USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 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 779 GLN : amide:sc= -0.118 K(o=-0.17,f=-1) USER MOD Set 1.2: A 782 GLN :FLIP amide:sc= -0.047 F(o=-2.4!,f=-0.17) USER MOD Single : A 722 TYR OH : rot -161:sc= 1.89 USER MOD Single : A 724 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 725 THR OG1 : rot 180:sc= 0 USER MOD Single : A 726 ASN : amide:sc= -0.648 K(o=-0.65,f=-2.4!) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 737 SER OG : rot 180:sc= 0 USER MOD Single : A 738 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.078) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc= -0.279 F(o=-1.4!,f=-0.28) USER MOD Single : A 750 SER OG : rot 180:sc= 0 USER MOD Single : A 754 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-1.2) USER MOD Single : A 757 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0.00109) USER MOD Single : A 760 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 761 GLN : amide:sc= -3.74! C(o=-3.7!,f=-3.6!) USER MOD Single : A 763 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 CYS SG : rot 39:sc=-0.00589 USER MOD Single : A 775 HIS :FLIP no HD1:sc= -0.108 F(o=-0.9,f=-0.11) USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ 161:sc= -0.0791 (180deg=-0.401) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.656 15.146 7.453 1.00 51.11 N ATOM 148 CA ILE A 716 1.257 13.841 7.236 1.00 60.13 C ATOM 149 C ILE A 716 1.157 12.980 8.493 1.00 31.43 C ATOM 150 O ILE A 716 1.175 11.750 8.423 1.00 5.11 O ATOM 151 CB ILE A 716 2.729 13.994 6.806 1.00 23.50 C ATOM 152 CG1 ILE A 716 2.814 14.834 5.531 1.00 54.22 C ATOM 153 CG2 ILE A 716 3.382 12.639 6.589 1.00 1.40 C ATOM 154 CD1 ILE A 716 2.052 14.247 4.358 1.00 54.12 C ATOM 0 HA ILE A 716 0.709 13.342 6.437 1.00 60.13 H new ATOM 0 HB ILE A 716 3.268 14.501 7.606 1.00 23.50 H new ATOM 0 HG12 ILE A 716 2.429 15.832 5.739 1.00 54.22 H new ATOM 0 HG13 ILE A 716 3.861 14.948 5.251 1.00 54.22 H new ATOM 0 HG21 ILE A 716 4.420 12.779 6.286 1.00 1.40 H new ATOM 0 HG22 ILE A 716 3.349 12.066 7.516 1.00 1.40 H new ATOM 0 HG23 ILE A 716 2.847 12.098 5.809 1.00 1.40 H new ATOM 0 HD11 ILE A 716 2.160 14.899 3.491 1.00 54.12 H new ATOM 0 HD12 ILE A 716 2.451 13.261 4.122 1.00 54.12 H new ATOM 0 HD13 ILE A 716 0.997 14.159 4.617 1.00 54.12 H new ATOM 166 N GLY A 717 1.014 13.640 9.639 1.00 74.32 N ATOM 167 CA GLY A 717 0.867 12.938 10.900 1.00 71.22 C ATOM 168 C GLY A 717 -0.313 11.979 10.910 1.00 12.42 C ATOM 169 O GLY A 717 -0.336 11.022 11.687 1.00 1.34 O ATOM 0 H GLY A 717 0.997 14.657 9.715 1.00 74.32 H new ATOM 0 HA2 GLY A 717 1.781 12.383 11.110 1.00 71.22 H new ATOM 0 HA3 GLY A 717 0.744 13.665 11.703 1.00 71.22 H new ATOM 173 N GLU A 718 -1.292 12.225 10.046 1.00 32.24 N ATOM 174 CA GLU A 718 -2.456 11.356 9.953 1.00 73.13 C ATOM 175 C GLU A 718 -2.082 10.050 9.261 1.00 41.54 C ATOM 176 O GLU A 718 -2.495 8.970 9.675 1.00 43.11 O ATOM 177 CB GLU A 718 -3.592 12.054 9.202 1.00 2.12 C ATOM 178 CG GLU A 718 -3.958 13.415 9.777 1.00 21.54 C ATOM 179 CD GLU A 718 -4.361 13.357 11.240 1.00 32.15 C ATOM 180 OE1 GLU A 718 -3.472 13.208 12.105 1.00 3.42 O ATOM 181 OE2 GLU A 718 -5.565 13.492 11.535 1.00 3.10 O ATOM 0 H GLU A 718 -1.302 13.017 9.403 1.00 32.24 H new ATOM 0 HA GLU A 718 -2.803 11.131 10.962 1.00 73.13 H new ATOM 0 HB2 GLU A 718 -3.305 12.176 8.158 1.00 2.12 H new ATOM 0 HB3 GLU A 718 -4.474 11.413 9.218 1.00 2.12 H new ATOM 0 HG2 GLU A 718 -3.109 14.089 9.667 1.00 21.54 H new ATOM 0 HG3 GLU A 718 -4.778 13.839 9.197 1.00 21.54 H new ATOM 188 N LEU A 719 -1.266 10.148 8.222 1.00 11.03 N ATOM 189 CA LEU A 719 -0.813 8.963 7.507 1.00 12.01 C ATOM 190 C LEU A 719 0.051 8.110 8.431 1.00 3.51 C ATOM 191 O LEU A 719 0.056 6.882 8.348 1.00 45.43 O ATOM 192 CB LEU A 719 -0.020 9.341 6.244 1.00 14.20 C ATOM 193 CG LEU A 719 -0.813 10.038 5.122 1.00 12.23 C ATOM 194 CD1 LEU A 719 -2.086 9.273 4.803 1.00 71.31 C ATOM 195 CD2 LEU A 719 -1.132 11.483 5.479 1.00 74.13 C ATOM 0 H LEU A 719 -0.906 11.029 7.857 1.00 11.03 H new ATOM 0 HA LEU A 719 -1.689 8.394 7.194 1.00 12.01 H new ATOM 0 HB2 LEU A 719 0.801 9.994 6.539 1.00 14.20 H new ATOM 0 HB3 LEU A 719 0.425 8.434 5.835 1.00 14.20 H new ATOM 0 HG LEU A 719 -0.183 10.046 4.232 1.00 12.23 H new ATOM 0 HD11 LEU A 719 -2.628 9.785 4.008 1.00 71.31 H new ATOM 0 HD12 LEU A 719 -1.832 8.264 4.478 1.00 71.31 H new ATOM 0 HD13 LEU A 719 -2.712 9.221 5.694 1.00 71.31 H new ATOM 0 HD21 LEU A 719 -1.692 11.944 4.665 1.00 74.13 H new ATOM 0 HD22 LEU A 719 -1.729 11.509 6.391 1.00 74.13 H new ATOM 0 HD23 LEU A 719 -0.204 12.032 5.637 1.00 74.13 H new ATOM 207 N VAL A 720 0.758 8.781 9.336 1.00 35.11 N ATOM 208 CA VAL A 720 1.585 8.110 10.329 1.00 1.05 C ATOM 209 C VAL A 720 0.726 7.270 11.272 1.00 52.31 C ATOM 210 O VAL A 720 1.081 6.137 11.604 1.00 45.44 O ATOM 211 CB VAL A 720 2.410 9.126 11.152 1.00 61.24 C ATOM 212 CG1 VAL A 720 3.252 8.423 12.209 1.00 3.41 C ATOM 213 CG2 VAL A 720 3.295 9.964 10.240 1.00 62.14 C ATOM 0 H VAL A 720 0.773 9.799 9.400 1.00 35.11 H new ATOM 0 HA VAL A 720 2.272 7.456 9.791 1.00 1.05 H new ATOM 0 HB VAL A 720 1.710 9.788 11.662 1.00 61.24 H new ATOM 0 HG11 VAL A 720 3.821 9.163 12.772 1.00 3.41 H new ATOM 0 HG12 VAL A 720 2.600 7.874 12.888 1.00 3.41 H new ATOM 0 HG13 VAL A 720 3.939 7.729 11.725 1.00 3.41 H new ATOM 0 HG21 VAL A 720 3.867 10.673 10.839 1.00 62.14 H new ATOM 0 HG22 VAL A 720 3.979 9.312 9.697 1.00 62.14 H new ATOM 0 HG23 VAL A 720 2.673 10.509 9.530 1.00 62.14 H new ATOM 223 N ARG A 721 -0.421 7.816 11.680 1.00 54.13 N ATOM 224 CA ARG A 721 -1.314 7.112 12.602 1.00 15.31 C ATOM 225 C ARG A 721 -1.840 5.833 11.956 1.00 2.03 C ATOM 226 O ARG A 721 -2.194 4.874 12.642 1.00 1.03 O ATOM 227 CB ARG A 721 -2.486 8.010 13.040 1.00 44.05 C ATOM 228 CG ARG A 721 -3.686 7.990 12.101 1.00 41.03 C ATOM 229 CD ARG A 721 -4.718 9.043 12.473 1.00 73.25 C ATOM 230 NE ARG A 721 -5.886 9.010 11.591 1.00 15.14 N ATOM 231 CZ ARG A 721 -6.866 9.916 11.612 1.00 4.51 C ATOM 232 NH1 ARG A 721 -6.845 10.907 12.495 1.00 21.52 N ATOM 233 NH2 ARG A 721 -7.875 9.819 10.756 1.00 24.44 N ATOM 0 H ARG A 721 -0.752 8.736 11.389 1.00 54.13 H new ATOM 0 HA ARG A 721 -0.741 6.850 13.491 1.00 15.31 H new ATOM 0 HB2 ARG A 721 -2.813 7.700 14.033 1.00 44.05 H new ATOM 0 HB3 ARG A 721 -2.127 9.036 13.128 1.00 44.05 H new ATOM 0 HG2 ARG A 721 -3.349 8.158 11.078 1.00 41.03 H new ATOM 0 HG3 ARG A 721 -4.149 7.004 12.126 1.00 41.03 H new ATOM 0 HD2 ARG A 721 -5.038 8.887 13.503 1.00 73.25 H new ATOM 0 HD3 ARG A 721 -4.259 10.031 12.428 1.00 73.25 H new ATOM 0 HE ARG A 721 -5.955 8.247 10.918 1.00 15.14 H new ATOM 0 HH11 ARG A 721 -6.077 10.979 13.162 1.00 21.52 H new ATOM 0 HH12 ARG A 721 -7.597 11.596 12.506 1.00 21.52 H new ATOM 0 HH21 ARG A 721 -7.901 9.053 10.083 1.00 24.44 H new ATOM 0 HH22 ARG A 721 -8.625 10.511 10.771 1.00 24.44 H new ATOM 247 N TYR A 722 -1.879 5.815 10.631 1.00 32.32 N ATOM 248 CA TYR A 722 -2.331 4.636 9.912 1.00 51.21 C ATOM 249 C TYR A 722 -1.246 3.577 9.836 1.00 42.44 C ATOM 250 O TYR A 722 -1.547 2.394 9.758 1.00 31.54 O ATOM 251 CB TYR A 722 -2.845 5.014 8.531 1.00 22.44 C ATOM 252 CG TYR A 722 -4.162 5.731 8.628 1.00 22.24 C ATOM 253 CD1 TYR A 722 -5.269 5.078 9.147 1.00 5.15 C ATOM 254 CD2 TYR A 722 -4.295 7.055 8.245 1.00 25.00 C ATOM 255 CE1 TYR A 722 -6.473 5.725 9.287 1.00 74.23 C ATOM 256 CE2 TYR A 722 -5.500 7.710 8.372 1.00 5.31 C ATOM 257 CZ TYR A 722 -6.586 7.039 8.899 1.00 61.51 C ATOM 258 OH TYR A 722 -7.785 7.689 9.055 1.00 4.22 O ATOM 0 H TYR A 722 -1.605 6.598 10.037 1.00 32.32 H new ATOM 0 HA TYR A 722 -3.160 4.200 10.470 1.00 51.21 H new ATOM 0 HB2 TYR A 722 -2.116 5.650 8.029 1.00 22.44 H new ATOM 0 HB3 TYR A 722 -2.959 4.117 7.922 1.00 22.44 H new ATOM 0 HD1 TYR A 722 -5.184 4.044 9.446 1.00 5.15 H new ATOM 0 HD2 TYR A 722 -3.443 7.581 7.841 1.00 25.00 H new ATOM 0 HE1 TYR A 722 -7.325 5.205 9.699 1.00 74.23 H new ATOM 0 HE2 TYR A 722 -5.595 8.740 8.062 1.00 5.31 H new ATOM 0 HH TYR A 722 -7.805 8.481 8.478 1.00 4.22 H new ATOM 268 N LEU A 723 0.011 3.993 9.893 1.00 23.25 N ATOM 269 CA LEU A 723 1.107 3.039 10.004 1.00 24.14 C ATOM 270 C LEU A 723 1.007 2.315 11.339 1.00 22.45 C ATOM 271 O LEU A 723 1.519 1.207 11.508 1.00 32.34 O ATOM 272 CB LEU A 723 2.460 3.743 9.884 1.00 12.31 C ATOM 273 CG LEU A 723 2.733 4.402 8.533 1.00 5.44 C ATOM 274 CD1 LEU A 723 4.096 5.068 8.539 1.00 44.22 C ATOM 275 CD2 LEU A 723 2.643 3.379 7.412 1.00 54.41 C ATOM 0 H LEU A 723 0.296 4.972 9.865 1.00 23.25 H new ATOM 0 HA LEU A 723 1.032 2.319 9.189 1.00 24.14 H new ATOM 0 HB2 LEU A 723 2.526 4.504 10.661 1.00 12.31 H new ATOM 0 HB3 LEU A 723 3.248 3.017 10.082 1.00 12.31 H new ATOM 0 HG LEU A 723 1.975 5.166 8.360 1.00 5.44 H new ATOM 0 HD11 LEU A 723 4.278 5.534 7.570 1.00 44.22 H new ATOM 0 HD12 LEU A 723 4.126 5.829 9.319 1.00 44.22 H new ATOM 0 HD13 LEU A 723 4.865 4.320 8.732 1.00 44.22 H new ATOM 0 HD21 LEU A 723 2.840 3.867 6.457 1.00 54.41 H new ATOM 0 HD22 LEU A 723 3.380 2.593 7.577 1.00 54.41 H new ATOM 0 HD23 LEU A 723 1.644 2.943 7.397 1.00 54.41 H new ATOM 287 N ASN A 724 0.346 2.963 12.289 1.00 72.44 N ATOM 288 CA ASN A 724 0.060 2.351 13.577 1.00 41.54 C ATOM 289 C ASN A 724 -1.167 1.447 13.480 1.00 33.01 C ATOM 290 O ASN A 724 -1.110 0.267 13.829 1.00 64.25 O ATOM 291 CB ASN A 724 -0.180 3.418 14.653 1.00 64.35 C ATOM 292 CG ASN A 724 1.037 4.282 14.921 1.00 15.24 C ATOM 293 OD1 ASN A 724 1.213 5.341 14.317 1.00 4.32 O ATOM 294 ND2 ASN A 724 1.888 3.839 15.829 1.00 51.41 N ATOM 0 H ASN A 724 -0.003 3.916 12.190 1.00 72.44 H new ATOM 0 HA ASN A 724 0.928 1.755 13.859 1.00 41.54 H new ATOM 0 HB2 ASN A 724 -1.009 4.055 14.345 1.00 64.35 H new ATOM 0 HB3 ASN A 724 -0.481 2.929 15.579 1.00 64.35 H new ATOM 0 HD21 ASN A 724 2.725 4.379 16.050 1.00 51.41 H new ATOM 0 HD22 ASN A 724 1.709 2.957 16.309 1.00 51.41 H new ATOM 301 N THR A 725 -2.275 2.005 13.005 1.00 12.24 N ATOM 302 CA THR A 725 -3.543 1.286 12.978 1.00 12.32 C ATOM 303 C THR A 725 -3.742 0.493 11.682 1.00 73.14 C ATOM 304 O THR A 725 -3.656 -0.734 11.680 1.00 72.52 O ATOM 305 CB THR A 725 -4.724 2.255 13.167 1.00 13.41 C ATOM 306 OG1 THR A 725 -4.474 3.120 14.283 1.00 64.14 O ATOM 307 CG2 THR A 725 -6.019 1.490 13.399 1.00 20.31 C ATOM 0 H THR A 725 -2.321 2.954 12.633 1.00 12.24 H new ATOM 0 HA THR A 725 -3.511 0.576 13.804 1.00 12.32 H new ATOM 0 HB THR A 725 -4.826 2.849 12.259 1.00 13.41 H new ATOM 0 HG1 THR A 725 -5.229 3.735 14.396 1.00 64.14 H new ATOM 0 HG21 THR A 725 -6.840 2.195 13.530 1.00 20.31 H new ATOM 0 HG22 THR A 725 -6.223 0.851 12.540 1.00 20.31 H new ATOM 0 HG23 THR A 725 -5.923 0.875 14.294 1.00 20.31 H new ATOM 315 N ASN A 726 -4.002 1.191 10.581 1.00 10.13 N ATOM 316 CA ASN A 726 -4.361 0.535 9.324 1.00 12.10 C ATOM 317 C ASN A 726 -3.812 1.305 8.130 1.00 53.32 C ATOM 318 O ASN A 726 -4.372 2.326 7.729 1.00 2.11 O ATOM 319 CB ASN A 726 -5.885 0.402 9.202 1.00 14.11 C ATOM 320 CG ASN A 726 -6.320 -0.148 7.853 1.00 31.53 C ATOM 321 OD1 ASN A 726 -5.602 -0.918 7.217 1.00 21.43 O ATOM 322 ND2 ASN A 726 -7.501 0.248 7.405 1.00 33.23 N ATOM 0 H ASN A 726 -3.971 2.209 10.531 1.00 10.13 H new ATOM 0 HA ASN A 726 -3.917 -0.460 9.329 1.00 12.10 H new ATOM 0 HB2 ASN A 726 -6.253 -0.252 9.992 1.00 14.11 H new ATOM 0 HB3 ASN A 726 -6.344 1.378 9.357 1.00 14.11 H new ATOM 0 HD21 ASN A 726 -7.843 -0.087 6.504 1.00 33.23 H new ATOM 0 HD22 ASN A 726 -8.069 0.888 7.961 1.00 33.23 H new ATOM 329 N PRO A 727 -2.705 0.823 7.553 1.00 72.33 N ATOM 330 CA PRO A 727 -2.055 1.472 6.413 1.00 4.01 C ATOM 331 C PRO A 727 -2.965 1.549 5.193 1.00 11.55 C ATOM 332 O PRO A 727 -2.980 2.555 4.479 1.00 14.04 O ATOM 333 CB PRO A 727 -0.845 0.575 6.117 1.00 21.05 C ATOM 334 CG PRO A 727 -1.144 -0.723 6.783 1.00 41.50 C ATOM 335 CD PRO A 727 -1.986 -0.390 7.978 1.00 61.22 C ATOM 0 HA PRO A 727 -1.788 2.504 6.640 1.00 4.01 H new ATOM 0 HB2 PRO A 727 -0.706 0.443 5.044 1.00 21.05 H new ATOM 0 HB3 PRO A 727 0.074 1.014 6.506 1.00 21.05 H new ATOM 0 HG2 PRO A 727 -1.673 -1.395 6.108 1.00 41.50 H new ATOM 0 HG3 PRO A 727 -0.226 -1.229 7.081 1.00 41.50 H new ATOM 0 HD2 PRO A 727 -2.673 -1.200 8.225 1.00 61.22 H new ATOM 0 HD3 PRO A 727 -1.376 -0.208 8.863 1.00 61.22 H new ATOM 343 N VAL A 728 -3.738 0.489 4.972 1.00 13.43 N ATOM 344 CA VAL A 728 -4.611 0.396 3.809 1.00 73.25 C ATOM 345 C VAL A 728 -5.638 1.524 3.806 1.00 21.41 C ATOM 346 O VAL A 728 -5.838 2.187 2.790 1.00 71.22 O ATOM 347 CB VAL A 728 -5.343 -0.962 3.758 1.00 24.35 C ATOM 348 CG1 VAL A 728 -6.165 -1.089 2.483 1.00 1.22 C ATOM 349 CG2 VAL A 728 -4.350 -2.110 3.872 1.00 30.33 C ATOM 0 H VAL A 728 -3.776 -0.322 5.589 1.00 13.43 H new ATOM 0 HA VAL A 728 -3.977 0.484 2.927 1.00 73.25 H new ATOM 0 HB VAL A 728 -6.025 -1.011 4.607 1.00 24.35 H new ATOM 0 HG11 VAL A 728 -6.671 -2.054 2.471 1.00 1.22 H new ATOM 0 HG12 VAL A 728 -6.906 -0.290 2.447 1.00 1.22 H new ATOM 0 HG13 VAL A 728 -5.507 -1.013 1.617 1.00 1.22 H new ATOM 0 HG21 VAL A 728 -4.885 -3.059 3.834 1.00 30.33 H new ATOM 0 HG22 VAL A 728 -3.640 -2.060 3.046 1.00 30.33 H new ATOM 0 HG23 VAL A 728 -3.813 -2.034 4.817 1.00 30.33 H new ATOM 359 N GLY A 729 -6.255 1.760 4.958 1.00 42.12 N ATOM 360 CA GLY A 729 -7.287 2.771 5.048 1.00 73.14 C ATOM 361 C GLY A 729 -6.745 4.162 4.813 1.00 32.10 C ATOM 362 O GLY A 729 -7.378 4.976 4.138 1.00 11.11 O ATOM 0 H GLY A 729 -6.058 1.269 5.830 1.00 42.12 H new ATOM 0 HA2 GLY A 729 -8.067 2.558 4.316 1.00 73.14 H new ATOM 0 HA3 GLY A 729 -7.753 2.726 6.032 1.00 73.14 H new ATOM 366 N GLY A 730 -5.560 4.425 5.352 1.00 32.42 N ATOM 367 CA GLY A 730 -4.955 5.735 5.217 1.00 11.45 C ATOM 368 C GLY A 730 -4.549 6.043 3.794 1.00 51.44 C ATOM 369 O GLY A 730 -4.701 7.173 3.333 1.00 4.51 O ATOM 0 H GLY A 730 -5.007 3.751 5.882 1.00 32.42 H new ATOM 0 HA2 GLY A 730 -5.658 6.493 5.563 1.00 11.45 H new ATOM 0 HA3 GLY A 730 -4.079 5.795 5.862 1.00 11.45 H new ATOM 373 N LEU A 731 -4.042 5.038 3.095 1.00 64.51 N ATOM 374 CA LEU A 731 -3.647 5.203 1.702 1.00 63.41 C ATOM 375 C LEU A 731 -4.872 5.543 0.857 1.00 61.55 C ATOM 376 O LEU A 731 -4.824 6.415 -0.013 1.00 61.32 O ATOM 377 CB LEU A 731 -2.958 3.918 1.201 1.00 52.33 C ATOM 378 CG LEU A 731 -2.241 4.000 -0.157 1.00 53.50 C ATOM 379 CD1 LEU A 731 -3.223 3.858 -1.310 1.00 25.31 C ATOM 380 CD2 LEU A 731 -1.465 5.306 -0.276 1.00 51.32 C ATOM 0 H LEU A 731 -3.894 4.100 3.468 1.00 64.51 H new ATOM 0 HA LEU A 731 -2.936 6.024 1.614 1.00 63.41 H new ATOM 0 HB2 LEU A 731 -2.230 3.608 1.951 1.00 52.33 H new ATOM 0 HB3 LEU A 731 -3.709 3.131 1.141 1.00 52.33 H new ATOM 0 HG LEU A 731 -1.537 3.170 -0.212 1.00 53.50 H new ATOM 0 HD11 LEU A 731 -2.685 3.920 -2.256 1.00 25.31 H new ATOM 0 HD12 LEU A 731 -3.727 2.894 -1.242 1.00 25.31 H new ATOM 0 HD13 LEU A 731 -3.962 4.658 -1.259 1.00 25.31 H new ATOM 0 HD21 LEU A 731 -0.965 5.345 -1.244 1.00 51.32 H new ATOM 0 HD22 LEU A 731 -2.153 6.147 -0.189 1.00 51.32 H new ATOM 0 HD23 LEU A 731 -0.722 5.361 0.519 1.00 51.32 H new ATOM 392 N LEU A 732 -5.977 4.870 1.149 1.00 3.51 N ATOM 393 CA LEU A 732 -7.221 5.087 0.429 1.00 62.13 C ATOM 394 C LEU A 732 -7.766 6.494 0.675 1.00 34.13 C ATOM 395 O LEU A 732 -8.194 7.177 -0.259 1.00 14.14 O ATOM 396 CB LEU A 732 -8.258 4.037 0.842 1.00 42.12 C ATOM 397 CG LEU A 732 -7.882 2.588 0.513 1.00 14.41 C ATOM 398 CD1 LEU A 732 -8.888 1.625 1.117 1.00 10.43 C ATOM 399 CD2 LEU A 732 -7.799 2.384 -0.992 1.00 72.32 C ATOM 0 H LEU A 732 -6.035 4.165 1.884 1.00 3.51 H new ATOM 0 HA LEU A 732 -7.017 4.988 -0.637 1.00 62.13 H new ATOM 0 HB2 LEU A 732 -8.426 4.118 1.916 1.00 42.12 H new ATOM 0 HB3 LEU A 732 -9.204 4.271 0.353 1.00 42.12 H new ATOM 0 HG LEU A 732 -6.902 2.385 0.946 1.00 14.41 H new ATOM 0 HD11 LEU A 732 -8.604 0.601 0.873 1.00 10.43 H new ATOM 0 HD12 LEU A 732 -8.905 1.748 2.200 1.00 10.43 H new ATOM 0 HD13 LEU A 732 -9.879 1.833 0.713 1.00 10.43 H new ATOM 0 HD21 LEU A 732 -7.531 1.349 -1.205 1.00 72.32 H new ATOM 0 HD22 LEU A 732 -8.765 2.609 -1.443 1.00 72.32 H new ATOM 0 HD23 LEU A 732 -7.041 3.048 -1.408 1.00 72.32 H new ATOM 411 N GLU A 733 -7.733 6.943 1.929 1.00 4.44 N ATOM 412 CA GLU A 733 -8.308 8.238 2.267 1.00 12.20 C ATOM 413 C GLU A 733 -7.372 9.386 1.901 1.00 14.33 C ATOM 414 O GLU A 733 -7.831 10.504 1.665 1.00 53.13 O ATOM 415 CB GLU A 733 -8.708 8.301 3.738 1.00 72.21 C ATOM 416 CG GLU A 733 -7.597 8.031 4.716 1.00 41.00 C ATOM 417 CD GLU A 733 -8.140 7.938 6.116 1.00 22.05 C ATOM 418 OE1 GLU A 733 -8.587 6.842 6.512 1.00 70.41 O ATOM 419 OE2 GLU A 733 -8.152 8.967 6.823 1.00 54.22 O ATOM 0 H GLU A 733 -7.321 6.437 2.713 1.00 4.44 H new ATOM 0 HA GLU A 733 -9.213 8.354 1.670 1.00 12.20 H new ATOM 0 HB2 GLU A 733 -9.120 9.289 3.944 1.00 72.21 H new ATOM 0 HB3 GLU A 733 -9.507 7.580 3.912 1.00 72.21 H new ATOM 0 HG2 GLU A 733 -7.091 7.102 4.453 1.00 41.00 H new ATOM 0 HG3 GLU A 733 -6.854 8.826 4.660 1.00 41.00 H new ATOM 426 N TYR A 734 -6.071 9.120 1.842 1.00 21.31 N ATOM 427 CA TYR A 734 -5.126 10.101 1.326 1.00 34.14 C ATOM 428 C TYR A 734 -5.531 10.503 -0.086 1.00 50.53 C ATOM 429 O TYR A 734 -5.581 11.688 -0.425 1.00 34.33 O ATOM 430 CB TYR A 734 -3.701 9.532 1.326 1.00 43.32 C ATOM 431 CG TYR A 734 -2.781 10.189 0.319 1.00 44.23 C ATOM 432 CD1 TYR A 734 -2.142 11.394 0.591 1.00 63.51 C ATOM 433 CD2 TYR A 734 -2.557 9.593 -0.915 1.00 44.14 C ATOM 434 CE1 TYR A 734 -1.305 11.981 -0.340 1.00 33.11 C ATOM 435 CE2 TYR A 734 -1.721 10.173 -1.848 1.00 73.42 C ATOM 436 CZ TYR A 734 -1.097 11.365 -1.556 1.00 25.23 C ATOM 437 OH TYR A 734 -0.260 11.948 -2.479 1.00 34.33 O ATOM 0 H TYR A 734 -5.651 8.241 2.143 1.00 21.31 H new ATOM 0 HA TYR A 734 -5.142 10.980 1.971 1.00 34.14 H new ATOM 0 HB2 TYR A 734 -3.274 9.646 2.323 1.00 43.32 H new ATOM 0 HB3 TYR A 734 -3.747 8.463 1.119 1.00 43.32 H new ATOM 0 HD1 TYR A 734 -2.302 11.878 1.543 1.00 63.51 H new ATOM 0 HD2 TYR A 734 -3.046 8.659 -1.149 1.00 44.14 H new ATOM 0 HE1 TYR A 734 -0.816 12.918 -0.116 1.00 33.11 H new ATOM 0 HE2 TYR A 734 -1.557 9.694 -2.802 1.00 73.42 H new ATOM 0 HH TYR A 734 -0.219 11.389 -3.283 1.00 34.33 H new ATOM 447 N ALA A 735 -5.839 9.500 -0.895 1.00 74.41 N ATOM 448 CA ALA A 735 -6.226 9.724 -2.273 1.00 50.43 C ATOM 449 C ALA A 735 -7.575 10.422 -2.355 1.00 41.12 C ATOM 450 O ALA A 735 -7.722 11.404 -3.078 1.00 41.22 O ATOM 451 CB ALA A 735 -6.254 8.408 -3.031 1.00 5.11 C ATOM 0 H ALA A 735 -5.827 8.519 -0.615 1.00 74.41 H new ATOM 0 HA ALA A 735 -5.485 10.376 -2.735 1.00 50.43 H new ATOM 0 HB1 ALA A 735 -6.546 8.590 -4.065 1.00 5.11 H new ATOM 0 HB2 ALA A 735 -5.263 7.954 -3.008 1.00 5.11 H new ATOM 0 HB3 ALA A 735 -6.973 7.734 -2.564 1.00 5.11 H new ATOM 457 N ARG A 736 -8.549 9.937 -1.589 1.00 73.20 N ATOM 458 CA ARG A 736 -9.906 10.485 -1.635 1.00 13.13 C ATOM 459 C ARG A 736 -9.906 11.964 -1.241 1.00 51.23 C ATOM 460 O ARG A 736 -10.683 12.762 -1.766 1.00 24.11 O ATOM 461 CB ARG A 736 -10.844 9.692 -0.711 1.00 70.21 C ATOM 462 CG ARG A 736 -10.786 10.118 0.750 1.00 72.33 C ATOM 463 CD ARG A 736 -11.763 9.343 1.617 1.00 75.11 C ATOM 464 NE ARG A 736 -11.771 9.848 2.991 1.00 0.32 N ATOM 465 CZ ARG A 736 -12.582 9.413 3.956 1.00 42.35 C ATOM 466 NH1 ARG A 736 -13.468 8.454 3.713 1.00 62.02 N ATOM 467 NH2 ARG A 736 -12.500 9.950 5.165 1.00 11.22 N ATOM 0 H ARG A 736 -8.427 9.168 -0.930 1.00 73.20 H new ATOM 0 HA ARG A 736 -10.270 10.397 -2.659 1.00 13.13 H new ATOM 0 HB2 ARG A 736 -11.867 9.802 -1.070 1.00 70.21 H new ATOM 0 HB3 ARG A 736 -10.594 8.633 -0.780 1.00 70.21 H new ATOM 0 HG2 ARG A 736 -9.774 9.973 1.128 1.00 72.33 H new ATOM 0 HG3 ARG A 736 -11.004 11.183 0.824 1.00 72.33 H new ATOM 0 HD2 ARG A 736 -12.765 9.417 1.194 1.00 75.11 H new ATOM 0 HD3 ARG A 736 -11.494 8.287 1.617 1.00 75.11 H new ATOM 0 HE ARG A 736 -11.108 10.586 3.227 1.00 0.32 H new ATOM 0 HH11 ARG A 736 -13.533 8.043 2.782 1.00 62.02 H new ATOM 0 HH12 ARG A 736 -14.084 8.128 4.458 1.00 62.02 H new ATOM 0 HH21 ARG A 736 -11.821 10.689 5.350 1.00 11.22 H new ATOM 0 HH22 ARG A 736 -13.116 9.625 5.910 1.00 11.22 H new ATOM 481 N SER A 737 -9.021 12.314 -0.322 1.00 4.33 N ATOM 482 CA SER A 737 -8.920 13.678 0.166 1.00 22.25 C ATOM 483 C SER A 737 -8.205 14.568 -0.848 1.00 32.42 C ATOM 484 O SER A 737 -8.578 15.718 -1.054 1.00 4.35 O ATOM 485 CB SER A 737 -8.172 13.693 1.505 1.00 11.22 C ATOM 486 OG SER A 737 -8.141 14.989 2.070 1.00 32.42 O ATOM 0 H SER A 737 -8.358 11.666 0.103 1.00 4.33 H new ATOM 0 HA SER A 737 -9.926 14.071 0.310 1.00 22.25 H new ATOM 0 HB2 SER A 737 -8.654 13.004 2.199 1.00 11.22 H new ATOM 0 HB3 SER A 737 -7.153 13.336 1.357 1.00 11.22 H new ATOM 0 HG SER A 737 -7.659 14.963 2.923 1.00 32.42 H new ATOM 492 N HIS A 738 -7.187 14.021 -1.502 1.00 44.31 N ATOM 493 CA HIS A 738 -6.332 14.816 -2.377 1.00 12.32 C ATOM 494 C HIS A 738 -6.773 14.733 -3.838 1.00 54.33 C ATOM 495 O HIS A 738 -6.147 15.324 -4.715 1.00 54.42 O ATOM 496 CB HIS A 738 -4.872 14.375 -2.235 1.00 73.23 C ATOM 497 CG HIS A 738 -4.254 14.732 -0.910 1.00 10.23 C ATOM 498 ND1 HIS A 738 -2.904 14.923 -0.735 1.00 2.35 N ATOM 499 CD2 HIS A 738 -4.813 14.910 0.313 1.00 45.12 C ATOM 500 CE1 HIS A 738 -2.658 15.197 0.533 1.00 63.53 C ATOM 501 NE2 HIS A 738 -3.802 15.200 1.194 1.00 65.33 N ATOM 0 H HIS A 738 -6.934 13.035 -1.444 1.00 44.31 H new ATOM 0 HA HIS A 738 -6.424 15.857 -2.068 1.00 12.32 H new ATOM 0 HB2 HIS A 738 -4.814 13.295 -2.373 1.00 73.23 H new ATOM 0 HB3 HIS A 738 -4.286 14.831 -3.033 1.00 73.23 H new ATOM 0 HD2 HIS A 738 -5.864 14.837 0.550 1.00 45.12 H new ATOM 0 HE1 HIS A 738 -1.684 15.387 0.959 1.00 63.53 H new ATOM 0 HE2 HIS A 738 -3.915 15.386 2.191 1.00 65.33 H new ATOM 510 N GLY A 739 -7.841 13.988 -4.094 1.00 11.22 N ATOM 511 CA GLY A 739 -8.408 13.938 -5.433 1.00 73.55 C ATOM 512 C GLY A 739 -7.827 12.829 -6.291 1.00 53.33 C ATOM 513 O GLY A 739 -8.148 12.720 -7.473 1.00 61.34 O ATOM 0 H GLY A 739 -8.326 13.417 -3.401 1.00 11.22 H new ATOM 0 HA2 GLY A 739 -9.487 13.802 -5.358 1.00 73.55 H new ATOM 0 HA3 GLY A 739 -8.241 14.895 -5.927 1.00 73.55 H new ATOM 517 N PHE A 740 -6.976 12.001 -5.703 1.00 53.41 N ATOM 518 CA PHE A 740 -6.375 10.891 -6.430 1.00 64.00 C ATOM 519 C PHE A 740 -7.218 9.630 -6.283 1.00 44.14 C ATOM 520 O PHE A 740 -8.195 9.604 -5.533 1.00 64.54 O ATOM 521 CB PHE A 740 -4.958 10.613 -5.923 1.00 72.13 C ATOM 522 CG PHE A 740 -4.000 11.744 -6.141 1.00 63.30 C ATOM 523 CD1 PHE A 740 -3.419 11.949 -7.381 1.00 24.13 C ATOM 524 CD2 PHE A 740 -3.678 12.604 -5.104 1.00 43.14 C ATOM 525 CE1 PHE A 740 -2.535 12.991 -7.583 1.00 32.03 C ATOM 526 CE2 PHE A 740 -2.795 13.647 -5.299 1.00 22.31 C ATOM 527 CZ PHE A 740 -2.223 13.843 -6.540 1.00 43.33 C ATOM 0 H PHE A 740 -6.686 12.076 -4.728 1.00 53.41 H new ATOM 0 HA PHE A 740 -6.330 11.172 -7.482 1.00 64.00 H new ATOM 0 HB2 PHE A 740 -5.002 10.388 -4.857 1.00 72.13 H new ATOM 0 HB3 PHE A 740 -4.573 9.723 -6.421 1.00 72.13 H new ATOM 0 HD1 PHE A 740 -3.660 11.287 -8.199 1.00 24.13 H new ATOM 0 HD2 PHE A 740 -4.123 12.457 -4.131 1.00 43.14 H new ATOM 0 HE1 PHE A 740 -2.088 13.140 -8.555 1.00 32.03 H new ATOM 0 HE2 PHE A 740 -2.552 14.309 -4.481 1.00 22.31 H new ATOM 0 HZ PHE A 740 -1.534 14.660 -6.696 1.00 43.33 H new ATOM 537 N ALA A 741 -6.832 8.592 -7.005 1.00 71.04 N ATOM 538 CA ALA A 741 -7.454 7.287 -6.867 1.00 62.43 C ATOM 539 C ALA A 741 -6.486 6.340 -6.179 1.00 74.11 C ATOM 540 O ALA A 741 -5.277 6.468 -6.350 1.00 5.15 O ATOM 541 CB ALA A 741 -7.855 6.743 -8.231 1.00 43.53 C ATOM 0 H ALA A 741 -6.085 8.629 -7.698 1.00 71.04 H new ATOM 0 HA ALA A 741 -8.356 7.379 -6.262 1.00 62.43 H new ATOM 0 HB1 ALA A 741 -8.320 5.764 -8.110 1.00 43.53 H new ATOM 0 HB2 ALA A 741 -8.563 7.425 -8.701 1.00 43.53 H new ATOM 0 HB3 ALA A 741 -6.970 6.649 -8.860 1.00 43.53 H new ATOM 547 N ALA A 742 -7.005 5.410 -5.399 1.00 61.43 N ATOM 548 CA ALA A 742 -6.165 4.472 -4.672 1.00 3.12 C ATOM 549 C ALA A 742 -6.624 3.043 -4.919 1.00 42.24 C ATOM 550 O ALA A 742 -7.706 2.642 -4.482 1.00 73.40 O ATOM 551 CB ALA A 742 -6.178 4.790 -3.186 1.00 65.20 C ATOM 0 H ALA A 742 -8.006 5.283 -5.251 1.00 61.43 H new ATOM 0 HA ALA A 742 -5.142 4.570 -5.035 1.00 3.12 H new ATOM 0 HB1 ALA A 742 -5.544 4.079 -2.656 1.00 65.20 H new ATOM 0 HB2 ALA A 742 -5.801 5.800 -3.027 1.00 65.20 H new ATOM 0 HB3 ALA A 742 -7.198 4.719 -2.808 1.00 65.20 H new ATOM 557 N GLU A 743 -5.814 2.284 -5.634 1.00 71.53 N ATOM 558 CA GLU A 743 -6.162 0.914 -5.979 1.00 13.43 C ATOM 559 C GLU A 743 -4.972 -0.015 -5.783 1.00 62.14 C ATOM 560 O GLU A 743 -3.825 0.417 -5.838 1.00 31.44 O ATOM 561 CB GLU A 743 -6.661 0.842 -7.425 1.00 22.22 C ATOM 562 CG GLU A 743 -7.913 1.671 -7.670 1.00 24.01 C ATOM 563 CD GLU A 743 -8.446 1.530 -9.077 1.00 3.33 C ATOM 564 OE1 GLU A 743 -9.144 0.532 -9.352 1.00 44.04 O ATOM 565 OE2 GLU A 743 -8.182 2.420 -9.910 1.00 31.14 O ATOM 0 H GLU A 743 -4.909 2.592 -5.989 1.00 71.53 H new ATOM 0 HA GLU A 743 -6.961 0.587 -5.314 1.00 13.43 H new ATOM 0 HB2 GLU A 743 -5.870 1.184 -8.093 1.00 22.22 H new ATOM 0 HB3 GLU A 743 -6.866 -0.198 -7.680 1.00 22.22 H new ATOM 0 HG2 GLU A 743 -8.686 1.371 -6.962 1.00 24.01 H new ATOM 0 HG3 GLU A 743 -7.692 2.720 -7.474 1.00 24.01 H new ATOM 572 N PHE A 744 -5.253 -1.286 -5.548 1.00 73.13 N ATOM 573 CA PHE A 744 -4.205 -2.278 -5.339 1.00 74.33 C ATOM 574 C PHE A 744 -4.344 -3.404 -6.355 1.00 2.14 C ATOM 575 O PHE A 744 -5.364 -4.094 -6.390 1.00 22.12 O ATOM 576 CB PHE A 744 -4.278 -2.858 -3.921 1.00 54.43 C ATOM 577 CG PHE A 744 -4.055 -1.852 -2.825 1.00 43.35 C ATOM 578 CD1 PHE A 744 -5.115 -1.118 -2.313 1.00 23.14 C ATOM 579 CD2 PHE A 744 -2.790 -1.650 -2.300 1.00 13.43 C ATOM 580 CE1 PHE A 744 -4.913 -0.200 -1.300 1.00 1.12 C ATOM 581 CE2 PHE A 744 -2.583 -0.735 -1.288 1.00 72.30 C ATOM 582 CZ PHE A 744 -3.646 -0.007 -0.787 1.00 4.00 C ATOM 0 H PHE A 744 -6.201 -1.659 -5.497 1.00 73.13 H new ATOM 0 HA PHE A 744 -3.241 -1.786 -5.467 1.00 74.33 H new ATOM 0 HB2 PHE A 744 -5.255 -3.319 -3.780 1.00 54.43 H new ATOM 0 HB3 PHE A 744 -3.535 -3.650 -3.827 1.00 54.43 H new ATOM 0 HD1 PHE A 744 -6.108 -1.266 -2.710 1.00 23.14 H new ATOM 0 HD2 PHE A 744 -1.955 -2.215 -2.687 1.00 13.43 H new ATOM 0 HE1 PHE A 744 -5.746 0.366 -0.910 1.00 1.12 H new ATOM 0 HE2 PHE A 744 -1.591 -0.588 -0.888 1.00 72.30 H new ATOM 0 HZ PHE A 744 -3.486 0.711 0.004 1.00 4.00 H new ATOM 592 N LYS A 745 -3.327 -3.585 -7.182 1.00 2.34 N ATOM 593 CA LYS A 745 -3.358 -4.627 -8.199 1.00 30.21 C ATOM 594 C LYS A 745 -2.254 -5.649 -7.975 1.00 50.11 C ATOM 595 O LYS A 745 -1.177 -5.322 -7.469 1.00 13.31 O ATOM 596 CB LYS A 745 -3.234 -4.029 -9.608 1.00 24.11 C ATOM 597 CG LYS A 745 -2.003 -3.157 -9.806 1.00 11.45 C ATOM 598 CD LYS A 745 -1.322 -3.431 -11.142 1.00 72.21 C ATOM 599 CE LYS A 745 -2.282 -3.298 -12.314 1.00 33.12 C ATOM 600 NZ LYS A 745 -1.607 -3.577 -13.610 1.00 15.52 N ATOM 0 H LYS A 745 -2.473 -3.027 -7.171 1.00 2.34 H new ATOM 0 HA LYS A 745 -4.321 -5.131 -8.115 1.00 30.21 H new ATOM 0 HB2 LYS A 745 -3.212 -4.841 -10.335 1.00 24.11 H new ATOM 0 HB3 LYS A 745 -4.124 -3.436 -9.819 1.00 24.11 H new ATOM 0 HG2 LYS A 745 -2.290 -2.107 -9.753 1.00 11.45 H new ATOM 0 HG3 LYS A 745 -1.297 -3.336 -8.995 1.00 11.45 H new ATOM 0 HD2 LYS A 745 -0.492 -2.737 -11.274 1.00 72.21 H new ATOM 0 HD3 LYS A 745 -0.899 -4.436 -11.133 1.00 72.21 H new ATOM 0 HE2 LYS A 745 -3.116 -3.987 -12.182 1.00 33.12 H new ATOM 0 HE3 LYS A 745 -2.700 -2.291 -12.330 1.00 33.12 H new ATOM 0 HZ1 LYS A 745 -2.292 -3.477 -14.387 1.00 15.52 H new ATOM 0 HZ2 LYS A 745 -0.827 -2.903 -13.747 1.00 15.52 H new ATOM 0 HZ3 LYS A 745 -1.230 -4.546 -13.604 1.00 15.52 H new ATOM 614 N LEU A 746 -2.531 -6.885 -8.353 1.00 20.11 N ATOM 615 CA LEU A 746 -1.550 -7.952 -8.295 1.00 43.51 C ATOM 616 C LEU A 746 -0.846 -8.018 -9.643 1.00 45.40 C ATOM 617 O LEU A 746 -1.404 -8.510 -10.624 1.00 74.14 O ATOM 618 CB LEU A 746 -2.243 -9.283 -7.953 1.00 30.44 C ATOM 619 CG LEU A 746 -1.328 -10.445 -7.530 1.00 51.43 C ATOM 620 CD1 LEU A 746 -2.135 -11.507 -6.801 1.00 11.51 C ATOM 621 CD2 LEU A 746 -0.637 -11.071 -8.732 1.00 72.34 C ATOM 0 H LEU A 746 -3.442 -7.176 -8.708 1.00 20.11 H new ATOM 0 HA LEU A 746 -0.813 -7.761 -7.515 1.00 43.51 H new ATOM 0 HB2 LEU A 746 -2.955 -9.100 -7.149 1.00 30.44 H new ATOM 0 HB3 LEU A 746 -2.819 -9.601 -8.822 1.00 30.44 H new ATOM 0 HG LEU A 746 -0.565 -10.042 -6.864 1.00 51.43 H new ATOM 0 HD11 LEU A 746 -1.478 -12.325 -6.506 1.00 11.51 H new ATOM 0 HD12 LEU A 746 -2.592 -11.071 -5.913 1.00 11.51 H new ATOM 0 HD13 LEU A 746 -2.915 -11.888 -7.461 1.00 11.51 H new ATOM 0 HD21 LEU A 746 0.002 -11.889 -8.399 1.00 72.34 H new ATOM 0 HD22 LEU A 746 -1.387 -11.455 -9.424 1.00 72.34 H new ATOM 0 HD23 LEU A 746 -0.030 -10.318 -9.236 1.00 72.34 H new ATOM 633 N VAL A 747 0.368 -7.490 -9.693 1.00 30.25 N ATOM 634 CA VAL A 747 1.107 -7.384 -10.945 1.00 70.14 C ATOM 635 C VAL A 747 1.595 -8.751 -11.397 1.00 71.41 C ATOM 636 O VAL A 747 1.460 -9.121 -12.565 1.00 63.31 O ATOM 637 CB VAL A 747 2.313 -6.429 -10.811 1.00 2.53 C ATOM 638 CG1 VAL A 747 2.994 -6.226 -12.156 1.00 12.51 C ATOM 639 CG2 VAL A 747 1.875 -5.096 -10.224 1.00 63.23 C ATOM 0 H VAL A 747 0.864 -7.127 -8.879 1.00 30.25 H new ATOM 0 HA VAL A 747 0.423 -6.978 -11.690 1.00 70.14 H new ATOM 0 HB VAL A 747 3.034 -6.883 -10.132 1.00 2.53 H new ATOM 0 HG11 VAL A 747 3.840 -5.550 -12.037 1.00 12.51 H new ATOM 0 HG12 VAL A 747 3.347 -7.186 -12.534 1.00 12.51 H new ATOM 0 HG13 VAL A 747 2.283 -5.797 -12.862 1.00 12.51 H new ATOM 0 HG21 VAL A 747 2.738 -4.436 -10.137 1.00 63.23 H new ATOM 0 HG22 VAL A 747 1.132 -4.638 -10.877 1.00 63.23 H new ATOM 0 HG23 VAL A 747 1.441 -5.258 -9.237 1.00 63.23 H new ATOM 649 N ASP A 748 2.154 -9.503 -10.464 1.00 23.11 N ATOM 650 CA ASP A 748 2.684 -10.828 -10.760 1.00 63.13 C ATOM 651 C ASP A 748 2.809 -11.614 -9.466 1.00 64.51 C ATOM 652 O ASP A 748 2.742 -11.035 -8.385 1.00 61.11 O ATOM 653 CB ASP A 748 4.048 -10.713 -11.454 1.00 13.32 C ATOM 654 CG ASP A 748 4.556 -12.041 -11.984 1.00 20.32 C ATOM 655 OD1 ASP A 748 4.186 -12.416 -13.116 1.00 30.34 O ATOM 656 OD2 ASP A 748 5.316 -12.719 -11.269 1.00 74.11 O ATOM 0 H ASP A 748 2.254 -9.219 -9.490 1.00 23.11 H new ATOM 0 HA ASP A 748 2.005 -11.350 -11.434 1.00 63.13 H new ATOM 0 HB2 ASP A 748 3.972 -10.004 -12.278 1.00 13.32 H new ATOM 0 HB3 ASP A 748 4.775 -10.307 -10.750 1.00 13.32 H new ATOM 661 N GLN A 749 2.964 -12.920 -9.559 1.00 23.54 N ATOM 662 CA GLN A 749 3.116 -13.737 -8.373 1.00 51.35 C ATOM 663 C GLN A 749 4.184 -14.801 -8.585 1.00 52.22 C ATOM 664 O GLN A 749 4.144 -15.558 -9.555 1.00 14.13 O ATOM 665 CB GLN A 749 1.768 -14.350 -7.958 1.00 21.05 C ATOM 666 CG GLN A 749 1.079 -15.184 -9.039 1.00 34.43 C ATOM 667 CD GLN A 749 1.421 -16.667 -8.993 1.00 23.31 C ATOM 668 OE1 GLN A 749 1.586 -17.220 -7.798 1.00 45.11 O flip ATOM 669 NE2 GLN A 749 1.494 -17.326 -10.031 1.00 73.04 N flip ATOM 0 H GLN A 749 2.988 -13.435 -10.439 1.00 23.54 H new ATOM 0 HA GLN A 749 3.450 -13.101 -7.553 1.00 51.35 H new ATOM 0 HB2 GLN A 749 1.926 -14.978 -7.081 1.00 21.05 H new ATOM 0 HB3 GLN A 749 1.097 -13.545 -7.658 1.00 21.05 H new ATOM 0 HG2 GLN A 749 -0.000 -15.068 -8.939 1.00 34.43 H new ATOM 0 HG3 GLN A 749 1.353 -14.789 -10.017 1.00 34.43 H new ATOM 0 HE21 GLN A 749 1.362 -16.871 -10.934 1.00 73.04 H new ATOM 0 HE22 GLN A 749 1.686 -18.327 -9.987 1.00 73.04 H new ATOM 678 N SER A 750 5.152 -14.827 -7.687 1.00 10.15 N ATOM 679 CA SER A 750 6.241 -15.780 -7.758 1.00 1.40 C ATOM 680 C SER A 750 6.329 -16.544 -6.445 1.00 30.15 C ATOM 681 O SER A 750 6.837 -16.023 -5.450 1.00 44.44 O ATOM 682 CB SER A 750 7.563 -15.056 -8.030 1.00 72.04 C ATOM 683 OG SER A 750 7.466 -14.213 -9.166 1.00 21.13 O ATOM 0 H SER A 750 5.204 -14.190 -6.892 1.00 10.15 H new ATOM 0 HA SER A 750 6.053 -16.478 -8.574 1.00 1.40 H new ATOM 0 HB2 SER A 750 7.842 -14.464 -7.158 1.00 72.04 H new ATOM 0 HB3 SER A 750 8.356 -15.788 -8.185 1.00 72.04 H new ATOM 0 HG SER A 750 8.324 -13.763 -9.314 1.00 21.13 H new ATOM 689 N GLY A 751 5.817 -17.761 -6.422 1.00 21.43 N ATOM 690 CA GLY A 751 5.841 -18.519 -5.196 1.00 54.33 C ATOM 691 C GLY A 751 5.348 -19.939 -5.348 1.00 74.12 C ATOM 692 O GLY A 751 4.325 -20.187 -5.995 1.00 15.21 O ATOM 0 H GLY A 751 5.390 -18.232 -7.220 1.00 21.43 H new ATOM 0 HA2 GLY A 751 6.861 -18.537 -4.811 1.00 54.33 H new ATOM 0 HA3 GLY A 751 5.229 -18.009 -4.452 1.00 54.33 H new ATOM 696 N PRO A 752 6.082 -20.894 -4.764 1.00 12.31 N ATOM 697 CA PRO A 752 5.659 -22.297 -4.667 1.00 54.04 C ATOM 698 C PRO A 752 4.374 -22.438 -3.850 1.00 41.50 C ATOM 699 O PRO A 752 3.949 -21.490 -3.192 1.00 50.33 O ATOM 700 CB PRO A 752 6.830 -22.969 -3.934 1.00 63.04 C ATOM 701 CG PRO A 752 7.550 -21.859 -3.253 1.00 64.34 C ATOM 702 CD PRO A 752 7.404 -20.677 -4.155 1.00 15.21 C ATOM 0 HA PRO A 752 5.443 -22.736 -5.641 1.00 54.04 H new ATOM 0 HB2 PRO A 752 6.474 -23.707 -3.215 1.00 63.04 H new ATOM 0 HB3 PRO A 752 7.483 -23.493 -4.632 1.00 63.04 H new ATOM 0 HG2 PRO A 752 7.123 -21.658 -2.271 1.00 64.34 H new ATOM 0 HG3 PRO A 752 8.600 -22.108 -3.099 1.00 64.34 H new ATOM 0 HD2 PRO A 752 7.446 -19.739 -3.602 1.00 15.21 H new ATOM 0 HD3 PRO A 752 8.194 -20.640 -4.905 1.00 15.21 H new ATOM 710 N PRO A 753 3.739 -23.623 -3.861 1.00 3.42 N ATOM 711 CA PRO A 753 2.489 -23.852 -3.125 1.00 25.40 C ATOM 712 C PRO A 753 2.642 -23.623 -1.623 1.00 1.24 C ATOM 713 O PRO A 753 1.688 -23.249 -0.943 1.00 63.31 O ATOM 714 CB PRO A 753 2.154 -25.320 -3.406 1.00 72.25 C ATOM 715 CG PRO A 753 3.419 -25.928 -3.908 1.00 45.22 C ATOM 716 CD PRO A 753 4.167 -24.824 -4.595 1.00 34.13 C ATOM 0 HA PRO A 753 1.710 -23.159 -3.443 1.00 25.40 H new ATOM 0 HB2 PRO A 753 1.808 -25.823 -2.503 1.00 72.25 H new ATOM 0 HB3 PRO A 753 1.357 -25.406 -4.145 1.00 72.25 H new ATOM 0 HG2 PRO A 753 4.004 -26.343 -3.088 1.00 45.22 H new ATOM 0 HG3 PRO A 753 3.211 -26.746 -4.598 1.00 45.22 H new ATOM 0 HD2 PRO A 753 5.246 -24.970 -4.535 1.00 34.13 H new ATOM 0 HD3 PRO A 753 3.912 -24.762 -5.653 1.00 34.13 H new ATOM 724 N HIS A 754 3.848 -23.835 -1.113 1.00 31.00 N ATOM 725 CA HIS A 754 4.107 -23.678 0.312 1.00 30.45 C ATOM 726 C HIS A 754 4.479 -22.235 0.658 1.00 5.42 C ATOM 727 O HIS A 754 4.405 -21.831 1.818 1.00 63.22 O ATOM 728 CB HIS A 754 5.212 -24.643 0.773 1.00 44.03 C ATOM 729 CG HIS A 754 6.531 -24.467 0.073 1.00 15.21 C ATOM 730 ND1 HIS A 754 6.829 -25.162 -1.075 1.00 44.04 N ATOM 731 CD2 HIS A 754 7.590 -23.690 0.406 1.00 55.23 C ATOM 732 CE1 HIS A 754 8.056 -24.797 -1.411 1.00 35.15 C ATOM 733 NE2 HIS A 754 8.557 -23.907 -0.543 1.00 61.45 N ATOM 0 H HIS A 754 4.660 -24.115 -1.663 1.00 31.00 H new ATOM 0 HA HIS A 754 3.187 -23.922 0.843 1.00 30.45 H new ATOM 0 HB2 HIS A 754 5.365 -24.514 1.845 1.00 44.03 H new ATOM 0 HB3 HIS A 754 4.869 -25.666 0.621 1.00 44.03 H new ATOM 0 HD2 HIS A 754 7.660 -23.027 1.256 1.00 55.23 H new ATOM 0 HE1 HIS A 754 8.586 -25.169 -2.275 1.00 35.15 H new ATOM 0 HE2 HIS A 754 9.480 -23.474 -0.581 1.00 61.45 H new ATOM 741 N GLU A 755 4.852 -21.455 -0.351 1.00 3.23 N ATOM 742 CA GLU A 755 5.314 -20.089 -0.125 1.00 33.23 C ATOM 743 C GLU A 755 5.064 -19.193 -1.339 1.00 31.30 C ATOM 744 O GLU A 755 6.004 -18.783 -2.020 1.00 20.21 O ATOM 745 CB GLU A 755 6.805 -20.091 0.216 1.00 0.14 C ATOM 746 CG GLU A 755 7.092 -19.977 1.702 1.00 33.05 C ATOM 747 CD GLU A 755 6.572 -18.685 2.297 1.00 3.42 C ATOM 748 OE1 GLU A 755 7.141 -17.614 1.993 1.00 14.00 O ATOM 749 OE2 GLU A 755 5.604 -18.732 3.083 1.00 53.31 O ATOM 0 H GLU A 755 4.844 -21.743 -1.329 1.00 3.23 H new ATOM 0 HA GLU A 755 4.744 -19.684 0.711 1.00 33.23 H new ATOM 0 HB2 GLU A 755 7.254 -21.010 -0.162 1.00 0.14 H new ATOM 0 HB3 GLU A 755 7.288 -19.263 -0.303 1.00 0.14 H new ATOM 0 HG2 GLU A 755 6.638 -20.821 2.222 1.00 33.05 H new ATOM 0 HG3 GLU A 755 8.168 -20.042 1.867 1.00 33.05 H new ATOM 756 N PRO A 756 3.795 -18.879 -1.632 1.00 11.40 N ATOM 757 CA PRO A 756 3.444 -18.029 -2.767 1.00 61.41 C ATOM 758 C PRO A 756 3.623 -16.541 -2.467 1.00 24.12 C ATOM 759 O PRO A 756 2.866 -15.952 -1.696 1.00 4.53 O ATOM 760 CB PRO A 756 1.974 -18.364 -3.004 1.00 30.13 C ATOM 761 CG PRO A 756 1.446 -18.746 -1.662 1.00 53.32 C ATOM 762 CD PRO A 756 2.599 -19.339 -0.896 1.00 60.10 C ATOM 0 HA PRO A 756 4.084 -18.211 -3.631 1.00 61.41 H new ATOM 0 HB2 PRO A 756 1.435 -17.509 -3.412 1.00 30.13 H new ATOM 0 HB3 PRO A 756 1.865 -19.180 -3.718 1.00 30.13 H new ATOM 0 HG2 PRO A 756 1.043 -17.876 -1.143 1.00 53.32 H new ATOM 0 HG3 PRO A 756 0.633 -19.466 -1.757 1.00 53.32 H new ATOM 0 HD2 PRO A 756 2.610 -18.994 0.138 1.00 60.10 H new ATOM 0 HD3 PRO A 756 2.542 -20.427 -0.869 1.00 60.10 H new ATOM 770 N LYS A 757 4.642 -15.936 -3.063 1.00 52.25 N ATOM 771 CA LYS A 757 4.871 -14.506 -2.910 1.00 75.31 C ATOM 772 C LYS A 757 4.165 -13.731 -4.018 1.00 21.21 C ATOM 773 O LYS A 757 4.498 -13.864 -5.195 1.00 43.02 O ATOM 774 CB LYS A 757 6.370 -14.181 -2.918 1.00 54.00 C ATOM 775 CG LYS A 757 6.941 -13.833 -1.549 1.00 63.14 C ATOM 776 CD LYS A 757 7.107 -15.052 -0.650 1.00 62.52 C ATOM 777 CE LYS A 757 8.136 -16.025 -1.204 1.00 41.13 C ATOM 778 NZ LYS A 757 8.631 -16.965 -0.164 1.00 23.44 N ATOM 0 H LYS A 757 5.322 -16.412 -3.656 1.00 52.25 H new ATOM 0 HA LYS A 757 4.460 -14.204 -1.947 1.00 75.31 H new ATOM 0 HB2 LYS A 757 6.914 -15.036 -3.319 1.00 54.00 H new ATOM 0 HB3 LYS A 757 6.546 -13.345 -3.596 1.00 54.00 H new ATOM 0 HG2 LYS A 757 7.908 -13.347 -1.677 1.00 63.14 H new ATOM 0 HG3 LYS A 757 6.285 -13.113 -1.059 1.00 63.14 H new ATOM 0 HD2 LYS A 757 7.410 -14.730 0.346 1.00 62.52 H new ATOM 0 HD3 LYS A 757 6.148 -15.559 -0.543 1.00 62.52 H new ATOM 0 HE2 LYS A 757 7.694 -16.591 -2.024 1.00 41.13 H new ATOM 0 HE3 LYS A 757 8.976 -15.467 -1.618 1.00 41.13 H new ATOM 0 HZ1 LYS A 757 8.957 -17.843 -0.616 1.00 23.44 H new ATOM 0 HZ2 LYS A 757 9.421 -16.527 0.352 1.00 23.44 H new ATOM 0 HZ3 LYS A 757 7.862 -17.183 0.501 1.00 23.44 H new ATOM 792 N PHE A 758 3.188 -12.929 -3.631 1.00 14.24 N ATOM 793 CA PHE A 758 2.418 -12.136 -4.576 1.00 35.31 C ATOM 794 C PHE A 758 2.971 -10.720 -4.647 1.00 54.32 C ATOM 795 O PHE A 758 3.183 -10.078 -3.617 1.00 20.45 O ATOM 796 CB PHE A 758 0.947 -12.094 -4.158 1.00 22.11 C ATOM 797 CG PHE A 758 0.348 -13.450 -3.921 1.00 33.22 C ATOM 798 CD1 PHE A 758 -0.062 -14.236 -4.983 1.00 52.40 C ATOM 799 CD2 PHE A 758 0.195 -13.938 -2.634 1.00 22.44 C ATOM 800 CE1 PHE A 758 -0.611 -15.485 -4.766 1.00 15.25 C ATOM 801 CE2 PHE A 758 -0.354 -15.185 -2.411 1.00 75.22 C ATOM 802 CZ PHE A 758 -0.756 -15.959 -3.479 1.00 2.02 C ATOM 0 H PHE A 758 2.906 -12.809 -2.658 1.00 14.24 H new ATOM 0 HA PHE A 758 2.495 -12.599 -5.560 1.00 35.31 H new ATOM 0 HB2 PHE A 758 0.854 -11.501 -3.248 1.00 22.11 H new ATOM 0 HB3 PHE A 758 0.373 -11.583 -4.931 1.00 22.11 H new ATOM 0 HD1 PHE A 758 0.048 -13.869 -5.993 1.00 52.40 H new ATOM 0 HD2 PHE A 758 0.509 -13.336 -1.794 1.00 22.44 H new ATOM 0 HE1 PHE A 758 -0.926 -16.090 -5.603 1.00 15.25 H new ATOM 0 HE2 PHE A 758 -0.468 -15.553 -1.402 1.00 75.22 H new ATOM 0 HZ PHE A 758 -1.184 -16.936 -3.308 1.00 2.02 H new ATOM 812 N VAL A 759 3.209 -10.242 -5.859 1.00 34.21 N ATOM 813 CA VAL A 759 3.717 -8.897 -6.064 1.00 4.13 C ATOM 814 C VAL A 759 2.562 -7.925 -6.279 1.00 75.45 C ATOM 815 O VAL A 759 1.927 -7.915 -7.341 1.00 52.01 O ATOM 816 CB VAL A 759 4.687 -8.823 -7.264 1.00 13.31 C ATOM 817 CG1 VAL A 759 5.256 -7.419 -7.413 1.00 14.41 C ATOM 818 CG2 VAL A 759 5.808 -9.843 -7.113 1.00 13.34 C ATOM 0 H VAL A 759 3.057 -10.770 -6.718 1.00 34.21 H new ATOM 0 HA VAL A 759 4.271 -8.619 -5.167 1.00 4.13 H new ATOM 0 HB VAL A 759 4.127 -9.061 -8.168 1.00 13.31 H new ATOM 0 HG11 VAL A 759 5.936 -7.391 -8.264 1.00 14.41 H new ATOM 0 HG12 VAL A 759 4.442 -6.712 -7.575 1.00 14.41 H new ATOM 0 HG13 VAL A 759 5.797 -7.148 -6.507 1.00 14.41 H new ATOM 0 HG21 VAL A 759 6.480 -9.774 -7.968 1.00 13.34 H new ATOM 0 HG22 VAL A 759 6.364 -9.640 -6.198 1.00 13.34 H new ATOM 0 HG23 VAL A 759 5.383 -10.846 -7.065 1.00 13.34 H new ATOM 828 N TYR A 760 2.290 -7.137 -5.254 1.00 22.24 N ATOM 829 CA TYR A 760 1.224 -6.153 -5.289 1.00 1.20 C ATOM 830 C TYR A 760 1.787 -4.761 -5.506 1.00 64.02 C ATOM 831 O TYR A 760 2.863 -4.430 -5.007 1.00 30.20 O ATOM 832 CB TYR A 760 0.429 -6.183 -3.981 1.00 75.15 C ATOM 833 CG TYR A 760 -0.850 -6.978 -4.064 1.00 42.42 C ATOM 834 CD1 TYR A 760 -0.853 -8.357 -3.907 1.00 15.50 C ATOM 835 CD2 TYR A 760 -2.059 -6.339 -4.300 1.00 22.43 C ATOM 836 CE1 TYR A 760 -2.029 -9.078 -3.983 1.00 11.02 C ATOM 837 CE2 TYR A 760 -3.236 -7.050 -4.376 1.00 30.24 C ATOM 838 CZ TYR A 760 -3.216 -8.419 -4.219 1.00 61.40 C ATOM 839 OH TYR A 760 -4.392 -9.126 -4.299 1.00 23.13 O ATOM 0 H TYR A 760 2.803 -7.162 -4.373 1.00 22.24 H new ATOM 0 HA TYR A 760 0.562 -6.401 -6.119 1.00 1.20 H new ATOM 0 HB2 TYR A 760 1.056 -6.603 -3.195 1.00 75.15 H new ATOM 0 HB3 TYR A 760 0.192 -5.160 -3.687 1.00 75.15 H new ATOM 0 HD1 TYR A 760 0.077 -8.874 -3.723 1.00 15.50 H new ATOM 0 HD2 TYR A 760 -2.077 -5.267 -4.426 1.00 22.43 H new ATOM 0 HE1 TYR A 760 -2.018 -10.151 -3.858 1.00 11.02 H new ATOM 0 HE2 TYR A 760 -4.169 -6.538 -4.558 1.00 30.24 H new ATOM 0 HH TYR A 760 -5.134 -8.509 -4.469 1.00 23.13 H new ATOM 849 N GLN A 761 1.059 -3.953 -6.254 1.00 20.44 N ATOM 850 CA GLN A 761 1.456 -2.580 -6.499 1.00 3.20 C ATOM 851 C GLN A 761 0.260 -1.657 -6.337 1.00 74.23 C ATOM 852 O GLN A 761 -0.839 -1.958 -6.816 1.00 22.51 O ATOM 853 CB GLN A 761 2.059 -2.444 -7.898 1.00 32.45 C ATOM 854 CG GLN A 761 2.538 -1.042 -8.233 1.00 1.34 C ATOM 855 CD GLN A 761 3.264 -0.990 -9.560 1.00 23.44 C ATOM 856 OE1 GLN A 761 2.651 -0.821 -10.613 1.00 14.42 O ATOM 857 NE2 GLN A 761 4.580 -1.118 -9.520 1.00 11.32 N ATOM 0 H GLN A 761 0.185 -4.226 -6.704 1.00 20.44 H new ATOM 0 HA GLN A 761 2.215 -2.295 -5.771 1.00 3.20 H new ATOM 0 HB2 GLN A 761 2.898 -3.134 -7.989 1.00 32.45 H new ATOM 0 HB3 GLN A 761 1.315 -2.748 -8.634 1.00 32.45 H new ATOM 0 HG2 GLN A 761 1.684 -0.365 -8.261 1.00 1.34 H new ATOM 0 HG3 GLN A 761 3.201 -0.688 -7.444 1.00 1.34 H new ATOM 0 HE21 GLN A 761 5.052 -1.257 -8.626 1.00 11.32 H new ATOM 0 HE22 GLN A 761 5.123 -1.078 -10.383 1.00 11.32 H new ATOM 866 N ALA A 762 0.469 -0.550 -5.646 1.00 72.42 N ATOM 867 CA ALA A 762 -0.596 0.403 -5.397 1.00 55.30 C ATOM 868 C ALA A 762 -0.640 1.469 -6.483 1.00 65.11 C ATOM 869 O ALA A 762 0.366 2.108 -6.789 1.00 62.30 O ATOM 870 CB ALA A 762 -0.435 1.043 -4.027 1.00 31.51 C ATOM 0 H ALA A 762 1.370 -0.289 -5.246 1.00 72.42 H new ATOM 0 HA ALA A 762 -1.542 -0.138 -5.416 1.00 55.30 H new ATOM 0 HB1 ALA A 762 -1.244 1.754 -3.860 1.00 31.51 H new ATOM 0 HB2 ALA A 762 -0.467 0.271 -3.259 1.00 31.51 H new ATOM 0 HB3 ALA A 762 0.521 1.563 -3.979 1.00 31.51 H new ATOM 876 N LYS A 763 -1.808 1.635 -7.071 1.00 72.33 N ATOM 877 CA LYS A 763 -2.027 2.655 -8.075 1.00 52.12 C ATOM 878 C LYS A 763 -2.658 3.874 -7.423 1.00 33.20 C ATOM 879 O LYS A 763 -3.827 3.839 -7.029 1.00 45.34 O ATOM 880 CB LYS A 763 -2.944 2.128 -9.180 1.00 43.22 C ATOM 881 CG LYS A 763 -3.154 3.111 -10.321 1.00 24.14 C ATOM 882 CD LYS A 763 -4.226 2.623 -11.284 1.00 31.45 C ATOM 883 CE LYS A 763 -4.325 3.523 -12.503 1.00 33.53 C ATOM 884 NZ LYS A 763 -5.430 3.113 -13.410 1.00 71.31 N ATOM 0 H LYS A 763 -2.630 1.067 -6.866 1.00 72.33 H new ATOM 0 HA LYS A 763 -1.070 2.929 -8.519 1.00 52.12 H new ATOM 0 HB2 LYS A 763 -2.523 1.205 -9.580 1.00 43.22 H new ATOM 0 HB3 LYS A 763 -3.912 1.875 -8.747 1.00 43.22 H new ATOM 0 HG2 LYS A 763 -3.440 4.083 -9.918 1.00 24.14 H new ATOM 0 HG3 LYS A 763 -2.217 3.252 -10.859 1.00 24.14 H new ATOM 0 HD2 LYS A 763 -3.998 1.605 -11.599 1.00 31.45 H new ATOM 0 HD3 LYS A 763 -5.189 2.591 -10.774 1.00 31.45 H new ATOM 0 HE2 LYS A 763 -4.483 4.553 -12.182 1.00 33.53 H new ATOM 0 HE3 LYS A 763 -3.381 3.500 -13.048 1.00 33.53 H new ATOM 0 HZ1 LYS A 763 -5.463 3.753 -14.229 1.00 71.31 H new ATOM 0 HZ2 LYS A 763 -5.267 2.140 -13.738 1.00 71.31 H new ATOM 0 HZ3 LYS A 763 -6.334 3.159 -12.898 1.00 71.31 H new ATOM 898 N VAL A 764 -1.884 4.933 -7.286 1.00 11.42 N ATOM 899 CA VAL A 764 -2.378 6.157 -6.681 1.00 30.25 C ATOM 900 C VAL A 764 -2.358 7.287 -7.699 1.00 15.23 C ATOM 901 O VAL A 764 -1.302 7.838 -8.023 1.00 23.14 O ATOM 902 CB VAL A 764 -1.574 6.548 -5.426 1.00 64.44 C ATOM 903 CG1 VAL A 764 -2.114 7.833 -4.816 1.00 1.45 C ATOM 904 CG2 VAL A 764 -1.615 5.419 -4.409 1.00 50.35 C ATOM 0 H VAL A 764 -0.910 4.972 -7.585 1.00 11.42 H new ATOM 0 HA VAL A 764 -3.405 5.977 -6.363 1.00 30.25 H new ATOM 0 HB VAL A 764 -0.539 6.722 -5.719 1.00 64.44 H new ATOM 0 HG11 VAL A 764 -1.531 8.089 -3.931 1.00 1.45 H new ATOM 0 HG12 VAL A 764 -2.041 8.640 -5.545 1.00 1.45 H new ATOM 0 HG13 VAL A 764 -3.157 7.692 -4.534 1.00 1.45 H new ATOM 0 HG21 VAL A 764 -1.044 5.704 -3.525 1.00 50.35 H new ATOM 0 HG22 VAL A 764 -2.649 5.222 -4.125 1.00 50.35 H new ATOM 0 HG23 VAL A 764 -1.181 4.520 -4.846 1.00 50.35 H new ATOM 914 N GLY A 765 -3.535 7.612 -8.207 1.00 23.15 N ATOM 915 CA GLY A 765 -3.643 8.585 -9.270 1.00 53.32 C ATOM 916 C GLY A 765 -3.086 8.036 -10.561 1.00 61.34 C ATOM 917 O GLY A 765 -3.617 7.069 -11.109 1.00 5.25 O ATOM 0 H GLY A 765 -4.423 7.216 -7.899 1.00 23.15 H new ATOM 0 HA2 GLY A 765 -4.688 8.863 -9.409 1.00 53.32 H new ATOM 0 HA3 GLY A 765 -3.106 9.492 -8.994 1.00 53.32 H new ATOM 921 N GLY A 766 -2.012 8.639 -11.041 1.00 24.05 N ATOM 922 CA GLY A 766 -1.343 8.132 -12.219 1.00 14.24 C ATOM 923 C GLY A 766 -0.003 7.526 -11.872 1.00 52.45 C ATOM 924 O GLY A 766 0.793 7.204 -12.753 1.00 22.10 O ATOM 0 H GLY A 766 -1.590 9.474 -10.635 1.00 24.05 H new ATOM 0 HA2 GLY A 766 -1.970 7.382 -12.701 1.00 14.24 H new ATOM 0 HA3 GLY A 766 -1.204 8.940 -12.937 1.00 14.24 H new ATOM 928 N ARG A 767 0.245 7.371 -10.579 1.00 22.42 N ATOM 929 CA ARG A 767 1.510 6.843 -10.101 1.00 50.50 C ATOM 930 C ARG A 767 1.335 5.422 -9.591 1.00 2.12 C ATOM 931 O ARG A 767 0.311 5.081 -8.999 1.00 41.22 O ATOM 932 CB ARG A 767 2.082 7.729 -8.994 1.00 5.32 C ATOM 933 CG ARG A 767 2.297 9.171 -9.421 1.00 11.30 C ATOM 934 CD ARG A 767 2.896 10.003 -8.299 1.00 3.51 C ATOM 935 NE ARG A 767 2.942 11.422 -8.644 1.00 61.22 N ATOM 936 CZ ARG A 767 3.610 12.343 -7.948 1.00 4.20 C ATOM 937 NH1 ARG A 767 4.335 11.986 -6.891 1.00 64.32 N ATOM 938 NH2 ARG A 767 3.563 13.617 -8.321 1.00 43.02 N ATOM 0 H ARG A 767 -0.419 7.606 -9.841 1.00 22.42 H new ATOM 0 HA ARG A 767 2.210 6.834 -10.936 1.00 50.50 H new ATOM 0 HB2 ARG A 767 1.407 7.709 -8.138 1.00 5.32 H new ATOM 0 HB3 ARG A 767 3.032 7.312 -8.660 1.00 5.32 H new ATOM 0 HG2 ARG A 767 2.957 9.200 -10.288 1.00 11.30 H new ATOM 0 HG3 ARG A 767 1.346 9.606 -9.729 1.00 11.30 H new ATOM 0 HD2 ARG A 767 2.307 9.868 -7.392 1.00 3.51 H new ATOM 0 HD3 ARG A 767 3.903 9.649 -8.081 1.00 3.51 H new ATOM 0 HE ARG A 767 2.430 11.728 -9.471 1.00 61.22 H new ATOM 0 HH11 ARG A 767 4.381 11.006 -6.611 1.00 64.32 H new ATOM 0 HH12 ARG A 767 4.845 12.692 -6.360 1.00 64.32 H new ATOM 0 HH21 ARG A 767 3.017 13.889 -9.138 1.00 43.02 H new ATOM 0 HH22 ARG A 767 4.073 14.323 -7.790 1.00 43.02 H new ATOM 952 N TRP A 768 2.340 4.603 -9.829 1.00 50.34 N ATOM 953 CA TRP A 768 2.311 3.207 -9.435 1.00 24.11 C ATOM 954 C TRP A 768 3.403 2.935 -8.412 1.00 63.32 C ATOM 955 O TRP A 768 4.578 2.822 -8.764 1.00 35.13 O ATOM 956 CB TRP A 768 2.507 2.313 -10.658 1.00 30.32 C ATOM 957 CG TRP A 768 1.473 2.518 -11.721 1.00 30.12 C ATOM 958 CD1 TRP A 768 1.447 3.510 -12.660 1.00 12.14 C ATOM 959 CD2 TRP A 768 0.320 1.707 -11.959 1.00 72.03 C ATOM 960 NE1 TRP A 768 0.341 3.368 -13.461 1.00 12.35 N ATOM 961 CE2 TRP A 768 -0.364 2.268 -13.053 1.00 12.12 C ATOM 962 CE3 TRP A 768 -0.203 0.563 -11.355 1.00 25.13 C ATOM 963 CZ2 TRP A 768 -1.542 1.722 -13.552 1.00 33.23 C ATOM 964 CZ3 TRP A 768 -1.371 0.024 -11.853 1.00 54.14 C ATOM 965 CH2 TRP A 768 -2.029 0.603 -12.941 1.00 30.11 C ATOM 0 H TRP A 768 3.199 4.885 -10.300 1.00 50.34 H new ATOM 0 HA TRP A 768 1.342 2.985 -8.988 1.00 24.11 H new ATOM 0 HB2 TRP A 768 3.494 2.501 -11.081 1.00 30.32 H new ATOM 0 HB3 TRP A 768 2.490 1.270 -10.342 1.00 30.32 H new ATOM 0 HD1 TRP A 768 2.187 4.291 -12.758 1.00 12.14 H new ATOM 0 HE1 TRP A 768 0.086 3.982 -14.234 1.00 12.35 H new ATOM 0 HE3 TRP A 768 0.297 0.108 -10.513 1.00 25.13 H new ATOM 0 HZ2 TRP A 768 -2.053 2.168 -14.393 1.00 33.23 H new ATOM 0 HZ3 TRP A 768 -1.784 -0.862 -11.394 1.00 54.14 H new ATOM 0 HH2 TRP A 768 -2.942 0.156 -13.306 1.00 30.11 H new ATOM 976 N PHE A 769 3.015 2.841 -7.149 1.00 40.04 N ATOM 977 CA PHE A 769 3.969 2.657 -6.068 1.00 14.02 C ATOM 978 C PHE A 769 3.240 2.310 -4.775 1.00 20.43 C ATOM 979 O PHE A 769 2.162 2.835 -4.499 1.00 62.42 O ATOM 980 CB PHE A 769 4.823 3.922 -5.864 1.00 23.31 C ATOM 981 CG PHE A 769 4.063 5.104 -5.323 1.00 51.43 C ATOM 982 CD1 PHE A 769 3.278 5.886 -6.155 1.00 74.00 C ATOM 983 CD2 PHE A 769 4.131 5.429 -3.977 1.00 22.30 C ATOM 984 CE1 PHE A 769 2.581 6.968 -5.657 1.00 61.35 C ATOM 985 CE2 PHE A 769 3.433 6.510 -3.472 1.00 22.04 C ATOM 986 CZ PHE A 769 2.656 7.281 -4.315 1.00 62.22 C ATOM 0 H PHE A 769 2.042 2.889 -6.848 1.00 40.04 H new ATOM 0 HA PHE A 769 4.631 1.835 -6.339 1.00 14.02 H new ATOM 0 HB2 PHE A 769 5.640 3.688 -5.182 1.00 23.31 H new ATOM 0 HB3 PHE A 769 5.273 4.200 -6.817 1.00 23.31 H new ATOM 0 HD1 PHE A 769 3.211 5.646 -7.206 1.00 74.00 H new ATOM 0 HD2 PHE A 769 4.737 4.830 -3.314 1.00 22.30 H new ATOM 0 HE1 PHE A 769 1.976 7.571 -6.318 1.00 61.35 H new ATOM 0 HE2 PHE A 769 3.495 6.751 -2.421 1.00 22.04 H new ATOM 0 HZ PHE A 769 2.109 8.126 -3.925 1.00 62.22 H new ATOM 996 N PRO A 770 3.814 1.411 -3.975 1.00 44.32 N ATOM 997 CA PRO A 770 5.031 0.698 -4.313 1.00 44.13 C ATOM 998 C PRO A 770 4.743 -0.701 -4.849 1.00 24.11 C ATOM 999 O PRO A 770 3.586 -1.108 -4.963 1.00 40.12 O ATOM 1000 CB PRO A 770 5.716 0.614 -2.955 1.00 40.15 C ATOM 1001 CG PRO A 770 4.588 0.471 -1.978 1.00 55.12 C ATOM 1002 CD PRO A 770 3.348 1.038 -2.637 1.00 43.04 C ATOM 0 HA PRO A 770 5.615 1.184 -5.094 1.00 44.13 H new ATOM 0 HB2 PRO A 770 6.396 -0.237 -2.905 1.00 40.15 H new ATOM 0 HB3 PRO A 770 6.307 1.507 -2.752 1.00 40.15 H new ATOM 0 HG2 PRO A 770 4.438 -0.576 -1.714 1.00 55.12 H new ATOM 0 HG3 PRO A 770 4.810 1.004 -1.054 1.00 55.12 H new ATOM 0 HD2 PRO A 770 2.545 0.302 -2.682 1.00 43.04 H new ATOM 0 HD3 PRO A 770 2.961 1.899 -2.092 1.00 43.04 H new ATOM 1010 N ALA A 771 5.795 -1.428 -5.178 1.00 34.31 N ATOM 1011 CA ALA A 771 5.670 -2.817 -5.580 1.00 51.21 C ATOM 1012 C ALA A 771 6.270 -3.713 -4.508 1.00 1.40 C ATOM 1013 O ALA A 771 7.478 -3.688 -4.269 1.00 43.41 O ATOM 1014 CB ALA A 771 6.350 -3.052 -6.919 1.00 52.02 C ATOM 0 H ALA A 771 6.752 -1.076 -5.174 1.00 34.31 H new ATOM 0 HA ALA A 771 4.614 -3.060 -5.695 1.00 51.21 H new ATOM 0 HB1 ALA A 771 6.245 -4.099 -7.202 1.00 52.02 H new ATOM 0 HB2 ALA A 771 5.886 -2.423 -7.678 1.00 52.02 H new ATOM 0 HB3 ALA A 771 7.408 -2.803 -6.838 1.00 52.02 H new ATOM 1020 N VAL A 772 5.424 -4.479 -3.843 1.00 73.02 N ATOM 1021 CA VAL A 772 5.867 -5.341 -2.754 1.00 51.52 C ATOM 1022 C VAL A 772 5.463 -6.787 -3.006 1.00 64.31 C ATOM 1023 O VAL A 772 4.447 -7.054 -3.641 1.00 4.20 O ATOM 1024 CB VAL A 772 5.294 -4.884 -1.394 1.00 31.41 C ATOM 1025 CG1 VAL A 772 5.759 -3.477 -1.054 1.00 63.23 C ATOM 1026 CG2 VAL A 772 3.775 -4.965 -1.391 1.00 13.32 C ATOM 0 H VAL A 772 4.423 -4.524 -4.036 1.00 73.02 H new ATOM 0 HA VAL A 772 6.954 -5.268 -2.717 1.00 51.52 H new ATOM 0 HB VAL A 772 5.671 -5.560 -0.626 1.00 31.41 H new ATOM 0 HG11 VAL A 772 5.342 -3.178 -0.092 1.00 63.23 H new ATOM 0 HG12 VAL A 772 6.847 -3.457 -1.000 1.00 63.23 H new ATOM 0 HG13 VAL A 772 5.421 -2.786 -1.826 1.00 63.23 H new ATOM 0 HG21 VAL A 772 3.395 -4.638 -0.423 1.00 13.32 H new ATOM 0 HG22 VAL A 772 3.375 -4.321 -2.174 1.00 13.32 H new ATOM 0 HG23 VAL A 772 3.465 -5.994 -1.574 1.00 13.32 H new ATOM 1036 N CYS A 773 6.262 -7.717 -2.510 1.00 61.33 N ATOM 1037 CA CYS A 773 5.957 -9.131 -2.653 1.00 61.11 C ATOM 1038 C CYS A 773 5.765 -9.775 -1.286 1.00 52.33 C ATOM 1039 O CYS A 773 6.693 -9.836 -0.479 1.00 72.01 O ATOM 1040 CB CYS A 773 7.060 -9.840 -3.442 1.00 60.12 C ATOM 1041 SG CYS A 773 8.736 -9.509 -2.843 1.00 23.44 S ATOM 0 H CYS A 773 7.126 -7.519 -2.005 1.00 61.33 H new ATOM 0 HA CYS A 773 5.025 -9.231 -3.209 1.00 61.11 H new ATOM 0 HB2 CYS A 773 6.881 -10.915 -3.409 1.00 60.12 H new ATOM 0 HB3 CYS A 773 6.994 -9.538 -4.487 1.00 60.12 H new ATOM 0 HG CYS A 773 8.734 -9.475 -1.543 1.00 23.44 H new ATOM 1047 N ALA A 774 4.553 -10.239 -1.024 1.00 23.25 N ATOM 1048 CA ALA A 774 4.224 -10.844 0.257 1.00 54.23 C ATOM 1049 C ALA A 774 3.693 -12.255 0.062 1.00 63.41 C ATOM 1050 O ALA A 774 3.181 -12.587 -1.001 1.00 41.13 O ATOM 1051 CB ALA A 774 3.206 -9.993 0.994 1.00 34.43 C ATOM 0 H ALA A 774 3.777 -10.208 -1.686 1.00 23.25 H new ATOM 0 HA ALA A 774 5.133 -10.900 0.856 1.00 54.23 H new ATOM 0 HB1 ALA A 774 2.968 -10.457 1.951 1.00 34.43 H new ATOM 0 HB2 ALA A 774 3.619 -8.999 1.165 1.00 34.43 H new ATOM 0 HB3 ALA A 774 2.299 -9.911 0.395 1.00 34.43 H new ATOM 1057 N HIS A 775 3.786 -13.075 1.100 1.00 25.41 N ATOM 1058 CA HIS A 775 3.378 -14.478 1.003 1.00 32.43 C ATOM 1059 C HIS A 775 1.873 -14.645 1.202 1.00 70.30 C ATOM 1060 O HIS A 775 1.377 -15.760 1.355 1.00 12.13 O ATOM 1061 CB HIS A 775 4.145 -15.348 2.012 1.00 4.13 C ATOM 1062 CG HIS A 775 4.030 -14.915 3.450 1.00 32.43 C ATOM 1063 ND1 HIS A 775 2.954 -14.585 4.207 1.00 53.00 N flip ATOM 1064 CD2 HIS A 775 5.118 -14.816 4.283 1.00 43.43 C flip ATOM 1065 CE1 HIS A 775 3.413 -14.304 5.470 1.00 4.45 C flip ATOM 1066 NE2 HIS A 775 4.723 -14.452 5.487 1.00 1.55 N flip ATOM 0 H HIS A 775 4.138 -12.799 2.017 1.00 25.41 H new ATOM 0 HA HIS A 775 3.624 -14.812 -0.005 1.00 32.43 H new ATOM 0 HB2 HIS A 775 3.787 -16.374 1.929 1.00 4.13 H new ATOM 0 HB3 HIS A 775 5.199 -15.355 1.734 1.00 4.13 H new ATOM 0 HD2 HIS A 775 6.141 -15.007 3.995 1.00 43.43 H new ATOM 0 HE1 HIS A 775 2.802 -14.010 6.311 1.00 4.45 H new ATOM 0 HE2 HIS A 775 5.329 -14.309 6.295 1.00 1.55 H new ATOM 1075 N SER A 776 1.151 -13.538 1.191 1.00 3.03 N ATOM 1076 CA SER A 776 -0.284 -13.570 1.397 1.00 23.10 C ATOM 1077 C SER A 776 -0.932 -12.371 0.711 1.00 2.11 C ATOM 1078 O SER A 776 -0.341 -11.290 0.650 1.00 62.21 O ATOM 1079 CB SER A 776 -0.597 -13.576 2.896 1.00 43.50 C ATOM 1080 OG SER A 776 -1.944 -13.927 3.145 1.00 0.15 O ATOM 0 H SER A 776 1.537 -12.606 1.041 1.00 3.03 H new ATOM 0 HA SER A 776 -0.692 -14.481 0.958 1.00 23.10 H new ATOM 0 HB2 SER A 776 0.063 -14.280 3.403 1.00 43.50 H new ATOM 0 HB3 SER A 776 -0.394 -12.590 3.315 1.00 43.50 H new ATOM 0 HG SER A 776 -2.110 -13.923 4.111 1.00 0.15 H new ATOM 1086 N LYS A 777 -2.136 -12.576 0.194 1.00 12.52 N ATOM 1087 CA LYS A 777 -2.863 -11.545 -0.538 1.00 52.30 C ATOM 1088 C LYS A 777 -3.108 -10.316 0.332 1.00 4.23 C ATOM 1089 O LYS A 777 -2.810 -9.191 -0.075 1.00 2.25 O ATOM 1090 CB LYS A 777 -4.188 -12.124 -1.055 1.00 35.15 C ATOM 1091 CG LYS A 777 -5.024 -11.164 -1.890 1.00 33.42 C ATOM 1092 CD LYS A 777 -5.997 -10.365 -1.040 1.00 53.23 C ATOM 1093 CE LYS A 777 -6.902 -9.498 -1.899 1.00 33.21 C ATOM 1094 NZ LYS A 777 -7.729 -10.312 -2.832 1.00 73.11 N ATOM 0 H LYS A 777 -2.637 -13.461 0.270 1.00 12.52 H new ATOM 0 HA LYS A 777 -2.258 -11.224 -1.386 1.00 52.30 H new ATOM 0 HB2 LYS A 777 -3.972 -13.009 -1.653 1.00 35.15 H new ATOM 0 HB3 LYS A 777 -4.782 -12.452 -0.202 1.00 35.15 H new ATOM 0 HG2 LYS A 777 -4.364 -10.480 -2.424 1.00 33.42 H new ATOM 0 HG3 LYS A 777 -5.578 -11.726 -2.642 1.00 33.42 H new ATOM 0 HD2 LYS A 777 -6.603 -11.045 -0.442 1.00 53.23 H new ATOM 0 HD3 LYS A 777 -5.442 -9.736 -0.344 1.00 53.23 H new ATOM 0 HE2 LYS A 777 -7.555 -8.907 -1.257 1.00 33.21 H new ATOM 0 HE3 LYS A 777 -6.296 -8.795 -2.470 1.00 33.21 H new ATOM 0 HZ1 LYS A 777 -8.539 -9.748 -3.160 1.00 73.11 H new ATOM 0 HZ2 LYS A 777 -7.152 -10.597 -3.649 1.00 73.11 H new ATOM 0 HZ3 LYS A 777 -8.074 -11.161 -2.340 1.00 73.11 H new ATOM 1108 N LYS A 778 -3.639 -10.530 1.533 1.00 21.34 N ATOM 1109 CA LYS A 778 -3.909 -9.426 2.449 1.00 50.53 C ATOM 1110 C LYS A 778 -2.611 -8.719 2.827 1.00 25.01 C ATOM 1111 O LYS A 778 -2.574 -7.498 2.959 1.00 61.42 O ATOM 1112 CB LYS A 778 -4.633 -9.917 3.711 1.00 2.30 C ATOM 1113 CG LYS A 778 -3.806 -10.852 4.581 1.00 71.20 C ATOM 1114 CD LYS A 778 -4.523 -11.191 5.876 1.00 32.01 C ATOM 1115 CE LYS A 778 -3.649 -12.041 6.783 1.00 33.33 C ATOM 1116 NZ LYS A 778 -4.334 -12.386 8.054 1.00 43.14 N ATOM 0 H LYS A 778 -3.889 -11.451 1.893 1.00 21.34 H new ATOM 0 HA LYS A 778 -4.561 -8.718 1.938 1.00 50.53 H new ATOM 0 HB2 LYS A 778 -4.929 -9.053 4.306 1.00 2.30 H new ATOM 0 HB3 LYS A 778 -5.548 -10.429 3.415 1.00 2.30 H new ATOM 0 HG2 LYS A 778 -3.594 -11.769 4.031 1.00 71.20 H new ATOM 0 HG3 LYS A 778 -2.847 -10.386 4.807 1.00 71.20 H new ATOM 0 HD2 LYS A 778 -4.801 -10.272 6.392 1.00 32.01 H new ATOM 0 HD3 LYS A 778 -5.447 -11.724 5.654 1.00 32.01 H new ATOM 0 HE2 LYS A 778 -3.369 -12.957 6.262 1.00 33.33 H new ATOM 0 HE3 LYS A 778 -2.726 -11.505 7.003 1.00 33.33 H new ATOM 0 HZ1 LYS A 778 -3.702 -12.966 8.642 1.00 43.14 H new ATOM 0 HZ2 LYS A 778 -4.578 -11.514 8.565 1.00 43.14 H new ATOM 0 HZ3 LYS A 778 -5.202 -12.920 7.847 1.00 43.14 H new ATOM 1130 N GLN A 779 -1.542 -9.496 2.971 1.00 54.44 N ATOM 1131 CA GLN A 779 -0.236 -8.949 3.308 1.00 24.30 C ATOM 1132 C GLN A 779 0.259 -8.045 2.190 1.00 11.13 C ATOM 1133 O GLN A 779 0.790 -6.972 2.449 1.00 24.31 O ATOM 1134 CB GLN A 779 0.774 -10.070 3.562 1.00 2.43 C ATOM 1135 CG GLN A 779 0.483 -10.890 4.808 1.00 12.41 C ATOM 1136 CD GLN A 779 0.604 -10.078 6.081 1.00 23.33 C ATOM 1137 OE1 GLN A 779 -0.363 -9.477 6.541 1.00 32.33 O ATOM 1138 NE2 GLN A 779 1.792 -10.059 6.662 1.00 41.13 N ATOM 0 H GLN A 779 -1.557 -10.510 2.859 1.00 54.44 H new ATOM 0 HA GLN A 779 -0.337 -8.363 4.221 1.00 24.30 H new ATOM 0 HB2 GLN A 779 0.790 -10.734 2.698 1.00 2.43 H new ATOM 0 HB3 GLN A 779 1.770 -9.636 3.649 1.00 2.43 H new ATOM 0 HG2 GLN A 779 -0.523 -11.304 4.739 1.00 12.41 H new ATOM 0 HG3 GLN A 779 1.172 -11.733 4.853 1.00 12.41 H new ATOM 0 HE21 GLN A 779 2.570 -10.572 6.248 1.00 41.13 H new ATOM 0 HE22 GLN A 779 1.930 -9.532 7.524 1.00 41.13 H new ATOM 1147 N GLY A 780 0.059 -8.482 0.951 1.00 72.13 N ATOM 1148 CA GLY A 780 0.481 -7.699 -0.196 1.00 43.25 C ATOM 1149 C GLY A 780 -0.108 -6.306 -0.188 1.00 75.25 C ATOM 1150 O GLY A 780 0.607 -5.323 -0.361 1.00 62.10 O ATOM 0 H GLY A 780 -0.390 -9.368 0.720 1.00 72.13 H new ATOM 0 HA2 GLY A 780 1.569 -7.631 -0.206 1.00 43.25 H new ATOM 0 HA3 GLY A 780 0.185 -8.211 -1.112 1.00 43.25 H new ATOM 1154 N LYS A 781 -1.414 -6.220 0.031 1.00 35.53 N ATOM 1155 CA LYS A 781 -2.096 -4.932 0.076 1.00 54.42 C ATOM 1156 C LYS A 781 -1.616 -4.094 1.260 1.00 4.53 C ATOM 1157 O LYS A 781 -1.333 -2.905 1.118 1.00 2.41 O ATOM 1158 CB LYS A 781 -3.609 -5.126 0.165 1.00 65.12 C ATOM 1159 CG LYS A 781 -4.211 -5.837 -1.036 1.00 34.40 C ATOM 1160 CD LYS A 781 -5.729 -5.876 -0.955 1.00 13.12 C ATOM 1161 CE LYS A 781 -6.317 -4.474 -0.916 1.00 73.50 C ATOM 1162 NZ LYS A 781 -7.801 -4.489 -0.887 1.00 72.03 N ATOM 0 H LYS A 781 -2.022 -7.025 0.180 1.00 35.53 H new ATOM 0 HA LYS A 781 -1.857 -4.401 -0.846 1.00 54.42 H new ATOM 0 HB2 LYS A 781 -3.840 -5.695 1.065 1.00 65.12 H new ATOM 0 HB3 LYS A 781 -4.085 -4.151 0.274 1.00 65.12 H new ATOM 0 HG2 LYS A 781 -3.907 -5.329 -1.951 1.00 34.40 H new ATOM 0 HG3 LYS A 781 -3.822 -6.854 -1.091 1.00 34.40 H new ATOM 0 HD2 LYS A 781 -6.127 -6.416 -1.814 1.00 13.12 H new ATOM 0 HD3 LYS A 781 -6.034 -6.425 -0.064 1.00 13.12 H new ATOM 0 HE2 LYS A 781 -5.943 -3.950 -0.037 1.00 73.50 H new ATOM 0 HE3 LYS A 781 -5.978 -3.915 -1.788 1.00 73.50 H new ATOM 0 HZ1 LYS A 781 -8.158 -3.512 -0.861 1.00 72.03 H new ATOM 0 HZ2 LYS A 781 -8.160 -4.966 -1.739 1.00 72.03 H new ATOM 0 HZ3 LYS A 781 -8.127 -4.999 -0.041 1.00 72.03 H new ATOM 1176 N GLN A 782 -1.519 -4.724 2.423 1.00 72.24 N ATOM 1177 CA GLN A 782 -1.138 -4.024 3.645 1.00 23.32 C ATOM 1178 C GLN A 782 0.299 -3.518 3.575 1.00 72.20 C ATOM 1179 O GLN A 782 0.562 -2.360 3.896 1.00 3.43 O ATOM 1180 CB GLN A 782 -1.322 -4.935 4.856 1.00 71.33 C ATOM 1181 CG GLN A 782 -2.773 -5.322 5.094 1.00 51.33 C ATOM 1182 CD GLN A 782 -2.931 -6.371 6.172 1.00 53.33 C ATOM 1183 OE1 GLN A 782 -1.932 -7.220 6.318 1.00 24.20 O flip ATOM 1184 NE2 GLN A 782 -3.946 -6.423 6.863 1.00 21.01 N flip ATOM 0 H GLN A 782 -1.699 -5.720 2.547 1.00 72.24 H new ATOM 0 HA GLN A 782 -1.790 -3.157 3.750 1.00 23.32 H new ATOM 0 HB2 GLN A 782 -0.729 -5.839 4.717 1.00 71.33 H new ATOM 0 HB3 GLN A 782 -0.935 -4.433 5.743 1.00 71.33 H new ATOM 0 HG2 GLN A 782 -3.340 -4.434 5.372 1.00 51.33 H new ATOM 0 HG3 GLN A 782 -3.202 -5.696 4.164 1.00 51.33 H new ATOM 0 HE21 GLN A 782 -4.696 -5.747 6.719 1.00 21.01 H new ATOM 0 HE22 GLN A 782 -4.038 -7.142 7.581 1.00 21.01 H new ATOM 1193 N GLU A 783 1.221 -4.378 3.149 1.00 24.11 N ATOM 1194 CA GLU A 783 2.622 -3.985 3.013 1.00 24.24 C ATOM 1195 C GLU A 783 2.767 -2.878 1.978 1.00 1.13 C ATOM 1196 O GLU A 783 3.552 -1.946 2.160 1.00 51.04 O ATOM 1197 CB GLU A 783 3.494 -5.181 2.618 1.00 61.22 C ATOM 1198 CG GLU A 783 3.537 -6.289 3.661 1.00 12.42 C ATOM 1199 CD GLU A 783 4.227 -5.881 4.952 1.00 23.11 C ATOM 1200 OE1 GLU A 783 4.533 -4.682 5.130 1.00 4.15 O ATOM 1201 OE2 GLU A 783 4.462 -6.767 5.803 1.00 32.41 O ATOM 0 H GLU A 783 1.026 -5.346 2.893 1.00 24.11 H new ATOM 0 HA GLU A 783 2.959 -3.615 3.981 1.00 24.24 H new ATOM 0 HB2 GLU A 783 3.123 -5.594 1.680 1.00 61.22 H new ATOM 0 HB3 GLU A 783 4.510 -4.831 2.433 1.00 61.22 H new ATOM 0 HG2 GLU A 783 2.518 -6.604 3.887 1.00 12.42 H new ATOM 0 HG3 GLU A 783 4.052 -7.153 3.241 1.00 12.42 H new ATOM 1208 N ALA A 784 2.001 -2.980 0.896 1.00 50.11 N ATOM 1209 CA ALA A 784 2.007 -1.959 -0.141 1.00 3.43 C ATOM 1210 C ALA A 784 1.527 -0.627 0.412 1.00 43.12 C ATOM 1211 O ALA A 784 2.150 0.404 0.192 1.00 1.40 O ATOM 1212 CB ALA A 784 1.147 -2.382 -1.325 1.00 61.32 C ATOM 0 H ALA A 784 1.369 -3.760 0.716 1.00 50.11 H new ATOM 0 HA ALA A 784 3.033 -1.840 -0.488 1.00 3.43 H new ATOM 0 HB1 ALA A 784 1.168 -1.602 -2.087 1.00 61.32 H new ATOM 0 HB2 ALA A 784 1.536 -3.310 -1.745 1.00 61.32 H new ATOM 0 HB3 ALA A 784 0.121 -2.537 -0.992 1.00 61.32 H new ATOM 1218 N ALA A 785 0.425 -0.661 1.148 1.00 0.14 N ATOM 1219 CA ALA A 785 -0.142 0.549 1.728 1.00 21.24 C ATOM 1220 C ALA A 785 0.799 1.148 2.768 1.00 43.33 C ATOM 1221 O ALA A 785 0.996 2.362 2.807 1.00 23.42 O ATOM 1222 CB ALA A 785 -1.496 0.249 2.340 1.00 62.24 C ATOM 0 H ALA A 785 -0.095 -1.513 1.358 1.00 0.14 H new ATOM 0 HA ALA A 785 -0.273 1.284 0.934 1.00 21.24 H new ATOM 0 HB1 ALA A 785 -1.911 1.160 2.771 1.00 62.24 H new ATOM 0 HB2 ALA A 785 -2.169 -0.127 1.569 1.00 62.24 H new ATOM 0 HB3 ALA A 785 -1.384 -0.503 3.121 1.00 62.24 H new ATOM 1228 N ASP A 786 1.381 0.288 3.598 1.00 2.40 N ATOM 1229 CA ASP A 786 2.366 0.712 4.591 1.00 64.21 C ATOM 1230 C ASP A 786 3.527 1.427 3.915 1.00 41.04 C ATOM 1231 O ASP A 786 3.900 2.541 4.290 1.00 24.43 O ATOM 1232 CB ASP A 786 2.886 -0.504 5.369 1.00 20.10 C ATOM 1233 CG ASP A 786 4.059 -0.176 6.274 1.00 73.34 C ATOM 1234 OD1 ASP A 786 5.216 -0.206 5.789 1.00 22.23 O ATOM 1235 OD2 ASP A 786 3.834 0.089 7.473 1.00 35.14 O ATOM 0 H ASP A 786 1.187 -0.713 3.603 1.00 2.40 H new ATOM 0 HA ASP A 786 1.885 1.401 5.285 1.00 64.21 H new ATOM 0 HB2 ASP A 786 2.076 -0.917 5.970 1.00 20.10 H new ATOM 0 HB3 ASP A 786 3.185 -1.278 4.663 1.00 20.10 H new ATOM 1240 N ALA A 787 4.078 0.779 2.901 1.00 33.25 N ATOM 1241 CA ALA A 787 5.187 1.334 2.151 1.00 31.41 C ATOM 1242 C ALA A 787 4.770 2.600 1.413 1.00 51.22 C ATOM 1243 O ALA A 787 5.532 3.557 1.341 1.00 72.55 O ATOM 1244 CB ALA A 787 5.731 0.302 1.179 1.00 31.21 C ATOM 0 H ALA A 787 3.770 -0.139 2.579 1.00 33.25 H new ATOM 0 HA ALA A 787 5.975 1.602 2.854 1.00 31.41 H new ATOM 0 HB1 ALA A 787 6.564 0.731 0.621 1.00 31.21 H new ATOM 0 HB2 ALA A 787 6.076 -0.572 1.732 1.00 31.21 H new ATOM 0 HB3 ALA A 787 4.944 0.005 0.485 1.00 31.21 H new ATOM 1250 N ALA A 788 3.552 2.598 0.877 1.00 71.00 N ATOM 1251 CA ALA A 788 3.023 3.748 0.152 1.00 3.31 C ATOM 1252 C ALA A 788 2.931 4.969 1.055 1.00 63.42 C ATOM 1253 O ALA A 788 3.359 6.061 0.678 1.00 64.41 O ATOM 1254 CB ALA A 788 1.661 3.429 -0.444 1.00 10.24 C ATOM 0 H ALA A 788 2.910 1.807 0.932 1.00 71.00 H new ATOM 0 HA ALA A 788 3.713 3.975 -0.660 1.00 3.31 H new ATOM 0 HB1 ALA A 788 1.285 4.301 -0.980 1.00 10.24 H new ATOM 0 HB2 ALA A 788 1.753 2.590 -1.134 1.00 10.24 H new ATOM 0 HB3 ALA A 788 0.967 3.167 0.354 1.00 10.24 H new ATOM 1260 N LEU A 789 2.383 4.783 2.253 1.00 20.23 N ATOM 1261 CA LEU A 789 2.289 5.868 3.215 1.00 42.44 C ATOM 1262 C LEU A 789 3.680 6.367 3.567 1.00 11.45 C ATOM 1263 O LEU A 789 3.922 7.567 3.609 1.00 2.13 O ATOM 1264 CB LEU A 789 1.556 5.425 4.483 1.00 11.01 C ATOM 1265 CG LEU A 789 0.110 4.973 4.278 1.00 50.32 C ATOM 1266 CD1 LEU A 789 -0.531 4.621 5.611 1.00 73.45 C ATOM 1267 CD2 LEU A 789 -0.688 6.055 3.569 1.00 42.21 C ATOM 0 H LEU A 789 2.000 3.894 2.576 1.00 20.23 H new ATOM 0 HA LEU A 789 1.716 6.676 2.760 1.00 42.44 H new ATOM 0 HB2 LEU A 789 2.114 4.607 4.938 1.00 11.01 H new ATOM 0 HB3 LEU A 789 1.564 6.251 5.195 1.00 11.01 H new ATOM 0 HG LEU A 789 0.111 4.081 3.652 1.00 50.32 H new ATOM 0 HD11 LEU A 789 -1.560 4.301 5.447 1.00 73.45 H new ATOM 0 HD12 LEU A 789 0.029 3.813 6.082 1.00 73.45 H new ATOM 0 HD13 LEU A 789 -0.522 5.496 6.261 1.00 73.45 H new ATOM 0 HD21 LEU A 789 -1.715 5.718 3.431 1.00 42.21 H new ATOM 0 HD22 LEU A 789 -0.682 6.964 4.170 1.00 42.21 H new ATOM 0 HD23 LEU A 789 -0.239 6.260 2.597 1.00 42.21 H new ATOM 1279 N ARG A 790 4.601 5.434 3.783 1.00 34.34 N ATOM 1280 CA ARG A 790 5.979 5.772 4.103 1.00 54.30 C ATOM 1281 C ARG A 790 6.660 6.518 2.953 1.00 0.15 C ATOM 1282 O ARG A 790 7.597 7.284 3.177 1.00 25.45 O ATOM 1283 CB ARG A 790 6.756 4.511 4.471 1.00 4.32 C ATOM 1284 CG ARG A 790 6.461 4.025 5.880 1.00 15.41 C ATOM 1285 CD ARG A 790 7.020 2.636 6.119 1.00 13.34 C ATOM 1286 NE ARG A 790 7.510 2.475 7.488 1.00 71.41 N ATOM 1287 CZ ARG A 790 7.646 1.301 8.102 1.00 11.11 C ATOM 1288 NH1 ARG A 790 7.166 0.196 7.551 1.00 1.23 N ATOM 1289 NH2 ARG A 790 8.203 1.242 9.304 1.00 72.33 N ATOM 0 H ARG A 790 4.414 4.432 3.741 1.00 34.34 H new ATOM 0 HA ARG A 790 5.971 6.444 4.961 1.00 54.30 H new ATOM 0 HB2 ARG A 790 6.513 3.720 3.761 1.00 4.32 H new ATOM 0 HB3 ARG A 790 7.824 4.708 4.376 1.00 4.32 H new ATOM 0 HG2 ARG A 790 6.889 4.720 6.602 1.00 15.41 H new ATOM 0 HG3 ARG A 790 5.384 4.018 6.045 1.00 15.41 H new ATOM 0 HD2 ARG A 790 6.247 1.894 5.920 1.00 13.34 H new ATOM 0 HD3 ARG A 790 7.832 2.446 5.418 1.00 13.34 H new ATOM 0 HE ARG A 790 7.764 3.316 8.006 1.00 71.41 H new ATOM 0 HH11 ARG A 790 6.689 0.241 6.651 1.00 1.23 H new ATOM 0 HH12 ARG A 790 7.274 -0.700 8.027 1.00 1.23 H new ATOM 0 HH21 ARG A 790 8.527 2.096 9.758 1.00 72.33 H new ATOM 0 HH22 ARG A 790 8.307 0.343 9.774 1.00 72.33 H new ATOM 1303 N VAL A 791 6.197 6.295 1.728 1.00 55.51 N ATOM 1304 CA VAL A 791 6.670 7.072 0.586 1.00 30.23 C ATOM 1305 C VAL A 791 6.180 8.509 0.703 1.00 5.01 C ATOM 1306 O VAL A 791 6.959 9.455 0.604 1.00 61.25 O ATOM 1307 CB VAL A 791 6.187 6.494 -0.764 1.00 70.14 C ATOM 1308 CG1 VAL A 791 6.624 7.381 -1.923 1.00 21.40 C ATOM 1309 CG2 VAL A 791 6.703 5.083 -0.963 1.00 13.32 C ATOM 0 H VAL A 791 5.499 5.587 1.500 1.00 55.51 H new ATOM 0 HA VAL A 791 7.759 7.029 0.602 1.00 30.23 H new ATOM 0 HB VAL A 791 5.098 6.465 -0.742 1.00 70.14 H new ATOM 0 HG11 VAL A 791 6.272 6.953 -2.862 1.00 21.40 H new ATOM 0 HG12 VAL A 791 6.201 8.378 -1.798 1.00 21.40 H new ATOM 0 HG13 VAL A 791 7.712 7.448 -1.940 1.00 21.40 H new ATOM 0 HG21 VAL A 791 6.350 4.698 -1.920 1.00 13.32 H new ATOM 0 HG22 VAL A 791 7.793 5.090 -0.955 1.00 13.32 H new ATOM 0 HG23 VAL A 791 6.338 4.445 -0.158 1.00 13.32 H new ATOM 1319 N LEU A 792 4.882 8.651 0.934 1.00 23.14 N ATOM 1320 CA LEU A 792 4.252 9.960 1.061 1.00 62.31 C ATOM 1321 C LEU A 792 4.846 10.722 2.240 1.00 24.42 C ATOM 1322 O LEU A 792 5.251 11.879 2.111 1.00 1.53 O ATOM 1323 CB LEU A 792 2.744 9.792 1.259 1.00 21.34 C ATOM 1324 CG LEU A 792 2.067 8.824 0.287 1.00 55.41 C ATOM 1325 CD1 LEU A 792 0.594 8.676 0.624 1.00 65.21 C ATOM 1326 CD2 LEU A 792 2.251 9.287 -1.151 1.00 25.32 C ATOM 0 H LEU A 792 4.238 7.867 1.038 1.00 23.14 H new ATOM 0 HA LEU A 792 4.435 10.528 0.149 1.00 62.31 H new ATOM 0 HB2 LEU A 792 2.563 9.447 2.277 1.00 21.34 H new ATOM 0 HB3 LEU A 792 2.270 10.769 1.165 1.00 21.34 H new ATOM 0 HG LEU A 792 2.540 7.847 0.389 1.00 55.41 H new ATOM 0 HD11 LEU A 792 0.128 7.984 -0.077 1.00 65.21 H new ATOM 0 HD12 LEU A 792 0.490 8.290 1.638 1.00 65.21 H new ATOM 0 HD13 LEU A 792 0.105 9.648 0.554 1.00 65.21 H new ATOM 0 HD21 LEU A 792 1.762 8.584 -1.825 1.00 25.32 H new ATOM 0 HD22 LEU A 792 1.809 10.276 -1.274 1.00 25.32 H new ATOM 0 HD23 LEU A 792 3.315 9.334 -1.385 1.00 25.32 H new ATOM 1338 N ILE A 793 4.897 10.048 3.382 1.00 72.13 N ATOM 1339 CA ILE A 793 5.464 10.607 4.601 1.00 54.23 C ATOM 1340 C ILE A 793 6.927 10.986 4.396 1.00 22.14 C ATOM 1341 O ILE A 793 7.357 12.057 4.809 1.00 24.51 O ATOM 1342 CB ILE A 793 5.344 9.605 5.773 1.00 2.34 C ATOM 1343 CG1 ILE A 793 3.869 9.305 6.060 1.00 74.44 C ATOM 1344 CG2 ILE A 793 6.033 10.141 7.023 1.00 42.00 C ATOM 1345 CD1 ILE A 793 3.649 8.188 7.056 1.00 20.31 C ATOM 0 H ILE A 793 4.545 9.096 3.488 1.00 72.13 H new ATOM 0 HA ILE A 793 4.899 11.506 4.846 1.00 54.23 H new ATOM 0 HB ILE A 793 5.843 8.679 5.486 1.00 2.34 H new ATOM 0 HG12 ILE A 793 3.391 10.210 6.434 1.00 74.44 H new ATOM 0 HG13 ILE A 793 3.373 9.046 5.124 1.00 74.44 H new ATOM 0 HG21 ILE A 793 5.934 9.417 7.832 1.00 42.00 H new ATOM 0 HG22 ILE A 793 7.089 10.308 6.813 1.00 42.00 H new ATOM 0 HG23 ILE A 793 5.569 11.082 7.319 1.00 42.00 H new ATOM 0 HD11 ILE A 793 2.580 8.038 7.204 1.00 20.31 H new ATOM 0 HD12 ILE A 793 4.095 7.269 6.676 1.00 20.31 H new ATOM 0 HD13 ILE A 793 4.113 8.451 8.006 1.00 20.31 H new ATOM 1357 N GLY A 794 7.676 10.110 3.736 1.00 34.31 N ATOM 1358 CA GLY A 794 9.084 10.367 3.487 1.00 12.41 C ATOM 1359 C GLY A 794 9.306 11.512 2.518 1.00 63.41 C ATOM 1360 O GLY A 794 10.293 12.242 2.621 1.00 45.24 O ATOM 0 H GLY A 794 7.333 9.223 3.367 1.00 34.31 H new ATOM 0 HA2 GLY A 794 9.581 10.593 4.431 1.00 12.41 H new ATOM 0 HA3 GLY A 794 9.549 9.465 3.090 1.00 12.41 H new ATOM 1364 N GLU A 795 8.389 11.668 1.574 1.00 62.34 N ATOM 1365 CA GLU A 795 8.460 12.750 0.600 1.00 62.30 C ATOM 1366 C GLU A 795 8.202 14.093 1.277 1.00 5.20 C ATOM 1367 O GLU A 795 8.909 15.072 1.040 1.00 24.12 O ATOM 1368 CB GLU A 795 7.426 12.519 -0.504 1.00 64.51 C ATOM 1369 CG GLU A 795 7.461 13.561 -1.607 1.00 72.44 C ATOM 1370 CD GLU A 795 8.724 13.488 -2.436 1.00 21.44 C ATOM 1371 OE1 GLU A 795 9.736 14.107 -2.050 1.00 15.52 O ATOM 1372 OE2 GLU A 795 8.709 12.810 -3.484 1.00 40.34 O ATOM 0 H GLU A 795 7.582 11.055 1.461 1.00 62.34 H new ATOM 0 HA GLU A 795 9.459 12.765 0.164 1.00 62.30 H new ATOM 0 HB2 GLU A 795 7.591 11.535 -0.942 1.00 64.51 H new ATOM 0 HB3 GLU A 795 6.431 12.508 -0.060 1.00 64.51 H new ATOM 0 HG2 GLU A 795 6.596 13.426 -2.257 1.00 72.44 H new ATOM 0 HG3 GLU A 795 7.377 14.554 -1.166 1.00 72.44 H new ATOM 1379 N ASN A 796 7.193 14.123 2.135 1.00 4.42 N ATOM 1380 CA ASN A 796 6.774 15.357 2.792 1.00 64.12 C ATOM 1381 C ASN A 796 7.470 15.502 4.147 1.00 34.20 C ATOM 1382 O ASN A 796 7.141 16.384 4.940 1.00 22.44 O ATOM 1383 CB ASN A 796 5.254 15.339 2.981 1.00 64.35 C ATOM 1384 CG ASN A 796 4.636 16.725 3.071 1.00 5.43 C ATOM 1385 OD1 ASN A 796 4.220 17.298 2.062 1.00 33.21 O ATOM 1386 ND2 ASN A 796 4.560 17.265 4.277 1.00 71.21 N ATOM 0 H ASN A 796 6.645 13.303 2.395 1.00 4.42 H new ATOM 0 HA ASN A 796 7.053 16.207 2.169 1.00 64.12 H new ATOM 0 HB2 ASN A 796 4.799 14.801 2.149 1.00 64.35 H new ATOM 0 HB3 ASN A 796 5.016 14.784 3.888 1.00 64.35 H new ATOM 0 HD21 ASN A 796 4.145 18.189 4.397 1.00 71.21 H new ATOM 0 HD22 ASN A 796 4.916 16.757 5.087 1.00 71.21 H new