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 174:sc= -2.71! (180deg=-2.54!) USER MOD Set 1.2: A 714 MET CE :methyl -127:sc= -1.63 (180deg=-3.37!) USER MOD Set 2.1: A 669 LYS NZ :NH3+ 149:sc= 0 (180deg=0) USER MOD Set 2.2: A 673 ASN :FLIP amide:sc= -1.1 F(o=-3.2,f=-1.1) USER MOD Single : A 652 CYS SG : rot 180:sc= -0.0571 USER MOD Single : A 653 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 658 ASN :FLIP amide:sc= -0.287 F(o=-1.3,f=-0.29) USER MOD Single : A 664 THR OG1 : rot 180:sc= 0 USER MOD Single : A 666 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 179:sc= -0.125 (180deg=-0.13) USER MOD Single : A 671 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 CYS SG : rot 70:sc= -2.44 USER MOD Single : A 677 HIS : no HE2:sc= -1.58 X(o=-1.6,f=-1.1) USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0177) USER MOD Single : A 691 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 693 CYS SG : rot 180:sc= -2.56 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 51:sc= 0.0619 USER MOD Single : A 710 MET CE :methyl 160:sc= -0.168 (180deg=-0.691) USER MOD Single : A 712 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 715 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 717 SER OG : rot -53:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 76 N CYS A 652 9.097 -3.309 7.308 1.00 0.00 N ATOM 77 CA CYS A 652 7.750 -3.719 7.689 1.00 0.00 C ATOM 78 C CYS A 652 6.739 -3.325 6.617 1.00 0.00 C ATOM 79 O CYS A 652 5.754 -4.029 6.392 1.00 0.00 O ATOM 80 CB CYS A 652 7.363 -3.089 9.028 1.00 0.00 C ATOM 81 SG CYS A 652 7.453 -1.283 9.049 1.00 0.00 S ATOM 0 HA CYS A 652 7.741 -4.804 7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 652 6.348 -3.394 9.281 1.00 0.00 H new ATOM 0 HB3 CYS A 652 8.017 -3.484 9.805 1.00 0.00 H new ATOM 0 HG CYS A 652 7.106 -0.845 10.223 1.00 0.00 H new ATOM 87 N GLN A 653 6.988 -2.197 5.962 1.00 0.00 N ATOM 88 CA GLN A 653 6.098 -1.709 4.915 1.00 0.00 C ATOM 89 C GLN A 653 6.540 -2.213 3.545 1.00 0.00 C ATOM 90 O GLN A 653 7.726 -2.451 3.314 1.00 0.00 O ATOM 91 CB GLN A 653 6.059 -0.180 4.920 1.00 0.00 C ATOM 92 CG GLN A 653 5.058 0.407 3.938 1.00 0.00 C ATOM 93 CD GLN A 653 5.152 1.917 3.841 1.00 0.00 C ATOM 94 OE1 GLN A 653 5.516 2.591 4.805 1.00 0.00 O ATOM 95 NE2 GLN A 653 4.824 2.457 2.673 1.00 0.00 N ATOM 0 H GLN A 653 7.799 -1.603 6.137 1.00 0.00 H new ATOM 0 HA GLN A 653 5.098 -2.092 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 653 5.815 0.165 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 653 7.053 0.201 4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 653 5.224 -0.028 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 653 4.049 0.128 4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 653 4.528 1.860 1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 653 4.868 3.468 2.548 1.00 0.00 H new ATOM 104 N ILE A 654 5.579 -2.375 2.641 1.00 0.00 N ATOM 105 CA ILE A 654 5.870 -2.850 1.295 1.00 0.00 C ATOM 106 C ILE A 654 5.089 -2.059 0.251 1.00 0.00 C ATOM 107 O ILE A 654 4.161 -1.321 0.583 1.00 0.00 O ATOM 108 CB ILE A 654 5.539 -4.347 1.142 1.00 0.00 C ATOM 109 CG1 ILE A 654 4.050 -4.590 1.395 1.00 0.00 C ATOM 110 CG2 ILE A 654 6.386 -5.176 2.095 1.00 0.00 C ATOM 111 CD1 ILE A 654 3.562 -5.929 0.888 1.00 0.00 C ATOM 0 H ILE A 654 4.593 -2.184 2.817 1.00 0.00 H new ATOM 0 HA ILE A 654 6.938 -2.704 1.134 1.00 0.00 H new ATOM 0 HB ILE A 654 5.770 -4.653 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 654 3.856 -4.523 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 654 3.474 -3.798 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 654 6.141 -6.231 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 654 7.442 -5.021 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 654 6.183 -4.871 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 654 2.498 -6.033 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 654 3.724 -5.992 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 654 4.112 -6.728 1.385 1.00 0.00 H new ATOM 123 N PHE A 655 5.469 -2.220 -1.012 1.00 0.00 N ATOM 124 CA PHE A 655 4.803 -1.521 -2.105 1.00 0.00 C ATOM 125 C PHE A 655 4.217 -2.512 -3.107 1.00 0.00 C ATOM 126 O PHE A 655 4.631 -3.670 -3.166 1.00 0.00 O ATOM 127 CB PHE A 655 5.784 -0.584 -2.812 1.00 0.00 C ATOM 128 CG PHE A 655 5.115 0.553 -3.531 1.00 0.00 C ATOM 129 CD1 PHE A 655 4.804 1.726 -2.862 1.00 0.00 C ATOM 130 CD2 PHE A 655 4.796 0.448 -4.875 1.00 0.00 C ATOM 131 CE1 PHE A 655 4.189 2.774 -3.520 1.00 0.00 C ATOM 132 CE2 PHE A 655 4.181 1.492 -5.539 1.00 0.00 C ATOM 133 CZ PHE A 655 3.876 2.656 -4.860 1.00 0.00 C ATOM 0 H PHE A 655 6.234 -2.828 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 655 3.988 -0.932 -1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.481 -0.179 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.373 -1.159 -3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.045 1.822 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.031 -0.460 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.954 3.684 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 655 3.939 1.398 -6.587 1.00 0.00 H new ATOM 0 HZ PHE A 655 3.393 3.473 -5.376 1.00 0.00 H new ATOM 143 N VAL A 656 3.251 -2.049 -3.893 1.00 0.00 N ATOM 144 CA VAL A 656 2.608 -2.892 -4.893 1.00 0.00 C ATOM 145 C VAL A 656 2.230 -2.087 -6.131 1.00 0.00 C ATOM 146 O VAL A 656 2.069 -0.868 -6.066 1.00 0.00 O ATOM 147 CB VAL A 656 1.344 -3.568 -4.329 1.00 0.00 C ATOM 148 CG1 VAL A 656 0.826 -4.623 -5.294 1.00 0.00 C ATOM 149 CG2 VAL A 656 1.630 -4.177 -2.964 1.00 0.00 C ATOM 0 H VAL A 656 2.896 -1.093 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 656 3.330 -3.660 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 656 0.571 -2.809 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 656 -0.067 -5.089 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 656 0.581 -4.155 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 656 1.593 -5.382 -5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 656 0.726 -4.650 -2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 656 2.419 -4.923 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 656 1.950 -3.394 -2.276 1.00 0.00 H new ATOM 159 N ARG A 657 2.091 -2.776 -7.259 1.00 0.00 N ATOM 160 CA ARG A 657 1.733 -2.125 -8.513 1.00 0.00 C ATOM 161 C ARG A 657 1.019 -3.098 -9.447 1.00 0.00 C ATOM 162 O ARG A 657 1.085 -4.313 -9.262 1.00 0.00 O ATOM 163 CB ARG A 657 2.982 -1.567 -9.198 1.00 0.00 C ATOM 164 CG ARG A 657 3.575 -0.359 -8.493 1.00 0.00 C ATOM 165 CD ARG A 657 4.749 0.218 -9.268 1.00 0.00 C ATOM 166 NE ARG A 657 4.911 1.650 -9.031 1.00 0.00 N ATOM 167 CZ ARG A 657 6.041 2.310 -9.262 1.00 0.00 C ATOM 168 NH1 ARG A 657 7.102 1.670 -9.733 1.00 0.00 N ATOM 169 NH2 ARG A 657 6.110 3.613 -9.022 1.00 0.00 N ATOM 0 H ARG A 657 2.221 -3.785 -7.330 1.00 0.00 H new ATOM 0 HA ARG A 657 1.054 -1.303 -8.285 1.00 0.00 H new ATOM 0 HB2 ARG A 657 3.737 -2.351 -9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 657 2.732 -1.292 -10.223 1.00 0.00 H new ATOM 0 HG2 ARG A 657 2.808 0.405 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 657 3.903 -0.644 -7.493 1.00 0.00 H new ATOM 0 HD2 ARG A 657 5.663 -0.302 -8.982 1.00 0.00 H new ATOM 0 HD3 ARG A 657 4.602 0.041 -10.333 1.00 0.00 H new ATOM 0 HE ARG A 657 4.113 2.172 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 657 7.052 0.668 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 657 7.968 2.179 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 657 5.295 4.109 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 657 6.978 4.119 -9.199 1.00 0.00 H new ATOM 183 N ASN A 658 0.338 -2.556 -10.451 1.00 0.00 N ATOM 184 CA ASN A 658 -0.389 -3.376 -11.413 1.00 0.00 C ATOM 185 C ASN A 658 -1.595 -4.043 -10.758 1.00 0.00 C ATOM 186 O ASN A 658 -1.930 -5.187 -11.069 1.00 0.00 O ATOM 187 CB ASN A 658 0.535 -4.440 -12.009 1.00 0.00 C ATOM 188 CG ASN A 658 0.145 -4.818 -13.424 1.00 0.00 C ATOM 189 OD1 ASN A 658 -0.443 -5.998 -13.580 1.00 0.00 O flip ATOM 190 ND2 ASN A 658 0.369 -4.057 -14.366 1.00 0.00 N flip ATOM 0 H ASN A 658 0.274 -1.552 -10.620 1.00 0.00 H new ATOM 0 HA ASN A 658 -0.745 -2.725 -12.211 1.00 0.00 H new ATOM 0 HB2 ASN A 658 1.560 -4.071 -12.004 1.00 0.00 H new ATOM 0 HB3 ASN A 658 0.514 -5.330 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 658 0.823 -3.159 -14.199 1.00 0.00 H new ATOM 0 HD22 ASN A 658 0.100 -4.325 -15.313 1.00 0.00 H new ATOM 197 N LEU A 659 -2.242 -3.322 -9.850 1.00 0.00 N ATOM 198 CA LEU A 659 -3.412 -3.843 -9.151 1.00 0.00 C ATOM 199 C LEU A 659 -4.685 -3.581 -9.949 1.00 0.00 C ATOM 200 O LEU A 659 -4.841 -2.545 -10.595 1.00 0.00 O ATOM 201 CB LEU A 659 -3.527 -3.207 -7.764 1.00 0.00 C ATOM 202 CG LEU A 659 -2.524 -3.694 -6.717 1.00 0.00 C ATOM 203 CD1 LEU A 659 -2.425 -2.701 -5.570 1.00 0.00 C ATOM 204 CD2 LEU A 659 -2.919 -5.070 -6.201 1.00 0.00 C ATOM 0 H LEU A 659 -1.977 -2.375 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 659 -3.289 -4.920 -9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 659 -3.415 -2.128 -7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 659 -4.533 -3.388 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 659 -1.544 -3.772 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 659 -1.707 -3.064 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 659 -2.095 -1.735 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 659 -3.402 -2.591 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 659 -2.195 -5.401 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 659 -3.908 -5.018 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 659 -2.937 -5.778 -7.030 1.00 0.00 H new ATOM 216 N PRO A 660 -5.619 -4.543 -9.905 1.00 0.00 N ATOM 217 CA PRO A 660 -6.897 -4.438 -10.616 1.00 0.00 C ATOM 218 C PRO A 660 -7.578 -3.093 -10.390 1.00 0.00 C ATOM 219 O PRO A 660 -7.786 -2.675 -9.251 1.00 0.00 O ATOM 220 CB PRO A 660 -7.733 -5.569 -10.012 1.00 0.00 C ATOM 221 CG PRO A 660 -6.733 -6.567 -9.537 1.00 0.00 C ATOM 222 CD PRO A 660 -5.501 -5.805 -9.156 1.00 0.00 C ATOM 0 HA PRO A 660 -6.770 -4.513 -11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 660 -8.353 -5.208 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 660 -8.405 -6.003 -10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 660 -7.120 -7.125 -8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 660 -6.511 -7.293 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 660 -5.457 -5.629 -8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 660 -4.596 -6.348 -9.428 1.00 0.00 H new ATOM 230 N PHE A 661 -7.924 -2.419 -11.482 1.00 0.00 N ATOM 231 CA PHE A 661 -8.582 -1.120 -11.403 1.00 0.00 C ATOM 232 C PHE A 661 -9.656 -1.120 -10.319 1.00 0.00 C ATOM 233 O PHE A 661 -9.894 -0.104 -9.665 1.00 0.00 O ATOM 234 CB PHE A 661 -9.204 -0.756 -12.752 1.00 0.00 C ATOM 235 CG PHE A 661 -8.233 -0.125 -13.709 1.00 0.00 C ATOM 236 CD1 PHE A 661 -7.758 1.158 -13.488 1.00 0.00 C ATOM 237 CD2 PHE A 661 -7.795 -0.814 -14.828 1.00 0.00 C ATOM 238 CE1 PHE A 661 -6.865 1.742 -14.367 1.00 0.00 C ATOM 239 CE2 PHE A 661 -6.901 -0.236 -15.710 1.00 0.00 C ATOM 240 CZ PHE A 661 -6.435 1.043 -15.478 1.00 0.00 C ATOM 0 H PHE A 661 -7.760 -2.751 -12.432 1.00 0.00 H new ATOM 0 HA PHE A 661 -7.829 -0.375 -11.145 1.00 0.00 H new ATOM 0 HB2 PHE A 661 -9.618 -1.656 -13.207 1.00 0.00 H new ATOM 0 HB3 PHE A 661 -10.036 -0.071 -12.587 1.00 0.00 H new ATOM 0 HD1 PHE A 661 -8.089 1.708 -12.619 1.00 0.00 H new ATOM 0 HD2 PHE A 661 -8.156 -1.815 -15.014 1.00 0.00 H new ATOM 0 HE1 PHE A 661 -6.504 2.744 -14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 661 -6.568 -0.784 -16.579 1.00 0.00 H new ATOM 0 HZ PHE A 661 -5.735 1.496 -16.164 1.00 0.00 H new ATOM 250 N ASP A 662 -10.303 -2.266 -10.135 1.00 0.00 N ATOM 251 CA ASP A 662 -11.351 -2.400 -9.130 1.00 0.00 C ATOM 252 C ASP A 662 -10.752 -2.630 -7.746 1.00 0.00 C ATOM 253 O ASP A 662 -11.311 -2.200 -6.737 1.00 0.00 O ATOM 254 CB ASP A 662 -12.289 -3.553 -9.492 1.00 0.00 C ATOM 255 CG ASP A 662 -13.090 -3.275 -10.749 1.00 0.00 C ATOM 256 OD1 ASP A 662 -13.932 -2.353 -10.725 1.00 0.00 O ATOM 257 OD2 ASP A 662 -12.875 -3.981 -11.757 1.00 0.00 O ATOM 0 H ASP A 662 -10.120 -3.116 -10.669 1.00 0.00 H new ATOM 0 HA ASP A 662 -11.921 -1.471 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 662 -11.705 -4.463 -9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 662 -12.972 -3.736 -8.662 1.00 0.00 H new ATOM 262 N PHE A 663 -9.612 -3.312 -7.707 1.00 0.00 N ATOM 263 CA PHE A 663 -8.938 -3.601 -6.446 1.00 0.00 C ATOM 264 C PHE A 663 -9.095 -2.442 -5.467 1.00 0.00 C ATOM 265 O PHE A 663 -8.757 -1.299 -5.779 1.00 0.00 O ATOM 266 CB PHE A 663 -7.454 -3.881 -6.690 1.00 0.00 C ATOM 267 CG PHE A 663 -6.852 -4.832 -5.695 1.00 0.00 C ATOM 268 CD1 PHE A 663 -7.163 -6.181 -5.731 1.00 0.00 C ATOM 269 CD2 PHE A 663 -5.974 -4.376 -4.725 1.00 0.00 C ATOM 270 CE1 PHE A 663 -6.611 -7.058 -4.817 1.00 0.00 C ATOM 271 CE2 PHE A 663 -5.418 -5.249 -3.808 1.00 0.00 C ATOM 272 CZ PHE A 663 -5.737 -6.592 -3.855 1.00 0.00 C ATOM 0 H PHE A 663 -9.136 -3.675 -8.533 1.00 0.00 H new ATOM 0 HA PHE A 663 -9.401 -4.486 -6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 663 -7.330 -4.290 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 663 -6.905 -2.940 -6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 663 -7.845 -6.552 -6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 663 -5.721 -3.327 -4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 663 -6.863 -8.107 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 663 -4.735 -4.881 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 663 -5.304 -7.276 -3.141 1.00 0.00 H new ATOM 282 N THR A 664 -9.612 -2.743 -4.279 1.00 0.00 N ATOM 283 CA THR A 664 -9.816 -1.728 -3.254 1.00 0.00 C ATOM 284 C THR A 664 -8.821 -1.893 -2.111 1.00 0.00 C ATOM 285 O THR A 664 -8.048 -2.850 -2.083 1.00 0.00 O ATOM 286 CB THR A 664 -11.247 -1.782 -2.687 1.00 0.00 C ATOM 287 OG1 THR A 664 -11.496 -3.068 -2.110 1.00 0.00 O ATOM 288 CG2 THR A 664 -12.272 -1.501 -3.775 1.00 0.00 C ATOM 0 H THR A 664 -9.897 -3.683 -4.004 1.00 0.00 H new ATOM 0 HA THR A 664 -9.659 -0.761 -3.731 1.00 0.00 H new ATOM 0 HB THR A 664 -11.339 -1.015 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 664 -12.407 -3.094 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 664 -13.275 -1.545 -3.350 1.00 0.00 H new ATOM 0 HG22 THR A 664 -12.097 -0.509 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 664 -12.179 -2.248 -4.564 1.00 0.00 H new ATOM 296 N TRP A 665 -8.847 -0.956 -1.171 1.00 0.00 N ATOM 297 CA TRP A 665 -7.947 -0.999 -0.024 1.00 0.00 C ATOM 298 C TRP A 665 -8.257 -2.198 0.866 1.00 0.00 C ATOM 299 O TRP A 665 -7.368 -2.982 1.200 1.00 0.00 O ATOM 300 CB TRP A 665 -8.057 0.294 0.786 1.00 0.00 C ATOM 301 CG TRP A 665 -9.200 0.293 1.755 1.00 0.00 C ATOM 302 CD1 TRP A 665 -10.398 0.933 1.610 1.00 0.00 C ATOM 303 CD2 TRP A 665 -9.251 -0.378 3.019 1.00 0.00 C ATOM 304 NE1 TRP A 665 -11.191 0.700 2.708 1.00 0.00 N ATOM 305 CE2 TRP A 665 -10.511 -0.102 3.586 1.00 0.00 C ATOM 306 CE3 TRP A 665 -8.357 -1.186 3.725 1.00 0.00 C ATOM 307 CZ2 TRP A 665 -10.895 -0.605 4.826 1.00 0.00 C ATOM 308 CZ3 TRP A 665 -8.739 -1.685 4.956 1.00 0.00 C ATOM 309 CH2 TRP A 665 -9.999 -1.394 5.496 1.00 0.00 C ATOM 0 H TRP A 665 -9.481 -0.157 -1.180 1.00 0.00 H new ATOM 0 HA TRP A 665 -6.928 -1.100 -0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 665 -7.127 0.452 1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 665 -8.171 1.134 0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 665 -10.680 1.534 0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 665 -12.133 1.065 2.847 1.00 0.00 H new ATOM 0 HE3 TRP A 665 -7.384 -1.417 3.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 665 -11.865 -0.381 5.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 665 -8.055 -2.310 5.511 1.00 0.00 H new ATOM 0 HH2 TRP A 665 -10.269 -1.800 6.460 1.00 0.00 H new ATOM 320 N LYS A 666 -9.522 -2.335 1.248 1.00 0.00 N ATOM 321 CA LYS A 666 -9.949 -3.439 2.099 1.00 0.00 C ATOM 322 C LYS A 666 -9.341 -4.756 1.627 1.00 0.00 C ATOM 323 O LYS A 666 -8.698 -5.466 2.400 1.00 0.00 O ATOM 324 CB LYS A 666 -11.476 -3.544 2.105 1.00 0.00 C ATOM 325 CG LYS A 666 -12.004 -4.689 2.952 1.00 0.00 C ATOM 326 CD LYS A 666 -11.873 -4.391 4.436 1.00 0.00 C ATOM 327 CE LYS A 666 -12.966 -3.447 4.914 1.00 0.00 C ATOM 328 NZ LYS A 666 -14.178 -4.186 5.366 1.00 0.00 N ATOM 0 H LYS A 666 -10.270 -1.695 0.981 1.00 0.00 H new ATOM 0 HA LYS A 666 -9.600 -3.240 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 666 -11.895 -2.608 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 666 -11.827 -3.669 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 666 -13.050 -4.871 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 666 -11.457 -5.601 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 666 -11.922 -5.322 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 666 -10.897 -3.949 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 666 -12.586 -2.837 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 666 -13.236 -2.765 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 666 -14.900 -3.508 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 666 -14.556 -4.749 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 666 -13.926 -4.818 6.153 1.00 0.00 H new ATOM 342 N MET A 667 -9.549 -5.076 0.354 1.00 0.00 N ATOM 343 CA MET A 667 -9.018 -6.307 -0.221 1.00 0.00 C ATOM 344 C MET A 667 -7.500 -6.364 -0.078 1.00 0.00 C ATOM 345 O MET A 667 -6.947 -7.365 0.378 1.00 0.00 O ATOM 346 CB MET A 667 -9.407 -6.415 -1.697 1.00 0.00 C ATOM 347 CG MET A 667 -10.780 -7.028 -1.920 1.00 0.00 C ATOM 348 SD MET A 667 -10.896 -7.923 -3.481 1.00 0.00 S ATOM 349 CE MET A 667 -10.733 -6.579 -4.654 1.00 0.00 C ATOM 0 H MET A 667 -10.081 -4.501 -0.299 1.00 0.00 H new ATOM 0 HA MET A 667 -9.448 -7.148 0.323 1.00 0.00 H new ATOM 0 HB2 MET A 667 -9.385 -5.421 -2.144 1.00 0.00 H new ATOM 0 HB3 MET A 667 -8.661 -7.015 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 667 -11.008 -7.707 -1.099 1.00 0.00 H new ATOM 0 HG3 MET A 667 -11.533 -6.240 -1.901 1.00 0.00 H new ATOM 0 HE1 MET A 667 -10.767 -6.976 -5.669 1.00 0.00 H new ATOM 0 HE2 MET A 667 -11.550 -5.872 -4.513 1.00 0.00 H new ATOM 0 HE3 MET A 667 -9.782 -6.071 -4.495 1.00 0.00 H new ATOM 359 N LEU A 668 -6.833 -5.284 -0.469 1.00 0.00 N ATOM 360 CA LEU A 668 -5.378 -5.211 -0.385 1.00 0.00 C ATOM 361 C LEU A 668 -4.887 -5.692 0.977 1.00 0.00 C ATOM 362 O LEU A 668 -3.924 -6.453 1.069 1.00 0.00 O ATOM 363 CB LEU A 668 -4.905 -3.778 -0.633 1.00 0.00 C ATOM 364 CG LEU A 668 -3.406 -3.527 -0.461 1.00 0.00 C ATOM 365 CD1 LEU A 668 -2.613 -4.286 -1.513 1.00 0.00 C ATOM 366 CD2 LEU A 668 -3.103 -2.037 -0.533 1.00 0.00 C ATOM 0 H LEU A 668 -7.276 -4.447 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 668 -4.961 -5.863 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 668 -5.187 -3.494 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 668 -5.444 -3.116 0.045 1.00 0.00 H new ATOM 0 HG LEU A 668 -3.107 -3.891 0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 668 -1.549 -4.095 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 668 -2.806 -5.354 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 668 -2.915 -3.954 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 668 -2.032 -1.877 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 668 -3.418 -1.648 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 668 -3.642 -1.517 0.259 1.00 0.00 H new ATOM 378 N LYS A 669 -5.557 -5.244 2.034 1.00 0.00 N ATOM 379 CA LYS A 669 -5.193 -5.630 3.392 1.00 0.00 C ATOM 380 C LYS A 669 -5.415 -7.124 3.610 1.00 0.00 C ATOM 381 O LYS A 669 -4.463 -7.903 3.650 1.00 0.00 O ATOM 382 CB LYS A 669 -6.008 -4.828 4.408 1.00 0.00 C ATOM 383 CG LYS A 669 -5.963 -5.403 5.813 1.00 0.00 C ATOM 384 CD LYS A 669 -6.851 -4.620 6.765 1.00 0.00 C ATOM 385 CE LYS A 669 -6.366 -4.735 8.202 1.00 0.00 C ATOM 386 NZ LYS A 669 -6.798 -6.013 8.833 1.00 0.00 N ATOM 0 H LYS A 669 -6.356 -4.613 1.976 1.00 0.00 H new ATOM 0 HA LYS A 669 -4.134 -5.413 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 669 -5.637 -3.803 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 669 -7.045 -4.784 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 669 -6.282 -6.445 5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 669 -4.936 -5.391 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 669 -6.868 -3.571 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 669 -7.875 -4.988 6.695 1.00 0.00 H new ATOM 0 HE2 LYS A 669 -5.278 -4.668 8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 669 -6.749 -3.896 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 669 -6.088 -6.312 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 669 -7.713 -5.874 9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 669 -6.894 -6.746 8.102 1.00 0.00 H new ATOM 400 N ASP A 670 -6.677 -7.515 3.750 1.00 0.00 N ATOM 401 CA ASP A 670 -7.023 -8.916 3.963 1.00 0.00 C ATOM 402 C ASP A 670 -6.269 -9.816 2.989 1.00 0.00 C ATOM 403 O ASP A 670 -6.080 -11.005 3.245 1.00 0.00 O ATOM 404 CB ASP A 670 -8.531 -9.120 3.802 1.00 0.00 C ATOM 405 CG ASP A 670 -8.915 -10.586 3.760 1.00 0.00 C ATOM 406 OD1 ASP A 670 -8.675 -11.232 2.719 1.00 0.00 O ATOM 407 OD2 ASP A 670 -9.457 -11.086 4.768 1.00 0.00 O ATOM 0 H ASP A 670 -7.477 -6.883 3.720 1.00 0.00 H new ATOM 0 HA ASP A 670 -6.733 -9.187 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 670 -9.051 -8.635 4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 670 -8.865 -8.633 2.886 1.00 0.00 H new ATOM 412 N LYS A 671 -5.841 -9.241 1.870 1.00 0.00 N ATOM 413 CA LYS A 671 -5.107 -9.990 0.857 1.00 0.00 C ATOM 414 C LYS A 671 -3.705 -10.338 1.347 1.00 0.00 C ATOM 415 O LYS A 671 -3.222 -11.451 1.138 1.00 0.00 O ATOM 416 CB LYS A 671 -5.019 -9.182 -0.440 1.00 0.00 C ATOM 417 CG LYS A 671 -4.179 -9.849 -1.516 1.00 0.00 C ATOM 418 CD LYS A 671 -4.963 -10.925 -2.248 1.00 0.00 C ATOM 419 CE LYS A 671 -5.886 -10.325 -3.298 1.00 0.00 C ATOM 420 NZ LYS A 671 -6.914 -11.301 -3.756 1.00 0.00 N ATOM 0 H LYS A 671 -5.990 -8.258 1.642 1.00 0.00 H new ATOM 0 HA LYS A 671 -5.646 -10.917 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 671 -6.025 -9.019 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 671 -4.599 -8.201 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 671 -3.836 -9.099 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 671 -3.290 -10.289 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 671 -4.272 -11.620 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 671 -5.550 -11.500 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 671 -6.379 -9.444 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 671 -5.296 -9.991 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 671 -7.523 -10.854 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 671 -6.444 -12.131 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 671 -7.494 -11.601 -2.946 1.00 0.00 H new ATOM 434 N PHE A 672 -3.057 -9.380 2.001 1.00 0.00 N ATOM 435 CA PHE A 672 -1.710 -9.586 2.522 1.00 0.00 C ATOM 436 C PHE A 672 -1.755 -10.165 3.933 1.00 0.00 C ATOM 437 O PHE A 672 -0.739 -10.607 4.467 1.00 0.00 O ATOM 438 CB PHE A 672 -0.934 -8.268 2.524 1.00 0.00 C ATOM 439 CG PHE A 672 -0.243 -7.977 1.222 1.00 0.00 C ATOM 440 CD1 PHE A 672 -0.953 -7.477 0.142 1.00 0.00 C ATOM 441 CD2 PHE A 672 1.116 -8.203 1.078 1.00 0.00 C ATOM 442 CE1 PHE A 672 -0.320 -7.210 -1.057 1.00 0.00 C ATOM 443 CE2 PHE A 672 1.755 -7.937 -0.118 1.00 0.00 C ATOM 444 CZ PHE A 672 1.036 -7.439 -1.187 1.00 0.00 C ATOM 0 H PHE A 672 -3.442 -8.453 2.183 1.00 0.00 H new ATOM 0 HA PHE A 672 -1.201 -10.298 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 672 -1.620 -7.452 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 672 -0.192 -8.294 3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 672 -2.013 -7.294 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 672 1.683 -8.592 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 672 -0.885 -6.823 -1.892 1.00 0.00 H new ATOM 0 HE2 PHE A 672 2.815 -8.118 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 672 1.533 -7.229 -2.123 1.00 0.00 H new ATOM 454 N ASN A 673 -2.942 -10.157 4.532 1.00 0.00 N ATOM 455 CA ASN A 673 -3.120 -10.679 5.882 1.00 0.00 C ATOM 456 C ASN A 673 -2.603 -12.111 5.983 1.00 0.00 C ATOM 457 O ASN A 673 -2.077 -12.519 7.018 1.00 0.00 O ATOM 458 CB ASN A 673 -4.597 -10.629 6.280 1.00 0.00 C ATOM 459 CG ASN A 673 -4.973 -9.316 6.938 1.00 0.00 C ATOM 460 OD1 ASN A 673 -4.625 -8.209 6.292 1.00 0.00 O flip ATOM 461 ND2 ASN A 673 -5.571 -9.297 8.014 1.00 0.00 N flip ATOM 0 H ASN A 673 -3.794 -9.795 4.104 1.00 0.00 H new ATOM 0 HA ASN A 673 -2.545 -10.054 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 673 -5.215 -10.779 5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 673 -4.815 -11.450 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 673 -5.819 -10.172 8.475 1.00 0.00 H new ATOM 0 HD22 ASN A 673 -5.819 -8.406 8.444 1.00 0.00 H new ATOM 468 N GLU A 674 -2.756 -12.868 4.902 1.00 0.00 N ATOM 469 CA GLU A 674 -2.305 -14.254 4.870 1.00 0.00 C ATOM 470 C GLU A 674 -0.895 -14.381 5.440 1.00 0.00 C ATOM 471 O GLU A 674 -0.613 -15.280 6.233 1.00 0.00 O ATOM 472 CB GLU A 674 -2.338 -14.792 3.438 1.00 0.00 C ATOM 473 CG GLU A 674 -3.713 -14.728 2.795 1.00 0.00 C ATOM 474 CD GLU A 674 -3.744 -15.363 1.418 1.00 0.00 C ATOM 475 OE1 GLU A 674 -3.646 -16.605 1.334 1.00 0.00 O ATOM 476 OE2 GLU A 674 -3.866 -14.616 0.424 1.00 0.00 O ATOM 0 H GLU A 674 -3.189 -12.545 4.037 1.00 0.00 H new ATOM 0 HA GLU A 674 -2.983 -14.843 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 674 -1.635 -14.224 2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 674 -1.995 -15.827 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 674 -4.435 -15.231 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 674 -4.026 -13.687 2.718 1.00 0.00 H new ATOM 483 N CYS A 675 -0.014 -13.474 5.030 1.00 0.00 N ATOM 484 CA CYS A 675 1.367 -13.484 5.498 1.00 0.00 C ATOM 485 C CYS A 675 1.434 -13.220 6.999 1.00 0.00 C ATOM 486 O CYS A 675 2.000 -14.009 7.754 1.00 0.00 O ATOM 487 CB CYS A 675 2.190 -12.438 4.746 1.00 0.00 C ATOM 488 SG CYS A 675 3.978 -12.625 4.941 1.00 0.00 S ATOM 0 H CYS A 675 -0.232 -12.723 4.375 1.00 0.00 H new ATOM 0 HA CYS A 675 1.784 -14.472 5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 675 1.944 -12.491 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 675 1.900 -11.446 5.091 1.00 0.00 H new ATOM 0 HG CYS A 675 4.374 -13.691 4.312 1.00 0.00 H new ATOM 494 N GLY A 676 0.854 -12.102 7.424 1.00 0.00 N ATOM 495 CA GLY A 676 0.861 -11.751 8.833 1.00 0.00 C ATOM 496 C GLY A 676 -0.227 -10.758 9.188 1.00 0.00 C ATOM 497 O GLY A 676 -1.232 -10.647 8.485 1.00 0.00 O ATOM 0 H GLY A 676 0.379 -11.433 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 676 0.733 -12.654 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 676 1.832 -11.331 9.095 1.00 0.00 H new ATOM 501 N HIS A 677 -0.029 -10.032 10.285 1.00 0.00 N ATOM 502 CA HIS A 677 -1.002 -9.043 10.733 1.00 0.00 C ATOM 503 C HIS A 677 -0.761 -7.698 10.055 1.00 0.00 C ATOM 504 O HIS A 677 0.231 -7.022 10.327 1.00 0.00 O ATOM 505 CB HIS A 677 -0.933 -8.881 12.252 1.00 0.00 C ATOM 506 CG HIS A 677 -1.925 -7.899 12.795 1.00 0.00 C ATOM 507 ND1 HIS A 677 -2.896 -8.240 13.713 1.00 0.00 N ATOM 508 CD2 HIS A 677 -2.091 -6.579 12.547 1.00 0.00 C ATOM 509 CE1 HIS A 677 -3.618 -7.173 14.004 1.00 0.00 C ATOM 510 NE2 HIS A 677 -3.149 -6.151 13.310 1.00 0.00 N ATOM 0 H HIS A 677 0.796 -10.111 10.879 1.00 0.00 H new ATOM 0 HA HIS A 677 -1.996 -9.396 10.457 1.00 0.00 H new ATOM 0 HB2 HIS A 677 -1.100 -9.851 12.721 1.00 0.00 H new ATOM 0 HB3 HIS A 677 0.071 -8.562 12.530 1.00 0.00 H new ATOM 0 HD1 HIS A 677 -3.035 -9.171 14.106 1.00 0.00 H new ATOM 0 HD2 HIS A 677 -1.501 -5.975 11.874 1.00 0.00 H new ATOM 0 HE1 HIS A 677 -4.450 -7.141 14.692 1.00 0.00 H new ATOM 519 N VAL A 678 -1.676 -7.315 9.169 1.00 0.00 N ATOM 520 CA VAL A 678 -1.563 -6.051 8.452 1.00 0.00 C ATOM 521 C VAL A 678 -2.159 -4.905 9.262 1.00 0.00 C ATOM 522 O VAL A 678 -3.216 -5.049 9.877 1.00 0.00 O ATOM 523 CB VAL A 678 -2.267 -6.118 7.083 1.00 0.00 C ATOM 524 CG1 VAL A 678 -2.263 -4.752 6.413 1.00 0.00 C ATOM 525 CG2 VAL A 678 -1.603 -7.159 6.194 1.00 0.00 C ATOM 0 H VAL A 678 -2.503 -7.862 8.931 1.00 0.00 H new ATOM 0 HA VAL A 678 -0.500 -5.868 8.297 1.00 0.00 H new ATOM 0 HB VAL A 678 -3.304 -6.415 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 678 -2.764 -4.819 5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 678 -2.787 -4.035 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 678 -1.235 -4.422 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 678 -2.113 -7.193 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 678 -0.557 -6.893 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 678 -1.663 -8.137 6.671 1.00 0.00 H new ATOM 535 N LEU A 679 -1.474 -3.766 9.257 1.00 0.00 N ATOM 536 CA LEU A 679 -1.936 -2.593 9.991 1.00 0.00 C ATOM 537 C LEU A 679 -2.339 -1.476 9.034 1.00 0.00 C ATOM 538 O LEU A 679 -3.499 -1.064 8.998 1.00 0.00 O ATOM 539 CB LEU A 679 -0.842 -2.098 10.939 1.00 0.00 C ATOM 540 CG LEU A 679 -0.287 -3.131 11.920 1.00 0.00 C ATOM 541 CD1 LEU A 679 1.017 -2.640 12.531 1.00 0.00 C ATOM 542 CD2 LEU A 679 -1.306 -3.435 13.009 1.00 0.00 C ATOM 0 H LEU A 679 -0.598 -3.630 8.753 1.00 0.00 H new ATOM 0 HA LEU A 679 -2.811 -2.880 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 679 -0.016 -1.715 10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 679 -1.237 -1.259 11.511 1.00 0.00 H new ATOM 0 HG LEU A 679 -0.085 -4.051 11.372 1.00 0.00 H new ATOM 0 HD11 LEU A 679 1.397 -3.388 13.227 1.00 0.00 H new ATOM 0 HD12 LEU A 679 1.749 -2.474 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 679 0.840 -1.706 13.064 1.00 0.00 H new ATOM 0 HD21 LEU A 679 -0.893 -4.172 13.698 1.00 0.00 H new ATOM 0 HD22 LEU A 679 -1.540 -2.520 13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 679 -2.215 -3.830 12.556 1.00 0.00 H new ATOM 554 N TYR A 680 -1.375 -0.991 8.259 1.00 0.00 N ATOM 555 CA TYR A 680 -1.630 0.078 7.302 1.00 0.00 C ATOM 556 C TYR A 680 -1.879 -0.487 5.907 1.00 0.00 C ATOM 557 O TYR A 680 -1.124 -1.329 5.423 1.00 0.00 O ATOM 558 CB TYR A 680 -0.450 1.052 7.267 1.00 0.00 C ATOM 559 CG TYR A 680 -0.507 2.031 6.116 1.00 0.00 C ATOM 560 CD1 TYR A 680 -1.712 2.599 5.720 1.00 0.00 C ATOM 561 CD2 TYR A 680 0.644 2.390 5.427 1.00 0.00 C ATOM 562 CE1 TYR A 680 -1.768 3.493 4.669 1.00 0.00 C ATOM 563 CE2 TYR A 680 0.598 3.285 4.375 1.00 0.00 C ATOM 564 CZ TYR A 680 -0.611 3.834 4.000 1.00 0.00 C ATOM 565 OH TYR A 680 -0.663 4.726 2.954 1.00 0.00 O ATOM 0 H TYR A 680 -0.410 -1.321 8.275 1.00 0.00 H new ATOM 0 HA TYR A 680 -2.524 0.612 7.623 1.00 0.00 H new ATOM 0 HB2 TYR A 680 -0.420 1.607 8.204 1.00 0.00 H new ATOM 0 HB3 TYR A 680 0.478 0.483 7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 680 -2.620 2.337 6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 680 1.592 1.962 5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 680 -2.713 3.923 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 680 1.503 3.553 3.850 1.00 0.00 H new ATOM 0 HH TYR A 680 0.238 4.859 2.592 1.00 0.00 H new ATOM 575 N ALA A 681 -2.943 -0.016 5.266 1.00 0.00 N ATOM 576 CA ALA A 681 -3.291 -0.471 3.925 1.00 0.00 C ATOM 577 C ALA A 681 -4.126 0.572 3.191 1.00 0.00 C ATOM 578 O ALA A 681 -5.166 1.009 3.684 1.00 0.00 O ATOM 579 CB ALA A 681 -4.039 -1.794 3.995 1.00 0.00 C ATOM 0 H ALA A 681 -3.579 0.681 5.653 1.00 0.00 H new ATOM 0 HA ALA A 681 -2.367 -0.617 3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 681 -4.293 -2.122 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 681 -3.408 -2.544 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 681 -4.953 -1.665 4.575 1.00 0.00 H new ATOM 585 N ASP A 682 -3.664 0.969 2.010 1.00 0.00 N ATOM 586 CA ASP A 682 -4.369 1.961 1.207 1.00 0.00 C ATOM 587 C ASP A 682 -3.972 1.853 -0.262 1.00 0.00 C ATOM 588 O ASP A 682 -2.934 1.279 -0.594 1.00 0.00 O ATOM 589 CB ASP A 682 -4.074 3.370 1.725 1.00 0.00 C ATOM 590 CG ASP A 682 -5.184 4.350 1.398 1.00 0.00 C ATOM 591 OD1 ASP A 682 -6.194 4.369 2.132 1.00 0.00 O ATOM 592 OD2 ASP A 682 -5.042 5.099 0.408 1.00 0.00 O ATOM 0 H ASP A 682 -2.804 0.619 1.588 1.00 0.00 H new ATOM 0 HA ASP A 682 -5.438 1.767 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 682 -3.931 3.335 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 682 -3.139 3.726 1.291 1.00 0.00 H new ATOM 597 N ILE A 683 -4.804 2.406 -1.137 1.00 0.00 N ATOM 598 CA ILE A 683 -4.540 2.372 -2.570 1.00 0.00 C ATOM 599 C ILE A 683 -4.163 3.754 -3.093 1.00 0.00 C ATOM 600 O ILE A 683 -5.008 4.644 -3.191 1.00 0.00 O ATOM 601 CB ILE A 683 -5.759 1.852 -3.355 1.00 0.00 C ATOM 602 CG1 ILE A 683 -6.152 0.457 -2.865 1.00 0.00 C ATOM 603 CG2 ILE A 683 -5.459 1.831 -4.846 1.00 0.00 C ATOM 604 CD1 ILE A 683 -5.170 -0.622 -3.265 1.00 0.00 C ATOM 0 H ILE A 683 -5.668 2.883 -0.879 1.00 0.00 H new ATOM 0 HA ILE A 683 -3.704 1.689 -2.721 1.00 0.00 H new ATOM 0 HB ILE A 683 -6.598 2.526 -3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 683 -6.239 0.473 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 683 -7.136 0.206 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 683 -6.330 1.461 -5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 683 -5.223 2.840 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 683 -4.608 1.177 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 683 -5.512 -1.584 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 683 -5.100 -0.666 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 683 -4.189 -0.394 -2.848 1.00 0.00 H new ATOM 616 N LYS A 684 -2.890 3.926 -3.430 1.00 0.00 N ATOM 617 CA LYS A 684 -2.400 5.198 -3.947 1.00 0.00 C ATOM 618 C LYS A 684 -3.164 5.606 -5.203 1.00 0.00 C ATOM 619 O LYS A 684 -3.414 4.783 -6.082 1.00 0.00 O ATOM 620 CB LYS A 684 -0.904 5.105 -4.255 1.00 0.00 C ATOM 621 CG LYS A 684 -0.048 4.819 -3.033 1.00 0.00 C ATOM 622 CD LYS A 684 0.020 6.022 -2.107 1.00 0.00 C ATOM 623 CE LYS A 684 0.843 5.722 -0.863 1.00 0.00 C ATOM 624 NZ LYS A 684 2.293 5.591 -1.177 1.00 0.00 N ATOM 0 H LYS A 684 -2.178 3.200 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 684 -2.561 5.958 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 684 -0.742 4.320 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 684 -0.576 6.041 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 684 -0.457 3.965 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 684 0.958 4.544 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 684 0.457 6.867 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 684 -0.988 6.316 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 684 0.700 6.518 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 684 0.486 4.800 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 684 2.832 5.488 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 684 2.445 4.753 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 684 2.617 6.440 -1.683 1.00 0.00 H new ATOM 724 N LYS A 691 -4.105 4.071 -9.598 1.00 0.00 N ATOM 725 CA LYS A 691 -2.766 3.803 -10.108 1.00 0.00 C ATOM 726 C LYS A 691 -2.370 2.351 -9.862 1.00 0.00 C ATOM 727 O LYS A 691 -1.190 2.005 -9.898 1.00 0.00 O ATOM 728 CB LYS A 691 -1.751 4.739 -9.448 1.00 0.00 C ATOM 729 CG LYS A 691 -1.692 6.118 -10.082 1.00 0.00 C ATOM 730 CD LYS A 691 -0.816 6.124 -11.323 1.00 0.00 C ATOM 731 CE LYS A 691 -1.259 7.191 -12.312 1.00 0.00 C ATOM 732 NZ LYS A 691 -0.570 8.489 -12.073 1.00 0.00 N ATOM 0 HA LYS A 691 -2.771 3.982 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 691 -2.000 4.844 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 691 -0.762 4.283 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 691 -2.699 6.442 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 691 -1.305 6.836 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 691 0.221 6.300 -11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 691 -0.853 5.145 -11.801 1.00 0.00 H new ATOM 0 HE2 LYS A 691 -1.054 6.852 -13.328 1.00 0.00 H new ATOM 0 HE3 LYS A 691 -2.337 7.332 -12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 691 -0.899 9.190 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 691 -0.786 8.825 -11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 691 0.457 8.360 -12.172 1.00 0.00 H new ATOM 746 N GLY A 692 -3.365 1.505 -9.613 1.00 0.00 N ATOM 747 CA GLY A 692 -3.099 0.100 -9.367 1.00 0.00 C ATOM 748 C GLY A 692 -1.871 -0.116 -8.505 1.00 0.00 C ATOM 749 O GLY A 692 -1.146 -1.096 -8.679 1.00 0.00 O ATOM 0 H GLY A 692 -4.350 1.768 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 692 -3.964 -0.351 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 692 -2.965 -0.413 -10.319 1.00 0.00 H new ATOM 753 N CYS A 693 -1.635 0.802 -7.574 1.00 0.00 N ATOM 754 CA CYS A 693 -0.484 0.710 -6.683 1.00 0.00 C ATOM 755 C CYS A 693 -0.859 1.126 -5.265 1.00 0.00 C ATOM 756 O CYS A 693 -1.518 2.144 -5.059 1.00 0.00 O ATOM 757 CB CYS A 693 0.659 1.586 -7.199 1.00 0.00 C ATOM 758 SG CYS A 693 0.253 3.345 -7.296 1.00 0.00 S ATOM 0 H CYS A 693 -2.226 1.619 -7.417 1.00 0.00 H new ATOM 0 HA CYS A 693 -0.155 -0.329 -6.662 1.00 0.00 H new ATOM 0 HB2 CYS A 693 1.523 1.459 -6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 693 0.952 1.236 -8.189 1.00 0.00 H new ATOM 0 HG CYS A 693 1.282 4.004 -7.741 1.00 0.00 H new ATOM 764 N GLY A 694 -0.437 0.328 -4.288 1.00 0.00 N ATOM 765 CA GLY A 694 -0.740 0.629 -2.901 1.00 0.00 C ATOM 766 C GLY A 694 0.413 0.305 -1.972 1.00 0.00 C ATOM 767 O GLY A 694 1.572 0.296 -2.388 1.00 0.00 O ATOM 0 H GLY A 694 0.109 -0.521 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 694 -0.991 1.686 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 694 -1.620 0.064 -2.594 1.00 0.00 H new ATOM 771 N VAL A 695 0.096 0.039 -0.709 1.00 0.00 N ATOM 772 CA VAL A 695 1.115 -0.287 0.282 1.00 0.00 C ATOM 773 C VAL A 695 0.526 -1.103 1.428 1.00 0.00 C ATOM 774 O VAL A 695 -0.675 -1.043 1.693 1.00 0.00 O ATOM 775 CB VAL A 695 1.768 0.984 0.855 1.00 0.00 C ATOM 776 CG1 VAL A 695 2.653 1.647 -0.190 1.00 0.00 C ATOM 777 CG2 VAL A 695 0.705 1.950 1.355 1.00 0.00 C ATOM 0 H VAL A 695 -0.858 0.043 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 695 1.875 -0.878 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 695 2.395 0.700 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 695 3.106 2.544 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 695 3.437 0.954 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 695 2.051 1.919 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 695 1.185 2.843 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 695 0.050 2.230 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 695 0.117 1.471 2.138 1.00 0.00 H new ATOM 787 N VAL A 696 1.379 -1.865 2.105 1.00 0.00 N ATOM 788 CA VAL A 696 0.944 -2.691 3.224 1.00 0.00 C ATOM 789 C VAL A 696 2.004 -2.737 4.319 1.00 0.00 C ATOM 790 O VAL A 696 3.160 -3.076 4.065 1.00 0.00 O ATOM 791 CB VAL A 696 0.628 -4.129 2.770 1.00 0.00 C ATOM 792 CG1 VAL A 696 0.114 -4.957 3.938 1.00 0.00 C ATOM 793 CG2 VAL A 696 -0.379 -4.118 1.630 1.00 0.00 C ATOM 0 H VAL A 696 2.376 -1.927 1.898 1.00 0.00 H new ATOM 0 HA VAL A 696 0.037 -2.235 3.620 1.00 0.00 H new ATOM 0 HB VAL A 696 1.548 -4.588 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 696 -0.104 -5.970 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 696 0.872 -4.992 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 696 -0.795 -4.504 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 696 -0.591 -5.142 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 696 -1.301 -3.641 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 696 0.032 -3.563 0.787 1.00 0.00 H new ATOM 803 N LYS A 697 1.603 -2.394 5.538 1.00 0.00 N ATOM 804 CA LYS A 697 2.517 -2.397 6.674 1.00 0.00 C ATOM 805 C LYS A 697 2.180 -3.528 7.640 1.00 0.00 C ATOM 806 O LYS A 697 1.011 -3.781 7.933 1.00 0.00 O ATOM 807 CB LYS A 697 2.459 -1.054 7.405 1.00 0.00 C ATOM 808 CG LYS A 697 3.745 -0.703 8.134 1.00 0.00 C ATOM 809 CD LYS A 697 3.512 0.363 9.192 1.00 0.00 C ATOM 810 CE LYS A 697 3.094 -0.251 10.519 1.00 0.00 C ATOM 811 NZ LYS A 697 2.688 0.788 11.507 1.00 0.00 N ATOM 0 H LYS A 697 0.650 -2.110 5.765 1.00 0.00 H new ATOM 0 HA LYS A 697 3.527 -2.555 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 697 2.233 -0.267 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 697 1.639 -1.075 8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 697 4.155 -1.598 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 697 4.486 -0.350 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 697 4.423 0.945 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 697 2.741 1.054 8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 697 2.266 -0.940 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 697 3.920 -0.836 10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 697 2.410 0.330 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 697 3.486 1.431 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 697 1.884 1.329 11.131 1.00 0.00 H new ATOM 825 N PHE A 698 3.211 -4.206 8.133 1.00 0.00 N ATOM 826 CA PHE A 698 3.025 -5.310 9.068 1.00 0.00 C ATOM 827 C PHE A 698 3.547 -4.944 10.454 1.00 0.00 C ATOM 828 O PHE A 698 4.210 -3.922 10.628 1.00 0.00 O ATOM 829 CB PHE A 698 3.736 -6.564 8.557 1.00 0.00 C ATOM 830 CG PHE A 698 3.172 -7.091 7.268 1.00 0.00 C ATOM 831 CD1 PHE A 698 3.627 -6.611 6.050 1.00 0.00 C ATOM 832 CD2 PHE A 698 2.186 -8.064 7.274 1.00 0.00 C ATOM 833 CE1 PHE A 698 3.110 -7.094 4.862 1.00 0.00 C ATOM 834 CE2 PHE A 698 1.666 -8.551 6.090 1.00 0.00 C ATOM 835 CZ PHE A 698 2.128 -8.064 4.883 1.00 0.00 C ATOM 0 H PHE A 698 4.185 -4.010 7.901 1.00 0.00 H new ATOM 0 HA PHE A 698 1.957 -5.512 9.144 1.00 0.00 H new ATOM 0 HB2 PHE A 698 4.794 -6.340 8.417 1.00 0.00 H new ATOM 0 HB3 PHE A 698 3.673 -7.343 9.317 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.394 -5.851 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 698 1.819 -8.446 8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.474 -6.713 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 698 0.899 -9.311 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 698 1.721 -8.442 3.956 1.00 0.00 H new ATOM 845 N GLU A 699 3.243 -5.786 11.436 1.00 0.00 N ATOM 846 CA GLU A 699 3.681 -5.551 12.807 1.00 0.00 C ATOM 847 C GLU A 699 5.167 -5.856 12.963 1.00 0.00 C ATOM 848 O GLU A 699 5.898 -5.117 13.623 1.00 0.00 O ATOM 849 CB GLU A 699 2.868 -6.407 13.780 1.00 0.00 C ATOM 850 CG GLU A 699 1.374 -6.133 13.731 1.00 0.00 C ATOM 851 CD GLU A 699 0.681 -6.442 15.043 1.00 0.00 C ATOM 852 OE1 GLU A 699 0.254 -7.600 15.230 1.00 0.00 O ATOM 853 OE2 GLU A 699 0.564 -5.525 15.883 1.00 0.00 O ATOM 0 H GLU A 699 2.695 -6.637 11.308 1.00 0.00 H new ATOM 0 HA GLU A 699 3.518 -4.498 13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 699 3.043 -7.460 13.558 1.00 0.00 H new ATOM 0 HB3 GLU A 699 3.228 -6.231 14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 699 1.209 -5.087 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 699 0.925 -6.730 12.938 1.00 0.00 H new ATOM 860 N SER A 700 5.608 -6.951 12.352 1.00 0.00 N ATOM 861 CA SER A 700 7.006 -7.358 12.426 1.00 0.00 C ATOM 862 C SER A 700 7.697 -7.176 11.078 1.00 0.00 C ATOM 863 O SER A 700 7.077 -7.255 10.018 1.00 0.00 O ATOM 864 CB SER A 700 7.112 -8.817 12.873 1.00 0.00 C ATOM 865 OG SER A 700 6.466 -9.017 14.119 1.00 0.00 O ATOM 0 H SER A 700 5.017 -7.572 11.800 1.00 0.00 H new ATOM 0 HA SER A 700 7.505 -6.724 13.159 1.00 0.00 H new ATOM 0 HB2 SER A 700 6.664 -9.465 12.120 1.00 0.00 H new ATOM 0 HB3 SER A 700 8.161 -9.100 12.954 1.00 0.00 H new ATOM 0 HG SER A 700 6.546 -9.958 14.382 1.00 0.00 H new ATOM 871 N PRO A 701 9.015 -6.926 11.118 1.00 0.00 N ATOM 872 CA PRO A 701 9.820 -6.728 9.910 1.00 0.00 C ATOM 873 C PRO A 701 9.989 -8.015 9.108 1.00 0.00 C ATOM 874 O PRO A 701 9.953 -7.999 7.879 1.00 0.00 O ATOM 875 CB PRO A 701 11.170 -6.258 10.456 1.00 0.00 C ATOM 876 CG PRO A 701 11.234 -6.813 11.837 1.00 0.00 C ATOM 877 CD PRO A 701 9.819 -6.819 12.347 1.00 0.00 C ATOM 0 HA PRO A 701 9.354 -6.023 9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 701 11.994 -6.624 9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 701 11.237 -5.170 10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 701 11.652 -7.820 11.834 1.00 0.00 H new ATOM 0 HG3 PRO A 701 11.876 -6.203 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 701 9.638 -7.657 13.020 1.00 0.00 H new ATOM 0 HD3 PRO A 701 9.587 -5.909 12.901 1.00 0.00 H new ATOM 885 N GLU A 702 10.173 -9.126 9.814 1.00 0.00 N ATOM 886 CA GLU A 702 10.348 -10.421 9.166 1.00 0.00 C ATOM 887 C GLU A 702 9.190 -10.716 8.218 1.00 0.00 C ATOM 888 O GLU A 702 9.397 -11.114 7.072 1.00 0.00 O ATOM 889 CB GLU A 702 10.457 -11.530 10.215 1.00 0.00 C ATOM 890 CG GLU A 702 9.249 -11.623 11.131 1.00 0.00 C ATOM 891 CD GLU A 702 9.458 -12.595 12.276 1.00 0.00 C ATOM 892 OE1 GLU A 702 9.981 -12.171 13.327 1.00 0.00 O ATOM 893 OE2 GLU A 702 9.097 -13.780 12.120 1.00 0.00 O ATOM 0 H GLU A 702 10.205 -9.156 10.833 1.00 0.00 H new ATOM 0 HA GLU A 702 11.270 -10.387 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 702 10.592 -12.486 9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 702 11.348 -11.360 10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 702 9.027 -10.635 11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 702 8.380 -11.933 10.550 1.00 0.00 H new ATOM 900 N VAL A 703 7.969 -10.517 8.704 1.00 0.00 N ATOM 901 CA VAL A 703 6.776 -10.760 7.901 1.00 0.00 C ATOM 902 C VAL A 703 6.888 -10.091 6.536 1.00 0.00 C ATOM 903 O VAL A 703 6.822 -10.754 5.501 1.00 0.00 O ATOM 904 CB VAL A 703 5.508 -10.248 8.609 1.00 0.00 C ATOM 905 CG1 VAL A 703 4.283 -10.468 7.735 1.00 0.00 C ATOM 906 CG2 VAL A 703 5.340 -10.931 9.958 1.00 0.00 C ATOM 0 H VAL A 703 7.780 -10.188 9.651 1.00 0.00 H new ATOM 0 HA VAL A 703 6.698 -11.839 7.769 1.00 0.00 H new ATOM 0 HB VAL A 703 5.615 -9.177 8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 703 3.397 -10.100 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 703 4.405 -9.929 6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 703 4.168 -11.533 7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 703 4.439 -10.558 10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 703 5.254 -12.008 9.812 1.00 0.00 H new ATOM 0 HG23 VAL A 703 6.206 -10.717 10.584 1.00 0.00 H new ATOM 916 N ALA A 704 7.057 -8.773 6.541 1.00 0.00 N ATOM 917 CA ALA A 704 7.180 -8.013 5.303 1.00 0.00 C ATOM 918 C ALA A 704 8.057 -8.747 4.294 1.00 0.00 C ATOM 919 O ALA A 704 7.577 -9.200 3.256 1.00 0.00 O ATOM 920 CB ALA A 704 7.743 -6.629 5.587 1.00 0.00 C ATOM 0 H ALA A 704 7.112 -8.209 7.389 1.00 0.00 H new ATOM 0 HA ALA A 704 6.185 -7.906 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 704 7.829 -6.073 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 704 7.076 -6.097 6.266 1.00 0.00 H new ATOM 0 HB3 ALA A 704 8.727 -6.724 6.045 1.00 0.00 H new ATOM 926 N GLU A 705 9.344 -8.859 4.607 1.00 0.00 N ATOM 927 CA GLU A 705 10.287 -9.536 3.725 1.00 0.00 C ATOM 928 C GLU A 705 9.635 -10.740 3.052 1.00 0.00 C ATOM 929 O GLU A 705 9.821 -10.973 1.857 1.00 0.00 O ATOM 930 CB GLU A 705 11.522 -9.984 4.510 1.00 0.00 C ATOM 931 CG GLU A 705 12.600 -8.918 4.610 1.00 0.00 C ATOM 932 CD GLU A 705 13.985 -9.505 4.802 1.00 0.00 C ATOM 933 OE1 GLU A 705 14.633 -9.837 3.787 1.00 0.00 O ATOM 934 OE2 GLU A 705 14.420 -9.633 5.965 1.00 0.00 O ATOM 0 H GLU A 705 9.757 -8.490 5.464 1.00 0.00 H new ATOM 0 HA GLU A 705 10.592 -8.831 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 705 11.217 -10.276 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 705 11.942 -10.870 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 705 12.589 -8.310 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 705 12.372 -8.253 5.443 1.00 0.00 H new ATOM 941 N ARG A 706 8.869 -11.501 3.827 1.00 0.00 N ATOM 942 CA ARG A 706 8.190 -12.682 3.307 1.00 0.00 C ATOM 943 C ARG A 706 7.075 -12.287 2.343 1.00 0.00 C ATOM 944 O ARG A 706 7.127 -12.603 1.155 1.00 0.00 O ATOM 945 CB ARG A 706 7.616 -13.513 4.456 1.00 0.00 C ATOM 946 CG ARG A 706 7.379 -14.970 4.094 1.00 0.00 C ATOM 947 CD ARG A 706 6.574 -15.687 5.166 1.00 0.00 C ATOM 948 NE ARG A 706 7.427 -16.221 6.225 1.00 0.00 N ATOM 949 CZ ARG A 706 6.961 -16.874 7.284 1.00 0.00 C ATOM 950 NH1 ARG A 706 5.658 -17.073 7.424 1.00 0.00 N ATOM 951 NH2 ARG A 706 7.800 -17.331 8.205 1.00 0.00 N ATOM 0 H ARG A 706 8.703 -11.321 4.817 1.00 0.00 H new ATOM 0 HA ARG A 706 8.920 -13.282 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 706 8.298 -13.465 5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 706 6.674 -13.070 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 706 6.852 -15.028 3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 706 8.337 -15.473 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 706 5.849 -14.997 5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 706 6.008 -16.500 4.711 1.00 0.00 H new ATOM 0 HE ARG A 706 8.435 -16.085 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 706 5.010 -16.724 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 706 5.303 -17.575 8.238 1.00 0.00 H new ATOM 0 HH21 ARG A 706 8.803 -17.181 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 706 7.441 -17.832 9.018 1.00 0.00 H new ATOM 965 N ALA A 707 6.067 -11.596 2.864 1.00 0.00 N ATOM 966 CA ALA A 707 4.940 -11.157 2.050 1.00 0.00 C ATOM 967 C ALA A 707 5.394 -10.773 0.646 1.00 0.00 C ATOM 968 O ALA A 707 4.796 -11.193 -0.346 1.00 0.00 O ATOM 969 CB ALA A 707 4.232 -9.986 2.716 1.00 0.00 C ATOM 0 H ALA A 707 6.007 -11.328 3.846 1.00 0.00 H new ATOM 0 HA ALA A 707 4.241 -11.989 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 707 3.393 -9.669 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.865 -10.292 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 707 4.930 -9.157 2.833 1.00 0.00 H new ATOM 975 N CYS A 708 6.452 -9.974 0.569 1.00 0.00 N ATOM 976 CA CYS A 708 6.985 -9.533 -0.715 1.00 0.00 C ATOM 977 C CYS A 708 7.050 -10.692 -1.705 1.00 0.00 C ATOM 978 O CYS A 708 6.419 -10.655 -2.761 1.00 0.00 O ATOM 979 CB CYS A 708 8.377 -8.925 -0.531 1.00 0.00 C ATOM 980 SG CYS A 708 9.383 -8.917 -2.034 1.00 0.00 S ATOM 0 H CYS A 708 6.958 -9.618 1.380 1.00 0.00 H new ATOM 0 HA CYS A 708 6.314 -8.773 -1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 708 8.270 -7.901 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 708 8.905 -9.481 0.244 1.00 0.00 H new ATOM 0 HG CYS A 708 8.705 -8.385 -3.007 1.00 0.00 H new ATOM 986 N ARG A 709 7.818 -11.719 -1.356 1.00 0.00 N ATOM 987 CA ARG A 709 7.967 -12.887 -2.214 1.00 0.00 C ATOM 988 C ARG A 709 6.669 -13.688 -2.274 1.00 0.00 C ATOM 989 O ARG A 709 6.301 -14.215 -3.324 1.00 0.00 O ATOM 990 CB ARG A 709 9.104 -13.777 -1.708 1.00 0.00 C ATOM 991 CG ARG A 709 10.454 -13.449 -2.325 1.00 0.00 C ATOM 992 CD ARG A 709 11.592 -13.730 -1.356 1.00 0.00 C ATOM 993 NE ARG A 709 12.833 -14.063 -2.050 1.00 0.00 N ATOM 994 CZ ARG A 709 14.036 -13.953 -1.498 1.00 0.00 C ATOM 995 NH1 ARG A 709 14.160 -13.522 -0.250 1.00 0.00 N ATOM 996 NH2 ARG A 709 15.119 -14.275 -2.194 1.00 0.00 N ATOM 0 H ARG A 709 8.346 -11.765 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 709 8.206 -12.539 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 709 9.176 -13.680 -0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 709 8.861 -14.818 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 709 10.593 -14.037 -3.232 1.00 0.00 H new ATOM 0 HG3 ARG A 709 10.476 -12.400 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 709 11.753 -12.857 -0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 709 11.313 -14.553 -0.698 1.00 0.00 H new ATOM 0 HE ARG A 709 12.773 -14.398 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 709 13.330 -13.274 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 709 15.085 -13.439 0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 709 15.028 -14.607 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 709 16.042 -14.190 -1.769 1.00 0.00 H new ATOM 1010 N MET A 710 5.981 -13.774 -1.141 1.00 0.00 N ATOM 1011 CA MET A 710 4.723 -14.509 -1.065 1.00 0.00 C ATOM 1012 C MET A 710 3.662 -13.864 -1.949 1.00 0.00 C ATOM 1013 O MET A 710 2.639 -14.477 -2.255 1.00 0.00 O ATOM 1014 CB MET A 710 4.230 -14.571 0.382 1.00 0.00 C ATOM 1015 CG MET A 710 4.776 -15.757 1.161 1.00 0.00 C ATOM 1016 SD MET A 710 4.093 -15.869 2.825 1.00 0.00 S ATOM 1017 CE MET A 710 2.367 -16.181 2.462 1.00 0.00 C ATOM 0 H MET A 710 6.272 -13.344 -0.263 1.00 0.00 H new ATOM 0 HA MET A 710 4.901 -15.523 -1.424 1.00 0.00 H new ATOM 0 HB2 MET A 710 4.512 -13.650 0.893 1.00 0.00 H new ATOM 0 HB3 MET A 710 3.141 -14.616 0.384 1.00 0.00 H new ATOM 0 HG2 MET A 710 4.554 -16.676 0.619 1.00 0.00 H new ATOM 0 HG3 MET A 710 5.861 -15.678 1.223 1.00 0.00 H new ATOM 0 HE1 MET A 710 1.885 -16.619 3.336 1.00 0.00 H new ATOM 0 HE2 MET A 710 1.873 -15.243 2.207 1.00 0.00 H new ATOM 0 HE3 MET A 710 2.291 -16.871 1.622 1.00 0.00 H new ATOM 1027 N MET A 711 3.911 -12.623 -2.355 1.00 0.00 N ATOM 1028 CA MET A 711 2.975 -11.896 -3.206 1.00 0.00 C ATOM 1029 C MET A 711 3.657 -11.429 -4.488 1.00 0.00 C ATOM 1030 O MET A 711 3.001 -10.940 -5.407 1.00 0.00 O ATOM 1031 CB MET A 711 2.399 -10.694 -2.454 1.00 0.00 C ATOM 1032 CG MET A 711 1.547 -11.078 -1.255 1.00 0.00 C ATOM 1033 SD MET A 711 0.294 -12.310 -1.660 1.00 0.00 S ATOM 1034 CE MET A 711 -1.197 -11.450 -1.164 1.00 0.00 C ATOM 0 H MET A 711 4.752 -12.100 -2.109 1.00 0.00 H new ATOM 0 HA MET A 711 2.163 -12.572 -3.473 1.00 0.00 H new ATOM 0 HB2 MET A 711 3.219 -10.059 -2.118 1.00 0.00 H new ATOM 0 HB3 MET A 711 1.797 -10.100 -3.142 1.00 0.00 H new ATOM 0 HG2 MET A 711 2.191 -11.466 -0.466 1.00 0.00 H new ATOM 0 HG3 MET A 711 1.060 -10.187 -0.860 1.00 0.00 H new ATOM 0 HE1 MET A 711 -2.069 -12.039 -1.450 1.00 0.00 H new ATOM 0 HE2 MET A 711 -1.193 -11.309 -0.083 1.00 0.00 H new ATOM 0 HE3 MET A 711 -1.238 -10.479 -1.657 1.00 0.00 H new ATOM 1044 N ASN A 712 4.976 -11.583 -4.542 1.00 0.00 N ATOM 1045 CA ASN A 712 5.745 -11.176 -5.712 1.00 0.00 C ATOM 1046 C ASN A 712 5.360 -12.007 -6.933 1.00 0.00 C ATOM 1047 O ASN A 712 5.526 -13.226 -6.944 1.00 0.00 O ATOM 1048 CB ASN A 712 7.244 -11.318 -5.437 1.00 0.00 C ATOM 1049 CG ASN A 712 8.086 -11.032 -6.666 1.00 0.00 C ATOM 1050 OD1 ASN A 712 7.898 -10.019 -7.339 1.00 0.00 O ATOM 1051 ND2 ASN A 712 9.022 -11.927 -6.962 1.00 0.00 N ATOM 0 H ASN A 712 5.534 -11.986 -3.790 1.00 0.00 H new ATOM 0 HA ASN A 712 5.517 -10.131 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 712 7.530 -10.636 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 712 7.452 -12.328 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 712 9.621 -11.789 -7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 712 9.142 -12.753 -6.375 1.00 0.00 H new ATOM 1058 N GLY A 713 4.845 -11.338 -7.959 1.00 0.00 N ATOM 1059 CA GLY A 713 4.445 -12.030 -9.170 1.00 0.00 C ATOM 1060 C GLY A 713 3.102 -12.718 -9.028 1.00 0.00 C ATOM 1061 O GLY A 713 2.853 -13.745 -9.660 1.00 0.00 O ATOM 0 H GLY A 713 4.697 -10.329 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 713 4.399 -11.318 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 713 5.203 -12.769 -9.430 1.00 0.00 H new ATOM 1065 N MET A 714 2.235 -12.154 -8.194 1.00 0.00 N ATOM 1066 CA MET A 714 0.910 -12.721 -7.970 1.00 0.00 C ATOM 1067 C MET A 714 -0.044 -12.336 -9.096 1.00 0.00 C ATOM 1068 O MET A 714 -0.430 -11.174 -9.227 1.00 0.00 O ATOM 1069 CB MET A 714 0.350 -12.248 -6.627 1.00 0.00 C ATOM 1070 CG MET A 714 -1.055 -12.756 -6.342 1.00 0.00 C ATOM 1071 SD MET A 714 -1.511 -12.598 -4.605 1.00 0.00 S ATOM 1072 CE MET A 714 -2.210 -10.949 -4.587 1.00 0.00 C ATOM 0 H MET A 714 2.426 -11.305 -7.662 1.00 0.00 H new ATOM 0 HA MET A 714 1.005 -13.807 -7.954 1.00 0.00 H new ATOM 0 HB2 MET A 714 1.015 -12.577 -5.829 1.00 0.00 H new ATOM 0 HB3 MET A 714 0.344 -11.158 -6.608 1.00 0.00 H new ATOM 0 HG2 MET A 714 -1.768 -12.202 -6.953 1.00 0.00 H new ATOM 0 HG3 MET A 714 -1.126 -13.802 -6.639 1.00 0.00 H new ATOM 0 HE1 MET A 714 -1.724 -10.356 -3.812 1.00 0.00 H new ATOM 0 HE2 MET A 714 -2.053 -10.477 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 714 -3.279 -11.009 -4.381 1.00 0.00 H new ATOM 1082 N LYS A 715 -0.420 -13.318 -9.908 1.00 0.00 N ATOM 1083 CA LYS A 715 -1.330 -13.083 -11.024 1.00 0.00 C ATOM 1084 C LYS A 715 -2.722 -12.715 -10.522 1.00 0.00 C ATOM 1085 O LYS A 715 -3.490 -13.581 -10.099 1.00 0.00 O ATOM 1086 CB LYS A 715 -1.409 -14.324 -11.915 1.00 0.00 C ATOM 1087 CG LYS A 715 -0.405 -14.319 -13.055 1.00 0.00 C ATOM 1088 CD LYS A 715 -0.936 -13.563 -14.261 1.00 0.00 C ATOM 1089 CE LYS A 715 -0.264 -14.020 -15.547 1.00 0.00 C ATOM 1090 NZ LYS A 715 -0.611 -13.141 -16.698 1.00 0.00 N ATOM 0 H LYS A 715 -0.109 -14.285 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 715 -0.941 -12.249 -11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 715 -1.247 -15.211 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 715 -2.415 -14.401 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 715 0.526 -13.863 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 715 -0.172 -15.345 -13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 715 -2.013 -13.712 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 715 -0.771 -12.494 -14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 715 0.817 -14.027 -15.409 1.00 0.00 H new ATOM 0 HE3 LYS A 715 -0.564 -15.044 -15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 715 -0.133 -13.486 -17.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 715 -1.640 -13.154 -16.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 715 -0.302 -12.168 -16.498 1.00 0.00 H new ATOM 1104 N LEU A 716 -3.043 -11.427 -10.572 1.00 0.00 N ATOM 1105 CA LEU A 716 -4.345 -10.945 -10.124 1.00 0.00 C ATOM 1106 C LEU A 716 -5.277 -10.713 -11.308 1.00 0.00 C ATOM 1107 O LEU A 716 -4.960 -9.951 -12.221 1.00 0.00 O ATOM 1108 CB LEU A 716 -4.184 -9.649 -9.326 1.00 0.00 C ATOM 1109 CG LEU A 716 -3.745 -9.808 -7.870 1.00 0.00 C ATOM 1110 CD1 LEU A 716 -3.247 -8.482 -7.315 1.00 0.00 C ATOM 1111 CD2 LEU A 716 -4.890 -10.345 -7.024 1.00 0.00 C ATOM 0 H LEU A 716 -2.420 -10.698 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 716 -4.786 -11.708 -9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 716 -3.456 -9.019 -9.837 1.00 0.00 H new ATOM 0 HB3 LEU A 716 -5.134 -9.116 -9.342 1.00 0.00 H new ATOM 0 HG LEU A 716 -2.925 -10.525 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 716 -2.939 -8.614 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 716 -2.398 -8.137 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 716 -4.047 -7.743 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 716 -4.560 -10.452 -5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 716 -5.730 -9.652 -7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 716 -5.201 -11.317 -7.408 1.00 0.00 H new ATOM 1123 N SER A 717 -6.430 -11.374 -11.285 1.00 0.00 N ATOM 1124 CA SER A 717 -7.409 -11.242 -12.359 1.00 0.00 C ATOM 1125 C SER A 717 -6.717 -11.111 -13.712 1.00 0.00 C ATOM 1126 O SER A 717 -7.151 -10.346 -14.572 1.00 0.00 O ATOM 1127 CB SER A 717 -8.306 -10.028 -12.112 1.00 0.00 C ATOM 1128 OG SER A 717 -9.443 -10.054 -12.957 1.00 0.00 O ATOM 0 H SER A 717 -6.709 -12.006 -10.535 1.00 0.00 H new ATOM 0 HA SER A 717 -8.023 -12.142 -12.371 1.00 0.00 H new ATOM 0 HB2 SER A 717 -8.624 -10.013 -11.070 1.00 0.00 H new ATOM 0 HB3 SER A 717 -7.740 -9.113 -12.286 1.00 0.00 H new ATOM 0 HG SER A 717 -9.156 -10.149 -13.889 1.00 0.00 H new ATOM 1134 N GLY A 718 -5.635 -11.863 -13.892 1.00 0.00 N ATOM 1135 CA GLY A 718 -4.899 -11.817 -15.142 1.00 0.00 C ATOM 1136 C GLY A 718 -3.956 -10.632 -15.216 1.00 0.00 C ATOM 1137 O GLY A 718 -3.745 -10.065 -16.288 1.00 0.00 O ATOM 0 H GLY A 718 -5.255 -12.503 -13.194 1.00 0.00 H new ATOM 0 HA2 GLY A 718 -4.329 -12.739 -15.259 1.00 0.00 H new ATOM 0 HA3 GLY A 718 -5.603 -11.770 -15.973 1.00 0.00 H new ATOM 1141 N ARG A 719 -3.390 -10.256 -14.074 1.00 0.00 N ATOM 1142 CA ARG A 719 -2.467 -9.129 -14.013 1.00 0.00 C ATOM 1143 C ARG A 719 -1.400 -9.357 -12.947 1.00 0.00 C ATOM 1144 O ARG A 719 -1.692 -9.350 -11.752 1.00 0.00 O ATOM 1145 CB ARG A 719 -3.228 -7.835 -13.720 1.00 0.00 C ATOM 1146 CG ARG A 719 -3.875 -7.216 -14.948 1.00 0.00 C ATOM 1147 CD ARG A 719 -5.010 -6.279 -14.568 1.00 0.00 C ATOM 1148 NE ARG A 719 -5.200 -5.220 -15.556 1.00 0.00 N ATOM 1149 CZ ARG A 719 -4.294 -4.284 -15.814 1.00 0.00 C ATOM 1150 NH1 ARG A 719 -3.141 -4.275 -15.159 1.00 0.00 N ATOM 1151 NH2 ARG A 719 -4.540 -3.354 -16.728 1.00 0.00 N ATOM 0 H ARG A 719 -3.554 -10.715 -13.178 1.00 0.00 H new ATOM 0 HA ARG A 719 -1.975 -9.042 -14.982 1.00 0.00 H new ATOM 0 HB2 ARG A 719 -3.999 -8.038 -12.977 1.00 0.00 H new ATOM 0 HB3 ARG A 719 -2.542 -7.112 -13.278 1.00 0.00 H new ATOM 0 HG2 ARG A 719 -3.125 -6.668 -15.518 1.00 0.00 H new ATOM 0 HG3 ARG A 719 -4.255 -8.005 -15.597 1.00 0.00 H new ATOM 0 HD2 ARG A 719 -5.933 -6.850 -14.467 1.00 0.00 H new ATOM 0 HD3 ARG A 719 -4.802 -5.834 -13.595 1.00 0.00 H new ATOM 0 HE ARG A 719 -6.077 -5.198 -16.076 1.00 0.00 H new ATOM 0 HH11 ARG A 719 -2.949 -4.988 -14.455 1.00 0.00 H new ATOM 0 HH12 ARG A 719 -2.447 -3.555 -15.359 1.00 0.00 H new ATOM 0 HH21 ARG A 719 -5.426 -3.357 -17.233 1.00 0.00 H new ATOM 0 HH22 ARG A 719 -3.843 -2.636 -16.925 1.00 0.00 H new ATOM 1165 N GLU A 720 -0.163 -9.560 -13.390 1.00 0.00 N ATOM 1166 CA GLU A 720 0.947 -9.792 -12.473 1.00 0.00 C ATOM 1167 C GLU A 720 1.312 -8.512 -11.726 1.00 0.00 C ATOM 1168 O GLU A 720 1.558 -7.473 -12.338 1.00 0.00 O ATOM 1169 CB GLU A 720 2.166 -10.316 -13.235 1.00 0.00 C ATOM 1170 CG GLU A 720 2.170 -11.825 -13.412 1.00 0.00 C ATOM 1171 CD GLU A 720 3.019 -12.272 -14.587 1.00 0.00 C ATOM 1172 OE1 GLU A 720 2.544 -12.163 -15.737 1.00 0.00 O ATOM 1173 OE2 GLU A 720 4.157 -12.731 -14.356 1.00 0.00 O ATOM 0 H GLU A 720 0.095 -9.569 -14.377 1.00 0.00 H new ATOM 0 HA GLU A 720 0.633 -10.540 -11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 720 2.201 -9.843 -14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.071 -10.018 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 720 2.542 -12.293 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 720 1.147 -12.173 -13.554 1.00 0.00 H new ATOM 1180 N ILE A 721 1.345 -8.597 -10.400 1.00 0.00 N ATOM 1181 CA ILE A 721 1.680 -7.446 -9.570 1.00 0.00 C ATOM 1182 C ILE A 721 3.147 -7.476 -9.157 1.00 0.00 C ATOM 1183 O ILE A 721 3.785 -8.529 -9.169 1.00 0.00 O ATOM 1184 CB ILE A 721 0.803 -7.390 -8.306 1.00 0.00 C ATOM 1185 CG1 ILE A 721 1.124 -8.568 -7.383 1.00 0.00 C ATOM 1186 CG2 ILE A 721 -0.671 -7.392 -8.683 1.00 0.00 C ATOM 1187 CD1 ILE A 721 0.540 -8.425 -5.995 1.00 0.00 C ATOM 0 H ILE A 721 1.144 -9.450 -9.878 1.00 0.00 H new ATOM 0 HA ILE A 721 1.492 -6.557 -10.172 1.00 0.00 H new ATOM 0 HB ILE A 721 1.020 -6.465 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 721 0.747 -9.486 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 721 2.206 -8.673 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -1.278 -7.352 -7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -0.889 -6.524 -9.305 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -0.904 -8.302 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 721 0.808 -9.296 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 721 0.936 -7.525 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -0.545 -8.351 -6.063 1.00 0.00 H new ATOM 1199 N ASP A 722 3.676 -6.314 -8.789 1.00 0.00 N ATOM 1200 CA ASP A 722 5.068 -6.206 -8.368 1.00 0.00 C ATOM 1201 C ASP A 722 5.162 -5.827 -6.893 1.00 0.00 C ATOM 1202 O ASP A 722 5.032 -4.657 -6.533 1.00 0.00 O ATOM 1203 CB ASP A 722 5.803 -5.171 -9.221 1.00 0.00 C ATOM 1204 CG ASP A 722 6.175 -5.708 -10.589 1.00 0.00 C ATOM 1205 OD1 ASP A 722 7.219 -6.387 -10.697 1.00 0.00 O ATOM 1206 OD2 ASP A 722 5.423 -5.451 -11.552 1.00 0.00 O ATOM 0 H ASP A 722 3.162 -5.433 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 722 5.539 -7.179 -8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 722 5.174 -4.289 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 722 6.706 -4.851 -8.701 1.00 0.00 H new ATOM 1211 N VAL A 723 5.389 -6.825 -6.044 1.00 0.00 N ATOM 1212 CA VAL A 723 5.500 -6.596 -4.609 1.00 0.00 C ATOM 1213 C VAL A 723 6.960 -6.532 -4.174 1.00 0.00 C ATOM 1214 O VAL A 723 7.753 -7.419 -4.492 1.00 0.00 O ATOM 1215 CB VAL A 723 4.786 -7.701 -3.807 1.00 0.00 C ATOM 1216 CG1 VAL A 723 4.645 -7.296 -2.348 1.00 0.00 C ATOM 1217 CG2 VAL A 723 3.426 -8.006 -4.417 1.00 0.00 C ATOM 0 H VAL A 723 5.499 -7.799 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 723 5.020 -5.639 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 723 5.391 -8.607 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 723 4.138 -8.089 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 723 5.633 -7.131 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 723 4.062 -6.378 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 723 2.935 -8.789 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 723 2.811 -7.106 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 723 3.556 -8.342 -5.446 1.00 0.00 H new ATOM 1227 N ARG A 724 7.309 -5.477 -3.445 1.00 0.00 N ATOM 1228 CA ARG A 724 8.674 -5.296 -2.967 1.00 0.00 C ATOM 1229 C ARG A 724 8.689 -4.568 -1.626 1.00 0.00 C ATOM 1230 O ARG A 724 7.651 -4.114 -1.144 1.00 0.00 O ATOM 1231 CB ARG A 724 9.497 -4.514 -3.993 1.00 0.00 C ATOM 1232 CG ARG A 724 9.630 -5.220 -5.332 1.00 0.00 C ATOM 1233 CD ARG A 724 10.515 -4.437 -6.289 1.00 0.00 C ATOM 1234 NE ARG A 724 10.017 -3.082 -6.511 1.00 0.00 N ATOM 1235 CZ ARG A 724 10.592 -2.214 -7.336 1.00 0.00 C ATOM 1236 NH1 ARG A 724 11.678 -2.557 -8.014 1.00 0.00 N ATOM 1237 NH2 ARG A 724 10.079 -0.999 -7.485 1.00 0.00 N ATOM 0 H ARG A 724 6.665 -4.735 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 724 9.118 -6.282 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 724 9.035 -3.539 -4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 724 10.492 -4.333 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 724 10.048 -6.215 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 724 8.643 -5.353 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 724 11.528 -4.390 -5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 724 10.572 -4.963 -7.242 1.00 0.00 H new ATOM 0 HE ARG A 724 9.182 -2.786 -6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 724 12.075 -3.490 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 724 12.117 -1.888 -8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 724 9.243 -0.731 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 724 10.521 -0.333 -8.119 1.00 0.00 H new ATOM 1251 N ILE A 725 9.871 -4.462 -1.029 1.00 0.00 N ATOM 1252 CA ILE A 725 10.020 -3.790 0.255 1.00 0.00 C ATOM 1253 C ILE A 725 10.085 -2.276 0.079 1.00 0.00 C ATOM 1254 O ILE A 725 10.796 -1.772 -0.791 1.00 0.00 O ATOM 1255 CB ILE A 725 11.285 -4.263 0.995 1.00 0.00 C ATOM 1256 CG1 ILE A 725 11.137 -5.726 1.418 1.00 0.00 C ATOM 1257 CG2 ILE A 725 11.552 -3.381 2.206 1.00 0.00 C ATOM 1258 CD1 ILE A 725 10.017 -5.959 2.408 1.00 0.00 C ATOM 0 H ILE A 725 10.739 -4.833 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 725 9.143 -4.048 0.849 1.00 0.00 H new ATOM 0 HB ILE A 725 12.135 -4.184 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 725 10.960 -6.336 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.075 -6.066 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 725 12.449 -3.728 2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.696 -2.351 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.703 -3.432 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 725 9.971 -7.018 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 725 10.202 -5.376 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 725 9.070 -5.651 1.965 1.00 0.00 H new ATOM 1270 N ASP A 726 9.340 -1.557 0.911 1.00 0.00 N ATOM 1271 CA ASP A 726 9.315 -0.100 0.850 1.00 0.00 C ATOM 1272 C ASP A 726 10.462 0.498 1.658 1.00 0.00 C ATOM 1273 O ASP A 726 10.412 0.542 2.887 1.00 0.00 O ATOM 1274 CB ASP A 726 7.978 0.430 1.370 1.00 0.00 C ATOM 1275 CG ASP A 726 7.729 1.870 0.965 1.00 0.00 C ATOM 1276 OD1 ASP A 726 8.539 2.741 1.345 1.00 0.00 O ATOM 1277 OD2 ASP A 726 6.724 2.126 0.270 1.00 0.00 O ATOM 0 H ASP A 726 8.745 -1.959 1.636 1.00 0.00 H new ATOM 0 HA ASP A 726 9.435 0.197 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 726 7.170 -0.196 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 726 7.958 0.353 2.457 1.00 0.00 H new