USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=14 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 691 TYR OH : rot 59:sc= 0.404 USER MOD Set 1.2: A 695 ASN : amide:sc= -0.492 X(o=-0.088,f=0.18) USER MOD Set 2.1: A 677 CYS SG : rot -55:sc= 1.07 USER MOD Set 2.2: A 680 CYS SG : rot -65:sc= -2.45! USER MOD Set 2.3: A 703 CYS SG : rot -128:sc= 0.132 USER MOD Set 2.4: A 706 CYS SG : rot 146:sc= 0.286 USER MOD Set 3.1: A 661 CYS SG : rot 14:sc= 0.959 USER MOD Set 3.2: A 663 CYS SG : rot 154:sc= 0.0497 USER MOD Set 3.3: A 684 GLN : amide:sc= -0.896 K(o=-5.8,f=-11!) USER MOD Set 3.4: A 685 HIS : no HD1:sc= -4.41! K(o=-5.8!,f=-4.2) USER MOD Set 3.5: A 688 CYS SG : rot 167:sc= -1.48 USER MOD Single : A 668 GLN : amide:sc= -2.14! C(o=-2.1!,f=-4.8!) USER MOD Single : A 672 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 GLN : amide:sc= -1.99 K(o=-2,f=-7.4!) USER MOD Single : A 679 LYS NZ :NH3+ -168:sc= -0.0135 (180deg=-0.18) USER MOD Single : A 681 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 687 LYS NZ :NH3+ 157:sc= 0.268 (180deg=0.107) USER MOD Single : A 690 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 694 LYS NZ :NH3+ 135:sc= 0.554 (180deg=0.054) USER MOD Single : A 697 LYS NZ :NH3+ 165:sc= -0.0134 (180deg=-0.18) USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.00095) USER MOD Single : A 710 MET CE :methyl 179:sc= -1.13 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 93 N ARG A 658 -8.025 -6.647 -11.296 1.00 0.00 N ATOM 94 CA ARG A 658 -9.314 -7.333 -11.446 1.00 0.00 C ATOM 95 C ARG A 658 -9.384 -7.944 -12.854 1.00 0.00 C ATOM 96 O ARG A 658 -9.928 -7.323 -13.777 1.00 0.00 O ATOM 97 CB ARG A 658 -10.495 -6.352 -11.189 1.00 0.00 C ATOM 98 CG ARG A 658 -10.367 -5.554 -9.882 1.00 0.00 C ATOM 99 CD ARG A 658 -10.336 -6.441 -8.627 1.00 0.00 C ATOM 100 NE ARG A 658 -11.560 -7.235 -8.442 1.00 0.00 N ATOM 101 CZ ARG A 658 -11.916 -7.849 -7.302 1.00 0.00 C ATOM 102 NH1 ARG A 658 -11.165 -7.756 -6.207 1.00 0.00 N ATOM 103 NH2 ARG A 658 -13.031 -8.558 -7.266 1.00 0.00 N ATOM 0 HA ARG A 658 -9.398 -8.130 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG A 658 -10.564 -5.655 -12.024 1.00 0.00 H new ATOM 0 HB3 ARG A 658 -11.427 -6.918 -11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 658 -9.457 -4.956 -9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 658 -11.203 -4.858 -9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 658 -9.481 -7.114 -8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 658 -10.184 -5.812 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 658 -12.187 -7.326 -9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 658 -10.303 -7.211 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 658 -11.452 -8.229 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 658 -13.613 -8.635 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 658 -13.309 -9.028 -6.404 1.00 0.00 H new ATOM 117 N PHE A 659 -8.745 -9.123 -13.034 1.00 0.00 N ATOM 118 CA PHE A 659 -8.760 -9.844 -14.317 1.00 0.00 C ATOM 119 C PHE A 659 -10.121 -10.529 -14.522 1.00 0.00 C ATOM 120 O PHE A 659 -10.300 -11.727 -14.312 1.00 0.00 O ATOM 121 CB PHE A 659 -7.535 -10.807 -14.479 1.00 0.00 C ATOM 122 CG PHE A 659 -7.038 -11.539 -13.219 1.00 0.00 C ATOM 123 CD1 PHE A 659 -7.792 -12.541 -12.611 1.00 0.00 C ATOM 124 CD2 PHE A 659 -5.793 -11.232 -12.665 1.00 0.00 C ATOM 125 CE1 PHE A 659 -7.321 -13.213 -11.499 1.00 0.00 C ATOM 126 CE2 PHE A 659 -5.325 -11.903 -11.551 1.00 0.00 C ATOM 127 CZ PHE A 659 -6.086 -12.891 -10.968 1.00 0.00 C ATOM 0 H PHE A 659 -8.213 -9.592 -12.301 1.00 0.00 H new ATOM 0 HA PHE A 659 -8.642 -9.120 -15.123 1.00 0.00 H new ATOM 0 HB2 PHE A 659 -7.794 -11.558 -15.225 1.00 0.00 H new ATOM 0 HB3 PHE A 659 -6.704 -10.229 -14.883 1.00 0.00 H new ATOM 0 HD1 PHE A 659 -8.760 -12.797 -13.015 1.00 0.00 H new ATOM 0 HD2 PHE A 659 -5.187 -10.459 -13.114 1.00 0.00 H new ATOM 0 HE1 PHE A 659 -7.918 -13.990 -11.045 1.00 0.00 H new ATOM 0 HE2 PHE A 659 -4.360 -11.652 -11.137 1.00 0.00 H new ATOM 0 HZ PHE A 659 -5.719 -13.414 -10.097 1.00 0.00 H new ATOM 137 N GLU A 660 -11.100 -9.684 -14.881 1.00 0.00 N ATOM 138 CA GLU A 660 -12.509 -10.048 -15.052 1.00 0.00 C ATOM 139 C GLU A 660 -13.053 -9.340 -16.299 1.00 0.00 C ATOM 140 O GLU A 660 -12.559 -8.270 -16.684 1.00 0.00 O ATOM 141 CB GLU A 660 -13.336 -9.626 -13.800 1.00 0.00 C ATOM 142 CG GLU A 660 -12.908 -10.300 -12.474 1.00 0.00 C ATOM 143 CD GLU A 660 -13.707 -9.804 -11.259 1.00 0.00 C ATOM 144 OE1 GLU A 660 -14.868 -10.236 -11.091 1.00 0.00 O ATOM 145 OE2 GLU A 660 -13.194 -8.964 -10.480 1.00 0.00 O ATOM 0 H GLU A 660 -10.923 -8.697 -15.066 1.00 0.00 H new ATOM 0 HA GLU A 660 -12.593 -11.128 -15.170 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -13.261 -8.545 -13.681 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -14.386 -9.854 -13.983 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -13.031 -11.379 -12.566 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -11.848 -10.113 -12.304 1.00 0.00 H new ATOM 152 N CYS A 661 -14.070 -9.941 -16.930 1.00 0.00 N ATOM 153 CA CYS A 661 -14.726 -9.361 -18.110 1.00 0.00 C ATOM 154 C CYS A 661 -15.796 -8.345 -17.671 1.00 0.00 C ATOM 155 O CYS A 661 -16.414 -8.523 -16.618 1.00 0.00 O ATOM 156 CB CYS A 661 -15.353 -10.467 -18.962 1.00 0.00 C ATOM 157 SG CYS A 661 -16.002 -9.874 -20.555 1.00 0.00 S ATOM 0 H CYS A 661 -14.460 -10.838 -16.639 1.00 0.00 H new ATOM 0 HA CYS A 661 -13.980 -8.843 -18.712 1.00 0.00 H new ATOM 0 HB2 CYS A 661 -14.607 -11.239 -19.147 1.00 0.00 H new ATOM 0 HB3 CYS A 661 -16.162 -10.934 -18.400 1.00 0.00 H new ATOM 0 HG CYS A 661 -15.554 -8.676 -20.787 1.00 0.00 H new ATOM 162 N ILE A 662 -16.023 -7.309 -18.503 1.00 0.00 N ATOM 163 CA ILE A 662 -16.941 -6.184 -18.189 1.00 0.00 C ATOM 164 C ILE A 662 -18.404 -6.637 -17.966 1.00 0.00 C ATOM 165 O ILE A 662 -19.140 -6.000 -17.209 1.00 0.00 O ATOM 166 CB ILE A 662 -16.894 -5.074 -19.310 1.00 0.00 C ATOM 167 CG1 ILE A 662 -17.238 -5.688 -20.718 1.00 0.00 C ATOM 168 CG2 ILE A 662 -15.517 -4.365 -19.315 1.00 0.00 C ATOM 169 CD1 ILE A 662 -17.224 -4.704 -21.877 1.00 0.00 C ATOM 0 H ILE A 662 -15.576 -7.224 -19.416 1.00 0.00 H new ATOM 0 HA ILE A 662 -16.581 -5.765 -17.249 1.00 0.00 H new ATOM 0 HB ILE A 662 -17.652 -4.322 -19.088 1.00 0.00 H new ATOM 0 HG12 ILE A 662 -16.527 -6.486 -20.932 1.00 0.00 H new ATOM 0 HG13 ILE A 662 -18.225 -6.147 -20.664 1.00 0.00 H new ATOM 0 HG21 ILE A 662 -15.503 -3.603 -20.094 1.00 0.00 H new ATOM 0 HG22 ILE A 662 -15.346 -3.896 -18.346 1.00 0.00 H new ATOM 0 HG23 ILE A 662 -14.732 -5.096 -19.508 1.00 0.00 H new ATOM 0 HD11 ILE A 662 -17.473 -5.226 -22.801 1.00 0.00 H new ATOM 0 HD12 ILE A 662 -17.957 -3.918 -21.695 1.00 0.00 H new ATOM 0 HD13 ILE A 662 -16.232 -4.262 -21.967 1.00 0.00 H new ATOM 181 N CYS A 663 -18.824 -7.736 -18.633 1.00 0.00 N ATOM 182 CA CYS A 663 -20.203 -8.285 -18.451 1.00 0.00 C ATOM 183 C CYS A 663 -20.342 -9.034 -17.101 1.00 0.00 C ATOM 184 O CYS A 663 -21.440 -9.105 -16.539 1.00 0.00 O ATOM 185 CB CYS A 663 -20.583 -9.236 -19.595 1.00 0.00 C ATOM 186 SG CYS A 663 -19.599 -10.748 -19.626 1.00 0.00 S ATOM 0 H CYS A 663 -18.246 -8.258 -19.292 1.00 0.00 H new ATOM 0 HA CYS A 663 -20.882 -7.432 -18.456 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -21.637 -9.499 -19.504 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -20.465 -8.715 -20.545 1.00 0.00 H new ATOM 0 HG CYS A 663 -20.282 -11.699 -20.191 1.00 0.00 H new ATOM 191 N GLY A 664 -19.212 -9.573 -16.592 1.00 0.00 N ATOM 192 CA GLY A 664 -19.193 -10.358 -15.345 1.00 0.00 C ATOM 193 C GLY A 664 -19.849 -11.735 -15.501 1.00 0.00 C ATOM 194 O GLY A 664 -20.935 -11.977 -14.961 1.00 0.00 O ATOM 0 H GLY A 664 -18.297 -9.476 -17.032 1.00 0.00 H new ATOM 0 HA2 GLY A 664 -18.161 -10.487 -15.018 1.00 0.00 H new ATOM 0 HA3 GLY A 664 -19.709 -9.801 -14.562 1.00 0.00 H new ATOM 198 N GLU A 665 -19.183 -12.635 -16.249 1.00 0.00 N ATOM 199 CA GLU A 665 -19.701 -13.994 -16.559 1.00 0.00 C ATOM 200 C GLU A 665 -18.595 -15.060 -16.391 1.00 0.00 C ATOM 201 O GLU A 665 -17.494 -14.771 -15.899 1.00 0.00 O ATOM 202 CB GLU A 665 -20.247 -14.069 -18.018 1.00 0.00 C ATOM 203 CG GLU A 665 -21.498 -13.232 -18.324 1.00 0.00 C ATOM 204 CD GLU A 665 -22.016 -13.462 -19.756 1.00 0.00 C ATOM 205 OE1 GLU A 665 -21.514 -12.802 -20.692 1.00 0.00 O ATOM 206 OE2 GLU A 665 -22.892 -14.330 -19.951 1.00 0.00 O ATOM 0 H GLU A 665 -18.268 -12.446 -16.659 1.00 0.00 H new ATOM 0 HA GLU A 665 -20.511 -14.194 -15.858 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -19.453 -13.757 -18.696 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -20.469 -15.111 -18.246 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -22.284 -13.482 -17.611 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -21.268 -12.175 -18.188 1.00 0.00 H new ATOM 213 N LEU A 666 -18.944 -16.301 -16.802 1.00 0.00 N ATOM 214 CA LEU A 666 -18.014 -17.438 -16.939 1.00 0.00 C ATOM 215 C LEU A 666 -16.916 -17.165 -17.999 1.00 0.00 C ATOM 216 O LEU A 666 -17.052 -16.256 -18.827 1.00 0.00 O ATOM 217 CB LEU A 666 -18.826 -18.704 -17.336 1.00 0.00 C ATOM 218 CG LEU A 666 -19.917 -19.155 -16.310 1.00 0.00 C ATOM 219 CD1 LEU A 666 -20.822 -20.260 -16.898 1.00 0.00 C ATOM 220 CD2 LEU A 666 -19.281 -19.612 -14.973 1.00 0.00 C ATOM 0 H LEU A 666 -19.903 -16.542 -17.053 1.00 0.00 H new ATOM 0 HA LEU A 666 -17.512 -17.588 -15.983 1.00 0.00 H new ATOM 0 HB2 LEU A 666 -19.309 -18.518 -18.295 1.00 0.00 H new ATOM 0 HB3 LEU A 666 -18.129 -19.529 -17.485 1.00 0.00 H new ATOM 0 HG LEU A 666 -20.544 -18.288 -16.101 1.00 0.00 H new ATOM 0 HD11 LEU A 666 -21.569 -20.550 -16.159 1.00 0.00 H new ATOM 0 HD12 LEU A 666 -21.322 -19.884 -17.791 1.00 0.00 H new ATOM 0 HD13 LEU A 666 -20.215 -21.127 -17.160 1.00 0.00 H new ATOM 0 HD21 LEU A 666 -20.067 -19.919 -14.282 1.00 0.00 H new ATOM 0 HD22 LEU A 666 -18.611 -20.452 -15.157 1.00 0.00 H new ATOM 0 HD23 LEU A 666 -18.717 -18.787 -14.538 1.00 0.00 H new ATOM 232 N ASP A 667 -15.841 -17.982 -17.989 1.00 0.00 N ATOM 233 CA ASP A 667 -14.695 -17.841 -18.927 1.00 0.00 C ATOM 234 C ASP A 667 -14.589 -19.076 -19.848 1.00 0.00 C ATOM 235 O ASP A 667 -13.529 -19.354 -20.405 1.00 0.00 O ATOM 236 CB ASP A 667 -13.370 -17.627 -18.127 1.00 0.00 C ATOM 237 CG ASP A 667 -12.860 -18.890 -17.386 1.00 0.00 C ATOM 238 OD1 ASP A 667 -13.536 -19.352 -16.444 1.00 0.00 O ATOM 239 OD2 ASP A 667 -11.796 -19.435 -17.759 1.00 0.00 O ATOM 0 H ASP A 667 -15.738 -18.757 -17.334 1.00 0.00 H new ATOM 0 HA ASP A 667 -14.864 -16.967 -19.557 1.00 0.00 H new ATOM 0 HB2 ASP A 667 -12.596 -17.286 -18.814 1.00 0.00 H new ATOM 0 HB3 ASP A 667 -13.524 -16.830 -17.399 1.00 0.00 H new ATOM 244 N GLN A 668 -15.701 -19.809 -20.020 1.00 0.00 N ATOM 245 CA GLN A 668 -15.731 -21.023 -20.861 1.00 0.00 C ATOM 246 C GLN A 668 -16.220 -20.698 -22.290 1.00 0.00 C ATOM 247 O GLN A 668 -17.140 -19.890 -22.474 1.00 0.00 O ATOM 248 CB GLN A 668 -16.612 -22.134 -20.212 1.00 0.00 C ATOM 249 CG GLN A 668 -16.000 -22.809 -18.950 1.00 0.00 C ATOM 250 CD GLN A 668 -15.826 -21.887 -17.731 1.00 0.00 C ATOM 251 OE1 GLN A 668 -16.593 -20.960 -17.514 1.00 0.00 O ATOM 252 NE2 GLN A 668 -14.804 -22.134 -16.934 1.00 0.00 N ATOM 0 H GLN A 668 -16.596 -19.583 -19.587 1.00 0.00 H new ATOM 0 HA GLN A 668 -14.711 -21.402 -20.933 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -17.575 -21.701 -19.942 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -16.807 -22.904 -20.959 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -16.634 -23.648 -18.663 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -15.026 -23.222 -19.215 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -14.177 -22.913 -17.135 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -14.641 -21.546 -16.117 1.00 0.00 H new ATOM 261 N ILE A 669 -15.602 -21.378 -23.284 1.00 0.00 N ATOM 262 CA ILE A 669 -15.895 -21.200 -24.730 1.00 0.00 C ATOM 263 C ILE A 669 -17.308 -21.728 -25.069 1.00 0.00 C ATOM 264 O ILE A 669 -17.976 -21.212 -25.983 1.00 0.00 O ATOM 265 CB ILE A 669 -14.794 -21.923 -25.618 1.00 0.00 C ATOM 266 CG1 ILE A 669 -13.382 -21.282 -25.398 1.00 0.00 C ATOM 267 CG2 ILE A 669 -15.149 -21.927 -27.128 1.00 0.00 C ATOM 268 CD1 ILE A 669 -13.252 -19.838 -25.863 1.00 0.00 C ATOM 0 H ILE A 669 -14.878 -22.074 -23.105 1.00 0.00 H new ATOM 0 HA ILE A 669 -15.867 -20.134 -24.957 1.00 0.00 H new ATOM 0 HB ILE A 669 -14.769 -22.962 -25.288 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -13.139 -21.329 -24.336 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -12.640 -21.885 -25.922 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -14.361 -22.434 -27.686 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -16.094 -22.449 -27.278 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -15.242 -20.900 -27.483 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -12.240 -19.483 -25.669 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -13.458 -19.780 -26.932 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -13.965 -19.216 -25.322 1.00 0.00 H new ATOM 280 N ASP A 670 -17.749 -22.744 -24.298 1.00 0.00 N ATOM 281 CA ASP A 670 -19.101 -23.348 -24.402 1.00 0.00 C ATOM 282 C ASP A 670 -20.208 -22.284 -24.298 1.00 0.00 C ATOM 283 O ASP A 670 -21.232 -22.360 -24.987 1.00 0.00 O ATOM 284 CB ASP A 670 -19.288 -24.409 -23.283 1.00 0.00 C ATOM 285 CG ASP A 670 -20.659 -25.111 -23.316 1.00 0.00 C ATOM 286 OD1 ASP A 670 -20.808 -26.111 -24.046 1.00 0.00 O ATOM 287 OD2 ASP A 670 -21.595 -24.665 -22.616 1.00 0.00 O ATOM 0 H ASP A 670 -17.172 -23.176 -23.576 1.00 0.00 H new ATOM 0 HA ASP A 670 -19.182 -23.821 -25.380 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -18.503 -25.160 -23.372 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -19.160 -23.928 -22.313 1.00 0.00 H new ATOM 292 N ARG A 671 -19.979 -21.302 -23.420 1.00 0.00 N ATOM 293 CA ARG A 671 -20.910 -20.193 -23.200 1.00 0.00 C ATOM 294 C ARG A 671 -20.686 -19.111 -24.270 1.00 0.00 C ATOM 295 O ARG A 671 -21.545 -18.881 -25.130 1.00 0.00 O ATOM 296 CB ARG A 671 -20.711 -19.634 -21.761 1.00 0.00 C ATOM 297 CG ARG A 671 -20.912 -20.687 -20.640 1.00 0.00 C ATOM 298 CD ARG A 671 -22.355 -21.244 -20.602 1.00 0.00 C ATOM 299 NE ARG A 671 -23.351 -20.195 -20.313 1.00 0.00 N ATOM 300 CZ ARG A 671 -24.681 -20.313 -20.486 1.00 0.00 C ATOM 301 NH1 ARG A 671 -25.218 -21.432 -20.966 1.00 0.00 N ATOM 302 NH2 ARG A 671 -25.475 -19.303 -20.156 1.00 0.00 N ATOM 0 H ARG A 671 -19.141 -21.255 -22.841 1.00 0.00 H new ATOM 0 HA ARG A 671 -21.940 -20.539 -23.289 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -19.706 -19.219 -21.679 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -21.409 -18.812 -21.602 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -20.212 -21.509 -20.789 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -20.674 -20.237 -19.676 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -22.588 -21.710 -21.560 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -22.421 -22.024 -19.844 1.00 0.00 H new ATOM 0 HE ARG A 671 -23.003 -19.307 -19.952 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -24.619 -22.221 -21.210 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -26.228 -21.501 -21.089 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -25.077 -18.445 -19.774 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.484 -19.384 -20.284 1.00 0.00 H new ATOM 316 N LYS A 672 -19.506 -18.473 -24.222 1.00 0.00 N ATOM 317 CA LYS A 672 -19.099 -17.418 -25.171 1.00 0.00 C ATOM 318 C LYS A 672 -17.600 -17.600 -25.516 1.00 0.00 C ATOM 319 O LYS A 672 -16.829 -18.005 -24.634 1.00 0.00 O ATOM 320 CB LYS A 672 -19.296 -16.002 -24.538 1.00 0.00 C ATOM 321 CG LYS A 672 -20.738 -15.635 -24.084 1.00 0.00 C ATOM 322 CD LYS A 672 -21.760 -15.527 -25.243 1.00 0.00 C ATOM 323 CE LYS A 672 -21.450 -14.383 -26.223 1.00 0.00 C ATOM 324 NZ LYS A 672 -22.501 -14.239 -27.265 1.00 0.00 N ATOM 0 H LYS A 672 -18.798 -18.676 -23.516 1.00 0.00 H new ATOM 0 HA LYS A 672 -19.714 -17.498 -26.067 1.00 0.00 H new ATOM 0 HB2 LYS A 672 -18.636 -15.920 -23.674 1.00 0.00 H new ATOM 0 HB3 LYS A 672 -18.967 -15.257 -25.262 1.00 0.00 H new ATOM 0 HG2 LYS A 672 -21.086 -16.387 -23.376 1.00 0.00 H new ATOM 0 HG3 LYS A 672 -20.708 -14.685 -23.551 1.00 0.00 H new ATOM 0 HD2 LYS A 672 -21.779 -16.470 -25.790 1.00 0.00 H new ATOM 0 HD3 LYS A 672 -22.757 -15.380 -24.827 1.00 0.00 H new ATOM 0 HE2 LYS A 672 -21.357 -13.448 -25.670 1.00 0.00 H new ATOM 0 HE3 LYS A 672 -20.488 -14.567 -26.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 672 -22.252 -13.457 -27.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 672 -22.573 -15.122 -27.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 672 -23.415 -14.037 -26.811 1.00 0.00 H new ATOM 338 N PRO A 673 -17.147 -17.302 -26.785 1.00 0.00 N ATOM 339 CA PRO A 673 -15.698 -17.174 -27.093 1.00 0.00 C ATOM 340 C PRO A 673 -15.023 -16.121 -26.173 1.00 0.00 C ATOM 341 O PRO A 673 -15.626 -15.073 -25.901 1.00 0.00 O ATOM 342 CB PRO A 673 -15.673 -16.716 -28.576 1.00 0.00 C ATOM 343 CG PRO A 673 -16.993 -17.152 -29.146 1.00 0.00 C ATOM 344 CD PRO A 673 -17.986 -17.086 -27.998 1.00 0.00 C ATOM 0 HA PRO A 673 -15.150 -18.102 -26.930 1.00 0.00 H new ATOM 0 HB2 PRO A 673 -15.549 -15.636 -28.652 1.00 0.00 H new ATOM 0 HB3 PRO A 673 -14.842 -17.171 -29.115 1.00 0.00 H new ATOM 0 HG2 PRO A 673 -17.299 -16.501 -29.965 1.00 0.00 H new ATOM 0 HG3 PRO A 673 -16.929 -18.163 -29.549 1.00 0.00 H new ATOM 0 HD2 PRO A 673 -18.495 -16.123 -27.965 1.00 0.00 H new ATOM 0 HD3 PRO A 673 -18.757 -17.851 -28.092 1.00 0.00 H new ATOM 352 N ARG A 674 -13.781 -16.392 -25.698 1.00 0.00 N ATOM 353 CA ARG A 674 -13.103 -15.518 -24.705 1.00 0.00 C ATOM 354 C ARG A 674 -11.610 -15.289 -25.020 1.00 0.00 C ATOM 355 O ARG A 674 -10.939 -16.162 -25.564 1.00 0.00 O ATOM 356 CB ARG A 674 -13.356 -16.033 -23.249 1.00 0.00 C ATOM 357 CG ARG A 674 -13.141 -17.548 -22.971 1.00 0.00 C ATOM 358 CD ARG A 674 -11.665 -17.974 -22.931 1.00 0.00 C ATOM 359 NE ARG A 674 -11.446 -19.280 -22.278 1.00 0.00 N ATOM 360 CZ ARG A 674 -10.238 -19.795 -21.962 1.00 0.00 C ATOM 361 NH1 ARG A 674 -9.118 -19.246 -22.414 1.00 0.00 N ATOM 362 NH2 ARG A 674 -10.165 -20.890 -21.228 1.00 0.00 N ATOM 0 H ARG A 674 -13.231 -17.202 -25.984 1.00 0.00 H new ATOM 0 HA ARG A 674 -13.553 -14.528 -24.780 1.00 0.00 H new ATOM 0 HB2 ARG A 674 -12.705 -15.473 -22.577 1.00 0.00 H new ATOM 0 HB3 ARG A 674 -14.382 -15.785 -22.979 1.00 0.00 H new ATOM 0 HG2 ARG A 674 -13.607 -17.802 -22.019 1.00 0.00 H new ATOM 0 HG3 ARG A 674 -13.654 -18.124 -23.741 1.00 0.00 H new ATOM 0 HD2 ARG A 674 -11.280 -18.017 -23.950 1.00 0.00 H new ATOM 0 HD3 ARG A 674 -11.090 -17.213 -22.405 1.00 0.00 H new ATOM 0 HE ARG A 674 -12.270 -19.836 -22.048 1.00 0.00 H new ATOM 0 HH11 ARG A 674 -9.160 -18.420 -23.011 1.00 0.00 H new ATOM 0 HH12 ARG A 674 -8.215 -19.650 -22.164 1.00 0.00 H new ATOM 0 HH21 ARG A 674 -11.019 -21.343 -20.902 1.00 0.00 H new ATOM 0 HH22 ARG A 674 -9.255 -21.283 -20.987 1.00 0.00 H new ATOM 376 N VAL A 675 -11.117 -14.076 -24.673 1.00 0.00 N ATOM 377 CA VAL A 675 -9.739 -13.627 -24.956 1.00 0.00 C ATOM 378 C VAL A 675 -8.976 -13.335 -23.645 1.00 0.00 C ATOM 379 O VAL A 675 -9.410 -12.535 -22.801 1.00 0.00 O ATOM 380 CB VAL A 675 -9.722 -12.364 -25.909 1.00 0.00 C ATOM 381 CG1 VAL A 675 -10.241 -12.729 -27.310 1.00 0.00 C ATOM 382 CG2 VAL A 675 -10.531 -11.171 -25.343 1.00 0.00 C ATOM 0 H VAL A 675 -11.674 -13.376 -24.183 1.00 0.00 H new ATOM 0 HA VAL A 675 -9.230 -14.438 -25.476 1.00 0.00 H new ATOM 0 HB VAL A 675 -8.681 -12.047 -25.977 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -10.220 -11.845 -27.947 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -9.607 -13.503 -27.742 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -11.264 -13.098 -27.234 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -10.482 -10.335 -26.040 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -11.570 -11.469 -25.206 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -10.110 -10.869 -24.384 1.00 0.00 H new ATOM 392 N GLN A 676 -7.844 -14.027 -23.476 1.00 0.00 N ATOM 393 CA GLN A 676 -6.937 -13.861 -22.329 1.00 0.00 C ATOM 394 C GLN A 676 -5.768 -12.969 -22.751 1.00 0.00 C ATOM 395 O GLN A 676 -4.815 -13.434 -23.383 1.00 0.00 O ATOM 396 CB GLN A 676 -6.454 -15.257 -21.802 1.00 0.00 C ATOM 397 CG GLN A 676 -7.456 -15.959 -20.846 1.00 0.00 C ATOM 398 CD GLN A 676 -8.861 -16.144 -21.419 1.00 0.00 C ATOM 399 OE1 GLN A 676 -9.030 -16.400 -22.611 1.00 0.00 O ATOM 400 NE2 GLN A 676 -9.883 -15.972 -20.584 1.00 0.00 N ATOM 0 H GLN A 676 -7.525 -14.730 -24.142 1.00 0.00 H new ATOM 0 HA GLN A 676 -7.460 -13.379 -21.503 1.00 0.00 H new ATOM 0 HB2 GLN A 676 -6.265 -15.909 -22.655 1.00 0.00 H new ATOM 0 HB3 GLN A 676 -5.504 -15.128 -21.283 1.00 0.00 H new ATOM 0 HG2 GLN A 676 -7.056 -16.937 -20.577 1.00 0.00 H new ATOM 0 HG3 GLN A 676 -7.527 -15.379 -19.926 1.00 0.00 H new ATOM 0 HE21 GLN A 676 -9.709 -15.761 -19.601 1.00 0.00 H new ATOM 0 HE22 GLN A 676 -10.840 -16.051 -20.927 1.00 0.00 H new ATOM 409 N CYS A 677 -5.891 -11.669 -22.442 1.00 0.00 N ATOM 410 CA CYS A 677 -4.915 -10.644 -22.835 1.00 0.00 C ATOM 411 C CYS A 677 -3.542 -10.909 -22.196 1.00 0.00 C ATOM 412 O CYS A 677 -3.282 -10.498 -21.054 1.00 0.00 O ATOM 413 CB CYS A 677 -5.423 -9.254 -22.443 1.00 0.00 C ATOM 414 SG CYS A 677 -4.305 -7.891 -22.896 1.00 0.00 S ATOM 0 H CYS A 677 -6.677 -11.298 -21.908 1.00 0.00 H new ATOM 0 HA CYS A 677 -4.796 -10.688 -23.918 1.00 0.00 H new ATOM 0 HB2 CYS A 677 -6.391 -9.087 -22.916 1.00 0.00 H new ATOM 0 HB3 CYS A 677 -5.587 -9.231 -21.366 1.00 0.00 H new ATOM 0 HG CYS A 677 -3.125 -8.114 -22.399 1.00 0.00 H new ATOM 419 N LEU A 678 -2.707 -11.620 -22.961 1.00 0.00 N ATOM 420 CA LEU A 678 -1.333 -12.015 -22.592 1.00 0.00 C ATOM 421 C LEU A 678 -0.448 -10.817 -22.168 1.00 0.00 C ATOM 422 O LEU A 678 0.406 -10.956 -21.286 1.00 0.00 O ATOM 423 CB LEU A 678 -0.665 -12.792 -23.771 1.00 0.00 C ATOM 424 CG LEU A 678 -0.736 -12.121 -25.206 1.00 0.00 C ATOM 425 CD1 LEU A 678 0.550 -12.385 -26.028 1.00 0.00 C ATOM 426 CD2 LEU A 678 -1.985 -12.590 -26.007 1.00 0.00 C ATOM 0 H LEU A 678 -2.974 -11.951 -23.888 1.00 0.00 H new ATOM 0 HA LEU A 678 -1.415 -12.664 -21.720 1.00 0.00 H new ATOM 0 HB2 LEU A 678 0.384 -12.949 -23.522 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.129 -13.777 -23.834 1.00 0.00 H new ATOM 0 HG LEU A 678 -0.823 -11.048 -25.038 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.462 -11.909 -27.005 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.410 -11.973 -25.500 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.684 -13.459 -26.159 1.00 0.00 H new ATOM 0 HD21 LEU A 678 -1.994 -12.106 -26.984 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -1.948 -13.671 -26.138 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -2.889 -12.322 -25.461 1.00 0.00 H new ATOM 438 N LYS A 679 -0.687 -9.641 -22.786 1.00 0.00 N ATOM 439 CA LYS A 679 0.114 -8.425 -22.556 1.00 0.00 C ATOM 440 C LYS A 679 0.047 -7.921 -21.090 1.00 0.00 C ATOM 441 O LYS A 679 1.041 -7.406 -20.573 1.00 0.00 O ATOM 442 CB LYS A 679 -0.336 -7.308 -23.538 1.00 0.00 C ATOM 443 CG LYS A 679 0.452 -5.971 -23.406 1.00 0.00 C ATOM 444 CD LYS A 679 0.208 -4.996 -24.588 1.00 0.00 C ATOM 445 CE LYS A 679 0.756 -5.550 -25.919 1.00 0.00 C ATOM 446 NZ LYS A 679 2.224 -5.827 -25.863 1.00 0.00 N ATOM 0 H LYS A 679 -1.442 -9.510 -23.459 1.00 0.00 H new ATOM 0 HA LYS A 679 1.156 -8.685 -22.742 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -0.232 -7.676 -24.559 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -1.395 -7.107 -23.378 1.00 0.00 H new ATOM 0 HG2 LYS A 679 0.168 -5.480 -22.475 1.00 0.00 H new ATOM 0 HG3 LYS A 679 1.518 -6.190 -23.339 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -0.861 -4.807 -24.687 1.00 0.00 H new ATOM 0 HD3 LYS A 679 0.682 -4.039 -24.372 1.00 0.00 H new ATOM 0 HE2 LYS A 679 0.226 -6.468 -26.172 1.00 0.00 H new ATOM 0 HE3 LYS A 679 0.555 -4.835 -26.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 2.581 -6.000 -26.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 2.716 -5.008 -25.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 2.397 -6.666 -25.273 1.00 0.00 H new ATOM 460 N CYS A 680 -1.109 -8.091 -20.409 1.00 0.00 N ATOM 461 CA CYS A 680 -1.307 -7.518 -19.041 1.00 0.00 C ATOM 462 C CYS A 680 -2.064 -8.487 -18.103 1.00 0.00 C ATOM 463 O CYS A 680 -2.471 -8.081 -17.008 1.00 0.00 O ATOM 464 CB CYS A 680 -2.063 -6.166 -19.139 1.00 0.00 C ATOM 465 SG CYS A 680 -3.848 -6.324 -19.449 1.00 0.00 S ATOM 0 H CYS A 680 -1.911 -8.609 -20.769 1.00 0.00 H new ATOM 0 HA CYS A 680 -0.320 -7.356 -18.607 1.00 0.00 H new ATOM 0 HB2 CYS A 680 -1.915 -5.613 -18.211 1.00 0.00 H new ATOM 0 HB3 CYS A 680 -1.619 -5.572 -19.938 1.00 0.00 H new ATOM 0 HG CYS A 680 -4.040 -6.855 -20.620 1.00 0.00 H new ATOM 470 N HIS A 681 -2.211 -9.763 -18.538 1.00 0.00 N ATOM 471 CA HIS A 681 -2.934 -10.831 -17.790 1.00 0.00 C ATOM 472 C HIS A 681 -4.374 -10.398 -17.413 1.00 0.00 C ATOM 473 O HIS A 681 -4.777 -10.475 -16.250 1.00 0.00 O ATOM 474 CB HIS A 681 -2.127 -11.275 -16.530 1.00 0.00 C ATOM 475 CG HIS A 681 -0.752 -11.818 -16.821 1.00 0.00 C ATOM 476 ND1 HIS A 681 0.365 -11.458 -16.098 1.00 0.00 N ATOM 477 CD2 HIS A 681 -0.322 -12.706 -17.751 1.00 0.00 C ATOM 478 CE1 HIS A 681 1.410 -12.116 -16.551 1.00 0.00 C ATOM 479 NE2 HIS A 681 1.027 -12.875 -17.560 1.00 0.00 N ATOM 0 H HIS A 681 -1.828 -10.086 -19.426 1.00 0.00 H new ATOM 0 HA HIS A 681 -3.022 -11.691 -18.454 1.00 0.00 H new ATOM 0 HB2 HIS A 681 -2.031 -10.422 -15.858 1.00 0.00 H new ATOM 0 HB3 HIS A 681 -2.698 -12.036 -15.999 1.00 0.00 H new ATOM 0 HD2 HIS A 681 -0.928 -13.190 -18.502 1.00 0.00 H new ATOM 0 HE1 HIS A 681 2.415 -12.047 -16.162 1.00 0.00 H new ATOM 0 HE2 HIS A 681 1.633 -13.486 -18.108 1.00 0.00 H new ATOM 488 N LEU A 682 -5.148 -9.950 -18.420 1.00 0.00 N ATOM 489 CA LEU A 682 -6.533 -9.455 -18.226 1.00 0.00 C ATOM 490 C LEU A 682 -7.490 -10.385 -18.985 1.00 0.00 C ATOM 491 O LEU A 682 -7.396 -10.495 -20.218 1.00 0.00 O ATOM 492 CB LEU A 682 -6.643 -7.973 -18.732 1.00 0.00 C ATOM 493 CG LEU A 682 -7.849 -7.099 -18.218 1.00 0.00 C ATOM 494 CD1 LEU A 682 -9.219 -7.565 -18.757 1.00 0.00 C ATOM 495 CD2 LEU A 682 -7.854 -7.039 -16.682 1.00 0.00 C ATOM 0 H LEU A 682 -4.836 -9.919 -19.391 1.00 0.00 H new ATOM 0 HA LEU A 682 -6.801 -9.460 -17.169 1.00 0.00 H new ATOM 0 HB2 LEU A 682 -5.720 -7.459 -18.462 1.00 0.00 H new ATOM 0 HB3 LEU A 682 -6.688 -7.995 -19.821 1.00 0.00 H new ATOM 0 HG LEU A 682 -7.696 -6.096 -18.616 1.00 0.00 H new ATOM 0 HD11 LEU A 682 -10.004 -6.919 -18.363 1.00 0.00 H new ATOM 0 HD12 LEU A 682 -9.218 -7.513 -19.846 1.00 0.00 H new ATOM 0 HD13 LEU A 682 -9.403 -8.592 -18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 682 -8.694 -6.431 -16.344 1.00 0.00 H new ATOM 0 HD22 LEU A 682 -7.950 -8.047 -16.279 1.00 0.00 H new ATOM 0 HD23 LEU A 682 -6.922 -6.596 -16.332 1.00 0.00 H new ATOM 507 N TRP A 683 -8.403 -11.050 -18.251 1.00 0.00 N ATOM 508 CA TRP A 683 -9.344 -12.018 -18.837 1.00 0.00 C ATOM 509 C TRP A 683 -10.619 -11.280 -19.298 1.00 0.00 C ATOM 510 O TRP A 683 -11.179 -10.472 -18.554 1.00 0.00 O ATOM 511 CB TRP A 683 -9.712 -13.149 -17.829 1.00 0.00 C ATOM 512 CG TRP A 683 -8.576 -13.685 -16.964 1.00 0.00 C ATOM 513 CD1 TRP A 683 -8.700 -14.100 -15.673 1.00 0.00 C ATOM 514 CD2 TRP A 683 -7.171 -13.870 -17.298 1.00 0.00 C ATOM 515 NE1 TRP A 683 -7.494 -14.493 -15.176 1.00 0.00 N ATOM 516 CE2 TRP A 683 -6.543 -14.377 -16.147 1.00 0.00 C ATOM 517 CE3 TRP A 683 -6.384 -13.654 -18.436 1.00 0.00 C ATOM 518 CZ2 TRP A 683 -5.184 -14.665 -16.098 1.00 0.00 C ATOM 519 CZ3 TRP A 683 -5.041 -13.950 -18.393 1.00 0.00 C ATOM 520 CH2 TRP A 683 -4.450 -14.451 -17.231 1.00 0.00 C ATOM 0 H TRP A 683 -8.507 -10.931 -17.243 1.00 0.00 H new ATOM 0 HA TRP A 683 -8.859 -12.489 -19.692 1.00 0.00 H new ATOM 0 HB2 TRP A 683 -10.496 -12.777 -17.170 1.00 0.00 H new ATOM 0 HB3 TRP A 683 -10.136 -13.982 -18.390 1.00 0.00 H new ATOM 0 HD1 TRP A 683 -9.627 -14.115 -15.119 1.00 0.00 H new ATOM 0 HE1 TRP A 683 -7.328 -14.823 -14.225 1.00 0.00 H new ATOM 0 HE3 TRP A 683 -6.827 -13.259 -19.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 683 -4.725 -15.044 -15.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 683 -4.434 -13.792 -19.272 1.00 0.00 H new ATOM 0 HH2 TRP A 683 -3.393 -14.674 -17.228 1.00 0.00 H new ATOM 531 N GLN A 684 -11.049 -11.554 -20.527 1.00 0.00 N ATOM 532 CA GLN A 684 -12.248 -10.942 -21.131 1.00 0.00 C ATOM 533 C GLN A 684 -12.933 -11.972 -22.051 1.00 0.00 C ATOM 534 O GLN A 684 -12.428 -13.085 -22.228 1.00 0.00 O ATOM 535 CB GLN A 684 -11.829 -9.681 -21.949 1.00 0.00 C ATOM 536 CG GLN A 684 -12.947 -8.613 -22.172 1.00 0.00 C ATOM 537 CD GLN A 684 -13.169 -7.651 -21.002 1.00 0.00 C ATOM 538 OE1 GLN A 684 -14.264 -7.141 -20.835 1.00 0.00 O ATOM 539 NE2 GLN A 684 -12.156 -7.392 -20.192 1.00 0.00 N ATOM 0 H GLN A 684 -10.576 -12.213 -21.145 1.00 0.00 H new ATOM 0 HA GLN A 684 -12.947 -10.641 -20.350 1.00 0.00 H new ATOM 0 HB2 GLN A 684 -10.992 -9.203 -21.440 1.00 0.00 H new ATOM 0 HB3 GLN A 684 -11.465 -10.008 -22.923 1.00 0.00 H new ATOM 0 HG2 GLN A 684 -12.699 -8.030 -23.059 1.00 0.00 H new ATOM 0 HG3 GLN A 684 -13.884 -9.129 -22.381 1.00 0.00 H new ATOM 0 HE21 GLN A 684 -11.249 -7.831 -20.353 1.00 0.00 H new ATOM 0 HE22 GLN A 684 -12.281 -6.753 -19.407 1.00 0.00 H new ATOM 548 N HIS A 685 -14.100 -11.605 -22.619 1.00 0.00 N ATOM 549 CA HIS A 685 -14.702 -12.348 -23.740 1.00 0.00 C ATOM 550 C HIS A 685 -14.304 -11.710 -25.067 1.00 0.00 C ATOM 551 O HIS A 685 -14.098 -10.492 -25.148 1.00 0.00 O ATOM 552 CB HIS A 685 -16.240 -12.408 -23.660 1.00 0.00 C ATOM 553 CG HIS A 685 -16.783 -13.334 -22.607 1.00 0.00 C ATOM 554 ND1 HIS A 685 -17.586 -12.861 -21.629 1.00 0.00 N ATOM 555 CD2 HIS A 685 -16.648 -14.675 -22.459 1.00 0.00 C ATOM 556 CE1 HIS A 685 -17.937 -13.899 -20.897 1.00 0.00 C ATOM 557 NE2 HIS A 685 -17.391 -15.028 -21.363 1.00 0.00 N ATOM 0 H HIS A 685 -14.644 -10.796 -22.317 1.00 0.00 H new ATOM 0 HA HIS A 685 -14.323 -13.368 -23.674 1.00 0.00 H new ATOM 0 HB2 HIS A 685 -16.619 -11.404 -23.471 1.00 0.00 H new ATOM 0 HB3 HIS A 685 -16.628 -12.717 -24.630 1.00 0.00 H new ATOM 0 HD2 HIS A 685 -16.067 -15.337 -23.084 1.00 0.00 H new ATOM 0 HE1 HIS A 685 -18.582 -13.845 -20.033 1.00 0.00 H new ATOM 0 HE2 HIS A 685 -17.505 -15.966 -20.979 1.00 0.00 H new ATOM 565 N ALA A 686 -14.240 -12.553 -26.097 1.00 0.00 N ATOM 566 CA ALA A 686 -13.998 -12.139 -27.464 1.00 0.00 C ATOM 567 C ALA A 686 -15.191 -11.330 -27.989 1.00 0.00 C ATOM 568 O ALA A 686 -15.028 -10.228 -28.488 1.00 0.00 O ATOM 569 CB ALA A 686 -13.732 -13.375 -28.333 1.00 0.00 C ATOM 0 H ALA A 686 -14.358 -13.561 -25.995 1.00 0.00 H new ATOM 0 HA ALA A 686 -13.119 -11.496 -27.504 1.00 0.00 H new ATOM 0 HB1 ALA A 686 -13.550 -13.064 -29.362 1.00 0.00 H new ATOM 0 HB2 ALA A 686 -12.858 -13.905 -27.954 1.00 0.00 H new ATOM 0 HB3 ALA A 686 -14.599 -14.035 -28.302 1.00 0.00 H new ATOM 575 N LYS A 687 -16.397 -11.879 -27.812 1.00 0.00 N ATOM 576 CA LYS A 687 -17.633 -11.309 -28.375 1.00 0.00 C ATOM 577 C LYS A 687 -18.041 -10.005 -27.654 1.00 0.00 C ATOM 578 O LYS A 687 -18.748 -9.169 -28.224 1.00 0.00 O ATOM 579 CB LYS A 687 -18.760 -12.367 -28.307 1.00 0.00 C ATOM 580 CG LYS A 687 -18.377 -13.740 -28.904 1.00 0.00 C ATOM 581 CD LYS A 687 -17.987 -13.662 -30.401 1.00 0.00 C ATOM 582 CE LYS A 687 -19.189 -13.444 -31.335 1.00 0.00 C ATOM 583 NZ LYS A 687 -19.742 -14.706 -31.859 1.00 0.00 N ATOM 0 H LYS A 687 -16.548 -12.732 -27.274 1.00 0.00 H new ATOM 0 HA LYS A 687 -17.454 -11.044 -29.417 1.00 0.00 H new ATOM 0 HB2 LYS A 687 -19.051 -12.505 -27.266 1.00 0.00 H new ATOM 0 HB3 LYS A 687 -19.634 -11.985 -28.835 1.00 0.00 H new ATOM 0 HG2 LYS A 687 -17.543 -14.156 -28.338 1.00 0.00 H new ATOM 0 HG3 LYS A 687 -19.215 -14.427 -28.788 1.00 0.00 H new ATOM 0 HD2 LYS A 687 -17.275 -12.849 -30.541 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -17.478 -14.583 -30.685 1.00 0.00 H new ATOM 0 HE2 LYS A 687 -19.969 -12.907 -30.796 1.00 0.00 H new ATOM 0 HE3 LYS A 687 -18.885 -12.812 -32.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -20.732 -14.560 -32.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -19.188 -15.012 -32.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -19.697 -15.438 -31.121 1.00 0.00 H new ATOM 597 N CYS A 688 -17.558 -9.830 -26.404 1.00 0.00 N ATOM 598 CA CYS A 688 -17.762 -8.582 -25.631 1.00 0.00 C ATOM 599 C CYS A 688 -16.895 -7.433 -26.189 1.00 0.00 C ATOM 600 O CYS A 688 -17.133 -6.264 -25.886 1.00 0.00 O ATOM 601 CB CYS A 688 -17.466 -8.813 -24.131 1.00 0.00 C ATOM 602 SG CYS A 688 -18.683 -9.877 -23.283 1.00 0.00 S ATOM 0 H CYS A 688 -17.022 -10.540 -25.906 1.00 0.00 H new ATOM 0 HA CYS A 688 -18.808 -8.292 -25.733 1.00 0.00 H new ATOM 0 HB2 CYS A 688 -16.477 -9.261 -24.032 1.00 0.00 H new ATOM 0 HB3 CYS A 688 -17.430 -7.848 -23.626 1.00 0.00 H new ATOM 0 HG CYS A 688 -18.217 -10.229 -22.122 1.00 0.00 H new ATOM 607 N VAL A 689 -15.868 -7.786 -26.998 1.00 0.00 N ATOM 608 CA VAL A 689 -14.977 -6.810 -27.670 1.00 0.00 C ATOM 609 C VAL A 689 -15.022 -7.005 -29.217 1.00 0.00 C ATOM 610 O VAL A 689 -14.131 -6.534 -29.939 1.00 0.00 O ATOM 611 CB VAL A 689 -13.500 -6.909 -27.098 1.00 0.00 C ATOM 612 CG1 VAL A 689 -13.486 -6.661 -25.561 1.00 0.00 C ATOM 613 CG2 VAL A 689 -12.822 -8.263 -27.433 1.00 0.00 C ATOM 0 H VAL A 689 -15.634 -8.757 -27.203 1.00 0.00 H new ATOM 0 HA VAL A 689 -15.335 -5.803 -27.458 1.00 0.00 H new ATOM 0 HB VAL A 689 -12.920 -6.129 -27.590 1.00 0.00 H new ATOM 0 HG11 VAL A 689 -12.464 -6.734 -25.190 1.00 0.00 H new ATOM 0 HG12 VAL A 689 -13.879 -5.667 -25.349 1.00 0.00 H new ATOM 0 HG13 VAL A 689 -14.105 -7.409 -25.066 1.00 0.00 H new ATOM 0 HG21 VAL A 689 -11.814 -8.278 -27.018 1.00 0.00 H new ATOM 0 HG22 VAL A 689 -13.404 -9.078 -27.002 1.00 0.00 H new ATOM 0 HG23 VAL A 689 -12.771 -8.387 -28.515 1.00 0.00 H new ATOM 623 N ASN A 690 -16.106 -7.694 -29.695 1.00 0.00 N ATOM 624 CA ASN A 690 -16.437 -7.927 -31.145 1.00 0.00 C ATOM 625 C ASN A 690 -15.494 -8.933 -31.855 1.00 0.00 C ATOM 626 O ASN A 690 -15.675 -9.219 -33.042 1.00 0.00 O ATOM 627 CB ASN A 690 -16.534 -6.595 -31.954 1.00 0.00 C ATOM 628 CG ASN A 690 -17.676 -5.692 -31.483 1.00 0.00 C ATOM 629 OD1 ASN A 690 -17.496 -4.850 -30.600 1.00 0.00 O ATOM 630 ND2 ASN A 690 -18.861 -5.859 -32.067 1.00 0.00 N ATOM 0 H ASN A 690 -16.793 -8.114 -29.069 1.00 0.00 H new ATOM 0 HA ASN A 690 -17.424 -8.390 -31.129 1.00 0.00 H new ATOM 0 HB2 ASN A 690 -15.591 -6.054 -31.868 1.00 0.00 H new ATOM 0 HB3 ASN A 690 -16.673 -6.827 -33.010 1.00 0.00 H new ATOM 0 HD21 ASN A 690 -19.654 -5.281 -31.787 1.00 0.00 H new ATOM 0 HD22 ASN A 690 -18.976 -6.565 -32.794 1.00 0.00 H new ATOM 637 N TYR A 691 -14.535 -9.476 -31.111 1.00 0.00 N ATOM 638 CA TYR A 691 -13.565 -10.479 -31.585 1.00 0.00 C ATOM 639 C TYR A 691 -14.275 -11.859 -31.614 1.00 0.00 C ATOM 640 O TYR A 691 -15.288 -12.037 -30.934 1.00 0.00 O ATOM 641 CB TYR A 691 -12.360 -10.435 -30.599 1.00 0.00 C ATOM 642 CG TYR A 691 -11.071 -11.183 -31.001 1.00 0.00 C ATOM 643 CD1 TYR A 691 -10.892 -12.532 -30.702 1.00 0.00 C ATOM 644 CD2 TYR A 691 -10.010 -10.513 -31.625 1.00 0.00 C ATOM 645 CE1 TYR A 691 -9.721 -13.185 -31.014 1.00 0.00 C ATOM 646 CE2 TYR A 691 -8.835 -11.173 -31.941 1.00 0.00 C ATOM 647 CZ TYR A 691 -8.698 -12.506 -31.631 1.00 0.00 C ATOM 648 OH TYR A 691 -7.537 -13.171 -31.951 1.00 0.00 O ATOM 0 H TYR A 691 -14.401 -9.228 -30.131 1.00 0.00 H new ATOM 0 HA TYR A 691 -13.197 -10.285 -32.592 1.00 0.00 H new ATOM 0 HB2 TYR A 691 -12.102 -9.389 -30.433 1.00 0.00 H new ATOM 0 HB3 TYR A 691 -12.695 -10.836 -29.643 1.00 0.00 H new ATOM 0 HD1 TYR A 691 -11.688 -13.076 -30.216 1.00 0.00 H new ATOM 0 HD2 TYR A 691 -10.111 -9.464 -31.863 1.00 0.00 H new ATOM 0 HE1 TYR A 691 -9.606 -14.232 -30.774 1.00 0.00 H new ATOM 0 HE2 TYR A 691 -8.030 -10.644 -32.429 1.00 0.00 H new ATOM 0 HH TYR A 691 -7.742 -13.915 -32.555 1.00 0.00 H new ATOM 658 N ASP A 692 -13.781 -12.833 -32.401 1.00 0.00 N ATOM 659 CA ASP A 692 -14.404 -14.191 -32.469 1.00 0.00 C ATOM 660 C ASP A 692 -13.379 -15.305 -32.249 1.00 0.00 C ATOM 661 O ASP A 692 -12.164 -15.101 -32.329 1.00 0.00 O ATOM 662 CB ASP A 692 -15.144 -14.450 -33.816 1.00 0.00 C ATOM 663 CG ASP A 692 -16.534 -13.808 -33.916 1.00 0.00 C ATOM 664 OD1 ASP A 692 -16.636 -12.566 -33.967 1.00 0.00 O ATOM 665 OD2 ASP A 692 -17.542 -14.560 -33.936 1.00 0.00 O ATOM 0 H ASP A 692 -12.961 -12.718 -32.997 1.00 0.00 H new ATOM 0 HA ASP A 692 -15.136 -14.207 -31.661 1.00 0.00 H new ATOM 0 HB2 ASP A 692 -14.526 -14.076 -34.632 1.00 0.00 H new ATOM 0 HB3 ASP A 692 -15.244 -15.526 -33.959 1.00 0.00 H new ATOM 670 N GLU A 693 -13.930 -16.515 -32.025 1.00 0.00 N ATOM 671 CA GLU A 693 -13.153 -17.739 -31.774 1.00 0.00 C ATOM 672 C GLU A 693 -12.389 -18.229 -33.020 1.00 0.00 C ATOM 673 O GLU A 693 -11.287 -18.768 -32.881 1.00 0.00 O ATOM 674 CB GLU A 693 -14.065 -18.857 -31.176 1.00 0.00 C ATOM 675 CG GLU A 693 -15.408 -19.098 -31.921 1.00 0.00 C ATOM 676 CD GLU A 693 -15.371 -20.048 -33.132 1.00 0.00 C ATOM 677 OE1 GLU A 693 -14.365 -20.752 -33.351 1.00 0.00 O ATOM 678 OE2 GLU A 693 -16.382 -20.102 -33.860 1.00 0.00 O ATOM 0 H GLU A 693 -14.938 -16.668 -32.014 1.00 0.00 H new ATOM 0 HA GLU A 693 -12.390 -17.489 -31.036 1.00 0.00 H new ATOM 0 HB2 GLU A 693 -13.504 -19.791 -31.165 1.00 0.00 H new ATOM 0 HB3 GLU A 693 -14.286 -18.605 -30.139 1.00 0.00 H new ATOM 0 HG2 GLU A 693 -16.128 -19.491 -31.203 1.00 0.00 H new ATOM 0 HG3 GLU A 693 -15.787 -18.133 -32.258 1.00 0.00 H new ATOM 685 N LYS A 694 -12.961 -18.000 -34.223 1.00 0.00 N ATOM 686 CA LYS A 694 -12.358 -18.453 -35.513 1.00 0.00 C ATOM 687 C LYS A 694 -10.872 -18.029 -35.621 1.00 0.00 C ATOM 688 O LYS A 694 -10.004 -18.831 -35.975 1.00 0.00 O ATOM 689 CB LYS A 694 -13.125 -17.909 -36.767 1.00 0.00 C ATOM 690 CG LYS A 694 -14.615 -18.333 -36.917 1.00 0.00 C ATOM 691 CD LYS A 694 -15.583 -17.519 -36.026 1.00 0.00 C ATOM 692 CE LYS A 694 -17.064 -17.804 -36.332 1.00 0.00 C ATOM 693 NZ LYS A 694 -17.969 -16.969 -35.501 1.00 0.00 N ATOM 0 H LYS A 694 -13.844 -17.502 -34.336 1.00 0.00 H new ATOM 0 HA LYS A 694 -12.436 -19.540 -35.505 1.00 0.00 H new ATOM 0 HB2 LYS A 694 -13.082 -16.820 -36.745 1.00 0.00 H new ATOM 0 HB3 LYS A 694 -12.589 -18.231 -37.659 1.00 0.00 H new ATOM 0 HG2 LYS A 694 -14.913 -18.221 -37.960 1.00 0.00 H new ATOM 0 HG3 LYS A 694 -14.710 -19.390 -36.670 1.00 0.00 H new ATOM 0 HD2 LYS A 694 -15.383 -17.747 -34.979 1.00 0.00 H new ATOM 0 HD3 LYS A 694 -15.387 -16.456 -36.163 1.00 0.00 H new ATOM 0 HE2 LYS A 694 -17.260 -17.614 -37.387 1.00 0.00 H new ATOM 0 HE3 LYS A 694 -17.276 -18.858 -36.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 694 -18.724 -16.575 -36.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 694 -18.390 -17.554 -34.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 694 -17.427 -16.192 -35.071 1.00 0.00 H new ATOM 707 N ASN A 695 -10.612 -16.763 -35.256 1.00 0.00 N ATOM 708 CA ASN A 695 -9.268 -16.154 -35.304 1.00 0.00 C ATOM 709 C ASN A 695 -8.629 -16.046 -33.902 1.00 0.00 C ATOM 710 O ASN A 695 -7.519 -15.549 -33.773 1.00 0.00 O ATOM 711 CB ASN A 695 -9.340 -14.770 -35.994 1.00 0.00 C ATOM 712 CG ASN A 695 -10.363 -13.830 -35.359 1.00 0.00 C ATOM 713 OD1 ASN A 695 -11.508 -13.759 -35.787 1.00 0.00 O ATOM 714 ND2 ASN A 695 -9.981 -13.154 -34.302 1.00 0.00 N ATOM 0 H ASN A 695 -11.333 -16.126 -34.916 1.00 0.00 H new ATOM 0 HA ASN A 695 -8.623 -16.808 -35.891 1.00 0.00 H new ATOM 0 HB2 ASN A 695 -8.356 -14.302 -35.958 1.00 0.00 H new ATOM 0 HB3 ASN A 695 -9.589 -14.909 -37.046 1.00 0.00 H new ATOM 0 HD21 ASN A 695 -10.644 -12.551 -33.815 1.00 0.00 H new ATOM 0 HD22 ASN A 695 -9.021 -13.232 -33.967 1.00 0.00 H new ATOM 721 N LEU A 696 -9.350 -16.494 -32.862 1.00 0.00 N ATOM 722 CA LEU A 696 -8.785 -16.711 -31.499 1.00 0.00 C ATOM 723 C LEU A 696 -7.793 -17.891 -31.537 1.00 0.00 C ATOM 724 O LEU A 696 -6.817 -17.936 -30.779 1.00 0.00 O ATOM 725 CB LEU A 696 -9.957 -16.979 -30.521 1.00 0.00 C ATOM 726 CG LEU A 696 -9.647 -17.369 -29.042 1.00 0.00 C ATOM 727 CD1 LEU A 696 -8.924 -16.240 -28.282 1.00 0.00 C ATOM 728 CD2 LEU A 696 -10.952 -17.792 -28.319 1.00 0.00 C ATOM 0 H LEU A 696 -10.342 -16.719 -32.931 1.00 0.00 H new ATOM 0 HA LEU A 696 -8.239 -15.831 -31.158 1.00 0.00 H new ATOM 0 HB2 LEU A 696 -10.577 -16.083 -30.500 1.00 0.00 H new ATOM 0 HB3 LEU A 696 -10.564 -17.776 -30.949 1.00 0.00 H new ATOM 0 HG LEU A 696 -8.964 -18.218 -29.056 1.00 0.00 H new ATOM 0 HD11 LEU A 696 -8.729 -16.558 -27.258 1.00 0.00 H new ATOM 0 HD12 LEU A 696 -7.980 -16.014 -28.778 1.00 0.00 H new ATOM 0 HD13 LEU A 696 -9.551 -15.348 -28.273 1.00 0.00 H new ATOM 0 HD21 LEU A 696 -10.725 -18.062 -27.288 1.00 0.00 H new ATOM 0 HD22 LEU A 696 -11.659 -16.963 -28.330 1.00 0.00 H new ATOM 0 HD23 LEU A 696 -11.390 -18.649 -28.831 1.00 0.00 H new ATOM 740 N LYS A 697 -8.067 -18.835 -32.454 1.00 0.00 N ATOM 741 CA LYS A 697 -7.198 -19.994 -32.742 1.00 0.00 C ATOM 742 C LYS A 697 -6.157 -19.686 -33.856 1.00 0.00 C ATOM 743 O LYS A 697 -5.553 -20.617 -34.402 1.00 0.00 O ATOM 744 CB LYS A 697 -8.075 -21.239 -33.120 1.00 0.00 C ATOM 745 CG LYS A 697 -8.678 -22.003 -31.899 1.00 0.00 C ATOM 746 CD LYS A 697 -9.982 -21.380 -31.326 1.00 0.00 C ATOM 747 CE LYS A 697 -11.227 -21.761 -32.155 1.00 0.00 C ATOM 748 NZ LYS A 697 -11.548 -23.209 -32.068 1.00 0.00 N ATOM 0 H LYS A 697 -8.911 -18.816 -33.026 1.00 0.00 H new ATOM 0 HA LYS A 697 -6.631 -20.218 -31.838 1.00 0.00 H new ATOM 0 HB2 LYS A 697 -8.890 -20.911 -33.765 1.00 0.00 H new ATOM 0 HB3 LYS A 697 -7.467 -21.932 -33.702 1.00 0.00 H new ATOM 0 HG2 LYS A 697 -8.882 -23.032 -32.196 1.00 0.00 H new ATOM 0 HG3 LYS A 697 -7.931 -22.042 -31.106 1.00 0.00 H new ATOM 0 HD2 LYS A 697 -10.118 -21.711 -30.297 1.00 0.00 H new ATOM 0 HD3 LYS A 697 -9.883 -20.295 -31.301 1.00 0.00 H new ATOM 0 HE2 LYS A 697 -12.082 -21.181 -31.807 1.00 0.00 H new ATOM 0 HE3 LYS A 697 -11.061 -21.491 -33.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 -12.513 -23.372 -32.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 -10.873 -23.750 -32.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 -11.484 -23.520 -31.078 1.00 0.00 H new ATOM 762 N ILE A 698 -5.937 -18.388 -34.193 1.00 0.00 N ATOM 763 CA ILE A 698 -4.949 -17.977 -35.235 1.00 0.00 C ATOM 764 C ILE A 698 -4.131 -16.776 -34.723 1.00 0.00 C ATOM 765 O ILE A 698 -2.941 -16.877 -34.410 1.00 0.00 O ATOM 766 CB ILE A 698 -5.636 -17.539 -36.605 1.00 0.00 C ATOM 767 CG1 ILE A 698 -6.762 -18.524 -37.028 1.00 0.00 C ATOM 768 CG2 ILE A 698 -4.579 -17.379 -37.730 1.00 0.00 C ATOM 769 CD1 ILE A 698 -7.587 -18.064 -38.219 1.00 0.00 C ATOM 0 H ILE A 698 -6.429 -17.606 -33.760 1.00 0.00 H new ATOM 0 HA ILE A 698 -4.321 -18.848 -35.425 1.00 0.00 H new ATOM 0 HB ILE A 698 -6.103 -16.568 -36.439 1.00 0.00 H new ATOM 0 HG12 ILE A 698 -6.314 -19.489 -37.264 1.00 0.00 H new ATOM 0 HG13 ILE A 698 -7.428 -18.681 -36.179 1.00 0.00 H new ATOM 0 HG21 ILE A 698 -5.074 -17.080 -38.654 1.00 0.00 H new ATOM 0 HG22 ILE A 698 -3.855 -16.617 -37.443 1.00 0.00 H new ATOM 0 HG23 ILE A 698 -4.065 -18.328 -37.884 1.00 0.00 H new ATOM 0 HD11 ILE A 698 -8.348 -18.811 -38.445 1.00 0.00 H new ATOM 0 HD12 ILE A 698 -8.068 -17.115 -37.983 1.00 0.00 H new ATOM 0 HD13 ILE A 698 -6.937 -17.936 -39.084 1.00 0.00 H new ATOM 781 N LYS A 699 -4.832 -15.639 -34.644 1.00 0.00 N ATOM 782 CA LYS A 699 -4.256 -14.310 -34.404 1.00 0.00 C ATOM 783 C LYS A 699 -4.134 -13.987 -32.897 1.00 0.00 C ATOM 784 O LYS A 699 -4.880 -14.541 -32.081 1.00 0.00 O ATOM 785 CB LYS A 699 -5.167 -13.267 -35.104 1.00 0.00 C ATOM 786 CG LYS A 699 -5.237 -13.444 -36.641 1.00 0.00 C ATOM 787 CD LYS A 699 -6.449 -12.739 -37.288 1.00 0.00 C ATOM 788 CE LYS A 699 -6.447 -11.223 -37.073 1.00 0.00 C ATOM 789 NZ LYS A 699 -7.608 -10.561 -37.719 1.00 0.00 N ATOM 0 H LYS A 699 -5.846 -15.617 -34.748 1.00 0.00 H new ATOM 0 HA LYS A 699 -3.244 -14.283 -34.809 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.173 -13.339 -34.691 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -4.801 -12.266 -34.877 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -4.321 -13.055 -37.086 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -5.278 -14.508 -36.875 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -6.455 -12.948 -38.358 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -7.367 -13.157 -36.876 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -6.458 -11.010 -36.004 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -5.524 -10.803 -37.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -7.564 -9.536 -37.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -7.585 -10.741 -38.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -8.490 -10.941 -37.321 1.00 0.00 H new ATOM 803 N PRO A 700 -3.173 -13.076 -32.512 1.00 0.00 N ATOM 804 CA PRO A 700 -3.081 -12.498 -31.139 1.00 0.00 C ATOM 805 C PRO A 700 -4.386 -11.788 -30.698 1.00 0.00 C ATOM 806 O PRO A 700 -5.144 -11.270 -31.529 1.00 0.00 O ATOM 807 CB PRO A 700 -1.903 -11.483 -31.260 1.00 0.00 C ATOM 808 CG PRO A 700 -1.780 -11.236 -32.735 1.00 0.00 C ATOM 809 CD PRO A 700 -2.071 -12.563 -33.370 1.00 0.00 C ATOM 0 HA PRO A 700 -2.923 -13.265 -30.381 1.00 0.00 H new ATOM 0 HB2 PRO A 700 -2.114 -10.561 -30.718 1.00 0.00 H new ATOM 0 HB3 PRO A 700 -0.981 -11.892 -30.846 1.00 0.00 H new ATOM 0 HG2 PRO A 700 -2.485 -10.474 -33.069 1.00 0.00 H new ATOM 0 HG3 PRO A 700 -0.782 -10.883 -32.995 1.00 0.00 H new ATOM 0 HD2 PRO A 700 -2.378 -12.460 -34.411 1.00 0.00 H new ATOM 0 HD3 PRO A 700 -1.203 -13.222 -33.357 1.00 0.00 H new ATOM 817 N PHE A 701 -4.620 -11.755 -29.375 1.00 0.00 N ATOM 818 CA PHE A 701 -5.879 -11.271 -28.777 1.00 0.00 C ATOM 819 C PHE A 701 -5.597 -10.467 -27.498 1.00 0.00 C ATOM 820 O PHE A 701 -4.827 -10.905 -26.632 1.00 0.00 O ATOM 821 CB PHE A 701 -6.831 -12.469 -28.496 1.00 0.00 C ATOM 822 CG PHE A 701 -6.169 -13.712 -27.884 1.00 0.00 C ATOM 823 CD1 PHE A 701 -5.618 -14.701 -28.705 1.00 0.00 C ATOM 824 CD2 PHE A 701 -6.106 -13.895 -26.505 1.00 0.00 C ATOM 825 CE1 PHE A 701 -5.027 -15.825 -28.165 1.00 0.00 C ATOM 826 CE2 PHE A 701 -5.514 -15.022 -25.967 1.00 0.00 C ATOM 827 CZ PHE A 701 -4.975 -15.985 -26.795 1.00 0.00 C ATOM 0 H PHE A 701 -3.937 -12.065 -28.684 1.00 0.00 H new ATOM 0 HA PHE A 701 -6.373 -10.603 -29.483 1.00 0.00 H new ATOM 0 HB2 PHE A 701 -7.621 -12.132 -27.825 1.00 0.00 H new ATOM 0 HB3 PHE A 701 -7.309 -12.758 -29.432 1.00 0.00 H new ATOM 0 HD1 PHE A 701 -5.656 -14.583 -29.778 1.00 0.00 H new ATOM 0 HD2 PHE A 701 -6.525 -13.147 -25.848 1.00 0.00 H new ATOM 0 HE1 PHE A 701 -4.606 -16.579 -28.814 1.00 0.00 H new ATOM 0 HE2 PHE A 701 -5.473 -15.149 -24.895 1.00 0.00 H new ATOM 0 HZ PHE A 701 -4.512 -16.864 -26.371 1.00 0.00 H new ATOM 837 N TYR A 702 -6.219 -9.271 -27.388 1.00 0.00 N ATOM 838 CA TYR A 702 -5.953 -8.313 -26.291 1.00 0.00 C ATOM 839 C TYR A 702 -7.260 -7.702 -25.757 1.00 0.00 C ATOM 840 O TYR A 702 -8.297 -7.726 -26.425 1.00 0.00 O ATOM 841 CB TYR A 702 -4.973 -7.192 -26.766 1.00 0.00 C ATOM 842 CG TYR A 702 -3.649 -7.745 -27.330 1.00 0.00 C ATOM 843 CD1 TYR A 702 -2.657 -8.245 -26.482 1.00 0.00 C ATOM 844 CD2 TYR A 702 -3.423 -7.818 -28.705 1.00 0.00 C ATOM 845 CE1 TYR A 702 -1.495 -8.787 -26.989 1.00 0.00 C ATOM 846 CE2 TYR A 702 -2.267 -8.369 -29.212 1.00 0.00 C ATOM 847 CZ TYR A 702 -1.303 -8.848 -28.354 1.00 0.00 C ATOM 848 OH TYR A 702 -0.144 -9.400 -28.861 1.00 0.00 O ATOM 0 H TYR A 702 -6.918 -8.944 -28.055 1.00 0.00 H new ATOM 0 HA TYR A 702 -5.482 -8.860 -25.474 1.00 0.00 H new ATOM 0 HB2 TYR A 702 -5.463 -6.589 -27.531 1.00 0.00 H new ATOM 0 HB3 TYR A 702 -4.755 -6.529 -25.929 1.00 0.00 H new ATOM 0 HD1 TYR A 702 -2.803 -8.206 -25.413 1.00 0.00 H new ATOM 0 HD2 TYR A 702 -4.169 -7.435 -29.385 1.00 0.00 H new ATOM 0 HE1 TYR A 702 -0.736 -9.163 -26.319 1.00 0.00 H new ATOM 0 HE2 TYR A 702 -2.117 -8.425 -30.280 1.00 0.00 H new ATOM 0 HH TYR A 702 -0.167 -9.367 -29.840 1.00 0.00 H new ATOM 858 N CYS A 703 -7.176 -7.167 -24.528 1.00 0.00 N ATOM 859 CA CYS A 703 -8.309 -6.531 -23.822 1.00 0.00 C ATOM 860 C CYS A 703 -8.479 -5.060 -24.291 1.00 0.00 C ATOM 861 O CYS A 703 -7.481 -4.455 -24.730 1.00 0.00 O ATOM 862 CB CYS A 703 -8.060 -6.598 -22.294 1.00 0.00 C ATOM 863 SG CYS A 703 -6.867 -5.381 -21.651 1.00 0.00 S ATOM 0 H CYS A 703 -6.311 -7.162 -23.987 1.00 0.00 H new ATOM 0 HA CYS A 703 -9.230 -7.065 -24.055 1.00 0.00 H new ATOM 0 HB2 CYS A 703 -9.011 -6.458 -21.780 1.00 0.00 H new ATOM 0 HB3 CYS A 703 -7.706 -7.598 -22.043 1.00 0.00 H new ATOM 0 HG CYS A 703 -5.963 -5.991 -20.943 1.00 0.00 H new ATOM 868 N PRO A 704 -9.717 -4.444 -24.164 1.00 0.00 N ATOM 869 CA PRO A 704 -10.020 -3.099 -24.735 1.00 0.00 C ATOM 870 C PRO A 704 -9.074 -1.975 -24.242 1.00 0.00 C ATOM 871 O PRO A 704 -8.707 -1.106 -25.028 1.00 0.00 O ATOM 872 CB PRO A 704 -11.495 -2.835 -24.304 1.00 0.00 C ATOM 873 CG PRO A 704 -11.727 -3.765 -23.149 1.00 0.00 C ATOM 874 CD PRO A 704 -10.915 -4.997 -23.464 1.00 0.00 C ATOM 0 HA PRO A 704 -9.874 -3.092 -25.815 1.00 0.00 H new ATOM 0 HB2 PRO A 704 -11.642 -1.795 -24.011 1.00 0.00 H new ATOM 0 HB3 PRO A 704 -12.188 -3.037 -25.120 1.00 0.00 H new ATOM 0 HG2 PRO A 704 -11.409 -3.313 -22.210 1.00 0.00 H new ATOM 0 HG3 PRO A 704 -12.785 -4.007 -23.044 1.00 0.00 H new ATOM 0 HD2 PRO A 704 -10.639 -5.540 -22.560 1.00 0.00 H new ATOM 0 HD3 PRO A 704 -11.466 -5.692 -24.097 1.00 0.00 H new ATOM 882 N HIS A 705 -8.659 -2.030 -22.956 1.00 0.00 N ATOM 883 CA HIS A 705 -7.773 -0.996 -22.352 1.00 0.00 C ATOM 884 C HIS A 705 -6.391 -0.933 -23.045 1.00 0.00 C ATOM 885 O HIS A 705 -5.851 0.159 -23.238 1.00 0.00 O ATOM 886 CB HIS A 705 -7.610 -1.212 -20.819 1.00 0.00 C ATOM 887 CG HIS A 705 -8.769 -0.706 -19.993 1.00 0.00 C ATOM 888 ND1 HIS A 705 -8.692 0.440 -19.225 1.00 0.00 N ATOM 889 CD2 HIS A 705 -10.023 -1.184 -19.821 1.00 0.00 C ATOM 890 CE1 HIS A 705 -9.845 0.633 -18.617 1.00 0.00 C ATOM 891 NE2 HIS A 705 -10.669 -0.338 -18.959 1.00 0.00 N ATOM 0 H HIS A 705 -8.921 -2.777 -22.313 1.00 0.00 H new ATOM 0 HA HIS A 705 -8.262 -0.035 -22.511 1.00 0.00 H new ATOM 0 HB2 HIS A 705 -7.479 -2.277 -20.626 1.00 0.00 H new ATOM 0 HB3 HIS A 705 -6.699 -0.714 -20.489 1.00 0.00 H new ATOM 0 HD2 HIS A 705 -10.438 -2.070 -20.279 1.00 0.00 H new ATOM 0 HE1 HIS A 705 -10.077 1.450 -17.950 1.00 0.00 H new ATOM 0 HE2 HIS A 705 -11.630 -0.442 -18.635 1.00 0.00 H new ATOM 900 N CYS A 706 -5.840 -2.101 -23.432 1.00 0.00 N ATOM 901 CA CYS A 706 -4.543 -2.168 -24.155 1.00 0.00 C ATOM 902 C CYS A 706 -4.669 -1.595 -25.578 1.00 0.00 C ATOM 903 O CYS A 706 -3.730 -0.967 -26.088 1.00 0.00 O ATOM 904 CB CYS A 706 -3.993 -3.610 -24.200 1.00 0.00 C ATOM 905 SG CYS A 706 -3.364 -4.223 -22.607 1.00 0.00 S ATOM 0 H CYS A 706 -6.267 -3.011 -23.259 1.00 0.00 H new ATOM 0 HA CYS A 706 -3.833 -1.555 -23.600 1.00 0.00 H new ATOM 0 HB2 CYS A 706 -4.783 -4.277 -24.546 1.00 0.00 H new ATOM 0 HB3 CYS A 706 -3.191 -3.657 -24.936 1.00 0.00 H new ATOM 0 HG CYS A 706 -3.599 -5.498 -22.509 1.00 0.00 H new ATOM 910 N LEU A 707 -5.846 -1.803 -26.203 1.00 0.00 N ATOM 911 CA LEU A 707 -6.139 -1.279 -27.549 1.00 0.00 C ATOM 912 C LEU A 707 -6.164 0.266 -27.516 1.00 0.00 C ATOM 913 O LEU A 707 -5.521 0.928 -28.339 1.00 0.00 O ATOM 914 CB LEU A 707 -7.489 -1.842 -28.072 1.00 0.00 C ATOM 915 CG LEU A 707 -7.621 -3.406 -28.088 1.00 0.00 C ATOM 916 CD1 LEU A 707 -9.031 -3.847 -28.546 1.00 0.00 C ATOM 917 CD2 LEU A 707 -6.521 -4.068 -28.955 1.00 0.00 C ATOM 0 H LEU A 707 -6.613 -2.335 -25.791 1.00 0.00 H new ATOM 0 HA LEU A 707 -5.354 -1.601 -28.233 1.00 0.00 H new ATOM 0 HB2 LEU A 707 -8.292 -1.435 -27.457 1.00 0.00 H new ATOM 0 HB3 LEU A 707 -7.646 -1.473 -29.086 1.00 0.00 H new ATOM 0 HG LEU A 707 -7.479 -3.750 -27.064 1.00 0.00 H new ATOM 0 HD11 LEU A 707 -9.090 -4.935 -28.546 1.00 0.00 H new ATOM 0 HD12 LEU A 707 -9.778 -3.443 -27.863 1.00 0.00 H new ATOM 0 HD13 LEU A 707 -9.220 -3.473 -29.552 1.00 0.00 H new ATOM 0 HD21 LEU A 707 -6.648 -5.150 -28.940 1.00 0.00 H new ATOM 0 HD22 LEU A 707 -6.600 -3.708 -29.981 1.00 0.00 H new ATOM 0 HD23 LEU A 707 -5.540 -3.812 -28.556 1.00 0.00 H new ATOM 929 N VAL A 708 -6.867 0.807 -26.497 1.00 0.00 N ATOM 930 CA VAL A 708 -7.005 2.262 -26.261 1.00 0.00 C ATOM 931 C VAL A 708 -5.652 2.892 -25.849 1.00 0.00 C ATOM 932 O VAL A 708 -5.370 4.052 -26.173 1.00 0.00 O ATOM 933 CB VAL A 708 -8.108 2.551 -25.165 1.00 0.00 C ATOM 934 CG1 VAL A 708 -8.239 4.062 -24.842 1.00 0.00 C ATOM 935 CG2 VAL A 708 -9.478 1.964 -25.599 1.00 0.00 C ATOM 0 H VAL A 708 -7.360 0.240 -25.807 1.00 0.00 H new ATOM 0 HA VAL A 708 -7.321 2.722 -27.197 1.00 0.00 H new ATOM 0 HB VAL A 708 -7.785 2.056 -24.249 1.00 0.00 H new ATOM 0 HG11 VAL A 708 -9.009 4.207 -24.084 1.00 0.00 H new ATOM 0 HG12 VAL A 708 -7.287 4.438 -24.468 1.00 0.00 H new ATOM 0 HG13 VAL A 708 -8.513 4.605 -25.746 1.00 0.00 H new ATOM 0 HG21 VAL A 708 -10.223 2.173 -24.832 1.00 0.00 H new ATOM 0 HG22 VAL A 708 -9.788 2.420 -26.539 1.00 0.00 H new ATOM 0 HG23 VAL A 708 -9.386 0.886 -25.731 1.00 0.00 H new ATOM 945 N ALA A 709 -4.812 2.101 -25.161 1.00 0.00 N ATOM 946 CA ALA A 709 -3.463 2.535 -24.739 1.00 0.00 C ATOM 947 C ALA A 709 -2.532 2.736 -25.955 1.00 0.00 C ATOM 948 O ALA A 709 -1.643 3.598 -25.932 1.00 0.00 O ATOM 949 CB ALA A 709 -2.865 1.521 -23.751 1.00 0.00 C ATOM 0 H ALA A 709 -5.044 1.148 -24.881 1.00 0.00 H new ATOM 0 HA ALA A 709 -3.556 3.498 -24.236 1.00 0.00 H new ATOM 0 HB1 ALA A 709 -1.872 1.851 -23.447 1.00 0.00 H new ATOM 0 HB2 ALA A 709 -3.507 1.446 -22.873 1.00 0.00 H new ATOM 0 HB3 ALA A 709 -2.792 0.545 -24.231 1.00 0.00 H new ATOM 955 N MET A 710 -2.748 1.925 -27.009 1.00 0.00 N ATOM 956 CA MET A 710 -2.005 2.041 -28.283 1.00 0.00 C ATOM 957 C MET A 710 -2.568 3.176 -29.176 1.00 0.00 C ATOM 958 O MET A 710 -1.878 3.641 -30.091 1.00 0.00 O ATOM 959 CB MET A 710 -2.024 0.689 -29.048 1.00 0.00 C ATOM 960 CG MET A 710 -1.319 -0.471 -28.320 1.00 0.00 C ATOM 961 SD MET A 710 -1.293 -2.006 -29.278 1.00 0.00 S ATOM 962 CE MET A 710 -3.047 -2.342 -29.509 1.00 0.00 C ATOM 0 H MET A 710 -3.438 1.174 -27.004 1.00 0.00 H new ATOM 0 HA MET A 710 -0.973 2.295 -28.039 1.00 0.00 H new ATOM 0 HB2 MET A 710 -3.060 0.407 -29.235 1.00 0.00 H new ATOM 0 HB3 MET A 710 -1.552 0.830 -30.020 1.00 0.00 H new ATOM 0 HG2 MET A 710 -0.295 -0.177 -28.089 1.00 0.00 H new ATOM 0 HG3 MET A 710 -1.820 -0.652 -27.369 1.00 0.00 H new ATOM 0 HE1 MET A 710 -3.169 -3.251 -30.099 1.00 0.00 H new ATOM 0 HE2 MET A 710 -3.523 -2.473 -28.537 1.00 0.00 H new ATOM 0 HE3 MET A 710 -3.512 -1.506 -30.031 1.00 0.00 H new