USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 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+ -134:sc= -0.102 (180deg=-0.169) USER MOD Set 1.2: A 782 GLN : amide:sc= -0.955 X(o=-1.1,f=-1.5) USER MOD Set 2.1: A 760 TYR OH : rot 180:sc= 0.282 USER MOD Set 2.2: A 777 LYS NZ :NH3+ 141:sc= 0.42 (180deg=-0.375) USER MOD Set 3.1: A 775 HIS : no HD1:sc= 0 K(o=0,f=-0.55) USER MOD Set 3.2: A 776 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 779 GLN : amide:sc= 0 K(o=0,f=0.62) USER MOD Single : A 722 TYR OH : rot 1:sc= 1.04 USER MOD Single : A 724 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 725 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 726 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.96) 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= -0.0804 X(o=-0.08,f=-0.17) USER MOD Single : A 745 LYS NZ :NH3+ -153:sc= -1.41! (180deg=-2.79!) USER MOD Single : A 749 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.26) USER MOD Single : A 750 SER OG : rot 180:sc= 0 USER MOD Single : A 754 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-2.1!) USER MOD Single : A 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 761 GLN : amide:sc= -3.37! C(o=-3.4!,f=-2.1!) USER MOD Single : A 763 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 CYS SG : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ -139:sc= -1.22 (180deg=-3.66!) USER MOD Single : A 796 ASN : amide:sc= -2.11! C(o=-2.1!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 147 N ILE A 716 0.506 14.960 7.247 1.00 75.52 N ATOM 148 CA ILE A 716 1.254 13.725 7.096 1.00 50.51 C ATOM 149 C ILE A 716 1.205 12.900 8.375 1.00 61.25 C ATOM 150 O ILE A 716 1.311 11.673 8.342 1.00 12.02 O ATOM 151 CB ILE A 716 2.711 14.031 6.697 1.00 3.51 C ATOM 152 CG1 ILE A 716 2.733 14.781 5.361 1.00 51.25 C ATOM 153 CG2 ILE A 716 3.542 12.763 6.611 1.00 30.30 C ATOM 154 CD1 ILE A 716 2.099 14.017 4.215 1.00 74.53 C ATOM 0 HA ILE A 716 0.793 13.137 6.302 1.00 50.51 H new ATOM 0 HB ILE A 716 3.154 14.659 7.470 1.00 3.51 H new ATOM 0 HG12 ILE A 716 2.214 15.732 5.481 1.00 51.25 H new ATOM 0 HG13 ILE A 716 3.766 15.012 5.103 1.00 51.25 H new ATOM 0 HG21 ILE A 716 4.564 13.016 6.327 1.00 30.30 H new ATOM 0 HG22 ILE A 716 3.547 12.265 7.581 1.00 30.30 H new ATOM 0 HG23 ILE A 716 3.112 12.096 5.863 1.00 30.30 H new ATOM 0 HD11 ILE A 716 2.154 14.614 3.305 1.00 74.53 H new ATOM 0 HD12 ILE A 716 2.631 13.078 4.065 1.00 74.53 H new ATOM 0 HD13 ILE A 716 1.055 13.809 4.450 1.00 74.53 H new ATOM 166 N GLY A 717 1.011 13.583 9.499 1.00 44.52 N ATOM 167 CA GLY A 717 0.840 12.901 10.770 1.00 13.22 C ATOM 168 C GLY A 717 -0.317 11.921 10.728 1.00 53.20 C ATOM 169 O GLY A 717 -0.348 10.946 11.479 1.00 21.14 O ATOM 0 H GLY A 717 0.969 14.601 9.552 1.00 44.52 H new ATOM 0 HA2 GLY A 717 1.757 12.371 11.025 1.00 13.22 H new ATOM 0 HA3 GLY A 717 0.667 13.635 11.557 1.00 13.22 H new ATOM 173 N GLU A 718 -1.265 12.184 9.834 1.00 53.11 N ATOM 174 CA GLU A 718 -2.385 11.284 9.612 1.00 43.04 C ATOM 175 C GLU A 718 -1.898 9.935 9.100 1.00 34.34 C ATOM 176 O GLU A 718 -2.253 8.899 9.645 1.00 62.11 O ATOM 177 CB GLU A 718 -3.374 11.891 8.616 1.00 3.35 C ATOM 178 CG GLU A 718 -4.120 13.096 9.159 1.00 34.12 C ATOM 179 CD GLU A 718 -4.991 12.746 10.348 1.00 3.23 C ATOM 180 OE1 GLU A 718 -4.483 12.775 11.487 1.00 22.24 O ATOM 181 OE2 GLU A 718 -6.190 12.444 10.144 1.00 35.52 O ATOM 0 H GLU A 718 -1.277 13.020 9.249 1.00 53.11 H new ATOM 0 HA GLU A 718 -2.892 11.135 10.566 1.00 43.04 H new ATOM 0 HB2 GLU A 718 -2.836 12.183 7.714 1.00 3.35 H new ATOM 0 HB3 GLU A 718 -4.096 11.129 8.323 1.00 3.35 H new ATOM 0 HG2 GLU A 718 -3.403 13.863 9.450 1.00 34.12 H new ATOM 0 HG3 GLU A 718 -4.740 13.522 8.370 1.00 34.12 H new ATOM 188 N LEU A 719 -1.052 9.954 8.078 1.00 0.13 N ATOM 189 CA LEU A 719 -0.579 8.719 7.454 1.00 1.13 C ATOM 190 C LEU A 719 0.197 7.877 8.461 1.00 71.23 C ATOM 191 O LEU A 719 0.170 6.647 8.414 1.00 21.54 O ATOM 192 CB LEU A 719 0.299 9.014 6.227 1.00 23.54 C ATOM 193 CG LEU A 719 -0.403 9.687 5.035 1.00 71.24 C ATOM 194 CD1 LEU A 719 -1.773 9.075 4.792 1.00 62.12 C ATOM 195 CD2 LEU A 719 -0.516 11.191 5.233 1.00 41.41 C ATOM 0 H LEU A 719 -0.678 10.807 7.662 1.00 0.13 H new ATOM 0 HA LEU A 719 -1.453 8.160 7.120 1.00 1.13 H new ATOM 0 HB2 LEU A 719 1.125 9.651 6.542 1.00 23.54 H new ATOM 0 HB3 LEU A 719 0.734 8.075 5.883 1.00 23.54 H new ATOM 0 HG LEU A 719 0.212 9.511 4.152 1.00 71.24 H new ATOM 0 HD11 LEU A 719 -2.247 9.569 3.944 1.00 62.12 H new ATOM 0 HD12 LEU A 719 -1.664 8.012 4.578 1.00 62.12 H new ATOM 0 HD13 LEU A 719 -2.392 9.204 5.680 1.00 62.12 H new ATOM 0 HD21 LEU A 719 -1.017 11.635 4.372 1.00 41.41 H new ATOM 0 HD22 LEU A 719 -1.093 11.397 6.135 1.00 41.41 H new ATOM 0 HD23 LEU A 719 0.481 11.621 5.334 1.00 41.41 H new ATOM 207 N VAL A 720 0.862 8.553 9.385 1.00 73.03 N ATOM 208 CA VAL A 720 1.629 7.890 10.430 1.00 52.42 C ATOM 209 C VAL A 720 0.715 7.082 11.356 1.00 43.32 C ATOM 210 O VAL A 720 1.047 5.962 11.761 1.00 71.43 O ATOM 211 CB VAL A 720 2.434 8.915 11.256 1.00 30.04 C ATOM 212 CG1 VAL A 720 3.236 8.232 12.350 1.00 72.34 C ATOM 213 CG2 VAL A 720 3.350 9.728 10.355 1.00 62.24 C ATOM 0 H VAL A 720 0.886 9.572 9.433 1.00 73.03 H new ATOM 0 HA VAL A 720 2.324 7.206 9.942 1.00 52.42 H new ATOM 0 HB VAL A 720 1.723 9.591 11.732 1.00 30.04 H new ATOM 0 HG11 VAL A 720 3.792 8.980 12.914 1.00 72.34 H new ATOM 0 HG12 VAL A 720 2.559 7.701 13.020 1.00 72.34 H new ATOM 0 HG13 VAL A 720 3.933 7.523 11.902 1.00 72.34 H new ATOM 0 HG21 VAL A 720 3.909 10.445 10.956 1.00 62.24 H new ATOM 0 HG22 VAL A 720 4.046 9.061 9.846 1.00 62.24 H new ATOM 0 HG23 VAL A 720 2.753 10.262 9.616 1.00 62.24 H new ATOM 223 N ARG A 721 -0.454 7.638 11.673 1.00 33.23 N ATOM 224 CA ARG A 721 -1.399 6.954 12.553 1.00 53.15 C ATOM 225 C ARG A 721 -1.946 5.707 11.861 1.00 3.33 C ATOM 226 O ARG A 721 -2.343 4.741 12.513 1.00 0.51 O ATOM 227 CB ARG A 721 -2.551 7.884 12.970 1.00 50.31 C ATOM 228 CG ARG A 721 -3.687 7.966 11.960 1.00 1.30 C ATOM 229 CD ARG A 721 -4.758 8.956 12.385 1.00 1.15 C ATOM 230 NE ARG A 721 -5.891 8.962 11.459 1.00 12.02 N ATOM 231 CZ ARG A 721 -7.168 9.015 11.842 1.00 52.34 C ATOM 232 NH1 ARG A 721 -7.480 9.114 13.128 1.00 70.13 N ATOM 233 NH2 ARG A 721 -8.133 8.975 10.933 1.00 52.23 N ATOM 0 H ARG A 721 -0.766 8.549 11.338 1.00 33.23 H new ATOM 0 HA ARG A 721 -0.868 6.658 13.458 1.00 53.15 H new ATOM 0 HB2 ARG A 721 -2.952 7.541 13.924 1.00 50.31 H new ATOM 0 HB3 ARG A 721 -2.153 8.885 13.134 1.00 50.31 H new ATOM 0 HG2 ARG A 721 -3.288 8.259 10.989 1.00 1.30 H new ATOM 0 HG3 ARG A 721 -4.134 6.980 11.837 1.00 1.30 H new ATOM 0 HD2 ARG A 721 -5.108 8.705 13.386 1.00 1.15 H new ATOM 0 HD3 ARG A 721 -4.328 9.956 12.439 1.00 1.15 H new ATOM 0 HE ARG A 721 -5.692 8.923 10.459 1.00 12.02 H new ATOM 0 HH11 ARG A 721 -6.741 9.150 13.831 1.00 70.13 H new ATOM 0 HH12 ARG A 721 -8.458 9.154 13.414 1.00 70.13 H new ATOM 0 HH21 ARG A 721 -7.898 8.904 9.943 1.00 52.23 H new ATOM 0 HH22 ARG A 721 -9.110 9.015 11.224 1.00 52.23 H new ATOM 247 N TYR A 722 -1.950 5.728 10.534 1.00 14.45 N ATOM 248 CA TYR A 722 -2.431 4.595 9.761 1.00 35.32 C ATOM 249 C TYR A 722 -1.378 3.501 9.689 1.00 3.24 C ATOM 250 O TYR A 722 -1.715 2.329 9.601 1.00 32.45 O ATOM 251 CB TYR A 722 -2.855 5.031 8.361 1.00 74.44 C ATOM 252 CG TYR A 722 -4.114 5.868 8.355 1.00 71.21 C ATOM 253 CD1 TYR A 722 -5.362 5.280 8.516 1.00 52.41 C ATOM 254 CD2 TYR A 722 -4.054 7.242 8.189 1.00 34.03 C ATOM 255 CE1 TYR A 722 -6.515 6.042 8.511 1.00 51.44 C ATOM 256 CE2 TYR A 722 -5.197 8.012 8.183 1.00 64.00 C ATOM 257 CZ TYR A 722 -6.425 7.411 8.345 1.00 45.40 C ATOM 258 OH TYR A 722 -7.565 8.182 8.349 1.00 65.43 O ATOM 0 H TYR A 722 -1.626 6.516 9.974 1.00 14.45 H new ATOM 0 HA TYR A 722 -3.306 4.190 10.269 1.00 35.32 H new ATOM 0 HB2 TYR A 722 -2.046 5.600 7.904 1.00 74.44 H new ATOM 0 HB3 TYR A 722 -3.011 4.147 7.743 1.00 74.44 H new ATOM 0 HD1 TYR A 722 -5.433 4.210 8.647 1.00 52.41 H new ATOM 0 HD2 TYR A 722 -3.093 7.719 8.062 1.00 34.03 H new ATOM 0 HE1 TYR A 722 -7.479 5.571 8.636 1.00 51.44 H new ATOM 0 HE2 TYR A 722 -5.130 9.082 8.052 1.00 64.00 H new ATOM 0 HH TYR A 722 -8.347 7.608 8.487 1.00 65.43 H new ATOM 268 N LEU A 723 -0.107 3.881 9.742 1.00 2.11 N ATOM 269 CA LEU A 723 0.975 2.898 9.804 1.00 44.43 C ATOM 270 C LEU A 723 0.788 1.997 11.018 1.00 61.34 C ATOM 271 O LEU A 723 1.030 0.790 10.960 1.00 12.14 O ATOM 272 CB LEU A 723 2.337 3.588 9.888 1.00 64.34 C ATOM 273 CG LEU A 723 2.722 4.430 8.675 1.00 35.30 C ATOM 274 CD1 LEU A 723 4.064 5.102 8.909 1.00 70.31 C ATOM 275 CD2 LEU A 723 2.768 3.570 7.422 1.00 44.33 C ATOM 0 H LEU A 723 0.201 4.853 9.743 1.00 2.11 H new ATOM 0 HA LEU A 723 0.943 2.300 8.893 1.00 44.43 H new ATOM 0 HB2 LEU A 723 2.347 4.228 10.771 1.00 64.34 H new ATOM 0 HB3 LEU A 723 3.102 2.826 10.038 1.00 64.34 H new ATOM 0 HG LEU A 723 1.966 5.202 8.532 1.00 35.30 H new ATOM 0 HD11 LEU A 723 4.328 5.700 8.037 1.00 70.31 H new ATOM 0 HD12 LEU A 723 4.000 5.747 9.785 1.00 70.31 H new ATOM 0 HD13 LEU A 723 4.828 4.342 9.073 1.00 70.31 H new ATOM 0 HD21 LEU A 723 3.044 4.187 6.567 1.00 44.33 H new ATOM 0 HD22 LEU A 723 3.506 2.778 7.551 1.00 44.33 H new ATOM 0 HD23 LEU A 723 1.787 3.127 7.248 1.00 44.33 H new ATOM 287 N ASN A 724 0.352 2.605 12.115 1.00 72.30 N ATOM 288 CA ASN A 724 0.077 1.870 13.344 1.00 32.33 C ATOM 289 C ASN A 724 -1.289 1.189 13.285 1.00 32.44 C ATOM 290 O ASN A 724 -1.438 0.040 13.700 1.00 42.13 O ATOM 291 CB ASN A 724 0.143 2.816 14.547 1.00 65.15 C ATOM 292 CG ASN A 724 -0.296 2.152 15.842 1.00 64.44 C ATOM 293 OD1 ASN A 724 -1.467 2.225 16.224 1.00 53.54 O ATOM 294 ND2 ASN A 724 0.637 1.499 16.521 1.00 64.53 N ATOM 0 H ASN A 724 0.181 3.609 12.178 1.00 72.30 H new ATOM 0 HA ASN A 724 0.836 1.096 13.454 1.00 32.33 H new ATOM 0 HB2 ASN A 724 1.163 3.183 14.660 1.00 65.15 H new ATOM 0 HB3 ASN A 724 -0.489 3.684 14.356 1.00 65.15 H new ATOM 0 HD21 ASN A 724 0.398 1.032 17.396 1.00 64.53 H new ATOM 0 HD22 ASN A 724 1.594 1.464 16.169 1.00 64.53 H new ATOM 301 N THR A 725 -2.283 1.899 12.767 1.00 43.10 N ATOM 302 CA THR A 725 -3.643 1.377 12.716 1.00 41.12 C ATOM 303 C THR A 725 -3.847 0.452 11.512 1.00 31.41 C ATOM 304 O THR A 725 -3.778 -0.769 11.635 1.00 24.02 O ATOM 305 CB THR A 725 -4.673 2.520 12.665 1.00 52.55 C ATOM 306 OG1 THR A 725 -4.401 3.471 13.706 1.00 25.53 O ATOM 307 CG2 THR A 725 -6.086 1.983 12.827 1.00 61.33 C ATOM 0 H THR A 725 -2.174 2.835 12.377 1.00 43.10 H new ATOM 0 HA THR A 725 -3.795 0.799 13.628 1.00 41.12 H new ATOM 0 HB THR A 725 -4.593 3.007 11.693 1.00 52.55 H new ATOM 0 HG1 THR A 725 -3.592 3.978 13.483 1.00 25.53 H new ATOM 0 HG21 THR A 725 -6.796 2.809 12.788 1.00 61.33 H new ATOM 0 HG22 THR A 725 -6.302 1.280 12.023 1.00 61.33 H new ATOM 0 HG23 THR A 725 -6.174 1.474 13.787 1.00 61.33 H new ATOM 315 N ASN A 726 -4.087 1.040 10.351 1.00 23.13 N ATOM 316 CA ASN A 726 -4.316 0.274 9.133 1.00 13.51 C ATOM 317 C ASN A 726 -3.798 1.050 7.933 1.00 43.00 C ATOM 318 O ASN A 726 -4.403 2.039 7.515 1.00 50.32 O ATOM 319 CB ASN A 726 -5.803 -0.032 8.950 1.00 43.11 C ATOM 320 CG ASN A 726 -6.085 -0.800 7.669 1.00 50.23 C ATOM 321 OD1 ASN A 726 -5.269 -1.600 7.208 1.00 31.24 O ATOM 322 ND2 ASN A 726 -7.236 -0.542 7.074 1.00 25.32 N ATOM 0 H ASN A 726 -4.129 2.051 10.225 1.00 23.13 H new ATOM 0 HA ASN A 726 -3.780 -0.671 9.216 1.00 13.51 H new ATOM 0 HB2 ASN A 726 -6.159 -0.610 9.803 1.00 43.11 H new ATOM 0 HB3 ASN A 726 -6.365 0.902 8.941 1.00 43.11 H new ATOM 0 HD21 ASN A 726 -7.475 -1.012 6.201 1.00 25.32 H new ATOM 0 HD22 ASN A 726 -7.885 0.127 7.488 1.00 25.32 H new ATOM 329 N PRO A 727 -2.659 0.618 7.378 1.00 71.21 N ATOM 330 CA PRO A 727 -2.012 1.305 6.260 1.00 51.32 C ATOM 331 C PRO A 727 -2.923 1.419 5.045 1.00 52.32 C ATOM 332 O PRO A 727 -2.916 2.433 4.345 1.00 65.12 O ATOM 333 CB PRO A 727 -0.798 0.424 5.936 1.00 41.44 C ATOM 334 CG PRO A 727 -1.058 -0.880 6.608 1.00 61.53 C ATOM 335 CD PRO A 727 -1.904 -0.568 7.807 1.00 5.03 C ATOM 0 HA PRO A 727 -1.748 2.330 6.519 1.00 51.32 H new ATOM 0 HB2 PRO A 727 -0.684 0.294 4.860 1.00 41.44 H new ATOM 0 HB3 PRO A 727 0.124 0.877 6.302 1.00 41.44 H new ATOM 0 HG2 PRO A 727 -1.572 -1.569 5.937 1.00 61.53 H new ATOM 0 HG3 PRO A 727 -0.125 -1.359 6.903 1.00 61.53 H new ATOM 0 HD2 PRO A 727 -2.565 -1.397 8.062 1.00 5.03 H new ATOM 0 HD3 PRO A 727 -1.296 -0.363 8.688 1.00 5.03 H new ATOM 343 N VAL A 728 -3.724 0.383 4.818 1.00 24.35 N ATOM 344 CA VAL A 728 -4.606 0.334 3.659 1.00 20.24 C ATOM 345 C VAL A 728 -5.608 1.480 3.689 1.00 13.23 C ATOM 346 O VAL A 728 -5.764 2.205 2.706 1.00 32.12 O ATOM 347 CB VAL A 728 -5.365 -1.006 3.581 1.00 20.04 C ATOM 348 CG1 VAL A 728 -6.188 -1.087 2.305 1.00 4.55 C ATOM 349 CG2 VAL A 728 -4.395 -2.173 3.667 1.00 61.54 C ATOM 0 H VAL A 728 -3.780 -0.436 5.424 1.00 24.35 H new ATOM 0 HA VAL A 728 -3.976 0.430 2.775 1.00 20.24 H new ATOM 0 HB VAL A 728 -6.048 -1.062 4.429 1.00 20.04 H new ATOM 0 HG11 VAL A 728 -6.715 -2.041 2.272 1.00 4.55 H new ATOM 0 HG12 VAL A 728 -6.912 -0.272 2.286 1.00 4.55 H new ATOM 0 HG13 VAL A 728 -5.528 -1.006 1.441 1.00 4.55 H new ATOM 0 HG21 VAL A 728 -4.948 -3.111 3.610 1.00 61.54 H new ATOM 0 HG22 VAL A 728 -3.687 -2.119 2.840 1.00 61.54 H new ATOM 0 HG23 VAL A 728 -3.854 -2.127 4.612 1.00 61.54 H new ATOM 359 N GLY A 729 -6.260 1.658 4.833 1.00 42.40 N ATOM 360 CA GLY A 729 -7.237 2.717 4.975 1.00 2.25 C ATOM 361 C GLY A 729 -6.605 4.086 4.865 1.00 51.34 C ATOM 362 O GLY A 729 -7.249 5.041 4.430 1.00 34.24 O ATOM 0 H GLY A 729 -6.127 1.085 5.666 1.00 42.40 H new ATOM 0 HA2 GLY A 729 -8.004 2.609 4.208 1.00 2.25 H new ATOM 0 HA3 GLY A 729 -7.736 2.624 5.940 1.00 2.25 H new ATOM 366 N GLY A 730 -5.338 4.178 5.248 1.00 61.32 N ATOM 367 CA GLY A 730 -4.625 5.435 5.172 1.00 75.22 C ATOM 368 C GLY A 730 -4.304 5.828 3.750 1.00 12.25 C ATOM 369 O GLY A 730 -4.450 6.989 3.374 1.00 61.10 O ATOM 0 H GLY A 730 -4.790 3.398 5.612 1.00 61.32 H new ATOM 0 HA2 GLY A 730 -5.224 6.218 5.636 1.00 75.22 H new ATOM 0 HA3 GLY A 730 -3.700 5.360 5.743 1.00 75.22 H new ATOM 373 N LEU A 731 -3.872 4.857 2.963 1.00 43.20 N ATOM 374 CA LEU A 731 -3.560 5.092 1.561 1.00 4.54 C ATOM 375 C LEU A 731 -4.835 5.477 0.813 1.00 15.41 C ATOM 376 O LEU A 731 -4.829 6.382 -0.024 1.00 0.51 O ATOM 377 CB LEU A 731 -2.909 3.832 0.964 1.00 51.31 C ATOM 378 CG LEU A 731 -2.236 3.990 -0.409 1.00 51.41 C ATOM 379 CD1 LEU A 731 -3.255 3.913 -1.532 1.00 42.41 C ATOM 380 CD2 LEU A 731 -1.465 5.300 -0.480 1.00 35.45 C ATOM 0 H LEU A 731 -3.729 3.895 3.271 1.00 43.20 H new ATOM 0 HA LEU A 731 -2.852 5.915 1.464 1.00 4.54 H new ATOM 0 HB2 LEU A 731 -2.162 3.467 1.669 1.00 51.31 H new ATOM 0 HB3 LEU A 731 -3.674 3.060 0.882 1.00 51.31 H new ATOM 0 HG LEU A 731 -1.534 3.165 -0.534 1.00 51.41 H new ATOM 0 HD11 LEU A 731 -2.749 4.028 -2.491 1.00 42.41 H new ATOM 0 HD12 LEU A 731 -3.758 2.947 -1.501 1.00 42.41 H new ATOM 0 HD13 LEU A 731 -3.990 4.709 -1.412 1.00 42.41 H new ATOM 0 HD21 LEU A 731 -0.996 5.393 -1.459 1.00 35.45 H new ATOM 0 HD22 LEU A 731 -2.149 6.134 -0.325 1.00 35.45 H new ATOM 0 HD23 LEU A 731 -0.697 5.312 0.293 1.00 35.45 H new ATOM 392 N LEU A 732 -5.929 4.801 1.146 1.00 33.11 N ATOM 393 CA LEU A 732 -7.231 5.111 0.567 1.00 24.10 C ATOM 394 C LEU A 732 -7.664 6.527 0.940 1.00 55.13 C ATOM 395 O LEU A 732 -8.133 7.286 0.094 1.00 35.30 O ATOM 396 CB LEU A 732 -8.279 4.103 1.046 1.00 15.20 C ATOM 397 CG LEU A 732 -8.030 2.650 0.634 1.00 1.41 C ATOM 398 CD1 LEU A 732 -9.048 1.730 1.285 1.00 1.00 C ATOM 399 CD2 LEU A 732 -8.080 2.508 -0.880 1.00 4.22 C ATOM 0 H LEU A 732 -5.940 4.032 1.816 1.00 33.11 H new ATOM 0 HA LEU A 732 -7.145 5.047 -0.518 1.00 24.10 H new ATOM 0 HB2 LEU A 732 -8.333 4.150 2.134 1.00 15.20 H new ATOM 0 HB3 LEU A 732 -9.253 4.409 0.665 1.00 15.20 H new ATOM 0 HG LEU A 732 -7.036 2.363 0.975 1.00 1.41 H new ATOM 0 HD11 LEU A 732 -8.856 0.701 0.981 1.00 1.00 H new ATOM 0 HD12 LEU A 732 -8.969 1.809 2.369 1.00 1.00 H new ATOM 0 HD13 LEU A 732 -10.052 2.019 0.973 1.00 1.00 H new ATOM 0 HD21 LEU A 732 -7.901 1.468 -1.154 1.00 4.22 H new ATOM 0 HD22 LEU A 732 -9.061 2.815 -1.242 1.00 4.22 H new ATOM 0 HD23 LEU A 732 -7.314 3.139 -1.330 1.00 4.22 H new ATOM 411 N GLU A 733 -7.478 6.883 2.208 1.00 21.04 N ATOM 412 CA GLU A 733 -7.859 8.173 2.723 1.00 31.33 C ATOM 413 C GLU A 733 -7.022 9.280 2.082 1.00 12.43 C ATOM 414 O GLU A 733 -7.549 10.323 1.695 1.00 53.52 O ATOM 415 CB GLU A 733 -7.665 8.118 4.232 1.00 21.23 C ATOM 416 CG GLU A 733 -7.644 9.452 4.920 1.00 33.43 C ATOM 417 CD GLU A 733 -9.026 10.016 5.191 1.00 33.00 C ATOM 418 OE1 GLU A 733 -9.875 9.280 5.740 1.00 42.51 O ATOM 419 OE2 GLU A 733 -9.266 11.198 4.864 1.00 40.30 O ATOM 0 H GLU A 733 -7.054 6.271 2.905 1.00 21.04 H new ATOM 0 HA GLU A 733 -8.898 8.403 2.486 1.00 31.33 H new ATOM 0 HB2 GLU A 733 -8.465 7.516 4.664 1.00 21.23 H new ATOM 0 HB3 GLU A 733 -6.728 7.602 4.444 1.00 21.23 H new ATOM 0 HG2 GLU A 733 -7.108 9.356 5.864 1.00 33.43 H new ATOM 0 HG3 GLU A 733 -7.086 10.159 4.307 1.00 33.43 H new ATOM 426 N TYR A 734 -5.722 9.035 1.953 1.00 53.03 N ATOM 427 CA TYR A 734 -4.828 9.974 1.298 1.00 72.24 C ATOM 428 C TYR A 734 -5.290 10.238 -0.129 1.00 2.25 C ATOM 429 O TYR A 734 -5.459 11.387 -0.533 1.00 40.04 O ATOM 430 CB TYR A 734 -3.392 9.434 1.300 1.00 55.13 C ATOM 431 CG TYR A 734 -2.483 10.104 0.292 1.00 53.24 C ATOM 432 CD1 TYR A 734 -1.809 11.281 0.595 1.00 12.13 C ATOM 433 CD2 TYR A 734 -2.313 9.558 -0.971 1.00 22.04 C ATOM 434 CE1 TYR A 734 -0.989 11.889 -0.336 1.00 73.41 C ATOM 435 CE2 TYR A 734 -1.497 10.161 -1.908 1.00 51.12 C ATOM 436 CZ TYR A 734 -0.836 11.326 -1.585 1.00 43.22 C ATOM 437 OH TYR A 734 -0.025 11.936 -2.517 1.00 31.11 O ATOM 0 H TYR A 734 -5.266 8.190 2.296 1.00 53.03 H new ATOM 0 HA TYR A 734 -4.848 10.914 1.850 1.00 72.24 H new ATOM 0 HB2 TYR A 734 -2.968 9.560 2.296 1.00 55.13 H new ATOM 0 HB3 TYR A 734 -3.417 8.363 1.097 1.00 55.13 H new ATOM 0 HD1 TYR A 734 -1.928 11.727 1.572 1.00 12.13 H new ATOM 0 HD2 TYR A 734 -2.828 8.644 -1.227 1.00 22.04 H new ATOM 0 HE1 TYR A 734 -0.470 12.802 -0.086 1.00 73.41 H new ATOM 0 HE2 TYR A 734 -1.378 9.722 -2.888 1.00 51.12 H new ATOM 0 HH TYR A 734 -0.025 11.411 -3.344 1.00 31.11 H new ATOM 447 N ALA A 735 -5.510 9.169 -0.879 1.00 25.35 N ATOM 448 CA ALA A 735 -5.893 9.286 -2.275 1.00 10.20 C ATOM 449 C ALA A 735 -7.246 9.967 -2.410 1.00 51.24 C ATOM 450 O ALA A 735 -7.381 10.952 -3.132 1.00 10.31 O ATOM 451 CB ALA A 735 -5.923 7.918 -2.930 1.00 61.30 C ATOM 0 H ALA A 735 -5.429 8.210 -0.542 1.00 25.35 H new ATOM 0 HA ALA A 735 -5.150 9.901 -2.782 1.00 10.20 H new ATOM 0 HB1 ALA A 735 -6.212 8.022 -3.976 1.00 61.30 H new ATOM 0 HB2 ALA A 735 -4.934 7.464 -2.870 1.00 61.30 H new ATOM 0 HB3 ALA A 735 -6.645 7.284 -2.415 1.00 61.30 H new ATOM 457 N ARG A 736 -8.228 9.462 -1.678 1.00 71.12 N ATOM 458 CA ARG A 736 -9.600 9.935 -1.797 1.00 34.13 C ATOM 459 C ARG A 736 -9.711 11.419 -1.450 1.00 53.22 C ATOM 460 O ARG A 736 -10.489 12.150 -2.060 1.00 75.04 O ATOM 461 CB ARG A 736 -10.521 9.102 -0.898 1.00 33.40 C ATOM 462 CG ARG A 736 -10.518 9.514 0.564 1.00 52.42 C ATOM 463 CD ARG A 736 -11.445 8.641 1.391 1.00 34.54 C ATOM 464 NE ARG A 736 -12.837 8.726 0.947 1.00 23.44 N ATOM 465 CZ ARG A 736 -13.879 8.382 1.706 1.00 61.34 C ATOM 466 NH1 ARG A 736 -13.693 7.948 2.945 1.00 43.32 N ATOM 467 NH2 ARG A 736 -15.113 8.478 1.230 1.00 44.10 N ATOM 0 H ARG A 736 -8.099 8.720 -0.991 1.00 71.12 H new ATOM 0 HA ARG A 736 -9.912 9.816 -2.835 1.00 34.13 H new ATOM 0 HB2 ARG A 736 -11.540 9.172 -1.280 1.00 33.40 H new ATOM 0 HB3 ARG A 736 -10.225 8.055 -0.968 1.00 33.40 H new ATOM 0 HG2 ARG A 736 -9.505 9.447 0.960 1.00 52.42 H new ATOM 0 HG3 ARG A 736 -10.825 10.556 0.650 1.00 52.42 H new ATOM 0 HD2 ARG A 736 -11.111 7.605 1.333 1.00 34.54 H new ATOM 0 HD3 ARG A 736 -11.382 8.939 2.438 1.00 34.54 H new ATOM 0 HE ARG A 736 -13.021 9.068 0.004 1.00 23.44 H new ATOM 0 HH11 ARG A 736 -12.749 7.875 3.324 1.00 43.32 H new ATOM 0 HH12 ARG A 736 -14.494 7.687 3.520 1.00 43.32 H new ATOM 0 HH21 ARG A 736 -15.268 8.816 0.280 1.00 44.10 H new ATOM 0 HH22 ARG A 736 -15.907 8.214 1.814 1.00 44.10 H new ATOM 481 N SER A 737 -8.919 11.860 -0.485 1.00 4.31 N ATOM 482 CA SER A 737 -8.970 13.242 -0.034 1.00 14.24 C ATOM 483 C SER A 737 -8.133 14.149 -0.936 1.00 3.31 C ATOM 484 O SER A 737 -8.406 15.344 -1.052 1.00 15.24 O ATOM 485 CB SER A 737 -8.491 13.339 1.417 1.00 41.04 C ATOM 486 OG SER A 737 -8.843 14.583 1.995 1.00 43.10 O ATOM 0 H SER A 737 -8.234 11.281 0.001 1.00 4.31 H new ATOM 0 HA SER A 737 -10.004 13.581 -0.089 1.00 14.24 H new ATOM 0 HB2 SER A 737 -8.927 12.528 2.001 1.00 41.04 H new ATOM 0 HB3 SER A 737 -7.409 13.212 1.454 1.00 41.04 H new ATOM 0 HG SER A 737 -8.525 14.615 2.922 1.00 43.10 H new ATOM 492 N HIS A 738 -7.131 13.578 -1.596 1.00 1.22 N ATOM 493 CA HIS A 738 -6.241 14.362 -2.448 1.00 64.53 C ATOM 494 C HIS A 738 -6.689 14.326 -3.904 1.00 60.41 C ATOM 495 O HIS A 738 -6.068 14.944 -4.762 1.00 11.44 O ATOM 496 CB HIS A 738 -4.792 13.872 -2.332 1.00 13.41 C ATOM 497 CG HIS A 738 -4.134 14.231 -1.034 1.00 23.12 C ATOM 498 ND1 HIS A 738 -2.816 14.615 -0.933 1.00 73.32 N ATOM 499 CD2 HIS A 738 -4.626 14.255 0.224 1.00 72.43 C ATOM 500 CE1 HIS A 738 -2.528 14.860 0.333 1.00 21.32 C ATOM 501 NE2 HIS A 738 -3.611 14.653 1.061 1.00 54.34 N ATOM 0 H HIS A 738 -6.915 12.582 -1.559 1.00 1.22 H new ATOM 0 HA HIS A 738 -6.289 15.394 -2.100 1.00 64.53 H new ATOM 0 HB2 HIS A 738 -4.774 12.789 -2.450 1.00 13.41 H new ATOM 0 HB3 HIS A 738 -4.210 14.292 -3.152 1.00 13.41 H new ATOM 0 HD2 HIS A 738 -5.635 14.006 0.519 1.00 72.43 H new ATOM 0 HE1 HIS A 738 -1.567 15.177 0.710 1.00 21.32 H new ATOM 0 HE2 HIS A 738 -3.682 14.769 2.072 1.00 54.34 H new ATOM 510 N GLY A 739 -7.757 13.592 -4.181 1.00 34.12 N ATOM 511 CA GLY A 739 -8.322 13.576 -5.521 1.00 12.32 C ATOM 512 C GLY A 739 -7.880 12.372 -6.330 1.00 31.15 C ATOM 513 O GLY A 739 -8.365 12.150 -7.441 1.00 61.25 O ATOM 0 H GLY A 739 -8.245 13.006 -3.504 1.00 34.12 H new ATOM 0 HA2 GLY A 739 -9.410 13.582 -5.452 1.00 12.32 H new ATOM 0 HA3 GLY A 739 -8.031 14.487 -6.044 1.00 12.32 H new ATOM 517 N PHE A 740 -6.971 11.589 -5.770 1.00 14.25 N ATOM 518 CA PHE A 740 -6.452 10.413 -6.449 1.00 20.54 C ATOM 519 C PHE A 740 -7.402 9.235 -6.290 1.00 23.31 C ATOM 520 O PHE A 740 -8.322 9.270 -5.474 1.00 51.31 O ATOM 521 CB PHE A 740 -5.079 10.030 -5.892 1.00 42.04 C ATOM 522 CG PHE A 740 -4.031 11.093 -6.052 1.00 25.11 C ATOM 523 CD1 PHE A 740 -3.372 11.255 -7.257 1.00 51.44 C ATOM 524 CD2 PHE A 740 -3.699 11.921 -4.994 1.00 12.05 C ATOM 525 CE1 PHE A 740 -2.403 12.225 -7.406 1.00 30.23 C ATOM 526 CE2 PHE A 740 -2.729 12.893 -5.135 1.00 65.13 C ATOM 527 CZ PHE A 740 -2.080 13.045 -6.343 1.00 30.05 C ATOM 0 H PHE A 740 -6.576 11.748 -4.843 1.00 14.25 H new ATOM 0 HA PHE A 740 -6.357 10.657 -7.507 1.00 20.54 H new ATOM 0 HB2 PHE A 740 -5.182 9.794 -4.833 1.00 42.04 H new ATOM 0 HB3 PHE A 740 -4.738 9.122 -6.389 1.00 42.04 H new ATOM 0 HD1 PHE A 740 -3.619 10.615 -8.091 1.00 51.44 H new ATOM 0 HD2 PHE A 740 -4.205 11.805 -4.047 1.00 12.05 H new ATOM 0 HE1 PHE A 740 -1.897 12.343 -8.353 1.00 30.23 H new ATOM 0 HE2 PHE A 740 -2.479 13.533 -4.302 1.00 65.13 H new ATOM 0 HZ PHE A 740 -1.320 13.804 -6.457 1.00 30.05 H new ATOM 537 N ALA A 741 -7.170 8.195 -7.071 1.00 61.23 N ATOM 538 CA ALA A 741 -7.941 6.967 -6.964 1.00 73.00 C ATOM 539 C ALA A 741 -7.011 5.816 -6.623 1.00 14.22 C ATOM 540 O ALA A 741 -6.170 5.432 -7.441 1.00 53.23 O ATOM 541 CB ALA A 741 -8.694 6.693 -8.259 1.00 4.52 C ATOM 0 H ALA A 741 -6.448 8.176 -7.792 1.00 61.23 H new ATOM 0 HA ALA A 741 -8.678 7.073 -6.168 1.00 73.00 H new ATOM 0 HB1 ALA A 741 -9.265 5.770 -8.159 1.00 4.52 H new ATOM 0 HB2 ALA A 741 -9.374 7.520 -8.467 1.00 4.52 H new ATOM 0 HB3 ALA A 741 -7.983 6.593 -9.079 1.00 4.52 H new ATOM 547 N ALA A 742 -7.138 5.298 -5.412 1.00 31.14 N ATOM 548 CA ALA A 742 -6.246 4.254 -4.926 1.00 62.32 C ATOM 549 C ALA A 742 -6.715 2.868 -5.351 1.00 25.13 C ATOM 550 O ALA A 742 -7.892 2.522 -5.205 1.00 24.12 O ATOM 551 CB ALA A 742 -6.130 4.329 -3.414 1.00 22.41 C ATOM 0 H ALA A 742 -7.853 5.584 -4.744 1.00 31.14 H new ATOM 0 HA ALA A 742 -5.265 4.421 -5.371 1.00 62.32 H new ATOM 0 HB1 ALA A 742 -5.461 3.544 -3.061 1.00 22.41 H new ATOM 0 HB2 ALA A 742 -5.731 5.302 -3.128 1.00 22.41 H new ATOM 0 HB3 ALA A 742 -7.115 4.195 -2.966 1.00 22.41 H new ATOM 557 N GLU A 743 -5.784 2.083 -5.876 1.00 71.32 N ATOM 558 CA GLU A 743 -6.061 0.708 -6.270 1.00 72.02 C ATOM 559 C GLU A 743 -4.957 -0.223 -5.799 1.00 33.33 C ATOM 560 O GLU A 743 -3.780 0.136 -5.817 1.00 74.35 O ATOM 561 CB GLU A 743 -6.201 0.582 -7.789 1.00 33.33 C ATOM 562 CG GLU A 743 -7.516 1.100 -8.338 1.00 33.32 C ATOM 563 CD GLU A 743 -7.690 0.764 -9.803 1.00 34.25 C ATOM 564 OE1 GLU A 743 -7.735 -0.443 -10.140 1.00 73.23 O ATOM 565 OE2 GLU A 743 -7.768 1.697 -10.626 1.00 14.10 O ATOM 0 H GLU A 743 -4.822 2.379 -6.040 1.00 71.32 H new ATOM 0 HA GLU A 743 -7.003 0.424 -5.800 1.00 72.02 H new ATOM 0 HB2 GLU A 743 -5.383 1.124 -8.264 1.00 33.33 H new ATOM 0 HB3 GLU A 743 -6.092 -0.466 -8.067 1.00 33.33 H new ATOM 0 HG2 GLU A 743 -8.341 0.673 -7.768 1.00 33.32 H new ATOM 0 HG3 GLU A 743 -7.564 2.181 -8.206 1.00 33.32 H new ATOM 572 N PHE A 744 -5.349 -1.418 -5.388 1.00 33.31 N ATOM 573 CA PHE A 744 -4.406 -2.449 -4.989 1.00 20.14 C ATOM 574 C PHE A 744 -4.573 -3.654 -5.896 1.00 50.45 C ATOM 575 O PHE A 744 -5.516 -4.431 -5.738 1.00 44.14 O ATOM 576 CB PHE A 744 -4.633 -2.865 -3.534 1.00 30.23 C ATOM 577 CG PHE A 744 -4.379 -1.772 -2.538 1.00 62.10 C ATOM 578 CD1 PHE A 744 -5.386 -0.889 -2.180 1.00 11.33 C ATOM 579 CD2 PHE A 744 -3.133 -1.632 -1.954 1.00 35.34 C ATOM 580 CE1 PHE A 744 -5.150 0.116 -1.261 1.00 45.21 C ATOM 581 CE2 PHE A 744 -2.892 -0.633 -1.037 1.00 62.33 C ATOM 582 CZ PHE A 744 -3.901 0.242 -0.689 1.00 14.42 C ATOM 0 H PHE A 744 -6.327 -1.700 -5.322 1.00 33.31 H new ATOM 0 HA PHE A 744 -3.395 -2.052 -5.077 1.00 20.14 H new ATOM 0 HB2 PHE A 744 -5.660 -3.212 -3.423 1.00 30.23 H new ATOM 0 HB3 PHE A 744 -3.984 -3.710 -3.303 1.00 30.23 H new ATOM 0 HD1 PHE A 744 -6.366 -0.987 -2.624 1.00 11.33 H new ATOM 0 HD2 PHE A 744 -2.339 -2.314 -2.220 1.00 35.34 H new ATOM 0 HE1 PHE A 744 -5.941 0.800 -0.992 1.00 45.21 H new ATOM 0 HE2 PHE A 744 -1.914 -0.534 -0.590 1.00 62.33 H new ATOM 0 HZ PHE A 744 -3.713 1.025 0.031 1.00 14.42 H new ATOM 592 N LYS A 745 -3.678 -3.804 -6.857 1.00 53.34 N ATOM 593 CA LYS A 745 -3.805 -4.876 -7.828 1.00 44.41 C ATOM 594 C LYS A 745 -2.550 -5.734 -7.864 1.00 24.43 C ATOM 595 O LYS A 745 -1.434 -5.238 -7.685 1.00 54.14 O ATOM 596 CB LYS A 745 -4.122 -4.311 -9.219 1.00 40.13 C ATOM 597 CG LYS A 745 -3.054 -3.391 -9.782 1.00 11.52 C ATOM 598 CD LYS A 745 -3.494 -2.761 -11.100 1.00 70.22 C ATOM 599 CE LYS A 745 -4.606 -1.731 -10.907 1.00 22.41 C ATOM 600 NZ LYS A 745 -5.954 -2.352 -10.771 1.00 22.20 N ATOM 0 H LYS A 745 -2.863 -3.204 -6.985 1.00 53.34 H new ATOM 0 HA LYS A 745 -4.634 -5.513 -7.521 1.00 44.41 H new ATOM 0 HB2 LYS A 745 -4.270 -5.141 -9.910 1.00 40.13 H new ATOM 0 HB3 LYS A 745 -5.065 -3.766 -9.170 1.00 40.13 H new ATOM 0 HG2 LYS A 745 -2.831 -2.606 -9.059 1.00 11.52 H new ATOM 0 HG3 LYS A 745 -2.133 -3.953 -9.936 1.00 11.52 H new ATOM 0 HD2 LYS A 745 -2.638 -2.283 -11.576 1.00 70.22 H new ATOM 0 HD3 LYS A 745 -3.839 -3.543 -11.777 1.00 70.22 H new ATOM 0 HE2 LYS A 745 -4.394 -1.137 -10.018 1.00 22.41 H new ATOM 0 HE3 LYS A 745 -4.611 -1.046 -11.755 1.00 22.41 H new ATOM 0 HZ1 LYS A 745 -6.680 -1.681 -11.094 1.00 22.20 H new ATOM 0 HZ2 LYS A 745 -5.999 -3.215 -11.349 1.00 22.20 H new ATOM 0 HZ3 LYS A 745 -6.126 -2.594 -9.774 1.00 22.20 H new ATOM 614 N LEU A 746 -2.749 -7.027 -8.070 1.00 30.14 N ATOM 615 CA LEU A 746 -1.649 -7.968 -8.164 1.00 34.44 C ATOM 616 C LEU A 746 -0.984 -7.858 -9.528 1.00 64.20 C ATOM 617 O LEU A 746 -1.616 -8.097 -10.556 1.00 41.11 O ATOM 618 CB LEU A 746 -2.155 -9.396 -7.944 1.00 40.35 C ATOM 619 CG LEU A 746 -1.078 -10.481 -7.975 1.00 23.01 C ATOM 620 CD1 LEU A 746 -0.101 -10.293 -6.828 1.00 30.13 C ATOM 621 CD2 LEU A 746 -1.709 -11.860 -7.915 1.00 43.11 C ATOM 0 H LEU A 746 -3.672 -7.449 -8.176 1.00 30.14 H new ATOM 0 HA LEU A 746 -0.917 -7.730 -7.392 1.00 34.44 H new ATOM 0 HB2 LEU A 746 -2.664 -9.440 -6.981 1.00 40.35 H new ATOM 0 HB3 LEU A 746 -2.898 -9.623 -8.708 1.00 40.35 H new ATOM 0 HG LEU A 746 -0.530 -10.394 -8.913 1.00 23.01 H new ATOM 0 HD11 LEU A 746 0.659 -11.074 -6.865 1.00 30.13 H new ATOM 0 HD12 LEU A 746 0.377 -9.317 -6.914 1.00 30.13 H new ATOM 0 HD13 LEU A 746 -0.636 -10.353 -5.880 1.00 30.13 H new ATOM 0 HD21 LEU A 746 -0.927 -12.619 -7.938 1.00 43.11 H new ATOM 0 HD22 LEU A 746 -2.283 -11.958 -6.993 1.00 43.11 H new ATOM 0 HD23 LEU A 746 -2.371 -11.995 -8.770 1.00 43.11 H new ATOM 633 N VAL A 747 0.285 -7.487 -9.532 1.00 21.41 N ATOM 634 CA VAL A 747 1.032 -7.349 -10.773 1.00 62.53 C ATOM 635 C VAL A 747 1.661 -8.681 -11.156 1.00 23.24 C ATOM 636 O VAL A 747 1.516 -9.155 -12.286 1.00 42.02 O ATOM 637 CB VAL A 747 2.132 -6.272 -10.648 1.00 13.21 C ATOM 638 CG1 VAL A 747 2.877 -6.095 -11.964 1.00 30.25 C ATOM 639 CG2 VAL A 747 1.532 -4.952 -10.191 1.00 2.12 C ATOM 0 H VAL A 747 0.821 -7.276 -8.690 1.00 21.41 H new ATOM 0 HA VAL A 747 0.334 -7.038 -11.551 1.00 62.53 H new ATOM 0 HB VAL A 747 2.850 -6.606 -9.899 1.00 13.21 H new ATOM 0 HG11 VAL A 747 3.645 -5.331 -11.847 1.00 30.25 H new ATOM 0 HG12 VAL A 747 3.343 -7.038 -12.248 1.00 30.25 H new ATOM 0 HG13 VAL A 747 2.176 -5.789 -12.741 1.00 30.25 H new ATOM 0 HG21 VAL A 747 2.320 -4.204 -10.108 1.00 2.12 H new ATOM 0 HG22 VAL A 747 0.790 -4.619 -10.917 1.00 2.12 H new ATOM 0 HG23 VAL A 747 1.055 -5.086 -9.220 1.00 2.12 H new ATOM 649 N ASP A 748 2.336 -9.287 -10.194 1.00 14.32 N ATOM 650 CA ASP A 748 3.018 -10.557 -10.401 1.00 54.12 C ATOM 651 C ASP A 748 3.003 -11.352 -9.108 1.00 33.55 C ATOM 652 O ASP A 748 2.874 -10.776 -8.035 1.00 72.25 O ATOM 653 CB ASP A 748 4.464 -10.308 -10.851 1.00 4.42 C ATOM 654 CG ASP A 748 5.270 -11.585 -11.019 1.00 73.34 C ATOM 655 OD1 ASP A 748 5.105 -12.267 -12.053 1.00 23.01 O ATOM 656 OD2 ASP A 748 6.085 -11.904 -10.127 1.00 63.53 O ATOM 0 H ASP A 748 2.428 -8.915 -9.249 1.00 14.32 H new ATOM 0 HA ASP A 748 2.504 -11.123 -11.178 1.00 54.12 H new ATOM 0 HB2 ASP A 748 4.455 -9.766 -11.796 1.00 4.42 H new ATOM 0 HB3 ASP A 748 4.959 -9.668 -10.121 1.00 4.42 H new ATOM 661 N GLN A 749 3.095 -12.664 -9.199 1.00 54.33 N ATOM 662 CA GLN A 749 3.219 -13.481 -8.007 1.00 34.03 C ATOM 663 C GLN A 749 4.336 -14.502 -8.178 1.00 52.50 C ATOM 664 O GLN A 749 4.264 -15.396 -9.017 1.00 2.32 O ATOM 665 CB GLN A 749 1.891 -14.161 -7.642 1.00 52.02 C ATOM 666 CG GLN A 749 1.266 -14.984 -8.760 1.00 41.02 C ATOM 667 CD GLN A 749 1.072 -16.444 -8.386 1.00 11.04 C ATOM 668 OE1 GLN A 749 1.140 -17.327 -9.243 1.00 50.42 O ATOM 669 NE2 GLN A 749 0.798 -16.710 -7.117 1.00 55.02 N ATOM 0 H GLN A 749 3.086 -13.184 -10.077 1.00 54.33 H new ATOM 0 HA GLN A 749 3.478 -12.825 -7.176 1.00 34.03 H new ATOM 0 HB2 GLN A 749 2.056 -14.809 -6.781 1.00 52.02 H new ATOM 0 HB3 GLN A 749 1.180 -13.395 -7.333 1.00 52.02 H new ATOM 0 HG2 GLN A 749 0.301 -14.552 -9.026 1.00 41.02 H new ATOM 0 HG3 GLN A 749 1.898 -14.923 -9.646 1.00 41.02 H new ATOM 0 HE21 GLN A 749 0.750 -15.952 -6.436 1.00 55.02 H new ATOM 0 HE22 GLN A 749 0.635 -17.673 -6.821 1.00 55.02 H new ATOM 678 N SER A 750 5.388 -14.326 -7.398 1.00 14.22 N ATOM 679 CA SER A 750 6.512 -15.242 -7.405 1.00 0.30 C ATOM 680 C SER A 750 6.421 -16.164 -6.199 1.00 14.31 C ATOM 681 O SER A 750 6.936 -15.846 -5.124 1.00 23.25 O ATOM 682 CB SER A 750 7.826 -14.463 -7.367 1.00 20.50 C ATOM 683 OG SER A 750 7.840 -13.428 -8.341 1.00 61.10 O ATOM 0 H SER A 750 5.486 -13.548 -6.746 1.00 14.22 H new ATOM 0 HA SER A 750 6.484 -15.836 -8.318 1.00 0.30 H new ATOM 0 HB2 SER A 750 7.969 -14.034 -6.375 1.00 20.50 H new ATOM 0 HB3 SER A 750 8.660 -15.143 -7.543 1.00 20.50 H new ATOM 0 HG SER A 750 8.691 -12.945 -8.293 1.00 61.10 H new ATOM 689 N GLY A 751 5.748 -17.290 -6.355 1.00 41.33 N ATOM 690 CA GLY A 751 5.520 -18.143 -5.217 1.00 61.50 C ATOM 691 C GLY A 751 5.350 -19.601 -5.571 1.00 40.32 C ATOM 692 O GLY A 751 4.490 -19.954 -6.379 1.00 33.30 O ATOM 0 H GLY A 751 5.361 -17.624 -7.238 1.00 41.33 H new ATOM 0 HA2 GLY A 751 6.357 -18.042 -4.526 1.00 61.50 H new ATOM 0 HA3 GLY A 751 4.629 -17.800 -4.691 1.00 61.50 H new ATOM 696 N PRO A 752 6.182 -20.470 -4.982 1.00 53.02 N ATOM 697 CA PRO A 752 5.998 -21.920 -5.049 1.00 40.43 C ATOM 698 C PRO A 752 4.694 -22.343 -4.364 1.00 44.23 C ATOM 699 O PRO A 752 4.080 -21.543 -3.658 1.00 44.52 O ATOM 700 CB PRO A 752 7.208 -22.472 -4.284 1.00 13.12 C ATOM 701 CG PRO A 752 7.683 -21.342 -3.440 1.00 44.51 C ATOM 702 CD PRO A 752 7.387 -20.101 -4.222 1.00 65.14 C ATOM 0 HA PRO A 752 5.932 -22.287 -6.073 1.00 40.43 H new ATOM 0 HB2 PRO A 752 6.930 -23.330 -3.673 1.00 13.12 H new ATOM 0 HB3 PRO A 752 7.987 -22.807 -4.968 1.00 13.12 H new ATOM 0 HG2 PRO A 752 7.171 -21.330 -2.478 1.00 44.51 H new ATOM 0 HG3 PRO A 752 8.750 -21.429 -3.233 1.00 44.51 H new ATOM 0 HD2 PRO A 752 7.207 -19.246 -3.570 1.00 65.14 H new ATOM 0 HD3 PRO A 752 8.213 -19.832 -4.880 1.00 65.14 H new ATOM 710 N PRO A 753 4.254 -23.597 -4.548 1.00 0.55 N ATOM 711 CA PRO A 753 3.003 -24.090 -3.956 1.00 64.11 C ATOM 712 C PRO A 753 2.969 -23.942 -2.436 1.00 42.23 C ATOM 713 O PRO A 753 1.914 -23.695 -1.848 1.00 74.21 O ATOM 714 CB PRO A 753 2.970 -25.574 -4.339 1.00 43.15 C ATOM 715 CG PRO A 753 4.355 -25.903 -4.788 1.00 3.14 C ATOM 716 CD PRO A 753 4.920 -24.632 -5.352 1.00 73.15 C ATOM 0 HA PRO A 753 2.146 -23.522 -4.319 1.00 64.11 H new ATOM 0 HB2 PRO A 753 2.676 -26.192 -3.490 1.00 43.15 H new ATOM 0 HB3 PRO A 753 2.246 -25.758 -5.133 1.00 43.15 H new ATOM 0 HG2 PRO A 753 4.960 -26.263 -3.956 1.00 3.14 H new ATOM 0 HG3 PRO A 753 4.344 -26.692 -5.539 1.00 3.14 H new ATOM 0 HD2 PRO A 753 6.004 -24.590 -5.248 1.00 73.15 H new ATOM 0 HD3 PRO A 753 4.697 -24.526 -6.414 1.00 73.15 H new ATOM 724 N HIS A 754 4.128 -24.084 -1.808 1.00 32.10 N ATOM 725 CA HIS A 754 4.226 -24.031 -0.355 1.00 1.32 C ATOM 726 C HIS A 754 4.431 -22.604 0.153 1.00 63.00 C ATOM 727 O HIS A 754 4.360 -22.355 1.357 1.00 40.40 O ATOM 728 CB HIS A 754 5.361 -24.940 0.133 1.00 52.24 C ATOM 729 CG HIS A 754 6.687 -24.667 -0.513 1.00 11.12 C ATOM 730 ND1 HIS A 754 6.997 -25.182 -1.749 1.00 74.41 N ATOM 731 CD2 HIS A 754 7.737 -23.943 -0.059 1.00 42.32 C ATOM 732 CE1 HIS A 754 8.222 -24.766 -2.018 1.00 1.42 C ATOM 733 NE2 HIS A 754 8.708 -24.012 -1.025 1.00 75.24 N ATOM 0 H HIS A 754 5.017 -24.237 -2.284 1.00 32.10 H new ATOM 0 HA HIS A 754 3.280 -24.388 0.051 1.00 1.32 H new ATOM 0 HB2 HIS A 754 5.465 -24.826 1.212 1.00 52.24 H new ATOM 0 HB3 HIS A 754 5.086 -25.978 -0.053 1.00 52.24 H new ATOM 0 HD2 HIS A 754 7.798 -23.414 0.881 1.00 42.32 H new ATOM 0 HE1 HIS A 754 8.762 -25.004 -2.923 1.00 1.42 H new ATOM 0 HE2 HIS A 754 9.627 -23.572 -0.993 1.00 75.24 H new ATOM 741 N GLU A 755 4.681 -21.671 -0.760 1.00 1.12 N ATOM 742 CA GLU A 755 4.881 -20.271 -0.389 1.00 45.33 C ATOM 743 C GLU A 755 4.490 -19.323 -1.521 1.00 71.24 C ATOM 744 O GLU A 755 5.354 -18.761 -2.197 1.00 13.33 O ATOM 745 CB GLU A 755 6.335 -20.012 0.016 1.00 31.01 C ATOM 746 CG GLU A 755 6.540 -19.917 1.519 1.00 52.33 C ATOM 747 CD GLU A 755 7.949 -19.508 1.887 1.00 64.40 C ATOM 748 OE1 GLU A 755 8.283 -18.309 1.752 1.00 31.25 O ATOM 749 OE2 GLU A 755 8.728 -20.377 2.331 1.00 70.31 O ATOM 0 H GLU A 755 4.750 -21.856 -1.761 1.00 1.12 H new ATOM 0 HA GLU A 755 4.231 -20.075 0.464 1.00 45.33 H new ATOM 0 HB2 GLU A 755 6.961 -20.813 -0.378 1.00 31.01 H new ATOM 0 HB3 GLU A 755 6.673 -19.085 -0.448 1.00 31.01 H new ATOM 0 HG2 GLU A 755 5.836 -19.196 1.934 1.00 52.33 H new ATOM 0 HG3 GLU A 755 6.314 -20.881 1.975 1.00 52.33 H new ATOM 756 N PRO A 756 3.182 -19.155 -1.765 1.00 44.25 N ATOM 757 CA PRO A 756 2.687 -18.213 -2.771 1.00 15.24 C ATOM 758 C PRO A 756 2.896 -16.758 -2.352 1.00 50.20 C ATOM 759 O PRO A 756 2.172 -16.231 -1.508 1.00 30.54 O ATOM 760 CB PRO A 756 1.193 -18.535 -2.869 1.00 62.42 C ATOM 761 CG PRO A 756 0.848 -19.159 -1.559 1.00 44.52 C ATOM 762 CD PRO A 756 2.084 -19.884 -1.101 1.00 51.35 C ATOM 0 HA PRO A 756 3.216 -18.317 -3.718 1.00 15.24 H new ATOM 0 HB2 PRO A 756 0.605 -17.634 -3.044 1.00 62.42 H new ATOM 0 HB3 PRO A 756 0.989 -19.215 -3.696 1.00 62.42 H new ATOM 0 HG2 PRO A 756 0.550 -18.402 -0.834 1.00 44.52 H new ATOM 0 HG3 PRO A 756 0.010 -19.847 -1.665 1.00 44.52 H new ATOM 0 HD2 PRO A 756 2.185 -19.858 -0.016 1.00 51.35 H new ATOM 0 HD3 PRO A 756 2.065 -20.934 -1.395 1.00 51.35 H new ATOM 770 N LYS A 757 3.901 -16.118 -2.932 1.00 34.13 N ATOM 771 CA LYS A 757 4.191 -14.725 -2.630 1.00 15.42 C ATOM 772 C LYS A 757 3.554 -13.824 -3.679 1.00 74.10 C ATOM 773 O LYS A 757 3.672 -14.077 -4.877 1.00 60.41 O ATOM 774 CB LYS A 757 5.700 -14.490 -2.583 1.00 12.01 C ATOM 775 CG LYS A 757 6.093 -13.090 -2.139 1.00 43.44 C ATOM 776 CD LYS A 757 7.597 -12.880 -2.224 1.00 1.34 C ATOM 777 CE LYS A 757 8.354 -13.880 -1.365 1.00 21.31 C ATOM 778 NZ LYS A 757 9.824 -13.688 -1.467 1.00 1.33 N ATOM 0 H LYS A 757 4.529 -16.542 -3.615 1.00 34.13 H new ATOM 0 HA LYS A 757 3.773 -14.485 -1.652 1.00 15.42 H new ATOM 0 HB2 LYS A 757 6.150 -15.215 -1.905 1.00 12.01 H new ATOM 0 HB3 LYS A 757 6.118 -14.677 -3.572 1.00 12.01 H new ATOM 0 HG2 LYS A 757 5.586 -12.354 -2.763 1.00 43.44 H new ATOM 0 HG3 LYS A 757 5.759 -12.925 -1.115 1.00 43.44 H new ATOM 0 HD2 LYS A 757 7.919 -12.974 -3.261 1.00 1.34 H new ATOM 0 HD3 LYS A 757 7.842 -11.867 -1.904 1.00 1.34 H new ATOM 0 HE2 LYS A 757 8.044 -13.775 -0.325 1.00 21.31 H new ATOM 0 HE3 LYS A 757 8.097 -14.893 -1.673 1.00 21.31 H new ATOM 0 HZ1 LYS A 757 10.308 -14.387 -0.868 1.00 1.33 H new ATOM 0 HZ2 LYS A 757 10.123 -13.813 -2.455 1.00 1.33 H new ATOM 0 HZ3 LYS A 757 10.072 -12.729 -1.149 1.00 1.33 H new ATOM 792 N PHE A 758 2.882 -12.782 -3.225 1.00 55.51 N ATOM 793 CA PHE A 758 2.162 -11.893 -4.117 1.00 54.10 C ATOM 794 C PHE A 758 2.837 -10.532 -4.198 1.00 54.04 C ATOM 795 O PHE A 758 3.089 -9.888 -3.178 1.00 53.20 O ATOM 796 CB PHE A 758 0.713 -11.742 -3.650 1.00 25.41 C ATOM 797 CG PHE A 758 -0.036 -13.042 -3.622 1.00 34.21 C ATOM 798 CD1 PHE A 758 -0.609 -13.548 -4.777 1.00 52.55 C ATOM 799 CD2 PHE A 758 -0.158 -13.761 -2.445 1.00 11.50 C ATOM 800 CE1 PHE A 758 -1.288 -14.748 -4.760 1.00 50.52 C ATOM 801 CE2 PHE A 758 -0.838 -14.962 -2.421 1.00 31.13 C ATOM 802 CZ PHE A 758 -1.403 -15.456 -3.579 1.00 31.20 C ATOM 0 H PHE A 758 2.820 -12.530 -2.239 1.00 55.51 H new ATOM 0 HA PHE A 758 2.170 -12.331 -5.115 1.00 54.10 H new ATOM 0 HB2 PHE A 758 0.703 -11.303 -2.653 1.00 25.41 H new ATOM 0 HB3 PHE A 758 0.196 -11.046 -4.310 1.00 25.41 H new ATOM 0 HD1 PHE A 758 -0.523 -12.996 -5.701 1.00 52.55 H new ATOM 0 HD2 PHE A 758 0.283 -13.378 -1.537 1.00 11.50 H new ATOM 0 HE1 PHE A 758 -1.729 -15.134 -5.667 1.00 50.52 H new ATOM 0 HE2 PHE A 758 -0.928 -15.514 -1.497 1.00 31.13 H new ATOM 0 HZ PHE A 758 -1.935 -16.396 -3.562 1.00 31.20 H new ATOM 812 N VAL A 759 3.134 -10.108 -5.417 1.00 51.32 N ATOM 813 CA VAL A 759 3.722 -8.802 -5.655 1.00 43.21 C ATOM 814 C VAL A 759 2.627 -7.790 -5.960 1.00 71.42 C ATOM 815 O VAL A 759 2.050 -7.780 -7.056 1.00 23.15 O ATOM 816 CB VAL A 759 4.731 -8.835 -6.823 1.00 20.42 C ATOM 817 CG1 VAL A 759 5.305 -7.450 -7.083 1.00 34.21 C ATOM 818 CG2 VAL A 759 5.845 -9.833 -6.541 1.00 11.01 C ATOM 0 H VAL A 759 2.975 -10.656 -6.262 1.00 51.32 H new ATOM 0 HA VAL A 759 4.258 -8.511 -4.752 1.00 43.21 H new ATOM 0 HB VAL A 759 4.201 -9.156 -7.720 1.00 20.42 H new ATOM 0 HG11 VAL A 759 6.013 -7.499 -7.910 1.00 34.21 H new ATOM 0 HG12 VAL A 759 4.498 -6.763 -7.337 1.00 34.21 H new ATOM 0 HG13 VAL A 759 5.816 -7.094 -6.188 1.00 34.21 H new ATOM 0 HG21 VAL A 759 6.546 -9.842 -7.376 1.00 11.01 H new ATOM 0 HG22 VAL A 759 6.369 -9.545 -5.630 1.00 11.01 H new ATOM 0 HG23 VAL A 759 5.419 -10.828 -6.415 1.00 11.01 H new ATOM 828 N TYR A 760 2.328 -6.958 -4.977 1.00 63.13 N ATOM 829 CA TYR A 760 1.276 -5.971 -5.106 1.00 62.43 C ATOM 830 C TYR A 760 1.849 -4.589 -5.360 1.00 33.24 C ATOM 831 O TYR A 760 2.912 -4.234 -4.843 1.00 3.45 O ATOM 832 CB TYR A 760 0.397 -5.949 -3.856 1.00 32.03 C ATOM 833 CG TYR A 760 -0.857 -6.779 -4.000 1.00 51.33 C ATOM 834 CD1 TYR A 760 -0.842 -8.149 -3.770 1.00 33.34 C ATOM 835 CD2 TYR A 760 -2.052 -6.189 -4.379 1.00 11.04 C ATOM 836 CE1 TYR A 760 -1.989 -8.906 -3.921 1.00 64.11 C ATOM 837 CE2 TYR A 760 -3.202 -6.936 -4.526 1.00 2.11 C ATOM 838 CZ TYR A 760 -3.165 -8.291 -4.299 1.00 41.21 C ATOM 839 OH TYR A 760 -4.306 -9.039 -4.459 1.00 53.54 O ATOM 0 H TYR A 760 2.805 -6.949 -4.075 1.00 63.13 H new ATOM 0 HA TYR A 760 0.664 -6.253 -5.962 1.00 62.43 H new ATOM 0 HB2 TYR A 760 0.973 -6.316 -3.007 1.00 32.03 H new ATOM 0 HB3 TYR A 760 0.120 -4.919 -3.632 1.00 32.03 H new ATOM 0 HD1 TYR A 760 0.078 -8.629 -3.469 1.00 33.34 H new ATOM 0 HD2 TYR A 760 -2.083 -5.125 -4.563 1.00 11.04 H new ATOM 0 HE1 TYR A 760 -1.965 -9.971 -3.744 1.00 64.11 H new ATOM 0 HE2 TYR A 760 -4.126 -6.459 -4.818 1.00 2.11 H new ATOM 0 HH TYR A 760 -5.046 -8.454 -4.726 1.00 53.54 H new ATOM 849 N GLN A 761 1.138 -3.823 -6.165 1.00 51.23 N ATOM 850 CA GLN A 761 1.529 -2.467 -6.476 1.00 51.21 C ATOM 851 C GLN A 761 0.329 -1.549 -6.324 1.00 73.55 C ATOM 852 O GLN A 761 -0.768 -1.855 -6.811 1.00 43.44 O ATOM 853 CB GLN A 761 2.097 -2.402 -7.893 1.00 23.32 C ATOM 854 CG GLN A 761 2.596 -1.032 -8.311 1.00 2.31 C ATOM 855 CD GLN A 761 3.401 -1.092 -9.591 1.00 2.24 C ATOM 856 OE1 GLN A 761 2.856 -0.994 -10.689 1.00 75.30 O ATOM 857 NE2 GLN A 761 4.708 -1.252 -9.457 1.00 33.00 N ATOM 0 H GLN A 761 0.276 -4.125 -6.619 1.00 51.23 H new ATOM 0 HA GLN A 761 2.306 -2.139 -5.786 1.00 51.21 H new ATOM 0 HB2 GLN A 761 2.919 -3.114 -7.974 1.00 23.32 H new ATOM 0 HB3 GLN A 761 1.327 -2.723 -8.594 1.00 23.32 H new ATOM 0 HG2 GLN A 761 1.747 -0.362 -8.447 1.00 2.31 H new ATOM 0 HG3 GLN A 761 3.210 -0.611 -7.515 1.00 2.31 H new ATOM 0 HE21 GLN A 761 5.120 -1.329 -8.527 1.00 33.00 H new ATOM 0 HE22 GLN A 761 5.304 -1.298 -10.284 1.00 33.00 H new ATOM 866 N ALA A 762 0.527 -0.447 -5.624 1.00 63.55 N ATOM 867 CA ALA A 762 -0.549 0.488 -5.369 1.00 12.30 C ATOM 868 C ALA A 762 -0.619 1.536 -6.466 1.00 21.24 C ATOM 869 O ALA A 762 0.361 2.222 -6.759 1.00 23.41 O ATOM 870 CB ALA A 762 -0.376 1.144 -4.007 1.00 1.33 C ATOM 0 H ALA A 762 1.425 -0.179 -5.222 1.00 63.55 H new ATOM 0 HA ALA A 762 -1.489 -0.063 -5.365 1.00 12.30 H new ATOM 0 HB1 ALA A 762 -1.194 1.843 -3.833 1.00 1.33 H new ATOM 0 HB2 ALA A 762 -0.382 0.379 -3.231 1.00 1.33 H new ATOM 0 HB3 ALA A 762 0.572 1.681 -3.980 1.00 1.33 H new ATOM 876 N LYS A 763 -1.777 1.635 -7.089 1.00 22.44 N ATOM 877 CA LYS A 763 -2.006 2.633 -8.115 1.00 15.44 C ATOM 878 C LYS A 763 -2.752 3.804 -7.508 1.00 72.03 C ATOM 879 O LYS A 763 -3.940 3.697 -7.215 1.00 61.34 O ATOM 880 CB LYS A 763 -2.827 2.049 -9.264 1.00 61.11 C ATOM 881 CG LYS A 763 -2.911 2.967 -10.468 1.00 21.44 C ATOM 882 CD LYS A 763 -4.094 2.618 -11.352 1.00 13.23 C ATOM 883 CE LYS A 763 -4.049 3.377 -12.666 1.00 52.14 C ATOM 884 NZ LYS A 763 -5.385 3.444 -13.312 1.00 60.24 N ATOM 0 H LYS A 763 -2.578 1.032 -6.901 1.00 22.44 H new ATOM 0 HA LYS A 763 -1.044 2.962 -8.508 1.00 15.44 H new ATOM 0 HB2 LYS A 763 -2.387 1.100 -9.570 1.00 61.11 H new ATOM 0 HB3 LYS A 763 -3.835 1.834 -8.909 1.00 61.11 H new ATOM 0 HG2 LYS A 763 -2.998 4.001 -10.133 1.00 21.44 H new ATOM 0 HG3 LYS A 763 -1.990 2.896 -11.046 1.00 21.44 H new ATOM 0 HD2 LYS A 763 -4.098 1.546 -11.550 1.00 13.23 H new ATOM 0 HD3 LYS A 763 -5.022 2.849 -10.828 1.00 13.23 H new ATOM 0 HE2 LYS A 763 -3.680 4.387 -12.489 1.00 52.14 H new ATOM 0 HE3 LYS A 763 -3.343 2.893 -13.341 1.00 52.14 H new ATOM 0 HZ1 LYS A 763 -5.312 3.970 -14.206 1.00 60.24 H new ATOM 0 HZ2 LYS A 763 -5.727 2.481 -13.504 1.00 60.24 H new ATOM 0 HZ3 LYS A 763 -6.053 3.928 -12.679 1.00 60.24 H new ATOM 898 N VAL A 764 -2.063 4.907 -7.294 1.00 24.20 N ATOM 899 CA VAL A 764 -2.689 6.072 -6.690 1.00 3.30 C ATOM 900 C VAL A 764 -2.875 7.176 -7.719 1.00 13.24 C ATOM 901 O VAL A 764 -1.971 7.974 -7.970 1.00 73.43 O ATOM 902 CB VAL A 764 -1.878 6.586 -5.485 1.00 63.31 C ATOM 903 CG1 VAL A 764 -2.566 7.767 -4.822 1.00 71.02 C ATOM 904 CG2 VAL A 764 -1.672 5.459 -4.485 1.00 61.42 C ATOM 0 H VAL A 764 -1.077 5.024 -7.526 1.00 24.20 H new ATOM 0 HA VAL A 764 -3.670 5.768 -6.325 1.00 3.30 H new ATOM 0 HB VAL A 764 -0.907 6.928 -5.844 1.00 63.31 H new ATOM 0 HG11 VAL A 764 -1.970 8.107 -3.975 1.00 71.02 H new ATOM 0 HG12 VAL A 764 -2.670 8.579 -5.542 1.00 71.02 H new ATOM 0 HG13 VAL A 764 -3.553 7.464 -4.472 1.00 71.02 H new ATOM 0 HG21 VAL A 764 -1.098 5.827 -3.635 1.00 61.42 H new ATOM 0 HG22 VAL A 764 -2.641 5.097 -4.140 1.00 61.42 H new ATOM 0 HG23 VAL A 764 -1.130 4.643 -4.963 1.00 61.42 H new ATOM 914 N GLY A 765 -4.041 7.178 -8.355 1.00 61.01 N ATOM 915 CA GLY A 765 -4.351 8.187 -9.355 1.00 52.44 C ATOM 916 C GLY A 765 -3.680 7.912 -10.686 1.00 63.21 C ATOM 917 O GLY A 765 -3.952 8.582 -11.682 1.00 32.42 O ATOM 0 H GLY A 765 -4.782 6.495 -8.196 1.00 61.01 H new ATOM 0 HA2 GLY A 765 -5.431 8.232 -9.499 1.00 52.44 H new ATOM 0 HA3 GLY A 765 -4.037 9.165 -8.989 1.00 52.44 H new ATOM 921 N GLY A 766 -2.809 6.916 -10.704 1.00 4.02 N ATOM 922 CA GLY A 766 -2.069 6.592 -11.904 1.00 42.43 C ATOM 923 C GLY A 766 -0.617 6.313 -11.595 1.00 15.05 C ATOM 924 O GLY A 766 0.033 5.535 -12.286 1.00 63.32 O ATOM 0 H GLY A 766 -2.600 6.322 -9.902 1.00 4.02 H new ATOM 0 HA2 GLY A 766 -2.515 5.721 -12.385 1.00 42.43 H new ATOM 0 HA3 GLY A 766 -2.140 7.418 -12.612 1.00 42.43 H new ATOM 928 N ARG A 767 -0.114 6.951 -10.547 1.00 23.34 N ATOM 929 CA ARG A 767 1.253 6.730 -10.101 1.00 5.13 C ATOM 930 C ARG A 767 1.347 5.358 -9.444 1.00 10.43 C ATOM 931 O ARG A 767 0.666 5.088 -8.453 1.00 24.31 O ATOM 932 CB ARG A 767 1.673 7.829 -9.115 1.00 20.54 C ATOM 933 CG ARG A 767 3.139 8.242 -9.214 1.00 24.51 C ATOM 934 CD ARG A 767 4.095 7.099 -8.896 1.00 61.32 C ATOM 935 NE ARG A 767 5.490 7.544 -8.890 1.00 45.02 N ATOM 936 CZ ARG A 767 6.542 6.725 -8.839 1.00 74.34 C ATOM 937 NH1 ARG A 767 6.378 5.410 -8.816 1.00 23.54 N ATOM 938 NH2 ARG A 767 7.769 7.229 -8.815 1.00 32.22 N ATOM 0 H ARG A 767 -0.635 7.628 -9.989 1.00 23.34 H new ATOM 0 HA ARG A 767 1.927 6.766 -10.957 1.00 5.13 H new ATOM 0 HB2 ARG A 767 1.049 8.707 -9.282 1.00 20.54 H new ATOM 0 HB3 ARG A 767 1.473 7.485 -8.100 1.00 20.54 H new ATOM 0 HG2 ARG A 767 3.341 8.610 -10.220 1.00 24.51 H new ATOM 0 HG3 ARG A 767 3.326 9.068 -8.528 1.00 24.51 H new ATOM 0 HD2 ARG A 767 3.844 6.675 -7.924 1.00 61.32 H new ATOM 0 HD3 ARG A 767 3.970 6.305 -9.632 1.00 61.32 H new ATOM 0 HE ARG A 767 5.670 8.547 -8.927 1.00 45.02 H new ATOM 0 HH11 ARG A 767 5.439 5.013 -8.837 1.00 23.54 H new ATOM 0 HH12 ARG A 767 7.191 4.795 -8.777 1.00 23.54 H new ATOM 0 HH21 ARG A 767 7.906 8.240 -8.836 1.00 32.22 H new ATOM 0 HH22 ARG A 767 8.576 6.606 -8.776 1.00 32.22 H new ATOM 952 N TRP A 768 2.170 4.497 -10.015 1.00 23.31 N ATOM 953 CA TRP A 768 2.337 3.145 -9.507 1.00 32.00 C ATOM 954 C TRP A 768 3.429 3.111 -8.448 1.00 25.23 C ATOM 955 O TRP A 768 4.616 3.205 -8.768 1.00 55.21 O ATOM 956 CB TRP A 768 2.691 2.185 -10.645 1.00 14.35 C ATOM 957 CG TRP A 768 1.687 2.175 -11.755 1.00 24.14 C ATOM 958 CD1 TRP A 768 1.715 2.938 -12.884 1.00 54.11 C ATOM 959 CD2 TRP A 768 0.510 1.365 -11.844 1.00 25.32 C ATOM 960 NE1 TRP A 768 0.624 2.657 -13.669 1.00 23.22 N ATOM 961 CE2 TRP A 768 -0.130 1.695 -13.055 1.00 71.23 C ATOM 962 CE3 TRP A 768 -0.067 0.393 -11.019 1.00 65.14 C ATOM 963 CZ2 TRP A 768 -1.316 1.092 -13.457 1.00 42.21 C ATOM 964 CZ3 TRP A 768 -1.245 -0.206 -11.423 1.00 45.31 C ATOM 965 CH2 TRP A 768 -1.857 0.145 -12.632 1.00 10.33 C ATOM 0 H TRP A 768 2.737 4.711 -10.836 1.00 23.31 H new ATOM 0 HA TRP A 768 1.395 2.829 -9.059 1.00 32.00 H new ATOM 0 HB2 TRP A 768 3.665 2.459 -11.050 1.00 14.35 H new ATOM 0 HB3 TRP A 768 2.785 1.176 -10.242 1.00 14.35 H new ATOM 0 HD1 TRP A 768 2.483 3.658 -13.126 1.00 54.11 H new ATOM 0 HE1 TRP A 768 0.410 3.095 -14.565 1.00 23.22 H new ATOM 0 HE3 TRP A 768 0.399 0.116 -10.085 1.00 65.14 H new ATOM 0 HZ2 TRP A 768 -1.793 1.362 -14.388 1.00 42.21 H new ATOM 0 HZ3 TRP A 768 -1.701 -0.957 -10.795 1.00 45.31 H new ATOM 0 HH2 TRP A 768 -2.777 -0.343 -12.920 1.00 10.33 H new ATOM 976 N PHE A 769 3.028 2.995 -7.193 1.00 71.23 N ATOM 977 CA PHE A 769 3.973 2.944 -6.087 1.00 62.22 C ATOM 978 C PHE A 769 3.254 2.525 -4.810 1.00 54.41 C ATOM 979 O PHE A 769 2.143 2.971 -4.538 1.00 4.03 O ATOM 980 CB PHE A 769 4.667 4.305 -5.882 1.00 60.14 C ATOM 981 CG PHE A 769 3.829 5.341 -5.179 1.00 44.30 C ATOM 982 CD1 PHE A 769 2.789 5.984 -5.833 1.00 1.01 C ATOM 983 CD2 PHE A 769 4.084 5.666 -3.855 1.00 32.11 C ATOM 984 CE1 PHE A 769 2.024 6.933 -5.183 1.00 73.54 C ATOM 985 CE2 PHE A 769 3.322 6.613 -3.199 1.00 33.14 C ATOM 986 CZ PHE A 769 2.289 7.246 -3.863 1.00 24.54 C ATOM 0 H PHE A 769 2.049 2.934 -6.913 1.00 71.23 H new ATOM 0 HA PHE A 769 4.740 2.208 -6.328 1.00 62.22 H new ATOM 0 HB2 PHE A 769 5.582 4.148 -5.310 1.00 60.14 H new ATOM 0 HB3 PHE A 769 4.963 4.697 -6.855 1.00 60.14 H new ATOM 0 HD1 PHE A 769 2.574 5.740 -6.863 1.00 1.01 H new ATOM 0 HD2 PHE A 769 4.889 5.172 -3.330 1.00 32.11 H new ATOM 0 HE1 PHE A 769 1.220 7.430 -5.706 1.00 73.54 H new ATOM 0 HE2 PHE A 769 3.533 6.858 -2.169 1.00 33.14 H new ATOM 0 HZ PHE A 769 1.689 7.984 -3.351 1.00 24.54 H new ATOM 996 N PRO A 770 3.873 1.647 -4.017 1.00 45.43 N ATOM 997 CA PRO A 770 5.153 1.040 -4.330 1.00 11.32 C ATOM 998 C PRO A 770 4.993 -0.343 -4.952 1.00 62.35 C ATOM 999 O PRO A 770 3.891 -0.734 -5.345 1.00 53.24 O ATOM 1000 CB PRO A 770 5.776 0.934 -2.945 1.00 44.02 C ATOM 1001 CG PRO A 770 4.623 0.653 -2.037 1.00 15.00 C ATOM 1002 CD PRO A 770 3.380 1.187 -2.717 1.00 12.43 C ATOM 0 HA PRO A 770 5.738 1.605 -5.056 1.00 11.32 H new ATOM 0 HB2 PRO A 770 6.518 0.136 -2.903 1.00 44.02 H new ATOM 0 HB3 PRO A 770 6.285 1.857 -2.667 1.00 44.02 H new ATOM 0 HG2 PRO A 770 4.531 -0.417 -1.851 1.00 15.00 H new ATOM 0 HG3 PRO A 770 4.769 1.133 -1.069 1.00 15.00 H new ATOM 0 HD2 PRO A 770 2.619 0.414 -2.827 1.00 12.43 H new ATOM 0 HD3 PRO A 770 2.929 2.000 -2.148 1.00 12.43 H new ATOM 1010 N ALA A 771 6.089 -1.077 -5.041 1.00 3.12 N ATOM 1011 CA ALA A 771 6.057 -2.446 -5.527 1.00 1.12 C ATOM 1012 C ALA A 771 6.563 -3.388 -4.444 1.00 3.05 C ATOM 1013 O ALA A 771 7.770 -3.499 -4.222 1.00 52.43 O ATOM 1014 CB ALA A 771 6.885 -2.583 -6.794 1.00 63.24 C ATOM 0 H ALA A 771 7.018 -0.745 -4.781 1.00 3.12 H new ATOM 0 HA ALA A 771 5.028 -2.713 -5.770 1.00 1.12 H new ATOM 0 HB1 ALA A 771 6.849 -3.615 -7.143 1.00 63.24 H new ATOM 0 HB2 ALA A 771 6.483 -1.925 -7.565 1.00 63.24 H new ATOM 0 HB3 ALA A 771 7.918 -2.307 -6.585 1.00 63.24 H new ATOM 1020 N VAL A 772 5.644 -4.050 -3.761 1.00 60.15 N ATOM 1021 CA VAL A 772 6.000 -4.896 -2.631 1.00 52.21 C ATOM 1022 C VAL A 772 5.640 -6.349 -2.899 1.00 22.04 C ATOM 1023 O VAL A 772 4.968 -6.659 -3.880 1.00 34.34 O ATOM 1024 CB VAL A 772 5.298 -4.440 -1.335 1.00 61.12 C ATOM 1025 CG1 VAL A 772 5.717 -3.025 -0.961 1.00 33.22 C ATOM 1026 CG2 VAL A 772 3.785 -4.532 -1.486 1.00 5.33 C ATOM 0 H VAL A 772 4.646 -4.019 -3.968 1.00 60.15 H new ATOM 0 HA VAL A 772 7.078 -4.805 -2.501 1.00 52.21 H new ATOM 0 HB VAL A 772 5.604 -5.107 -0.529 1.00 61.12 H new ATOM 0 HG11 VAL A 772 5.209 -2.725 -0.044 1.00 33.22 H new ATOM 0 HG12 VAL A 772 6.795 -2.994 -0.805 1.00 33.22 H new ATOM 0 HG13 VAL A 772 5.447 -2.341 -1.765 1.00 33.22 H new ATOM 0 HG21 VAL A 772 3.307 -4.206 -0.562 1.00 5.33 H new ATOM 0 HG22 VAL A 772 3.462 -3.892 -2.307 1.00 5.33 H new ATOM 0 HG23 VAL A 772 3.502 -5.563 -1.697 1.00 5.33 H new ATOM 1036 N CYS A 773 6.088 -7.230 -2.024 1.00 51.55 N ATOM 1037 CA CYS A 773 5.784 -8.644 -2.140 1.00 45.43 C ATOM 1038 C CYS A 773 5.555 -9.259 -0.762 1.00 35.32 C ATOM 1039 O CYS A 773 6.424 -9.202 0.109 1.00 52.30 O ATOM 1040 CB CYS A 773 6.916 -9.363 -2.875 1.00 20.31 C ATOM 1041 SG CYS A 773 8.571 -8.925 -2.289 1.00 60.02 S ATOM 0 H CYS A 773 6.668 -6.989 -1.220 1.00 51.55 H new ATOM 0 HA CYS A 773 4.866 -8.760 -2.716 1.00 45.43 H new ATOM 0 HB2 CYS A 773 6.778 -10.439 -2.770 1.00 20.31 H new ATOM 0 HB3 CYS A 773 6.847 -9.135 -3.939 1.00 20.31 H new ATOM 0 HG CYS A 773 9.461 -9.585 -2.969 1.00 60.02 H new ATOM 1047 N ALA A 774 4.378 -9.832 -0.566 1.00 1.45 N ATOM 1048 CA ALA A 774 4.026 -10.449 0.704 1.00 53.14 C ATOM 1049 C ALA A 774 3.601 -11.893 0.487 1.00 4.10 C ATOM 1050 O ALA A 774 3.137 -12.250 -0.595 1.00 45.31 O ATOM 1051 CB ALA A 774 2.918 -9.663 1.390 1.00 52.45 C ATOM 0 H ALA A 774 3.646 -9.883 -1.275 1.00 1.45 H new ATOM 0 HA ALA A 774 4.903 -10.439 1.351 1.00 53.14 H new ATOM 0 HB1 ALA A 774 2.668 -10.139 2.338 1.00 52.45 H new ATOM 0 HB2 ALA A 774 3.256 -8.643 1.574 1.00 52.45 H new ATOM 0 HB3 ALA A 774 2.036 -9.643 0.750 1.00 52.45 H new ATOM 1057 N HIS A 775 3.751 -12.722 1.513 1.00 32.45 N ATOM 1058 CA HIS A 775 3.419 -14.143 1.394 1.00 2.23 C ATOM 1059 C HIS A 775 1.911 -14.366 1.523 1.00 34.41 C ATOM 1060 O HIS A 775 1.421 -15.486 1.379 1.00 25.24 O ATOM 1061 CB HIS A 775 4.175 -14.980 2.439 1.00 42.31 C ATOM 1062 CG HIS A 775 3.673 -14.831 3.847 1.00 43.45 C ATOM 1063 ND1 HIS A 775 2.807 -15.729 4.432 1.00 25.02 N ATOM 1064 CD2 HIS A 775 3.930 -13.894 4.789 1.00 42.23 C ATOM 1065 CE1 HIS A 775 2.554 -15.351 5.670 1.00 62.33 C ATOM 1066 NE2 HIS A 775 3.222 -14.242 5.912 1.00 13.44 N ATOM 0 H HIS A 775 4.097 -12.442 2.431 1.00 32.45 H new ATOM 0 HA HIS A 775 3.732 -14.472 0.403 1.00 2.23 H new ATOM 0 HB2 HIS A 775 4.114 -16.031 2.156 1.00 42.31 H new ATOM 0 HB3 HIS A 775 5.229 -14.703 2.413 1.00 42.31 H new ATOM 0 HD2 HIS A 775 4.572 -13.033 4.678 1.00 42.23 H new ATOM 0 HE1 HIS A 775 1.908 -15.864 6.367 1.00 62.33 H new ATOM 0 HE2 HIS A 775 3.214 -13.725 6.792 1.00 13.44 H new ATOM 1075 N SER A 776 1.185 -13.295 1.805 1.00 32.55 N ATOM 1076 CA SER A 776 -0.260 -13.357 1.927 1.00 2.31 C ATOM 1077 C SER A 776 -0.900 -12.245 1.107 1.00 54.30 C ATOM 1078 O SER A 776 -0.358 -11.142 1.014 1.00 53.22 O ATOM 1079 CB SER A 776 -0.669 -13.244 3.397 1.00 1.32 C ATOM 1080 OG SER A 776 -0.116 -14.301 4.162 1.00 40.04 O ATOM 0 H SER A 776 1.579 -12.366 1.954 1.00 32.55 H new ATOM 0 HA SER A 776 -0.609 -14.316 1.544 1.00 2.31 H new ATOM 0 HB2 SER A 776 -0.335 -12.287 3.798 1.00 1.32 H new ATOM 0 HB3 SER A 776 -1.756 -13.262 3.478 1.00 1.32 H new ATOM 0 HG SER A 776 -0.390 -14.206 5.098 1.00 40.04 H new ATOM 1086 N LYS A 777 -2.053 -12.539 0.523 1.00 11.30 N ATOM 1087 CA LYS A 777 -2.725 -11.602 -0.367 1.00 41.34 C ATOM 1088 C LYS A 777 -3.179 -10.355 0.387 1.00 15.13 C ATOM 1089 O LYS A 777 -3.013 -9.234 -0.097 1.00 50.11 O ATOM 1090 CB LYS A 777 -3.911 -12.288 -1.054 1.00 64.55 C ATOM 1091 CG LYS A 777 -4.620 -11.415 -2.073 1.00 13.23 C ATOM 1092 CD LYS A 777 -5.878 -10.778 -1.501 1.00 33.15 C ATOM 1093 CE LYS A 777 -6.524 -9.835 -2.502 1.00 33.40 C ATOM 1094 NZ LYS A 777 -6.716 -10.483 -3.827 1.00 65.42 N ATOM 0 H LYS A 777 -2.545 -13.423 0.650 1.00 11.30 H new ATOM 0 HA LYS A 777 -2.016 -11.283 -1.131 1.00 41.34 H new ATOM 0 HB2 LYS A 777 -3.558 -13.193 -1.548 1.00 64.55 H new ATOM 0 HB3 LYS A 777 -4.628 -12.599 -0.294 1.00 64.55 H new ATOM 0 HG2 LYS A 777 -3.942 -10.634 -2.416 1.00 13.23 H new ATOM 0 HG3 LYS A 777 -4.882 -12.015 -2.945 1.00 13.23 H new ATOM 0 HD2 LYS A 777 -6.588 -11.557 -1.222 1.00 33.15 H new ATOM 0 HD3 LYS A 777 -5.630 -10.231 -0.591 1.00 33.15 H new ATOM 0 HE2 LYS A 777 -7.488 -9.501 -2.117 1.00 33.40 H new ATOM 0 HE3 LYS A 777 -5.903 -8.947 -2.618 1.00 33.40 H new ATOM 0 HZ1 LYS A 777 -7.628 -10.187 -4.229 1.00 65.42 H new ATOM 0 HZ2 LYS A 777 -5.947 -10.199 -4.467 1.00 65.42 H new ATOM 0 HZ3 LYS A 777 -6.707 -11.517 -3.713 1.00 65.42 H new ATOM 1108 N LYS A 778 -3.735 -10.550 1.577 1.00 33.24 N ATOM 1109 CA LYS A 778 -4.192 -9.427 2.388 1.00 20.21 C ATOM 1110 C LYS A 778 -3.003 -8.579 2.825 1.00 71.40 C ATOM 1111 O LYS A 778 -3.079 -7.349 2.858 1.00 35.10 O ATOM 1112 CB LYS A 778 -4.973 -9.918 3.610 1.00 44.32 C ATOM 1113 CG LYS A 778 -5.619 -8.797 4.409 1.00 65.33 C ATOM 1114 CD LYS A 778 -6.378 -9.334 5.612 1.00 73.11 C ATOM 1115 CE LYS A 778 -7.086 -8.222 6.371 1.00 4.01 C ATOM 1116 NZ LYS A 778 -6.135 -7.198 6.880 1.00 50.32 N ATOM 0 H LYS A 778 -3.880 -11.467 1.999 1.00 33.24 H new ATOM 0 HA LYS A 778 -4.860 -8.815 1.782 1.00 20.21 H new ATOM 0 HB2 LYS A 778 -5.747 -10.612 3.282 1.00 44.32 H new ATOM 0 HB3 LYS A 778 -4.300 -10.476 4.261 1.00 44.32 H new ATOM 0 HG2 LYS A 778 -4.852 -8.099 4.744 1.00 65.33 H new ATOM 0 HG3 LYS A 778 -6.300 -8.238 3.768 1.00 65.33 H new ATOM 0 HD2 LYS A 778 -7.109 -10.072 5.282 1.00 73.11 H new ATOM 0 HD3 LYS A 778 -5.686 -9.847 6.280 1.00 73.11 H new ATOM 0 HE2 LYS A 778 -7.816 -7.745 5.717 1.00 4.01 H new ATOM 0 HE3 LYS A 778 -7.639 -8.650 7.207 1.00 4.01 H new ATOM 0 HZ1 LYS A 778 -6.361 -6.976 7.871 1.00 50.32 H new ATOM 0 HZ2 LYS A 778 -5.164 -7.566 6.820 1.00 50.32 H new ATOM 0 HZ3 LYS A 778 -6.214 -6.335 6.305 1.00 50.32 H new ATOM 1130 N GLN A 779 -1.897 -9.243 3.135 1.00 54.34 N ATOM 1131 CA GLN A 779 -0.677 -8.545 3.517 1.00 72.21 C ATOM 1132 C GLN A 779 -0.113 -7.758 2.346 1.00 0.14 C ATOM 1133 O GLN A 779 0.472 -6.699 2.537 1.00 1.53 O ATOM 1134 CB GLN A 779 0.379 -9.513 4.046 1.00 42.34 C ATOM 1135 CG GLN A 779 0.126 -9.969 5.469 1.00 22.42 C ATOM 1136 CD GLN A 779 1.299 -10.727 6.047 1.00 35.14 C ATOM 1137 OE1 GLN A 779 1.375 -11.949 5.949 1.00 2.13 O ATOM 1138 NE2 GLN A 779 2.225 -10.005 6.660 1.00 24.02 N ATOM 0 H GLN A 779 -1.820 -10.260 3.129 1.00 54.34 H new ATOM 0 HA GLN A 779 -0.939 -7.852 4.316 1.00 72.21 H new ATOM 0 HB2 GLN A 779 0.418 -10.386 3.395 1.00 42.34 H new ATOM 0 HB3 GLN A 779 1.357 -9.034 3.995 1.00 42.34 H new ATOM 0 HG2 GLN A 779 -0.086 -9.101 6.094 1.00 22.42 H new ATOM 0 HG3 GLN A 779 -0.760 -10.603 5.493 1.00 22.42 H new ATOM 0 HE21 GLN A 779 2.125 -8.992 6.720 1.00 24.02 H new ATOM 0 HE22 GLN A 779 3.038 -10.462 7.072 1.00 24.02 H new ATOM 1147 N GLY A 780 -0.292 -8.280 1.136 1.00 21.22 N ATOM 1148 CA GLY A 780 0.153 -7.574 -0.053 1.00 41.55 C ATOM 1149 C GLY A 780 -0.464 -6.193 -0.149 1.00 54.14 C ATOM 1150 O GLY A 780 0.215 -5.215 -0.462 1.00 34.11 O ATOM 0 H GLY A 780 -0.738 -9.180 0.957 1.00 21.22 H new ATOM 0 HA2 GLY A 780 1.239 -7.487 -0.039 1.00 41.55 H new ATOM 0 HA3 GLY A 780 -0.109 -8.152 -0.939 1.00 41.55 H new ATOM 1154 N LYS A 781 -1.758 -6.118 0.145 1.00 34.45 N ATOM 1155 CA LYS A 781 -2.477 -4.849 0.163 1.00 11.11 C ATOM 1156 C LYS A 781 -1.935 -3.946 1.266 1.00 13.41 C ATOM 1157 O LYS A 781 -1.726 -2.752 1.060 1.00 51.14 O ATOM 1158 CB LYS A 781 -3.973 -5.094 0.382 1.00 21.42 C ATOM 1159 CG LYS A 781 -4.605 -6.002 -0.664 1.00 34.22 C ATOM 1160 CD LYS A 781 -6.049 -6.367 -0.327 1.00 10.21 C ATOM 1161 CE LYS A 781 -7.018 -5.210 -0.557 1.00 61.40 C ATOM 1162 NZ LYS A 781 -6.878 -4.129 0.455 1.00 2.35 N ATOM 0 H LYS A 781 -2.334 -6.928 0.376 1.00 34.45 H new ATOM 0 HA LYS A 781 -2.332 -4.356 -0.798 1.00 11.11 H new ATOM 0 HB2 LYS A 781 -4.119 -5.534 1.368 1.00 21.42 H new ATOM 0 HB3 LYS A 781 -4.493 -4.136 0.380 1.00 21.42 H new ATOM 0 HG2 LYS A 781 -4.576 -5.507 -1.635 1.00 34.22 H new ATOM 0 HG3 LYS A 781 -4.015 -6.914 -0.753 1.00 34.22 H new ATOM 0 HD2 LYS A 781 -6.355 -7.218 -0.935 1.00 10.21 H new ATOM 0 HD3 LYS A 781 -6.106 -6.682 0.715 1.00 10.21 H new ATOM 0 HE2 LYS A 781 -6.851 -4.795 -1.551 1.00 61.40 H new ATOM 0 HE3 LYS A 781 -8.040 -5.589 -0.538 1.00 61.40 H new ATOM 0 HZ1 LYS A 781 -7.821 -3.787 0.730 1.00 2.35 H new ATOM 0 HZ2 LYS A 781 -6.386 -4.500 1.293 1.00 2.35 H new ATOM 0 HZ3 LYS A 781 -6.329 -3.344 0.051 1.00 2.35 H new ATOM 1176 N GLN A 782 -1.699 -4.532 2.434 1.00 1.01 N ATOM 1177 CA GLN A 782 -1.210 -3.778 3.582 1.00 63.22 C ATOM 1178 C GLN A 782 0.208 -3.272 3.345 1.00 61.45 C ATOM 1179 O GLN A 782 0.495 -2.107 3.591 1.00 14.43 O ATOM 1180 CB GLN A 782 -1.248 -4.633 4.845 1.00 63.13 C ATOM 1181 CG GLN A 782 -2.643 -5.084 5.234 1.00 50.33 C ATOM 1182 CD GLN A 782 -2.662 -5.875 6.527 1.00 15.41 C ATOM 1183 OE1 GLN A 782 -3.645 -5.848 7.268 1.00 61.41 O ATOM 1184 NE2 GLN A 782 -1.581 -6.586 6.809 1.00 32.20 N ATOM 0 H GLN A 782 -1.838 -5.527 2.611 1.00 1.01 H new ATOM 0 HA GLN A 782 -1.867 -2.919 3.715 1.00 63.22 H new ATOM 0 HB2 GLN A 782 -0.620 -5.511 4.698 1.00 63.13 H new ATOM 0 HB3 GLN A 782 -0.816 -4.067 5.670 1.00 63.13 H new ATOM 0 HG2 GLN A 782 -3.287 -4.211 5.337 1.00 50.33 H new ATOM 0 HG3 GLN A 782 -3.060 -5.695 4.433 1.00 50.33 H new ATOM 0 HE21 GLN A 782 -0.787 -6.582 6.169 1.00 32.20 H new ATOM 0 HE22 GLN A 782 -1.543 -7.137 7.666 1.00 32.20 H new ATOM 1193 N GLU A 783 1.080 -4.148 2.862 1.00 21.23 N ATOM 1194 CA GLU A 783 2.473 -3.792 2.606 1.00 41.54 C ATOM 1195 C GLU A 783 2.568 -2.688 1.565 1.00 72.22 C ATOM 1196 O GLU A 783 3.374 -1.766 1.699 1.00 22.44 O ATOM 1197 CB GLU A 783 3.260 -5.019 2.141 1.00 1.43 C ATOM 1198 CG GLU A 783 3.445 -6.071 3.222 1.00 33.54 C ATOM 1199 CD GLU A 783 4.363 -5.609 4.331 1.00 60.42 C ATOM 1200 OE1 GLU A 783 3.908 -4.851 5.216 1.00 40.52 O ATOM 1201 OE2 GLU A 783 5.546 -6.005 4.324 1.00 12.24 O ATOM 0 H GLU A 783 0.847 -5.115 2.638 1.00 21.23 H new ATOM 0 HA GLU A 783 2.905 -3.426 3.538 1.00 41.54 H new ATOM 0 HB2 GLU A 783 2.746 -5.469 1.292 1.00 1.43 H new ATOM 0 HB3 GLU A 783 4.240 -4.699 1.787 1.00 1.43 H new ATOM 0 HG2 GLU A 783 2.473 -6.329 3.643 1.00 33.54 H new ATOM 0 HG3 GLU A 783 3.850 -6.979 2.775 1.00 33.54 H new ATOM 1208 N ALA A 784 1.739 -2.783 0.531 1.00 72.11 N ATOM 1209 CA ALA A 784 1.704 -1.769 -0.511 1.00 34.33 C ATOM 1210 C ALA A 784 1.319 -0.418 0.075 1.00 61.13 C ATOM 1211 O ALA A 784 2.023 0.572 -0.107 1.00 23.13 O ATOM 1212 CB ALA A 784 0.735 -2.168 -1.615 1.00 23.32 C ATOM 0 H ALA A 784 1.083 -3.552 0.394 1.00 72.11 H new ATOM 0 HA ALA A 784 2.701 -1.686 -0.944 1.00 34.33 H new ATOM 0 HB1 ALA A 784 0.723 -1.397 -2.385 1.00 23.32 H new ATOM 0 HB2 ALA A 784 1.053 -3.114 -2.054 1.00 23.32 H new ATOM 0 HB3 ALA A 784 -0.266 -2.280 -1.198 1.00 23.32 H new ATOM 1218 N ALA A 785 0.215 -0.393 0.803 1.00 20.41 N ATOM 1219 CA ALA A 785 -0.266 0.835 1.415 1.00 31.24 C ATOM 1220 C ALA A 785 0.724 1.356 2.452 1.00 71.30 C ATOM 1221 O ALA A 785 0.997 2.552 2.514 1.00 20.53 O ATOM 1222 CB ALA A 785 -1.624 0.599 2.047 1.00 5.23 C ATOM 0 H ALA A 785 -0.366 -1.211 0.985 1.00 20.41 H new ATOM 0 HA ALA A 785 -0.363 1.593 0.638 1.00 31.24 H new ATOM 0 HB1 ALA A 785 -1.978 1.523 2.504 1.00 5.23 H new ATOM 0 HB2 ALA A 785 -2.331 0.278 1.282 1.00 5.23 H new ATOM 0 HB3 ALA A 785 -1.540 -0.174 2.811 1.00 5.23 H new ATOM 1228 N ASP A 786 1.269 0.441 3.247 1.00 25.45 N ATOM 1229 CA ASP A 786 2.234 0.782 4.288 1.00 44.22 C ATOM 1230 C ASP A 786 3.434 1.508 3.698 1.00 3.22 C ATOM 1231 O ASP A 786 3.747 2.632 4.090 1.00 45.12 O ATOM 1232 CB ASP A 786 2.697 -0.487 5.010 1.00 0.12 C ATOM 1233 CG ASP A 786 3.733 -0.212 6.078 1.00 22.42 C ATOM 1234 OD1 ASP A 786 3.347 0.128 7.213 1.00 63.42 O ATOM 1235 OD2 ASP A 786 4.941 -0.365 5.793 1.00 50.23 O ATOM 0 H ASP A 786 1.056 -0.555 3.189 1.00 25.45 H new ATOM 0 HA ASP A 786 1.746 1.446 5.002 1.00 44.22 H new ATOM 0 HB2 ASP A 786 1.835 -0.975 5.464 1.00 0.12 H new ATOM 0 HB3 ASP A 786 3.110 -1.184 4.281 1.00 0.12 H new ATOM 1240 N ALA A 787 4.082 0.867 2.735 1.00 53.13 N ATOM 1241 CA ALA A 787 5.257 1.441 2.097 1.00 63.45 C ATOM 1242 C ALA A 787 4.901 2.721 1.348 1.00 35.41 C ATOM 1243 O ALA A 787 5.700 3.653 1.291 1.00 2.23 O ATOM 1244 CB ALA A 787 5.902 0.429 1.163 1.00 2.35 C ATOM 0 H ALA A 787 3.813 -0.050 2.379 1.00 53.13 H new ATOM 0 HA ALA A 787 5.976 1.698 2.875 1.00 63.45 H new ATOM 0 HB1 ALA A 787 6.779 0.874 0.694 1.00 2.35 H new ATOM 0 HB2 ALA A 787 6.202 -0.451 1.732 1.00 2.35 H new ATOM 0 HB3 ALA A 787 5.188 0.138 0.393 1.00 2.35 H new ATOM 1250 N ALA A 788 3.693 2.771 0.791 1.00 33.13 N ATOM 1251 CA ALA A 788 3.222 3.959 0.089 1.00 54.04 C ATOM 1252 C ALA A 788 3.135 5.147 1.039 1.00 41.34 C ATOM 1253 O ALA A 788 3.527 6.260 0.689 1.00 62.42 O ATOM 1254 CB ALA A 788 1.873 3.701 -0.561 1.00 1.34 C ATOM 0 H ALA A 788 3.024 2.002 0.813 1.00 33.13 H new ATOM 0 HA ALA A 788 3.942 4.196 -0.695 1.00 54.04 H new ATOM 0 HB1 ALA A 788 1.541 4.601 -1.079 1.00 1.34 H new ATOM 0 HB2 ALA A 788 1.964 2.883 -1.276 1.00 1.34 H new ATOM 0 HB3 ALA A 788 1.145 3.434 0.205 1.00 1.34 H new ATOM 1260 N LEU A 789 2.638 4.903 2.248 1.00 15.44 N ATOM 1261 CA LEU A 789 2.544 5.946 3.256 1.00 33.15 C ATOM 1262 C LEU A 789 3.939 6.407 3.645 1.00 31.12 C ATOM 1263 O LEU A 789 4.178 7.597 3.837 1.00 73.01 O ATOM 1264 CB LEU A 789 1.791 5.446 4.493 1.00 32.22 C ATOM 1265 CG LEU A 789 0.380 4.917 4.232 1.00 50.15 C ATOM 1266 CD1 LEU A 789 -0.304 4.550 5.539 1.00 70.55 C ATOM 1267 CD2 LEU A 789 -0.443 5.938 3.465 1.00 53.04 C ATOM 0 H LEU A 789 2.295 3.991 2.550 1.00 15.44 H new ATOM 0 HA LEU A 789 1.988 6.785 2.837 1.00 33.15 H new ATOM 0 HB2 LEU A 789 2.377 4.654 4.959 1.00 32.22 H new ATOM 0 HB3 LEU A 789 1.728 6.262 5.213 1.00 32.22 H new ATOM 0 HG LEU A 789 0.460 4.017 3.623 1.00 50.15 H new ATOM 0 HD11 LEU A 789 -1.307 4.176 5.332 1.00 70.55 H new ATOM 0 HD12 LEU A 789 0.274 3.778 6.048 1.00 70.55 H new ATOM 0 HD13 LEU A 789 -0.370 5.432 6.175 1.00 70.55 H new ATOM 0 HD21 LEU A 789 -1.443 5.542 3.290 1.00 53.04 H new ATOM 0 HD22 LEU A 789 -0.514 6.858 4.045 1.00 53.04 H new ATOM 0 HD23 LEU A 789 0.037 6.148 2.509 1.00 53.04 H new ATOM 1279 N ARG A 790 4.862 5.453 3.732 1.00 0.24 N ATOM 1280 CA ARG A 790 6.256 5.752 4.045 1.00 74.14 C ATOM 1281 C ARG A 790 6.842 6.695 2.998 1.00 31.50 C ATOM 1282 O ARG A 790 7.597 7.609 3.328 1.00 4.33 O ATOM 1283 CB ARG A 790 7.080 4.463 4.105 1.00 20.33 C ATOM 1284 CG ARG A 790 6.516 3.419 5.053 1.00 64.33 C ATOM 1285 CD ARG A 790 6.532 3.887 6.499 1.00 50.11 C ATOM 1286 NE ARG A 790 7.891 4.006 7.020 1.00 72.03 N ATOM 1287 CZ ARG A 790 8.343 3.326 8.072 1.00 21.24 C ATOM 1288 NH1 ARG A 790 7.541 2.497 8.727 1.00 45.02 N ATOM 1289 NH2 ARG A 790 9.600 3.469 8.462 1.00 70.51 N ATOM 0 H ARG A 790 4.668 4.462 3.589 1.00 0.24 H new ATOM 0 HA ARG A 790 6.293 6.238 5.020 1.00 74.14 H new ATOM 0 HB2 ARG A 790 7.142 4.036 3.104 1.00 20.33 H new ATOM 0 HB3 ARG A 790 8.097 4.707 4.411 1.00 20.33 H new ATOM 0 HG2 ARG A 790 5.493 3.181 4.761 1.00 64.33 H new ATOM 0 HG3 ARG A 790 7.095 2.500 4.964 1.00 64.33 H new ATOM 0 HD2 ARG A 790 6.029 4.851 6.574 1.00 50.11 H new ATOM 0 HD3 ARG A 790 5.968 3.185 7.114 1.00 50.11 H new ATOM 0 HE ARG A 790 8.531 4.647 6.551 1.00 72.03 H new ATOM 0 HH11 ARG A 790 6.574 2.378 8.425 1.00 45.02 H new ATOM 0 HH12 ARG A 790 7.891 1.978 9.532 1.00 45.02 H new ATOM 0 HH21 ARG A 790 10.222 4.100 7.957 1.00 70.51 H new ATOM 0 HH22 ARG A 790 9.946 2.948 9.268 1.00 70.51 H new ATOM 1303 N VAL A 791 6.476 6.465 1.741 1.00 34.22 N ATOM 1304 CA VAL A 791 6.890 7.329 0.641 1.00 42.51 C ATOM 1305 C VAL A 791 6.395 8.756 0.866 1.00 74.24 C ATOM 1306 O VAL A 791 7.174 9.709 0.830 1.00 1.41 O ATOM 1307 CB VAL A 791 6.349 6.816 -0.713 1.00 64.34 C ATOM 1308 CG1 VAL A 791 6.764 7.734 -1.851 1.00 45.24 C ATOM 1309 CG2 VAL A 791 6.819 5.397 -0.982 1.00 51.25 C ATOM 0 H VAL A 791 5.889 5.681 1.457 1.00 34.22 H new ATOM 0 HA VAL A 791 7.980 7.317 0.612 1.00 42.51 H new ATOM 0 HB VAL A 791 5.261 6.814 -0.655 1.00 64.34 H new ATOM 0 HG11 VAL A 791 6.370 7.349 -2.791 1.00 45.24 H new ATOM 0 HG12 VAL A 791 6.369 8.734 -1.674 1.00 45.24 H new ATOM 0 HG13 VAL A 791 7.852 7.778 -1.905 1.00 45.24 H new ATOM 0 HG21 VAL A 791 6.425 5.059 -1.940 1.00 51.25 H new ATOM 0 HG22 VAL A 791 7.908 5.373 -1.009 1.00 51.25 H new ATOM 0 HG23 VAL A 791 6.461 4.739 -0.190 1.00 51.25 H new ATOM 1319 N LEU A 792 5.101 8.880 1.121 1.00 13.42 N ATOM 1320 CA LEU A 792 4.460 10.178 1.308 1.00 65.40 C ATOM 1321 C LEU A 792 5.067 10.915 2.500 1.00 32.24 C ATOM 1322 O LEU A 792 5.446 12.085 2.399 1.00 33.44 O ATOM 1323 CB LEU A 792 2.958 9.979 1.524 1.00 52.02 C ATOM 1324 CG LEU A 792 2.287 9.032 0.527 1.00 43.13 C ATOM 1325 CD1 LEU A 792 0.830 8.812 0.894 1.00 22.34 C ATOM 1326 CD2 LEU A 792 2.409 9.566 -0.892 1.00 50.24 C ATOM 0 H LEU A 792 4.465 8.087 1.204 1.00 13.42 H new ATOM 0 HA LEU A 792 4.623 10.782 0.415 1.00 65.40 H new ATOM 0 HB2 LEU A 792 2.798 9.596 2.532 1.00 52.02 H new ATOM 0 HB3 LEU A 792 2.465 10.950 1.470 1.00 52.02 H new ATOM 0 HG LEU A 792 2.800 8.071 0.573 1.00 43.13 H new ATOM 0 HD11 LEU A 792 0.371 8.136 0.173 1.00 22.34 H new ATOM 0 HD12 LEU A 792 0.768 8.376 1.891 1.00 22.34 H new ATOM 0 HD13 LEU A 792 0.304 9.766 0.882 1.00 22.34 H new ATOM 0 HD21 LEU A 792 1.925 8.876 -1.583 1.00 50.24 H new ATOM 0 HD22 LEU A 792 1.927 10.542 -0.956 1.00 50.24 H new ATOM 0 HD23 LEU A 792 3.462 9.663 -1.155 1.00 50.24 H new ATOM 1338 N ILE A 793 5.160 10.212 3.622 1.00 21.14 N ATOM 1339 CA ILE A 793 5.751 10.758 4.837 1.00 53.52 C ATOM 1340 C ILE A 793 7.205 11.170 4.601 1.00 3.32 C ATOM 1341 O ILE A 793 7.644 12.231 5.057 1.00 23.11 O ATOM 1342 CB ILE A 793 5.676 9.729 5.990 1.00 72.41 C ATOM 1343 CG1 ILE A 793 4.212 9.380 6.284 1.00 61.50 C ATOM 1344 CG2 ILE A 793 6.356 10.267 7.244 1.00 4.20 C ATOM 1345 CD1 ILE A 793 4.029 8.185 7.195 1.00 64.02 C ATOM 0 H ILE A 793 4.829 9.252 3.715 1.00 21.14 H new ATOM 0 HA ILE A 793 5.180 11.644 5.116 1.00 53.52 H new ATOM 0 HB ILE A 793 6.202 8.825 5.682 1.00 72.41 H new ATOM 0 HG12 ILE A 793 3.728 10.245 6.737 1.00 61.50 H new ATOM 0 HG13 ILE A 793 3.700 9.186 5.341 1.00 61.50 H new ATOM 0 HG21 ILE A 793 6.290 9.526 8.040 1.00 4.20 H new ATOM 0 HG22 ILE A 793 7.404 10.476 7.029 1.00 4.20 H new ATOM 0 HG23 ILE A 793 5.861 11.185 7.561 1.00 4.20 H new ATOM 0 HD11 ILE A 793 2.965 8.006 7.352 1.00 64.02 H new ATOM 0 HD12 ILE A 793 4.481 7.305 6.737 1.00 64.02 H new ATOM 0 HD13 ILE A 793 4.509 8.381 8.154 1.00 64.02 H new ATOM 1357 N GLY A 794 7.936 10.338 3.866 1.00 43.11 N ATOM 1358 CA GLY A 794 9.330 10.613 3.582 1.00 22.11 C ATOM 1359 C GLY A 794 9.520 11.843 2.716 1.00 60.44 C ATOM 1360 O GLY A 794 10.385 12.676 2.995 1.00 43.22 O ATOM 0 H GLY A 794 7.583 9.472 3.460 1.00 43.11 H new ATOM 0 HA2 GLY A 794 9.868 10.748 4.520 1.00 22.11 H new ATOM 0 HA3 GLY A 794 9.772 9.751 3.083 1.00 22.11 H new ATOM 1364 N GLU A 795 8.699 11.969 1.676 1.00 30.12 N ATOM 1365 CA GLU A 795 8.790 13.104 0.763 1.00 72.01 C ATOM 1366 C GLU A 795 8.510 14.412 1.489 1.00 65.02 C ATOM 1367 O GLU A 795 9.227 15.396 1.309 1.00 4.43 O ATOM 1368 CB GLU A 795 7.814 12.951 -0.406 1.00 22.03 C ATOM 1369 CG GLU A 795 8.170 11.816 -1.348 1.00 15.15 C ATOM 1370 CD GLU A 795 7.373 11.857 -2.632 1.00 3.24 C ATOM 1371 OE1 GLU A 795 7.577 12.800 -3.425 1.00 54.33 O ATOM 1372 OE2 GLU A 795 6.565 10.939 -2.867 1.00 65.13 O ATOM 0 H GLU A 795 7.965 11.300 1.445 1.00 30.12 H new ATOM 0 HA GLU A 795 9.808 13.125 0.373 1.00 72.01 H new ATOM 0 HB2 GLU A 795 6.811 12.785 -0.012 1.00 22.03 H new ATOM 0 HB3 GLU A 795 7.785 13.884 -0.969 1.00 22.03 H new ATOM 0 HG2 GLU A 795 9.233 11.863 -1.583 1.00 15.15 H new ATOM 0 HG3 GLU A 795 7.996 10.864 -0.847 1.00 15.15 H new ATOM 1379 N ASN A 796 7.472 14.417 2.312 1.00 10.50 N ATOM 1380 CA ASN A 796 7.109 15.610 3.064 1.00 42.44 C ATOM 1381 C ASN A 796 8.192 15.959 4.076 1.00 63.42 C ATOM 1382 O ASN A 796 8.487 17.133 4.304 1.00 54.22 O ATOM 1383 CB ASN A 796 5.766 15.421 3.770 1.00 60.22 C ATOM 1384 CG ASN A 796 5.380 16.625 4.610 1.00 20.00 C ATOM 1385 OD1 ASN A 796 4.825 17.598 4.101 1.00 65.51 O ATOM 1386 ND2 ASN A 796 5.640 16.555 5.907 1.00 3.20 N ATOM 0 H ASN A 796 6.868 13.612 2.476 1.00 10.50 H new ATOM 0 HA ASN A 796 7.014 16.435 2.359 1.00 42.44 H new ATOM 0 HB2 ASN A 796 4.991 15.236 3.027 1.00 60.22 H new ATOM 0 HB3 ASN A 796 5.814 14.538 4.407 1.00 60.22 H new ATOM 0 HD21 ASN A 796 5.378 17.326 6.522 1.00 3.20 H new ATOM 0 HD22 ASN A 796 6.102 15.731 6.291 1.00 3.20 H new