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 775 HIS : no HE2:sc= 0.936 K(o=0.38,f=-6.4!) USER MOD Set 1.2: A 779 GLN : amide:sc= -0.553 K(o=0.38,f=-2.7!) USER MOD Set 2.1: A 737 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 738 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.21) USER MOD Single : A 722 TYR OH : rot -102:sc= 1.22 USER MOD Single : A 724 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 725 THR OG1 : rot 79:sc= 0.462 USER MOD Single : A 726 ASN : amide:sc= -0.0472 K(o=-0.047,f=-3.3) USER MOD Single : A 734 TYR OH : rot 180:sc= 0 USER MOD Single : A 745 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.345) USER MOD Single : A 749 GLN :FLIP amide:sc= -0.156 F(o=-0.88,f=-0.16) USER MOD Single : A 750 SER OG : rot 180:sc= 0.233 USER MOD Single : A 754 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-2.7) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 760 TYR OH : rot 180:sc= 0 USER MOD Single : A 761 GLN : amide:sc= -0.604 X(o=-0.6,f=-1) USER MOD Single : A 763 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.14) USER MOD Single : A 773 CYS SG : rot 41:sc= -0.557 USER MOD Single : A 776 SER OG : rot 180:sc=-0.00596 USER MOD Single : A 777 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 778 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 781 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00562) USER MOD Single : A 782 GLN : amide:sc= 0.535 K(o=0.53,f=0) USER MOD Single : A 796 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.439 14.728 8.022 1.00 62.10 N ATOM 148 CA ILE A 716 1.245 13.533 7.826 1.00 74.20 C ATOM 149 C ILE A 716 1.211 12.638 9.059 1.00 11.21 C ATOM 150 O ILE A 716 1.365 11.420 8.958 1.00 71.32 O ATOM 151 CB ILE A 716 2.695 13.915 7.459 1.00 2.23 C ATOM 152 CG1 ILE A 716 2.701 14.705 6.147 1.00 62.44 C ATOM 153 CG2 ILE A 716 3.581 12.685 7.347 1.00 75.41 C ATOM 154 CD1 ILE A 716 2.058 13.972 4.983 1.00 73.21 C ATOM 0 HA ILE A 716 0.819 12.968 6.997 1.00 74.20 H new ATOM 0 HB ILE A 716 3.101 14.538 8.256 1.00 2.23 H new ATOM 0 HG12 ILE A 716 2.180 15.650 6.301 1.00 62.44 H new ATOM 0 HG13 ILE A 716 3.731 14.948 5.886 1.00 62.44 H new ATOM 0 HG21 ILE A 716 4.595 12.989 7.087 1.00 75.41 H new ATOM 0 HG22 ILE A 716 3.593 12.157 8.301 1.00 75.41 H new ATOM 0 HG23 ILE A 716 3.191 12.025 6.572 1.00 75.41 H new ATOM 0 HD11 ILE A 716 2.102 14.597 4.091 1.00 73.21 H new ATOM 0 HD12 ILE A 716 2.593 13.040 4.800 1.00 73.21 H new ATOM 0 HD13 ILE A 716 1.017 13.752 5.222 1.00 73.21 H new ATOM 166 N GLY A 717 0.972 13.246 10.217 1.00 74.34 N ATOM 167 CA GLY A 717 0.811 12.479 11.438 1.00 14.41 C ATOM 168 C GLY A 717 -0.331 11.487 11.329 1.00 52.10 C ATOM 169 O GLY A 717 -0.302 10.422 11.949 1.00 44.35 O ATOM 0 H GLY A 717 0.887 14.256 10.331 1.00 74.34 H new ATOM 0 HA2 GLY A 717 1.736 11.946 11.658 1.00 14.41 H new ATOM 0 HA3 GLY A 717 0.627 13.156 12.272 1.00 14.41 H new ATOM 173 N GLU A 718 -1.328 11.826 10.516 1.00 4.20 N ATOM 174 CA GLU A 718 -2.467 10.948 10.294 1.00 53.20 C ATOM 175 C GLU A 718 -2.056 9.724 9.487 1.00 54.41 C ATOM 176 O GLU A 718 -2.479 8.616 9.776 1.00 45.24 O ATOM 177 CB GLU A 718 -3.597 11.694 9.587 1.00 54.04 C ATOM 178 CG GLU A 718 -4.251 12.753 10.455 1.00 32.04 C ATOM 179 CD GLU A 718 -4.844 12.173 11.721 1.00 5.11 C ATOM 180 OE1 GLU A 718 -5.905 11.519 11.639 1.00 35.42 O ATOM 181 OE2 GLU A 718 -4.253 12.359 12.802 1.00 65.22 O ATOM 0 H GLU A 718 -1.368 12.705 10.000 1.00 4.20 H new ATOM 0 HA GLU A 718 -2.829 10.615 11.267 1.00 53.20 H new ATOM 0 HB2 GLU A 718 -3.204 12.164 8.685 1.00 54.04 H new ATOM 0 HB3 GLU A 718 -4.353 10.977 9.269 1.00 54.04 H new ATOM 0 HG2 GLU A 718 -3.513 13.512 10.717 1.00 32.04 H new ATOM 0 HG3 GLU A 718 -5.034 13.253 9.886 1.00 32.04 H new ATOM 188 N LEU A 719 -1.213 9.918 8.488 1.00 64.32 N ATOM 189 CA LEU A 719 -0.724 8.796 7.695 1.00 62.53 C ATOM 190 C LEU A 719 0.112 7.863 8.572 1.00 62.33 C ATOM 191 O LEU A 719 0.187 6.660 8.329 1.00 41.23 O ATOM 192 CB LEU A 719 0.102 9.278 6.495 1.00 31.23 C ATOM 193 CG LEU A 719 -0.687 9.956 5.361 1.00 65.14 C ATOM 194 CD1 LEU A 719 -1.920 9.143 4.994 1.00 11.33 C ATOM 195 CD2 LEU A 719 -1.076 11.378 5.733 1.00 34.43 C ATOM 0 H LEU A 719 -0.854 10.830 8.206 1.00 64.32 H new ATOM 0 HA LEU A 719 -1.586 8.252 7.310 1.00 62.53 H new ATOM 0 HB2 LEU A 719 0.855 9.978 6.856 1.00 31.23 H new ATOM 0 HB3 LEU A 719 0.635 8.423 6.079 1.00 31.23 H new ATOM 0 HG LEU A 719 -0.035 10.003 4.489 1.00 65.14 H new ATOM 0 HD11 LEU A 719 -2.460 9.644 4.190 1.00 11.33 H new ATOM 0 HD12 LEU A 719 -1.616 8.150 4.663 1.00 11.33 H new ATOM 0 HD13 LEU A 719 -2.569 9.052 5.865 1.00 11.33 H new ATOM 0 HD21 LEU A 719 -1.632 11.830 4.912 1.00 34.43 H new ATOM 0 HD22 LEU A 719 -1.699 11.363 6.628 1.00 34.43 H new ATOM 0 HD23 LEU A 719 -0.177 11.962 5.927 1.00 34.43 H new ATOM 207 N VAL A 720 0.707 8.430 9.616 1.00 4.42 N ATOM 208 CA VAL A 720 1.545 7.672 10.538 1.00 43.45 C ATOM 209 C VAL A 720 0.700 6.825 11.490 1.00 4.22 C ATOM 210 O VAL A 720 1.066 5.694 11.815 1.00 74.31 O ATOM 211 CB VAL A 720 2.468 8.609 11.352 1.00 30.30 C ATOM 212 CG1 VAL A 720 3.278 7.829 12.378 1.00 22.02 C ATOM 213 CG2 VAL A 720 3.396 9.381 10.428 1.00 43.42 C ATOM 0 H VAL A 720 0.623 9.420 9.846 1.00 4.42 H new ATOM 0 HA VAL A 720 2.163 7.006 9.936 1.00 43.45 H new ATOM 0 HB VAL A 720 1.835 9.317 11.886 1.00 30.30 H new ATOM 0 HG11 VAL A 720 3.917 8.515 12.934 1.00 22.02 H new ATOM 0 HG12 VAL A 720 2.602 7.323 13.067 1.00 22.02 H new ATOM 0 HG13 VAL A 720 3.896 7.090 11.868 1.00 22.02 H new ATOM 0 HG21 VAL A 720 4.037 10.035 11.019 1.00 43.42 H new ATOM 0 HG22 VAL A 720 4.013 8.681 9.864 1.00 43.42 H new ATOM 0 HG23 VAL A 720 2.804 9.982 9.737 1.00 43.42 H new ATOM 223 N ARG A 721 -0.446 7.349 11.919 1.00 12.44 N ATOM 224 CA ARG A 721 -1.325 6.593 12.811 1.00 31.22 C ATOM 225 C ARG A 721 -1.916 5.400 12.064 1.00 64.52 C ATOM 226 O ARG A 721 -2.306 4.398 12.664 1.00 50.32 O ATOM 227 CB ARG A 721 -2.436 7.480 13.393 1.00 0.22 C ATOM 228 CG ARG A 721 -3.403 8.027 12.362 1.00 61.21 C ATOM 229 CD ARG A 721 -4.432 8.959 12.977 1.00 0.20 C ATOM 230 NE ARG A 721 -5.462 8.235 13.718 1.00 34.32 N ATOM 231 CZ ARG A 721 -6.760 8.535 13.672 1.00 2.41 C ATOM 232 NH1 ARG A 721 -7.185 9.592 12.989 1.00 71.12 N ATOM 233 NH2 ARG A 721 -7.630 7.788 14.334 1.00 42.12 N ATOM 0 H ARG A 721 -0.785 8.278 11.669 1.00 12.44 H new ATOM 0 HA ARG A 721 -0.732 6.229 13.650 1.00 31.22 H new ATOM 0 HB2 ARG A 721 -2.996 6.904 14.129 1.00 0.22 H new ATOM 0 HB3 ARG A 721 -1.978 8.315 13.923 1.00 0.22 H new ATOM 0 HG2 ARG A 721 -2.846 8.561 11.592 1.00 61.21 H new ATOM 0 HG3 ARG A 721 -3.914 7.199 11.870 1.00 61.21 H new ATOM 0 HD2 ARG A 721 -3.931 9.659 13.645 1.00 0.20 H new ATOM 0 HD3 ARG A 721 -4.901 9.549 12.190 1.00 0.20 H new ATOM 0 HE ARG A 721 -5.171 7.454 14.305 1.00 34.32 H new ATOM 0 HH11 ARG A 721 -6.516 10.182 12.494 1.00 71.12 H new ATOM 0 HH12 ARG A 721 -8.180 9.814 12.960 1.00 71.12 H new ATOM 0 HH21 ARG A 721 -7.306 6.987 14.876 1.00 42.12 H new ATOM 0 HH22 ARG A 721 -8.624 8.014 14.302 1.00 42.12 H new ATOM 247 N TYR A 722 -1.949 5.502 10.742 1.00 44.02 N ATOM 248 CA TYR A 722 -2.398 4.404 9.909 1.00 71.14 C ATOM 249 C TYR A 722 -1.315 3.346 9.789 1.00 31.32 C ATOM 250 O TYR A 722 -1.612 2.164 9.684 1.00 31.13 O ATOM 251 CB TYR A 722 -2.827 4.910 8.536 1.00 5.33 C ATOM 252 CG TYR A 722 -4.138 5.652 8.585 1.00 45.21 C ATOM 253 CD1 TYR A 722 -5.285 5.025 9.049 1.00 73.45 C ATOM 254 CD2 TYR A 722 -4.227 6.975 8.186 1.00 21.13 C ATOM 255 CE1 TYR A 722 -6.486 5.699 9.115 1.00 42.45 C ATOM 256 CE2 TYR A 722 -5.426 7.656 8.246 1.00 24.32 C ATOM 257 CZ TYR A 722 -6.552 7.014 8.714 1.00 33.30 C ATOM 258 OH TYR A 722 -7.743 7.693 8.787 1.00 31.34 O ATOM 0 H TYR A 722 -1.669 6.337 10.227 1.00 44.02 H new ATOM 0 HA TYR A 722 -3.266 3.945 10.383 1.00 71.14 H new ATOM 0 HB2 TYR A 722 -2.055 5.567 8.136 1.00 5.33 H new ATOM 0 HB3 TYR A 722 -2.915 4.067 7.851 1.00 5.33 H new ATOM 0 HD1 TYR A 722 -5.237 3.993 9.363 1.00 73.45 H new ATOM 0 HD2 TYR A 722 -3.345 7.481 7.822 1.00 21.13 H new ATOM 0 HE1 TYR A 722 -7.370 5.198 9.479 1.00 42.45 H new ATOM 0 HE2 TYR A 722 -5.481 8.687 7.928 1.00 24.32 H new ATOM 0 HH TYR A 722 -8.144 7.747 7.894 1.00 31.34 H new ATOM 268 N LEU A 723 -0.062 3.770 9.842 1.00 25.12 N ATOM 269 CA LEU A 723 1.055 2.831 9.851 1.00 62.21 C ATOM 270 C LEU A 723 0.953 1.916 11.064 1.00 71.14 C ATOM 271 O LEU A 723 1.387 0.762 11.034 1.00 35.45 O ATOM 272 CB LEU A 723 2.385 3.583 9.894 1.00 71.13 C ATOM 273 CG LEU A 723 2.632 4.533 8.729 1.00 4.13 C ATOM 274 CD1 LEU A 723 3.920 5.307 8.944 1.00 45.12 C ATOM 275 CD2 LEU A 723 2.678 3.765 7.419 1.00 4.33 C ATOM 0 H LEU A 723 0.209 4.753 9.879 1.00 25.12 H new ATOM 0 HA LEU A 723 1.013 2.235 8.939 1.00 62.21 H new ATOM 0 HB2 LEU A 723 2.432 4.152 10.822 1.00 71.13 H new ATOM 0 HB3 LEU A 723 3.195 2.854 9.926 1.00 71.13 H new ATOM 0 HG LEU A 723 1.808 5.245 8.678 1.00 4.13 H new ATOM 0 HD11 LEU A 723 4.084 5.982 8.104 1.00 45.12 H new ATOM 0 HD12 LEU A 723 3.848 5.885 9.865 1.00 45.12 H new ATOM 0 HD13 LEU A 723 4.755 4.610 9.018 1.00 45.12 H new ATOM 0 HD21 LEU A 723 2.855 4.458 6.597 1.00 4.33 H new ATOM 0 HD22 LEU A 723 3.484 3.032 7.455 1.00 4.33 H new ATOM 0 HD23 LEU A 723 1.728 3.253 7.264 1.00 4.33 H new ATOM 287 N ASN A 724 0.378 2.450 12.130 1.00 24.13 N ATOM 288 CA ASN A 724 0.184 1.696 13.359 1.00 34.11 C ATOM 289 C ASN A 724 -1.143 0.931 13.339 1.00 44.00 C ATOM 290 O ASN A 724 -1.213 -0.212 13.786 1.00 55.44 O ATOM 291 CB ASN A 724 0.248 2.644 14.562 1.00 3.52 C ATOM 292 CG ASN A 724 -0.003 1.944 15.881 1.00 72.43 C ATOM 293 OD1 ASN A 724 0.900 1.334 16.455 1.00 3.22 O ATOM 294 ND2 ASN A 724 -1.219 2.053 16.390 1.00 54.43 N ATOM 0 H ASN A 724 0.035 3.410 12.169 1.00 24.13 H new ATOM 0 HA ASN A 724 0.983 0.959 13.443 1.00 34.11 H new ATOM 0 HB2 ASN A 724 1.228 3.120 14.590 1.00 3.52 H new ATOM 0 HB3 ASN A 724 -0.488 3.437 14.432 1.00 3.52 H new ATOM 0 HD21 ASN A 724 -1.436 1.623 17.289 1.00 54.43 H new ATOM 0 HD22 ASN A 724 -1.940 2.567 15.883 1.00 54.43 H new ATOM 301 N THR A 725 -2.188 1.559 12.805 1.00 71.21 N ATOM 302 CA THR A 725 -3.511 0.946 12.775 1.00 5.44 C ATOM 303 C THR A 725 -3.731 0.131 11.495 1.00 64.11 C ATOM 304 O THR A 725 -3.679 -1.100 11.515 1.00 42.03 O ATOM 305 CB THR A 725 -4.617 2.012 12.892 1.00 60.41 C ATOM 306 OG1 THR A 725 -4.384 2.837 14.040 1.00 61.30 O ATOM 307 CG2 THR A 725 -5.991 1.368 13.007 1.00 21.13 C ATOM 0 H THR A 725 -2.143 2.489 12.389 1.00 71.21 H new ATOM 0 HA THR A 725 -3.564 0.273 13.631 1.00 5.44 H new ATOM 0 HB THR A 725 -4.592 2.621 11.988 1.00 60.41 H new ATOM 0 HG1 THR A 725 -3.694 3.501 13.831 1.00 61.30 H new ATOM 0 HG21 THR A 725 -6.751 2.145 13.088 1.00 21.13 H new ATOM 0 HG22 THR A 725 -6.184 0.762 12.122 1.00 21.13 H new ATOM 0 HG23 THR A 725 -6.023 0.735 13.894 1.00 21.13 H new ATOM 315 N ASN A 726 -3.977 0.822 10.389 1.00 71.34 N ATOM 316 CA ASN A 726 -4.226 0.170 9.109 1.00 1.23 C ATOM 317 C ASN A 726 -3.775 1.064 7.959 1.00 44.40 C ATOM 318 O ASN A 726 -4.430 2.062 7.639 1.00 55.31 O ATOM 319 CB ASN A 726 -5.709 -0.180 8.955 1.00 1.03 C ATOM 320 CG ASN A 726 -6.044 -0.721 7.574 1.00 23.25 C ATOM 321 OD1 ASN A 726 -5.200 -1.304 6.893 1.00 63.41 O ATOM 322 ND2 ASN A 726 -7.287 -0.538 7.156 1.00 61.54 N ATOM 0 H ASN A 726 -4.010 1.841 10.353 1.00 71.34 H new ATOM 0 HA ASN A 726 -3.650 -0.755 9.082 1.00 1.23 H new ATOM 0 HB2 ASN A 726 -5.983 -0.920 9.707 1.00 1.03 H new ATOM 0 HB3 ASN A 726 -6.310 0.709 9.148 1.00 1.03 H new ATOM 0 HD21 ASN A 726 -7.574 -0.885 6.241 1.00 61.54 H new ATOM 0 HD22 ASN A 726 -7.958 -0.050 7.749 1.00 61.54 H new ATOM 329 N PRO A 727 -2.642 0.715 7.334 1.00 74.42 N ATOM 330 CA PRO A 727 -2.061 1.492 6.237 1.00 43.00 C ATOM 331 C PRO A 727 -2.996 1.598 5.040 1.00 31.32 C ATOM 332 O PRO A 727 -3.012 2.611 4.341 1.00 41.04 O ATOM 333 CB PRO A 727 -0.801 0.706 5.857 1.00 35.43 C ATOM 334 CG PRO A 727 -1.000 -0.657 6.424 1.00 53.32 C ATOM 335 CD PRO A 727 -1.828 -0.469 7.660 1.00 63.14 C ATOM 0 HA PRO A 727 -1.862 2.520 6.538 1.00 43.00 H new ATOM 0 HB2 PRO A 727 -0.674 0.667 4.775 1.00 35.43 H new ATOM 0 HB3 PRO A 727 0.093 1.175 6.267 1.00 35.43 H new ATOM 0 HG2 PRO A 727 -1.505 -1.307 5.710 1.00 53.32 H new ATOM 0 HG3 PRO A 727 -0.045 -1.125 6.661 1.00 53.32 H new ATOM 0 HD2 PRO A 727 -2.448 -1.341 7.867 1.00 63.14 H new ATOM 0 HD3 PRO A 727 -1.207 -0.303 8.541 1.00 63.14 H new ATOM 343 N VAL A 728 -3.790 0.552 4.823 1.00 5.34 N ATOM 344 CA VAL A 728 -4.697 0.502 3.684 1.00 21.21 C ATOM 345 C VAL A 728 -5.716 1.630 3.765 1.00 22.30 C ATOM 346 O VAL A 728 -5.921 2.364 2.797 1.00 33.12 O ATOM 347 CB VAL A 728 -5.431 -0.855 3.602 1.00 22.51 C ATOM 348 CG1 VAL A 728 -6.297 -0.927 2.353 1.00 12.42 C ATOM 349 CG2 VAL A 728 -4.437 -2.004 3.630 1.00 52.41 C ATOM 0 H VAL A 728 -3.822 -0.272 5.423 1.00 5.34 H new ATOM 0 HA VAL A 728 -4.095 0.621 2.783 1.00 21.21 H new ATOM 0 HB VAL A 728 -6.081 -0.942 4.472 1.00 22.51 H new ATOM 0 HG11 VAL A 728 -6.804 -1.891 2.317 1.00 12.42 H new ATOM 0 HG12 VAL A 728 -7.038 -0.128 2.378 1.00 12.42 H new ATOM 0 HG13 VAL A 728 -5.670 -0.813 1.469 1.00 12.42 H new ATOM 0 HG21 VAL A 728 -4.974 -2.951 3.571 1.00 52.41 H new ATOM 0 HG22 VAL A 728 -3.758 -1.919 2.782 1.00 52.41 H new ATOM 0 HG23 VAL A 728 -3.865 -1.968 4.557 1.00 52.41 H new ATOM 359 N GLY A 729 -6.324 1.786 4.937 1.00 34.31 N ATOM 360 CA GLY A 729 -7.313 2.827 5.130 1.00 72.22 C ATOM 361 C GLY A 729 -6.724 4.213 4.966 1.00 1.31 C ATOM 362 O GLY A 729 -7.399 5.132 4.504 1.00 42.03 O ATOM 0 H GLY A 729 -6.147 1.207 5.758 1.00 34.31 H new ATOM 0 HA2 GLY A 729 -8.125 2.692 4.415 1.00 72.22 H new ATOM 0 HA3 GLY A 729 -7.747 2.734 6.126 1.00 72.22 H new ATOM 366 N GLY A 730 -5.460 4.358 5.342 1.00 25.14 N ATOM 367 CA GLY A 730 -4.790 5.637 5.212 1.00 22.23 C ATOM 368 C GLY A 730 -4.440 5.964 3.777 1.00 71.45 C ATOM 369 O GLY A 730 -4.656 7.084 3.320 1.00 44.03 O ATOM 0 H GLY A 730 -4.886 3.612 5.735 1.00 25.14 H new ATOM 0 HA2 GLY A 730 -5.431 6.422 5.614 1.00 22.23 H new ATOM 0 HA3 GLY A 730 -3.880 5.630 5.812 1.00 22.23 H new ATOM 373 N LEU A 731 -3.910 4.981 3.062 1.00 72.40 N ATOM 374 CA LEU A 731 -3.522 5.170 1.670 1.00 53.12 C ATOM 375 C LEU A 731 -4.753 5.473 0.817 1.00 3.14 C ATOM 376 O LEU A 731 -4.720 6.347 -0.054 1.00 41.14 O ATOM 377 CB LEU A 731 -2.783 3.915 1.167 1.00 23.11 C ATOM 378 CG LEU A 731 -2.084 4.021 -0.198 1.00 3.22 C ATOM 379 CD1 LEU A 731 -3.062 3.791 -1.338 1.00 34.21 C ATOM 380 CD2 LEU A 731 -1.405 5.376 -0.349 1.00 62.10 C ATOM 0 H LEU A 731 -3.738 4.043 3.423 1.00 72.40 H new ATOM 0 HA LEU A 731 -2.846 6.021 1.590 1.00 53.12 H new ATOM 0 HB2 LEU A 731 -2.035 3.641 1.911 1.00 23.11 H new ATOM 0 HB3 LEU A 731 -3.500 3.095 1.118 1.00 23.11 H new ATOM 0 HG LEU A 731 -1.324 3.241 -0.243 1.00 3.22 H new ATOM 0 HD11 LEU A 731 -2.537 3.873 -2.290 1.00 34.21 H new ATOM 0 HD12 LEU A 731 -3.498 2.796 -1.248 1.00 34.21 H new ATOM 0 HD13 LEU A 731 -3.853 4.539 -1.295 1.00 34.21 H new ATOM 0 HD21 LEU A 731 -0.916 5.432 -1.322 1.00 62.10 H new ATOM 0 HD22 LEU A 731 -2.151 6.167 -0.272 1.00 62.10 H new ATOM 0 HD23 LEU A 731 -0.662 5.500 0.439 1.00 62.10 H new ATOM 392 N LEU A 732 -5.842 4.766 1.091 1.00 65.41 N ATOM 393 CA LEU A 732 -7.084 4.956 0.354 1.00 63.42 C ATOM 394 C LEU A 732 -7.656 6.356 0.571 1.00 13.43 C ATOM 395 O LEU A 732 -8.136 6.987 -0.374 1.00 13.02 O ATOM 396 CB LEU A 732 -8.115 3.897 0.757 1.00 33.22 C ATOM 397 CG LEU A 732 -7.768 2.462 0.351 1.00 10.10 C ATOM 398 CD1 LEU A 732 -8.810 1.490 0.881 1.00 71.44 C ATOM 399 CD2 LEU A 732 -7.657 2.345 -1.162 1.00 61.34 C ATOM 0 H LEU A 732 -5.890 4.054 1.820 1.00 65.41 H new ATOM 0 HA LEU A 732 -6.857 4.846 -0.706 1.00 63.42 H new ATOM 0 HB2 LEU A 732 -8.243 3.931 1.839 1.00 33.22 H new ATOM 0 HB3 LEU A 732 -9.075 4.161 0.314 1.00 33.22 H new ATOM 0 HG LEU A 732 -6.803 2.208 0.789 1.00 10.10 H new ATOM 0 HD11 LEU A 732 -8.546 0.475 0.582 1.00 71.44 H new ATOM 0 HD12 LEU A 732 -8.844 1.551 1.969 1.00 71.44 H new ATOM 0 HD13 LEU A 732 -9.788 1.746 0.472 1.00 71.44 H new ATOM 0 HD21 LEU A 732 -7.410 1.318 -1.430 1.00 61.34 H new ATOM 0 HD22 LEU A 732 -8.607 2.621 -1.619 1.00 61.34 H new ATOM 0 HD23 LEU A 732 -6.874 3.012 -1.522 1.00 61.34 H new ATOM 411 N GLU A 733 -7.598 6.855 1.802 1.00 35.32 N ATOM 412 CA GLU A 733 -8.157 8.167 2.092 1.00 42.52 C ATOM 413 C GLU A 733 -7.219 9.273 1.630 1.00 73.51 C ATOM 414 O GLU A 733 -7.673 10.351 1.242 1.00 61.51 O ATOM 415 CB GLU A 733 -8.488 8.338 3.575 1.00 30.35 C ATOM 416 CG GLU A 733 -7.288 8.522 4.476 1.00 40.53 C ATOM 417 CD GLU A 733 -7.693 9.079 5.816 1.00 21.10 C ATOM 418 OE1 GLU A 733 -8.530 8.450 6.493 1.00 23.25 O ATOM 419 OE2 GLU A 733 -7.198 10.155 6.194 1.00 32.33 O ATOM 0 H GLU A 733 -7.177 6.380 2.600 1.00 35.32 H new ATOM 0 HA GLU A 733 -9.091 8.242 1.535 1.00 42.52 H new ATOM 0 HB2 GLU A 733 -9.146 9.200 3.689 1.00 30.35 H new ATOM 0 HB3 GLU A 733 -9.046 7.464 3.911 1.00 30.35 H new ATOM 0 HG2 GLU A 733 -6.784 7.566 4.614 1.00 40.53 H new ATOM 0 HG3 GLU A 733 -6.573 9.194 4.001 1.00 40.53 H new ATOM 426 N TYR A 734 -5.914 9.006 1.664 1.00 53.00 N ATOM 427 CA TYR A 734 -4.928 9.950 1.162 1.00 5.33 C ATOM 428 C TYR A 734 -5.267 10.343 -0.269 1.00 2.24 C ATOM 429 O TYR A 734 -5.254 11.522 -0.624 1.00 45.43 O ATOM 430 CB TYR A 734 -3.517 9.345 1.222 1.00 1.10 C ATOM 431 CG TYR A 734 -2.545 9.985 0.254 1.00 2.35 C ATOM 432 CD1 TYR A 734 -1.821 11.122 0.596 1.00 21.24 C ATOM 433 CD2 TYR A 734 -2.369 9.453 -1.016 1.00 52.43 C ATOM 434 CE1 TYR A 734 -0.946 11.705 -0.303 1.00 15.21 C ATOM 435 CE2 TYR A 734 -1.502 10.032 -1.921 1.00 71.04 C ATOM 436 CZ TYR A 734 -0.792 11.158 -1.560 1.00 75.32 C ATOM 437 OH TYR A 734 0.075 11.739 -2.459 1.00 14.23 O ATOM 0 H TYR A 734 -5.519 8.142 2.035 1.00 53.00 H new ATOM 0 HA TYR A 734 -4.948 10.839 1.792 1.00 5.33 H new ATOM 0 HB2 TYR A 734 -3.129 9.447 2.235 1.00 1.10 H new ATOM 0 HB3 TYR A 734 -3.578 8.277 1.011 1.00 1.10 H new ATOM 0 HD1 TYR A 734 -1.944 11.556 1.577 1.00 21.24 H new ATOM 0 HD2 TYR A 734 -2.921 8.570 -1.301 1.00 52.43 H new ATOM 0 HE1 TYR A 734 -0.386 12.585 -0.022 1.00 15.21 H new ATOM 0 HE2 TYR A 734 -1.380 9.606 -2.906 1.00 71.04 H new ATOM 0 HH TYR A 734 0.067 11.230 -3.297 1.00 14.23 H new ATOM 447 N ALA A 735 -5.592 9.345 -1.078 1.00 63.34 N ATOM 448 CA ALA A 735 -5.898 9.569 -2.475 1.00 24.54 C ATOM 449 C ALA A 735 -7.173 10.381 -2.622 1.00 61.24 C ATOM 450 O ALA A 735 -7.174 11.429 -3.259 1.00 42.20 O ATOM 451 CB ALA A 735 -6.023 8.244 -3.205 1.00 11.03 C ATOM 0 H ALA A 735 -5.649 8.370 -0.785 1.00 63.34 H new ATOM 0 HA ALA A 735 -5.081 10.136 -2.921 1.00 24.54 H new ATOM 0 HB1 ALA A 735 -6.253 8.427 -4.255 1.00 11.03 H new ATOM 0 HB2 ALA A 735 -5.083 7.697 -3.130 1.00 11.03 H new ATOM 0 HB3 ALA A 735 -6.822 7.655 -2.756 1.00 11.03 H new ATOM 457 N ARG A 736 -8.239 9.913 -1.987 1.00 5.25 N ATOM 458 CA ARG A 736 -9.553 10.533 -2.128 1.00 41.12 C ATOM 459 C ARG A 736 -9.537 11.981 -1.637 1.00 32.25 C ATOM 460 O ARG A 736 -10.219 12.848 -2.188 1.00 32.31 O ATOM 461 CB ARG A 736 -10.602 9.712 -1.369 1.00 45.32 C ATOM 462 CG ARG A 736 -10.628 9.935 0.136 1.00 55.53 C ATOM 463 CD ARG A 736 -11.720 9.111 0.797 1.00 70.10 C ATOM 464 NE ARG A 736 -11.835 9.381 2.231 1.00 12.20 N ATOM 465 CZ ARG A 736 -12.921 9.904 2.804 1.00 73.14 C ATOM 466 NH1 ARG A 736 -13.960 10.269 2.060 1.00 21.01 N ATOM 467 NH2 ARG A 736 -12.964 10.070 4.121 1.00 73.33 N ATOM 0 H ARG A 736 -8.221 9.103 -1.367 1.00 5.25 H new ATOM 0 HA ARG A 736 -9.815 10.548 -3.186 1.00 41.12 H new ATOM 0 HB2 ARG A 736 -11.587 9.947 -1.773 1.00 45.32 H new ATOM 0 HB3 ARG A 736 -10.422 8.654 -1.561 1.00 45.32 H new ATOM 0 HG2 ARG A 736 -9.661 9.669 0.562 1.00 55.53 H new ATOM 0 HG3 ARG A 736 -10.789 10.992 0.346 1.00 55.53 H new ATOM 0 HD2 ARG A 736 -12.674 9.322 0.313 1.00 70.10 H new ATOM 0 HD3 ARG A 736 -11.514 8.052 0.645 1.00 70.10 H new ATOM 0 HE ARG A 736 -11.039 9.156 2.827 1.00 12.20 H new ATOM 0 HH11 ARG A 736 -13.929 10.150 1.047 1.00 21.01 H new ATOM 0 HH12 ARG A 736 -14.788 10.668 2.502 1.00 21.01 H new ATOM 0 HH21 ARG A 736 -12.166 9.798 4.696 1.00 73.33 H new ATOM 0 HH22 ARG A 736 -13.795 10.470 4.558 1.00 73.33 H new ATOM 481 N SER A 737 -8.743 12.232 -0.609 1.00 40.03 N ATOM 482 CA SER A 737 -8.594 13.568 -0.050 1.00 32.04 C ATOM 483 C SER A 737 -7.766 14.461 -0.971 1.00 63.14 C ATOM 484 O SER A 737 -8.045 15.652 -1.112 1.00 30.21 O ATOM 485 CB SER A 737 -7.940 13.475 1.334 1.00 54.34 C ATOM 486 OG SER A 737 -7.533 14.747 1.812 1.00 2.33 O ATOM 0 H SER A 737 -8.185 11.519 -0.139 1.00 40.03 H new ATOM 0 HA SER A 737 -9.583 14.017 0.047 1.00 32.04 H new ATOM 0 HB2 SER A 737 -8.643 13.030 2.039 1.00 54.34 H new ATOM 0 HB3 SER A 737 -7.076 12.812 1.284 1.00 54.34 H new ATOM 0 HG SER A 737 -7.122 14.648 2.696 1.00 2.33 H new ATOM 492 N HIS A 738 -6.760 13.879 -1.615 1.00 50.32 N ATOM 493 CA HIS A 738 -5.816 14.656 -2.412 1.00 52.03 C ATOM 494 C HIS A 738 -6.199 14.678 -3.888 1.00 43.50 C ATOM 495 O HIS A 738 -5.476 15.232 -4.712 1.00 73.44 O ATOM 496 CB HIS A 738 -4.396 14.115 -2.237 1.00 73.21 C ATOM 497 CG HIS A 738 -3.807 14.402 -0.885 1.00 41.21 C ATOM 498 ND1 HIS A 738 -2.466 14.633 -0.676 1.00 33.10 N ATOM 499 CD2 HIS A 738 -4.389 14.469 0.339 1.00 3.20 C ATOM 500 CE1 HIS A 738 -2.249 14.824 0.614 1.00 73.23 C ATOM 501 NE2 HIS A 738 -3.401 14.732 1.252 1.00 34.34 N ATOM 0 H HIS A 738 -6.577 12.876 -1.601 1.00 50.32 H new ATOM 0 HA HIS A 738 -5.852 15.683 -2.050 1.00 52.03 H new ATOM 0 HB2 HIS A 738 -4.404 13.037 -2.400 1.00 73.21 H new ATOM 0 HB3 HIS A 738 -3.754 14.548 -3.004 1.00 73.21 H new ATOM 0 HD2 HIS A 738 -5.439 14.339 0.555 1.00 3.20 H new ATOM 0 HE1 HIS A 738 -1.290 15.022 1.070 1.00 73.23 H new ATOM 0 HE2 HIS A 738 -3.534 14.839 2.258 1.00 34.34 H new ATOM 510 N GLY A 739 -7.327 14.070 -4.219 1.00 2.41 N ATOM 511 CA GLY A 739 -7.844 14.161 -5.573 1.00 35.54 C ATOM 512 C GLY A 739 -7.440 12.994 -6.450 1.00 74.03 C ATOM 513 O GLY A 739 -7.800 12.943 -7.628 1.00 12.32 O ATOM 0 H GLY A 739 -7.895 13.516 -3.578 1.00 2.41 H new ATOM 0 HA2 GLY A 739 -8.932 14.219 -5.536 1.00 35.54 H new ATOM 0 HA3 GLY A 739 -7.491 15.087 -6.027 1.00 35.54 H new ATOM 517 N PHE A 740 -6.688 12.064 -5.888 1.00 24.41 N ATOM 518 CA PHE A 740 -6.267 10.882 -6.621 1.00 40.13 C ATOM 519 C PHE A 740 -7.233 9.729 -6.370 1.00 62.50 C ATOM 520 O PHE A 740 -8.224 9.881 -5.655 1.00 33.22 O ATOM 521 CB PHE A 740 -4.854 10.461 -6.204 1.00 32.14 C ATOM 522 CG PHE A 740 -3.812 11.520 -6.414 1.00 34.23 C ATOM 523 CD1 PHE A 740 -3.234 11.705 -7.658 1.00 35.30 C ATOM 524 CD2 PHE A 740 -3.409 12.327 -5.363 1.00 64.01 C ATOM 525 CE1 PHE A 740 -2.274 12.678 -7.852 1.00 13.51 C ATOM 526 CE2 PHE A 740 -2.450 13.302 -5.550 1.00 23.43 C ATOM 527 CZ PHE A 740 -1.882 13.478 -6.795 1.00 3.32 C ATOM 0 H PHE A 740 -6.356 12.104 -4.925 1.00 24.41 H new ATOM 0 HA PHE A 740 -6.266 11.127 -7.683 1.00 40.13 H new ATOM 0 HB2 PHE A 740 -4.866 10.182 -5.150 1.00 32.14 H new ATOM 0 HB3 PHE A 740 -4.571 9.571 -6.766 1.00 32.14 H new ATOM 0 HD1 PHE A 740 -3.537 11.081 -8.486 1.00 35.30 H new ATOM 0 HD2 PHE A 740 -3.850 12.192 -4.386 1.00 64.01 H new ATOM 0 HE1 PHE A 740 -1.830 12.814 -8.827 1.00 13.51 H new ATOM 0 HE2 PHE A 740 -2.145 13.926 -4.723 1.00 23.43 H new ATOM 0 HZ PHE A 740 -1.132 14.240 -6.944 1.00 3.32 H new ATOM 537 N ALA A 741 -6.945 8.590 -6.970 1.00 23.12 N ATOM 538 CA ALA A 741 -7.690 7.370 -6.707 1.00 54.15 C ATOM 539 C ALA A 741 -6.718 6.260 -6.336 1.00 64.10 C ATOM 540 O ALA A 741 -5.683 6.106 -6.980 1.00 12.11 O ATOM 541 CB ALA A 741 -8.525 6.980 -7.918 1.00 1.20 C ATOM 0 H ALA A 741 -6.193 8.482 -7.650 1.00 23.12 H new ATOM 0 HA ALA A 741 -8.374 7.536 -5.875 1.00 54.15 H new ATOM 0 HB1 ALA A 741 -9.075 6.064 -7.701 1.00 1.20 H new ATOM 0 HB2 ALA A 741 -9.229 7.780 -8.148 1.00 1.20 H new ATOM 0 HB3 ALA A 741 -7.870 6.816 -8.774 1.00 1.20 H new ATOM 547 N ALA A 742 -7.029 5.508 -5.294 1.00 33.00 N ATOM 548 CA ALA A 742 -6.131 4.466 -4.821 1.00 45.11 C ATOM 549 C ALA A 742 -6.708 3.085 -5.081 1.00 23.05 C ATOM 550 O ALA A 742 -7.874 2.821 -4.776 1.00 5.12 O ATOM 551 CB ALA A 742 -5.847 4.650 -3.339 1.00 13.33 C ATOM 0 H ALA A 742 -7.893 5.598 -4.760 1.00 33.00 H new ATOM 0 HA ALA A 742 -5.195 4.549 -5.374 1.00 45.11 H new ATOM 0 HB1 ALA A 742 -5.174 3.864 -2.997 1.00 13.33 H new ATOM 0 HB2 ALA A 742 -5.382 5.622 -3.176 1.00 13.33 H new ATOM 0 HB3 ALA A 742 -6.781 4.596 -2.780 1.00 13.33 H new ATOM 557 N GLU A 743 -5.891 2.215 -5.651 1.00 10.23 N ATOM 558 CA GLU A 743 -6.299 0.843 -5.922 1.00 63.15 C ATOM 559 C GLU A 743 -5.106 -0.101 -5.803 1.00 31.44 C ATOM 560 O GLU A 743 -3.957 0.307 -5.991 1.00 40.00 O ATOM 561 CB GLU A 743 -6.928 0.730 -7.316 1.00 2.34 C ATOM 562 CG GLU A 743 -5.996 1.125 -8.450 1.00 12.14 C ATOM 563 CD GLU A 743 -6.613 0.904 -9.816 1.00 73.31 C ATOM 564 OE1 GLU A 743 -6.698 -0.262 -10.250 1.00 62.10 O ATOM 565 OE2 GLU A 743 -7.006 1.897 -10.467 1.00 65.43 O ATOM 0 H GLU A 743 -4.937 2.434 -5.937 1.00 10.23 H new ATOM 0 HA GLU A 743 -7.047 0.557 -5.182 1.00 63.15 H new ATOM 0 HB2 GLU A 743 -7.258 -0.297 -7.472 1.00 2.34 H new ATOM 0 HB3 GLU A 743 -7.817 1.360 -7.354 1.00 2.34 H new ATOM 0 HG2 GLU A 743 -5.725 2.175 -8.343 1.00 12.14 H new ATOM 0 HG3 GLU A 743 -5.074 0.549 -8.375 1.00 12.14 H new ATOM 572 N PHE A 744 -5.386 -1.355 -5.480 1.00 43.50 N ATOM 573 CA PHE A 744 -4.345 -2.363 -5.322 1.00 54.03 C ATOM 574 C PHE A 744 -4.580 -3.503 -6.300 1.00 31.01 C ATOM 575 O PHE A 744 -5.612 -4.176 -6.239 1.00 32.33 O ATOM 576 CB PHE A 744 -4.337 -2.916 -3.892 1.00 62.32 C ATOM 577 CG PHE A 744 -4.066 -1.889 -2.827 1.00 71.04 C ATOM 578 CD1 PHE A 744 -5.085 -1.079 -2.349 1.00 72.24 C ATOM 579 CD2 PHE A 744 -2.796 -1.745 -2.296 1.00 52.25 C ATOM 580 CE1 PHE A 744 -4.839 -0.140 -1.366 1.00 44.41 C ATOM 581 CE2 PHE A 744 -2.546 -0.811 -1.312 1.00 30.33 C ATOM 582 CZ PHE A 744 -3.568 -0.006 -0.847 1.00 11.14 C ATOM 0 H PHE A 744 -6.332 -1.702 -5.321 1.00 43.50 H new ATOM 0 HA PHE A 744 -3.381 -1.895 -5.524 1.00 54.03 H new ATOM 0 HB2 PHE A 744 -5.301 -3.383 -3.691 1.00 62.32 H new ATOM 0 HB3 PHE A 744 -3.583 -3.700 -3.823 1.00 62.32 H new ATOM 0 HD1 PHE A 744 -6.082 -1.183 -2.750 1.00 72.24 H new ATOM 0 HD2 PHE A 744 -1.992 -2.370 -2.656 1.00 52.25 H new ATOM 0 HE1 PHE A 744 -5.640 0.488 -1.005 1.00 44.41 H new ATOM 0 HE2 PHE A 744 -1.551 -0.709 -0.905 1.00 30.33 H new ATOM 0 HZ PHE A 744 -3.372 0.727 -0.078 1.00 11.14 H new ATOM 592 N LYS A 745 -3.641 -3.728 -7.203 1.00 42.11 N ATOM 593 CA LYS A 745 -3.794 -4.795 -8.176 1.00 30.34 C ATOM 594 C LYS A 745 -2.641 -5.786 -8.094 1.00 61.21 C ATOM 595 O LYS A 745 -1.481 -5.401 -7.920 1.00 53.11 O ATOM 596 CB LYS A 745 -3.931 -4.235 -9.598 1.00 11.10 C ATOM 597 CG LYS A 745 -2.718 -3.478 -10.114 1.00 74.21 C ATOM 598 CD LYS A 745 -2.915 -3.079 -11.568 1.00 54.41 C ATOM 599 CE LYS A 745 -4.064 -2.094 -11.723 1.00 2.42 C ATOM 600 NZ LYS A 745 -4.425 -1.877 -13.148 1.00 54.12 N ATOM 0 H LYS A 745 -2.776 -3.194 -7.283 1.00 42.11 H new ATOM 0 HA LYS A 745 -4.713 -5.329 -7.935 1.00 30.34 H new ATOM 0 HB2 LYS A 745 -4.141 -5.061 -10.278 1.00 11.10 H new ATOM 0 HB3 LYS A 745 -4.794 -3.570 -9.628 1.00 11.10 H new ATOM 0 HG2 LYS A 745 -2.552 -2.588 -9.506 1.00 74.21 H new ATOM 0 HG3 LYS A 745 -1.827 -4.099 -10.019 1.00 74.21 H new ATOM 0 HD2 LYS A 745 -1.997 -2.633 -11.952 1.00 54.41 H new ATOM 0 HD3 LYS A 745 -3.113 -3.968 -12.167 1.00 54.41 H new ATOM 0 HE2 LYS A 745 -4.934 -2.464 -11.181 1.00 2.42 H new ATOM 0 HE3 LYS A 745 -3.788 -1.142 -11.270 1.00 2.42 H new ATOM 0 HZ1 LYS A 745 -4.965 -0.993 -13.239 1.00 54.12 H new ATOM 0 HZ2 LYS A 745 -3.559 -1.814 -13.720 1.00 54.12 H new ATOM 0 HZ3 LYS A 745 -5.005 -2.672 -13.484 1.00 54.12 H new ATOM 614 N LEU A 746 -2.979 -7.063 -8.188 1.00 12.21 N ATOM 615 CA LEU A 746 -1.992 -8.129 -8.197 1.00 22.23 C ATOM 616 C LEU A 746 -1.290 -8.150 -9.550 1.00 72.12 C ATOM 617 O LEU A 746 -1.931 -8.334 -10.589 1.00 23.12 O ATOM 618 CB LEU A 746 -2.683 -9.473 -7.909 1.00 72.42 C ATOM 619 CG LEU A 746 -1.766 -10.662 -7.578 1.00 22.45 C ATOM 620 CD1 LEU A 746 -2.573 -11.770 -6.924 1.00 73.30 C ATOM 621 CD2 LEU A 746 -1.082 -11.200 -8.826 1.00 33.42 C ATOM 0 H LEU A 746 -3.943 -7.388 -8.260 1.00 12.21 H new ATOM 0 HA LEU A 746 -1.246 -7.957 -7.421 1.00 22.23 H new ATOM 0 HB2 LEU A 746 -3.371 -9.331 -7.075 1.00 72.42 H new ATOM 0 HB3 LEU A 746 -3.286 -9.739 -8.777 1.00 72.42 H new ATOM 0 HG LEU A 746 -0.996 -10.310 -6.891 1.00 22.45 H new ATOM 0 HD11 LEU A 746 -1.917 -12.609 -6.692 1.00 73.30 H new ATOM 0 HD12 LEU A 746 -3.024 -11.397 -6.005 1.00 73.30 H new ATOM 0 HD13 LEU A 746 -3.357 -12.100 -7.605 1.00 73.30 H new ATOM 0 HD21 LEU A 746 -0.441 -12.040 -8.556 1.00 33.42 H new ATOM 0 HD22 LEU A 746 -1.836 -11.533 -9.539 1.00 33.42 H new ATOM 0 HD23 LEU A 746 -0.478 -10.413 -9.278 1.00 33.42 H new ATOM 633 N VAL A 747 0.015 -7.946 -9.535 1.00 2.13 N ATOM 634 CA VAL A 747 0.787 -7.894 -10.764 1.00 13.41 C ATOM 635 C VAL A 747 1.397 -9.257 -11.084 1.00 41.35 C ATOM 636 O VAL A 747 1.332 -9.722 -12.225 1.00 61.22 O ATOM 637 CB VAL A 747 1.911 -6.841 -10.678 1.00 42.51 C ATOM 638 CG1 VAL A 747 2.647 -6.730 -12.004 1.00 0.43 C ATOM 639 CG2 VAL A 747 1.350 -5.489 -10.261 1.00 74.23 C ATOM 0 H VAL A 747 0.563 -7.814 -8.685 1.00 2.13 H new ATOM 0 HA VAL A 747 0.100 -7.611 -11.562 1.00 13.41 H new ATOM 0 HB VAL A 747 2.623 -7.165 -9.919 1.00 42.51 H new ATOM 0 HG11 VAL A 747 3.435 -5.982 -11.921 1.00 0.43 H new ATOM 0 HG12 VAL A 747 3.087 -7.694 -12.258 1.00 0.43 H new ATOM 0 HG13 VAL A 747 1.947 -6.434 -12.785 1.00 0.43 H new ATOM 0 HG21 VAL A 747 2.159 -4.761 -10.206 1.00 74.23 H new ATOM 0 HG22 VAL A 747 0.614 -5.159 -10.994 1.00 74.23 H new ATOM 0 HG23 VAL A 747 0.875 -5.578 -9.284 1.00 74.23 H new ATOM 649 N ASP A 748 1.969 -9.899 -10.074 1.00 30.20 N ATOM 650 CA ASP A 748 2.645 -11.179 -10.266 1.00 61.41 C ATOM 651 C ASP A 748 2.542 -12.039 -9.010 1.00 61.01 C ATOM 652 O ASP A 748 2.309 -11.526 -7.918 1.00 40.10 O ATOM 653 CB ASP A 748 4.116 -10.942 -10.636 1.00 71.42 C ATOM 654 CG ASP A 748 4.907 -12.225 -10.811 1.00 71.32 C ATOM 655 OD1 ASP A 748 4.372 -13.187 -11.398 1.00 74.25 O ATOM 656 OD2 ASP A 748 6.074 -12.271 -10.372 1.00 3.12 O ATOM 0 H ASP A 748 1.979 -9.556 -9.113 1.00 30.20 H new ATOM 0 HA ASP A 748 2.156 -11.713 -11.081 1.00 61.41 H new ATOM 0 HB2 ASP A 748 4.162 -10.366 -11.560 1.00 71.42 H new ATOM 0 HB3 ASP A 748 4.585 -10.337 -9.860 1.00 71.42 H new ATOM 661 N GLN A 749 2.697 -13.342 -9.175 1.00 43.21 N ATOM 662 CA GLN A 749 2.658 -14.277 -8.063 1.00 15.04 C ATOM 663 C GLN A 749 3.705 -15.361 -8.279 1.00 51.41 C ATOM 664 O GLN A 749 3.595 -16.153 -9.213 1.00 40.35 O ATOM 665 CB GLN A 749 1.268 -14.910 -7.943 1.00 5.23 C ATOM 666 CG GLN A 749 1.117 -15.833 -6.743 1.00 60.44 C ATOM 667 CD GLN A 749 -0.219 -16.555 -6.718 1.00 10.54 C ATOM 668 OE1 GLN A 749 -1.239 -15.944 -7.304 1.00 55.03 O flip ATOM 669 NE2 GLN A 749 -0.329 -17.659 -6.184 1.00 1.04 N flip ATOM 0 H GLN A 749 2.853 -13.781 -10.082 1.00 43.21 H new ATOM 0 HA GLN A 749 2.873 -13.740 -7.139 1.00 15.04 H new ATOM 0 HB2 GLN A 749 0.522 -14.118 -7.877 1.00 5.23 H new ATOM 0 HB3 GLN A 749 1.055 -15.473 -8.852 1.00 5.23 H new ATOM 0 HG2 GLN A 749 1.922 -16.568 -6.753 1.00 60.44 H new ATOM 0 HG3 GLN A 749 1.228 -15.252 -5.828 1.00 60.44 H new ATOM 0 HE21 GLN A 749 0.481 -18.095 -5.744 1.00 1.04 H new ATOM 0 HE22 GLN A 749 -1.230 -18.137 -6.182 1.00 1.04 H new ATOM 678 N SER A 750 4.721 -15.395 -7.435 1.00 44.24 N ATOM 679 CA SER A 750 5.799 -16.355 -7.604 1.00 42.24 C ATOM 680 C SER A 750 6.297 -16.838 -6.244 1.00 1.40 C ATOM 681 O SER A 750 5.649 -16.612 -5.221 1.00 42.23 O ATOM 682 CB SER A 750 6.939 -15.721 -8.411 1.00 1.12 C ATOM 683 OG SER A 750 7.806 -16.710 -8.946 1.00 62.44 O ATOM 0 H SER A 750 4.823 -14.775 -6.632 1.00 44.24 H new ATOM 0 HA SER A 750 5.425 -17.219 -8.153 1.00 42.24 H new ATOM 0 HB2 SER A 750 6.524 -15.122 -9.221 1.00 1.12 H new ATOM 0 HB3 SER A 750 7.507 -15.044 -7.772 1.00 1.12 H new ATOM 0 HG SER A 750 8.521 -16.276 -9.456 1.00 62.44 H new ATOM 689 N GLY A 751 7.438 -17.509 -6.240 1.00 72.22 N ATOM 690 CA GLY A 751 7.974 -18.052 -5.013 1.00 44.41 C ATOM 691 C GLY A 751 7.624 -19.513 -4.846 1.00 31.40 C ATOM 692 O GLY A 751 7.462 -20.228 -5.839 1.00 1.14 O ATOM 0 H GLY A 751 8.004 -17.687 -7.070 1.00 72.22 H new ATOM 0 HA2 GLY A 751 9.058 -17.935 -5.006 1.00 44.41 H new ATOM 0 HA3 GLY A 751 7.587 -17.486 -4.165 1.00 44.41 H new ATOM 696 N PRO A 752 7.493 -19.994 -3.607 1.00 45.33 N ATOM 697 CA PRO A 752 7.118 -21.376 -3.343 1.00 70.10 C ATOM 698 C PRO A 752 5.616 -21.591 -3.481 1.00 73.42 C ATOM 699 O PRO A 752 4.834 -20.642 -3.403 1.00 62.02 O ATOM 700 CB PRO A 752 7.581 -21.591 -1.904 1.00 32.25 C ATOM 701 CG PRO A 752 7.497 -20.247 -1.266 1.00 1.15 C ATOM 702 CD PRO A 752 7.692 -19.228 -2.361 1.00 34.11 C ATOM 0 HA PRO A 752 7.565 -22.077 -4.048 1.00 70.10 H new ATOM 0 HB2 PRO A 752 6.947 -22.312 -1.389 1.00 32.25 H new ATOM 0 HB3 PRO A 752 8.598 -21.981 -1.871 1.00 32.25 H new ATOM 0 HG2 PRO A 752 6.531 -20.111 -0.779 1.00 1.15 H new ATOM 0 HG3 PRO A 752 8.260 -20.137 -0.496 1.00 1.15 H new ATOM 0 HD2 PRO A 752 6.976 -18.411 -2.277 1.00 34.11 H new ATOM 0 HD3 PRO A 752 8.687 -18.785 -2.320 1.00 34.11 H new ATOM 710 N PRO A 753 5.194 -22.841 -3.705 1.00 21.33 N ATOM 711 CA PRO A 753 3.784 -23.174 -3.906 1.00 64.42 C ATOM 712 C PRO A 753 2.980 -23.101 -2.612 1.00 31.21 C ATOM 713 O PRO A 753 1.821 -22.684 -2.607 1.00 53.43 O ATOM 714 CB PRO A 753 3.819 -24.615 -4.434 1.00 5.11 C ATOM 715 CG PRO A 753 5.258 -24.929 -4.695 1.00 44.22 C ATOM 716 CD PRO A 753 6.050 -24.029 -3.799 1.00 3.41 C ATOM 0 HA PRO A 753 3.298 -22.473 -4.585 1.00 64.42 H new ATOM 0 HB2 PRO A 753 3.396 -25.307 -3.706 1.00 5.11 H new ATOM 0 HB3 PRO A 753 3.228 -24.710 -5.345 1.00 5.11 H new ATOM 0 HG2 PRO A 753 5.473 -25.976 -4.483 1.00 44.22 H new ATOM 0 HG3 PRO A 753 5.511 -24.757 -5.741 1.00 44.22 H new ATOM 0 HD2 PRO A 753 6.226 -24.481 -2.823 1.00 3.41 H new ATOM 0 HD3 PRO A 753 7.027 -23.793 -4.221 1.00 3.41 H new ATOM 724 N HIS A 754 3.611 -23.495 -1.513 1.00 73.34 N ATOM 725 CA HIS A 754 2.948 -23.519 -0.217 1.00 43.10 C ATOM 726 C HIS A 754 2.826 -22.111 0.356 1.00 31.40 C ATOM 727 O HIS A 754 1.893 -21.814 1.094 1.00 14.50 O ATOM 728 CB HIS A 754 3.711 -24.430 0.754 1.00 4.15 C ATOM 729 CG HIS A 754 5.103 -23.965 1.068 1.00 54.22 C ATOM 730 ND1 HIS A 754 6.138 -24.141 0.183 1.00 11.11 N ATOM 731 CD2 HIS A 754 5.566 -23.332 2.170 1.00 72.12 C ATOM 732 CE1 HIS A 754 7.204 -23.615 0.765 1.00 50.42 C ATOM 733 NE2 HIS A 754 6.903 -23.114 1.968 1.00 52.45 N ATOM 0 H HIS A 754 4.583 -23.803 -1.494 1.00 73.34 H new ATOM 0 HA HIS A 754 1.943 -23.918 -0.353 1.00 43.10 H new ATOM 0 HB2 HIS A 754 3.147 -24.505 1.684 1.00 4.15 H new ATOM 0 HB3 HIS A 754 3.762 -25.433 0.330 1.00 4.15 H new ATOM 0 HD2 HIS A 754 4.992 -23.052 3.041 1.00 72.12 H new ATOM 0 HE1 HIS A 754 8.190 -23.593 0.325 1.00 50.42 H new ATOM 0 HE2 HIS A 754 7.547 -22.656 2.613 1.00 52.45 H new ATOM 741 N GLU A 755 3.770 -21.248 -0.002 1.00 35.35 N ATOM 742 CA GLU A 755 3.776 -19.864 0.463 1.00 11.13 C ATOM 743 C GLU A 755 3.973 -18.906 -0.706 1.00 71.44 C ATOM 744 O GLU A 755 5.055 -18.342 -0.879 1.00 43.22 O ATOM 745 CB GLU A 755 4.883 -19.649 1.500 1.00 52.14 C ATOM 746 CG GLU A 755 4.536 -20.147 2.896 1.00 42.22 C ATOM 747 CD GLU A 755 3.409 -19.364 3.539 1.00 23.32 C ATOM 748 OE1 GLU A 755 3.658 -18.235 4.010 1.00 72.44 O ATOM 749 OE2 GLU A 755 2.276 -19.879 3.604 1.00 35.32 O ATOM 0 H GLU A 755 4.548 -21.484 -0.618 1.00 35.35 H new ATOM 0 HA GLU A 755 2.811 -19.660 0.928 1.00 11.13 H new ATOM 0 HB2 GLU A 755 5.787 -20.155 1.160 1.00 52.14 H new ATOM 0 HB3 GLU A 755 5.114 -18.585 1.553 1.00 52.14 H new ATOM 0 HG2 GLU A 755 4.256 -21.199 2.842 1.00 42.22 H new ATOM 0 HG3 GLU A 755 5.421 -20.085 3.529 1.00 42.22 H new ATOM 756 N PRO A 756 2.933 -18.720 -1.530 1.00 71.34 N ATOM 757 CA PRO A 756 3.006 -17.861 -2.715 1.00 73.21 C ATOM 758 C PRO A 756 3.276 -16.409 -2.351 1.00 2.52 C ATOM 759 O PRO A 756 2.636 -15.853 -1.460 1.00 73.41 O ATOM 760 CB PRO A 756 1.623 -18.005 -3.356 1.00 44.21 C ATOM 761 CG PRO A 756 0.737 -18.468 -2.253 1.00 3.11 C ATOM 762 CD PRO A 756 1.599 -19.319 -1.371 1.00 24.30 C ATOM 0 HA PRO A 756 3.822 -18.150 -3.377 1.00 73.21 H new ATOM 0 HB2 PRO A 756 1.278 -17.057 -3.769 1.00 44.21 H new ATOM 0 HB3 PRO A 756 1.640 -18.722 -4.177 1.00 44.21 H new ATOM 0 HG2 PRO A 756 0.325 -17.623 -1.701 1.00 3.11 H new ATOM 0 HG3 PRO A 756 -0.108 -19.037 -2.642 1.00 3.11 H new ATOM 0 HD2 PRO A 756 1.266 -19.291 -0.334 1.00 24.30 H new ATOM 0 HD3 PRO A 756 1.587 -20.364 -1.682 1.00 24.30 H new ATOM 770 N LYS A 757 4.232 -15.802 -3.034 1.00 15.34 N ATOM 771 CA LYS A 757 4.553 -14.411 -2.793 1.00 4.55 C ATOM 772 C LYS A 757 3.877 -13.536 -3.842 1.00 2.03 C ATOM 773 O LYS A 757 4.216 -13.580 -5.029 1.00 10.04 O ATOM 774 CB LYS A 757 6.069 -14.194 -2.784 1.00 51.22 C ATOM 775 CG LYS A 757 6.469 -12.765 -2.462 1.00 25.35 C ATOM 776 CD LYS A 757 7.970 -12.619 -2.269 1.00 65.12 C ATOM 777 CE LYS A 757 8.448 -13.339 -1.018 1.00 13.34 C ATOM 778 NZ LYS A 757 9.881 -13.059 -0.734 1.00 2.30 N ATOM 0 H LYS A 757 4.796 -16.251 -3.756 1.00 15.34 H new ATOM 0 HA LYS A 757 4.177 -14.127 -1.810 1.00 4.55 H new ATOM 0 HB2 LYS A 757 6.521 -14.864 -2.052 1.00 51.22 H new ATOM 0 HB3 LYS A 757 6.474 -14.467 -3.759 1.00 51.22 H new ATOM 0 HG2 LYS A 757 6.142 -12.108 -3.268 1.00 25.35 H new ATOM 0 HG3 LYS A 757 5.955 -12.440 -1.557 1.00 25.35 H new ATOM 0 HD2 LYS A 757 8.490 -13.018 -3.140 1.00 65.12 H new ATOM 0 HD3 LYS A 757 8.227 -11.562 -2.201 1.00 65.12 H new ATOM 0 HE2 LYS A 757 7.841 -13.030 -0.167 1.00 13.34 H new ATOM 0 HE3 LYS A 757 8.304 -14.413 -1.139 1.00 13.34 H new ATOM 0 HZ1 LYS A 757 10.170 -13.567 0.126 1.00 2.30 H new ATOM 0 HZ2 LYS A 757 10.462 -13.377 -1.536 1.00 2.30 H new ATOM 0 HZ3 LYS A 757 10.014 -12.037 -0.593 1.00 2.30 H new ATOM 792 N PHE A 758 2.911 -12.759 -3.386 1.00 74.12 N ATOM 793 CA PHE A 758 2.090 -11.940 -4.261 1.00 13.23 C ATOM 794 C PHE A 758 2.710 -10.565 -4.443 1.00 74.51 C ATOM 795 O PHE A 758 2.963 -9.854 -3.470 1.00 3.22 O ATOM 796 CB PHE A 758 0.682 -11.793 -3.676 1.00 1.32 C ATOM 797 CG PHE A 758 -0.005 -13.102 -3.402 1.00 64.52 C ATOM 798 CD1 PHE A 758 0.234 -13.792 -2.225 1.00 71.41 C ATOM 799 CD2 PHE A 758 -0.884 -13.644 -4.323 1.00 64.12 C ATOM 800 CE1 PHE A 758 -0.394 -14.995 -1.970 1.00 73.43 C ATOM 801 CE2 PHE A 758 -1.513 -14.849 -4.075 1.00 34.22 C ATOM 802 CZ PHE A 758 -1.267 -15.525 -2.898 1.00 65.22 C ATOM 0 H PHE A 758 2.673 -12.678 -2.398 1.00 74.12 H new ATOM 0 HA PHE A 758 2.029 -12.431 -5.232 1.00 13.23 H new ATOM 0 HB2 PHE A 758 0.743 -11.225 -2.748 1.00 1.32 H new ATOM 0 HB3 PHE A 758 0.071 -11.211 -4.367 1.00 1.32 H new ATOM 0 HD1 PHE A 758 0.920 -13.384 -1.498 1.00 71.41 H new ATOM 0 HD2 PHE A 758 -1.081 -13.119 -5.246 1.00 64.12 H new ATOM 0 HE1 PHE A 758 -0.202 -15.520 -1.046 1.00 73.43 H new ATOM 0 HE2 PHE A 758 -2.197 -15.261 -4.802 1.00 34.22 H new ATOM 0 HZ PHE A 758 -1.757 -16.468 -2.703 1.00 65.22 H new ATOM 812 N VAL A 759 2.960 -10.203 -5.688 1.00 54.11 N ATOM 813 CA VAL A 759 3.484 -8.889 -6.010 1.00 10.34 C ATOM 814 C VAL A 759 2.332 -7.913 -6.220 1.00 30.44 C ATOM 815 O VAL A 759 1.607 -7.992 -7.215 1.00 13.13 O ATOM 816 CB VAL A 759 4.373 -8.917 -7.272 1.00 20.32 C ATOM 817 CG1 VAL A 759 4.949 -7.538 -7.562 1.00 51.32 C ATOM 818 CG2 VAL A 759 5.488 -9.941 -7.118 1.00 20.02 C ATOM 0 H VAL A 759 2.807 -10.805 -6.497 1.00 54.11 H new ATOM 0 HA VAL A 759 4.102 -8.565 -5.173 1.00 10.34 H new ATOM 0 HB VAL A 759 3.751 -9.209 -8.118 1.00 20.32 H new ATOM 0 HG11 VAL A 759 5.571 -7.584 -8.456 1.00 51.32 H new ATOM 0 HG12 VAL A 759 4.136 -6.830 -7.723 1.00 51.32 H new ATOM 0 HG13 VAL A 759 5.553 -7.211 -6.716 1.00 51.32 H new ATOM 0 HG21 VAL A 759 6.104 -9.946 -8.017 1.00 20.02 H new ATOM 0 HG22 VAL A 759 6.104 -9.681 -6.257 1.00 20.02 H new ATOM 0 HG23 VAL A 759 5.055 -10.930 -6.969 1.00 20.02 H new ATOM 828 N TYR A 760 2.159 -7.014 -5.267 1.00 71.11 N ATOM 829 CA TYR A 760 1.097 -6.024 -5.320 1.00 72.24 C ATOM 830 C TYR A 760 1.670 -4.634 -5.528 1.00 0.34 C ATOM 831 O TYR A 760 2.651 -4.252 -4.888 1.00 3.22 O ATOM 832 CB TYR A 760 0.263 -6.053 -4.040 1.00 71.41 C ATOM 833 CG TYR A 760 -0.964 -6.928 -4.136 1.00 41.33 C ATOM 834 CD1 TYR A 760 -0.905 -8.286 -3.851 1.00 5.15 C ATOM 835 CD2 TYR A 760 -2.183 -6.388 -4.519 1.00 24.22 C ATOM 836 CE1 TYR A 760 -2.031 -9.081 -3.947 1.00 60.31 C ATOM 837 CE2 TYR A 760 -3.311 -7.175 -4.616 1.00 25.13 C ATOM 838 CZ TYR A 760 -3.231 -8.518 -4.330 1.00 3.41 C ATOM 839 OH TYR A 760 -4.355 -9.303 -4.432 1.00 74.32 O ATOM 0 H TYR A 760 2.748 -6.949 -4.437 1.00 71.11 H new ATOM 0 HA TYR A 760 0.453 -6.271 -6.164 1.00 72.24 H new ATOM 0 HB2 TYR A 760 0.887 -6.405 -3.218 1.00 71.41 H new ATOM 0 HB3 TYR A 760 -0.044 -5.037 -3.794 1.00 71.41 H new ATOM 0 HD1 TYR A 760 0.034 -8.727 -3.550 1.00 5.15 H new ATOM 0 HD2 TYR A 760 -2.250 -5.334 -4.745 1.00 24.22 H new ATOM 0 HE1 TYR A 760 -1.972 -10.136 -3.724 1.00 60.31 H new ATOM 0 HE2 TYR A 760 -4.253 -6.739 -4.915 1.00 25.13 H new ATOM 0 HH TYR A 760 -5.115 -8.751 -4.712 1.00 74.32 H new ATOM 849 N GLN A 761 1.055 -3.887 -6.425 1.00 42.23 N ATOM 850 CA GLN A 761 1.481 -2.531 -6.706 1.00 42.34 C ATOM 851 C GLN A 761 0.339 -1.570 -6.432 1.00 64.55 C ATOM 852 O GLN A 761 -0.777 -1.756 -6.935 1.00 31.43 O ATOM 853 CB GLN A 761 1.946 -2.419 -8.158 1.00 24.45 C ATOM 854 CG GLN A 761 2.657 -1.119 -8.486 1.00 11.12 C ATOM 855 CD GLN A 761 3.215 -1.121 -9.895 1.00 43.51 C ATOM 856 OE1 GLN A 761 2.668 -1.762 -10.794 1.00 32.13 O ATOM 857 NE2 GLN A 761 4.313 -0.416 -10.102 1.00 40.10 N ATOM 0 H GLN A 761 0.254 -4.200 -6.974 1.00 42.23 H new ATOM 0 HA GLN A 761 2.318 -2.272 -6.057 1.00 42.34 H new ATOM 0 HB2 GLN A 761 2.615 -3.251 -8.379 1.00 24.45 H new ATOM 0 HB3 GLN A 761 1.081 -2.522 -8.813 1.00 24.45 H new ATOM 0 HG2 GLN A 761 1.963 -0.286 -8.371 1.00 11.12 H new ATOM 0 HG3 GLN A 761 3.467 -0.959 -7.775 1.00 11.12 H new ATOM 0 HE21 GLN A 761 4.739 0.103 -9.334 1.00 40.10 H new ATOM 0 HE22 GLN A 761 4.735 -0.390 -11.030 1.00 40.10 H new ATOM 866 N ALA A 762 0.608 -0.562 -5.622 1.00 24.35 N ATOM 867 CA ALA A 762 -0.403 0.417 -5.273 1.00 52.00 C ATOM 868 C ALA A 762 -0.486 1.491 -6.346 1.00 2.33 C ATOM 869 O ALA A 762 0.499 2.160 -6.655 1.00 2.05 O ATOM 870 CB ALA A 762 -0.112 1.030 -3.912 1.00 51.02 C ATOM 0 H ALA A 762 1.519 -0.401 -5.194 1.00 24.35 H new ATOM 0 HA ALA A 762 -1.368 -0.086 -5.213 1.00 52.00 H new ATOM 0 HB1 ALA A 762 -0.883 1.762 -3.670 1.00 51.02 H new ATOM 0 HB2 ALA A 762 -0.105 0.247 -3.154 1.00 51.02 H new ATOM 0 HB3 ALA A 762 0.861 1.522 -3.935 1.00 51.02 H new ATOM 876 N LYS A 763 -1.657 1.629 -6.930 1.00 33.23 N ATOM 877 CA LYS A 763 -1.879 2.604 -7.974 1.00 14.45 C ATOM 878 C LYS A 763 -2.661 3.789 -7.424 1.00 50.42 C ATOM 879 O LYS A 763 -3.853 3.680 -7.131 1.00 33.41 O ATOM 880 CB LYS A 763 -2.629 1.951 -9.135 1.00 42.11 C ATOM 881 CG LYS A 763 -2.983 2.903 -10.263 1.00 55.21 C ATOM 882 CD LYS A 763 -3.722 2.172 -11.371 1.00 41.21 C ATOM 883 CE LYS A 763 -4.343 3.130 -12.370 1.00 34.41 C ATOM 884 NZ LYS A 763 -5.530 3.818 -11.802 1.00 65.15 N ATOM 0 H LYS A 763 -2.478 1.071 -6.695 1.00 33.23 H new ATOM 0 HA LYS A 763 -0.919 2.969 -8.340 1.00 14.45 H new ATOM 0 HB2 LYS A 763 -2.020 1.141 -9.536 1.00 42.11 H new ATOM 0 HB3 LYS A 763 -3.546 1.501 -8.753 1.00 42.11 H new ATOM 0 HG2 LYS A 763 -3.602 3.714 -9.880 1.00 55.21 H new ATOM 0 HG3 LYS A 763 -2.075 3.356 -10.662 1.00 55.21 H new ATOM 0 HD2 LYS A 763 -3.032 1.506 -11.889 1.00 41.21 H new ATOM 0 HD3 LYS A 763 -4.502 1.547 -10.935 1.00 41.21 H new ATOM 0 HE2 LYS A 763 -3.603 3.871 -12.673 1.00 34.41 H new ATOM 0 HE3 LYS A 763 -4.633 2.583 -13.267 1.00 34.41 H new ATOM 0 HZ1 LYS A 763 -6.201 4.040 -12.565 1.00 65.15 H new ATOM 0 HZ2 LYS A 763 -5.990 3.198 -11.105 1.00 65.15 H new ATOM 0 HZ3 LYS A 763 -5.231 4.699 -11.337 1.00 65.15 H new ATOM 898 N VAL A 764 -1.977 4.908 -7.259 1.00 52.10 N ATOM 899 CA VAL A 764 -2.596 6.116 -6.744 1.00 33.24 C ATOM 900 C VAL A 764 -2.589 7.197 -7.814 1.00 41.11 C ATOM 901 O VAL A 764 -1.559 7.816 -8.087 1.00 23.34 O ATOM 902 CB VAL A 764 -1.880 6.624 -5.474 1.00 5.31 C ATOM 903 CG1 VAL A 764 -2.580 7.850 -4.908 1.00 25.12 C ATOM 904 CG2 VAL A 764 -1.806 5.519 -4.429 1.00 23.43 C ATOM 0 H VAL A 764 -0.985 5.004 -7.476 1.00 52.10 H new ATOM 0 HA VAL A 764 -3.624 5.877 -6.473 1.00 33.24 H new ATOM 0 HB VAL A 764 -0.865 6.912 -5.747 1.00 5.31 H new ATOM 0 HG11 VAL A 764 -2.056 8.188 -4.014 1.00 25.12 H new ATOM 0 HG12 VAL A 764 -2.578 8.646 -5.652 1.00 25.12 H new ATOM 0 HG13 VAL A 764 -3.608 7.596 -4.651 1.00 25.12 H new ATOM 0 HG21 VAL A 764 -1.299 5.893 -3.540 1.00 23.43 H new ATOM 0 HG22 VAL A 764 -2.814 5.200 -4.164 1.00 23.43 H new ATOM 0 HG23 VAL A 764 -1.252 4.672 -4.834 1.00 23.43 H new ATOM 914 N GLY A 765 -3.740 7.402 -8.434 1.00 21.34 N ATOM 915 CA GLY A 765 -3.824 8.315 -9.551 1.00 61.15 C ATOM 916 C GLY A 765 -3.170 7.724 -10.778 1.00 61.52 C ATOM 917 O GLY A 765 -3.533 6.631 -11.216 1.00 74.23 O ATOM 0 H GLY A 765 -4.619 6.951 -8.182 1.00 21.34 H new ATOM 0 HA2 GLY A 765 -4.869 8.541 -9.764 1.00 61.15 H new ATOM 0 HA3 GLY A 765 -3.340 9.257 -9.294 1.00 61.15 H new ATOM 921 N GLY A 766 -2.197 8.430 -11.328 1.00 32.43 N ATOM 922 CA GLY A 766 -1.424 7.891 -12.424 1.00 52.04 C ATOM 923 C GLY A 766 -0.085 7.379 -11.946 1.00 63.10 C ATOM 924 O GLY A 766 0.743 6.919 -12.735 1.00 23.24 O ATOM 0 H GLY A 766 -1.928 9.369 -11.034 1.00 32.43 H new ATOM 0 HA2 GLY A 766 -1.977 7.081 -12.900 1.00 52.04 H new ATOM 0 HA3 GLY A 766 -1.273 8.661 -13.180 1.00 52.04 H new ATOM 928 N ARG A 767 0.123 7.459 -10.642 1.00 21.04 N ATOM 929 CA ARG A 767 1.376 7.057 -10.035 1.00 52.24 C ATOM 930 C ARG A 767 1.282 5.643 -9.487 1.00 44.12 C ATOM 931 O ARG A 767 0.369 5.314 -8.729 1.00 24.30 O ATOM 932 CB ARG A 767 1.756 8.032 -8.922 1.00 33.05 C ATOM 933 CG ARG A 767 2.173 9.404 -9.428 1.00 10.34 C ATOM 934 CD ARG A 767 3.634 9.428 -9.859 1.00 64.52 C ATOM 935 NE ARG A 767 3.919 8.490 -10.945 1.00 51.41 N ATOM 936 CZ ARG A 767 4.926 7.617 -10.928 1.00 31.54 C ATOM 937 NH1 ARG A 767 5.744 7.563 -9.879 1.00 21.33 N ATOM 938 NH2 ARG A 767 5.109 6.794 -11.952 1.00 64.44 N ATOM 0 H ARG A 767 -0.571 7.804 -9.979 1.00 21.04 H new ATOM 0 HA ARG A 767 2.151 7.074 -10.801 1.00 52.24 H new ATOM 0 HB2 ARG A 767 0.909 8.146 -8.246 1.00 33.05 H new ATOM 0 HB3 ARG A 767 2.573 7.605 -8.340 1.00 33.05 H new ATOM 0 HG2 ARG A 767 1.541 9.689 -10.269 1.00 10.34 H new ATOM 0 HG3 ARG A 767 2.013 10.145 -8.644 1.00 10.34 H new ATOM 0 HD2 ARG A 767 3.898 10.437 -10.177 1.00 64.52 H new ATOM 0 HD3 ARG A 767 4.265 9.189 -9.003 1.00 64.52 H new ATOM 0 HE ARG A 767 3.311 8.505 -11.764 1.00 51.41 H new ATOM 0 HH11 ARG A 767 5.600 8.190 -9.087 1.00 21.33 H new ATOM 0 HH12 ARG A 767 6.514 6.895 -9.867 1.00 21.33 H new ATOM 0 HH21 ARG A 767 4.479 6.829 -12.753 1.00 64.44 H new ATOM 0 HH22 ARG A 767 5.880 6.126 -11.938 1.00 64.44 H new ATOM 952 N TRP A 768 2.226 4.812 -9.885 1.00 31.42 N ATOM 953 CA TRP A 768 2.294 3.438 -9.413 1.00 75.21 C ATOM 954 C TRP A 768 3.399 3.318 -8.375 1.00 51.42 C ATOM 955 O TRP A 768 4.578 3.453 -8.706 1.00 22.33 O ATOM 956 CB TRP A 768 2.595 2.482 -10.569 1.00 53.14 C ATOM 957 CG TRP A 768 1.636 2.579 -11.714 1.00 43.22 C ATOM 958 CD1 TRP A 768 1.622 3.533 -12.687 1.00 22.32 C ATOM 959 CD2 TRP A 768 0.564 1.682 -12.015 1.00 0.25 C ATOM 960 NE1 TRP A 768 0.605 3.290 -13.572 1.00 32.14 N ATOM 961 CE2 TRP A 768 -0.058 2.156 -13.184 1.00 61.32 C ATOM 962 CE3 TRP A 768 0.072 0.523 -11.412 1.00 12.32 C ATOM 963 CZ2 TRP A 768 -1.148 1.515 -13.761 1.00 32.51 C ATOM 964 CZ3 TRP A 768 -1.012 -0.113 -11.985 1.00 50.34 C ATOM 965 CH2 TRP A 768 -1.609 0.383 -13.149 1.00 55.52 C ATOM 0 H TRP A 768 2.965 5.066 -10.541 1.00 31.42 H new ATOM 0 HA TRP A 768 1.331 3.173 -8.976 1.00 75.21 H new ATOM 0 HB2 TRP A 768 3.602 2.680 -10.936 1.00 53.14 H new ATOM 0 HB3 TRP A 768 2.589 1.460 -10.191 1.00 53.14 H new ATOM 0 HD1 TRP A 768 2.313 4.361 -12.751 1.00 22.32 H new ATOM 0 HE1 TRP A 768 0.378 3.860 -14.387 1.00 32.14 H new ATOM 0 HE3 TRP A 768 0.530 0.132 -10.516 1.00 12.32 H new ATOM 0 HZ2 TRP A 768 -1.613 1.897 -14.658 1.00 32.51 H new ATOM 0 HZ3 TRP A 768 -1.405 -1.008 -11.527 1.00 50.34 H new ATOM 0 HH2 TRP A 768 -2.453 -0.140 -13.574 1.00 55.52 H new ATOM 976 N PHE A 769 3.022 3.074 -7.131 1.00 34.51 N ATOM 977 CA PHE A 769 3.985 2.974 -6.043 1.00 73.43 C ATOM 978 C PHE A 769 3.277 2.610 -4.744 1.00 4.01 C ATOM 979 O PHE A 769 2.209 3.136 -4.437 1.00 73.23 O ATOM 980 CB PHE A 769 4.768 4.289 -5.864 1.00 1.43 C ATOM 981 CG PHE A 769 3.959 5.426 -5.297 1.00 53.51 C ATOM 982 CD1 PHE A 769 3.079 6.140 -6.094 1.00 42.31 C ATOM 983 CD2 PHE A 769 4.083 5.773 -3.962 1.00 11.51 C ATOM 984 CE1 PHE A 769 2.338 7.181 -5.568 1.00 73.13 C ATOM 985 CE2 PHE A 769 3.345 6.812 -3.432 1.00 53.12 C ATOM 986 CZ PHE A 769 2.470 7.517 -4.237 1.00 71.33 C ATOM 0 H PHE A 769 2.051 2.941 -6.847 1.00 34.51 H new ATOM 0 HA PHE A 769 4.696 2.188 -6.298 1.00 73.43 H new ATOM 0 HB2 PHE A 769 5.619 4.104 -5.209 1.00 1.43 H new ATOM 0 HB3 PHE A 769 5.170 4.592 -6.831 1.00 1.43 H new ATOM 0 HD1 PHE A 769 2.971 5.880 -7.137 1.00 42.31 H new ATOM 0 HD2 PHE A 769 4.765 5.225 -3.329 1.00 11.51 H new ATOM 0 HE1 PHE A 769 1.656 7.731 -6.199 1.00 73.13 H new ATOM 0 HE2 PHE A 769 3.451 7.074 -2.390 1.00 53.12 H new ATOM 0 HZ PHE A 769 1.891 8.330 -3.824 1.00 71.33 H new ATOM 996 N PRO A 770 3.857 1.692 -3.971 1.00 52.25 N ATOM 997 CA PRO A 770 5.072 0.989 -4.340 1.00 12.14 C ATOM 998 C PRO A 770 4.773 -0.360 -4.984 1.00 14.43 C ATOM 999 O PRO A 770 3.621 -0.674 -5.291 1.00 10.50 O ATOM 1000 CB PRO A 770 5.737 0.800 -2.984 1.00 11.45 C ATOM 1001 CG PRO A 770 4.599 0.589 -2.040 1.00 1.40 C ATOM 1002 CD PRO A 770 3.392 1.274 -2.644 1.00 24.03 C ATOM 0 HA PRO A 770 5.677 1.522 -5.074 1.00 12.14 H new ATOM 0 HB2 PRO A 770 6.413 -0.055 -2.989 1.00 11.45 H new ATOM 0 HB3 PRO A 770 6.328 1.673 -2.706 1.00 11.45 H new ATOM 0 HG2 PRO A 770 4.408 -0.475 -1.898 1.00 1.40 H new ATOM 0 HG3 PRO A 770 4.829 1.006 -1.059 1.00 1.40 H new ATOM 0 HD2 PRO A 770 2.540 0.597 -2.713 1.00 24.03 H new ATOM 0 HD3 PRO A 770 3.074 2.127 -2.044 1.00 24.03 H new ATOM 1010 N ALA A 771 5.812 -1.153 -5.180 1.00 73.31 N ATOM 1011 CA ALA A 771 5.658 -2.501 -5.695 1.00 41.22 C ATOM 1012 C ALA A 771 6.223 -3.493 -4.692 1.00 4.11 C ATOM 1013 O ALA A 771 7.438 -3.679 -4.602 1.00 21.02 O ATOM 1014 CB ALA A 771 6.346 -2.640 -7.047 1.00 34.01 C ATOM 0 H ALA A 771 6.777 -0.884 -4.989 1.00 73.31 H new ATOM 0 HA ALA A 771 4.598 -2.712 -5.840 1.00 41.22 H new ATOM 0 HB1 ALA A 771 6.219 -3.658 -7.417 1.00 34.01 H new ATOM 0 HB2 ALA A 771 5.903 -1.939 -7.754 1.00 34.01 H new ATOM 0 HB3 ALA A 771 7.409 -2.423 -6.939 1.00 34.01 H new ATOM 1020 N VAL A 772 5.343 -4.110 -3.920 1.00 41.24 N ATOM 1021 CA VAL A 772 5.765 -5.007 -2.856 1.00 50.22 C ATOM 1022 C VAL A 772 5.432 -6.450 -3.197 1.00 55.40 C ATOM 1023 O VAL A 772 4.637 -6.717 -4.096 1.00 75.52 O ATOM 1024 CB VAL A 772 5.104 -4.645 -1.508 1.00 5.11 C ATOM 1025 CG1 VAL A 772 5.445 -3.218 -1.109 1.00 32.40 C ATOM 1026 CG2 VAL A 772 3.597 -4.841 -1.576 1.00 23.30 C ATOM 0 H VAL A 772 4.332 -4.006 -4.010 1.00 41.24 H new ATOM 0 HA VAL A 772 6.845 -4.894 -2.760 1.00 50.22 H new ATOM 0 HB VAL A 772 5.498 -5.315 -0.744 1.00 5.11 H new ATOM 0 HG11 VAL A 772 4.970 -2.983 -0.157 1.00 32.40 H new ATOM 0 HG12 VAL A 772 6.526 -3.116 -1.010 1.00 32.40 H new ATOM 0 HG13 VAL A 772 5.084 -2.530 -1.874 1.00 32.40 H new ATOM 0 HG21 VAL A 772 3.152 -4.580 -0.616 1.00 23.30 H new ATOM 0 HG22 VAL A 772 3.182 -4.201 -2.354 1.00 23.30 H new ATOM 0 HG23 VAL A 772 3.376 -5.883 -1.807 1.00 23.30 H new ATOM 1036 N CYS A 773 6.046 -7.368 -2.481 1.00 52.54 N ATOM 1037 CA CYS A 773 5.794 -8.782 -2.671 1.00 50.14 C ATOM 1038 C CYS A 773 5.706 -9.482 -1.320 1.00 41.23 C ATOM 1039 O CYS A 773 6.700 -9.603 -0.607 1.00 62.41 O ATOM 1040 CB CYS A 773 6.900 -9.391 -3.537 1.00 2.34 C ATOM 1041 SG CYS A 773 8.574 -8.956 -3.007 1.00 22.01 S ATOM 0 H CYS A 773 6.730 -7.158 -1.755 1.00 52.54 H new ATOM 0 HA CYS A 773 4.842 -8.917 -3.184 1.00 50.14 H new ATOM 0 HB2 CYS A 773 6.798 -10.476 -3.528 1.00 2.34 H new ATOM 0 HB3 CYS A 773 6.760 -9.066 -4.568 1.00 2.34 H new ATOM 0 HG CYS A 773 8.645 -9.003 -1.710 1.00 22.01 H new ATOM 1047 N ALA A 774 4.511 -9.928 -0.961 1.00 55.54 N ATOM 1048 CA ALA A 774 4.292 -10.544 0.339 1.00 41.31 C ATOM 1049 C ALA A 774 3.836 -11.988 0.189 1.00 10.12 C ATOM 1050 O ALA A 774 3.136 -12.328 -0.761 1.00 73.13 O ATOM 1051 CB ALA A 774 3.272 -9.747 1.137 1.00 35.33 C ATOM 0 H ALA A 774 3.680 -9.875 -1.550 1.00 55.54 H new ATOM 0 HA ALA A 774 5.239 -10.542 0.879 1.00 41.31 H new ATOM 0 HB1 ALA A 774 3.119 -10.220 2.107 1.00 35.33 H new ATOM 0 HB2 ALA A 774 3.638 -8.731 1.283 1.00 35.33 H new ATOM 0 HB3 ALA A 774 2.327 -9.718 0.594 1.00 35.33 H new ATOM 1057 N HIS A 775 4.221 -12.829 1.142 1.00 73.34 N ATOM 1058 CA HIS A 775 3.895 -14.258 1.100 1.00 73.45 C ATOM 1059 C HIS A 775 2.434 -14.521 1.484 1.00 43.02 C ATOM 1060 O HIS A 775 2.046 -15.658 1.754 1.00 43.04 O ATOM 1061 CB HIS A 775 4.838 -15.058 2.013 1.00 50.13 C ATOM 1062 CG HIS A 775 4.669 -14.795 3.483 1.00 22.44 C ATOM 1063 ND1 HIS A 775 4.139 -15.720 4.355 1.00 52.53 N ATOM 1064 CD2 HIS A 775 4.983 -13.714 4.237 1.00 1.44 C ATOM 1065 CE1 HIS A 775 4.132 -15.222 5.575 1.00 70.53 C ATOM 1066 NE2 HIS A 775 4.639 -14.006 5.532 1.00 21.34 N ATOM 0 H HIS A 775 4.763 -12.548 1.959 1.00 73.34 H new ATOM 0 HA HIS A 775 4.033 -14.591 0.071 1.00 73.45 H new ATOM 0 HB2 HIS A 775 4.683 -16.121 1.829 1.00 50.13 H new ATOM 0 HB3 HIS A 775 5.867 -14.833 1.734 1.00 50.13 H new ATOM 0 HD1 HIS A 775 3.803 -16.648 4.096 1.00 52.53 H new ATOM 0 HD2 HIS A 775 5.423 -12.793 3.884 1.00 1.44 H new ATOM 0 HE1 HIS A 775 3.772 -15.725 6.460 1.00 70.53 H new ATOM 1075 N SER A 776 1.638 -13.465 1.520 1.00 22.02 N ATOM 1076 CA SER A 776 0.210 -13.577 1.760 1.00 15.21 C ATOM 1077 C SER A 776 -0.510 -12.440 1.046 1.00 62.21 C ATOM 1078 O SER A 776 -0.057 -11.295 1.081 1.00 43.05 O ATOM 1079 CB SER A 776 -0.090 -13.546 3.262 1.00 35.40 C ATOM 1080 OG SER A 776 0.573 -14.605 3.936 1.00 25.34 O ATOM 0 H SER A 776 1.963 -12.508 1.384 1.00 22.02 H new ATOM 0 HA SER A 776 -0.146 -14.530 1.369 1.00 15.21 H new ATOM 0 HB2 SER A 776 0.226 -12.590 3.680 1.00 35.40 H new ATOM 0 HB3 SER A 776 -1.165 -13.624 3.423 1.00 35.40 H new ATOM 0 HG SER A 776 0.367 -14.563 4.893 1.00 25.34 H new ATOM 1086 N LYS A 777 -1.621 -12.762 0.395 1.00 43.34 N ATOM 1087 CA LYS A 777 -2.348 -11.798 -0.424 1.00 41.12 C ATOM 1088 C LYS A 777 -2.855 -10.624 0.415 1.00 65.45 C ATOM 1089 O LYS A 777 -2.779 -9.470 -0.012 1.00 40.51 O ATOM 1090 CB LYS A 777 -3.505 -12.501 -1.144 1.00 34.35 C ATOM 1091 CG LYS A 777 -4.234 -11.633 -2.159 1.00 60.23 C ATOM 1092 CD LYS A 777 -5.466 -10.965 -1.566 1.00 60.53 C ATOM 1093 CE LYS A 777 -6.473 -11.994 -1.075 1.00 75.11 C ATOM 1094 NZ LYS A 777 -7.786 -11.382 -0.740 1.00 63.10 N ATOM 0 H LYS A 777 -2.041 -13.691 0.419 1.00 43.34 H new ATOM 0 HA LYS A 777 -1.665 -11.389 -1.168 1.00 41.12 H new ATOM 0 HB2 LYS A 777 -3.118 -13.385 -1.651 1.00 34.35 H new ATOM 0 HB3 LYS A 777 -4.222 -12.849 -0.400 1.00 34.35 H new ATOM 0 HG2 LYS A 777 -3.554 -10.869 -2.535 1.00 60.23 H new ATOM 0 HG3 LYS A 777 -4.529 -12.244 -3.012 1.00 60.23 H new ATOM 0 HD2 LYS A 777 -5.169 -10.320 -0.739 1.00 60.53 H new ATOM 0 HD3 LYS A 777 -5.932 -10.327 -2.316 1.00 60.53 H new ATOM 0 HE2 LYS A 777 -6.615 -12.756 -1.842 1.00 75.11 H new ATOM 0 HE3 LYS A 777 -6.074 -12.498 -0.195 1.00 75.11 H new ATOM 0 HZ1 LYS A 777 -8.439 -12.121 -0.410 1.00 63.10 H new ATOM 0 HZ2 LYS A 777 -7.657 -10.674 0.010 1.00 63.10 H new ATOM 0 HZ3 LYS A 777 -8.181 -10.923 -1.586 1.00 63.10 H new ATOM 1108 N LYS A 778 -3.346 -10.914 1.617 1.00 60.51 N ATOM 1109 CA LYS A 778 -3.847 -9.864 2.500 1.00 35.41 C ATOM 1110 C LYS A 778 -2.704 -8.959 2.952 1.00 3.21 C ATOM 1111 O LYS A 778 -2.898 -7.767 3.211 1.00 13.23 O ATOM 1112 CB LYS A 778 -4.562 -10.460 3.719 1.00 63.41 C ATOM 1113 CG LYS A 778 -3.662 -11.288 4.626 1.00 65.24 C ATOM 1114 CD LYS A 778 -4.411 -11.779 5.852 1.00 51.30 C ATOM 1115 CE LYS A 778 -3.523 -12.629 6.745 1.00 30.11 C ATOM 1116 NZ LYS A 778 -4.204 -12.999 8.012 1.00 50.34 N ATOM 0 H LYS A 778 -3.408 -11.858 1.999 1.00 60.51 H new ATOM 0 HA LYS A 778 -4.569 -9.270 1.939 1.00 35.41 H new ATOM 0 HB2 LYS A 778 -5.000 -9.650 4.302 1.00 63.41 H new ATOM 0 HB3 LYS A 778 -5.385 -11.085 3.374 1.00 63.41 H new ATOM 0 HG2 LYS A 778 -3.270 -12.141 4.072 1.00 65.24 H new ATOM 0 HG3 LYS A 778 -2.806 -10.689 4.937 1.00 65.24 H new ATOM 0 HD2 LYS A 778 -4.786 -10.925 6.417 1.00 51.30 H new ATOM 0 HD3 LYS A 778 -5.279 -12.361 5.541 1.00 51.30 H new ATOM 0 HE2 LYS A 778 -3.232 -13.534 6.212 1.00 30.11 H new ATOM 0 HE3 LYS A 778 -2.607 -12.083 6.971 1.00 30.11 H new ATOM 0 HZ1 LYS A 778 -3.565 -13.578 8.593 1.00 50.34 H new ATOM 0 HZ2 LYS A 778 -4.460 -12.136 8.534 1.00 50.34 H new ATOM 0 HZ3 LYS A 778 -5.065 -13.542 7.798 1.00 50.34 H new ATOM 1130 N GLN A 779 -1.509 -9.528 3.028 1.00 75.14 N ATOM 1131 CA GLN A 779 -0.330 -8.771 3.412 1.00 63.45 C ATOM 1132 C GLN A 779 0.113 -7.880 2.264 1.00 50.44 C ATOM 1133 O GLN A 779 0.517 -6.748 2.483 1.00 72.54 O ATOM 1134 CB GLN A 779 0.811 -9.701 3.822 1.00 43.24 C ATOM 1135 CG GLN A 779 0.520 -10.514 5.071 1.00 24.43 C ATOM 1136 CD GLN A 779 1.683 -11.398 5.473 1.00 44.15 C ATOM 1137 OE1 GLN A 779 2.449 -11.860 4.628 1.00 75.54 O ATOM 1138 NE2 GLN A 779 1.824 -11.636 6.767 1.00 2.55 N ATOM 0 H GLN A 779 -1.332 -10.512 2.828 1.00 75.14 H new ATOM 0 HA GLN A 779 -0.589 -8.151 4.270 1.00 63.45 H new ATOM 0 HB2 GLN A 779 1.026 -10.382 2.998 1.00 43.24 H new ATOM 0 HB3 GLN A 779 1.710 -9.107 3.988 1.00 43.24 H new ATOM 0 HG2 GLN A 779 0.281 -9.839 5.892 1.00 24.43 H new ATOM 0 HG3 GLN A 779 -0.361 -11.133 4.900 1.00 24.43 H new ATOM 0 HE21 GLN A 779 1.166 -11.233 7.434 1.00 2.55 H new ATOM 0 HE22 GLN A 779 2.591 -12.222 7.097 1.00 2.55 H new ATOM 1147 N GLY A 780 0.011 -8.393 1.040 1.00 53.12 N ATOM 1148 CA GLY A 780 0.404 -7.631 -0.134 1.00 65.02 C ATOM 1149 C GLY A 780 -0.268 -6.274 -0.193 1.00 53.31 C ATOM 1150 O GLY A 780 0.379 -5.264 -0.461 1.00 3.30 O ATOM 0 H GLY A 780 -0.339 -9.330 0.840 1.00 53.12 H new ATOM 0 HA2 GLY A 780 1.486 -7.498 -0.132 1.00 65.02 H new ATOM 0 HA3 GLY A 780 0.154 -8.197 -1.032 1.00 65.02 H new ATOM 1154 N LYS A 781 -1.568 -6.256 0.077 1.00 24.52 N ATOM 1155 CA LYS A 781 -2.329 -5.011 0.117 1.00 22.14 C ATOM 1156 C LYS A 781 -1.804 -4.094 1.220 1.00 23.13 C ATOM 1157 O LYS A 781 -1.587 -2.902 1.003 1.00 71.35 O ATOM 1158 CB LYS A 781 -3.810 -5.308 0.361 1.00 61.34 C ATOM 1159 CG LYS A 781 -4.434 -6.241 -0.666 1.00 41.14 C ATOM 1160 CD LYS A 781 -5.836 -6.662 -0.249 1.00 24.15 C ATOM 1161 CE LYS A 781 -6.796 -5.483 -0.211 1.00 52.12 C ATOM 1162 NZ LYS A 781 -7.169 -5.021 -1.573 1.00 14.20 N ATOM 0 H LYS A 781 -2.119 -7.092 0.272 1.00 24.52 H new ATOM 0 HA LYS A 781 -2.213 -4.509 -0.843 1.00 22.14 H new ATOM 0 HB2 LYS A 781 -3.923 -5.748 1.352 1.00 61.34 H new ATOM 0 HB3 LYS A 781 -4.362 -4.368 0.365 1.00 61.34 H new ATOM 0 HG2 LYS A 781 -4.474 -5.744 -1.635 1.00 41.14 H new ATOM 0 HG3 LYS A 781 -3.807 -7.125 -0.786 1.00 41.14 H new ATOM 0 HD2 LYS A 781 -6.211 -7.413 -0.944 1.00 24.15 H new ATOM 0 HD3 LYS A 781 -5.797 -7.130 0.735 1.00 24.15 H new ATOM 0 HE2 LYS A 781 -7.696 -5.767 0.334 1.00 52.12 H new ATOM 0 HE3 LYS A 781 -6.337 -4.660 0.337 1.00 52.12 H new ATOM 0 HZ1 LYS A 781 -7.863 -4.250 -1.500 1.00 14.20 H new ATOM 0 HZ2 LYS A 781 -6.321 -4.678 -2.068 1.00 14.20 H new ATOM 0 HZ3 LYS A 781 -7.584 -5.811 -2.106 1.00 14.20 H new ATOM 1176 N GLN A 782 -1.598 -4.666 2.399 1.00 44.13 N ATOM 1177 CA GLN A 782 -1.148 -3.901 3.558 1.00 22.24 C ATOM 1178 C GLN A 782 0.271 -3.375 3.367 1.00 64.42 C ATOM 1179 O GLN A 782 0.531 -2.197 3.599 1.00 54.20 O ATOM 1180 CB GLN A 782 -1.220 -4.756 4.818 1.00 3.43 C ATOM 1181 CG GLN A 782 -2.633 -5.153 5.202 1.00 74.22 C ATOM 1182 CD GLN A 782 -2.668 -6.091 6.390 1.00 40.51 C ATOM 1183 OE1 GLN A 782 -2.732 -5.657 7.539 1.00 22.14 O ATOM 1184 NE2 GLN A 782 -2.627 -7.386 6.119 1.00 40.24 N ATOM 0 H GLN A 782 -1.735 -5.660 2.580 1.00 44.13 H new ATOM 0 HA GLN A 782 -1.813 -3.044 3.665 1.00 22.24 H new ATOM 0 HB2 GLN A 782 -0.626 -5.658 4.670 1.00 3.43 H new ATOM 0 HB3 GLN A 782 -0.768 -4.209 5.645 1.00 3.43 H new ATOM 0 HG2 GLN A 782 -3.209 -4.257 5.433 1.00 74.22 H new ATOM 0 HG3 GLN A 782 -3.117 -5.632 4.351 1.00 74.22 H new ATOM 0 HE21 GLN A 782 -2.574 -7.703 5.151 1.00 40.24 H new ATOM 0 HE22 GLN A 782 -2.648 -8.067 6.878 1.00 40.24 H new ATOM 1193 N GLU A 783 1.177 -4.247 2.937 1.00 63.14 N ATOM 1194 CA GLU A 783 2.573 -3.874 2.733 1.00 61.42 C ATOM 1195 C GLU A 783 2.682 -2.755 1.707 1.00 73.12 C ATOM 1196 O GLU A 783 3.461 -1.814 1.880 1.00 34.34 O ATOM 1197 CB GLU A 783 3.394 -5.079 2.269 1.00 23.01 C ATOM 1198 CG GLU A 783 3.393 -6.246 3.246 1.00 71.32 C ATOM 1199 CD GLU A 783 3.953 -5.882 4.605 1.00 1.13 C ATOM 1200 OE1 GLU A 783 5.187 -5.735 4.722 1.00 21.22 O ATOM 1201 OE2 GLU A 783 3.165 -5.767 5.567 1.00 21.21 O ATOM 0 H GLU A 783 0.968 -5.222 2.722 1.00 63.14 H new ATOM 0 HA GLU A 783 2.969 -3.524 3.686 1.00 61.42 H new ATOM 0 HB2 GLU A 783 3.006 -5.422 1.310 1.00 23.01 H new ATOM 0 HB3 GLU A 783 4.423 -4.761 2.101 1.00 23.01 H new ATOM 0 HG2 GLU A 783 2.373 -6.611 3.366 1.00 71.32 H new ATOM 0 HG3 GLU A 783 3.977 -7.065 2.826 1.00 71.32 H new ATOM 1208 N ALA A 784 1.892 -2.859 0.643 1.00 21.25 N ATOM 1209 CA ALA A 784 1.871 -1.840 -0.394 1.00 24.04 C ATOM 1210 C ALA A 784 1.404 -0.510 0.176 1.00 53.21 C ATOM 1211 O ALA A 784 2.038 0.518 -0.033 1.00 55.55 O ATOM 1212 CB ALA A 784 0.974 -2.266 -1.549 1.00 11.51 C ATOM 0 H ALA A 784 1.258 -3.641 0.479 1.00 21.25 H new ATOM 0 HA ALA A 784 2.886 -1.718 -0.774 1.00 24.04 H new ATOM 0 HB1 ALA A 784 0.972 -1.490 -2.314 1.00 11.51 H new ATOM 0 HB2 ALA A 784 1.349 -3.196 -1.977 1.00 11.51 H new ATOM 0 HB3 ALA A 784 -0.042 -2.418 -1.184 1.00 11.51 H new ATOM 1218 N ALA A 785 0.310 -0.542 0.921 1.00 20.34 N ATOM 1219 CA ALA A 785 -0.243 0.665 1.514 1.00 70.30 C ATOM 1220 C ALA A 785 0.714 1.250 2.547 1.00 4.34 C ATOM 1221 O ALA A 785 0.891 2.466 2.626 1.00 3.11 O ATOM 1222 CB ALA A 785 -1.590 0.368 2.145 1.00 15.10 C ATOM 0 H ALA A 785 -0.213 -1.392 1.129 1.00 20.34 H new ATOM 0 HA ALA A 785 -0.381 1.404 0.725 1.00 70.30 H new ATOM 0 HB1 ALA A 785 -1.994 1.279 2.586 1.00 15.10 H new ATOM 0 HB2 ALA A 785 -2.276 -0.001 1.382 1.00 15.10 H new ATOM 0 HB3 ALA A 785 -1.470 -0.388 2.921 1.00 15.10 H new ATOM 1228 N ASP A 786 1.335 0.373 3.326 1.00 62.00 N ATOM 1229 CA ASP A 786 2.299 0.782 4.342 1.00 13.44 C ATOM 1230 C ASP A 786 3.469 1.509 3.697 1.00 62.31 C ATOM 1231 O ASP A 786 3.768 2.652 4.038 1.00 4.51 O ATOM 1232 CB ASP A 786 2.804 -0.439 5.119 1.00 15.30 C ATOM 1233 CG ASP A 786 3.790 -0.076 6.214 1.00 62.43 C ATOM 1234 OD1 ASP A 786 4.997 0.048 5.917 1.00 64.13 O ATOM 1235 OD2 ASP A 786 3.368 0.077 7.377 1.00 41.21 O ATOM 0 H ASP A 786 1.187 -0.635 3.273 1.00 62.00 H new ATOM 0 HA ASP A 786 1.803 1.460 5.037 1.00 13.44 H new ATOM 0 HB2 ASP A 786 1.954 -0.959 5.560 1.00 15.30 H new ATOM 0 HB3 ASP A 786 3.278 -1.134 4.426 1.00 15.30 H new ATOM 1240 N ALA A 787 4.109 0.850 2.740 1.00 54.31 N ATOM 1241 CA ALA A 787 5.254 1.424 2.051 1.00 41.12 C ATOM 1242 C ALA A 787 4.848 2.666 1.261 1.00 40.12 C ATOM 1243 O ALA A 787 5.640 3.593 1.104 1.00 74.22 O ATOM 1244 CB ALA A 787 5.898 0.393 1.139 1.00 12.12 C ATOM 0 H ALA A 787 3.853 -0.085 2.424 1.00 54.31 H new ATOM 0 HA ALA A 787 5.986 1.726 2.800 1.00 41.12 H new ATOM 0 HB1 ALA A 787 6.753 0.840 0.631 1.00 12.12 H new ATOM 0 HB2 ALA A 787 6.232 -0.459 1.731 1.00 12.12 H new ATOM 0 HB3 ALA A 787 5.171 0.058 0.399 1.00 12.12 H new ATOM 1250 N ALA A 788 3.610 2.687 0.778 1.00 72.43 N ATOM 1251 CA ALA A 788 3.089 3.851 0.076 1.00 63.13 C ATOM 1252 C ALA A 788 3.064 5.058 1.002 1.00 22.30 C ATOM 1253 O ALA A 788 3.514 6.141 0.629 1.00 52.12 O ATOM 1254 CB ALA A 788 1.699 3.576 -0.473 1.00 20.13 C ATOM 0 H ALA A 788 2.951 1.912 0.860 1.00 72.43 H new ATOM 0 HA ALA A 788 3.749 4.067 -0.764 1.00 63.13 H new ATOM 0 HB1 ALA A 788 1.332 4.461 -0.993 1.00 20.13 H new ATOM 0 HB2 ALA A 788 1.742 2.738 -1.169 1.00 20.13 H new ATOM 0 HB3 ALA A 788 1.025 3.332 0.348 1.00 20.13 H new ATOM 1260 N LEU A 789 2.560 4.861 2.218 1.00 51.35 N ATOM 1261 CA LEU A 789 2.519 5.925 3.206 1.00 62.02 C ATOM 1262 C LEU A 789 3.938 6.349 3.565 1.00 43.21 C ATOM 1263 O LEU A 789 4.198 7.523 3.797 1.00 21.53 O ATOM 1264 CB LEU A 789 1.755 5.478 4.460 1.00 3.01 C ATOM 1265 CG LEU A 789 0.318 5.013 4.218 1.00 65.34 C ATOM 1266 CD1 LEU A 789 -0.365 4.676 5.534 1.00 4.05 C ATOM 1267 CD2 LEU A 789 -0.468 6.073 3.465 1.00 33.21 C ATOM 0 H LEU A 789 2.175 3.972 2.539 1.00 51.35 H new ATOM 0 HA LEU A 789 1.991 6.778 2.780 1.00 62.02 H new ATOM 0 HB2 LEU A 789 2.308 4.666 4.932 1.00 3.01 H new ATOM 0 HB3 LEU A 789 1.737 6.306 5.169 1.00 3.01 H new ATOM 0 HG LEU A 789 0.349 4.111 3.607 1.00 65.34 H new ATOM 0 HD11 LEU A 789 -1.386 4.347 5.340 1.00 4.05 H new ATOM 0 HD12 LEU A 789 0.184 3.879 6.035 1.00 4.05 H new ATOM 0 HD13 LEU A 789 -0.383 5.560 6.171 1.00 4.05 H new ATOM 0 HD21 LEU A 789 -1.488 5.723 3.303 1.00 33.21 H new ATOM 0 HD22 LEU A 789 -0.489 6.994 4.048 1.00 33.21 H new ATOM 0 HD23 LEU A 789 0.008 6.264 2.503 1.00 33.21 H new ATOM 1279 N ARG A 790 4.856 5.383 3.577 1.00 60.51 N ATOM 1280 CA ARG A 790 6.277 5.667 3.797 1.00 71.31 C ATOM 1281 C ARG A 790 6.784 6.654 2.752 1.00 20.15 C ATOM 1282 O ARG A 790 7.474 7.618 3.082 1.00 3.10 O ATOM 1283 CB ARG A 790 7.110 4.378 3.739 1.00 32.55 C ATOM 1284 CG ARG A 790 7.225 3.622 5.058 1.00 5.53 C ATOM 1285 CD ARG A 790 5.919 3.625 5.829 1.00 64.35 C ATOM 1286 NE ARG A 790 5.815 2.502 6.755 1.00 31.52 N ATOM 1287 CZ ARG A 790 6.129 2.562 8.043 1.00 42.31 C ATOM 1288 NH1 ARG A 790 6.712 3.649 8.546 1.00 44.34 N ATOM 1289 NH2 ARG A 790 5.874 1.524 8.827 1.00 4.15 N ATOM 0 H ARG A 790 4.642 4.395 3.437 1.00 60.51 H new ATOM 0 HA ARG A 790 6.384 6.105 4.789 1.00 71.31 H new ATOM 0 HB2 ARG A 790 6.671 3.714 2.994 1.00 32.55 H new ATOM 0 HB3 ARG A 790 8.113 4.627 3.392 1.00 32.55 H new ATOM 0 HG2 ARG A 790 7.528 2.594 4.861 1.00 5.53 H new ATOM 0 HG3 ARG A 790 8.007 4.074 5.668 1.00 5.53 H new ATOM 0 HD2 ARG A 790 5.830 4.559 6.384 1.00 64.35 H new ATOM 0 HD3 ARG A 790 5.086 3.591 5.127 1.00 64.35 H new ATOM 0 HE ARG A 790 5.479 1.612 6.388 1.00 31.52 H new ATOM 0 HH11 ARG A 790 6.920 4.443 7.940 1.00 44.34 H new ATOM 0 HH12 ARG A 790 6.950 3.688 9.537 1.00 44.34 H new ATOM 0 HH21 ARG A 790 5.439 0.687 8.439 1.00 4.15 H new ATOM 0 HH22 ARG A 790 6.112 1.563 9.818 1.00 4.15 H new ATOM 1303 N VAL A 791 6.428 6.407 1.495 1.00 13.10 N ATOM 1304 CA VAL A 791 6.795 7.301 0.405 1.00 41.50 C ATOM 1305 C VAL A 791 6.185 8.681 0.622 1.00 33.12 C ATOM 1306 O VAL A 791 6.880 9.690 0.555 1.00 31.14 O ATOM 1307 CB VAL A 791 6.332 6.763 -0.968 1.00 40.35 C ATOM 1308 CG1 VAL A 791 6.788 7.683 -2.090 1.00 2.20 C ATOM 1309 CG2 VAL A 791 6.841 5.349 -1.197 1.00 70.54 C ATOM 0 H VAL A 791 5.885 5.593 1.207 1.00 13.10 H new ATOM 0 HA VAL A 791 7.883 7.366 0.402 1.00 41.50 H new ATOM 0 HB VAL A 791 5.242 6.736 -0.968 1.00 40.35 H new ATOM 0 HG11 VAL A 791 6.451 7.285 -3.047 1.00 2.20 H new ATOM 0 HG12 VAL A 791 6.364 8.676 -1.941 1.00 2.20 H new ATOM 0 HG13 VAL A 791 7.876 7.749 -2.087 1.00 2.20 H new ATOM 0 HG21 VAL A 791 6.502 4.993 -2.170 1.00 70.54 H new ATOM 0 HG22 VAL A 791 7.931 5.346 -1.169 1.00 70.54 H new ATOM 0 HG23 VAL A 791 6.456 4.693 -0.416 1.00 70.54 H new ATOM 1319 N LEU A 792 4.888 8.706 0.902 1.00 72.52 N ATOM 1320 CA LEU A 792 4.153 9.955 1.087 1.00 5.55 C ATOM 1321 C LEU A 792 4.737 10.764 2.239 1.00 4.11 C ATOM 1322 O LEU A 792 5.034 11.952 2.096 1.00 14.42 O ATOM 1323 CB LEU A 792 2.680 9.654 1.363 1.00 33.01 C ATOM 1324 CG LEU A 792 2.030 8.679 0.384 1.00 62.25 C ATOM 1325 CD1 LEU A 792 0.592 8.401 0.781 1.00 11.15 C ATOM 1326 CD2 LEU A 792 2.106 9.216 -1.037 1.00 44.33 C ATOM 0 H LEU A 792 4.317 7.867 1.007 1.00 72.52 H new ATOM 0 HA LEU A 792 4.240 10.543 0.173 1.00 5.55 H new ATOM 0 HB2 LEU A 792 2.589 9.249 2.371 1.00 33.01 H new ATOM 0 HB3 LEU A 792 2.123 10.591 1.345 1.00 33.01 H new ATOM 0 HG LEU A 792 2.579 7.738 0.421 1.00 62.25 H new ATOM 0 HD11 LEU A 792 0.147 7.704 0.071 1.00 11.15 H new ATOM 0 HD12 LEU A 792 0.568 7.966 1.780 1.00 11.15 H new ATOM 0 HD13 LEU A 792 0.027 9.333 0.778 1.00 11.15 H new ATOM 0 HD21 LEU A 792 1.638 8.507 -1.719 1.00 44.33 H new ATOM 0 HD22 LEU A 792 1.585 10.172 -1.093 1.00 44.33 H new ATOM 0 HD23 LEU A 792 3.150 9.355 -1.318 1.00 44.33 H new ATOM 1338 N ILE A 793 4.902 10.109 3.380 1.00 63.22 N ATOM 1339 CA ILE A 793 5.462 10.742 4.563 1.00 65.53 C ATOM 1340 C ILE A 793 6.879 11.236 4.287 1.00 5.03 C ATOM 1341 O ILE A 793 7.199 12.397 4.547 1.00 11.54 O ATOM 1342 CB ILE A 793 5.457 9.764 5.761 1.00 33.03 C ATOM 1343 CG1 ILE A 793 4.012 9.413 6.133 1.00 23.20 C ATOM 1344 CG2 ILE A 793 6.190 10.360 6.957 1.00 25.31 C ATOM 1345 CD1 ILE A 793 3.889 8.256 7.101 1.00 54.11 C ATOM 0 H ILE A 793 4.652 9.129 3.510 1.00 63.22 H new ATOM 0 HA ILE A 793 4.839 11.600 4.817 1.00 65.53 H new ATOM 0 HB ILE A 793 5.982 8.854 5.471 1.00 33.03 H new ATOM 0 HG12 ILE A 793 3.537 10.291 6.570 1.00 23.20 H new ATOM 0 HG13 ILE A 793 3.462 9.172 5.223 1.00 23.20 H new ATOM 0 HG21 ILE A 793 6.171 9.652 7.785 1.00 25.31 H new ATOM 0 HG22 ILE A 793 7.224 10.570 6.682 1.00 25.31 H new ATOM 0 HG23 ILE A 793 5.700 11.285 7.260 1.00 25.31 H new ATOM 0 HD11 ILE A 793 2.836 8.070 7.314 1.00 54.11 H new ATOM 0 HD12 ILE A 793 4.333 7.364 6.660 1.00 54.11 H new ATOM 0 HD13 ILE A 793 4.409 8.500 8.027 1.00 54.11 H new ATOM 1357 N GLY A 794 7.707 10.360 3.726 1.00 22.53 N ATOM 1358 CA GLY A 794 9.077 10.720 3.412 1.00 10.30 C ATOM 1359 C GLY A 794 9.167 11.852 2.407 1.00 22.21 C ATOM 1360 O GLY A 794 10.046 12.708 2.507 1.00 63.11 O ATOM 0 H GLY A 794 7.451 9.403 3.483 1.00 22.53 H new ATOM 0 HA2 GLY A 794 9.591 11.011 4.328 1.00 10.30 H new ATOM 0 HA3 GLY A 794 9.597 9.847 3.018 1.00 10.30 H new ATOM 1364 N GLU A 795 8.248 11.858 1.445 1.00 23.02 N ATOM 1365 CA GLU A 795 8.200 12.892 0.419 1.00 25.22 C ATOM 1366 C GLU A 795 7.869 14.242 1.049 1.00 43.12 C ATOM 1367 O GLU A 795 8.491 15.257 0.738 1.00 35.13 O ATOM 1368 CB GLU A 795 7.152 12.535 -0.640 1.00 45.31 C ATOM 1369 CG GLU A 795 7.140 13.459 -1.848 1.00 70.13 C ATOM 1370 CD GLU A 795 8.409 13.367 -2.668 1.00 45.33 C ATOM 1371 OE1 GLU A 795 8.505 12.468 -3.528 1.00 43.44 O ATOM 1372 OE2 GLU A 795 9.317 14.193 -2.461 1.00 61.22 O ATOM 0 H GLU A 795 7.520 11.149 1.356 1.00 23.02 H new ATOM 0 HA GLU A 795 9.177 12.957 -0.060 1.00 25.22 H new ATOM 0 HB2 GLU A 795 7.330 11.515 -0.980 1.00 45.31 H new ATOM 0 HB3 GLU A 795 6.165 12.550 -0.177 1.00 45.31 H new ATOM 0 HG2 GLU A 795 6.286 13.213 -2.479 1.00 70.13 H new ATOM 0 HG3 GLU A 795 7.003 14.487 -1.512 1.00 70.13 H new ATOM 1379 N ASN A 796 6.898 14.241 1.954 1.00 52.52 N ATOM 1380 CA ASN A 796 6.490 15.464 2.635 1.00 63.53 C ATOM 1381 C ASN A 796 7.607 15.985 3.536 1.00 50.35 C ATOM 1382 O ASN A 796 7.766 17.193 3.700 1.00 12.31 O ATOM 1383 CB ASN A 796 5.216 15.231 3.449 1.00 24.40 C ATOM 1384 CG ASN A 796 4.783 16.464 4.220 1.00 11.54 C ATOM 1385 OD1 ASN A 796 5.153 16.644 5.378 1.00 13.34 O ATOM 1386 ND2 ASN A 796 3.993 17.319 3.586 1.00 74.21 N ATOM 0 H ASN A 796 6.379 13.409 2.233 1.00 52.52 H new ATOM 0 HA ASN A 796 6.283 16.218 1.875 1.00 63.53 H new ATOM 0 HB2 ASN A 796 4.412 14.925 2.779 1.00 24.40 H new ATOM 0 HB3 ASN A 796 5.380 14.410 4.147 1.00 24.40 H new ATOM 0 HD21 ASN A 796 3.670 18.163 4.060 1.00 74.21 H new ATOM 0 HD22 ASN A 796 3.708 17.133 2.624 1.00 74.21 H new