USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 438 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 677 CYS SG : rot 177:sc= 0.622 USER MOD Set 1.2: A 680 CYS SG : rot -67:sc= -1.74! USER MOD Set 1.3: A 703 CYS SG : rot -125:sc= -0.0417 USER MOD Set 1.4: A 706 CYS SG : rot 142:sc= 0.397 USER MOD Set 2.1: A 695 ASN : amide:sc= -0.316 K(o=0.18,f=-5.4!) USER MOD Set 2.2: A 699 LYS NZ :NH3+ -153:sc= 0.499 (180deg=0) USER MOD Set 3.1: A 661 CYS SG : rot -117:sc= -3.27! USER MOD Set 3.2: A 663 CYS SG : rot 178:sc= -1.48! USER MOD Set 3.3: A 685 HIS : no HD1:sc= -4.36! K(o=-13!,f=-11) USER MOD Set 3.4: A 688 CYS SG : rot 60:sc= -3.63! USER MOD Single : A 668 GLN : amide:sc= -1.42 K(o=-1.4,f=-5.8!) USER MOD Single : A 672 LYS NZ :NH3+ -135:sc= 0.385 (180deg=0.309) USER MOD Single : A 676 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4.4!) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 684 GLN : amide:sc= -4.07! C(o=-4.1!,f=-3!) USER MOD Single : A 687 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 690 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 691 TYR OH : rot -111:sc= 0.642 USER MOD Single : A 694 LYS NZ :NH3+ 144:sc= 0.613 (180deg=-0.0159) USER MOD Single : A 697 LYS NZ :NH3+ 167:sc= 0.983 (180deg=0.832) USER MOD Single : A 702 TYR OH : rot 180:sc= 0 USER MOD Single : A 705 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 710 MET CE :methyl -177:sc= -0.37 (180deg=-0.419) USER MOD ----------------------------------------------------------------- ATOM 93 N ARG A 658 -8.119 -7.044 -10.356 1.00 0.00 N ATOM 94 CA ARG A 658 -9.413 -7.722 -10.551 1.00 0.00 C ATOM 95 C ARG A 658 -9.559 -8.112 -12.037 1.00 0.00 C ATOM 96 O ARG A 658 -10.109 -7.347 -12.846 1.00 0.00 O ATOM 97 CB ARG A 658 -10.601 -6.820 -10.074 1.00 0.00 C ATOM 98 CG ARG A 658 -10.540 -6.344 -8.590 1.00 0.00 C ATOM 99 CD ARG A 658 -9.582 -5.152 -8.368 1.00 0.00 C ATOM 100 NE ARG A 658 -9.420 -4.819 -6.938 1.00 0.00 N ATOM 101 CZ ARG A 658 -9.104 -3.611 -6.444 1.00 0.00 C ATOM 102 NH1 ARG A 658 -9.006 -2.552 -7.237 1.00 0.00 N ATOM 103 NH2 ARG A 658 -8.900 -3.464 -5.146 1.00 0.00 N ATOM 0 HA ARG A 658 -9.442 -8.627 -9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -10.645 -5.940 -10.716 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -11.531 -7.369 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -11.541 -6.061 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -10.224 -7.177 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -8.608 -5.388 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -9.962 -4.280 -8.901 1.00 0.00 H new ATOM 0 HE ARG A 658 -9.561 -5.574 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -9.172 -2.648 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -8.765 -1.642 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -8.983 -4.267 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -8.660 -2.548 -4.768 1.00 0.00 H new ATOM 117 N PHE A 659 -9.005 -9.286 -12.395 1.00 0.00 N ATOM 118 CA PHE A 659 -9.016 -9.803 -13.776 1.00 0.00 C ATOM 119 C PHE A 659 -10.242 -10.706 -14.028 1.00 0.00 C ATOM 120 O PHE A 659 -10.243 -11.892 -13.688 1.00 0.00 O ATOM 121 CB PHE A 659 -7.661 -10.513 -14.136 1.00 0.00 C ATOM 122 CG PHE A 659 -6.982 -11.308 -13.006 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.331 -12.629 -12.737 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.990 -10.718 -12.218 1.00 0.00 C ATOM 125 CE1 PHE A 659 -6.714 -13.337 -11.720 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.376 -11.425 -11.199 1.00 0.00 C ATOM 127 CZ PHE A 659 -5.736 -12.731 -10.951 1.00 0.00 C ATOM 0 H PHE A 659 -8.536 -9.904 -11.733 1.00 0.00 H new ATOM 0 HA PHE A 659 -9.109 -8.952 -14.451 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.842 -11.192 -14.970 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.961 -9.755 -14.488 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -8.095 -13.109 -13.331 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.698 -9.695 -12.407 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -6.996 -14.362 -11.527 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.614 -10.952 -10.598 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.255 -13.282 -10.156 1.00 0.00 H new ATOM 137 N GLU A 660 -11.308 -10.082 -14.554 1.00 0.00 N ATOM 138 CA GLU A 660 -12.475 -10.773 -15.136 1.00 0.00 C ATOM 139 C GLU A 660 -13.174 -9.765 -16.075 1.00 0.00 C ATOM 140 O GLU A 660 -13.097 -8.552 -15.848 1.00 0.00 O ATOM 141 CB GLU A 660 -13.469 -11.312 -14.037 1.00 0.00 C ATOM 142 CG GLU A 660 -14.157 -12.681 -14.337 1.00 0.00 C ATOM 143 CD GLU A 660 -14.977 -12.730 -15.649 1.00 0.00 C ATOM 144 OE1 GLU A 660 -16.092 -12.159 -15.690 1.00 0.00 O ATOM 145 OE2 GLU A 660 -14.501 -13.300 -16.651 1.00 0.00 O ATOM 0 H GLU A 660 -11.387 -9.066 -14.588 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.144 -11.655 -15.684 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -12.924 -11.402 -13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -14.247 -10.564 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -13.390 -13.454 -14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -14.816 -12.929 -13.505 1.00 0.00 H new ATOM 152 N CYS A 661 -13.842 -10.293 -17.104 1.00 0.00 N ATOM 153 CA CYS A 661 -14.477 -9.529 -18.190 1.00 0.00 C ATOM 154 C CYS A 661 -15.455 -8.436 -17.724 1.00 0.00 C ATOM 155 O CYS A 661 -16.120 -8.585 -16.696 1.00 0.00 O ATOM 156 CB CYS A 661 -15.212 -10.503 -19.111 1.00 0.00 C ATOM 157 SG CYS A 661 -15.927 -9.698 -20.577 1.00 0.00 S ATOM 0 H CYS A 661 -13.962 -11.300 -17.211 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.672 -9.005 -18.705 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.520 -11.282 -19.433 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.007 -10.995 -18.550 1.00 0.00 H new ATOM 0 HG CYS A 661 -17.222 -9.814 -20.548 1.00 0.00 H new ATOM 162 N ILE A 662 -15.559 -7.364 -18.552 1.00 0.00 N ATOM 163 CA ILE A 662 -16.382 -6.165 -18.267 1.00 0.00 C ATOM 164 C ILE A 662 -17.873 -6.502 -17.984 1.00 0.00 C ATOM 165 O ILE A 662 -18.514 -5.824 -17.178 1.00 0.00 O ATOM 166 CB ILE A 662 -16.269 -5.104 -19.443 1.00 0.00 C ATOM 167 CG1 ILE A 662 -16.686 -5.727 -20.822 1.00 0.00 C ATOM 168 CG2 ILE A 662 -14.834 -4.510 -19.526 1.00 0.00 C ATOM 169 CD1 ILE A 662 -16.789 -4.735 -21.970 1.00 0.00 C ATOM 0 H ILE A 662 -15.068 -7.310 -19.444 1.00 0.00 H new ATOM 0 HA ILE A 662 -15.977 -5.730 -17.353 1.00 0.00 H new ATOM 0 HB ILE A 662 -16.963 -4.295 -19.216 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -15.962 -6.496 -21.090 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -17.649 -6.224 -20.703 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -14.786 -3.787 -20.340 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -14.590 -4.015 -18.586 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -14.119 -5.311 -19.710 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -17.082 -5.260 -22.879 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -17.536 -3.978 -21.731 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -15.823 -4.255 -22.124 1.00 0.00 H new ATOM 181 N CYS A 663 -18.415 -7.557 -18.638 1.00 0.00 N ATOM 182 CA CYS A 663 -19.834 -7.973 -18.448 1.00 0.00 C ATOM 183 C CYS A 663 -20.027 -8.761 -17.135 1.00 0.00 C ATOM 184 O CYS A 663 -21.067 -8.641 -16.483 1.00 0.00 O ATOM 185 CB CYS A 663 -20.328 -8.840 -19.619 1.00 0.00 C ATOM 186 SG CYS A 663 -19.527 -10.463 -19.728 1.00 0.00 S ATOM 0 H CYS A 663 -17.898 -8.136 -19.300 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.418 -7.054 -18.404 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.404 -8.984 -19.522 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.161 -8.301 -20.552 1.00 0.00 H new ATOM 0 HG CYS A 663 -20.040 -11.135 -20.716 1.00 0.00 H new ATOM 191 N GLY A 664 -19.010 -9.559 -16.762 1.00 0.00 N ATOM 192 CA GLY A 664 -19.105 -10.467 -15.619 1.00 0.00 C ATOM 193 C GLY A 664 -19.893 -11.739 -15.954 1.00 0.00 C ATOM 194 O GLY A 664 -21.078 -11.850 -15.622 1.00 0.00 O ATOM 0 H GLY A 664 -18.111 -9.588 -17.243 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -18.102 -10.739 -15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.586 -9.952 -14.787 1.00 0.00 H new ATOM 198 N GLU A 665 -19.229 -12.689 -16.639 1.00 0.00 N ATOM 199 CA GLU A 665 -19.830 -13.983 -17.067 1.00 0.00 C ATOM 200 C GLU A 665 -18.840 -15.139 -16.807 1.00 0.00 C ATOM 201 O GLU A 665 -17.768 -14.939 -16.219 1.00 0.00 O ATOM 202 CB GLU A 665 -20.193 -13.968 -18.586 1.00 0.00 C ATOM 203 CG GLU A 665 -21.347 -13.059 -19.028 1.00 0.00 C ATOM 204 CD GLU A 665 -21.565 -13.111 -20.557 1.00 0.00 C ATOM 205 OE1 GLU A 665 -20.680 -12.636 -21.316 1.00 0.00 O ATOM 206 OE2 GLU A 665 -22.588 -13.665 -21.015 1.00 0.00 O ATOM 0 H GLU A 665 -18.253 -12.587 -16.917 1.00 0.00 H new ATOM 0 HA GLU A 665 -20.741 -14.128 -16.487 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -19.302 -13.676 -19.142 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -20.435 -14.988 -18.884 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -22.263 -13.361 -18.520 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -21.138 -12.033 -18.725 1.00 0.00 H new ATOM 213 N LEU A 666 -19.233 -16.349 -17.245 1.00 0.00 N ATOM 214 CA LEU A 666 -18.374 -17.542 -17.238 1.00 0.00 C ATOM 215 C LEU A 666 -17.304 -17.435 -18.340 1.00 0.00 C ATOM 216 O LEU A 666 -17.628 -17.258 -19.527 1.00 0.00 O ATOM 217 CB LEU A 666 -19.238 -18.811 -17.438 1.00 0.00 C ATOM 218 CG LEU A 666 -20.271 -19.111 -16.300 1.00 0.00 C ATOM 219 CD1 LEU A 666 -21.181 -20.307 -16.663 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.560 -19.337 -14.943 1.00 0.00 C ATOM 0 H LEU A 666 -20.166 -16.525 -17.617 1.00 0.00 H new ATOM 0 HA LEU A 666 -17.867 -17.611 -16.276 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.779 -18.716 -18.380 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -18.574 -19.669 -17.537 1.00 0.00 H new ATOM 0 HG LEU A 666 -20.910 -18.234 -16.197 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -21.886 -20.488 -15.851 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.730 -20.082 -17.577 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -20.569 -21.196 -16.817 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -20.303 -19.543 -14.173 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -18.879 -20.184 -15.026 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -18.997 -18.443 -14.674 1.00 0.00 H new ATOM 232 N ASP A 667 -16.040 -17.534 -17.926 1.00 0.00 N ATOM 233 CA ASP A 667 -14.880 -17.338 -18.796 1.00 0.00 C ATOM 234 C ASP A 667 -14.312 -18.708 -19.250 1.00 0.00 C ATOM 235 O ASP A 667 -13.255 -19.161 -18.789 1.00 0.00 O ATOM 236 CB ASP A 667 -13.848 -16.470 -18.022 1.00 0.00 C ATOM 237 CG ASP A 667 -12.580 -16.116 -18.819 1.00 0.00 C ATOM 238 OD1 ASP A 667 -12.664 -15.283 -19.747 1.00 0.00 O ATOM 239 OD2 ASP A 667 -11.501 -16.678 -18.521 1.00 0.00 O ATOM 0 H ASP A 667 -15.790 -17.756 -16.962 1.00 0.00 H new ATOM 0 HA ASP A 667 -15.152 -16.813 -19.712 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -14.333 -15.546 -17.708 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.555 -17.000 -17.116 1.00 0.00 H new ATOM 244 N GLN A 668 -15.101 -19.406 -20.095 1.00 0.00 N ATOM 245 CA GLN A 668 -14.624 -20.566 -20.894 1.00 0.00 C ATOM 246 C GLN A 668 -15.408 -20.630 -22.228 1.00 0.00 C ATOM 247 O GLN A 668 -16.618 -20.373 -22.249 1.00 0.00 O ATOM 248 CB GLN A 668 -14.697 -21.924 -20.121 1.00 0.00 C ATOM 249 CG GLN A 668 -16.108 -22.454 -19.779 1.00 0.00 C ATOM 250 CD GLN A 668 -16.886 -21.624 -18.739 1.00 0.00 C ATOM 251 OE1 GLN A 668 -18.109 -21.539 -18.799 1.00 0.00 O ATOM 252 NE2 GLN A 668 -16.192 -21.033 -17.758 1.00 0.00 N ATOM 0 H GLN A 668 -16.085 -19.185 -20.246 1.00 0.00 H new ATOM 0 HA GLN A 668 -13.565 -20.409 -21.100 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -14.184 -22.681 -20.714 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -14.139 -21.816 -19.191 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -16.694 -22.499 -20.697 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -16.015 -23.475 -19.410 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -15.176 -21.118 -17.729 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -16.679 -20.498 -17.039 1.00 0.00 H new ATOM 261 N ILE A 669 -14.705 -20.996 -23.333 1.00 0.00 N ATOM 262 CA ILE A 669 -15.245 -20.936 -24.726 1.00 0.00 C ATOM 263 C ILE A 669 -16.443 -21.904 -24.915 1.00 0.00 C ATOM 264 O ILE A 669 -17.312 -21.678 -25.775 1.00 0.00 O ATOM 265 CB ILE A 669 -14.095 -21.197 -25.799 1.00 0.00 C ATOM 266 CG1 ILE A 669 -12.981 -20.099 -25.672 1.00 0.00 C ATOM 267 CG2 ILE A 669 -14.638 -21.246 -27.255 1.00 0.00 C ATOM 268 CD1 ILE A 669 -11.808 -20.212 -26.636 1.00 0.00 C ATOM 0 H ILE A 669 -13.747 -21.342 -23.287 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.623 -19.927 -24.893 1.00 0.00 H new ATOM 0 HB ILE A 669 -13.670 -22.177 -25.584 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -13.446 -19.123 -25.812 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.591 -20.124 -24.654 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -13.814 -21.426 -27.945 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -15.368 -22.050 -27.344 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -15.114 -20.296 -27.498 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -11.106 -19.399 -26.451 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -11.305 -21.167 -26.486 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -12.173 -20.151 -27.661 1.00 0.00 H new ATOM 280 N ASP A 670 -16.498 -22.942 -24.057 1.00 0.00 N ATOM 281 CA ASP A 670 -17.603 -23.928 -24.021 1.00 0.00 C ATOM 282 C ASP A 670 -18.983 -23.240 -23.786 1.00 0.00 C ATOM 283 O ASP A 670 -20.015 -23.687 -24.299 1.00 0.00 O ATOM 284 CB ASP A 670 -17.303 -24.984 -22.917 1.00 0.00 C ATOM 285 CG ASP A 670 -18.321 -26.145 -22.831 1.00 0.00 C ATOM 286 OD1 ASP A 670 -18.652 -26.741 -23.883 1.00 0.00 O ATOM 287 OD2 ASP A 670 -18.772 -26.485 -21.716 1.00 0.00 O ATOM 0 H ASP A 670 -15.773 -23.123 -23.363 1.00 0.00 H new ATOM 0 HA ASP A 670 -17.665 -24.425 -24.989 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -16.312 -25.402 -23.094 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -17.268 -24.479 -21.952 1.00 0.00 H new ATOM 292 N ARG A 671 -18.976 -22.158 -22.980 1.00 0.00 N ATOM 293 CA ARG A 671 -20.150 -21.274 -22.771 1.00 0.00 C ATOM 294 C ARG A 671 -20.031 -20.040 -23.683 1.00 0.00 C ATOM 295 O ARG A 671 -20.781 -19.900 -24.653 1.00 0.00 O ATOM 296 CB ARG A 671 -20.280 -20.860 -21.264 1.00 0.00 C ATOM 297 CG ARG A 671 -21.202 -21.757 -20.381 1.00 0.00 C ATOM 298 CD ARG A 671 -20.801 -23.256 -20.311 1.00 0.00 C ATOM 299 NE ARG A 671 -21.234 -24.027 -21.502 1.00 0.00 N ATOM 300 CZ ARG A 671 -21.723 -25.277 -21.493 1.00 0.00 C ATOM 301 NH1 ARG A 671 -21.908 -25.927 -20.352 1.00 0.00 N ATOM 302 NH2 ARG A 671 -22.005 -25.878 -22.632 1.00 0.00 N ATOM 0 H ARG A 671 -18.153 -21.868 -22.451 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.058 -21.817 -23.034 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -19.283 -20.854 -20.823 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -20.654 -19.837 -21.221 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -21.212 -21.353 -19.369 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -22.221 -21.688 -20.762 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -19.718 -23.333 -20.209 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -21.238 -23.702 -19.417 1.00 0.00 H new ATOM 0 HE ARG A 671 -21.153 -23.566 -22.408 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -21.678 -25.477 -19.466 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -22.280 -26.877 -20.361 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -21.851 -25.393 -23.516 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -22.377 -26.828 -22.629 1.00 0.00 H new ATOM 316 N LYS A 672 -19.059 -19.163 -23.370 1.00 0.00 N ATOM 317 CA LYS A 672 -18.830 -17.907 -24.110 1.00 0.00 C ATOM 318 C LYS A 672 -17.378 -17.848 -24.604 1.00 0.00 C ATOM 319 O LYS A 672 -16.463 -17.999 -23.784 1.00 0.00 O ATOM 320 CB LYS A 672 -19.124 -16.671 -23.209 1.00 0.00 C ATOM 321 CG LYS A 672 -20.602 -16.512 -22.789 1.00 0.00 C ATOM 322 CD LYS A 672 -21.560 -16.265 -23.986 1.00 0.00 C ATOM 323 CE LYS A 672 -21.309 -14.923 -24.699 1.00 0.00 C ATOM 324 NZ LYS A 672 -21.598 -13.763 -23.816 1.00 0.00 N ATOM 0 H LYS A 672 -18.410 -19.305 -22.596 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.508 -17.885 -24.963 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -18.511 -16.740 -22.310 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -18.813 -15.771 -23.739 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -20.920 -17.409 -22.258 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -20.686 -15.681 -22.089 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.449 -17.077 -24.705 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -22.590 -16.293 -23.630 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -20.272 -14.877 -25.031 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -21.932 -14.864 -25.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.146 -13.054 -24.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.146 -14.082 -22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -20.704 -13.340 -23.494 1.00 0.00 H new ATOM 338 N PRO A 673 -17.130 -17.583 -25.936 1.00 0.00 N ATOM 339 CA PRO A 673 -15.763 -17.429 -26.470 1.00 0.00 C ATOM 340 C PRO A 673 -15.035 -16.281 -25.753 1.00 0.00 C ATOM 341 O PRO A 673 -15.593 -15.190 -25.622 1.00 0.00 O ATOM 342 CB PRO A 673 -15.959 -17.146 -27.981 1.00 0.00 C ATOM 343 CG PRO A 673 -17.409 -16.816 -28.166 1.00 0.00 C ATOM 344 CD PRO A 673 -18.159 -17.428 -26.993 1.00 0.00 C ATOM 0 HA PRO A 673 -15.143 -18.312 -26.313 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -15.328 -16.319 -28.306 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -15.679 -18.014 -28.578 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -17.558 -15.737 -28.197 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -17.778 -17.216 -29.110 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.974 -16.783 -26.663 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.601 -18.388 -27.261 1.00 0.00 H new ATOM 352 N ARG A 674 -13.800 -16.546 -25.293 1.00 0.00 N ATOM 353 CA ARG A 674 -13.110 -15.697 -24.311 1.00 0.00 C ATOM 354 C ARG A 674 -11.656 -15.418 -24.713 1.00 0.00 C ATOM 355 O ARG A 674 -10.890 -16.331 -25.021 1.00 0.00 O ATOM 356 CB ARG A 674 -13.242 -16.314 -22.879 1.00 0.00 C ATOM 357 CG ARG A 674 -13.209 -17.856 -22.810 1.00 0.00 C ATOM 358 CD ARG A 674 -11.815 -18.473 -22.616 1.00 0.00 C ATOM 359 NE ARG A 674 -11.432 -18.516 -21.192 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.530 -19.341 -20.650 1.00 0.00 C ATOM 361 NH1 ARG A 674 -9.889 -20.229 -21.386 1.00 0.00 N ATOM 362 NH2 ARG A 674 -10.271 -19.260 -19.357 1.00 0.00 N ATOM 0 H ARG A 674 -13.254 -17.354 -25.592 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.596 -14.722 -24.293 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -12.435 -15.923 -22.259 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -14.178 -15.969 -22.439 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -13.850 -18.181 -21.990 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -13.640 -18.254 -23.729 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -11.803 -19.483 -23.027 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -11.079 -17.893 -23.174 1.00 0.00 H new ATOM 0 HE ARG A 674 -11.896 -17.858 -20.566 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -10.078 -20.294 -22.386 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -9.204 -20.850 -20.955 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -10.757 -18.573 -18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -9.585 -19.885 -18.934 1.00 0.00 H new ATOM 376 N VAL A 675 -11.324 -14.118 -24.715 1.00 0.00 N ATOM 377 CA VAL A 675 -10.012 -13.593 -25.092 1.00 0.00 C ATOM 378 C VAL A 675 -9.194 -13.253 -23.825 1.00 0.00 C ATOM 379 O VAL A 675 -9.468 -12.283 -23.100 1.00 0.00 O ATOM 380 CB VAL A 675 -10.145 -12.340 -26.061 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.767 -12.759 -27.411 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.957 -11.172 -25.454 1.00 0.00 C ATOM 0 H VAL A 675 -11.982 -13.387 -24.446 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.476 -14.363 -25.647 1.00 0.00 H new ATOM 0 HB VAL A 675 -9.130 -11.974 -26.215 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.849 -11.887 -28.060 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -10.133 -13.507 -27.887 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.758 -13.179 -27.240 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -11.006 -10.352 -26.171 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.966 -11.512 -25.222 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -10.472 -10.827 -24.541 1.00 0.00 H new ATOM 392 N GLN A 676 -8.223 -14.120 -23.533 1.00 0.00 N ATOM 393 CA GLN A 676 -7.268 -13.927 -22.437 1.00 0.00 C ATOM 394 C GLN A 676 -6.174 -12.978 -22.912 1.00 0.00 C ATOM 395 O GLN A 676 -5.247 -13.380 -23.622 1.00 0.00 O ATOM 396 CB GLN A 676 -6.696 -15.305 -21.959 1.00 0.00 C ATOM 397 CG GLN A 676 -7.653 -16.080 -21.024 1.00 0.00 C ATOM 398 CD GLN A 676 -9.033 -16.313 -21.626 1.00 0.00 C ATOM 399 OE1 GLN A 676 -9.162 -16.654 -22.800 1.00 0.00 O ATOM 400 NE2 GLN A 676 -10.068 -16.024 -20.865 1.00 0.00 N ATOM 0 H GLN A 676 -8.075 -14.984 -24.054 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.762 -13.482 -21.573 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -6.476 -15.920 -22.831 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.752 -15.137 -21.441 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -7.206 -17.043 -20.776 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -7.761 -15.529 -20.090 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.925 -15.744 -19.895 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -11.013 -16.080 -21.246 1.00 0.00 H new ATOM 409 N CYS A 677 -6.331 -11.693 -22.558 1.00 0.00 N ATOM 410 CA CYS A 677 -5.420 -10.635 -22.981 1.00 0.00 C ATOM 411 C CYS A 677 -4.081 -10.808 -22.262 1.00 0.00 C ATOM 412 O CYS A 677 -3.865 -10.256 -21.176 1.00 0.00 O ATOM 413 CB CYS A 677 -6.021 -9.256 -22.706 1.00 0.00 C ATOM 414 SG CYS A 677 -5.011 -7.894 -23.341 1.00 0.00 S ATOM 0 H CYS A 677 -7.097 -11.365 -21.969 1.00 0.00 H new ATOM 0 HA CYS A 677 -5.257 -10.708 -24.056 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -7.013 -9.204 -23.155 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -6.151 -9.132 -21.631 1.00 0.00 H new ATOM 0 HG CYS A 677 -5.615 -6.765 -23.117 1.00 0.00 H new ATOM 419 N LEU A 678 -3.227 -11.623 -22.889 1.00 0.00 N ATOM 420 CA LEU A 678 -1.956 -12.115 -22.329 1.00 0.00 C ATOM 421 C LEU A 678 -1.006 -10.985 -21.885 1.00 0.00 C ATOM 422 O LEU A 678 -0.278 -11.134 -20.902 1.00 0.00 O ATOM 423 CB LEU A 678 -1.304 -13.069 -23.378 1.00 0.00 C ATOM 424 CG LEU A 678 -1.112 -12.482 -24.835 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.300 -11.884 -25.048 1.00 0.00 C ATOM 426 CD2 LEU A 678 -1.458 -13.524 -25.931 1.00 0.00 C ATOM 0 H LEU A 678 -3.403 -11.972 -23.831 1.00 0.00 H new ATOM 0 HA LEU A 678 -2.162 -12.663 -21.410 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.328 -13.376 -23.001 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.916 -13.968 -23.449 1.00 0.00 H new ATOM 0 HG LEU A 678 -1.822 -11.661 -24.931 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.381 -11.495 -26.063 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.464 -11.076 -24.335 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.050 -12.660 -24.896 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -1.312 -13.079 -26.915 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.808 -14.392 -25.826 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -2.497 -13.834 -25.823 1.00 0.00 H new ATOM 438 N LYS A 679 -1.071 -9.840 -22.584 1.00 0.00 N ATOM 439 CA LYS A 679 -0.168 -8.702 -22.348 1.00 0.00 C ATOM 440 C LYS A 679 -0.470 -7.981 -21.000 1.00 0.00 C ATOM 441 O LYS A 679 0.414 -7.326 -20.438 1.00 0.00 O ATOM 442 CB LYS A 679 -0.236 -7.722 -23.552 1.00 0.00 C ATOM 443 CG LYS A 679 0.859 -6.624 -23.564 1.00 0.00 C ATOM 444 CD LYS A 679 0.900 -5.816 -24.886 1.00 0.00 C ATOM 445 CE LYS A 679 1.248 -6.692 -26.107 1.00 0.00 C ATOM 446 NZ LYS A 679 1.513 -5.886 -27.324 1.00 0.00 N ATOM 0 H LYS A 679 -1.750 -9.677 -23.328 1.00 0.00 H new ATOM 0 HA LYS A 679 0.849 -9.085 -22.264 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.163 -8.298 -24.475 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -1.213 -7.240 -23.554 1.00 0.00 H new ATOM 0 HG2 LYS A 679 0.687 -5.940 -22.733 1.00 0.00 H new ATOM 0 HG3 LYS A 679 1.831 -7.088 -23.399 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -0.068 -5.342 -25.048 1.00 0.00 H new ATOM 0 HD3 LYS A 679 1.635 -5.016 -24.796 1.00 0.00 H new ATOM 0 HE2 LYS A 679 2.125 -7.298 -25.878 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.426 -7.381 -26.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 1.742 -6.519 -28.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 0.669 -5.327 -27.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.314 -5.246 -27.149 1.00 0.00 H new ATOM 460 N CYS A 680 -1.712 -8.113 -20.467 1.00 0.00 N ATOM 461 CA CYS A 680 -2.070 -7.518 -19.145 1.00 0.00 C ATOM 462 C CYS A 680 -2.812 -8.532 -18.240 1.00 0.00 C ATOM 463 O CYS A 680 -3.390 -8.134 -17.220 1.00 0.00 O ATOM 464 CB CYS A 680 -2.916 -6.223 -19.330 1.00 0.00 C ATOM 465 SG CYS A 680 -4.629 -6.500 -19.874 1.00 0.00 S ATOM 0 H CYS A 680 -2.474 -8.617 -20.921 1.00 0.00 H new ATOM 0 HA CYS A 680 -1.138 -7.254 -18.645 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -2.933 -5.680 -18.385 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -2.418 -5.582 -20.057 1.00 0.00 H new ATOM 0 HG CYS A 680 -4.628 -6.980 -21.082 1.00 0.00 H new ATOM 470 N HIS A 681 -2.772 -9.842 -18.619 1.00 0.00 N ATOM 471 CA HIS A 681 -3.369 -10.966 -17.830 1.00 0.00 C ATOM 472 C HIS A 681 -4.869 -10.739 -17.521 1.00 0.00 C ATOM 473 O HIS A 681 -5.383 -11.209 -16.499 1.00 0.00 O ATOM 474 CB HIS A 681 -2.566 -11.208 -16.508 1.00 0.00 C ATOM 475 CG HIS A 681 -1.175 -11.768 -16.706 1.00 0.00 C ATOM 476 ND1 HIS A 681 -0.774 -12.988 -16.195 1.00 0.00 N ATOM 477 CD2 HIS A 681 -0.085 -11.260 -17.334 1.00 0.00 C ATOM 478 CE1 HIS A 681 0.483 -13.206 -16.508 1.00 0.00 C ATOM 479 NE2 HIS A 681 0.927 -12.176 -17.205 1.00 0.00 N ATOM 0 H HIS A 681 -2.324 -10.151 -19.482 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.300 -11.859 -18.452 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.489 -10.264 -15.968 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -3.132 -11.892 -15.876 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -0.025 -10.309 -17.842 1.00 0.00 H new ATOM 0 HE1 HIS A 681 1.057 -14.081 -16.240 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.868 -12.078 -17.585 1.00 0.00 H new ATOM 488 N LEU A 682 -5.583 -10.062 -18.439 1.00 0.00 N ATOM 489 CA LEU A 682 -6.984 -9.641 -18.222 1.00 0.00 C ATOM 490 C LEU A 682 -7.893 -10.583 -19.019 1.00 0.00 C ATOM 491 O LEU A 682 -7.763 -10.687 -20.246 1.00 0.00 O ATOM 492 CB LEU A 682 -7.161 -8.147 -18.655 1.00 0.00 C ATOM 493 CG LEU A 682 -8.415 -7.368 -18.120 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.738 -7.856 -18.737 1.00 0.00 C ATOM 495 CD2 LEU A 682 -8.472 -7.404 -16.584 1.00 0.00 C ATOM 0 H LEU A 682 -5.209 -9.791 -19.349 1.00 0.00 H new ATOM 0 HA LEU A 682 -7.254 -9.702 -17.168 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -6.271 -7.601 -18.343 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -7.188 -8.116 -19.744 1.00 0.00 H new ATOM 0 HG LEU A 682 -8.294 -6.333 -18.439 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.566 -7.278 -18.326 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.705 -7.725 -19.819 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.881 -8.911 -18.504 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -9.350 -6.857 -16.240 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -8.533 -8.439 -16.246 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -7.573 -6.942 -16.176 1.00 0.00 H new ATOM 507 N TRP A 683 -8.815 -11.250 -18.313 1.00 0.00 N ATOM 508 CA TRP A 683 -9.725 -12.237 -18.904 1.00 0.00 C ATOM 509 C TRP A 683 -10.959 -11.499 -19.444 1.00 0.00 C ATOM 510 O TRP A 683 -11.597 -10.760 -18.700 1.00 0.00 O ATOM 511 CB TRP A 683 -10.144 -13.307 -17.845 1.00 0.00 C ATOM 512 CG TRP A 683 -9.030 -13.833 -16.931 1.00 0.00 C ATOM 513 CD1 TRP A 683 -9.174 -14.163 -15.612 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.627 -14.074 -17.238 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.992 -14.603 -15.094 1.00 0.00 N ATOM 516 CE2 TRP A 683 -7.026 -14.553 -16.056 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.821 -13.947 -18.375 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.678 -14.891 -15.979 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.483 -14.279 -18.297 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.923 -14.753 -17.107 1.00 0.00 C ATOM 0 H TRP A 683 -8.951 -11.119 -17.311 1.00 0.00 H new ATOM 0 HA TRP A 683 -9.222 -12.760 -19.717 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.927 -12.880 -17.219 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.584 -14.155 -18.371 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -10.097 -14.086 -15.057 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.852 -14.921 -14.135 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -7.242 -13.593 -19.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -5.244 -15.250 -15.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.858 -14.171 -19.171 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.875 -15.014 -17.080 1.00 0.00 H new ATOM 531 N GLN A 684 -11.256 -11.656 -20.740 1.00 0.00 N ATOM 532 CA GLN A 684 -12.417 -11.004 -21.380 1.00 0.00 C ATOM 533 C GLN A 684 -13.087 -11.972 -22.373 1.00 0.00 C ATOM 534 O GLN A 684 -12.667 -13.114 -22.491 1.00 0.00 O ATOM 535 CB GLN A 684 -11.970 -9.668 -22.060 1.00 0.00 C ATOM 536 CG GLN A 684 -13.032 -8.526 -22.005 1.00 0.00 C ATOM 537 CD GLN A 684 -12.475 -7.225 -21.438 1.00 0.00 C ATOM 538 OE1 GLN A 684 -12.018 -6.351 -22.162 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.444 -7.135 -20.125 1.00 0.00 N ATOM 0 H GLN A 684 -10.705 -12.234 -21.375 1.00 0.00 H new ATOM 0 HA GLN A 684 -13.161 -10.752 -20.625 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -11.055 -9.319 -21.580 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.726 -9.870 -23.103 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -13.415 -8.344 -23.009 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.876 -8.850 -21.396 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -12.835 -7.884 -19.553 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -12.029 -6.317 -19.680 1.00 0.00 H new ATOM 548 N HIS A 685 -14.156 -11.512 -23.064 1.00 0.00 N ATOM 549 CA HIS A 685 -14.859 -12.318 -24.097 1.00 0.00 C ATOM 550 C HIS A 685 -14.644 -11.729 -25.490 1.00 0.00 C ATOM 551 O HIS A 685 -14.537 -10.505 -25.639 1.00 0.00 O ATOM 552 CB HIS A 685 -16.373 -12.438 -23.799 1.00 0.00 C ATOM 553 CG HIS A 685 -16.686 -13.263 -22.577 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.373 -12.724 -21.532 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.321 -14.529 -22.265 1.00 0.00 C ATOM 556 CE1 HIS A 685 -17.397 -13.656 -20.597 1.00 0.00 C ATOM 557 NE2 HIS A 685 -16.774 -14.768 -20.999 1.00 0.00 N ATOM 0 H HIS A 685 -14.554 -10.583 -22.926 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.429 -13.319 -24.068 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.789 -11.439 -23.668 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.870 -12.880 -24.662 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -15.777 -15.217 -22.895 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -17.861 -13.535 -19.629 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -16.659 -15.629 -20.464 1.00 0.00 H new ATOM 565 N ALA A 686 -14.608 -12.622 -26.494 1.00 0.00 N ATOM 566 CA ALA A 686 -14.431 -12.271 -27.903 1.00 0.00 C ATOM 567 C ALA A 686 -15.526 -11.290 -28.382 1.00 0.00 C ATOM 568 O ALA A 686 -15.229 -10.158 -28.765 1.00 0.00 O ATOM 569 CB ALA A 686 -14.417 -13.556 -28.746 1.00 0.00 C ATOM 0 H ALA A 686 -14.703 -13.626 -26.340 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.477 -11.757 -28.025 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -14.285 -13.300 -29.797 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -13.595 -14.195 -28.422 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -15.361 -14.086 -28.617 1.00 0.00 H new ATOM 575 N LYS A 687 -16.797 -11.718 -28.295 1.00 0.00 N ATOM 576 CA LYS A 687 -17.954 -10.897 -28.726 1.00 0.00 C ATOM 577 C LYS A 687 -18.097 -9.616 -27.870 1.00 0.00 C ATOM 578 O LYS A 687 -18.667 -8.623 -28.330 1.00 0.00 O ATOM 579 CB LYS A 687 -19.273 -11.739 -28.711 1.00 0.00 C ATOM 580 CG LYS A 687 -19.517 -12.625 -29.966 1.00 0.00 C ATOM 581 CD LYS A 687 -18.433 -13.701 -30.199 1.00 0.00 C ATOM 582 CE LYS A 687 -18.771 -14.640 -31.368 1.00 0.00 C ATOM 583 NZ LYS A 687 -18.985 -13.913 -32.641 1.00 0.00 N ATOM 0 H LYS A 687 -17.056 -12.634 -27.928 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.768 -10.580 -29.752 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -19.263 -12.382 -27.831 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -20.117 -11.058 -28.599 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -20.486 -13.115 -29.868 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.572 -11.983 -30.845 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.478 -13.213 -30.395 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -18.309 -14.289 -29.290 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -17.962 -15.359 -31.497 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -19.668 -15.209 -31.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -19.143 -14.596 -33.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -19.816 -13.294 -32.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -18.146 -13.337 -32.857 1.00 0.00 H new ATOM 597 N CYS A 688 -17.546 -9.636 -26.635 1.00 0.00 N ATOM 598 CA CYS A 688 -17.569 -8.464 -25.730 1.00 0.00 C ATOM 599 C CYS A 688 -16.627 -7.346 -26.221 1.00 0.00 C ATOM 600 O CYS A 688 -16.877 -6.163 -25.979 1.00 0.00 O ATOM 601 CB CYS A 688 -17.205 -8.852 -24.280 1.00 0.00 C ATOM 602 SG CYS A 688 -18.465 -9.862 -23.435 1.00 0.00 S ATOM 0 H CYS A 688 -17.079 -10.453 -26.242 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.592 -8.087 -25.741 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.263 -9.400 -24.289 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -17.039 -7.942 -23.703 1.00 0.00 H new ATOM 0 HG CYS A 688 -18.646 -10.969 -24.092 1.00 0.00 H new ATOM 607 N VAL A 689 -15.528 -7.738 -26.908 1.00 0.00 N ATOM 608 CA VAL A 689 -14.510 -6.792 -27.426 1.00 0.00 C ATOM 609 C VAL A 689 -14.641 -6.613 -28.963 1.00 0.00 C ATOM 610 O VAL A 689 -13.770 -6.001 -29.596 1.00 0.00 O ATOM 611 CB VAL A 689 -13.046 -7.264 -27.039 1.00 0.00 C ATOM 612 CG1 VAL A 689 -12.936 -7.521 -25.519 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.581 -8.511 -27.840 1.00 0.00 C ATOM 0 H VAL A 689 -15.322 -8.715 -27.118 1.00 0.00 H new ATOM 0 HA VAL A 689 -14.690 -5.824 -26.958 1.00 0.00 H new ATOM 0 HB VAL A 689 -12.375 -6.449 -27.311 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -11.923 -7.844 -25.277 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -13.164 -6.603 -24.977 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -13.643 -8.298 -25.229 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.572 -8.786 -27.531 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.259 -9.342 -27.646 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.584 -8.281 -28.905 1.00 0.00 H new ATOM 623 N ASN A 690 -15.767 -7.119 -29.522 1.00 0.00 N ATOM 624 CA ASN A 690 -16.022 -7.207 -30.983 1.00 0.00 C ATOM 625 C ASN A 690 -14.947 -8.089 -31.665 1.00 0.00 C ATOM 626 O ASN A 690 -13.942 -7.586 -32.195 1.00 0.00 O ATOM 627 CB ASN A 690 -16.141 -5.802 -31.655 1.00 0.00 C ATOM 628 CG ASN A 690 -16.474 -5.840 -33.162 1.00 0.00 C ATOM 629 OD1 ASN A 690 -15.993 -5.010 -33.937 1.00 0.00 O ATOM 630 ND2 ASN A 690 -17.320 -6.778 -33.590 1.00 0.00 N ATOM 0 H ASN A 690 -16.537 -7.484 -28.962 1.00 0.00 H new ATOM 0 HA ASN A 690 -16.992 -7.685 -31.122 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -16.913 -5.231 -31.139 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -15.202 -5.266 -31.517 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -17.581 -6.818 -34.575 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -17.706 -7.455 -32.932 1.00 0.00 H new ATOM 637 N TYR A 691 -15.169 -9.413 -31.601 1.00 0.00 N ATOM 638 CA TYR A 691 -14.184 -10.436 -32.016 1.00 0.00 C ATOM 639 C TYR A 691 -14.898 -11.816 -32.043 1.00 0.00 C ATOM 640 O TYR A 691 -16.061 -11.916 -31.628 1.00 0.00 O ATOM 641 CB TYR A 691 -12.999 -10.406 -30.991 1.00 0.00 C ATOM 642 CG TYR A 691 -11.673 -11.053 -31.406 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.797 -10.408 -32.280 1.00 0.00 C ATOM 644 CD2 TYR A 691 -11.259 -12.268 -30.864 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.569 -10.951 -32.594 1.00 0.00 C ATOM 646 CE2 TYR A 691 -10.035 -12.819 -31.185 1.00 0.00 C ATOM 647 CZ TYR A 691 -9.190 -12.156 -32.046 1.00 0.00 C ATOM 648 OH TYR A 691 -7.956 -12.685 -32.357 1.00 0.00 O ATOM 0 H TYR A 691 -16.043 -9.810 -31.257 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.784 -10.243 -33.011 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.799 -9.364 -30.742 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -13.336 -10.893 -30.076 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -11.087 -9.465 -32.719 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -11.910 -12.790 -30.178 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -8.905 -10.432 -33.269 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -9.741 -13.768 -30.762 1.00 0.00 H new ATOM 0 HH TYR A 691 -8.073 -13.487 -32.908 1.00 0.00 H new ATOM 658 N ASP A 692 -14.222 -12.874 -32.514 1.00 0.00 N ATOM 659 CA ASP A 692 -14.774 -14.257 -32.518 1.00 0.00 C ATOM 660 C ASP A 692 -13.686 -15.277 -32.146 1.00 0.00 C ATOM 661 O ASP A 692 -12.494 -14.949 -32.146 1.00 0.00 O ATOM 662 CB ASP A 692 -15.412 -14.599 -33.894 1.00 0.00 C ATOM 663 CG ASP A 692 -14.442 -14.413 -35.079 1.00 0.00 C ATOM 664 OD1 ASP A 692 -13.571 -15.275 -35.295 1.00 0.00 O ATOM 665 OD2 ASP A 692 -14.519 -13.379 -35.774 1.00 0.00 O ATOM 0 H ASP A 692 -13.282 -12.807 -32.903 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.560 -14.310 -31.765 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -15.762 -15.631 -33.878 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -16.288 -13.968 -34.048 1.00 0.00 H new ATOM 670 N GLU A 693 -14.106 -16.529 -31.850 1.00 0.00 N ATOM 671 CA GLU A 693 -13.178 -17.611 -31.453 1.00 0.00 C ATOM 672 C GLU A 693 -12.435 -18.201 -32.670 1.00 0.00 C ATOM 673 O GLU A 693 -11.330 -18.729 -32.524 1.00 0.00 O ATOM 674 CB GLU A 693 -13.909 -18.717 -30.623 1.00 0.00 C ATOM 675 CG GLU A 693 -14.989 -19.551 -31.363 1.00 0.00 C ATOM 676 CD GLU A 693 -14.457 -20.846 -32.007 1.00 0.00 C ATOM 677 OE1 GLU A 693 -14.021 -21.749 -31.263 1.00 0.00 O ATOM 678 OE2 GLU A 693 -14.463 -20.959 -33.251 1.00 0.00 O ATOM 0 H GLU A 693 -15.085 -16.814 -31.879 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.422 -17.169 -30.804 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.156 -19.404 -30.236 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.379 -18.241 -29.762 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -15.780 -19.808 -30.658 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -15.441 -18.932 -32.138 1.00 0.00 H new ATOM 685 N LYS A 694 -13.018 -18.045 -33.875 1.00 0.00 N ATOM 686 CA LYS A 694 -12.448 -18.607 -35.120 1.00 0.00 C ATOM 687 C LYS A 694 -11.041 -18.023 -35.377 1.00 0.00 C ATOM 688 O LYS A 694 -10.100 -18.761 -35.679 1.00 0.00 O ATOM 689 CB LYS A 694 -13.364 -18.349 -36.360 1.00 0.00 C ATOM 690 CG LYS A 694 -14.755 -19.036 -36.329 1.00 0.00 C ATOM 691 CD LYS A 694 -15.760 -18.391 -35.340 1.00 0.00 C ATOM 692 CE LYS A 694 -17.111 -19.125 -35.294 1.00 0.00 C ATOM 693 NZ LYS A 694 -16.971 -20.538 -34.856 1.00 0.00 N ATOM 0 H LYS A 694 -13.888 -17.532 -34.015 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.377 -19.686 -34.981 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.513 -17.274 -36.460 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.836 -18.682 -37.253 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -15.182 -19.012 -37.331 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.624 -20.085 -36.064 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -15.323 -18.381 -34.341 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.926 -17.352 -35.625 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.783 -18.601 -34.614 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -17.571 -19.097 -36.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -17.792 -20.805 -34.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -16.921 -21.157 -35.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -16.102 -20.643 -34.295 1.00 0.00 H new ATOM 707 N ASN A 695 -10.911 -16.695 -35.204 1.00 0.00 N ATOM 708 CA ASN A 695 -9.628 -15.979 -35.376 1.00 0.00 C ATOM 709 C ASN A 695 -8.911 -15.765 -34.026 1.00 0.00 C ATOM 710 O ASN A 695 -7.882 -15.126 -33.965 1.00 0.00 O ATOM 711 CB ASN A 695 -9.842 -14.632 -36.142 1.00 0.00 C ATOM 712 CG ASN A 695 -10.384 -13.440 -35.329 1.00 0.00 C ATOM 713 OD1 ASN A 695 -10.104 -12.286 -35.653 1.00 0.00 O ATOM 714 ND2 ASN A 695 -11.152 -13.674 -34.279 1.00 0.00 N ATOM 0 H ASN A 695 -11.687 -16.088 -34.942 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.974 -16.604 -35.984 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.889 -14.337 -36.580 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -10.528 -14.818 -36.968 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -11.517 -12.895 -33.731 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -11.379 -14.633 -34.017 1.00 0.00 H new ATOM 721 N LEU A 696 -9.474 -16.324 -32.945 1.00 0.00 N ATOM 722 CA LEU A 696 -8.841 -16.342 -31.606 1.00 0.00 C ATOM 723 C LEU A 696 -7.720 -17.399 -31.609 1.00 0.00 C ATOM 724 O LEU A 696 -6.619 -17.162 -31.116 1.00 0.00 O ATOM 725 CB LEU A 696 -9.946 -16.637 -30.553 1.00 0.00 C ATOM 726 CG LEU A 696 -9.635 -16.521 -29.020 1.00 0.00 C ATOM 727 CD1 LEU A 696 -10.951 -16.374 -28.224 1.00 0.00 C ATOM 728 CD2 LEU A 696 -8.835 -17.730 -28.476 1.00 0.00 C ATOM 0 H LEU A 696 -10.386 -16.780 -32.969 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.386 -15.385 -31.353 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.779 -15.966 -30.764 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.300 -17.652 -30.734 1.00 0.00 H new ATOM 0 HG LEU A 696 -9.013 -15.635 -28.891 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -10.726 -16.294 -27.160 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -11.476 -15.477 -28.552 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -11.580 -17.247 -28.397 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -8.649 -17.594 -27.411 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -9.408 -18.644 -28.631 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -7.884 -17.804 -29.003 1.00 0.00 H new ATOM 740 N LYS A 697 -8.022 -18.555 -32.225 1.00 0.00 N ATOM 741 CA LYS A 697 -7.067 -19.685 -32.396 1.00 0.00 C ATOM 742 C LYS A 697 -6.014 -19.408 -33.509 1.00 0.00 C ATOM 743 O LYS A 697 -5.192 -20.278 -33.812 1.00 0.00 O ATOM 744 CB LYS A 697 -7.867 -21.013 -32.679 1.00 0.00 C ATOM 745 CG LYS A 697 -8.136 -21.919 -31.447 1.00 0.00 C ATOM 746 CD LYS A 697 -9.019 -21.248 -30.367 1.00 0.00 C ATOM 747 CE LYS A 697 -10.475 -21.072 -30.822 1.00 0.00 C ATOM 748 NZ LYS A 697 -11.204 -22.355 -30.992 1.00 0.00 N ATOM 0 H LYS A 697 -8.942 -18.742 -32.625 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.505 -19.797 -31.469 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.825 -20.749 -33.127 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -7.318 -21.594 -33.420 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.619 -22.838 -31.780 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.183 -22.204 -31.000 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -8.996 -21.850 -29.459 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -8.601 -20.274 -30.114 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -11.003 -20.458 -30.093 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -10.489 -20.528 -31.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.223 -22.166 -31.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -10.864 -22.837 -31.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.036 -22.962 -30.164 1.00 0.00 H new ATOM 762 N ILE A 698 -6.042 -18.198 -34.108 1.00 0.00 N ATOM 763 CA ILE A 698 -5.098 -17.792 -35.181 1.00 0.00 C ATOM 764 C ILE A 698 -4.327 -16.539 -34.745 1.00 0.00 C ATOM 765 O ILE A 698 -3.104 -16.521 -34.641 1.00 0.00 O ATOM 766 CB ILE A 698 -5.864 -17.440 -36.523 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.918 -18.529 -36.872 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.874 -17.203 -37.697 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.787 -18.207 -38.076 1.00 0.00 C ATOM 0 H ILE A 698 -6.717 -17.473 -33.864 1.00 0.00 H new ATOM 0 HA ILE A 698 -4.423 -18.630 -35.356 1.00 0.00 H new ATOM 0 HB ILE A 698 -6.401 -16.506 -36.361 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -6.401 -19.471 -37.056 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -7.562 -18.683 -36.006 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.433 -16.964 -38.602 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -4.210 -16.374 -37.451 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.284 -18.104 -37.863 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.492 -19.021 -38.244 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -8.337 -17.284 -37.892 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -7.157 -18.084 -38.957 1.00 0.00 H new ATOM 781 N LYS A 699 -5.105 -15.485 -34.532 1.00 0.00 N ATOM 782 CA LYS A 699 -4.635 -14.109 -34.334 1.00 0.00 C ATOM 783 C LYS A 699 -4.498 -13.735 -32.832 1.00 0.00 C ATOM 784 O LYS A 699 -5.272 -14.225 -32.001 1.00 0.00 O ATOM 785 CB LYS A 699 -5.643 -13.191 -35.075 1.00 0.00 C ATOM 786 CG LYS A 699 -5.462 -13.188 -36.611 1.00 0.00 C ATOM 787 CD LYS A 699 -6.738 -12.775 -37.365 1.00 0.00 C ATOM 788 CE LYS A 699 -7.210 -11.368 -36.983 1.00 0.00 C ATOM 789 NZ LYS A 699 -8.436 -10.962 -37.708 1.00 0.00 N ATOM 0 H LYS A 699 -6.121 -15.563 -34.490 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.630 -13.989 -34.738 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.657 -13.512 -34.837 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -5.536 -12.172 -34.703 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.654 -12.506 -36.875 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.159 -14.183 -36.938 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.552 -12.814 -38.438 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.531 -13.492 -37.152 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.398 -11.331 -35.910 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -6.415 -10.653 -37.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.464 -9.926 -37.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -8.433 -11.384 -38.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -9.273 -11.291 -37.186 1.00 0.00 H new ATOM 803 N PRO A 700 -3.493 -12.856 -32.474 1.00 0.00 N ATOM 804 CA PRO A 700 -3.286 -12.350 -31.080 1.00 0.00 C ATOM 805 C PRO A 700 -4.482 -11.517 -30.557 1.00 0.00 C ATOM 806 O PRO A 700 -4.828 -10.480 -31.120 1.00 0.00 O ATOM 807 CB PRO A 700 -1.997 -11.488 -31.209 1.00 0.00 C ATOM 808 CG PRO A 700 -1.950 -11.107 -32.657 1.00 0.00 C ATOM 809 CD PRO A 700 -2.456 -12.308 -33.398 1.00 0.00 C ATOM 0 HA PRO A 700 -3.198 -13.159 -30.355 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.041 -10.608 -30.567 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -1.111 -12.051 -30.917 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -2.571 -10.233 -32.854 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -0.935 -10.854 -32.964 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -2.879 -12.037 -34.365 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.662 -13.030 -33.588 1.00 0.00 H new ATOM 817 N PHE A 701 -5.076 -11.978 -29.455 1.00 0.00 N ATOM 818 CA PHE A 701 -6.329 -11.435 -28.902 1.00 0.00 C ATOM 819 C PHE A 701 -6.049 -10.578 -27.655 1.00 0.00 C ATOM 820 O PHE A 701 -5.369 -11.027 -26.718 1.00 0.00 O ATOM 821 CB PHE A 701 -7.308 -12.603 -28.587 1.00 0.00 C ATOM 822 CG PHE A 701 -6.664 -13.853 -27.966 1.00 0.00 C ATOM 823 CD1 PHE A 701 -6.138 -14.863 -28.775 1.00 0.00 C ATOM 824 CD2 PHE A 701 -6.585 -14.013 -26.588 1.00 0.00 C ATOM 825 CE1 PHE A 701 -5.557 -15.986 -28.223 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.999 -15.139 -26.038 1.00 0.00 C ATOM 827 CZ PHE A 701 -5.484 -16.122 -26.855 1.00 0.00 C ATOM 0 H PHE A 701 -4.698 -12.752 -28.909 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.796 -10.784 -29.641 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -8.078 -12.236 -27.908 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.809 -12.894 -29.510 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -6.187 -14.763 -29.849 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.986 -13.249 -25.938 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -5.159 -16.759 -28.864 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.945 -15.248 -24.965 1.00 0.00 H new ATOM 0 HZ PHE A 701 -5.024 -16.998 -26.423 1.00 0.00 H new ATOM 837 N TYR A 702 -6.575 -9.333 -27.646 1.00 0.00 N ATOM 838 CA TYR A 702 -6.356 -8.369 -26.550 1.00 0.00 C ATOM 839 C TYR A 702 -7.659 -7.630 -26.185 1.00 0.00 C ATOM 840 O TYR A 702 -8.622 -7.595 -26.954 1.00 0.00 O ATOM 841 CB TYR A 702 -5.236 -7.343 -26.917 1.00 0.00 C ATOM 842 CG TYR A 702 -3.872 -7.995 -27.217 1.00 0.00 C ATOM 843 CD1 TYR A 702 -3.089 -8.535 -26.192 1.00 0.00 C ATOM 844 CD2 TYR A 702 -3.393 -8.101 -28.521 1.00 0.00 C ATOM 845 CE1 TYR A 702 -1.892 -9.156 -26.467 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.193 -8.717 -28.794 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.446 -9.243 -27.769 1.00 0.00 C ATOM 848 OH TYR A 702 -0.251 -9.866 -28.039 1.00 0.00 O ATOM 0 H TYR A 702 -7.162 -8.971 -28.398 1.00 0.00 H new ATOM 0 HA TYR A 702 -6.030 -8.937 -25.679 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -5.553 -6.768 -27.787 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -5.118 -6.637 -26.095 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -3.429 -8.464 -25.169 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -3.975 -7.692 -29.334 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -1.303 -9.575 -25.664 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -1.840 -8.787 -29.812 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.081 -9.844 -29.004 1.00 0.00 H new ATOM 858 N CYS A 703 -7.659 -7.061 -24.969 1.00 0.00 N ATOM 859 CA CYS A 703 -8.763 -6.232 -24.438 1.00 0.00 C ATOM 860 C CYS A 703 -8.712 -4.802 -25.047 1.00 0.00 C ATOM 861 O CYS A 703 -7.617 -4.351 -25.432 1.00 0.00 O ATOM 862 CB CYS A 703 -8.646 -6.162 -22.892 1.00 0.00 C ATOM 863 SG CYS A 703 -7.312 -5.074 -22.287 1.00 0.00 S ATOM 0 H CYS A 703 -6.883 -7.163 -24.315 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.717 -6.683 -24.712 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.595 -5.815 -22.483 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -8.481 -7.168 -22.506 1.00 0.00 H new ATOM 0 HG CYS A 703 -6.529 -5.746 -21.496 1.00 0.00 H new ATOM 868 N PRO A 704 -9.879 -4.052 -25.106 1.00 0.00 N ATOM 869 CA PRO A 704 -9.949 -2.676 -25.686 1.00 0.00 C ATOM 870 C PRO A 704 -8.971 -1.687 -25.014 1.00 0.00 C ATOM 871 O PRO A 704 -8.435 -0.797 -25.672 1.00 0.00 O ATOM 872 CB PRO A 704 -11.436 -2.256 -25.445 1.00 0.00 C ATOM 873 CG PRO A 704 -11.915 -3.174 -24.362 1.00 0.00 C ATOM 874 CD PRO A 704 -11.226 -4.477 -24.639 1.00 0.00 C ATOM 0 HA PRO A 704 -9.658 -2.663 -26.736 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.509 -1.212 -25.141 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.031 -2.367 -26.351 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -11.657 -2.791 -23.375 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -12.999 -3.285 -24.387 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -11.166 -5.099 -23.746 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.751 -5.058 -25.397 1.00 0.00 H new ATOM 882 N HIS A 705 -8.720 -1.899 -23.707 1.00 0.00 N ATOM 883 CA HIS A 705 -7.851 -1.023 -22.887 1.00 0.00 C ATOM 884 C HIS A 705 -6.397 -1.002 -23.391 1.00 0.00 C ATOM 885 O HIS A 705 -5.744 0.033 -23.323 1.00 0.00 O ATOM 886 CB HIS A 705 -7.894 -1.442 -21.400 1.00 0.00 C ATOM 887 CG HIS A 705 -9.205 -1.156 -20.720 1.00 0.00 C ATOM 888 ND1 HIS A 705 -9.368 -0.138 -19.803 1.00 0.00 N ATOM 889 CD2 HIS A 705 -10.413 -1.750 -20.835 1.00 0.00 C ATOM 890 CE1 HIS A 705 -10.615 -0.126 -19.383 1.00 0.00 C ATOM 891 NE2 HIS A 705 -11.269 -1.093 -19.992 1.00 0.00 N ATOM 0 H HIS A 705 -9.113 -2.683 -23.187 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.245 -0.011 -22.984 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -7.685 -2.509 -21.328 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -7.098 -0.924 -20.864 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -10.658 -2.587 -21.473 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -11.032 0.561 -18.661 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -12.255 -1.317 -19.857 1.00 0.00 H new ATOM 900 N CYS A 706 -5.901 -2.149 -23.898 1.00 0.00 N ATOM 901 CA CYS A 706 -4.530 -2.238 -24.463 1.00 0.00 C ATOM 902 C CYS A 706 -4.452 -1.543 -25.831 1.00 0.00 C ATOM 903 O CYS A 706 -3.406 -0.998 -26.192 1.00 0.00 O ATOM 904 CB CYS A 706 -4.044 -3.700 -24.564 1.00 0.00 C ATOM 905 SG CYS A 706 -3.615 -4.432 -22.955 1.00 0.00 S ATOM 0 H CYS A 706 -6.423 -3.025 -23.930 1.00 0.00 H new ATOM 0 HA CYS A 706 -3.863 -1.718 -23.775 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -4.822 -4.302 -25.033 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.172 -3.741 -25.217 1.00 0.00 H new ATOM 0 HG CYS A 706 -3.998 -5.674 -22.927 1.00 0.00 H new ATOM 910 N LEU A 707 -5.574 -1.545 -26.574 1.00 0.00 N ATOM 911 CA LEU A 707 -5.664 -0.870 -27.888 1.00 0.00 C ATOM 912 C LEU A 707 -5.637 0.666 -27.697 1.00 0.00 C ATOM 913 O LEU A 707 -5.125 1.406 -28.547 1.00 0.00 O ATOM 914 CB LEU A 707 -6.948 -1.323 -28.640 1.00 0.00 C ATOM 915 CG LEU A 707 -7.165 -2.874 -28.764 1.00 0.00 C ATOM 916 CD1 LEU A 707 -8.457 -3.205 -29.547 1.00 0.00 C ATOM 917 CD2 LEU A 707 -5.938 -3.578 -29.390 1.00 0.00 C ATOM 0 H LEU A 707 -6.436 -2.008 -26.287 1.00 0.00 H new ATOM 0 HA LEU A 707 -4.804 -1.152 -28.495 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -7.812 -0.895 -28.132 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -6.926 -0.898 -29.644 1.00 0.00 H new ATOM 0 HG LEU A 707 -7.282 -3.261 -27.752 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -8.575 -4.287 -29.613 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -9.316 -2.777 -29.030 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -8.392 -2.785 -30.551 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -6.129 -4.649 -29.458 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -5.758 -3.177 -30.388 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -5.061 -3.404 -28.766 1.00 0.00 H new ATOM 929 N VAL A 708 -6.182 1.123 -26.547 1.00 0.00 N ATOM 930 CA VAL A 708 -6.144 2.541 -26.130 1.00 0.00 C ATOM 931 C VAL A 708 -4.770 2.880 -25.502 1.00 0.00 C ATOM 932 O VAL A 708 -4.266 3.996 -25.648 1.00 0.00 O ATOM 933 CB VAL A 708 -7.296 2.878 -25.103 1.00 0.00 C ATOM 934 CG1 VAL A 708 -7.321 4.388 -24.747 1.00 0.00 C ATOM 935 CG2 VAL A 708 -8.675 2.419 -25.635 1.00 0.00 C ATOM 0 H VAL A 708 -6.661 0.517 -25.881 1.00 0.00 H new ATOM 0 HA VAL A 708 -6.297 3.148 -27.022 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.083 2.324 -24.189 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -8.126 4.581 -24.038 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -6.368 4.672 -24.300 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -7.486 4.973 -25.652 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -9.447 2.665 -24.906 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -8.890 2.927 -26.575 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -8.661 1.342 -25.799 1.00 0.00 H new ATOM 945 N ALA A 709 -4.171 1.894 -24.811 1.00 0.00 N ATOM 946 CA ALA A 709 -2.856 2.051 -24.147 1.00 0.00 C ATOM 947 C ALA A 709 -1.732 2.284 -25.170 1.00 0.00 C ATOM 948 O ALA A 709 -0.733 2.952 -24.870 1.00 0.00 O ATOM 949 CB ALA A 709 -2.536 0.824 -23.280 1.00 0.00 C ATOM 0 H ALA A 709 -4.580 0.967 -24.695 1.00 0.00 H new ATOM 0 HA ALA A 709 -2.916 2.930 -23.506 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -1.566 0.960 -22.801 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -3.305 0.708 -22.516 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -2.510 -0.067 -23.907 1.00 0.00 H new ATOM 955 N MET A 710 -1.902 1.708 -26.369 1.00 0.00 N ATOM 956 CA MET A 710 -0.954 1.863 -27.481 1.00 0.00 C ATOM 957 C MET A 710 -1.292 3.114 -28.315 1.00 0.00 C ATOM 958 O MET A 710 -0.400 3.923 -28.599 1.00 0.00 O ATOM 959 CB MET A 710 -0.962 0.585 -28.363 1.00 0.00 C ATOM 960 CG MET A 710 -0.466 -0.685 -27.643 1.00 0.00 C ATOM 961 SD MET A 710 -0.494 -2.163 -28.689 1.00 0.00 S ATOM 962 CE MET A 710 -2.245 -2.346 -29.031 1.00 0.00 C ATOM 0 H MET A 710 -2.704 1.120 -26.595 1.00 0.00 H new ATOM 0 HA MET A 710 0.048 1.998 -27.075 1.00 0.00 H new ATOM 0 HB2 MET A 710 -1.976 0.412 -28.723 1.00 0.00 H new ATOM 0 HB3 MET A 710 -0.338 0.759 -29.240 1.00 0.00 H new ATOM 0 HG2 MET A 710 0.551 -0.519 -27.289 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.085 -0.860 -26.763 1.00 0.00 H new ATOM 0 HE1 MET A 710 -2.408 -3.248 -29.621 1.00 0.00 H new ATOM 0 HE2 MET A 710 -2.793 -2.422 -28.092 1.00 0.00 H new ATOM 0 HE3 MET A 710 -2.599 -1.479 -29.588 1.00 0.00 H new