USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 563 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 711 MET CE :methyl 157:sc= -3.01 (180deg=-1.35) USER MOD Set 1.2: A 714 MET CE :methyl 150:sc= -3.15 (180deg=-1.7) USER MOD Set 2.1: A 680 TYR OH : rot 30:sc= 0.0614 USER MOD Set 2.2: A 684 LYS NZ :NH3+ -112:sc= 0.0566 (180deg=0) USER MOD Single : A 652 CYS SG : rot -23:sc= 0.00646 USER MOD Single : A 653 GLN : amide:sc=-0.00234 K(o=-0.0023,f=-0.71) USER MOD Single : A 658 ASN :FLIP amide:sc= -1.35 F(o=-2.8!,f=-1.3) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ 162:sc= -0.0247 (180deg=-0.225) USER MOD Single : A 667 MET CE :methyl 163:sc= -1.72 (180deg=-2.47) USER MOD Single : A 669 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 673 ASN :FLIP amide:sc= -1.11 F(o=-2.9,f=-1.1) USER MOD Single : A 675 CYS SG : rot 160:sc= 0.0467 USER MOD Single : A 677 HIS : no HE2:sc= -3.25! X(o=-3.2!,f=-3) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -2.07 USER MOD Single : A 697 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 700 SER OG : rot 180:sc= 0 USER MOD Single : A 708 CYS SG : rot -171:sc= -1.52 USER MOD Single : A 710 MET CE :methyl 169:sc= 0 (180deg=-0.166) USER MOD Single : A 712 ASN : amide:sc= -2.77 K(o=-2.8,f=-3.9!) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot -58:sc= 0.00259 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.070 -3.103 7.375 1.00 0.00 N ATOM 77 CA CYS A 652 7.770 -3.723 7.604 1.00 0.00 C ATOM 78 C CYS A 652 6.787 -3.347 6.500 1.00 0.00 C ATOM 79 O CYS A 652 5.884 -4.116 6.172 1.00 0.00 O ATOM 80 CB CYS A 652 7.213 -3.302 8.964 1.00 0.00 C ATOM 81 SG CYS A 652 7.404 -1.540 9.327 1.00 0.00 S ATOM 0 HA CYS A 652 7.904 -4.805 7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.154 -3.558 9.006 1.00 0.00 H new ATOM 0 HB3 CYS A 652 7.712 -3.879 9.743 1.00 0.00 H new ATOM 0 HG CYS A 652 8.376 -1.053 8.614 1.00 0.00 H new ATOM 87 N GLN A 653 6.969 -2.159 5.932 1.00 0.00 N ATOM 88 CA GLN A 653 6.096 -1.681 4.866 1.00 0.00 C ATOM 89 C GLN A 653 6.570 -2.183 3.507 1.00 0.00 C ATOM 90 O GLN A 653 7.767 -2.375 3.289 1.00 0.00 O ATOM 91 CB GLN A 653 6.044 -0.152 4.869 1.00 0.00 C ATOM 92 CG GLN A 653 5.098 0.426 3.829 1.00 0.00 C ATOM 93 CD GLN A 653 4.929 1.927 3.964 1.00 0.00 C ATOM 94 OE1 GLN A 653 4.903 2.463 5.072 1.00 0.00 O ATOM 95 NE2 GLN A 653 4.813 2.614 2.833 1.00 0.00 N ATOM 0 H GLN A 653 7.712 -1.511 6.192 1.00 0.00 H new ATOM 0 HA GLN A 653 5.095 -2.072 5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.738 0.191 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.047 0.238 4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.474 0.195 2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.124 -0.055 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 653 4.840 2.129 1.936 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.697 3.627 2.861 1.00 0.00 H new ATOM 104 N ILE A 654 5.625 -2.395 2.597 1.00 0.00 N ATOM 105 CA ILE A 654 5.947 -2.875 1.259 1.00 0.00 C ATOM 106 C ILE A 654 5.198 -2.080 0.195 1.00 0.00 C ATOM 107 O ILE A 654 4.357 -1.238 0.511 1.00 0.00 O ATOM 108 CB ILE A 654 5.610 -4.369 1.101 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.114 -4.603 1.320 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.431 -5.203 2.073 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.616 -5.909 0.741 1.00 0.00 C ATOM 0 H ILE A 654 4.630 -2.242 2.762 1.00 0.00 H new ATOM 0 HA ILE A 654 7.020 -2.737 1.123 1.00 0.00 H new ATOM 0 HB ILE A 654 5.861 -4.678 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.904 -4.586 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.556 -3.780 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.181 -6.257 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.492 -5.055 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.208 -4.895 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.548 -6.008 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.794 -5.922 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.147 -6.739 1.206 1.00 0.00 H new ATOM 123 N PHE A 655 5.506 -2.355 -1.068 1.00 0.00 N ATOM 124 CA PHE A 655 4.861 -1.667 -2.180 1.00 0.00 C ATOM 125 C PHE A 655 4.251 -2.667 -3.158 1.00 0.00 C ATOM 126 O PHE A 655 4.659 -3.827 -3.212 1.00 0.00 O ATOM 127 CB PHE A 655 5.868 -0.774 -2.908 1.00 0.00 C ATOM 128 CG PHE A 655 5.229 0.342 -3.683 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.698 1.442 -3.029 1.00 0.00 C ATOM 130 CD2 PHE A 655 5.157 0.291 -5.066 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.109 2.472 -3.739 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.570 1.317 -5.782 1.00 0.00 C ATOM 133 CZ PHE A 655 4.044 2.408 -5.117 1.00 0.00 C ATOM 0 H PHE A 655 6.199 -3.050 -1.347 1.00 0.00 H new ATOM 0 HA PHE A 655 4.061 -1.046 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.559 -0.350 -2.179 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.459 -1.387 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.745 1.496 -1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.564 -0.561 -5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.701 3.325 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 655 4.522 1.266 -6.860 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.583 3.210 -5.674 1.00 0.00 H new ATOM 143 N VAL A 656 3.270 -2.208 -3.929 1.00 0.00 N ATOM 144 CA VAL A 656 2.603 -3.061 -4.906 1.00 0.00 C ATOM 145 C VAL A 656 2.248 -2.279 -6.166 1.00 0.00 C ATOM 146 O VAL A 656 2.018 -1.071 -6.115 1.00 0.00 O ATOM 147 CB VAL A 656 1.321 -3.685 -4.323 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.873 -4.869 -5.166 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.542 -4.102 -2.877 1.00 0.00 C ATOM 0 H VAL A 656 2.920 -1.251 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 656 3.302 -3.858 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 656 0.530 -2.935 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.034 -5.297 -4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.672 -4.536 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.659 -5.624 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.626 -4.541 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.346 -4.836 -2.829 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.812 -3.228 -2.284 1.00 0.00 H new ATOM 159 N ARG A 657 2.205 -2.977 -7.296 1.00 0.00 N ATOM 160 CA ARG A 657 1.878 -2.349 -8.570 1.00 0.00 C ATOM 161 C ARG A 657 1.115 -3.314 -9.472 1.00 0.00 C ATOM 162 O ARG A 657 1.122 -4.524 -9.251 1.00 0.00 O ATOM 163 CB ARG A 657 3.153 -1.877 -9.272 1.00 0.00 C ATOM 164 CG ARG A 657 3.907 -0.801 -8.508 1.00 0.00 C ATOM 165 CD ARG A 657 5.392 -0.824 -8.834 1.00 0.00 C ATOM 166 NE ARG A 657 5.714 0.027 -9.976 1.00 0.00 N ATOM 167 CZ ARG A 657 6.794 -0.137 -10.733 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.650 -1.114 -10.469 1.00 0.00 N ATOM 169 NH2 ARG A 657 7.019 0.678 -11.756 1.00 0.00 N ATOM 0 H ARG A 657 2.393 -3.978 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 657 1.242 -1.487 -8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.812 -2.732 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.894 -1.495 -10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 657 3.495 0.178 -8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 657 3.766 -0.947 -7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.959 -0.493 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 657 5.701 -1.848 -9.046 1.00 0.00 H new ATOM 0 HE ARG A 657 5.075 0.789 -10.205 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.481 -1.742 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 657 8.478 -1.238 -11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 657 6.363 1.431 -11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 657 7.848 0.551 -12.336 1.00 0.00 H new ATOM 183 N ASN A 658 0.456 -2.769 -10.490 1.00 0.00 N ATOM 184 CA ASN A 658 -0.313 -3.581 -11.426 1.00 0.00 C ATOM 185 C ASN A 658 -1.548 -4.167 -10.749 1.00 0.00 C ATOM 186 O ASN A 658 -2.003 -5.258 -11.098 1.00 0.00 O ATOM 187 CB ASN A 658 0.556 -4.707 -11.990 1.00 0.00 C ATOM 188 CG ASN A 658 0.144 -5.107 -13.393 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.189 -6.380 -13.572 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.125 -4.281 -14.306 1.00 0.00 N flip ATOM 0 H ASN A 658 0.439 -1.768 -10.687 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.639 -2.938 -12.244 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.599 -4.389 -11.997 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.492 -5.575 -11.334 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.389 -3.313 -14.123 1.00 0.00 H new ATOM 0 HD22 ASN A 658 -0.155 -4.565 -15.245 1.00 0.00 H new ATOM 197 N LEU A 659 -2.088 -3.436 -9.779 1.00 0.00 N ATOM 198 CA LEU A 659 -3.272 -3.883 -9.053 1.00 0.00 C ATOM 199 C LEU A 659 -4.542 -3.566 -9.835 1.00 0.00 C ATOM 200 O LEU A 659 -4.646 -2.541 -10.510 1.00 0.00 O ATOM 201 CB LEU A 659 -3.329 -3.220 -7.675 1.00 0.00 C ATOM 202 CG LEU A 659 -2.319 -3.727 -6.645 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.244 -2.777 -5.460 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.685 -5.130 -6.184 1.00 0.00 C ATOM 0 H LEU A 659 -1.725 -2.532 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.205 -4.964 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.180 -2.148 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.331 -3.356 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.337 -3.766 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.520 -3.154 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -1.934 -1.790 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.224 -2.705 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -1.955 -5.474 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.676 -5.117 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.686 -5.805 -7.040 1.00 0.00 H new ATOM 216 N PRO A 660 -5.534 -4.464 -9.743 1.00 0.00 N ATOM 217 CA PRO A 660 -6.817 -4.301 -10.433 1.00 0.00 C ATOM 218 C PRO A 660 -7.408 -2.909 -10.236 1.00 0.00 C ATOM 219 O PRO A 660 -7.174 -2.263 -9.215 1.00 0.00 O ATOM 220 CB PRO A 660 -7.709 -5.359 -9.778 1.00 0.00 C ATOM 221 CG PRO A 660 -6.764 -6.402 -9.291 1.00 0.00 C ATOM 222 CD PRO A 660 -5.479 -5.709 -8.957 1.00 0.00 C ATOM 0 HA PRO A 660 -6.717 -4.417 -11.512 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.288 -4.936 -8.958 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.422 -5.773 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.168 -6.909 -8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.604 -7.164 -10.054 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.401 -5.504 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.615 -6.316 -9.229 1.00 0.00 H new ATOM 230 N PHE A 661 -8.176 -2.453 -11.220 1.00 0.00 N ATOM 231 CA PHE A 661 -8.800 -1.137 -11.155 1.00 0.00 C ATOM 232 C PHE A 661 -9.926 -1.120 -10.126 1.00 0.00 C ATOM 233 O PHE A 661 -10.304 -0.063 -9.620 1.00 0.00 O ATOM 234 CB PHE A 661 -9.344 -0.739 -12.529 1.00 0.00 C ATOM 235 CG PHE A 661 -8.287 -0.228 -13.467 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.577 0.923 -13.170 1.00 0.00 C ATOM 237 CD2 PHE A 661 -8.005 -0.901 -14.645 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.605 1.395 -14.031 1.00 0.00 C ATOM 239 CE2 PHE A 661 -7.033 -0.434 -15.510 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.332 0.715 -15.202 1.00 0.00 C ATOM 0 H PHE A 661 -8.381 -2.975 -12.072 1.00 0.00 H new ATOM 0 HA PHE A 661 -8.041 -0.417 -10.850 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.833 -1.602 -12.981 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.107 0.029 -12.400 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -7.785 1.458 -12.255 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.551 -1.800 -14.890 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.059 2.295 -13.789 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -6.822 -0.967 -16.425 1.00 0.00 H new ATOM 0 HZ PHE A 661 -5.571 1.081 -15.876 1.00 0.00 H new ATOM 250 N ASP A 662 -10.459 -2.298 -9.821 1.00 0.00 N ATOM 251 CA ASP A 662 -11.542 -2.420 -8.852 1.00 0.00 C ATOM 252 C ASP A 662 -11.003 -2.826 -7.483 1.00 0.00 C ATOM 253 O ASP A 662 -11.769 -3.067 -6.550 1.00 0.00 O ATOM 254 CB ASP A 662 -12.572 -3.443 -9.332 1.00 0.00 C ATOM 255 CG ASP A 662 -13.776 -3.528 -8.414 1.00 0.00 C ATOM 256 OD1 ASP A 662 -14.583 -2.575 -8.404 1.00 0.00 O ATOM 257 OD2 ASP A 662 -13.911 -4.547 -7.706 1.00 0.00 O ATOM 0 H ASP A 662 -10.159 -3.182 -10.231 1.00 0.00 H new ATOM 0 HA ASP A 662 -12.024 -1.447 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -12.903 -3.177 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.101 -4.424 -9.400 1.00 0.00 H new ATOM 262 N PHE A 663 -9.681 -2.901 -7.372 1.00 0.00 N ATOM 263 CA PHE A 663 -9.040 -3.280 -6.119 1.00 0.00 C ATOM 264 C PHE A 663 -9.140 -2.154 -5.094 1.00 0.00 C ATOM 265 O PHE A 663 -8.628 -1.055 -5.310 1.00 0.00 O ATOM 266 CB PHE A 663 -7.571 -3.636 -6.360 1.00 0.00 C ATOM 267 CG PHE A 663 -7.042 -4.674 -5.411 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.607 -5.939 -5.363 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.981 -4.385 -4.569 1.00 0.00 C ATOM 270 CE1 PHE A 663 -7.123 -6.895 -4.490 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.492 -5.338 -3.695 1.00 0.00 C ATOM 272 CZ PHE A 663 -6.063 -6.595 -3.656 1.00 0.00 C ATOM 0 H PHE A 663 -9.033 -2.704 -8.135 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.559 -4.154 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.456 -3.997 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.967 -2.733 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -8.434 -6.180 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.530 -3.404 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -7.573 -7.876 -4.460 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.664 -5.100 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.682 -7.342 -2.975 1.00 0.00 H new ATOM 282 N THR A 664 -9.803 -2.435 -3.977 1.00 0.00 N ATOM 283 CA THR A 664 -9.973 -1.447 -2.919 1.00 0.00 C ATOM 284 C THR A 664 -8.982 -1.680 -1.785 1.00 0.00 C ATOM 285 O THR A 664 -8.304 -2.707 -1.742 1.00 0.00 O ATOM 286 CB THR A 664 -11.404 -1.474 -2.349 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.733 -2.798 -1.915 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.411 -1.012 -3.392 1.00 0.00 C ATOM 0 H THR A 664 -10.231 -3.340 -3.781 1.00 0.00 H new ATOM 0 HA THR A 664 -9.787 -0.470 -3.366 1.00 0.00 H new ATOM 0 HB THR A 664 -11.446 -0.792 -1.500 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.643 -2.807 -1.552 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.414 -1.040 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.175 0.007 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.366 -1.672 -4.258 1.00 0.00 H new ATOM 296 N TRP A 665 -8.903 -0.722 -0.868 1.00 0.00 N ATOM 297 CA TRP A 665 -7.994 -0.825 0.268 1.00 0.00 C ATOM 298 C TRP A 665 -8.274 -2.086 1.077 1.00 0.00 C ATOM 299 O TRP A 665 -7.367 -2.869 1.360 1.00 0.00 O ATOM 300 CB TRP A 665 -8.122 0.409 1.162 1.00 0.00 C ATOM 301 CG TRP A 665 -9.292 0.347 2.097 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.508 0.945 1.929 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.356 -0.352 3.345 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.324 0.661 2.997 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.641 -0.134 3.879 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.454 -1.143 4.062 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -11.042 -0.677 5.097 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.853 -1.681 5.270 1.00 0.00 C ATOM 309 CH2 TRP A 665 -10.138 -1.447 5.777 1.00 0.00 C ATOM 0 H TRP A 665 -9.457 0.134 -0.889 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.976 -0.882 -0.117 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.207 0.524 1.743 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.214 1.295 0.534 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.787 1.552 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.283 0.989 3.114 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.462 -1.330 3.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -12.031 -0.497 5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.163 -2.292 5.833 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.421 -1.883 6.724 1.00 0.00 H new ATOM 320 N LYS A 666 -9.536 -2.278 1.447 1.00 0.00 N ATOM 321 CA LYS A 666 -9.936 -3.446 2.224 1.00 0.00 C ATOM 322 C LYS A 666 -9.380 -4.725 1.608 1.00 0.00 C ATOM 323 O LYS A 666 -8.623 -5.455 2.247 1.00 0.00 O ATOM 324 CB LYS A 666 -11.462 -3.529 2.307 1.00 0.00 C ATOM 325 CG LYS A 666 -11.965 -4.769 3.025 1.00 0.00 C ATOM 326 CD LYS A 666 -12.044 -4.551 4.527 1.00 0.00 C ATOM 327 CE LYS A 666 -13.291 -3.770 4.912 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.528 -4.580 4.739 1.00 0.00 N ATOM 0 H LYS A 666 -10.299 -1.640 1.221 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.528 -3.341 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.838 -2.644 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.874 -3.511 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -12.950 -5.037 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.302 -5.608 2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -12.045 -5.515 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -11.158 -4.013 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -13.211 -3.447 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.358 -2.869 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -15.304 -4.149 5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.785 -4.610 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -14.361 -5.547 5.083 1.00 0.00 H new ATOM 342 N MET A 667 -9.760 -4.991 0.362 1.00 0.00 N ATOM 343 CA MET A 667 -9.296 -6.181 -0.341 1.00 0.00 C ATOM 344 C MET A 667 -7.776 -6.295 -0.273 1.00 0.00 C ATOM 345 O MET A 667 -7.235 -7.372 -0.019 1.00 0.00 O ATOM 346 CB MET A 667 -9.752 -6.148 -1.801 1.00 0.00 C ATOM 347 CG MET A 667 -11.161 -6.677 -2.010 1.00 0.00 C ATOM 348 SD MET A 667 -11.401 -7.388 -3.650 1.00 0.00 S ATOM 349 CE MET A 667 -11.076 -5.964 -4.686 1.00 0.00 C ATOM 0 H MET A 667 -10.388 -4.398 -0.181 1.00 0.00 H new ATOM 0 HA MET A 667 -9.730 -7.053 0.148 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.700 -5.122 -2.166 1.00 0.00 H new ATOM 0 HB3 MET A 667 -9.059 -6.736 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.376 -7.433 -1.255 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.875 -5.867 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.886 -6.293 -5.708 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.940 -5.300 -4.673 1.00 0.00 H new ATOM 0 HE3 MET A 667 -10.203 -5.431 -4.309 1.00 0.00 H new ATOM 359 N LEU A 668 -7.093 -5.179 -0.502 1.00 0.00 N ATOM 360 CA LEU A 668 -5.635 -5.154 -0.467 1.00 0.00 C ATOM 361 C LEU A 668 -5.114 -5.648 0.879 1.00 0.00 C ATOM 362 O LEU A 668 -4.170 -6.437 0.941 1.00 0.00 O ATOM 363 CB LEU A 668 -5.123 -3.738 -0.736 1.00 0.00 C ATOM 364 CG LEU A 668 -3.661 -3.472 -0.373 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.735 -4.056 -1.428 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.415 -1.979 -0.211 1.00 0.00 C ATOM 0 H LEU A 668 -7.525 -4.280 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 668 -5.266 -5.821 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.259 -3.519 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.747 -3.036 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.448 -3.960 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.699 -3.857 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.893 -5.132 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.949 -3.598 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.370 -1.808 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.646 -1.469 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -4.053 -1.589 0.582 1.00 0.00 H new ATOM 378 N LYS A 669 -5.736 -5.181 1.956 1.00 0.00 N ATOM 379 CA LYS A 669 -5.338 -5.577 3.302 1.00 0.00 C ATOM 380 C LYS A 669 -5.573 -7.068 3.522 1.00 0.00 C ATOM 381 O LYS A 669 -4.626 -7.841 3.660 1.00 0.00 O ATOM 382 CB LYS A 669 -6.114 -4.768 4.344 1.00 0.00 C ATOM 383 CG LYS A 669 -6.103 -5.391 5.729 1.00 0.00 C ATOM 384 CD LYS A 669 -6.966 -4.604 6.701 1.00 0.00 C ATOM 385 CE LYS A 669 -6.269 -3.332 7.161 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.986 -2.686 8.296 1.00 0.00 N ATOM 0 H LYS A 669 -6.518 -4.527 1.923 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.273 -5.375 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.690 -3.765 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.146 -4.659 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.464 -6.418 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -5.080 -5.434 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -7.913 -4.350 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.201 -5.225 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.248 -3.566 7.462 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.203 -2.632 6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.480 -1.823 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.952 -2.439 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -7.027 -3.344 9.100 1.00 0.00 H new ATOM 400 N ASP A 670 -6.841 -7.464 3.552 1.00 0.00 N ATOM 401 CA ASP A 670 -7.200 -8.863 3.753 1.00 0.00 C ATOM 402 C ASP A 670 -6.426 -9.765 2.797 1.00 0.00 C ATOM 403 O ASP A 670 -6.238 -10.952 3.062 1.00 0.00 O ATOM 404 CB ASP A 670 -8.704 -9.059 3.554 1.00 0.00 C ATOM 405 CG ASP A 670 -9.057 -10.485 3.180 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.701 -11.405 3.947 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.691 -10.681 2.123 1.00 0.00 O ATOM 0 H ASP A 670 -7.637 -6.836 3.440 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.938 -9.137 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.227 -8.787 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -9.055 -8.384 2.774 1.00 0.00 H new ATOM 412 N LYS A 671 -5.981 -9.194 1.683 1.00 0.00 N ATOM 413 CA LYS A 671 -5.226 -9.946 0.687 1.00 0.00 C ATOM 414 C LYS A 671 -3.841 -10.308 1.212 1.00 0.00 C ATOM 415 O LYS A 671 -3.347 -11.411 0.978 1.00 0.00 O ATOM 416 CB LYS A 671 -5.097 -9.133 -0.604 1.00 0.00 C ATOM 417 CG LYS A 671 -4.148 -9.749 -1.617 1.00 0.00 C ATOM 418 CD LYS A 671 -4.632 -11.114 -2.077 1.00 0.00 C ATOM 419 CE LYS A 671 -5.758 -10.994 -3.092 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.506 -12.273 -3.244 1.00 0.00 N ATOM 0 H LYS A 671 -6.130 -8.213 1.447 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.767 -10.868 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.082 -9.029 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.751 -8.129 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -4.053 -9.087 -2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.155 -9.843 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -3.802 -11.666 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -4.976 -11.688 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -6.445 -10.206 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -5.347 -10.697 -4.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -7.265 -12.150 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -5.856 -13.019 -3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -6.920 -12.544 -2.329 1.00 0.00 H new ATOM 434 N PHE A 672 -3.221 -9.374 1.925 1.00 0.00 N ATOM 435 CA PHE A 672 -1.892 -9.597 2.485 1.00 0.00 C ATOM 436 C PHE A 672 -1.985 -10.178 3.892 1.00 0.00 C ATOM 437 O PHE A 672 -0.980 -10.579 4.478 1.00 0.00 O ATOM 438 CB PHE A 672 -1.102 -8.287 2.513 1.00 0.00 C ATOM 439 CG PHE A 672 -0.410 -7.976 1.216 1.00 0.00 C ATOM 440 CD1 PHE A 672 -1.081 -7.317 0.198 1.00 0.00 C ATOM 441 CD2 PHE A 672 0.911 -8.342 1.015 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.447 -7.031 -0.996 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.550 -8.059 -0.177 1.00 0.00 C ATOM 444 CZ PHE A 672 0.871 -7.401 -1.183 1.00 0.00 C ATOM 0 H PHE A 672 -3.616 -8.456 2.129 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.372 -10.314 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.779 -7.469 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.359 -8.337 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.111 -7.024 0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.448 -8.855 1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.981 -6.519 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.579 -8.352 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.369 -7.176 -2.114 1.00 0.00 H new ATOM 454 N ASN A 673 -3.200 -10.219 4.430 1.00 0.00 N ATOM 455 CA ASN A 673 -3.425 -10.750 5.770 1.00 0.00 C ATOM 456 C ASN A 673 -2.971 -12.203 5.863 1.00 0.00 C ATOM 457 O ASN A 673 -2.607 -12.682 6.936 1.00 0.00 O ATOM 458 CB ASN A 673 -4.906 -10.641 6.141 1.00 0.00 C ATOM 459 CG ASN A 673 -5.237 -9.325 6.817 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.755 -8.228 6.245 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.920 -9.295 7.841 1.00 0.00 N flip ATOM 0 H ASN A 673 -4.043 -9.891 3.959 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.837 -10.159 6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.512 -10.747 5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -5.173 -11.464 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -6.270 -10.163 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -6.136 -8.402 8.284 1.00 0.00 H new ATOM 468 N GLU A 674 -2.996 -12.899 4.730 1.00 0.00 N ATOM 469 CA GLU A 674 -2.586 -14.297 4.684 1.00 0.00 C ATOM 470 C GLU A 674 -1.119 -14.448 5.075 1.00 0.00 C ATOM 471 O GLU A 674 -0.738 -15.414 5.738 1.00 0.00 O ATOM 472 CB GLU A 674 -2.814 -14.873 3.285 1.00 0.00 C ATOM 473 CG GLU A 674 -4.281 -14.994 2.908 1.00 0.00 C ATOM 474 CD GLU A 674 -4.510 -15.946 1.750 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.935 -17.054 1.770 1.00 0.00 O ATOM 476 OE2 GLU A 674 -5.264 -15.582 0.824 1.00 0.00 O ATOM 0 H GLU A 674 -3.296 -12.517 3.833 1.00 0.00 H new ATOM 0 HA GLU A 674 -3.193 -14.850 5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -2.311 -14.240 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -2.350 -15.858 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.847 -15.338 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.667 -14.009 2.645 1.00 0.00 H new ATOM 483 N CYS A 675 -0.301 -13.487 4.660 1.00 0.00 N ATOM 484 CA CYS A 675 1.125 -13.513 4.965 1.00 0.00 C ATOM 485 C CYS A 675 1.373 -13.182 6.433 1.00 0.00 C ATOM 486 O CYS A 675 2.210 -13.802 7.087 1.00 0.00 O ATOM 487 CB CYS A 675 1.877 -12.524 4.073 1.00 0.00 C ATOM 488 SG CYS A 675 1.271 -12.459 2.370 1.00 0.00 S ATOM 0 H CYS A 675 -0.601 -12.681 4.112 1.00 0.00 H new ATOM 0 HA CYS A 675 1.494 -14.520 4.771 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.805 -11.529 4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 675 2.933 -12.792 4.062 1.00 0.00 H new ATOM 0 HG CYS A 675 1.646 -11.343 1.818 1.00 0.00 H new ATOM 494 N GLY A 676 0.640 -12.197 6.945 1.00 0.00 N ATOM 495 CA GLY A 676 0.797 -11.799 8.331 1.00 0.00 C ATOM 496 C GLY A 676 -0.270 -10.818 8.777 1.00 0.00 C ATOM 497 O GLY A 676 -1.270 -10.622 8.086 1.00 0.00 O ATOM 0 H GLY A 676 -0.059 -11.668 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.761 -12.684 8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.780 -11.349 8.467 1.00 0.00 H new ATOM 501 N HIS A 677 -0.058 -10.202 9.935 1.00 0.00 N ATOM 502 CA HIS A 677 -1.010 -9.237 10.473 1.00 0.00 C ATOM 503 C HIS A 677 -0.790 -7.857 9.860 1.00 0.00 C ATOM 504 O HIS A 677 0.174 -7.166 10.192 1.00 0.00 O ATOM 505 CB HIS A 677 -0.884 -9.158 11.995 1.00 0.00 C ATOM 506 CG HIS A 677 -1.817 -8.169 12.622 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.609 -8.467 13.711 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.082 -6.879 12.310 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.322 -7.405 14.039 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.020 -6.426 13.205 1.00 0.00 N ATOM 0 H HIS A 677 0.764 -10.354 10.519 1.00 0.00 H new ATOM 0 HA HIS A 677 -2.015 -9.573 10.216 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.074 -10.144 12.419 1.00 0.00 H new ATOM 0 HB3 HIS A 677 0.141 -8.892 12.253 1.00 0.00 H new ATOM 0 HD1 HIS A 677 -2.639 -9.368 14.189 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -1.638 -6.311 11.506 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.032 -7.347 14.851 1.00 0.00 H new ATOM 519 N VAL A 678 -1.689 -7.462 8.964 1.00 0.00 N ATOM 520 CA VAL A 678 -1.593 -6.165 8.305 1.00 0.00 C ATOM 521 C VAL A 678 -2.224 -5.069 9.156 1.00 0.00 C ATOM 522 O VAL A 678 -3.226 -5.294 9.836 1.00 0.00 O ATOM 523 CB VAL A 678 -2.275 -6.185 6.924 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.305 -4.789 6.323 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.568 -7.160 5.995 1.00 0.00 C ATOM 0 H VAL A 678 -2.492 -8.022 8.678 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.532 -5.954 8.174 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.304 -6.521 7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.790 -4.823 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.860 -4.121 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.286 -4.420 6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.063 -7.161 5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.528 -6.856 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.605 -8.162 6.423 1.00 0.00 H new ATOM 535 N LEU A 679 -1.632 -3.880 9.113 1.00 0.00 N ATOM 536 CA LEU A 679 -2.137 -2.746 9.879 1.00 0.00 C ATOM 537 C LEU A 679 -2.538 -1.600 8.956 1.00 0.00 C ATOM 538 O LEU A 679 -3.700 -1.194 8.924 1.00 0.00 O ATOM 539 CB LEU A 679 -1.079 -2.267 10.875 1.00 0.00 C ATOM 540 CG LEU A 679 -0.474 -3.341 11.780 1.00 0.00 C ATOM 541 CD1 LEU A 679 0.822 -2.846 12.404 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.466 -3.749 12.860 1.00 0.00 C ATOM 0 H LEU A 679 -0.802 -3.677 8.556 1.00 0.00 H new ATOM 0 HA LEU A 679 -3.021 -3.074 10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.271 -1.793 10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.524 -1.498 11.506 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.249 -4.217 11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.238 -3.624 13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.536 -2.604 11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.622 -1.955 12.999 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -1.019 -4.514 13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.723 -2.880 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.368 -4.146 12.394 1.00 0.00 H new ATOM 554 N TYR A 680 -1.571 -1.085 8.207 1.00 0.00 N ATOM 555 CA TYR A 680 -1.823 0.015 7.283 1.00 0.00 C ATOM 556 C TYR A 680 -1.981 -0.499 5.855 1.00 0.00 C ATOM 557 O TYR A 680 -1.109 -1.193 5.333 1.00 0.00 O ATOM 558 CB TYR A 680 -0.685 1.034 7.347 1.00 0.00 C ATOM 559 CG TYR A 680 -0.673 2.002 6.186 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.842 2.617 5.755 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.509 2.303 5.519 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.836 3.501 4.694 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.525 3.188 4.458 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.650 3.784 4.049 1.00 0.00 C ATOM 565 OH TYR A 680 -0.639 4.665 2.992 1.00 0.00 O ATOM 0 H TYR A 680 -0.605 -1.411 8.221 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.753 0.500 7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.764 1.596 8.277 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.266 0.502 7.376 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.772 2.400 6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.431 1.837 5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.755 3.968 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.452 3.412 3.952 1.00 0.00 H new ATOM 0 HH TYR A 680 -1.351 5.328 3.111 1.00 0.00 H new ATOM 575 N ALA A 681 -3.100 -0.151 5.228 1.00 0.00 N ATOM 576 CA ALA A 681 -3.372 -0.574 3.860 1.00 0.00 C ATOM 577 C ALA A 681 -4.217 0.461 3.124 1.00 0.00 C ATOM 578 O ALA A 681 -5.319 0.798 3.556 1.00 0.00 O ATOM 579 CB ALA A 681 -4.069 -1.927 3.854 1.00 0.00 C ATOM 0 H ALA A 681 -3.833 0.423 5.646 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.419 -0.666 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.266 -2.230 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.430 -2.668 4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -5.011 -1.853 4.397 1.00 0.00 H new ATOM 585 N ASP A 682 -3.692 0.961 2.010 1.00 0.00 N ATOM 586 CA ASP A 682 -4.398 1.958 1.213 1.00 0.00 C ATOM 587 C ASP A 682 -4.010 1.850 -0.258 1.00 0.00 C ATOM 588 O ASP A 682 -2.950 1.322 -0.594 1.00 0.00 O ATOM 589 CB ASP A 682 -4.095 3.364 1.732 1.00 0.00 C ATOM 590 CG ASP A 682 -5.195 4.353 1.398 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.358 4.094 1.768 1.00 0.00 O ATOM 592 OD2 ASP A 682 -4.891 5.387 0.765 1.00 0.00 O ATOM 0 H ASP A 682 -2.781 0.692 1.639 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.468 1.769 1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -3.959 3.328 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.155 3.712 1.304 1.00 0.00 H new ATOM 597 N ILE A 683 -4.877 2.354 -1.131 1.00 0.00 N ATOM 598 CA ILE A 683 -4.625 2.314 -2.566 1.00 0.00 C ATOM 599 C ILE A 683 -4.213 3.686 -3.090 1.00 0.00 C ATOM 600 O ILE A 683 -5.044 4.583 -3.235 1.00 0.00 O ATOM 601 CB ILE A 683 -5.864 1.831 -3.342 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.268 0.430 -2.880 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.589 1.843 -4.839 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.263 -0.640 -3.245 1.00 0.00 C ATOM 0 H ILE A 683 -5.759 2.794 -0.869 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.810 1.608 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.690 2.512 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.402 0.437 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.233 0.176 -3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.474 1.499 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.344 2.857 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.751 1.182 -5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.615 -1.607 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.146 -0.675 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.303 -0.410 -2.784 1.00 0.00 H new ATOM 616 N LYS A 684 -2.925 3.842 -3.375 1.00 0.00 N ATOM 617 CA LYS A 684 -2.401 5.104 -3.886 1.00 0.00 C ATOM 618 C LYS A 684 -3.099 5.495 -5.185 1.00 0.00 C ATOM 619 O LYS A 684 -3.262 4.672 -6.085 1.00 0.00 O ATOM 620 CB LYS A 684 -0.892 4.997 -4.117 1.00 0.00 C ATOM 621 CG LYS A 684 -0.106 4.676 -2.858 1.00 0.00 C ATOM 622 CD LYS A 684 -0.231 5.783 -1.825 1.00 0.00 C ATOM 623 CE LYS A 684 0.510 5.435 -0.543 1.00 0.00 C ATOM 624 NZ LYS A 684 0.382 6.509 0.481 1.00 0.00 N ATOM 0 H LYS A 684 -2.224 3.110 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.594 5.878 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.701 4.224 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.529 5.937 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.465 3.739 -2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.944 4.530 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.166 6.712 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -1.284 5.957 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.119 4.501 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 684 1.564 5.270 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 1.307 6.962 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 -0.304 7.220 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 0.053 6.097 1.377 1.00 0.00 H new ATOM 724 N LYS A 691 -4.049 3.876 -9.796 1.00 0.00 N ATOM 725 CA LYS A 691 -2.764 3.594 -10.424 1.00 0.00 C ATOM 726 C LYS A 691 -2.321 2.163 -10.139 1.00 0.00 C ATOM 727 O LYS A 691 -1.148 1.824 -10.288 1.00 0.00 O ATOM 728 CB LYS A 691 -1.702 4.577 -9.924 1.00 0.00 C ATOM 729 CG LYS A 691 -2.007 6.026 -10.262 1.00 0.00 C ATOM 730 CD LYS A 691 -1.681 6.341 -11.712 1.00 0.00 C ATOM 731 CE LYS A 691 -0.194 6.592 -11.907 1.00 0.00 C ATOM 732 NZ LYS A 691 0.092 7.237 -13.218 1.00 0.00 N ATOM 0 HA LYS A 691 -2.881 3.711 -11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -1.607 4.477 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.738 4.307 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -3.061 6.231 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.432 6.682 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 691 -1.997 5.512 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -2.244 7.218 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 691 0.176 7.227 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 691 0.345 5.647 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 1.116 7.391 -13.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -0.238 6.620 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 -0.402 8.151 -13.271 1.00 0.00 H new ATOM 746 N GLY A 692 -3.269 1.325 -9.729 1.00 0.00 N ATOM 747 CA GLY A 692 -2.957 -0.060 -9.431 1.00 0.00 C ATOM 748 C GLY A 692 -1.702 -0.204 -8.592 1.00 0.00 C ATOM 749 O GLY A 692 -0.911 -1.125 -8.800 1.00 0.00 O ATOM 0 H GLY A 692 -4.248 1.581 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.797 -0.513 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.832 -0.610 -10.364 1.00 0.00 H new ATOM 753 N CYS A 693 -1.518 0.708 -7.644 1.00 0.00 N ATOM 754 CA CYS A 693 -0.349 0.679 -6.773 1.00 0.00 C ATOM 755 C CYS A 693 -0.732 1.022 -5.337 1.00 0.00 C ATOM 756 O CYS A 693 -1.414 2.015 -5.086 1.00 0.00 O ATOM 757 CB CYS A 693 0.713 1.658 -7.277 1.00 0.00 C ATOM 758 SG CYS A 693 0.222 3.395 -7.179 1.00 0.00 S ATOM 0 H CYS A 693 -2.163 1.476 -7.459 1.00 0.00 H new ATOM 0 HA CYS A 693 0.060 -0.331 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.626 1.516 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.952 1.417 -8.313 1.00 0.00 H new ATOM 0 HG CYS A 693 1.186 4.144 -7.625 1.00 0.00 H new ATOM 764 N GLY A 694 -0.290 0.192 -4.397 1.00 0.00 N ATOM 765 CA GLY A 694 -0.598 0.423 -2.998 1.00 0.00 C ATOM 766 C GLY A 694 0.506 -0.052 -2.075 1.00 0.00 C ATOM 767 O GLY A 694 1.568 -0.476 -2.532 1.00 0.00 O ATOM 0 H GLY A 694 0.276 -0.637 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.768 1.488 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.526 -0.090 -2.744 1.00 0.00 H new ATOM 771 N VAL A 695 0.258 0.022 -0.771 1.00 0.00 N ATOM 772 CA VAL A 695 1.240 -0.403 0.219 1.00 0.00 C ATOM 773 C VAL A 695 0.597 -1.275 1.292 1.00 0.00 C ATOM 774 O VAL A 695 -0.626 -1.305 1.432 1.00 0.00 O ATOM 775 CB VAL A 695 1.917 0.805 0.893 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.845 1.511 -0.085 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.871 1.767 1.436 1.00 0.00 C ATOM 0 H VAL A 695 -0.615 0.372 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 695 1.994 -0.983 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 695 2.515 0.444 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.315 2.362 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.615 0.817 -0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.271 1.861 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.367 2.615 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.245 2.123 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.251 1.253 2.171 1.00 0.00 H new ATOM 787 N VAL A 696 1.429 -1.982 2.050 1.00 0.00 N ATOM 788 CA VAL A 696 0.942 -2.853 3.113 1.00 0.00 C ATOM 789 C VAL A 696 1.945 -2.936 4.258 1.00 0.00 C ATOM 790 O VAL A 696 3.049 -3.456 4.096 1.00 0.00 O ATOM 791 CB VAL A 696 0.660 -4.274 2.589 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.144 -5.164 3.709 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.329 -4.228 1.434 1.00 0.00 C ATOM 0 H VAL A 696 2.444 -1.969 1.948 1.00 0.00 H new ATOM 0 HA VAL A 696 0.012 -2.417 3.479 1.00 0.00 H new ATOM 0 HB VAL A 696 1.594 -4.699 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 696 -0.050 -6.164 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 696 0.890 -5.221 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.779 -4.746 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.517 -5.240 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.265 -3.783 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.085 -3.627 0.624 1.00 0.00 H new ATOM 803 N LYS A 697 1.554 -2.419 5.418 1.00 0.00 N ATOM 804 CA LYS A 697 2.416 -2.436 6.593 1.00 0.00 C ATOM 805 C LYS A 697 2.125 -3.653 7.466 1.00 0.00 C ATOM 806 O LYS A 697 0.984 -4.106 7.555 1.00 0.00 O ATOM 807 CB LYS A 697 2.227 -1.154 7.408 1.00 0.00 C ATOM 808 CG LYS A 697 3.434 -0.787 8.254 1.00 0.00 C ATOM 809 CD LYS A 697 3.049 0.121 9.410 1.00 0.00 C ATOM 810 CE LYS A 697 4.152 0.190 10.455 1.00 0.00 C ATOM 811 NZ LYS A 697 3.650 0.704 11.759 1.00 0.00 N ATOM 0 H LYS A 697 0.645 -1.983 5.569 1.00 0.00 H new ATOM 0 HA LYS A 697 3.450 -2.495 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.006 -0.331 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.360 -1.271 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 697 3.897 -1.694 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.178 -0.290 7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 697 2.840 1.122 9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.131 -0.244 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 697 4.581 -0.802 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 697 4.954 0.835 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 4.432 0.736 12.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.264 1.661 11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 2.903 0.075 12.116 1.00 0.00 H new ATOM 825 N PHE A 698 3.164 -4.177 8.108 1.00 0.00 N ATOM 826 CA PHE A 698 3.019 -5.341 8.973 1.00 0.00 C ATOM 827 C PHE A 698 3.497 -5.030 10.389 1.00 0.00 C ATOM 828 O PHE A 698 4.165 -4.023 10.621 1.00 0.00 O ATOM 829 CB PHE A 698 3.805 -6.526 8.406 1.00 0.00 C ATOM 830 CG PHE A 698 3.240 -7.059 7.121 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.618 -6.513 5.904 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.332 -8.105 7.128 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.101 -7.002 4.719 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.812 -8.598 5.947 1.00 0.00 C ATOM 835 CZ PHE A 698 2.196 -8.045 4.740 1.00 0.00 C ATOM 0 H PHE A 698 4.115 -3.814 8.045 1.00 0.00 H new ATOM 0 HA PHE A 698 1.961 -5.602 9.014 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.838 -6.221 8.241 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.824 -7.327 9.145 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.324 -5.696 5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 698 2.027 -8.540 8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.405 -6.569 3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 698 1.106 -9.415 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.789 -8.428 3.816 1.00 0.00 H new ATOM 845 N GLU A 699 3.149 -5.902 11.330 1.00 0.00 N ATOM 846 CA GLU A 699 3.542 -5.719 12.722 1.00 0.00 C ATOM 847 C GLU A 699 5.050 -5.886 12.889 1.00 0.00 C ATOM 848 O GLU A 699 5.692 -5.127 13.614 1.00 0.00 O ATOM 849 CB GLU A 699 2.805 -6.717 13.618 1.00 0.00 C ATOM 850 CG GLU A 699 1.293 -6.574 13.575 1.00 0.00 C ATOM 851 CD GLU A 699 0.606 -7.297 14.716 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.434 -8.530 14.619 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.239 -6.630 15.706 1.00 0.00 O ATOM 0 H GLU A 699 2.596 -6.741 11.154 1.00 0.00 H new ATOM 0 HA GLU A 699 3.271 -4.706 13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.074 -7.730 13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.144 -6.589 14.646 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.031 -5.517 13.610 1.00 0.00 H new ATOM 0 HG3 GLU A 699 0.922 -6.964 12.627 1.00 0.00 H new ATOM 860 N SER A 700 5.607 -6.885 12.212 1.00 0.00 N ATOM 861 CA SER A 700 7.038 -7.155 12.288 1.00 0.00 C ATOM 862 C SER A 700 7.701 -6.956 10.928 1.00 0.00 C ATOM 863 O SER A 700 7.079 -7.109 9.877 1.00 0.00 O ATOM 864 CB SER A 700 7.284 -8.581 12.784 1.00 0.00 C ATOM 865 OG SER A 700 7.095 -8.673 14.186 1.00 0.00 O ATOM 0 H SER A 700 5.089 -7.521 11.605 1.00 0.00 H new ATOM 0 HA SER A 700 7.478 -6.451 12.994 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.607 -9.268 12.277 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.298 -8.888 12.530 1.00 0.00 H new ATOM 0 HG SER A 700 7.256 -9.594 14.478 1.00 0.00 H new ATOM 871 N PRO A 701 8.996 -6.606 10.948 1.00 0.00 N ATOM 872 CA PRO A 701 9.773 -6.379 9.726 1.00 0.00 C ATOM 873 C PRO A 701 10.032 -7.669 8.956 1.00 0.00 C ATOM 874 O PRO A 701 9.980 -7.689 7.726 1.00 0.00 O ATOM 875 CB PRO A 701 11.088 -5.793 10.246 1.00 0.00 C ATOM 876 CG PRO A 701 11.206 -6.305 11.640 1.00 0.00 C ATOM 877 CD PRO A 701 9.801 -6.406 12.165 1.00 0.00 C ATOM 0 HA PRO A 701 9.249 -5.730 9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.932 -6.111 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.072 -4.703 10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.700 -7.276 11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.804 -5.632 12.254 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.691 -7.238 12.861 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.505 -5.503 12.698 1.00 0.00 H new ATOM 885 N GLU A 702 10.312 -8.743 9.686 1.00 0.00 N ATOM 886 CA GLU A 702 10.579 -10.037 9.070 1.00 0.00 C ATOM 887 C GLU A 702 9.448 -10.435 8.126 1.00 0.00 C ATOM 888 O GLU A 702 9.687 -10.848 6.991 1.00 0.00 O ATOM 889 CB GLU A 702 10.762 -11.111 10.144 1.00 0.00 C ATOM 890 CG GLU A 702 9.574 -11.243 11.082 1.00 0.00 C ATOM 891 CD GLU A 702 9.835 -12.207 12.223 1.00 0.00 C ATOM 892 OE1 GLU A 702 9.577 -13.416 12.048 1.00 0.00 O ATOM 893 OE2 GLU A 702 10.297 -11.752 13.290 1.00 0.00 O ATOM 0 H GLU A 702 10.360 -8.743 10.705 1.00 0.00 H new ATOM 0 HA GLU A 702 11.499 -9.951 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 702 10.940 -12.071 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.652 -10.880 10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.327 -10.263 11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.706 -11.582 10.517 1.00 0.00 H new ATOM 900 N VAL A 703 8.214 -10.307 8.604 1.00 0.00 N ATOM 901 CA VAL A 703 7.045 -10.652 7.804 1.00 0.00 C ATOM 902 C VAL A 703 7.102 -9.987 6.433 1.00 0.00 C ATOM 903 O VAL A 703 7.019 -10.657 5.404 1.00 0.00 O ATOM 904 CB VAL A 703 5.740 -10.237 8.509 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.545 -10.457 7.594 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.572 -11.005 9.812 1.00 0.00 C ATOM 0 H VAL A 703 7.998 -9.967 9.541 1.00 0.00 H new ATOM 0 HA VAL A 703 7.054 -11.735 7.681 1.00 0.00 H new ATOM 0 HB VAL A 703 5.796 -9.174 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.632 -10.158 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.664 -9.859 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.481 -11.512 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.645 -10.700 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.537 -12.074 9.602 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.414 -10.792 10.471 1.00 0.00 H new ATOM 916 N ALA A 704 7.244 -8.666 6.427 1.00 0.00 N ATOM 917 CA ALA A 704 7.315 -7.911 5.183 1.00 0.00 C ATOM 918 C ALA A 704 8.175 -8.632 4.151 1.00 0.00 C ATOM 919 O ALA A 704 7.678 -9.074 3.116 1.00 0.00 O ATOM 920 CB ALA A 704 7.859 -6.514 5.443 1.00 0.00 C ATOM 0 H ALA A 704 7.312 -8.096 7.270 1.00 0.00 H new ATOM 0 HA ALA A 704 6.305 -7.827 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.906 -5.962 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 704 7.203 -5.992 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.858 -6.587 5.872 1.00 0.00 H new ATOM 926 N GLU A 705 9.468 -8.746 4.440 1.00 0.00 N ATOM 927 CA GLU A 705 10.396 -9.413 3.535 1.00 0.00 C ATOM 928 C GLU A 705 9.784 -10.692 2.972 1.00 0.00 C ATOM 929 O GLU A 705 9.979 -11.024 1.803 1.00 0.00 O ATOM 930 CB GLU A 705 11.705 -9.737 4.260 1.00 0.00 C ATOM 931 CG GLU A 705 12.603 -8.528 4.463 1.00 0.00 C ATOM 932 CD GLU A 705 13.987 -8.906 4.955 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.454 -10.014 4.616 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.602 -8.096 5.679 1.00 0.00 O ATOM 0 H GLU A 705 9.896 -8.385 5.293 1.00 0.00 H new ATOM 0 HA GLU A 705 10.605 -8.736 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.474 -10.175 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 705 12.249 -10.492 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.692 -7.984 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.139 -7.851 5.180 1.00 0.00 H new ATOM 941 N ARG A 706 9.042 -11.406 3.813 1.00 0.00 N ATOM 942 CA ARG A 706 8.402 -12.649 3.400 1.00 0.00 C ATOM 943 C ARG A 706 7.204 -12.370 2.498 1.00 0.00 C ATOM 944 O ARG A 706 7.209 -12.718 1.318 1.00 0.00 O ATOM 945 CB ARG A 706 7.957 -13.449 4.626 1.00 0.00 C ATOM 946 CG ARG A 706 7.298 -14.775 4.281 1.00 0.00 C ATOM 947 CD ARG A 706 6.334 -15.218 5.371 1.00 0.00 C ATOM 948 NE ARG A 706 6.181 -16.669 5.409 1.00 0.00 N ATOM 949 CZ ARG A 706 5.392 -17.303 6.270 1.00 0.00 C ATOM 950 NH1 ARG A 706 4.689 -16.616 7.159 1.00 0.00 N ATOM 951 NH2 ARG A 706 5.306 -18.627 6.242 1.00 0.00 N ATOM 0 H ARG A 706 8.870 -11.145 4.784 1.00 0.00 H new ATOM 0 HA ARG A 706 9.129 -13.234 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.823 -13.637 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 706 7.260 -12.847 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.763 -14.682 3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.064 -15.537 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 706 6.693 -14.866 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 706 5.361 -14.755 5.205 1.00 0.00 H new ATOM 0 HE ARG A 706 6.709 -17.227 4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 706 4.753 -15.598 7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 706 4.084 -17.105 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 706 5.846 -19.159 5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 706 4.700 -19.113 6.903 1.00 0.00 H new ATOM 965 N ALA A 707 6.178 -11.742 3.063 1.00 0.00 N ATOM 966 CA ALA A 707 4.973 -11.415 2.310 1.00 0.00 C ATOM 967 C ALA A 707 5.313 -11.014 0.879 1.00 0.00 C ATOM 968 O ALA A 707 4.797 -11.594 -0.077 1.00 0.00 O ATOM 969 CB ALA A 707 4.203 -10.302 3.004 1.00 0.00 C ATOM 0 H ALA A 707 6.157 -11.449 4.040 1.00 0.00 H new ATOM 0 HA ALA A 707 4.345 -12.305 2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.306 -10.068 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.920 -10.625 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.831 -9.414 3.074 1.00 0.00 H new ATOM 975 N CYS A 708 6.182 -10.020 0.738 1.00 0.00 N ATOM 976 CA CYS A 708 6.589 -9.540 -0.577 1.00 0.00 C ATOM 977 C CYS A 708 6.905 -10.707 -1.508 1.00 0.00 C ATOM 978 O CYS A 708 6.397 -10.776 -2.627 1.00 0.00 O ATOM 979 CB CYS A 708 7.808 -8.625 -0.455 1.00 0.00 C ATOM 980 SG CYS A 708 8.789 -8.496 -1.968 1.00 0.00 S ATOM 0 H CYS A 708 6.619 -9.530 1.519 1.00 0.00 H new ATOM 0 HA CYS A 708 5.760 -8.974 -1.002 1.00 0.00 H new ATOM 0 HB2 CYS A 708 7.473 -7.629 -0.166 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.446 -8.993 0.349 1.00 0.00 H new ATOM 0 HG CYS A 708 9.893 -7.858 -1.716 1.00 0.00 H new ATOM 986 N ARG A 709 7.748 -11.620 -1.038 1.00 0.00 N ATOM 987 CA ARG A 709 8.134 -12.782 -1.828 1.00 0.00 C ATOM 988 C ARG A 709 6.944 -13.711 -2.047 1.00 0.00 C ATOM 989 O ARG A 709 6.820 -14.342 -3.096 1.00 0.00 O ATOM 990 CB ARG A 709 9.268 -13.542 -1.137 1.00 0.00 C ATOM 991 CG ARG A 709 10.654 -13.066 -1.539 1.00 0.00 C ATOM 992 CD ARG A 709 11.646 -13.212 -0.396 1.00 0.00 C ATOM 993 NE ARG A 709 12.322 -14.507 -0.419 1.00 0.00 N ATOM 994 CZ ARG A 709 13.141 -14.926 0.539 1.00 0.00 C ATOM 995 NH1 ARG A 709 13.384 -14.156 1.591 1.00 0.00 N ATOM 996 NH2 ARG A 709 13.718 -16.117 0.447 1.00 0.00 N ATOM 0 H ARG A 709 8.177 -11.577 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 709 8.481 -12.430 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.157 -13.440 -0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 709 9.176 -14.603 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 709 11.001 -13.639 -2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.606 -12.022 -1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 709 12.387 -12.415 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.125 -13.092 0.554 1.00 0.00 H new ATOM 0 HE ARG A 709 12.156 -15.123 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 709 12.942 -13.240 1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 709 14.013 -14.480 2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 709 13.533 -16.712 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 709 14.347 -16.437 1.184 1.00 0.00 H new ATOM 1010 N MET A 710 6.070 -13.790 -1.048 1.00 0.00 N ATOM 1011 CA MET A 710 4.889 -14.641 -1.132 1.00 0.00 C ATOM 1012 C MET A 710 3.852 -14.041 -2.076 1.00 0.00 C ATOM 1013 O MET A 710 2.990 -14.749 -2.595 1.00 0.00 O ATOM 1014 CB MET A 710 4.278 -14.840 0.257 1.00 0.00 C ATOM 1015 CG MET A 710 4.952 -15.936 1.066 1.00 0.00 C ATOM 1016 SD MET A 710 4.338 -16.025 2.760 1.00 0.00 S ATOM 1017 CE MET A 710 2.676 -16.632 2.486 1.00 0.00 C ATOM 0 H MET A 710 6.158 -13.275 -0.172 1.00 0.00 H new ATOM 0 HA MET A 710 5.197 -15.609 -1.528 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.339 -13.902 0.809 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.220 -15.078 0.149 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.792 -16.896 0.575 1.00 0.00 H new ATOM 0 HG3 MET A 710 6.028 -15.761 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 710 2.234 -16.925 3.438 1.00 0.00 H new ATOM 0 HE2 MET A 710 2.072 -15.847 2.032 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.709 -17.495 1.821 1.00 0.00 H new ATOM 1027 N MET A 711 3.943 -12.733 -2.293 1.00 0.00 N ATOM 1028 CA MET A 711 3.012 -12.039 -3.176 1.00 0.00 C ATOM 1029 C MET A 711 3.702 -11.618 -4.469 1.00 0.00 C ATOM 1030 O MET A 711 3.044 -11.265 -5.447 1.00 0.00 O ATOM 1031 CB MET A 711 2.428 -10.812 -2.472 1.00 0.00 C ATOM 1032 CG MET A 711 1.593 -11.154 -1.249 1.00 0.00 C ATOM 1033 SD MET A 711 0.362 -12.428 -1.581 1.00 0.00 S ATOM 1034 CE MET A 711 -1.142 -11.581 -1.102 1.00 0.00 C ATOM 0 H MET A 711 4.651 -12.133 -1.870 1.00 0.00 H new ATOM 0 HA MET A 711 2.203 -12.726 -3.424 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.243 -10.153 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.812 -10.257 -3.179 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.251 -11.490 -0.448 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.092 -10.254 -0.893 1.00 0.00 H new ATOM 0 HE1 MET A 711 -1.993 -12.038 -1.606 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.275 -11.658 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A 711 -1.074 -10.531 -1.386 1.00 0.00 H new ATOM 1044 N ASN A 712 5.030 -11.656 -4.466 1.00 0.00 N ATOM 1045 CA ASN A 712 5.808 -11.277 -5.640 1.00 0.00 C ATOM 1046 C ASN A 712 5.298 -11.994 -6.886 1.00 0.00 C ATOM 1047 O ASN A 712 5.276 -13.223 -6.943 1.00 0.00 O ATOM 1048 CB ASN A 712 7.288 -11.600 -5.423 1.00 0.00 C ATOM 1049 CG ASN A 712 7.648 -12.999 -5.883 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.027 -13.979 -5.472 1.00 0.00 O ATOM 1051 ND2 ASN A 712 8.657 -13.098 -6.741 1.00 0.00 N ATOM 0 H ASN A 712 5.590 -11.945 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 712 5.695 -10.203 -5.788 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.898 -10.875 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.529 -11.495 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 712 8.945 -14.014 -7.086 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.144 -12.258 -7.055 1.00 0.00 H new ATOM 1058 N GLY A 713 4.888 -11.217 -7.884 1.00 0.00 N ATOM 1059 CA GLY A 713 4.384 -11.795 -9.116 1.00 0.00 C ATOM 1060 C GLY A 713 3.033 -12.459 -8.934 1.00 0.00 C ATOM 1061 O GLY A 713 2.684 -13.380 -9.671 1.00 0.00 O ATOM 0 H GLY A 713 4.896 -10.197 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.303 -11.015 -9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 713 5.099 -12.529 -9.489 1.00 0.00 H new ATOM 1065 N MET A 714 2.274 -11.993 -7.948 1.00 0.00 N ATOM 1066 CA MET A 714 0.954 -12.549 -7.672 1.00 0.00 C ATOM 1067 C MET A 714 -0.028 -12.197 -8.785 1.00 0.00 C ATOM 1068 O MET A 714 -0.513 -11.068 -8.864 1.00 0.00 O ATOM 1069 CB MET A 714 0.430 -12.033 -6.331 1.00 0.00 C ATOM 1070 CG MET A 714 -1.031 -12.369 -6.079 1.00 0.00 C ATOM 1071 SD MET A 714 -1.461 -12.329 -4.329 1.00 0.00 S ATOM 1072 CE MET A 714 -1.677 -10.570 -4.073 1.00 0.00 C ATOM 0 H MET A 714 2.550 -11.232 -7.327 1.00 0.00 H new ATOM 0 HA MET A 714 1.047 -13.634 -7.624 1.00 0.00 H new ATOM 0 HB2 MET A 714 1.035 -12.454 -5.528 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.557 -10.951 -6.293 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.661 -11.663 -6.620 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.246 -13.360 -6.479 1.00 0.00 H new ATOM 0 HE1 MET A 714 -2.414 -10.404 -3.287 1.00 0.00 H new ATOM 0 HE2 MET A 714 -0.726 -10.126 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 714 -2.023 -10.108 -4.997 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.317 -13.170 -9.643 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.242 -12.964 -10.750 1.00 0.00 C ATOM 1084 C LYS A 715 -2.623 -12.565 -10.239 1.00 0.00 C ATOM 1085 O LYS A 715 -3.398 -13.410 -9.790 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.347 -14.234 -11.597 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.362 -14.279 -12.752 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.911 -13.573 -13.981 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.354 -14.172 -15.263 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.693 -13.345 -16.454 1.00 0.00 N ATOM 0 H LYS A 715 0.077 -14.110 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.855 -12.154 -11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.184 -15.101 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.360 -14.315 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.575 -13.811 -12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.135 -15.316 -12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -1.999 -13.644 -13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.661 -12.513 -13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 715 0.729 -14.263 -15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -0.750 -15.179 -15.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.296 -13.787 -17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -1.727 -13.278 -16.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -0.294 -12.392 -16.340 1.00 0.00 H new ATOM 1104 N LEU A 716 -2.925 -11.273 -10.312 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.214 -10.762 -9.858 1.00 0.00 C ATOM 1106 C LEU A 716 -5.154 -10.532 -11.037 1.00 0.00 C ATOM 1107 O LEU A 716 -4.812 -9.833 -11.990 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.023 -9.458 -9.081 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.577 -9.603 -7.626 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.260 -8.242 -7.027 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.648 -10.310 -6.808 1.00 0.00 C ATOM 0 H LEU A 716 -2.295 -10.561 -10.681 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.661 -11.507 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.287 -8.850 -9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -4.963 -8.907 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.671 -10.208 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.944 -8.365 -5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.459 -7.771 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.149 -7.613 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.314 -10.405 -5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.571 -9.731 -6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -4.828 -11.302 -7.223 1.00 0.00 H new ATOM 1123 N SER A 717 -6.342 -11.124 -10.963 1.00 0.00 N ATOM 1124 CA SER A 717 -7.332 -10.986 -12.025 1.00 0.00 C ATOM 1125 C SER A 717 -6.660 -10.956 -13.394 1.00 0.00 C ATOM 1126 O SER A 717 -7.055 -10.194 -14.276 1.00 0.00 O ATOM 1127 CB SER A 717 -8.155 -9.712 -11.821 1.00 0.00 C ATOM 1128 OG SER A 717 -9.405 -9.801 -12.483 1.00 0.00 O ATOM 0 H SER A 717 -6.642 -11.704 -10.179 1.00 0.00 H new ATOM 0 HA SER A 717 -7.995 -11.850 -11.984 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.315 -9.545 -10.756 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.600 -8.853 -12.198 1.00 0.00 H new ATOM 0 HG SER A 717 -9.258 -9.963 -13.438 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.639 -11.791 -13.564 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.927 -11.845 -14.827 1.00 0.00 C ATOM 1136 C GLY A 718 -3.946 -10.701 -14.989 1.00 0.00 C ATOM 1137 O GLY A 718 -3.747 -10.197 -16.095 1.00 0.00 O ATOM 0 H GLY A 718 -5.293 -12.431 -12.849 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.391 -12.792 -14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.645 -11.823 -15.647 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.332 -10.290 -13.885 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.368 -9.196 -13.909 1.00 0.00 C ATOM 1143 C ARG A 719 -1.268 -9.418 -12.875 1.00 0.00 C ATOM 1144 O ARG A 719 -1.513 -9.349 -11.671 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.071 -7.863 -13.644 1.00 0.00 C ATOM 1146 CG ARG A 719 -4.149 -7.530 -14.662 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.242 -6.664 -14.054 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.870 -5.798 -15.047 1.00 0.00 N ATOM 1149 CZ ARG A 719 -5.227 -4.828 -15.688 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -3.944 -4.603 -15.441 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -5.868 -4.081 -16.579 1.00 0.00 N ATOM 0 H ARG A 719 -3.485 -10.698 -12.963 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.912 -9.168 -14.899 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.517 -7.889 -12.650 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.329 -7.065 -13.639 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.702 -7.011 -15.510 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.585 -8.452 -15.046 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.999 -7.303 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.819 -6.053 -13.256 1.00 0.00 H new ATOM 0 HE ARG A 719 -6.856 -5.946 -15.261 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -3.448 -5.175 -14.758 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -3.453 -3.858 -15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -6.855 -4.252 -16.772 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -5.373 -3.337 -17.071 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.057 -9.684 -13.355 1.00 0.00 N ATOM 1166 CA GLU A 720 1.079 -9.917 -12.471 1.00 0.00 C ATOM 1167 C GLU A 720 1.461 -8.640 -11.728 1.00 0.00 C ATOM 1168 O GLU A 720 1.750 -7.614 -12.344 1.00 0.00 O ATOM 1169 CB GLU A 720 2.277 -10.433 -13.271 1.00 0.00 C ATOM 1170 CG GLU A 720 2.330 -11.948 -13.379 1.00 0.00 C ATOM 1171 CD GLU A 720 3.228 -12.421 -14.505 1.00 0.00 C ATOM 1172 OE1 GLU A 720 4.087 -11.631 -14.951 1.00 0.00 O ATOM 1173 OE2 GLU A 720 3.073 -13.581 -14.941 1.00 0.00 O ATOM 0 H GLU A 720 0.162 -9.743 -14.349 1.00 0.00 H new ATOM 0 HA GLU A 720 0.789 -10.670 -11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.244 -10.007 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.195 -10.078 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.686 -12.364 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.322 -12.333 -13.537 1.00 0.00 H new ATOM 1180 N ILE A 721 1.461 -8.712 -10.401 1.00 0.00 N ATOM 1181 CA ILE A 721 1.807 -7.563 -9.574 1.00 0.00 C ATOM 1182 C ILE A 721 3.253 -7.647 -9.095 1.00 0.00 C ATOM 1183 O ILE A 721 3.791 -8.738 -8.901 1.00 0.00 O ATOM 1184 CB ILE A 721 0.879 -7.449 -8.351 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.127 -8.609 -7.385 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.577 -7.423 -8.792 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.531 -8.389 -6.012 1.00 0.00 C ATOM 0 H ILE A 721 1.225 -9.554 -9.876 1.00 0.00 H new ATOM 0 HA ILE A 721 1.683 -6.677 -10.197 1.00 0.00 H new ATOM 0 HB ILE A 721 1.099 -6.516 -7.833 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.710 -9.522 -7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.201 -8.765 -7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.221 -7.342 -7.916 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.744 -6.567 -9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.811 -8.341 -9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.745 -9.251 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 721 0.966 -7.495 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.548 -8.263 -6.100 1.00 0.00 H new ATOM 1199 N ASP A 722 3.875 -6.489 -8.904 1.00 0.00 N ATOM 1200 CA ASP A 722 5.258 -6.431 -8.444 1.00 0.00 C ATOM 1201 C ASP A 722 5.326 -5.995 -6.983 1.00 0.00 C ATOM 1202 O ASP A 722 5.002 -4.855 -6.649 1.00 0.00 O ATOM 1203 CB ASP A 722 6.067 -5.470 -9.315 1.00 0.00 C ATOM 1204 CG ASP A 722 7.432 -5.166 -8.728 1.00 0.00 C ATOM 1205 OD1 ASP A 722 8.290 -6.072 -8.722 1.00 0.00 O ATOM 1206 OD2 ASP A 722 7.641 -4.021 -8.273 1.00 0.00 O ATOM 0 H ASP A 722 3.444 -5.578 -9.060 1.00 0.00 H new ATOM 0 HA ASP A 722 5.686 -7.430 -8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 722 6.190 -5.901 -10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 722 5.512 -4.540 -9.437 1.00 0.00 H new ATOM 1211 N VAL A 723 5.750 -6.910 -6.117 1.00 0.00 N ATOM 1212 CA VAL A 723 5.861 -6.620 -4.693 1.00 0.00 C ATOM 1213 C VAL A 723 7.319 -6.450 -4.279 1.00 0.00 C ATOM 1214 O VAL A 723 8.191 -7.200 -4.718 1.00 0.00 O ATOM 1215 CB VAL A 723 5.224 -7.735 -3.842 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.912 -7.226 -2.443 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.970 -8.269 -4.516 1.00 0.00 C ATOM 0 H VAL A 723 6.022 -7.858 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 723 5.325 -5.687 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 723 5.938 -8.554 -3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.463 -8.027 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.833 -6.896 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.217 -6.389 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 723 3.533 -9.056 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 723 3.249 -7.460 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 723 4.227 -8.674 -5.495 1.00 0.00 H new ATOM 1227 N ARG A 724 7.576 -5.460 -3.431 1.00 0.00 N ATOM 1228 CA ARG A 724 8.928 -5.190 -2.958 1.00 0.00 C ATOM 1229 C ARG A 724 8.901 -4.497 -1.599 1.00 0.00 C ATOM 1230 O ARG A 724 7.841 -4.098 -1.116 1.00 0.00 O ATOM 1231 CB ARG A 724 9.682 -4.325 -3.969 1.00 0.00 C ATOM 1232 CG ARG A 724 9.186 -2.890 -4.032 1.00 0.00 C ATOM 1233 CD ARG A 724 10.127 -2.010 -4.841 1.00 0.00 C ATOM 1234 NE ARG A 724 9.567 -0.683 -5.078 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.293 0.366 -5.449 1.00 0.00 C ATOM 1236 NH1 ARG A 724 11.601 0.242 -5.623 1.00 0.00 N ATOM 1237 NH2 ARG A 724 9.710 1.542 -5.646 1.00 0.00 N ATOM 0 H ARG A 724 6.865 -4.831 -3.057 1.00 0.00 H new ATOM 0 HA ARG A 724 9.445 -6.144 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 724 10.742 -4.323 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 724 9.593 -4.775 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 724 8.191 -2.867 -4.478 1.00 0.00 H new ATOM 0 HG3 ARG A 724 9.092 -2.492 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.076 -1.914 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 724 10.340 -2.489 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 724 8.563 -0.554 -4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.052 -0.660 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.156 1.049 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 724 8.704 1.641 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 724 10.268 2.347 -5.931 1.00 0.00 H new ATOM 1251 N ILE A 725 10.073 -4.357 -0.988 1.00 0.00 N ATOM 1252 CA ILE A 725 10.183 -3.711 0.314 1.00 0.00 C ATOM 1253 C ILE A 725 10.407 -2.210 0.166 1.00 0.00 C ATOM 1254 O ILE A 725 11.195 -1.769 -0.671 1.00 0.00 O ATOM 1255 CB ILE A 725 11.332 -4.311 1.144 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.248 -5.839 1.143 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.294 -3.774 2.568 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.044 -6.378 1.882 1.00 0.00 C ATOM 0 H ILE A 725 10.959 -4.682 -1.374 1.00 0.00 H new ATOM 0 HA ILE A 725 9.241 -3.885 0.834 1.00 0.00 H new ATOM 0 HB ILE A 725 12.279 -4.018 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.220 -6.193 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.153 -6.245 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.113 -4.208 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.398 -2.689 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.344 -4.040 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.049 -7.467 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.081 -6.054 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.133 -6.001 1.417 1.00 0.00 H new ATOM 1270 N ASP A 726 9.710 -1.430 0.985 1.00 0.00 N ATOM 1271 CA ASP A 726 9.835 0.023 0.948 1.00 0.00 C ATOM 1272 C ASP A 726 10.884 0.504 1.945 1.00 0.00 C ATOM 1273 O ASP A 726 10.579 0.749 3.113 1.00 0.00 O ATOM 1274 CB ASP A 726 8.488 0.680 1.250 1.00 0.00 C ATOM 1275 CG ASP A 726 8.440 2.131 0.814 1.00 0.00 C ATOM 1276 OD1 ASP A 726 9.375 2.884 1.158 1.00 0.00 O ATOM 1277 OD2 ASP A 726 7.468 2.514 0.129 1.00 0.00 O ATOM 0 H ASP A 726 9.053 -1.779 1.682 1.00 0.00 H new ATOM 0 HA ASP A 726 10.154 0.310 -0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.696 0.126 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 726 8.289 0.619 2.320 1.00 0.00 H new