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 778 LYS NZ :NH3+ 141:sc= -0.075 (180deg=-0.597) USER MOD Set 1.2: A 782 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 722 TYR OH : rot 180:sc= 0 USER MOD Single : A 724 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.064) USER MOD Single : A 725 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 726 ASN : amide:sc= -0.7 K(o=-0.7,f=-1.5) 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= -0.215 X(o=-0.22,f=-0.24) USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 749 GLN :FLIP amide:sc=-0.00141 F(o=-0.94,f=-0.0014) USER MOD Single : A 750 SER OG : rot 65:sc= 1.26 USER MOD Single : A 754 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-2.4!) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 180:sc=-0.00275 USER MOD Single : A 761 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.72) USER MOD Single : A 763 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.06) USER MOD Single : A 773 CYS SG : rot 180:sc= -0.267 USER MOD Single : A 775 HIS : no HE2:sc= 0.096 K(o=0.096,f=-4.7!) USER MOD Single : A 776 SER OG : rot 180:sc= 0 USER MOD Single : A 777 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.277) USER MOD Single : A 779 GLN : amide:sc= -0.199 K(o=-0.2,f=-2) USER MOD Single : A 781 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.550 14.952 7.725 1.00 41.35 N ATOM 148 CA ILE A 716 1.371 13.761 7.577 1.00 13.22 C ATOM 149 C ILE A 716 1.389 12.933 8.856 1.00 42.44 C ATOM 150 O ILE A 716 1.527 11.709 8.812 1.00 22.31 O ATOM 151 CB ILE A 716 2.802 14.143 7.144 1.00 15.41 C ATOM 152 CG1 ILE A 716 2.750 14.924 5.828 1.00 22.34 C ATOM 153 CG2 ILE A 716 3.685 12.912 7.005 1.00 31.24 C ATOM 154 CD1 ILE A 716 2.037 14.192 4.701 1.00 3.43 C ATOM 0 HA ILE A 716 0.928 13.143 6.796 1.00 13.22 H new ATOM 0 HB ILE A 716 3.241 14.774 7.917 1.00 15.41 H new ATOM 0 HG12 ILE A 716 2.250 15.876 6.002 1.00 22.34 H new ATOM 0 HG13 ILE A 716 3.768 15.152 5.512 1.00 22.34 H new ATOM 0 HG21 ILE A 716 4.686 13.215 6.699 1.00 31.24 H new ATOM 0 HG22 ILE A 716 3.740 12.393 7.962 1.00 31.24 H new ATOM 0 HG23 ILE A 716 3.263 12.244 6.254 1.00 31.24 H new ATOM 0 HD11 ILE A 716 2.043 14.811 3.804 1.00 3.43 H new ATOM 0 HD12 ILE A 716 2.549 13.252 4.496 1.00 3.43 H new ATOM 0 HD13 ILE A 716 1.007 13.988 4.994 1.00 3.43 H new ATOM 166 N GLY A 717 1.207 13.598 9.992 1.00 30.43 N ATOM 167 CA GLY A 717 1.124 12.900 11.260 1.00 35.52 C ATOM 168 C GLY A 717 -0.026 11.910 11.293 1.00 52.15 C ATOM 169 O GLY A 717 0.003 10.931 12.040 1.00 64.15 O ATOM 0 H GLY A 717 1.115 14.612 10.056 1.00 30.43 H new ATOM 0 HA2 GLY A 717 2.060 12.374 11.445 1.00 35.52 H new ATOM 0 HA3 GLY A 717 1.001 13.625 12.065 1.00 35.52 H new ATOM 173 N GLU A 718 -1.041 12.159 10.472 1.00 63.41 N ATOM 174 CA GLU A 718 -2.172 11.255 10.378 1.00 11.23 C ATOM 175 C GLU A 718 -1.810 10.025 9.555 1.00 33.34 C ATOM 176 O GLU A 718 -2.207 8.917 9.891 1.00 41.44 O ATOM 177 CB GLU A 718 -3.387 11.958 9.782 1.00 64.34 C ATOM 178 CG GLU A 718 -3.966 13.030 10.688 1.00 12.25 C ATOM 179 CD GLU A 718 -5.273 13.578 10.170 1.00 1.14 C ATOM 180 OE1 GLU A 718 -6.244 12.802 10.054 1.00 75.12 O ATOM 181 OE2 GLU A 718 -5.349 14.787 9.881 1.00 30.35 O ATOM 0 H GLU A 718 -1.100 12.977 9.866 1.00 63.41 H new ATOM 0 HA GLU A 718 -2.429 10.933 11.387 1.00 11.23 H new ATOM 0 HB2 GLU A 718 -3.106 12.409 8.830 1.00 64.34 H new ATOM 0 HB3 GLU A 718 -4.158 11.218 9.568 1.00 64.34 H new ATOM 0 HG2 GLU A 718 -4.119 12.616 11.685 1.00 12.25 H new ATOM 0 HG3 GLU A 718 -3.248 13.844 10.788 1.00 12.25 H new ATOM 188 N LEU A 719 -1.041 10.211 8.490 1.00 63.43 N ATOM 189 CA LEU A 719 -0.582 9.078 7.689 1.00 5.14 C ATOM 190 C LEU A 719 0.272 8.150 8.549 1.00 34.23 C ATOM 191 O LEU A 719 0.252 6.929 8.383 1.00 72.43 O ATOM 192 CB LEU A 719 0.209 9.541 6.454 1.00 21.22 C ATOM 193 CG LEU A 719 -0.620 10.175 5.323 1.00 4.44 C ATOM 194 CD1 LEU A 719 -1.850 9.337 5.009 1.00 43.51 C ATOM 195 CD2 LEU A 719 -1.026 11.600 5.665 1.00 72.12 C ATOM 0 H LEU A 719 -0.724 11.123 8.162 1.00 63.43 H new ATOM 0 HA LEU A 719 -1.459 8.537 7.333 1.00 5.14 H new ATOM 0 HB2 LEU A 719 0.959 10.263 6.777 1.00 21.22 H new ATOM 0 HB3 LEU A 719 0.746 8.684 6.048 1.00 21.22 H new ATOM 0 HG LEU A 719 0.012 10.205 4.436 1.00 4.44 H new ATOM 0 HD11 LEU A 719 -2.417 9.809 4.206 1.00 43.51 H new ATOM 0 HD12 LEU A 719 -1.541 8.340 4.697 1.00 43.51 H new ATOM 0 HD13 LEU A 719 -2.475 9.261 5.899 1.00 43.51 H new ATOM 0 HD21 LEU A 719 -1.610 12.019 4.845 1.00 72.12 H new ATOM 0 HD22 LEU A 719 -1.626 11.599 6.575 1.00 72.12 H new ATOM 0 HD23 LEU A 719 -0.133 12.205 5.820 1.00 72.12 H new ATOM 207 N VAL A 720 0.995 8.740 9.494 1.00 71.40 N ATOM 208 CA VAL A 720 1.785 7.975 10.449 1.00 32.24 C ATOM 209 C VAL A 720 0.876 7.196 11.405 1.00 72.51 C ATOM 210 O VAL A 720 1.158 6.048 11.751 1.00 21.34 O ATOM 211 CB VAL A 720 2.722 8.893 11.265 1.00 64.34 C ATOM 212 CG1 VAL A 720 3.556 8.086 12.249 1.00 32.32 C ATOM 213 CG2 VAL A 720 3.619 9.698 10.341 1.00 30.21 C ATOM 0 H VAL A 720 1.050 9.751 9.619 1.00 71.40 H new ATOM 0 HA VAL A 720 2.393 7.273 9.878 1.00 32.24 H new ATOM 0 HB VAL A 720 2.102 9.585 11.835 1.00 64.34 H new ATOM 0 HG11 VAL A 720 4.207 8.757 12.810 1.00 32.32 H new ATOM 0 HG12 VAL A 720 2.896 7.559 12.938 1.00 32.32 H new ATOM 0 HG13 VAL A 720 4.163 7.363 11.704 1.00 32.32 H new ATOM 0 HG21 VAL A 720 4.272 10.338 10.934 1.00 30.21 H new ATOM 0 HG22 VAL A 720 4.225 9.020 9.740 1.00 30.21 H new ATOM 0 HG23 VAL A 720 3.005 10.314 9.684 1.00 30.21 H new ATOM 223 N ARG A 721 -0.233 7.815 11.809 1.00 65.11 N ATOM 224 CA ARG A 721 -1.181 7.160 12.707 1.00 70.44 C ATOM 225 C ARG A 721 -1.803 5.948 12.011 1.00 54.11 C ATOM 226 O ARG A 721 -2.189 4.975 12.661 1.00 44.25 O ATOM 227 CB ARG A 721 -2.276 8.138 13.170 1.00 61.01 C ATOM 228 CG ARG A 721 -3.541 8.115 12.321 1.00 71.50 C ATOM 229 CD ARG A 721 -4.496 9.237 12.689 1.00 72.33 C ATOM 230 NE ARG A 721 -4.978 9.128 14.064 1.00 44.24 N ATOM 231 CZ ARG A 721 -6.071 9.737 14.516 1.00 54.34 C ATOM 232 NH1 ARG A 721 -6.842 10.429 13.684 1.00 52.11 N ATOM 233 NH2 ARG A 721 -6.404 9.634 15.798 1.00 52.21 N ATOM 0 H ARG A 721 -0.495 8.761 11.531 1.00 65.11 H new ATOM 0 HA ARG A 721 -0.641 6.824 13.592 1.00 70.44 H new ATOM 0 HB2 ARG A 721 -2.541 7.906 14.201 1.00 61.01 H new ATOM 0 HB3 ARG A 721 -1.869 9.149 13.166 1.00 61.01 H new ATOM 0 HG2 ARG A 721 -3.272 8.199 11.268 1.00 71.50 H new ATOM 0 HG3 ARG A 721 -4.044 7.156 12.446 1.00 71.50 H new ATOM 0 HD2 ARG A 721 -3.994 10.196 12.557 1.00 72.33 H new ATOM 0 HD3 ARG A 721 -5.346 9.226 12.007 1.00 72.33 H new ATOM 0 HE ARG A 721 -4.445 8.551 14.715 1.00 44.24 H new ATOM 0 HH11 ARG A 721 -6.596 10.494 12.696 1.00 52.11 H new ATOM 0 HH12 ARG A 721 -7.679 10.895 14.033 1.00 52.11 H new ATOM 0 HH21 ARG A 721 -5.822 9.089 16.434 1.00 52.21 H new ATOM 0 HH22 ARG A 721 -7.242 10.100 16.146 1.00 52.21 H new ATOM 247 N TYR A 722 -1.886 6.008 10.684 1.00 41.41 N ATOM 248 CA TYR A 722 -2.409 4.897 9.904 1.00 23.23 C ATOM 249 C TYR A 722 -1.410 3.751 9.860 1.00 22.14 C ATOM 250 O TYR A 722 -1.799 2.590 9.829 1.00 61.44 O ATOM 251 CB TYR A 722 -2.786 5.340 8.491 1.00 52.21 C ATOM 252 CG TYR A 722 -4.066 6.145 8.439 1.00 10.21 C ATOM 253 CD1 TYR A 722 -5.296 5.539 8.670 1.00 12.42 C ATOM 254 CD2 TYR A 722 -4.050 7.502 8.154 1.00 1.23 C ATOM 255 CE1 TYR A 722 -6.471 6.265 8.623 1.00 42.55 C ATOM 256 CE2 TYR A 722 -5.219 8.238 8.105 1.00 4.14 C ATOM 257 CZ TYR A 722 -6.427 7.617 8.340 1.00 23.01 C ATOM 258 OH TYR A 722 -7.593 8.350 8.294 1.00 54.15 O ATOM 0 H TYR A 722 -1.597 6.814 10.130 1.00 41.41 H new ATOM 0 HA TYR A 722 -3.315 4.544 10.396 1.00 23.23 H new ATOM 0 HB2 TYR A 722 -1.973 5.935 8.075 1.00 52.21 H new ATOM 0 HB3 TYR A 722 -2.893 4.459 7.858 1.00 52.21 H new ATOM 0 HD1 TYR A 722 -5.334 4.482 8.890 1.00 12.42 H new ATOM 0 HD2 TYR A 722 -3.106 7.993 7.967 1.00 1.23 H new ATOM 0 HE1 TYR A 722 -7.418 5.779 8.806 1.00 42.55 H new ATOM 0 HE2 TYR A 722 -5.186 9.295 7.884 1.00 4.14 H new ATOM 0 HH TYR A 722 -7.384 9.284 8.083 1.00 54.15 H new ATOM 268 N LEU A 723 -0.124 4.075 9.891 1.00 12.53 N ATOM 269 CA LEU A 723 0.915 3.052 9.972 1.00 72.33 C ATOM 270 C LEU A 723 0.774 2.266 11.271 1.00 40.15 C ATOM 271 O LEU A 723 1.129 1.091 11.351 1.00 61.12 O ATOM 272 CB LEU A 723 2.308 3.684 9.905 1.00 23.42 C ATOM 273 CG LEU A 723 2.633 4.424 8.609 1.00 63.40 C ATOM 274 CD1 LEU A 723 4.017 5.045 8.689 1.00 24.51 C ATOM 275 CD2 LEU A 723 2.543 3.481 7.422 1.00 4.34 C ATOM 0 H LEU A 723 0.225 5.033 9.862 1.00 12.53 H new ATOM 0 HA LEU A 723 0.796 2.378 9.124 1.00 72.33 H new ATOM 0 HB2 LEU A 723 2.412 4.381 10.737 1.00 23.42 H new ATOM 0 HB3 LEU A 723 3.051 2.900 10.051 1.00 23.42 H new ATOM 0 HG LEU A 723 1.902 5.221 8.472 1.00 63.40 H new ATOM 0 HD11 LEU A 723 4.235 5.569 7.758 1.00 24.51 H new ATOM 0 HD12 LEU A 723 4.052 5.750 9.519 1.00 24.51 H new ATOM 0 HD13 LEU A 723 4.759 4.262 8.847 1.00 24.51 H new ATOM 0 HD21 LEU A 723 2.778 4.025 6.507 1.00 4.34 H new ATOM 0 HD22 LEU A 723 3.253 2.665 7.551 1.00 4.34 H new ATOM 0 HD23 LEU A 723 1.533 3.076 7.355 1.00 4.34 H new ATOM 287 N ASN A 724 0.238 2.931 12.285 1.00 34.32 N ATOM 288 CA ASN A 724 0.034 2.316 13.589 1.00 12.21 C ATOM 289 C ASN A 724 -1.351 1.670 13.687 1.00 71.32 C ATOM 290 O ASN A 724 -1.608 0.858 14.572 1.00 45.21 O ATOM 291 CB ASN A 724 0.218 3.374 14.690 1.00 23.31 C ATOM 292 CG ASN A 724 0.024 2.822 16.092 1.00 43.45 C ATOM 293 OD1 ASN A 724 0.946 2.260 16.683 1.00 13.21 O ATOM 294 ND2 ASN A 724 -1.162 3.013 16.650 1.00 32.10 N ATOM 0 H ASN A 724 -0.065 3.903 12.228 1.00 34.32 H new ATOM 0 HA ASN A 724 0.774 1.526 13.722 1.00 12.21 H new ATOM 0 HB2 ASN A 724 1.218 3.801 14.610 1.00 23.31 H new ATOM 0 HB3 ASN A 724 -0.490 4.186 14.526 1.00 23.31 H new ATOM 0 HD21 ASN A 724 -1.336 2.690 17.602 1.00 32.10 H new ATOM 0 HD22 ASN A 724 -1.901 3.483 16.128 1.00 32.10 H new ATOM 301 N THR A 725 -2.238 2.012 12.763 1.00 61.54 N ATOM 302 CA THR A 725 -3.614 1.533 12.830 1.00 31.22 C ATOM 303 C THR A 725 -3.977 0.687 11.610 1.00 12.40 C ATOM 304 O THR A 725 -4.084 -0.535 11.699 1.00 75.15 O ATOM 305 CB THR A 725 -4.601 2.708 12.950 1.00 11.32 C ATOM 306 OG1 THR A 725 -4.140 3.618 13.956 1.00 43.41 O ATOM 307 CG2 THR A 725 -5.996 2.218 13.308 1.00 50.15 C ATOM 0 H THR A 725 -2.034 2.613 11.965 1.00 61.54 H new ATOM 0 HA THR A 725 -3.689 0.908 13.720 1.00 31.22 H new ATOM 0 HB THR A 725 -4.653 3.213 11.986 1.00 11.32 H new ATOM 0 HG1 THR A 725 -3.406 4.159 13.596 1.00 43.41 H new ATOM 0 HG21 THR A 725 -6.672 3.070 13.386 1.00 50.15 H new ATOM 0 HG22 THR A 725 -6.354 1.541 12.533 1.00 50.15 H new ATOM 0 HG23 THR A 725 -5.963 1.692 14.262 1.00 50.15 H new ATOM 315 N ASN A 726 -4.157 1.345 10.476 1.00 34.12 N ATOM 316 CA ASN A 726 -4.554 0.669 9.248 1.00 23.23 C ATOM 317 C ASN A 726 -3.979 1.397 8.040 1.00 21.35 C ATOM 318 O ASN A 726 -4.489 2.442 7.632 1.00 33.52 O ATOM 319 CB ASN A 726 -6.079 0.599 9.152 1.00 23.44 C ATOM 320 CG ASN A 726 -6.564 -0.037 7.863 1.00 21.00 C ATOM 321 OD1 ASN A 726 -5.898 -0.892 7.275 1.00 12.44 O ATOM 322 ND2 ASN A 726 -7.726 0.396 7.408 1.00 30.11 N ATOM 0 H ASN A 726 -4.034 2.353 10.379 1.00 34.12 H new ATOM 0 HA ASN A 726 -4.161 -0.347 9.263 1.00 23.23 H new ATOM 0 HB2 ASN A 726 -6.465 0.031 9.998 1.00 23.44 H new ATOM 0 HB3 ASN A 726 -6.489 1.606 9.230 1.00 23.44 H new ATOM 0 HD21 ASN A 726 -8.105 0.021 6.538 1.00 30.11 H new ATOM 0 HD22 ASN A 726 -8.245 1.105 7.926 1.00 30.11 H new ATOM 329 N PRO A 727 -2.892 0.861 7.469 1.00 63.13 N ATOM 330 CA PRO A 727 -2.213 1.470 6.324 1.00 63.35 C ATOM 331 C PRO A 727 -3.117 1.557 5.101 1.00 14.42 C ATOM 332 O PRO A 727 -3.116 2.562 4.389 1.00 51.12 O ATOM 333 CB PRO A 727 -1.031 0.531 6.052 1.00 44.01 C ATOM 334 CG PRO A 727 -1.386 -0.752 6.722 1.00 42.43 C ATOM 335 CD PRO A 727 -2.230 -0.380 7.905 1.00 3.41 C ATOM 0 HA PRO A 727 -1.910 2.496 6.533 1.00 63.35 H new ATOM 0 HB2 PRO A 727 -0.881 0.388 4.982 1.00 44.01 H new ATOM 0 HB3 PRO A 727 -0.103 0.940 6.452 1.00 44.01 H new ATOM 0 HG2 PRO A 727 -1.932 -1.408 6.044 1.00 42.43 H new ATOM 0 HG3 PRO A 727 -0.491 -1.290 7.035 1.00 42.43 H new ATOM 0 HD2 PRO A 727 -2.953 -1.159 8.145 1.00 3.41 H new ATOM 0 HD3 PRO A 727 -1.625 -0.221 8.798 1.00 3.41 H new ATOM 343 N VAL A 728 -3.898 0.505 4.875 1.00 44.15 N ATOM 344 CA VAL A 728 -4.782 0.440 3.716 1.00 63.11 C ATOM 345 C VAL A 728 -5.821 1.555 3.764 1.00 63.13 C ATOM 346 O VAL A 728 -6.050 2.243 2.766 1.00 12.04 O ATOM 347 CB VAL A 728 -5.491 -0.930 3.623 1.00 54.30 C ATOM 348 CG1 VAL A 728 -6.375 -1.003 2.386 1.00 42.33 C ATOM 349 CG2 VAL A 728 -4.468 -2.056 3.617 1.00 25.33 C ATOM 0 H VAL A 728 -3.937 -0.315 5.480 1.00 44.15 H new ATOM 0 HA VAL A 728 -4.163 0.568 2.828 1.00 63.11 H new ATOM 0 HB VAL A 728 -6.129 -1.044 4.500 1.00 54.30 H new ATOM 0 HG11 VAL A 728 -6.862 -1.977 2.344 1.00 42.33 H new ATOM 0 HG12 VAL A 728 -7.132 -0.220 2.433 1.00 42.33 H new ATOM 0 HG13 VAL A 728 -5.764 -0.864 1.494 1.00 42.33 H new ATOM 0 HG21 VAL A 728 -4.983 -3.015 3.551 1.00 25.33 H new ATOM 0 HG22 VAL A 728 -3.805 -1.940 2.760 1.00 25.33 H new ATOM 0 HG23 VAL A 728 -3.883 -2.021 4.536 1.00 25.33 H new ATOM 359 N GLY A 729 -6.423 1.753 4.932 1.00 63.10 N ATOM 360 CA GLY A 729 -7.415 2.797 5.084 1.00 12.44 C ATOM 361 C GLY A 729 -6.809 4.171 4.917 1.00 72.24 C ATOM 362 O GLY A 729 -7.439 5.075 4.370 1.00 31.34 O ATOM 0 H GLY A 729 -6.241 1.208 5.775 1.00 63.10 H new ATOM 0 HA2 GLY A 729 -8.207 2.657 4.348 1.00 12.44 H new ATOM 0 HA3 GLY A 729 -7.877 2.720 6.068 1.00 12.44 H new ATOM 366 N GLY A 730 -5.571 4.321 5.374 1.00 74.23 N ATOM 367 CA GLY A 730 -4.883 5.591 5.266 1.00 61.44 C ATOM 368 C GLY A 730 -4.511 5.931 3.838 1.00 43.12 C ATOM 369 O GLY A 730 -4.651 7.075 3.414 1.00 1.42 O ATOM 0 H GLY A 730 -5.030 3.580 5.820 1.00 74.23 H new ATOM 0 HA2 GLY A 730 -5.518 6.380 5.670 1.00 61.44 H new ATOM 0 HA3 GLY A 730 -3.980 5.564 5.876 1.00 61.44 H new ATOM 373 N LEU A 731 -4.041 4.934 3.100 1.00 14.44 N ATOM 374 CA LEU A 731 -3.639 5.130 1.712 1.00 1.41 C ATOM 375 C LEU A 731 -4.856 5.494 0.862 1.00 72.01 C ATOM 376 O LEU A 731 -4.799 6.409 0.036 1.00 41.32 O ATOM 377 CB LEU A 731 -2.946 3.860 1.192 1.00 12.53 C ATOM 378 CG LEU A 731 -2.170 3.992 -0.128 1.00 21.15 C ATOM 379 CD1 LEU A 731 -3.102 3.909 -1.324 1.00 64.34 C ATOM 380 CD2 LEU A 731 -1.381 5.294 -0.160 1.00 45.41 C ATOM 0 H LEU A 731 -3.928 3.979 3.440 1.00 14.44 H new ATOM 0 HA LEU A 731 -2.930 5.955 1.646 1.00 1.41 H new ATOM 0 HB2 LEU A 731 -2.256 3.510 1.960 1.00 12.53 H new ATOM 0 HB3 LEU A 731 -3.703 3.086 1.067 1.00 12.53 H new ATOM 0 HG LEU A 731 -1.470 3.159 -0.187 1.00 21.15 H new ATOM 0 HD11 LEU A 731 -2.524 4.006 -2.243 1.00 64.34 H new ATOM 0 HD12 LEU A 731 -3.617 2.948 -1.318 1.00 64.34 H new ATOM 0 HD13 LEU A 731 -3.835 4.714 -1.270 1.00 64.34 H new ATOM 0 HD21 LEU A 731 -0.839 5.368 -1.103 1.00 45.41 H new ATOM 0 HD22 LEU A 731 -2.066 6.137 -0.068 1.00 45.41 H new ATOM 0 HD23 LEU A 731 -0.673 5.311 0.668 1.00 45.41 H new ATOM 392 N LEU A 732 -5.961 4.793 1.088 1.00 62.21 N ATOM 393 CA LEU A 732 -7.199 5.073 0.371 1.00 24.34 C ATOM 394 C LEU A 732 -7.742 6.448 0.747 1.00 2.00 C ATOM 395 O LEU A 732 -8.251 7.180 -0.106 1.00 5.33 O ATOM 396 CB LEU A 732 -8.240 3.990 0.664 1.00 62.31 C ATOM 397 CG LEU A 732 -7.863 2.587 0.184 1.00 11.21 C ATOM 398 CD1 LEU A 732 -8.913 1.577 0.612 1.00 63.33 C ATOM 399 CD2 LEU A 732 -7.694 2.564 -1.325 1.00 54.21 C ATOM 0 H LEU A 732 -6.025 4.029 1.760 1.00 62.21 H new ATOM 0 HA LEU A 732 -6.984 5.071 -0.698 1.00 24.34 H new ATOM 0 HB2 LEU A 732 -8.414 3.956 1.739 1.00 62.31 H new ATOM 0 HB3 LEU A 732 -9.182 4.277 0.197 1.00 62.31 H new ATOM 0 HG LEU A 732 -6.912 2.315 0.642 1.00 11.21 H new ATOM 0 HD11 LEU A 732 -8.628 0.585 0.262 1.00 63.33 H new ATOM 0 HD12 LEU A 732 -8.989 1.570 1.699 1.00 63.33 H new ATOM 0 HD13 LEU A 732 -9.877 1.850 0.183 1.00 63.33 H new ATOM 0 HD21 LEU A 732 -7.426 1.557 -1.646 1.00 54.21 H new ATOM 0 HD22 LEU A 732 -8.629 2.859 -1.800 1.00 54.21 H new ATOM 0 HD23 LEU A 732 -6.905 3.259 -1.613 1.00 54.21 H new ATOM 411 N GLU A 733 -7.612 6.805 2.021 1.00 4.12 N ATOM 412 CA GLU A 733 -8.035 8.092 2.508 1.00 73.01 C ATOM 413 C GLU A 733 -7.180 9.197 1.898 1.00 22.33 C ATOM 414 O GLU A 733 -7.698 10.221 1.456 1.00 45.44 O ATOM 415 CB GLU A 733 -7.923 8.078 4.027 1.00 3.03 C ATOM 416 CG GLU A 733 -7.798 9.439 4.651 1.00 40.12 C ATOM 417 CD GLU A 733 -9.132 10.126 4.860 1.00 23.03 C ATOM 418 OE1 GLU A 733 -9.738 10.591 3.874 1.00 61.43 O ATOM 419 OE2 GLU A 733 -9.582 10.203 6.023 1.00 3.13 O ATOM 0 H GLU A 733 -7.208 6.201 2.737 1.00 4.12 H new ATOM 0 HA GLU A 733 -9.067 8.290 2.220 1.00 73.01 H new ATOM 0 HB2 GLU A 733 -8.801 7.581 4.440 1.00 3.03 H new ATOM 0 HB3 GLU A 733 -7.056 7.481 4.310 1.00 3.03 H new ATOM 0 HG2 GLU A 733 -7.291 9.346 5.611 1.00 40.12 H new ATOM 0 HG3 GLU A 733 -7.170 10.065 4.018 1.00 40.12 H new ATOM 426 N TYR A 734 -5.871 8.970 1.858 1.00 21.11 N ATOM 427 CA TYR A 734 -4.944 9.907 1.249 1.00 15.51 C ATOM 428 C TYR A 734 -5.371 10.236 -0.177 1.00 1.32 C ATOM 429 O TYR A 734 -5.444 11.401 -0.561 1.00 13.05 O ATOM 430 CB TYR A 734 -3.525 9.326 1.257 1.00 71.44 C ATOM 431 CG TYR A 734 -2.606 9.961 0.238 1.00 44.24 C ATOM 432 CD1 TYR A 734 -1.927 11.137 0.516 1.00 31.34 C ATOM 433 CD2 TYR A 734 -2.438 9.385 -1.015 1.00 24.41 C ATOM 434 CE1 TYR A 734 -1.102 11.722 -0.427 1.00 12.22 C ATOM 435 CE2 TYR A 734 -1.621 9.964 -1.963 1.00 41.20 C ATOM 436 CZ TYR A 734 -0.955 11.132 -1.664 1.00 51.13 C ATOM 437 OH TYR A 734 -0.141 11.715 -2.606 1.00 35.13 O ATOM 0 H TYR A 734 -5.429 8.136 2.245 1.00 21.11 H new ATOM 0 HA TYR A 734 -4.952 10.828 1.831 1.00 15.51 H new ATOM 0 HB2 TYR A 734 -3.095 9.453 2.251 1.00 71.44 H new ATOM 0 HB3 TYR A 734 -3.579 8.254 1.067 1.00 71.44 H new ATOM 0 HD1 TYR A 734 -2.044 11.603 1.483 1.00 31.34 H new ATOM 0 HD2 TYR A 734 -2.957 8.467 -1.251 1.00 24.41 H new ATOM 0 HE1 TYR A 734 -0.576 12.636 -0.196 1.00 12.22 H new ATOM 0 HE2 TYR A 734 -1.504 9.505 -2.933 1.00 41.20 H new ATOM 0 HH TYR A 734 -0.146 11.173 -3.423 1.00 35.13 H new ATOM 447 N ALA A 735 -5.664 9.204 -0.953 1.00 70.35 N ATOM 448 CA ALA A 735 -6.028 9.385 -2.346 1.00 41.02 C ATOM 449 C ALA A 735 -7.345 10.131 -2.470 1.00 32.24 C ATOM 450 O ALA A 735 -7.436 11.130 -3.182 1.00 64.41 O ATOM 451 CB ALA A 735 -6.106 8.045 -3.052 1.00 44.44 C ATOM 0 H ALA A 735 -5.656 8.233 -0.640 1.00 70.35 H new ATOM 0 HA ALA A 735 -5.254 9.985 -2.825 1.00 41.02 H new ATOM 0 HB1 ALA A 735 -6.380 8.199 -4.096 1.00 44.44 H new ATOM 0 HB2 ALA A 735 -5.136 7.550 -3.001 1.00 44.44 H new ATOM 0 HB3 ALA A 735 -6.858 7.422 -2.568 1.00 44.44 H new ATOM 457 N ARG A 736 -8.351 9.665 -1.745 1.00 21.53 N ATOM 458 CA ARG A 736 -9.694 10.222 -1.837 1.00 44.22 C ATOM 459 C ARG A 736 -9.716 11.673 -1.362 1.00 13.43 C ATOM 460 O ARG A 736 -10.494 12.494 -1.856 1.00 24.22 O ATOM 461 CB ARG A 736 -10.663 9.361 -1.022 1.00 23.43 C ATOM 462 CG ARG A 736 -10.625 9.596 0.481 1.00 0.12 C ATOM 463 CD ARG A 736 -11.425 8.537 1.219 1.00 35.52 C ATOM 464 NE ARG A 736 -11.496 8.792 2.656 1.00 11.02 N ATOM 465 CZ ARG A 736 -12.084 7.971 3.528 1.00 20.32 C ATOM 466 NH1 ARG A 736 -12.543 6.786 3.133 1.00 54.32 N ATOM 467 NH2 ARG A 736 -12.185 8.322 4.803 1.00 62.35 N ATOM 0 H ARG A 736 -8.262 8.896 -1.081 1.00 21.53 H new ATOM 0 HA ARG A 736 -10.010 10.216 -2.880 1.00 44.22 H new ATOM 0 HB2 ARG A 736 -11.677 9.546 -1.378 1.00 23.43 H new ATOM 0 HB3 ARG A 736 -10.443 8.311 -1.216 1.00 23.43 H new ATOM 0 HG2 ARG A 736 -9.592 9.584 0.828 1.00 0.12 H new ATOM 0 HG3 ARG A 736 -11.026 10.584 0.708 1.00 0.12 H new ATOM 0 HD2 ARG A 736 -12.434 8.497 0.810 1.00 35.52 H new ATOM 0 HD3 ARG A 736 -10.973 7.560 1.048 1.00 35.52 H new ATOM 0 HE ARG A 736 -11.071 9.648 3.013 1.00 11.02 H new ATOM 0 HH11 ARG A 736 -12.446 6.501 2.159 1.00 54.32 H new ATOM 0 HH12 ARG A 736 -12.991 6.163 3.805 1.00 54.32 H new ATOM 0 HH21 ARG A 736 -11.813 9.219 5.116 1.00 62.35 H new ATOM 0 HH22 ARG A 736 -12.634 7.695 5.470 1.00 62.35 H new ATOM 481 N SER A 737 -8.846 11.977 -0.415 1.00 53.45 N ATOM 482 CA SER A 737 -8.723 13.322 0.124 1.00 63.21 C ATOM 483 C SER A 737 -7.938 14.233 -0.820 1.00 61.10 C ATOM 484 O SER A 737 -8.166 15.440 -0.860 1.00 15.14 O ATOM 485 CB SER A 737 -8.041 13.269 1.497 1.00 53.32 C ATOM 486 OG SER A 737 -7.786 14.567 2.008 1.00 53.11 O ATOM 0 H SER A 737 -8.206 11.301 0.002 1.00 53.45 H new ATOM 0 HA SER A 737 -9.724 13.739 0.231 1.00 63.21 H new ATOM 0 HB2 SER A 737 -8.673 12.721 2.196 1.00 53.32 H new ATOM 0 HB3 SER A 737 -7.103 12.719 1.416 1.00 53.32 H new ATOM 0 HG SER A 737 -7.352 14.494 2.884 1.00 53.11 H new ATOM 492 N HIS A 738 -7.026 13.657 -1.590 1.00 71.44 N ATOM 493 CA HIS A 738 -6.130 14.455 -2.426 1.00 74.43 C ATOM 494 C HIS A 738 -6.580 14.476 -3.882 1.00 4.14 C ATOM 495 O HIS A 738 -5.969 15.142 -4.715 1.00 71.04 O ATOM 496 CB HIS A 738 -4.695 13.934 -2.320 1.00 25.23 C ATOM 497 CG HIS A 738 -4.051 14.220 -0.994 1.00 51.40 C ATOM 498 ND1 HIS A 738 -2.728 14.576 -0.852 1.00 63.02 N ATOM 499 CD2 HIS A 738 -4.563 14.183 0.259 1.00 32.43 C ATOM 500 CE1 HIS A 738 -2.455 14.743 0.432 1.00 31.25 C ATOM 501 NE2 HIS A 738 -3.556 14.512 1.125 1.00 23.03 N ATOM 0 H HIS A 738 -6.885 12.649 -1.656 1.00 71.44 H new ATOM 0 HA HIS A 738 -6.165 15.480 -2.057 1.00 74.43 H new ATOM 0 HB2 HIS A 738 -4.694 12.857 -2.491 1.00 25.23 H new ATOM 0 HB3 HIS A 738 -4.094 14.383 -3.111 1.00 25.23 H new ATOM 0 HD2 HIS A 738 -5.580 13.938 0.526 1.00 32.43 H new ATOM 0 HE1 HIS A 738 -1.496 15.021 0.843 1.00 31.25 H new ATOM 0 HE2 HIS A 738 -3.641 14.570 2.140 1.00 23.03 H new ATOM 510 N GLY A 739 -7.639 13.745 -4.186 1.00 52.52 N ATOM 511 CA GLY A 739 -8.175 13.754 -5.534 1.00 72.34 C ATOM 512 C GLY A 739 -7.573 12.674 -6.409 1.00 34.51 C ATOM 513 O GLY A 739 -7.724 12.701 -7.632 1.00 15.25 O ATOM 0 H GLY A 739 -8.138 13.146 -3.528 1.00 52.52 H new ATOM 0 HA2 GLY A 739 -9.256 13.621 -5.492 1.00 72.34 H new ATOM 0 HA3 GLY A 739 -7.991 14.728 -5.987 1.00 72.34 H new ATOM 517 N PHE A 740 -6.876 11.736 -5.793 1.00 31.54 N ATOM 518 CA PHE A 740 -6.332 10.591 -6.509 1.00 53.21 C ATOM 519 C PHE A 740 -7.275 9.401 -6.390 1.00 63.20 C ATOM 520 O PHE A 740 -8.221 9.423 -5.603 1.00 30.04 O ATOM 521 CB PHE A 740 -4.958 10.200 -5.960 1.00 73.44 C ATOM 522 CG PHE A 740 -3.888 11.230 -6.177 1.00 64.43 C ATOM 523 CD1 PHE A 740 -3.160 11.250 -7.355 1.00 30.53 C ATOM 524 CD2 PHE A 740 -3.602 12.168 -5.199 1.00 54.14 C ATOM 525 CE1 PHE A 740 -2.167 12.190 -7.555 1.00 20.40 C ATOM 526 CE2 PHE A 740 -2.609 13.109 -5.393 1.00 43.42 C ATOM 527 CZ PHE A 740 -1.891 13.120 -6.572 1.00 51.33 C ATOM 0 H PHE A 740 -6.671 11.743 -4.794 1.00 31.54 H new ATOM 0 HA PHE A 740 -6.225 10.873 -7.556 1.00 53.21 H new ATOM 0 HB2 PHE A 740 -5.049 10.008 -4.891 1.00 73.44 H new ATOM 0 HB3 PHE A 740 -4.646 9.266 -6.427 1.00 73.44 H new ATOM 0 HD1 PHE A 740 -3.371 10.523 -8.126 1.00 30.53 H new ATOM 0 HD2 PHE A 740 -4.161 12.164 -4.275 1.00 54.14 H new ATOM 0 HE1 PHE A 740 -1.608 12.197 -8.479 1.00 20.40 H new ATOM 0 HE2 PHE A 740 -2.395 13.835 -4.623 1.00 43.42 H new ATOM 0 HZ PHE A 740 -1.115 13.855 -6.725 1.00 51.33 H new ATOM 537 N ALA A 741 -7.011 8.368 -7.170 1.00 13.43 N ATOM 538 CA ALA A 741 -7.764 7.129 -7.084 1.00 0.00 C ATOM 539 C ALA A 741 -6.813 5.984 -6.778 1.00 72.14 C ATOM 540 O ALA A 741 -6.043 5.565 -7.641 1.00 1.41 O ATOM 541 CB ALA A 741 -8.527 6.869 -8.374 1.00 40.14 C ATOM 0 H ALA A 741 -6.275 8.363 -7.876 1.00 13.43 H new ATOM 0 HA ALA A 741 -8.496 7.210 -6.280 1.00 0.00 H new ATOM 0 HB1 ALA A 741 -9.083 5.936 -8.286 1.00 40.14 H new ATOM 0 HB2 ALA A 741 -9.221 7.689 -8.558 1.00 40.14 H new ATOM 0 HB3 ALA A 741 -7.824 6.795 -9.204 1.00 40.14 H new ATOM 547 N ALA A 742 -6.848 5.506 -5.544 1.00 43.04 N ATOM 548 CA ALA A 742 -5.907 4.493 -5.086 1.00 73.54 C ATOM 549 C ALA A 742 -6.442 3.091 -5.321 1.00 3.44 C ATOM 550 O ALA A 742 -7.515 2.735 -4.836 1.00 35.34 O ATOM 551 CB ALA A 742 -5.599 4.690 -3.611 1.00 42.24 C ATOM 0 H ALA A 742 -7.521 5.804 -4.838 1.00 43.04 H new ATOM 0 HA ALA A 742 -4.990 4.606 -5.664 1.00 73.54 H new ATOM 0 HB1 ALA A 742 -4.895 3.926 -3.281 1.00 42.24 H new ATOM 0 HB2 ALA A 742 -5.162 5.677 -3.459 1.00 42.24 H new ATOM 0 HB3 ALA A 742 -6.520 4.608 -3.033 1.00 42.24 H new ATOM 557 N GLU A 743 -5.683 2.303 -6.061 1.00 35.02 N ATOM 558 CA GLU A 743 -6.054 0.927 -6.355 1.00 75.43 C ATOM 559 C GLU A 743 -4.918 -0.022 -6.007 1.00 4.44 C ATOM 560 O GLU A 743 -3.782 0.405 -5.797 1.00 34.54 O ATOM 561 CB GLU A 743 -6.424 0.775 -7.829 1.00 53.02 C ATOM 562 CG GLU A 743 -7.734 1.442 -8.205 1.00 54.22 C ATOM 563 CD GLU A 743 -8.926 0.830 -7.498 1.00 33.21 C ATOM 564 OE1 GLU A 743 -9.222 -0.356 -7.747 1.00 21.52 O ATOM 565 OE2 GLU A 743 -9.584 1.530 -6.700 1.00 32.40 O ATOM 0 H GLU A 743 -4.797 2.595 -6.474 1.00 35.02 H new ATOM 0 HA GLU A 743 -6.921 0.674 -5.745 1.00 75.43 H new ATOM 0 HB2 GLU A 743 -5.625 1.196 -8.439 1.00 53.02 H new ATOM 0 HB3 GLU A 743 -6.485 -0.286 -8.071 1.00 53.02 H new ATOM 0 HG2 GLU A 743 -7.679 2.503 -7.963 1.00 54.22 H new ATOM 0 HG3 GLU A 743 -7.879 1.368 -9.283 1.00 54.22 H new ATOM 572 N PHE A 744 -5.230 -1.305 -5.960 1.00 54.43 N ATOM 573 CA PHE A 744 -4.251 -2.330 -5.619 1.00 34.31 C ATOM 574 C PHE A 744 -4.357 -3.496 -6.593 1.00 21.53 C ATOM 575 O PHE A 744 -5.328 -4.252 -6.559 1.00 1.40 O ATOM 576 CB PHE A 744 -4.471 -2.845 -4.192 1.00 54.14 C ATOM 577 CG PHE A 744 -4.192 -1.836 -3.113 1.00 21.21 C ATOM 578 CD1 PHE A 744 -5.182 -0.969 -2.679 1.00 42.15 C ATOM 579 CD2 PHE A 744 -2.940 -1.764 -2.524 1.00 54.21 C ATOM 580 CE1 PHE A 744 -4.930 -0.047 -1.682 1.00 23.50 C ATOM 581 CE2 PHE A 744 -2.682 -0.846 -1.525 1.00 73.44 C ATOM 582 CZ PHE A 744 -3.677 0.013 -1.104 1.00 14.22 C ATOM 0 H PHE A 744 -6.163 -1.668 -6.155 1.00 54.43 H new ATOM 0 HA PHE A 744 -3.259 -1.883 -5.683 1.00 34.31 H new ATOM 0 HB2 PHE A 744 -5.503 -3.183 -4.097 1.00 54.14 H new ATOM 0 HB3 PHE A 744 -3.834 -3.715 -4.031 1.00 54.14 H new ATOM 0 HD1 PHE A 744 -6.164 -1.015 -3.126 1.00 42.15 H new ATOM 0 HD2 PHE A 744 -2.157 -2.433 -2.850 1.00 54.21 H new ATOM 0 HE1 PHE A 744 -5.710 0.625 -1.355 1.00 23.50 H new ATOM 0 HE2 PHE A 744 -1.702 -0.800 -1.073 1.00 73.44 H new ATOM 0 HZ PHE A 744 -3.476 0.732 -0.323 1.00 14.22 H new ATOM 592 N LYS A 745 -3.370 -3.643 -7.463 1.00 45.34 N ATOM 593 CA LYS A 745 -3.391 -4.724 -8.436 1.00 34.31 C ATOM 594 C LYS A 745 -2.318 -5.758 -8.131 1.00 21.35 C ATOM 595 O LYS A 745 -1.255 -5.432 -7.599 1.00 73.34 O ATOM 596 CB LYS A 745 -3.200 -4.199 -9.861 1.00 73.52 C ATOM 597 CG LYS A 745 -1.869 -3.495 -10.091 1.00 51.21 C ATOM 598 CD LYS A 745 -1.447 -3.572 -11.551 1.00 74.21 C ATOM 599 CE LYS A 745 -2.505 -2.998 -12.478 1.00 54.01 C ATOM 600 NZ LYS A 745 -2.155 -3.195 -13.909 1.00 41.32 N ATOM 0 H LYS A 745 -2.553 -3.035 -7.516 1.00 45.34 H new ATOM 0 HA LYS A 745 -4.371 -5.196 -8.365 1.00 34.31 H new ATOM 0 HB2 LYS A 745 -3.283 -5.033 -10.558 1.00 73.52 H new ATOM 0 HB3 LYS A 745 -4.010 -3.507 -10.094 1.00 73.52 H new ATOM 0 HG2 LYS A 745 -1.951 -2.451 -9.789 1.00 51.21 H new ATOM 0 HG3 LYS A 745 -1.102 -3.950 -9.464 1.00 51.21 H new ATOM 0 HD2 LYS A 745 -0.512 -3.029 -11.688 1.00 74.21 H new ATOM 0 HD3 LYS A 745 -1.255 -4.611 -11.819 1.00 74.21 H new ATOM 0 HE2 LYS A 745 -3.465 -3.471 -12.271 1.00 54.01 H new ATOM 0 HE3 LYS A 745 -2.625 -1.933 -12.277 1.00 54.01 H new ATOM 0 HZ1 LYS A 745 -2.902 -2.789 -14.508 1.00 41.32 H new ATOM 0 HZ2 LYS A 745 -1.252 -2.722 -14.114 1.00 41.32 H new ATOM 0 HZ3 LYS A 745 -2.066 -4.212 -14.108 1.00 41.32 H new ATOM 614 N LEU A 746 -2.609 -7.004 -8.468 1.00 3.20 N ATOM 615 CA LEU A 746 -1.642 -8.077 -8.351 1.00 53.42 C ATOM 616 C LEU A 746 -0.829 -8.134 -9.639 1.00 62.51 C ATOM 617 O LEU A 746 -1.334 -8.539 -10.690 1.00 22.24 O ATOM 618 CB LEU A 746 -2.368 -9.407 -8.082 1.00 64.23 C ATOM 619 CG LEU A 746 -1.512 -10.561 -7.545 1.00 41.51 C ATOM 620 CD1 LEU A 746 -2.405 -11.651 -6.979 1.00 2.41 C ATOM 621 CD2 LEU A 746 -0.619 -11.139 -8.632 1.00 0.05 C ATOM 0 H LEU A 746 -3.517 -7.296 -8.828 1.00 3.20 H new ATOM 0 HA LEU A 746 -0.967 -7.897 -7.514 1.00 53.42 H new ATOM 0 HB2 LEU A 746 -3.171 -9.219 -7.370 1.00 64.23 H new ATOM 0 HB3 LEU A 746 -2.836 -9.734 -9.011 1.00 64.23 H new ATOM 0 HG LEU A 746 -0.874 -10.166 -6.755 1.00 41.51 H new ATOM 0 HD11 LEU A 746 -1.789 -12.466 -6.600 1.00 2.41 H new ATOM 0 HD12 LEU A 746 -3.007 -11.243 -6.167 1.00 2.41 H new ATOM 0 HD13 LEU A 746 -3.062 -12.027 -7.763 1.00 2.41 H new ATOM 0 HD21 LEU A 746 -0.025 -11.955 -8.220 1.00 0.05 H new ATOM 0 HD22 LEU A 746 -1.236 -11.516 -9.448 1.00 0.05 H new ATOM 0 HD23 LEU A 746 0.045 -10.361 -9.009 1.00 0.05 H new ATOM 633 N VAL A 747 0.415 -7.692 -9.559 1.00 71.32 N ATOM 634 CA VAL A 747 1.267 -7.580 -10.734 1.00 42.32 C ATOM 635 C VAL A 747 1.915 -8.916 -11.065 1.00 34.42 C ATOM 636 O VAL A 747 1.808 -9.407 -12.191 1.00 32.41 O ATOM 637 CB VAL A 747 2.367 -6.519 -10.524 1.00 1.23 C ATOM 638 CG1 VAL A 747 3.222 -6.369 -11.774 1.00 24.04 C ATOM 639 CG2 VAL A 747 1.754 -5.185 -10.132 1.00 41.32 C ATOM 0 H VAL A 747 0.860 -7.403 -8.688 1.00 71.32 H new ATOM 0 HA VAL A 747 0.632 -7.274 -11.566 1.00 42.32 H new ATOM 0 HB VAL A 747 3.011 -6.854 -9.711 1.00 1.23 H new ATOM 0 HG11 VAL A 747 3.990 -5.615 -11.601 1.00 24.04 H new ATOM 0 HG12 VAL A 747 3.695 -7.323 -12.008 1.00 24.04 H new ATOM 0 HG13 VAL A 747 2.594 -6.061 -12.610 1.00 24.04 H new ATOM 0 HG21 VAL A 747 2.545 -4.449 -9.988 1.00 41.32 H new ATOM 0 HG22 VAL A 747 1.083 -4.847 -10.922 1.00 41.32 H new ATOM 0 HG23 VAL A 747 1.193 -5.301 -9.204 1.00 41.32 H new ATOM 649 N ASP A 748 2.570 -9.506 -10.077 1.00 63.21 N ATOM 650 CA ASP A 748 3.305 -10.746 -10.282 1.00 33.33 C ATOM 651 C ASP A 748 2.903 -11.788 -9.252 1.00 42.23 C ATOM 652 O ASP A 748 2.594 -11.455 -8.109 1.00 32.14 O ATOM 653 CB ASP A 748 4.813 -10.493 -10.198 1.00 1.22 C ATOM 654 CG ASP A 748 5.631 -11.761 -10.362 1.00 53.21 C ATOM 655 OD1 ASP A 748 5.908 -12.140 -11.519 1.00 11.02 O ATOM 656 OD2 ASP A 748 6.003 -12.380 -9.342 1.00 32.11 O ATOM 0 H ASP A 748 2.608 -9.146 -9.123 1.00 63.21 H new ATOM 0 HA ASP A 748 3.060 -11.122 -11.275 1.00 33.33 H new ATOM 0 HB2 ASP A 748 5.101 -9.778 -10.969 1.00 1.22 H new ATOM 0 HB3 ASP A 748 5.047 -10.036 -9.236 1.00 1.22 H new ATOM 661 N GLN A 749 2.900 -13.043 -9.661 1.00 73.44 N ATOM 662 CA GLN A 749 2.617 -14.137 -8.756 1.00 43.00 C ATOM 663 C GLN A 749 3.652 -15.238 -8.930 1.00 41.10 C ATOM 664 O GLN A 749 3.536 -16.092 -9.811 1.00 2.34 O ATOM 665 CB GLN A 749 1.204 -14.692 -8.976 1.00 22.42 C ATOM 666 CG GLN A 749 0.861 -15.864 -8.068 1.00 53.22 C ATOM 667 CD GLN A 749 -0.518 -16.436 -8.338 1.00 70.11 C ATOM 668 OE1 GLN A 749 -1.438 -15.592 -8.780 1.00 64.21 O flip ATOM 669 NE2 GLN A 749 -0.758 -17.625 -8.143 1.00 53.32 N flip ATOM 0 H GLN A 749 3.092 -13.329 -10.621 1.00 73.44 H new ATOM 0 HA GLN A 749 2.669 -13.756 -7.736 1.00 43.00 H new ATOM 0 HB2 GLN A 749 0.480 -13.894 -8.814 1.00 22.42 H new ATOM 0 HB3 GLN A 749 1.104 -15.007 -10.015 1.00 22.42 H new ATOM 0 HG2 GLN A 749 1.606 -16.649 -8.199 1.00 53.22 H new ATOM 0 HG3 GLN A 749 0.918 -15.541 -7.029 1.00 53.22 H new ATOM 0 HE21 GLN A 749 -0.023 -18.244 -7.802 1.00 53.32 H new ATOM 0 HE22 GLN A 749 -1.692 -17.993 -8.322 1.00 53.32 H new ATOM 678 N SER A 750 4.687 -15.184 -8.116 1.00 14.44 N ATOM 679 CA SER A 750 5.677 -16.239 -8.073 1.00 42.10 C ATOM 680 C SER A 750 5.444 -17.059 -6.815 1.00 24.12 C ATOM 681 O SER A 750 6.071 -16.827 -5.781 1.00 11.55 O ATOM 682 CB SER A 750 7.090 -15.649 -8.088 1.00 52.13 C ATOM 683 OG SER A 750 7.270 -14.781 -9.201 1.00 40.44 O ATOM 0 H SER A 750 4.864 -14.414 -7.471 1.00 14.44 H new ATOM 0 HA SER A 750 5.582 -16.879 -8.951 1.00 42.10 H new ATOM 0 HB2 SER A 750 7.269 -15.101 -7.163 1.00 52.13 H new ATOM 0 HB3 SER A 750 7.823 -16.454 -8.128 1.00 52.13 H new ATOM 0 HG SER A 750 6.675 -14.008 -9.112 1.00 40.44 H new ATOM 689 N GLY A 751 4.504 -17.989 -6.890 1.00 14.01 N ATOM 690 CA GLY A 751 4.071 -18.670 -5.698 1.00 75.00 C ATOM 691 C GLY A 751 4.112 -20.177 -5.794 1.00 1.15 C ATOM 692 O GLY A 751 3.173 -20.797 -6.296 1.00 70.43 O ATOM 0 H GLY A 751 4.039 -18.280 -7.750 1.00 14.01 H new ATOM 0 HA2 GLY A 751 4.698 -18.353 -4.865 1.00 75.00 H new ATOM 0 HA3 GLY A 751 3.052 -18.360 -5.466 1.00 75.00 H new ATOM 696 N PRO A 752 5.205 -20.797 -5.336 1.00 21.23 N ATOM 697 CA PRO A 752 5.238 -22.235 -5.067 1.00 3.52 C ATOM 698 C PRO A 752 4.210 -22.596 -3.991 1.00 3.30 C ATOM 699 O PRO A 752 3.702 -21.711 -3.300 1.00 42.11 O ATOM 700 CB PRO A 752 6.665 -22.472 -4.554 1.00 10.12 C ATOM 701 CG PRO A 752 7.159 -21.130 -4.142 1.00 11.45 C ATOM 702 CD PRO A 752 6.500 -20.157 -5.069 1.00 23.04 C ATOM 0 HA PRO A 752 4.997 -22.841 -5.940 1.00 3.52 H new ATOM 0 HB2 PRO A 752 6.672 -23.169 -3.716 1.00 10.12 H new ATOM 0 HB3 PRO A 752 7.296 -22.903 -5.331 1.00 10.12 H new ATOM 0 HG2 PRO A 752 6.901 -20.919 -3.104 1.00 11.45 H new ATOM 0 HG3 PRO A 752 8.245 -21.071 -4.219 1.00 11.45 H new ATOM 0 HD2 PRO A 752 6.380 -19.176 -4.609 1.00 23.04 H new ATOM 0 HD3 PRO A 752 7.077 -20.013 -5.982 1.00 23.04 H new ATOM 710 N PRO A 753 3.885 -23.884 -3.817 1.00 64.30 N ATOM 711 CA PRO A 753 2.873 -24.308 -2.844 1.00 33.44 C ATOM 712 C PRO A 753 3.215 -23.876 -1.419 1.00 42.14 C ATOM 713 O PRO A 753 2.332 -23.508 -0.643 1.00 43.25 O ATOM 714 CB PRO A 753 2.871 -25.834 -2.950 1.00 73.42 C ATOM 715 CG PRO A 753 4.142 -26.187 -3.644 1.00 52.23 C ATOM 716 CD PRO A 753 4.459 -25.026 -4.543 1.00 22.44 C ATOM 0 HA PRO A 753 1.904 -23.856 -3.056 1.00 33.44 H new ATOM 0 HB2 PRO A 753 2.821 -26.296 -1.964 1.00 73.42 H new ATOM 0 HB3 PRO A 753 2.006 -26.187 -3.512 1.00 73.42 H new ATOM 0 HG2 PRO A 753 4.945 -26.355 -2.926 1.00 52.23 H new ATOM 0 HG3 PRO A 753 4.030 -27.106 -4.219 1.00 52.23 H new ATOM 0 HD2 PRO A 753 5.533 -24.912 -4.692 1.00 22.44 H new ATOM 0 HD3 PRO A 753 4.011 -25.144 -5.530 1.00 22.44 H new ATOM 724 N HIS A 754 4.498 -23.905 -1.087 1.00 5.33 N ATOM 725 CA HIS A 754 4.946 -23.567 0.257 1.00 61.24 C ATOM 726 C HIS A 754 5.068 -22.056 0.447 1.00 34.02 C ATOM 727 O HIS A 754 4.953 -21.555 1.566 1.00 54.45 O ATOM 728 CB HIS A 754 6.283 -24.258 0.561 1.00 21.44 C ATOM 729 CG HIS A 754 7.388 -23.912 -0.393 1.00 21.01 C ATOM 730 ND1 HIS A 754 7.479 -24.504 -1.630 1.00 44.32 N ATOM 731 CD2 HIS A 754 8.414 -23.043 -0.243 1.00 20.33 C ATOM 732 CE1 HIS A 754 8.555 -23.986 -2.198 1.00 53.24 C ATOM 733 NE2 HIS A 754 9.150 -23.097 -1.397 1.00 11.40 N ATOM 0 H HIS A 754 5.248 -24.159 -1.730 1.00 5.33 H new ATOM 0 HA HIS A 754 4.194 -23.926 0.959 1.00 61.24 H new ATOM 0 HB2 HIS A 754 6.594 -23.992 1.571 1.00 21.44 H new ATOM 0 HB3 HIS A 754 6.132 -25.337 0.548 1.00 21.44 H new ATOM 0 HD2 HIS A 754 8.614 -22.426 0.620 1.00 20.33 H new ATOM 0 HE1 HIS A 754 8.908 -24.248 -3.184 1.00 53.24 H new ATOM 0 HE2 HIS A 754 9.992 -22.561 -1.605 1.00 11.40 H new ATOM 741 N GLU A 755 5.271 -21.330 -0.647 1.00 51.31 N ATOM 742 CA GLU A 755 5.469 -19.884 -0.583 1.00 53.53 C ATOM 743 C GLU A 755 4.775 -19.159 -1.734 1.00 14.03 C ATOM 744 O GLU A 755 5.434 -18.715 -2.674 1.00 2.20 O ATOM 745 CB GLU A 755 6.964 -19.548 -0.603 1.00 30.12 C ATOM 746 CG GLU A 755 7.627 -19.567 0.764 1.00 44.25 C ATOM 747 CD GLU A 755 7.034 -18.543 1.712 1.00 1.45 C ATOM 748 OE1 GLU A 755 7.283 -17.333 1.527 1.00 33.13 O ATOM 749 OE2 GLU A 755 6.321 -18.944 2.652 1.00 43.54 O ATOM 0 H GLU A 755 5.303 -21.718 -1.590 1.00 51.31 H new ATOM 0 HA GLU A 755 5.024 -19.543 0.352 1.00 53.53 H new ATOM 0 HB2 GLU A 755 7.476 -20.259 -1.252 1.00 30.12 H new ATOM 0 HB3 GLU A 755 7.097 -18.560 -1.045 1.00 30.12 H new ATOM 0 HG2 GLU A 755 7.526 -20.561 1.199 1.00 44.25 H new ATOM 0 HG3 GLU A 755 8.694 -19.376 0.649 1.00 44.25 H new ATOM 756 N PRO A 756 3.437 -19.035 -1.696 1.00 13.44 N ATOM 757 CA PRO A 756 2.699 -18.281 -2.710 1.00 33.31 C ATOM 758 C PRO A 756 2.912 -16.778 -2.559 1.00 43.03 C ATOM 759 O PRO A 756 2.130 -16.091 -1.909 1.00 4.32 O ATOM 760 CB PRO A 756 1.240 -18.658 -2.452 1.00 44.04 C ATOM 761 CG PRO A 756 1.192 -19.051 -1.014 1.00 33.42 C ATOM 762 CD PRO A 756 2.544 -19.624 -0.681 1.00 13.11 C ATOM 0 HA PRO A 756 3.026 -18.516 -3.723 1.00 33.31 H new ATOM 0 HB2 PRO A 756 0.574 -17.819 -2.655 1.00 44.04 H new ATOM 0 HB3 PRO A 756 0.924 -19.479 -3.096 1.00 44.04 H new ATOM 0 HG2 PRO A 756 0.970 -18.190 -0.384 1.00 33.42 H new ATOM 0 HG3 PRO A 756 0.406 -19.785 -0.839 1.00 33.42 H new ATOM 0 HD2 PRO A 756 2.854 -19.355 0.329 1.00 13.11 H new ATOM 0 HD3 PRO A 756 2.541 -20.713 -0.735 1.00 13.11 H new ATOM 770 N LYS A 757 3.993 -16.277 -3.142 1.00 15.04 N ATOM 771 CA LYS A 757 4.368 -14.884 -2.977 1.00 22.20 C ATOM 772 C LYS A 757 3.767 -14.015 -4.079 1.00 64.43 C ATOM 773 O LYS A 757 4.110 -14.139 -5.259 1.00 43.33 O ATOM 774 CB LYS A 757 5.895 -14.758 -2.938 1.00 62.32 C ATOM 775 CG LYS A 757 6.402 -13.339 -2.727 1.00 31.33 C ATOM 776 CD LYS A 757 7.856 -13.328 -2.269 1.00 71.04 C ATOM 777 CE LYS A 757 8.770 -14.083 -3.229 1.00 24.11 C ATOM 778 NZ LYS A 757 8.895 -13.405 -4.545 1.00 32.21 N ATOM 0 H LYS A 757 4.624 -16.817 -3.733 1.00 15.04 H new ATOM 0 HA LYS A 757 3.965 -14.524 -2.030 1.00 22.20 H new ATOM 0 HB2 LYS A 757 6.280 -15.391 -2.138 1.00 62.32 H new ATOM 0 HB3 LYS A 757 6.303 -15.142 -3.873 1.00 62.32 H new ATOM 0 HG2 LYS A 757 6.308 -12.776 -3.655 1.00 31.33 H new ATOM 0 HG3 LYS A 757 5.782 -12.836 -1.985 1.00 31.33 H new ATOM 0 HD2 LYS A 757 8.199 -12.297 -2.179 1.00 71.04 H new ATOM 0 HD3 LYS A 757 7.926 -13.775 -1.277 1.00 71.04 H new ATOM 0 HE2 LYS A 757 9.758 -14.185 -2.781 1.00 24.11 H new ATOM 0 HE3 LYS A 757 8.382 -15.091 -3.378 1.00 24.11 H new ATOM 0 HZ1 LYS A 757 9.526 -13.957 -5.161 1.00 32.21 H new ATOM 0 HZ2 LYS A 757 7.957 -13.330 -4.988 1.00 32.21 H new ATOM 0 HZ3 LYS A 757 9.290 -12.453 -4.409 1.00 32.21 H new ATOM 792 N PHE A 758 2.862 -13.139 -3.677 1.00 4.22 N ATOM 793 CA PHE A 758 2.178 -12.251 -4.601 1.00 32.41 C ATOM 794 C PHE A 758 2.822 -10.875 -4.579 1.00 70.01 C ATOM 795 O PHE A 758 3.289 -10.420 -3.536 1.00 31.11 O ATOM 796 CB PHE A 758 0.699 -12.128 -4.222 1.00 35.23 C ATOM 797 CG PHE A 758 0.000 -13.448 -4.087 1.00 33.05 C ATOM 798 CD1 PHE A 758 -0.524 -14.082 -5.198 1.00 11.25 C ATOM 799 CD2 PHE A 758 -0.130 -14.053 -2.848 1.00 12.43 C ATOM 800 CE1 PHE A 758 -1.164 -15.298 -5.079 1.00 51.13 C ATOM 801 CE2 PHE A 758 -0.769 -15.271 -2.722 1.00 64.42 C ATOM 802 CZ PHE A 758 -1.285 -15.893 -3.841 1.00 23.50 C ATOM 0 H PHE A 758 2.581 -13.024 -2.703 1.00 4.22 H new ATOM 0 HA PHE A 758 2.257 -12.670 -5.604 1.00 32.41 H new ATOM 0 HB2 PHE A 758 0.618 -11.586 -3.280 1.00 35.23 H new ATOM 0 HB3 PHE A 758 0.188 -11.532 -4.978 1.00 35.23 H new ATOM 0 HD1 PHE A 758 -0.431 -13.620 -6.170 1.00 11.25 H new ATOM 0 HD2 PHE A 758 0.272 -13.567 -1.971 1.00 12.43 H new ATOM 0 HE1 PHE A 758 -1.570 -15.783 -5.954 1.00 51.13 H new ATOM 0 HE2 PHE A 758 -0.865 -15.735 -1.751 1.00 64.42 H new ATOM 0 HZ PHE A 758 -1.784 -16.846 -3.747 1.00 23.50 H new ATOM 812 N VAL A 759 2.861 -10.226 -5.729 1.00 2.44 N ATOM 813 CA VAL A 759 3.390 -8.876 -5.829 1.00 51.20 C ATOM 814 C VAL A 759 2.259 -7.892 -6.095 1.00 42.33 C ATOM 815 O VAL A 759 1.644 -7.918 -7.164 1.00 3.21 O ATOM 816 CB VAL A 759 4.443 -8.756 -6.951 1.00 64.13 C ATOM 817 CG1 VAL A 759 5.039 -7.357 -6.994 1.00 55.21 C ATOM 818 CG2 VAL A 759 5.535 -9.799 -6.772 1.00 32.54 C ATOM 0 H VAL A 759 2.531 -10.614 -6.612 1.00 2.44 H new ATOM 0 HA VAL A 759 3.874 -8.643 -4.880 1.00 51.20 H new ATOM 0 HB VAL A 759 3.944 -8.938 -7.903 1.00 64.13 H new ATOM 0 HG11 VAL A 759 5.778 -7.301 -7.793 1.00 55.21 H new ATOM 0 HG12 VAL A 759 4.248 -6.630 -7.179 1.00 55.21 H new ATOM 0 HG13 VAL A 759 5.519 -7.136 -6.040 1.00 55.21 H new ATOM 0 HG21 VAL A 759 6.268 -9.699 -7.572 1.00 32.54 H new ATOM 0 HG22 VAL A 759 6.025 -9.651 -5.810 1.00 32.54 H new ATOM 0 HG23 VAL A 759 5.095 -10.796 -6.805 1.00 32.54 H new ATOM 828 N TYR A 760 1.981 -7.045 -5.122 1.00 44.22 N ATOM 829 CA TYR A 760 0.933 -6.047 -5.248 1.00 64.50 C ATOM 830 C TYR A 760 1.534 -4.662 -5.414 1.00 64.12 C ATOM 831 O TYR A 760 2.511 -4.311 -4.747 1.00 43.23 O ATOM 832 CB TYR A 760 0.001 -6.073 -4.032 1.00 50.24 C ATOM 833 CG TYR A 760 -1.223 -6.945 -4.214 1.00 54.42 C ATOM 834 CD1 TYR A 760 -1.190 -8.304 -3.932 1.00 41.14 C ATOM 835 CD2 TYR A 760 -2.419 -6.399 -4.668 1.00 23.32 C ATOM 836 CE1 TYR A 760 -2.313 -9.094 -4.099 1.00 3.42 C ATOM 837 CE2 TYR A 760 -3.545 -7.182 -4.837 1.00 71.33 C ATOM 838 CZ TYR A 760 -3.489 -8.527 -4.551 1.00 14.14 C ATOM 839 OH TYR A 760 -4.610 -9.309 -4.719 1.00 14.12 O ATOM 0 H TYR A 760 2.471 -7.028 -4.227 1.00 44.22 H new ATOM 0 HA TYR A 760 0.347 -6.286 -6.136 1.00 64.50 H new ATOM 0 HB2 TYR A 760 0.560 -6.426 -3.166 1.00 50.24 H new ATOM 0 HB3 TYR A 760 -0.320 -5.055 -3.811 1.00 50.24 H new ATOM 0 HD1 TYR A 760 -0.273 -8.751 -3.577 1.00 41.14 H new ATOM 0 HD2 TYR A 760 -2.469 -5.344 -4.893 1.00 23.32 H new ATOM 0 HE1 TYR A 760 -2.271 -10.150 -3.877 1.00 3.42 H new ATOM 0 HE2 TYR A 760 -4.465 -6.741 -5.192 1.00 71.33 H new ATOM 0 HH TYR A 760 -5.351 -8.754 -5.042 1.00 14.12 H new ATOM 849 N GLN A 761 0.953 -3.884 -6.310 1.00 75.43 N ATOM 850 CA GLN A 761 1.393 -2.521 -6.537 1.00 60.21 C ATOM 851 C GLN A 761 0.212 -1.577 -6.387 1.00 3.52 C ATOM 852 O GLN A 761 -0.883 -1.854 -6.886 1.00 41.32 O ATOM 853 CB GLN A 761 2.017 -2.379 -7.927 1.00 0.00 C ATOM 854 CG GLN A 761 2.682 -1.034 -8.173 1.00 42.15 C ATOM 855 CD GLN A 761 3.361 -0.960 -9.525 1.00 15.45 C ATOM 856 OE1 GLN A 761 2.927 -1.589 -10.489 1.00 50.32 O ATOM 857 NE2 GLN A 761 4.444 -0.203 -9.603 1.00 21.41 N ATOM 0 H GLN A 761 0.170 -4.176 -6.895 1.00 75.43 H new ATOM 0 HA GLN A 761 2.153 -2.266 -5.799 1.00 60.21 H new ATOM 0 HB2 GLN A 761 2.756 -3.168 -8.064 1.00 0.00 H new ATOM 0 HB3 GLN A 761 1.243 -2.533 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 761 1.934 -0.244 -8.102 1.00 42.15 H new ATOM 0 HG3 GLN A 761 3.417 -0.848 -7.390 1.00 42.15 H new ATOM 0 HE21 GLN A 761 4.773 0.303 -8.781 1.00 21.41 H new ATOM 0 HE22 GLN A 761 4.950 -0.126 -10.485 1.00 21.41 H new ATOM 866 N ALA A 762 0.432 -0.476 -5.688 1.00 44.02 N ATOM 867 CA ALA A 762 -0.623 0.490 -5.451 1.00 74.02 C ATOM 868 C ALA A 762 -0.628 1.554 -6.538 1.00 4.24 C ATOM 869 O ALA A 762 0.358 2.264 -6.742 1.00 21.44 O ATOM 870 CB ALA A 762 -0.474 1.122 -4.075 1.00 24.01 C ATOM 0 H ALA A 762 1.332 -0.231 -5.276 1.00 44.02 H new ATOM 0 HA ALA A 762 -1.579 -0.032 -5.482 1.00 74.02 H new ATOM 0 HB1 ALA A 762 -1.275 1.844 -3.917 1.00 24.01 H new ATOM 0 HB2 ALA A 762 -0.528 0.347 -3.311 1.00 24.01 H new ATOM 0 HB3 ALA A 762 0.489 1.629 -4.010 1.00 24.01 H new ATOM 876 N LYS A 763 -1.737 1.642 -7.248 1.00 72.04 N ATOM 877 CA LYS A 763 -1.910 2.640 -8.284 1.00 51.34 C ATOM 878 C LYS A 763 -2.697 3.813 -7.726 1.00 24.22 C ATOM 879 O LYS A 763 -3.922 3.761 -7.640 1.00 12.13 O ATOM 880 CB LYS A 763 -2.643 2.036 -9.485 1.00 72.43 C ATOM 881 CG LYS A 763 -2.833 3.001 -10.645 1.00 42.43 C ATOM 882 CD LYS A 763 -3.671 2.372 -11.746 1.00 4.11 C ATOM 883 CE LYS A 763 -3.782 3.271 -12.966 1.00 12.41 C ATOM 884 NZ LYS A 763 -4.484 4.546 -12.669 1.00 31.50 N ATOM 0 H LYS A 763 -2.540 1.026 -7.123 1.00 72.04 H new ATOM 0 HA LYS A 763 -0.932 2.987 -8.616 1.00 51.34 H new ATOM 0 HB2 LYS A 763 -2.087 1.167 -9.837 1.00 72.43 H new ATOM 0 HB3 LYS A 763 -3.620 1.679 -9.159 1.00 72.43 H new ATOM 0 HG2 LYS A 763 -3.317 3.911 -10.290 1.00 42.43 H new ATOM 0 HG3 LYS A 763 -1.861 3.291 -11.044 1.00 42.43 H new ATOM 0 HD2 LYS A 763 -3.229 1.419 -12.038 1.00 4.11 H new ATOM 0 HD3 LYS A 763 -4.669 2.157 -11.363 1.00 4.11 H new ATOM 0 HE2 LYS A 763 -2.784 3.489 -13.345 1.00 12.41 H new ATOM 0 HE3 LYS A 763 -4.314 2.742 -13.756 1.00 12.41 H new ATOM 0 HZ1 LYS A 763 -4.834 4.964 -13.555 1.00 31.50 H new ATOM 0 HZ2 LYS A 763 -5.286 4.361 -12.033 1.00 31.50 H new ATOM 0 HZ3 LYS A 763 -3.824 5.207 -12.211 1.00 31.50 H new ATOM 898 N VAL A 764 -1.995 4.850 -7.314 1.00 35.32 N ATOM 899 CA VAL A 764 -2.640 6.021 -6.749 1.00 30.54 C ATOM 900 C VAL A 764 -2.739 7.114 -7.801 1.00 71.31 C ATOM 901 O VAL A 764 -1.774 7.829 -8.068 1.00 5.50 O ATOM 902 CB VAL A 764 -1.886 6.537 -5.507 1.00 11.53 C ATOM 903 CG1 VAL A 764 -2.594 7.737 -4.895 1.00 3.13 C ATOM 904 CG2 VAL A 764 -1.741 5.421 -4.484 1.00 72.24 C ATOM 0 H VAL A 764 -0.978 4.907 -7.359 1.00 35.32 H new ATOM 0 HA VAL A 764 -3.643 5.736 -6.431 1.00 30.54 H new ATOM 0 HB VAL A 764 -0.893 6.861 -5.818 1.00 11.53 H new ATOM 0 HG11 VAL A 764 -2.040 8.080 -4.021 1.00 3.13 H new ATOM 0 HG12 VAL A 764 -2.647 8.541 -5.629 1.00 3.13 H new ATOM 0 HG13 VAL A 764 -3.602 7.451 -4.596 1.00 3.13 H new ATOM 0 HG21 VAL A 764 -1.207 5.795 -3.610 1.00 72.24 H new ATOM 0 HG22 VAL A 764 -2.729 5.072 -4.184 1.00 72.24 H new ATOM 0 HG23 VAL A 764 -1.183 4.595 -4.924 1.00 72.24 H new ATOM 914 N GLY A 765 -3.906 7.213 -8.420 1.00 33.34 N ATOM 915 CA GLY A 765 -4.085 8.146 -9.508 1.00 23.11 C ATOM 916 C GLY A 765 -3.285 7.719 -10.716 1.00 14.31 C ATOM 917 O GLY A 765 -3.611 6.723 -11.360 1.00 1.55 O ATOM 0 H GLY A 765 -4.732 6.662 -8.186 1.00 33.34 H new ATOM 0 HA2 GLY A 765 -5.141 8.209 -9.769 1.00 23.11 H new ATOM 0 HA3 GLY A 765 -3.774 9.142 -9.194 1.00 23.11 H new ATOM 921 N GLY A 766 -2.218 8.443 -11.002 1.00 24.53 N ATOM 922 CA GLY A 766 -1.350 8.074 -12.096 1.00 12.50 C ATOM 923 C GLY A 766 0.028 7.679 -11.612 1.00 71.41 C ATOM 924 O GLY A 766 0.949 7.505 -12.409 1.00 44.41 O ATOM 0 H GLY A 766 -1.937 9.282 -10.495 1.00 24.53 H new ATOM 0 HA2 GLY A 766 -1.793 7.245 -12.648 1.00 12.50 H new ATOM 0 HA3 GLY A 766 -1.265 8.910 -12.791 1.00 12.50 H new ATOM 928 N ARG A 767 0.170 7.542 -10.301 1.00 31.51 N ATOM 929 CA ARG A 767 1.449 7.195 -9.703 1.00 31.43 C ATOM 930 C ARG A 767 1.414 5.755 -9.199 1.00 72.12 C ATOM 931 O ARG A 767 0.583 5.399 -8.362 1.00 51.02 O ATOM 932 CB ARG A 767 1.766 8.153 -8.548 1.00 70.12 C ATOM 933 CG ARG A 767 3.229 8.580 -8.468 1.00 11.13 C ATOM 934 CD ARG A 767 4.168 7.389 -8.355 1.00 41.00 C ATOM 935 NE ARG A 767 5.559 7.793 -8.163 1.00 3.12 N ATOM 936 CZ ARG A 767 6.604 7.076 -8.579 1.00 61.41 C ATOM 937 NH1 ARG A 767 6.413 5.956 -9.263 1.00 43.43 N ATOM 938 NH2 ARG A 767 7.841 7.481 -8.318 1.00 31.01 N ATOM 0 H ARG A 767 -0.588 7.667 -9.630 1.00 31.51 H new ATOM 0 HA ARG A 767 2.230 7.285 -10.458 1.00 31.43 H new ATOM 0 HB2 ARG A 767 1.145 9.043 -8.649 1.00 70.12 H new ATOM 0 HB3 ARG A 767 1.487 7.675 -7.609 1.00 70.12 H new ATOM 0 HG2 ARG A 767 3.486 9.160 -9.354 1.00 11.13 H new ATOM 0 HG3 ARG A 767 3.369 9.234 -7.607 1.00 11.13 H new ATOM 0 HD2 ARG A 767 3.856 6.762 -7.520 1.00 41.00 H new ATOM 0 HD3 ARG A 767 4.090 6.781 -9.257 1.00 41.00 H new ATOM 0 HE ARG A 767 5.741 8.674 -7.683 1.00 3.12 H new ATOM 0 HH11 ARG A 767 5.466 5.641 -9.472 1.00 43.43 H new ATOM 0 HH12 ARG A 767 7.214 5.409 -9.580 1.00 43.43 H new ATOM 0 HH21 ARG A 767 7.996 8.344 -7.797 1.00 31.01 H new ATOM 0 HH22 ARG A 767 8.637 6.929 -8.638 1.00 31.01 H new ATOM 952 N TRP A 768 2.308 4.933 -9.721 1.00 52.33 N ATOM 953 CA TRP A 768 2.405 3.538 -9.312 1.00 13.42 C ATOM 954 C TRP A 768 3.452 3.392 -8.214 1.00 74.24 C ATOM 955 O TRP A 768 4.647 3.565 -8.470 1.00 14.24 O ATOM 956 CB TRP A 768 2.797 2.658 -10.501 1.00 5.42 C ATOM 957 CG TRP A 768 1.870 2.758 -11.674 1.00 0.01 C ATOM 958 CD1 TRP A 768 1.834 3.750 -12.613 1.00 75.42 C ATOM 959 CD2 TRP A 768 0.861 1.816 -12.050 1.00 12.42 C ATOM 960 NE1 TRP A 768 0.861 3.485 -13.542 1.00 63.10 N ATOM 961 CE2 TRP A 768 0.249 2.304 -13.219 1.00 60.44 C ATOM 962 CE3 TRP A 768 0.411 0.609 -11.508 1.00 15.15 C ATOM 963 CZ2 TRP A 768 -0.784 1.626 -13.857 1.00 20.03 C ATOM 964 CZ3 TRP A 768 -0.613 -0.063 -12.143 1.00 43.15 C ATOM 965 CH2 TRP A 768 -1.202 0.446 -13.307 1.00 52.34 C ATOM 0 H TRP A 768 2.983 5.208 -10.435 1.00 52.33 H new ATOM 0 HA TRP A 768 1.432 3.220 -8.938 1.00 13.42 H new ATOM 0 HB2 TRP A 768 3.802 2.929 -10.823 1.00 5.42 H new ATOM 0 HB3 TRP A 768 2.837 1.620 -10.172 1.00 5.42 H new ATOM 0 HD1 TRP A 768 2.478 4.617 -12.622 1.00 75.42 H new ATOM 0 HE1 TRP A 768 0.631 4.072 -14.343 1.00 63.10 H new ATOM 0 HE3 TRP A 768 0.857 0.210 -10.609 1.00 15.15 H new ATOM 0 HZ2 TRP A 768 -1.240 2.017 -14.755 1.00 20.03 H new ATOM 0 HZ3 TRP A 768 -0.967 -0.998 -11.735 1.00 43.15 H new ATOM 0 HH2 TRP A 768 -2.002 -0.104 -13.780 1.00 52.34 H new ATOM 976 N PHE A 769 3.010 3.090 -7.003 1.00 14.33 N ATOM 977 CA PHE A 769 3.918 2.946 -5.871 1.00 12.32 C ATOM 978 C PHE A 769 3.164 2.472 -4.634 1.00 31.43 C ATOM 979 O PHE A 769 2.053 2.921 -4.367 1.00 25.13 O ATOM 980 CB PHE A 769 4.627 4.276 -5.564 1.00 64.24 C ATOM 981 CG PHE A 769 3.751 5.298 -4.891 1.00 51.25 C ATOM 982 CD1 PHE A 769 2.773 5.976 -5.600 1.00 35.42 C ATOM 983 CD2 PHE A 769 3.907 5.573 -3.544 1.00 61.22 C ATOM 984 CE1 PHE A 769 1.969 6.909 -4.979 1.00 3.04 C ATOM 985 CE2 PHE A 769 3.107 6.504 -2.915 1.00 51.32 C ATOM 986 CZ PHE A 769 2.135 7.173 -3.634 1.00 4.32 C ATOM 0 H PHE A 769 2.027 2.939 -6.777 1.00 14.33 H new ATOM 0 HA PHE A 769 4.667 2.201 -6.139 1.00 12.32 H new ATOM 0 HB2 PHE A 769 5.490 4.077 -4.928 1.00 64.24 H new ATOM 0 HB3 PHE A 769 5.008 4.696 -6.495 1.00 64.24 H new ATOM 0 HD1 PHE A 769 2.638 5.772 -6.652 1.00 35.42 H new ATOM 0 HD2 PHE A 769 4.665 5.052 -2.978 1.00 61.22 H new ATOM 0 HE1 PHE A 769 1.211 7.432 -5.544 1.00 3.04 H new ATOM 0 HE2 PHE A 769 3.240 6.710 -1.863 1.00 51.32 H new ATOM 0 HZ PHE A 769 1.506 7.902 -3.144 1.00 4.32 H new ATOM 996 N PRO A 770 3.750 1.543 -3.877 1.00 43.34 N ATOM 997 CA PRO A 770 4.987 0.879 -4.234 1.00 12.04 C ATOM 998 C PRO A 770 4.719 -0.496 -4.843 1.00 43.22 C ATOM 999 O PRO A 770 3.573 -0.835 -5.139 1.00 4.44 O ATOM 1000 CB PRO A 770 5.659 0.739 -2.873 1.00 71.01 C ATOM 1001 CG PRO A 770 4.528 0.536 -1.913 1.00 41.34 C ATOM 1002 CD PRO A 770 3.276 1.082 -2.571 1.00 2.44 C ATOM 0 HA PRO A 770 5.578 1.415 -4.977 1.00 12.04 H new ATOM 0 HB2 PRO A 770 6.349 -0.104 -2.857 1.00 71.01 H new ATOM 0 HB3 PRO A 770 6.237 1.629 -2.623 1.00 71.01 H new ATOM 0 HG2 PRO A 770 4.409 -0.522 -1.678 1.00 41.34 H new ATOM 0 HG3 PRO A 770 4.724 1.052 -0.973 1.00 41.34 H new ATOM 0 HD2 PRO A 770 2.508 0.315 -2.671 1.00 2.44 H new ATOM 0 HD3 PRO A 770 2.840 1.896 -1.992 1.00 2.44 H new ATOM 1010 N ALA A 771 5.767 -1.280 -5.026 1.00 74.12 N ATOM 1011 CA ALA A 771 5.622 -2.652 -5.481 1.00 24.23 C ATOM 1012 C ALA A 771 6.227 -3.602 -4.456 1.00 72.11 C ATOM 1013 O ALA A 771 7.447 -3.694 -4.330 1.00 1.23 O ATOM 1014 CB ALA A 771 6.277 -2.837 -6.841 1.00 32.41 C ATOM 0 H ALA A 771 6.731 -0.989 -4.866 1.00 74.12 H new ATOM 0 HA ALA A 771 4.561 -2.879 -5.586 1.00 24.23 H new ATOM 0 HB1 ALA A 771 6.158 -3.871 -7.165 1.00 32.41 H new ATOM 0 HB2 ALA A 771 5.805 -2.173 -7.565 1.00 32.41 H new ATOM 0 HB3 ALA A 771 7.338 -2.600 -6.769 1.00 32.41 H new ATOM 1020 N VAL A 772 5.374 -4.287 -3.710 1.00 42.02 N ATOM 1021 CA VAL A 772 5.840 -5.174 -2.651 1.00 20.45 C ATOM 1022 C VAL A 772 5.362 -6.600 -2.884 1.00 61.25 C ATOM 1023 O VAL A 772 4.406 -6.831 -3.625 1.00 30.40 O ATOM 1024 CB VAL A 772 5.368 -4.706 -1.257 1.00 43.12 C ATOM 1025 CG1 VAL A 772 5.930 -3.331 -0.929 1.00 60.41 C ATOM 1026 CG2 VAL A 772 3.850 -4.700 -1.176 1.00 42.42 C ATOM 0 H VAL A 772 4.360 -4.248 -3.816 1.00 42.02 H new ATOM 0 HA VAL A 772 6.929 -5.144 -2.678 1.00 20.45 H new ATOM 0 HB VAL A 772 5.746 -5.412 -0.517 1.00 43.12 H new ATOM 0 HG11 VAL A 772 5.584 -3.022 0.057 1.00 60.41 H new ATOM 0 HG12 VAL A 772 7.019 -3.372 -0.935 1.00 60.41 H new ATOM 0 HG13 VAL A 772 5.590 -2.612 -1.674 1.00 60.41 H new ATOM 0 HG21 VAL A 772 3.540 -4.367 -0.186 1.00 42.42 H new ATOM 0 HG22 VAL A 772 3.448 -4.022 -1.929 1.00 42.42 H new ATOM 0 HG23 VAL A 772 3.472 -5.707 -1.355 1.00 42.42 H new ATOM 1036 N CYS A 773 6.030 -7.549 -2.247 1.00 53.21 N ATOM 1037 CA CYS A 773 5.684 -8.952 -2.387 1.00 74.45 C ATOM 1038 C CYS A 773 5.453 -9.585 -1.021 1.00 60.24 C ATOM 1039 O CYS A 773 6.099 -9.214 -0.038 1.00 3.32 O ATOM 1040 CB CYS A 773 6.795 -9.692 -3.133 1.00 1.13 C ATOM 1041 SG CYS A 773 8.432 -9.506 -2.386 1.00 14.00 S ATOM 0 H CYS A 773 6.819 -7.370 -1.625 1.00 53.21 H new ATOM 0 HA CYS A 773 4.760 -9.028 -2.961 1.00 74.45 H new ATOM 0 HB2 CYS A 773 6.545 -10.752 -3.177 1.00 1.13 H new ATOM 0 HB3 CYS A 773 6.832 -9.330 -4.160 1.00 1.13 H new ATOM 0 HG CYS A 773 9.306 -10.168 -3.085 1.00 14.00 H new ATOM 1047 N ALA A 774 4.523 -10.527 -0.962 1.00 75.52 N ATOM 1048 CA ALA A 774 4.219 -11.239 0.269 1.00 74.13 C ATOM 1049 C ALA A 774 3.549 -12.568 -0.044 1.00 3.40 C ATOM 1050 O ALA A 774 2.810 -12.672 -1.019 1.00 74.42 O ATOM 1051 CB ALA A 774 3.321 -10.390 1.159 1.00 34.55 C ATOM 0 H ALA A 774 3.961 -10.818 -1.762 1.00 75.52 H new ATOM 0 HA ALA A 774 5.151 -11.436 0.800 1.00 74.13 H new ATOM 0 HB1 ALA A 774 3.100 -10.934 2.078 1.00 34.55 H new ATOM 0 HB2 ALA A 774 3.828 -9.456 1.403 1.00 34.55 H new ATOM 0 HB3 ALA A 774 2.391 -10.171 0.634 1.00 34.55 H new ATOM 1057 N HIS A 775 3.800 -13.584 0.776 1.00 1.24 N ATOM 1058 CA HIS A 775 3.189 -14.899 0.565 1.00 11.24 C ATOM 1059 C HIS A 775 1.744 -14.932 1.060 1.00 40.15 C ATOM 1060 O HIS A 775 1.165 -15.998 1.262 1.00 30.44 O ATOM 1061 CB HIS A 775 4.013 -16.026 1.218 1.00 11.21 C ATOM 1062 CG HIS A 775 4.261 -15.881 2.695 1.00 43.54 C ATOM 1063 ND1 HIS A 775 5.457 -16.232 3.279 1.00 43.11 N ATOM 1064 CD2 HIS A 775 3.467 -15.452 3.708 1.00 70.42 C ATOM 1065 CE1 HIS A 775 5.391 -16.023 4.579 1.00 31.42 C ATOM 1066 NE2 HIS A 775 4.194 -15.552 4.867 1.00 21.00 N ATOM 0 H HIS A 775 4.416 -13.527 1.587 1.00 1.24 H new ATOM 0 HA HIS A 775 3.182 -15.074 -0.511 1.00 11.24 H new ATOM 0 HB2 HIS A 775 3.501 -16.972 1.045 1.00 11.21 H new ATOM 0 HB3 HIS A 775 4.976 -16.088 0.711 1.00 11.21 H new ATOM 0 HD1 HIS A 775 6.269 -16.598 2.782 1.00 43.11 H new ATOM 0 HD2 HIS A 775 2.451 -15.097 3.619 1.00 70.42 H new ATOM 0 HE1 HIS A 775 6.184 -16.207 5.289 1.00 31.42 H new ATOM 1075 N SER A 776 1.173 -13.755 1.246 1.00 14.33 N ATOM 1076 CA SER A 776 -0.218 -13.617 1.630 1.00 21.02 C ATOM 1077 C SER A 776 -0.810 -12.407 0.921 1.00 0.42 C ATOM 1078 O SER A 776 -0.214 -11.328 0.927 1.00 42.22 O ATOM 1079 CB SER A 776 -0.336 -13.465 3.153 1.00 71.11 C ATOM 1080 OG SER A 776 -1.681 -13.276 3.564 1.00 12.04 O ATOM 0 H SER A 776 1.663 -12.867 1.134 1.00 14.33 H new ATOM 0 HA SER A 776 -0.770 -14.510 1.338 1.00 21.02 H new ATOM 0 HB2 SER A 776 0.071 -14.352 3.639 1.00 71.11 H new ATOM 0 HB3 SER A 776 0.266 -12.618 3.481 1.00 71.11 H new ATOM 0 HG SER A 776 -1.715 -13.185 4.539 1.00 12.04 H new ATOM 1086 N LYS A 777 -1.965 -12.596 0.294 1.00 40.14 N ATOM 1087 CA LYS A 777 -2.621 -11.528 -0.448 1.00 74.24 C ATOM 1088 C LYS A 777 -2.899 -10.344 0.472 1.00 5.01 C ATOM 1089 O LYS A 777 -2.685 -9.188 0.098 1.00 51.31 O ATOM 1090 CB LYS A 777 -3.924 -12.052 -1.075 1.00 54.03 C ATOM 1091 CG LYS A 777 -4.599 -11.079 -2.036 1.00 4.11 C ATOM 1092 CD LYS A 777 -5.435 -10.030 -1.313 1.00 33.32 C ATOM 1093 CE LYS A 777 -6.665 -10.633 -0.656 1.00 42.43 C ATOM 1094 NZ LYS A 777 -7.604 -11.205 -1.659 1.00 53.53 N ATOM 0 H LYS A 777 -2.468 -13.483 0.285 1.00 40.14 H new ATOM 0 HA LYS A 777 -1.963 -11.190 -1.249 1.00 74.24 H new ATOM 0 HB2 LYS A 777 -3.709 -12.979 -1.607 1.00 54.03 H new ATOM 0 HB3 LYS A 777 -4.624 -12.298 -0.276 1.00 54.03 H new ATOM 0 HG2 LYS A 777 -3.838 -10.581 -2.638 1.00 4.11 H new ATOM 0 HG3 LYS A 777 -5.236 -11.636 -2.724 1.00 4.11 H new ATOM 0 HD2 LYS A 777 -4.824 -9.539 -0.556 1.00 33.32 H new ATOM 0 HD3 LYS A 777 -5.743 -9.261 -2.022 1.00 33.32 H new ATOM 0 HE2 LYS A 777 -6.359 -11.413 0.041 1.00 42.43 H new ATOM 0 HE3 LYS A 777 -7.178 -9.868 -0.073 1.00 42.43 H new ATOM 0 HZ1 LYS A 777 -8.533 -11.358 -1.217 1.00 53.53 H new ATOM 0 HZ2 LYS A 777 -7.704 -10.545 -2.457 1.00 53.53 H new ATOM 0 HZ3 LYS A 777 -7.232 -12.112 -2.005 1.00 53.53 H new ATOM 1108 N LYS A 778 -3.364 -10.650 1.676 1.00 61.41 N ATOM 1109 CA LYS A 778 -3.656 -9.629 2.672 1.00 31.32 C ATOM 1110 C LYS A 778 -2.409 -8.800 2.971 1.00 51.01 C ATOM 1111 O LYS A 778 -2.457 -7.569 2.984 1.00 12.24 O ATOM 1112 CB LYS A 778 -4.171 -10.281 3.956 1.00 42.21 C ATOM 1113 CG LYS A 778 -4.557 -9.284 5.032 1.00 54.42 C ATOM 1114 CD LYS A 778 -5.134 -9.975 6.254 1.00 53.23 C ATOM 1115 CE LYS A 778 -5.579 -8.962 7.295 1.00 64.33 C ATOM 1116 NZ LYS A 778 -6.555 -7.992 6.736 1.00 54.54 N ATOM 0 H LYS A 778 -3.548 -11.604 1.987 1.00 61.41 H new ATOM 0 HA LYS A 778 -4.426 -8.968 2.275 1.00 31.32 H new ATOM 0 HB2 LYS A 778 -5.037 -10.899 3.718 1.00 42.21 H new ATOM 0 HB3 LYS A 778 -3.403 -10.947 4.349 1.00 42.21 H new ATOM 0 HG2 LYS A 778 -3.681 -8.703 5.322 1.00 54.42 H new ATOM 0 HG3 LYS A 778 -5.288 -8.581 4.632 1.00 54.42 H new ATOM 0 HD2 LYS A 778 -5.981 -10.595 5.959 1.00 53.23 H new ATOM 0 HD3 LYS A 778 -4.387 -10.641 6.686 1.00 53.23 H new ATOM 0 HE2 LYS A 778 -6.027 -9.483 8.141 1.00 64.33 H new ATOM 0 HE3 LYS A 778 -4.710 -8.425 7.675 1.00 64.33 H new ATOM 0 HZ1 LYS A 778 -7.288 -7.789 7.445 1.00 54.54 H new ATOM 0 HZ2 LYS A 778 -6.063 -7.111 6.484 1.00 54.54 H new ATOM 0 HZ3 LYS A 778 -6.998 -8.396 5.886 1.00 54.54 H new ATOM 1130 N GLN A 779 -1.293 -9.487 3.185 1.00 5.42 N ATOM 1131 CA GLN A 779 -0.028 -8.821 3.470 1.00 4.10 C ATOM 1132 C GLN A 779 0.401 -7.955 2.295 1.00 43.43 C ATOM 1133 O GLN A 779 0.860 -6.833 2.484 1.00 63.42 O ATOM 1134 CB GLN A 779 1.067 -9.841 3.781 1.00 33.14 C ATOM 1135 CG GLN A 779 0.823 -10.651 5.041 1.00 50.31 C ATOM 1136 CD GLN A 779 1.962 -11.603 5.341 1.00 22.25 C ATOM 1137 OE1 GLN A 779 2.643 -12.086 4.433 1.00 14.41 O ATOM 1138 NE2 GLN A 779 2.184 -11.879 6.616 1.00 54.42 N ATOM 0 H GLN A 779 -1.239 -10.505 3.167 1.00 5.42 H new ATOM 0 HA GLN A 779 -0.177 -8.187 4.344 1.00 4.10 H new ATOM 0 HB2 GLN A 779 1.163 -10.524 2.937 1.00 33.14 H new ATOM 0 HB3 GLN A 779 2.018 -9.318 3.877 1.00 33.14 H new ATOM 0 HG2 GLN A 779 0.686 -9.974 5.885 1.00 50.31 H new ATOM 0 HG3 GLN A 779 -0.102 -11.217 4.933 1.00 50.31 H new ATOM 0 HE21 GLN A 779 1.599 -11.459 7.338 1.00 54.42 H new ATOM 0 HE22 GLN A 779 2.941 -12.511 6.877 1.00 54.42 H new ATOM 1147 N GLY A 780 0.232 -8.479 1.085 1.00 0.11 N ATOM 1148 CA GLY A 780 0.622 -7.751 -0.111 1.00 63.34 C ATOM 1149 C GLY A 780 -0.045 -6.394 -0.204 1.00 23.14 C ATOM 1150 O GLY A 780 0.603 -5.396 -0.520 1.00 54.21 O ATOM 0 H GLY A 780 -0.170 -9.400 0.910 1.00 0.11 H new ATOM 0 HA2 GLY A 780 1.704 -7.622 -0.118 1.00 63.34 H new ATOM 0 HA3 GLY A 780 0.366 -8.340 -0.992 1.00 63.34 H new ATOM 1154 N LYS A 781 -1.337 -6.353 0.091 1.00 53.04 N ATOM 1155 CA LYS A 781 -2.091 -5.104 0.053 1.00 4.40 C ATOM 1156 C LYS A 781 -1.705 -4.195 1.217 1.00 31.53 C ATOM 1157 O LYS A 781 -1.513 -2.990 1.038 1.00 53.23 O ATOM 1158 CB LYS A 781 -3.597 -5.378 0.091 1.00 12.03 C ATOM 1159 CG LYS A 781 -4.118 -6.115 -1.131 1.00 73.43 C ATOM 1160 CD LYS A 781 -5.625 -6.318 -1.058 1.00 54.25 C ATOM 1161 CE LYS A 781 -6.371 -4.993 -1.007 1.00 15.15 C ATOM 1162 NZ LYS A 781 -7.844 -5.187 -0.970 1.00 2.30 N ATOM 0 H LYS A 781 -1.886 -7.169 0.359 1.00 53.04 H new ATOM 0 HA LYS A 781 -1.845 -4.599 -0.881 1.00 4.40 H new ATOM 0 HB2 LYS A 781 -3.828 -5.962 0.982 1.00 12.03 H new ATOM 0 HB3 LYS A 781 -4.127 -4.430 0.185 1.00 12.03 H new ATOM 0 HG2 LYS A 781 -3.869 -5.552 -2.031 1.00 73.43 H new ATOM 0 HG3 LYS A 781 -3.623 -7.083 -1.213 1.00 73.43 H new ATOM 0 HD2 LYS A 781 -5.957 -6.889 -1.925 1.00 54.25 H new ATOM 0 HD3 LYS A 781 -5.870 -6.908 -0.175 1.00 54.25 H new ATOM 0 HE2 LYS A 781 -6.056 -4.433 -0.126 1.00 15.15 H new ATOM 0 HE3 LYS A 781 -6.106 -4.393 -1.878 1.00 15.15 H new ATOM 0 HZ1 LYS A 781 -8.315 -4.261 -0.936 1.00 2.30 H new ATOM 0 HZ2 LYS A 781 -8.148 -5.699 -1.823 1.00 2.30 H new ATOM 0 HZ3 LYS A 781 -8.101 -5.737 -0.126 1.00 2.30 H new ATOM 1176 N GLN A 782 -1.587 -4.779 2.403 1.00 2.34 N ATOM 1177 CA GLN A 782 -1.290 -4.012 3.606 1.00 22.54 C ATOM 1178 C GLN A 782 0.108 -3.407 3.552 1.00 75.12 C ATOM 1179 O GLN A 782 0.282 -2.228 3.851 1.00 72.32 O ATOM 1180 CB GLN A 782 -1.449 -4.887 4.850 1.00 20.43 C ATOM 1181 CG GLN A 782 -2.894 -5.284 5.115 1.00 64.11 C ATOM 1182 CD GLN A 782 -3.052 -6.204 6.309 1.00 63.43 C ATOM 1183 OE1 GLN A 782 -4.069 -6.169 6.998 1.00 15.33 O ATOM 1184 NE2 GLN A 782 -2.060 -7.046 6.554 1.00 52.41 N ATOM 0 H GLN A 782 -1.693 -5.782 2.557 1.00 2.34 H new ATOM 0 HA GLN A 782 -2.004 -3.190 3.662 1.00 22.54 H new ATOM 0 HB2 GLN A 782 -0.846 -5.787 4.734 1.00 20.43 H new ATOM 0 HB3 GLN A 782 -1.060 -4.352 5.716 1.00 20.43 H new ATOM 0 HG2 GLN A 782 -3.487 -4.384 5.277 1.00 64.11 H new ATOM 0 HG3 GLN A 782 -3.297 -5.776 4.230 1.00 64.11 H new ATOM 0 HE21 GLN A 782 -1.231 -7.045 5.959 1.00 52.41 H new ATOM 0 HE22 GLN A 782 -2.124 -7.696 7.338 1.00 52.41 H new ATOM 1193 N GLU A 783 1.094 -4.205 3.149 1.00 14.32 N ATOM 1194 CA GLU A 783 2.470 -3.724 3.050 1.00 72.34 C ATOM 1195 C GLU A 783 2.596 -2.679 1.953 1.00 45.12 C ATOM 1196 O GLU A 783 3.385 -1.741 2.066 1.00 44.45 O ATOM 1197 CB GLU A 783 3.440 -4.877 2.784 1.00 72.31 C ATOM 1198 CG GLU A 783 3.485 -5.907 3.899 1.00 64.41 C ATOM 1199 CD GLU A 783 3.763 -5.290 5.253 1.00 41.53 C ATOM 1200 OE1 GLU A 783 4.933 -4.945 5.528 1.00 34.00 O ATOM 1201 OE2 GLU A 783 2.816 -5.169 6.059 1.00 71.25 O ATOM 0 H GLU A 783 0.967 -5.183 2.887 1.00 14.32 H new ATOM 0 HA GLU A 783 2.730 -3.268 4.005 1.00 72.34 H new ATOM 0 HB2 GLU A 783 3.156 -5.372 1.855 1.00 72.31 H new ATOM 0 HB3 GLU A 783 4.441 -4.471 2.636 1.00 72.31 H new ATOM 0 HG2 GLU A 783 2.534 -6.439 3.935 1.00 64.41 H new ATOM 0 HG3 GLU A 783 4.255 -6.645 3.675 1.00 64.41 H new ATOM 1208 N ALA A 784 1.816 -2.843 0.890 1.00 23.54 N ATOM 1209 CA ALA A 784 1.804 -1.873 -0.196 1.00 4.35 C ATOM 1210 C ALA A 784 1.369 -0.511 0.322 1.00 65.52 C ATOM 1211 O ALA A 784 2.055 0.487 0.124 1.00 13.22 O ATOM 1212 CB ALA A 784 0.887 -2.332 -1.321 1.00 43.30 C ATOM 0 H ALA A 784 1.187 -3.635 0.758 1.00 23.54 H new ATOM 0 HA ALA A 784 2.815 -1.790 -0.595 1.00 4.35 H new ATOM 0 HB1 ALA A 784 0.894 -1.592 -2.121 1.00 43.30 H new ATOM 0 HB2 ALA A 784 1.237 -3.289 -1.709 1.00 43.30 H new ATOM 0 HB3 ALA A 784 -0.128 -2.445 -0.940 1.00 43.30 H new ATOM 1218 N ALA A 785 0.239 -0.482 1.010 1.00 24.15 N ATOM 1219 CA ALA A 785 -0.280 0.754 1.569 1.00 2.13 C ATOM 1220 C ALA A 785 0.653 1.292 2.650 1.00 73.23 C ATOM 1221 O ALA A 785 0.875 2.498 2.751 1.00 64.15 O ATOM 1222 CB ALA A 785 -1.674 0.527 2.125 1.00 12.33 C ATOM 0 H ALA A 785 -0.337 -1.303 1.195 1.00 24.15 H new ATOM 0 HA ALA A 785 -0.338 1.499 0.776 1.00 2.13 H new ATOM 0 HB1 ALA A 785 -2.056 1.459 2.542 1.00 12.33 H new ATOM 0 HB2 ALA A 785 -2.334 0.190 1.326 1.00 12.33 H new ATOM 0 HB3 ALA A 785 -1.635 -0.231 2.907 1.00 12.33 H new ATOM 1228 N ASP A 786 1.209 0.382 3.443 1.00 22.44 N ATOM 1229 CA ASP A 786 2.144 0.734 4.509 1.00 75.31 C ATOM 1230 C ASP A 786 3.371 1.444 3.943 1.00 65.04 C ATOM 1231 O ASP A 786 3.740 2.530 4.393 1.00 44.43 O ATOM 1232 CB ASP A 786 2.562 -0.533 5.265 1.00 32.24 C ATOM 1233 CG ASP A 786 3.525 -0.264 6.404 1.00 32.40 C ATOM 1234 OD1 ASP A 786 3.084 0.236 7.461 1.00 62.03 O ATOM 1235 OD2 ASP A 786 4.720 -0.591 6.266 1.00 62.44 O ATOM 0 H ASP A 786 1.026 -0.618 3.366 1.00 22.44 H new ATOM 0 HA ASP A 786 1.649 1.417 5.199 1.00 75.31 H new ATOM 0 HB2 ASP A 786 1.671 -1.022 5.660 1.00 32.24 H new ATOM 0 HB3 ASP A 786 3.024 -1.229 4.565 1.00 32.24 H new ATOM 1240 N ALA A 787 3.981 0.838 2.934 1.00 33.34 N ATOM 1241 CA ALA A 787 5.155 1.416 2.294 1.00 3.13 C ATOM 1242 C ALA A 787 4.794 2.689 1.535 1.00 43.43 C ATOM 1243 O ALA A 787 5.572 3.640 1.502 1.00 43.00 O ATOM 1244 CB ALA A 787 5.809 0.407 1.363 1.00 3.10 C ATOM 0 H ALA A 787 3.682 -0.054 2.541 1.00 33.34 H new ATOM 0 HA ALA A 787 5.868 1.679 3.075 1.00 3.13 H new ATOM 0 HB1 ALA A 787 6.684 0.858 0.895 1.00 3.10 H new ATOM 0 HB2 ALA A 787 6.114 -0.470 1.934 1.00 3.10 H new ATOM 0 HB3 ALA A 787 5.098 0.109 0.592 1.00 3.10 H new ATOM 1250 N ALA A 788 3.604 2.704 0.938 1.00 32.35 N ATOM 1251 CA ALA A 788 3.135 3.862 0.186 1.00 32.41 C ATOM 1252 C ALA A 788 3.035 5.090 1.080 1.00 11.43 C ATOM 1253 O ALA A 788 3.411 6.191 0.677 1.00 23.00 O ATOM 1254 CB ALA A 788 1.791 3.574 -0.462 1.00 31.53 C ATOM 0 H ALA A 788 2.947 1.924 0.962 1.00 32.35 H new ATOM 0 HA ALA A 788 3.864 4.067 -0.598 1.00 32.41 H new ATOM 0 HB1 ALA A 788 1.460 4.451 -1.018 1.00 31.53 H new ATOM 0 HB2 ALA A 788 1.889 2.729 -1.143 1.00 31.53 H new ATOM 0 HB3 ALA A 788 1.059 3.335 0.309 1.00 31.53 H new ATOM 1260 N LEU A 789 2.544 4.895 2.299 1.00 72.11 N ATOM 1261 CA LEU A 789 2.429 5.990 3.247 1.00 43.24 C ATOM 1262 C LEU A 789 3.808 6.522 3.605 1.00 5.30 C ATOM 1263 O LEU A 789 4.005 7.730 3.697 1.00 34.25 O ATOM 1264 CB LEU A 789 1.683 5.549 4.509 1.00 31.53 C ATOM 1265 CG LEU A 789 0.252 5.058 4.280 1.00 41.41 C ATOM 1266 CD1 LEU A 789 -0.415 4.719 5.603 1.00 53.22 C ATOM 1267 CD2 LEU A 789 -0.556 6.102 3.529 1.00 31.32 C ATOM 0 H LEU A 789 2.222 3.993 2.650 1.00 72.11 H new ATOM 0 HA LEU A 789 1.854 6.788 2.777 1.00 43.24 H new ATOM 0 HB2 LEU A 789 2.252 4.752 4.988 1.00 31.53 H new ATOM 0 HB3 LEU A 789 1.656 6.386 5.207 1.00 31.53 H new ATOM 0 HG LEU A 789 0.293 4.153 3.674 1.00 41.41 H new ATOM 0 HD11 LEU A 789 -1.432 4.372 5.419 1.00 53.22 H new ATOM 0 HD12 LEU A 789 0.151 3.935 6.105 1.00 53.22 H new ATOM 0 HD13 LEU A 789 -0.443 5.607 6.234 1.00 53.22 H new ATOM 0 HD21 LEU A 789 -1.571 5.735 3.375 1.00 31.32 H new ATOM 0 HD22 LEU A 789 -0.587 7.024 4.109 1.00 31.32 H new ATOM 0 HD23 LEU A 789 -0.090 6.297 2.563 1.00 31.32 H new ATOM 1279 N ARG A 790 4.769 5.615 3.777 1.00 61.50 N ATOM 1280 CA ARG A 790 6.143 5.996 4.072 1.00 52.02 C ATOM 1281 C ARG A 790 6.727 6.862 2.959 1.00 3.11 C ATOM 1282 O ARG A 790 7.519 7.767 3.220 1.00 22.14 O ATOM 1283 CB ARG A 790 6.988 4.747 4.257 1.00 30.21 C ATOM 1284 CG ARG A 790 6.522 3.871 5.402 1.00 0.05 C ATOM 1285 CD ARG A 790 7.224 2.534 5.363 1.00 1.54 C ATOM 1286 NE ARG A 790 6.974 1.731 6.554 1.00 13.20 N ATOM 1287 CZ ARG A 790 7.708 0.680 6.908 1.00 40.21 C ATOM 1288 NH1 ARG A 790 8.738 0.300 6.162 1.00 11.31 N ATOM 1289 NH2 ARG A 790 7.409 0.008 8.007 1.00 5.21 N ATOM 0 H ARG A 790 4.617 4.608 3.716 1.00 61.50 H new ATOM 0 HA ARG A 790 6.149 6.582 4.991 1.00 52.02 H new ATOM 0 HB2 ARG A 790 6.972 4.166 3.335 1.00 30.21 H new ATOM 0 HB3 ARG A 790 8.023 5.040 4.431 1.00 30.21 H new ATOM 0 HG2 ARG A 790 6.723 4.366 6.352 1.00 0.05 H new ATOM 0 HG3 ARG A 790 5.444 3.724 5.340 1.00 0.05 H new ATOM 0 HD2 ARG A 790 6.896 1.982 4.482 1.00 1.54 H new ATOM 0 HD3 ARG A 790 8.297 2.695 5.257 1.00 1.54 H new ATOM 0 HE ARG A 790 6.189 1.991 7.151 1.00 13.20 H new ATOM 0 HH11 ARG A 790 8.970 0.815 5.313 1.00 11.31 H new ATOM 0 HH12 ARG A 790 9.298 -0.507 6.438 1.00 11.31 H new ATOM 0 HH21 ARG A 790 6.617 0.296 8.581 1.00 5.21 H new ATOM 0 HH22 ARG A 790 7.971 -0.798 8.280 1.00 5.21 H new ATOM 1303 N VAL A 791 6.336 6.577 1.721 1.00 32.10 N ATOM 1304 CA VAL A 791 6.743 7.390 0.579 1.00 3.42 C ATOM 1305 C VAL A 791 6.225 8.814 0.745 1.00 65.42 C ATOM 1306 O VAL A 791 6.977 9.782 0.646 1.00 25.33 O ATOM 1307 CB VAL A 791 6.209 6.809 -0.750 1.00 23.30 C ATOM 1308 CG1 VAL A 791 6.640 7.663 -1.933 1.00 32.34 C ATOM 1309 CG2 VAL A 791 6.668 5.373 -0.936 1.00 44.31 C ATOM 0 H VAL A 791 5.736 5.787 1.482 1.00 32.10 H new ATOM 0 HA VAL A 791 7.832 7.389 0.544 1.00 3.42 H new ATOM 0 HB VAL A 791 5.120 6.818 -0.703 1.00 23.30 H new ATOM 0 HG11 VAL A 791 6.250 7.231 -2.855 1.00 32.34 H new ATOM 0 HG12 VAL A 791 6.250 8.674 -1.813 1.00 32.34 H new ATOM 0 HG13 VAL A 791 7.728 7.697 -1.980 1.00 32.34 H new ATOM 0 HG21 VAL A 791 6.280 4.986 -1.878 1.00 44.31 H new ATOM 0 HG22 VAL A 791 7.757 5.338 -0.951 1.00 44.31 H new ATOM 0 HG23 VAL A 791 6.297 4.763 -0.113 1.00 44.31 H new ATOM 1319 N LEU A 792 4.935 8.920 1.028 1.00 43.22 N ATOM 1320 CA LEU A 792 4.274 10.208 1.200 1.00 23.13 C ATOM 1321 C LEU A 792 4.876 10.971 2.373 1.00 5.10 C ATOM 1322 O LEU A 792 5.202 12.156 2.262 1.00 2.44 O ATOM 1323 CB LEU A 792 2.782 9.984 1.439 1.00 4.14 C ATOM 1324 CG LEU A 792 2.124 9.009 0.464 1.00 64.24 C ATOM 1325 CD1 LEU A 792 0.688 8.732 0.870 1.00 45.23 C ATOM 1326 CD2 LEU A 792 2.189 9.550 -0.954 1.00 53.21 C ATOM 0 H LEU A 792 4.316 8.117 1.145 1.00 43.22 H new ATOM 0 HA LEU A 792 4.417 10.800 0.296 1.00 23.13 H new ATOM 0 HB2 LEU A 792 2.641 9.613 2.454 1.00 4.14 H new ATOM 0 HB3 LEU A 792 2.269 10.943 1.376 1.00 4.14 H new ATOM 0 HG LEU A 792 2.672 8.067 0.496 1.00 64.24 H new ATOM 0 HD11 LEU A 792 0.238 8.036 0.163 1.00 45.23 H new ATOM 0 HD12 LEU A 792 0.670 8.297 1.869 1.00 45.23 H new ATOM 0 HD13 LEU A 792 0.124 9.664 0.870 1.00 45.23 H new ATOM 0 HD21 LEU A 792 1.716 8.843 -1.635 1.00 53.21 H new ATOM 0 HD22 LEU A 792 1.667 10.506 -1.003 1.00 53.21 H new ATOM 0 HD23 LEU A 792 3.231 9.690 -1.243 1.00 53.21 H new ATOM 1338 N ILE A 793 5.021 10.275 3.492 1.00 70.40 N ATOM 1339 CA ILE A 793 5.605 10.847 4.696 1.00 55.33 C ATOM 1340 C ILE A 793 7.033 11.323 4.436 1.00 74.45 C ATOM 1341 O ILE A 793 7.404 12.432 4.814 1.00 75.23 O ATOM 1342 CB ILE A 793 5.593 9.815 5.849 1.00 53.42 C ATOM 1343 CG1 ILE A 793 4.148 9.442 6.194 1.00 55.40 C ATOM 1344 CG2 ILE A 793 6.316 10.359 7.077 1.00 61.14 C ATOM 1345 CD1 ILE A 793 4.024 8.252 7.122 1.00 14.42 C ATOM 0 H ILE A 793 4.738 9.300 3.590 1.00 70.40 H new ATOM 0 HA ILE A 793 5.001 11.707 4.986 1.00 55.33 H new ATOM 0 HB ILE A 793 6.123 8.920 5.522 1.00 53.42 H new ATOM 0 HG12 ILE A 793 3.662 10.302 6.655 1.00 55.40 H new ATOM 0 HG13 ILE A 793 3.609 9.228 5.271 1.00 55.40 H new ATOM 0 HG21 ILE A 793 6.293 9.614 7.872 1.00 61.14 H new ATOM 0 HG22 ILE A 793 7.351 10.584 6.820 1.00 61.14 H new ATOM 0 HG23 ILE A 793 5.821 11.269 7.417 1.00 61.14 H new ATOM 0 HD11 ILE A 793 2.971 8.052 7.318 1.00 14.42 H new ATOM 0 HD12 ILE A 793 4.479 7.378 6.656 1.00 14.42 H new ATOM 0 HD13 ILE A 793 4.533 8.468 8.061 1.00 14.42 H new ATOM 1357 N GLY A 794 7.816 10.489 3.760 1.00 21.42 N ATOM 1358 CA GLY A 794 9.193 10.837 3.464 1.00 3.34 C ATOM 1359 C GLY A 794 9.308 11.978 2.472 1.00 41.41 C ATOM 1360 O GLY A 794 10.233 12.790 2.554 1.00 52.45 O ATOM 0 H GLY A 794 7.521 9.577 3.411 1.00 21.42 H new ATOM 0 HA2 GLY A 794 9.701 11.112 4.388 1.00 3.34 H new ATOM 0 HA3 GLY A 794 9.707 9.962 3.066 1.00 3.34 H new ATOM 1364 N GLU A 795 8.372 12.043 1.536 1.00 14.53 N ATOM 1365 CA GLU A 795 8.371 13.094 0.529 1.00 74.11 C ATOM 1366 C GLU A 795 8.009 14.439 1.155 1.00 74.00 C ATOM 1367 O GLU A 795 8.614 15.465 0.843 1.00 1.50 O ATOM 1368 CB GLU A 795 7.395 12.746 -0.601 1.00 32.14 C ATOM 1369 CG GLU A 795 7.437 13.715 -1.772 1.00 1.45 C ATOM 1370 CD GLU A 795 8.835 13.907 -2.325 1.00 41.01 C ATOM 1371 OE1 GLU A 795 9.479 12.907 -2.700 1.00 4.40 O ATOM 1372 OE2 GLU A 795 9.295 15.066 -2.399 1.00 72.12 O ATOM 0 H GLU A 795 7.602 11.379 1.453 1.00 14.53 H new ATOM 0 HA GLU A 795 9.374 13.172 0.110 1.00 74.11 H new ATOM 0 HB2 GLU A 795 7.618 11.743 -0.964 1.00 32.14 H new ATOM 0 HB3 GLU A 795 6.382 12.722 -0.198 1.00 32.14 H new ATOM 0 HG2 GLU A 795 6.785 13.348 -2.565 1.00 1.45 H new ATOM 0 HG3 GLU A 795 7.041 14.680 -1.454 1.00 1.45 H new ATOM 1379 N ASN A 796 7.036 14.436 2.055 1.00 22.30 N ATOM 1380 CA ASN A 796 6.629 15.670 2.719 1.00 51.21 C ATOM 1381 C ASN A 796 7.611 16.016 3.836 1.00 42.11 C ATOM 1382 O ASN A 796 7.682 17.159 4.281 1.00 53.31 O ATOM 1383 CB ASN A 796 5.209 15.544 3.273 1.00 3.01 C ATOM 1384 CG ASN A 796 4.596 16.894 3.608 1.00 54.12 C ATOM 1385 OD1 ASN A 796 3.971 17.532 2.758 1.00 53.45 O ATOM 1386 ND2 ASN A 796 4.759 17.336 4.845 1.00 40.21 N ATOM 0 H ASN A 796 6.518 13.605 2.341 1.00 22.30 H new ATOM 0 HA ASN A 796 6.636 16.476 1.985 1.00 51.21 H new ATOM 0 HB2 ASN A 796 4.581 15.034 2.543 1.00 3.01 H new ATOM 0 HB3 ASN A 796 5.225 14.923 4.169 1.00 3.01 H new ATOM 0 HD21 ASN A 796 4.361 18.233 5.123 1.00 40.21 H new ATOM 0 HD22 ASN A 796 5.283 16.779 5.521 1.00 40.21 H new