LYS A 103 0.908 15.007 -6.266 1.00 0.00 N ATOM 0 H LYS A 103 -0.619 10.826 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.784 13.590 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.243 11.903 -3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.095 12.641 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.188 14.802 -3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.812 14.398 -2.352 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.360 14.507 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.072 12.787 -3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.921 13.146 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.249 13.058 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.706 14.917 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.094 15.444 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.749 15.603 -6.132 1.00 0.00 H new ATOM 1067 N GLN A 104 -3.447 12.252 -2.545 1.00 0.00 N ATOM 1068 CA GLN A 104 -4.854 12.496 -2.864 1.00 0.00 C ATOM 1069 C GLN A 104 -5.650 12.845 -1.604 1.00 0.00 C ATOM 1070 O GLN A 104 -6.614 13.611 -1.662 1.00 0.00 O ATOM 1071 CB GLN A 104 -5.473 11.277 -3.559 1.00 0.00 C ATOM 1072 CG GLN A 104 -5.419 9.997 -2.735 1.00 0.00 C ATOM 1073 CD GLN A 104 -6.440 8.969 -3.188 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -7.644 9.152 -3.007 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -5.966 7.878 -3.782 1.00 0.00 N ATOM 0 H GLN A 104 -3.131 11.301 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.898 13.346 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.513 11.498 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.956 11.110 -4.504 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.420 9.567 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.591 10.237 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.961 7.765 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.608 7.155 -4.107 1.00 0.00 H new