USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 694 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 THR OG1 : rot 180:sc= -2.3 USER MOD Set 1.2: A 714 HIS : no HE2:sc= -5.65 K(o=-7.9,f=-1.8!) USER MOD Set 2.1: A 688 ASN : amide:sc= -11! C(o=-10!,f=-14!) USER MOD Set 2.2: A 692 SER OG : rot 141:sc= 0.835 USER MOD Set 3.1: A 657 MET CE :methyl 144:sc= -9.56! (180deg=-15.9!) USER MOD Set 3.2: A 664 SER OG : rot -10:sc= 0.729 USER MOD Single : A 650 CYS SG : rot 19:sc= 0.455 USER MOD Single : A 656 GLN : amide:sc= -0.618 K(o=-0.62,f=-0.11) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 LYS NZ :NH3+ 168:sc= -2.14 (180deg=-2.61) USER MOD Single : A 668 SER OG : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 180:sc= 0 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 GLN : amide:sc= -0.733 K(o=-0.73,f=-0.18) USER MOD Single : A 676 LYS NZ :NH3+ -159:sc= -4.24! (180deg=-5.34!) USER MOD Single : A 679 SER OG : rot 180:sc= 0 USER MOD Single : A 682 SER OG : rot 180:sc= 0 USER MOD Single : A 686 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 689 ASN : amide:sc= -5.74! C(o=-5.7!,f=-14!) USER MOD Single : A 696 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 702 GLN : amide:sc= -4.95 K(o=-5,f=-11!) USER MOD Single : A 715 SER OG : rot 180:sc= 0 USER MOD Single : A 717 ASN : amide:sc= -1.27! C(o=-1.3!,f=-4.5!) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 727 HIS : no HE2:sc= -20! C(o=-20!,f=-20!) USER MOD Single : A 733 GLN : amide:sc= -11! C(o=-11!,f=-22!) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 649 -19.138 3.190 -7.227 1.00 0.00 N ATOM 33 CA ASP A 649 -17.942 4.080 -7.248 1.00 0.00 C ATOM 34 C ASP A 649 -16.718 3.362 -6.672 1.00 0.00 C ATOM 35 O ASP A 649 -16.827 2.506 -5.815 1.00 0.00 O ATOM 36 CB ASP A 649 -18.347 5.277 -6.386 1.00 0.00 C ATOM 37 CG ASP A 649 -19.533 5.984 -7.048 1.00 0.00 C ATOM 38 OD1 ASP A 649 -19.474 6.204 -8.246 1.00 0.00 O ATOM 39 OD2 ASP A 649 -20.488 6.279 -6.348 1.00 0.00 O ATOM 0 HA ASP A 649 -17.659 4.380 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 649 -18.617 4.946 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 649 -17.509 5.966 -6.279 1.00 0.00 H new ATOM 44 N CYS A 650 -15.555 3.707 -7.161 1.00 0.00 N ATOM 45 CA CYS A 650 -14.296 3.067 -6.683 1.00 0.00 C ATOM 46 C CYS A 650 -13.195 4.113 -6.578 1.00 0.00 C ATOM 47 O CYS A 650 -13.209 5.117 -7.261 1.00 0.00 O ATOM 48 CB CYS A 650 -13.926 2.067 -7.778 1.00 0.00 C ATOM 49 SG CYS A 650 -13.589 2.965 -9.312 1.00 0.00 S ATOM 0 H CYS A 650 -15.424 4.416 -7.882 1.00 0.00 H new ATOM 0 HA CYS A 650 -14.418 2.600 -5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 650 -13.050 1.490 -7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 650 -14.739 1.357 -7.929 1.00 0.00 H new ATOM 0 HG CYS A 650 -13.347 4.213 -9.040 1.00 0.00 H new ATOM 55 N ARG A 651 -12.225 3.867 -5.756 1.00 0.00 N ATOM 56 CA ARG A 651 -11.101 4.824 -5.625 1.00 0.00 C ATOM 57 C ARG A 651 -9.819 4.087 -5.986 1.00 0.00 C ATOM 58 O ARG A 651 -9.752 2.876 -5.911 1.00 0.00 O ATOM 59 CB ARG A 651 -11.087 5.237 -4.159 1.00 0.00 C ATOM 60 CG ARG A 651 -12.470 5.741 -3.742 1.00 0.00 C ATOM 61 CD ARG A 651 -12.355 6.416 -2.380 1.00 0.00 C ATOM 62 NE ARG A 651 -13.669 6.198 -1.719 1.00 0.00 N ATOM 63 CZ ARG A 651 -13.736 5.400 -0.693 1.00 0.00 C ATOM 64 NH1 ARG A 651 -13.115 4.256 -0.736 1.00 0.00 N ATOM 65 NH2 ARG A 651 -14.405 5.744 0.375 1.00 0.00 N ATOM 0 H ARG A 651 -12.160 3.039 -5.164 1.00 0.00 H new ATOM 0 HA ARG A 651 -11.195 5.696 -6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 651 -10.797 4.390 -3.537 1.00 0.00 H new ATOM 0 HB3 ARG A 651 -10.344 6.018 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 651 -12.854 6.444 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 651 -13.176 4.912 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 651 -11.544 5.983 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 651 -12.140 7.479 -2.485 1.00 0.00 H new ATOM 0 HE ARG A 651 -14.506 6.667 -2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 651 -12.584 3.995 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 651 -13.159 3.621 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 651 -14.881 6.645 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 651 -14.451 5.111 1.174 1.00 0.00 H new ATOM 79 N ILE A 652 -8.809 4.781 -6.395 1.00 0.00 N ATOM 80 CA ILE A 652 -7.566 4.072 -6.773 1.00 0.00 C ATOM 81 C ILE A 652 -6.447 4.340 -5.755 1.00 0.00 C ATOM 82 O ILE A 652 -6.318 5.419 -5.216 1.00 0.00 O ATOM 83 CB ILE A 652 -7.261 4.625 -8.151 1.00 0.00 C ATOM 84 CG1 ILE A 652 -7.063 6.137 -8.063 1.00 0.00 C ATOM 85 CG2 ILE A 652 -8.467 4.338 -9.046 1.00 0.00 C ATOM 86 CD1 ILE A 652 -6.256 6.609 -9.267 1.00 0.00 C ATOM 0 H ILE A 652 -8.786 5.797 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 652 -7.662 2.986 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 652 -6.357 4.166 -8.552 1.00 0.00 H new ATOM 0 HG12 ILE A 652 -8.029 6.641 -8.038 1.00 0.00 H new ATOM 0 HG13 ILE A 652 -6.545 6.395 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 652 -8.277 4.725 -10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 652 -8.633 3.262 -9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 652 -9.351 4.822 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 652 -6.112 7.688 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 652 -5.285 6.113 -9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 652 -6.793 6.364 -10.183 1.00 0.00 H new ATOM 98 N ILE A 653 -5.668 3.332 -5.466 1.00 0.00 N ATOM 99 CA ILE A 653 -4.571 3.464 -4.448 1.00 0.00 C ATOM 100 C ILE A 653 -3.197 3.243 -5.096 1.00 0.00 C ATOM 101 O ILE A 653 -3.056 2.520 -6.060 1.00 0.00 O ATOM 102 CB ILE A 653 -4.883 2.394 -3.363 1.00 0.00 C ATOM 103 CG1 ILE A 653 -3.635 1.562 -3.027 1.00 0.00 C ATOM 104 CG2 ILE A 653 -5.973 1.442 -3.868 1.00 0.00 C ATOM 105 CD1 ILE A 653 -4.023 0.346 -2.177 1.00 0.00 C ATOM 0 H ILE A 653 -5.742 2.409 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 653 -4.532 4.462 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 653 -5.217 2.919 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 653 -3.150 1.233 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 653 -2.914 2.176 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 653 -6.187 0.695 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 653 -6.879 2.008 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 653 -5.630 0.945 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 653 -3.131 -0.236 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 653 -4.487 0.683 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 653 -4.727 -0.275 -2.731 1.00 0.00 H new ATOM 117 N ARG A 654 -2.189 3.870 -4.554 1.00 0.00 N ATOM 118 CA ARG A 654 -0.812 3.732 -5.101 1.00 0.00 C ATOM 119 C ARG A 654 0.194 3.629 -3.954 1.00 0.00 C ATOM 120 O ARG A 654 0.069 4.297 -2.953 1.00 0.00 O ATOM 121 CB ARG A 654 -0.564 5.019 -5.880 1.00 0.00 C ATOM 122 CG ARG A 654 -1.336 4.999 -7.200 1.00 0.00 C ATOM 123 CD ARG A 654 -2.680 5.712 -7.040 1.00 0.00 C ATOM 124 NE ARG A 654 -3.212 5.817 -8.423 1.00 0.00 N ATOM 125 CZ ARG A 654 -3.651 4.754 -9.038 1.00 0.00 C ATOM 126 NH1 ARG A 654 -3.718 3.612 -8.411 1.00 0.00 N ATOM 127 NH2 ARG A 654 -4.022 4.835 -10.283 1.00 0.00 N ATOM 0 H ARG A 654 -2.264 4.482 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 654 -0.705 2.842 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 654 -0.872 5.878 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 654 0.502 5.133 -6.076 1.00 0.00 H new ATOM 0 HG2 ARG A 654 -0.749 5.485 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 654 -1.499 3.969 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 654 -3.355 5.147 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 654 -2.556 6.695 -6.587 1.00 0.00 H new ATOM 0 HE ARG A 654 -3.234 6.722 -8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 654 -3.426 3.548 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 654 -4.062 2.783 -8.896 1.00 0.00 H new ATOM 0 HH21 ARG A 654 -3.969 5.727 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 654 -4.366 4.006 -10.768 1.00 0.00 H new ATOM 141 N VAL A 655 1.185 2.799 -4.072 1.00 0.00 N ATOM 142 CA VAL A 655 2.175 2.684 -2.962 1.00 0.00 C ATOM 143 C VAL A 655 3.579 2.658 -3.545 1.00 0.00 C ATOM 144 O VAL A 655 3.770 2.306 -4.682 1.00 0.00 O ATOM 145 CB VAL A 655 1.841 1.364 -2.273 1.00 0.00 C ATOM 146 CG1 VAL A 655 2.814 1.112 -1.121 1.00 0.00 C ATOM 147 CG2 VAL A 655 0.410 1.439 -1.735 1.00 0.00 C ATOM 0 H VAL A 655 1.356 2.198 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 655 2.133 3.518 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 655 1.928 0.545 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 655 2.567 0.168 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 655 3.832 1.066 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 655 2.738 1.923 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 655 0.158 0.501 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 655 0.332 2.259 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 655 -0.281 1.610 -2.561 1.00 0.00 H new ATOM 157 N GLN A 656 4.567 3.038 -2.798 1.00 0.00 N ATOM 158 CA GLN A 656 5.938 3.021 -3.372 1.00 0.00 C ATOM 159 C GLN A 656 6.909 2.342 -2.419 1.00 0.00 C ATOM 160 O GLN A 656 7.548 2.991 -1.617 1.00 0.00 O ATOM 161 CB GLN A 656 6.322 4.486 -3.541 1.00 0.00 C ATOM 162 CG GLN A 656 5.500 5.115 -4.666 1.00 0.00 C ATOM 163 CD GLN A 656 5.359 6.619 -4.414 1.00 0.00 C ATOM 164 OE1 GLN A 656 5.551 7.417 -5.310 1.00 0.00 O ATOM 165 NE2 GLN A 656 5.032 7.045 -3.221 1.00 0.00 N ATOM 0 H GLN A 656 4.492 3.355 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 656 5.971 2.472 -4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 656 6.151 5.025 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 656 7.385 4.568 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 656 5.984 4.940 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 656 4.516 4.650 -4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 656 4.870 6.377 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 656 4.939 8.045 -3.044 1.00 0.00 H new ATOM 174 N MET A 657 7.045 1.056 -2.498 1.00 0.00 N ATOM 175 CA MET A 657 8.006 0.378 -1.586 1.00 0.00 C ATOM 176 C MET A 657 9.411 0.432 -2.185 1.00 0.00 C ATOM 177 O MET A 657 9.633 0.015 -3.303 1.00 0.00 O ATOM 178 CB MET A 657 7.487 -1.047 -1.462 1.00 0.00 C ATOM 179 CG MET A 657 8.545 -1.923 -0.802 1.00 0.00 C ATOM 180 SD MET A 657 7.803 -3.513 -0.382 1.00 0.00 S ATOM 181 CE MET A 657 7.096 -3.853 -2.012 1.00 0.00 C ATOM 0 H MET A 657 6.542 0.447 -3.144 1.00 0.00 H new ATOM 0 HA MET A 657 8.078 0.851 -0.606 1.00 0.00 H new ATOM 0 HB2 MET A 657 6.570 -1.060 -0.872 1.00 0.00 H new ATOM 0 HB3 MET A 657 7.238 -1.441 -2.447 1.00 0.00 H new ATOM 0 HG2 MET A 657 9.390 -2.067 -1.476 1.00 0.00 H new ATOM 0 HG3 MET A 657 8.931 -1.438 0.095 1.00 0.00 H new ATOM 0 HE1 MET A 657 7.157 -4.921 -2.220 1.00 0.00 H new ATOM 0 HE2 MET A 657 6.052 -3.539 -2.028 1.00 0.00 H new ATOM 0 HE3 MET A 657 7.652 -3.303 -2.772 1.00 0.00 H new ATOM 191 N GLU A 658 10.353 0.980 -1.466 1.00 0.00 N ATOM 192 CA GLU A 658 11.735 1.105 -2.022 1.00 0.00 C ATOM 193 C GLU A 658 12.721 0.116 -1.372 1.00 0.00 C ATOM 194 O GLU A 658 13.863 0.452 -1.129 1.00 0.00 O ATOM 195 CB GLU A 658 12.128 2.553 -1.710 1.00 0.00 C ATOM 196 CG GLU A 658 12.921 3.152 -2.877 1.00 0.00 C ATOM 197 CD GLU A 658 13.122 4.648 -2.625 1.00 0.00 C ATOM 198 OE1 GLU A 658 12.536 5.150 -1.680 1.00 0.00 O ATOM 199 OE2 GLU A 658 13.850 5.268 -3.380 1.00 0.00 O ATOM 0 H GLU A 658 10.229 1.346 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 658 11.765 0.871 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 658 11.234 3.148 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 658 12.726 2.587 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 658 13.885 2.653 -2.973 1.00 0.00 H new ATOM 0 HG3 GLU A 658 12.387 2.996 -3.815 1.00 0.00 H new ATOM 206 N LEU A 659 12.293 -1.078 -1.036 1.00 0.00 N ATOM 207 CA LEU A 659 13.236 -2.028 -0.354 1.00 0.00 C ATOM 208 C LEU A 659 12.888 -3.499 -0.650 1.00 0.00 C ATOM 209 O LEU A 659 11.787 -3.815 -1.043 1.00 0.00 O ATOM 210 CB LEU A 659 13.027 -1.732 1.124 1.00 0.00 C ATOM 211 CG LEU A 659 14.192 -2.292 1.953 1.00 0.00 C ATOM 212 CD1 LEU A 659 15.524 -1.899 1.298 1.00 0.00 C ATOM 213 CD2 LEU A 659 14.123 -1.694 3.366 1.00 0.00 C ATOM 0 H LEU A 659 11.351 -1.433 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 659 14.264 -1.895 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 659 12.947 -0.656 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 659 12.088 -2.173 1.460 1.00 0.00 H new ATOM 0 HG LEU A 659 14.123 -3.379 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 659 16.350 -2.297 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 659 15.568 -2.308 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 659 15.601 -0.813 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 659 14.945 -2.083 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 659 14.200 -0.608 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 659 13.175 -1.965 3.830 1.00 0.00 H new ATOM 225 N GLY A 660 13.814 -4.403 -0.450 1.00 0.00 N ATOM 226 CA GLY A 660 13.522 -5.845 -0.712 1.00 0.00 C ATOM 227 C GLY A 660 14.750 -6.504 -1.344 1.00 0.00 C ATOM 228 O GLY A 660 15.727 -5.847 -1.642 1.00 0.00 O ATOM 0 H GLY A 660 14.758 -4.205 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 660 13.263 -6.350 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 660 12.663 -5.939 -1.376 1.00 0.00 H new ATOM 232 N GLU A 661 14.705 -7.789 -1.593 1.00 0.00 N ATOM 233 CA GLU A 661 15.879 -8.422 -2.245 1.00 0.00 C ATOM 234 C GLU A 661 16.067 -7.726 -3.581 1.00 0.00 C ATOM 235 O GLU A 661 17.171 -7.433 -3.993 1.00 0.00 O ATOM 236 CB GLU A 661 15.522 -9.896 -2.435 1.00 0.00 C ATOM 237 CG GLU A 661 14.269 -10.021 -3.304 1.00 0.00 C ATOM 238 CD GLU A 661 13.913 -11.499 -3.478 1.00 0.00 C ATOM 239 OE1 GLU A 661 14.328 -12.292 -2.647 1.00 0.00 O ATOM 240 OE2 GLU A 661 13.228 -11.814 -4.439 1.00 0.00 O ATOM 0 H GLU A 661 13.925 -8.410 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 661 16.800 -8.341 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 661 16.354 -10.423 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 661 15.352 -10.366 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 661 13.438 -9.488 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 661 14.441 -9.561 -4.277 1.00 0.00 H new ATOM 247 N ASP A 662 14.989 -7.400 -4.235 1.00 0.00 N ATOM 248 CA ASP A 662 15.113 -6.653 -5.509 1.00 0.00 C ATOM 249 C ASP A 662 14.624 -5.223 -5.289 1.00 0.00 C ATOM 250 O ASP A 662 15.091 -4.290 -5.910 1.00 0.00 O ATOM 251 CB ASP A 662 14.244 -7.391 -6.523 1.00 0.00 C ATOM 252 CG ASP A 662 14.911 -8.722 -6.870 1.00 0.00 C ATOM 253 OD1 ASP A 662 15.966 -8.991 -6.317 1.00 0.00 O ATOM 254 OD2 ASP A 662 14.358 -9.450 -7.677 1.00 0.00 O ATOM 0 H ASP A 662 14.036 -7.618 -3.943 1.00 0.00 H new ATOM 0 HA ASP A 662 16.141 -6.599 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 662 13.249 -7.564 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 662 14.117 -6.787 -7.422 1.00 0.00 H new ATOM 259 N GLY A 663 13.698 -5.053 -4.380 1.00 0.00 N ATOM 260 CA GLY A 663 13.170 -3.701 -4.060 1.00 0.00 C ATOM 261 C GLY A 663 12.407 -3.118 -5.247 1.00 0.00 C ATOM 262 O GLY A 663 12.739 -3.331 -6.397 1.00 0.00 O ATOM 0 H GLY A 663 13.281 -5.810 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 663 12.512 -3.759 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 663 13.993 -3.039 -3.791 1.00 0.00 H new ATOM 266 N SER A 664 11.392 -2.361 -4.954 1.00 0.00 N ATOM 267 CA SER A 664 10.585 -1.715 -6.023 1.00 0.00 C ATOM 268 C SER A 664 10.597 -0.209 -5.778 1.00 0.00 C ATOM 269 O SER A 664 11.287 0.264 -4.906 1.00 0.00 O ATOM 270 CB SER A 664 9.170 -2.273 -5.857 1.00 0.00 C ATOM 271 OG SER A 664 8.640 -1.847 -4.609 1.00 0.00 O ATOM 0 H SER A 664 11.081 -2.159 -4.004 1.00 0.00 H new ATOM 0 HA SER A 664 10.965 -1.906 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 664 8.533 -1.929 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 664 9.188 -3.362 -5.905 1.00 0.00 H new ATOM 0 HG SER A 664 9.351 -1.433 -4.076 1.00 0.00 H new ATOM 277 N VAL A 665 9.859 0.553 -6.525 1.00 0.00 N ATOM 278 CA VAL A 665 9.862 2.027 -6.286 1.00 0.00 C ATOM 279 C VAL A 665 8.467 2.602 -6.493 1.00 0.00 C ATOM 280 O VAL A 665 8.286 3.802 -6.574 1.00 0.00 O ATOM 281 CB VAL A 665 10.823 2.599 -7.323 1.00 0.00 C ATOM 282 CG1 VAL A 665 12.240 2.132 -7.008 1.00 0.00 C ATOM 283 CG2 VAL A 665 10.418 2.106 -8.712 1.00 0.00 C ATOM 0 H VAL A 665 9.258 0.230 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 665 10.163 2.272 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 665 10.786 3.688 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 665 12.930 2.539 -7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 665 12.525 2.480 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 665 12.279 1.043 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 665 11.103 2.513 -9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 665 10.459 1.017 -8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 665 9.403 2.436 -8.934 1.00 0.00 H new ATOM 293 N TYR A 666 7.482 1.758 -6.608 1.00 0.00 N ATOM 294 CA TYR A 666 6.108 2.272 -6.841 1.00 0.00 C ATOM 295 C TYR A 666 5.077 1.142 -6.765 1.00 0.00 C ATOM 296 O TYR A 666 5.408 -0.023 -6.662 1.00 0.00 O ATOM 297 CB TYR A 666 6.158 2.790 -8.274 1.00 0.00 C ATOM 298 CG TYR A 666 6.191 1.589 -9.195 1.00 0.00 C ATOM 299 CD1 TYR A 666 7.374 0.859 -9.362 1.00 0.00 C ATOM 300 CD2 TYR A 666 5.020 1.180 -9.842 1.00 0.00 C ATOM 301 CE1 TYR A 666 7.382 -0.274 -10.179 1.00 0.00 C ATOM 302 CE2 TYR A 666 5.029 0.051 -10.662 1.00 0.00 C ATOM 303 CZ TYR A 666 6.211 -0.678 -10.832 1.00 0.00 C ATOM 304 OH TYR A 666 6.221 -1.796 -11.640 1.00 0.00 O ATOM 0 H TYR A 666 7.568 0.743 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 666 5.821 3.021 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 666 5.288 3.412 -8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 666 7.040 3.413 -8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.278 1.171 -8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 666 4.106 1.740 -9.706 1.00 0.00 H new ATOM 0 HE1 TYR A 666 8.293 -0.840 -10.307 1.00 0.00 H new ATOM 0 HE2 TYR A 666 4.125 -0.260 -11.165 1.00 0.00 H new ATOM 0 HH TYR A 666 5.327 -1.936 -12.015 1.00 0.00 H new ATOM 314 N LYS A 667 3.833 1.496 -6.876 1.00 0.00 N ATOM 315 CA LYS A 667 2.748 0.482 -6.883 1.00 0.00 C ATOM 316 C LYS A 667 1.436 1.156 -7.289 1.00 0.00 C ATOM 317 O LYS A 667 1.190 2.295 -6.945 1.00 0.00 O ATOM 318 CB LYS A 667 2.658 -0.060 -5.463 1.00 0.00 C ATOM 319 CG LYS A 667 1.678 -1.229 -5.458 1.00 0.00 C ATOM 320 CD LYS A 667 0.428 -0.854 -4.664 1.00 0.00 C ATOM 321 CE LYS A 667 0.424 -1.649 -3.362 1.00 0.00 C ATOM 322 NZ LYS A 667 -1.007 -1.785 -2.981 1.00 0.00 N ATOM 0 H LYS A 667 3.516 2.461 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 667 2.944 -0.325 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 667 3.639 -0.386 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 667 2.322 0.720 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 667 1.405 -1.491 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 667 2.149 -2.108 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 667 0.419 0.216 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -0.469 -1.073 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 667 0.888 -2.626 -3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 667 0.989 -1.133 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -1.098 -2.485 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -1.368 -0.866 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -1.557 -2.099 -3.806 1.00 0.00 H new ATOM 336 N SER A 668 0.589 0.479 -8.011 1.00 0.00 N ATOM 337 CA SER A 668 -0.700 1.112 -8.415 1.00 0.00 C ATOM 338 C SER A 668 -1.837 0.070 -8.446 1.00 0.00 C ATOM 339 O SER A 668 -1.760 -0.923 -9.144 1.00 0.00 O ATOM 340 CB SER A 668 -0.425 1.692 -9.805 1.00 0.00 C ATOM 341 OG SER A 668 -1.577 2.400 -10.247 1.00 0.00 O ATOM 0 H SER A 668 0.729 -0.477 -8.338 1.00 0.00 H new ATOM 0 HA SER A 668 -1.027 1.881 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 668 0.437 2.359 -9.771 1.00 0.00 H new ATOM 0 HB3 SER A 668 -0.182 0.893 -10.505 1.00 0.00 H new ATOM 0 HG SER A 668 -1.409 2.776 -11.136 1.00 0.00 H new ATOM 347 N ILE A 669 -2.894 0.284 -7.697 1.00 0.00 N ATOM 348 CA ILE A 669 -4.017 -0.708 -7.699 1.00 0.00 C ATOM 349 C ILE A 669 -5.378 -0.005 -7.630 1.00 0.00 C ATOM 350 O ILE A 669 -5.495 1.093 -7.129 1.00 0.00 O ATOM 351 CB ILE A 669 -3.802 -1.569 -6.460 1.00 0.00 C ATOM 352 CG1 ILE A 669 -4.789 -2.735 -6.497 1.00 0.00 C ATOM 353 CG2 ILE A 669 -4.052 -0.729 -5.210 1.00 0.00 C ATOM 354 CD1 ILE A 669 -4.126 -3.995 -5.939 1.00 0.00 C ATOM 0 H ILE A 669 -3.027 1.093 -7.091 1.00 0.00 H new ATOM 0 HA ILE A 669 -4.020 -1.300 -8.614 1.00 0.00 H new ATOM 0 HB ILE A 669 -2.780 -1.948 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 669 -5.676 -2.491 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 669 -5.120 -2.910 -7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 669 -3.899 -1.343 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 669 -3.360 0.113 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 669 -5.076 -0.356 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 669 -4.835 -4.822 -5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 669 -3.253 -4.244 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 669 -3.817 -3.818 -4.909 1.00 0.00 H new ATOM 366 N LEU A 670 -6.406 -0.640 -8.137 1.00 0.00 N ATOM 367 CA LEU A 670 -7.770 -0.022 -8.118 1.00 0.00 C ATOM 368 C LEU A 670 -8.546 -0.448 -6.852 1.00 0.00 C ATOM 369 O LEU A 670 -8.597 -1.612 -6.506 1.00 0.00 O ATOM 370 CB LEU A 670 -8.441 -0.554 -9.397 1.00 0.00 C ATOM 371 CG LEU A 670 -9.802 0.103 -9.585 1.00 0.00 C ATOM 372 CD1 LEU A 670 -10.778 -0.471 -8.564 1.00 0.00 C ATOM 373 CD2 LEU A 670 -9.659 1.611 -9.385 1.00 0.00 C ATOM 0 H LEU A 670 -6.359 -1.564 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 670 -7.741 1.067 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 670 -7.808 -0.351 -10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -8.556 -1.636 -9.334 1.00 0.00 H new ATOM 0 HG LEU A 670 -10.179 -0.092 -10.589 1.00 0.00 H new ATOM 0 HD11 LEU A 670 -11.755 -0.005 -8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 670 -10.867 -1.547 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -10.411 -0.272 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 670 -10.629 2.089 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -9.291 1.811 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 670 -8.955 2.010 -10.115 1.00 0.00 H new ATOM 385 N VAL A 671 -9.143 0.494 -6.157 1.00 0.00 N ATOM 386 CA VAL A 671 -9.907 0.154 -4.913 1.00 0.00 C ATOM 387 C VAL A 671 -11.390 0.475 -5.094 1.00 0.00 C ATOM 388 O VAL A 671 -11.763 1.347 -5.851 1.00 0.00 O ATOM 389 CB VAL A 671 -9.308 1.055 -3.803 1.00 0.00 C ATOM 390 CG1 VAL A 671 -10.407 1.759 -3.001 1.00 0.00 C ATOM 391 CG2 VAL A 671 -8.486 0.218 -2.833 1.00 0.00 C ATOM 0 H VAL A 671 -9.134 1.485 -6.399 1.00 0.00 H new ATOM 0 HA VAL A 671 -9.830 -0.906 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 671 -8.683 1.800 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 671 -9.953 2.383 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 671 -11.002 2.382 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 671 -11.049 1.014 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 671 -8.071 0.862 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 671 -9.124 -0.537 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 671 -7.674 -0.271 -3.372 1.00 0.00 H new ATOM 401 N THR A 672 -12.225 -0.184 -4.349 1.00 0.00 N ATOM 402 CA THR A 672 -13.675 0.115 -4.408 1.00 0.00 C ATOM 403 C THR A 672 -14.001 0.977 -3.194 1.00 0.00 C ATOM 404 O THR A 672 -13.212 1.078 -2.275 1.00 0.00 O ATOM 405 CB THR A 672 -14.390 -1.238 -4.336 1.00 0.00 C ATOM 406 OG1 THR A 672 -14.001 -2.039 -5.448 1.00 0.00 O ATOM 407 CG2 THR A 672 -15.904 -1.015 -4.355 1.00 0.00 C ATOM 0 H THR A 672 -11.962 -0.923 -3.697 1.00 0.00 H new ATOM 0 HA THR A 672 -13.979 0.646 -5.310 1.00 0.00 H new ATOM 0 HB THR A 672 -14.116 -1.750 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 672 -14.456 -2.906 -5.402 1.00 0.00 H new ATOM 0 HG21 THR A 672 -16.414 -1.977 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 672 -16.193 -0.405 -3.499 1.00 0.00 H new ATOM 0 HG23 THR A 672 -16.185 -0.504 -5.276 1.00 0.00 H new ATOM 415 N SER A 673 -15.125 1.615 -3.170 1.00 0.00 N ATOM 416 CA SER A 673 -15.439 2.476 -1.998 1.00 0.00 C ATOM 417 C SER A 673 -15.342 1.708 -0.678 1.00 0.00 C ATOM 418 O SER A 673 -15.016 2.279 0.342 1.00 0.00 O ATOM 419 CB SER A 673 -16.867 2.953 -2.238 1.00 0.00 C ATOM 420 OG SER A 673 -17.286 3.751 -1.140 1.00 0.00 O ATOM 0 H SER A 673 -15.837 1.583 -3.899 1.00 0.00 H new ATOM 0 HA SER A 673 -14.729 3.299 -1.910 1.00 0.00 H new ATOM 0 HB2 SER A 673 -16.920 3.529 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 673 -17.533 2.098 -2.356 1.00 0.00 H new ATOM 0 HG SER A 673 -18.203 4.061 -1.292 1.00 0.00 H new ATOM 426 N GLN A 674 -15.659 0.443 -0.657 1.00 0.00 N ATOM 427 CA GLN A 674 -15.610 -0.292 0.643 1.00 0.00 C ATOM 428 C GLN A 674 -14.513 -1.371 0.683 1.00 0.00 C ATOM 429 O GLN A 674 -14.551 -2.261 1.507 1.00 0.00 O ATOM 430 CB GLN A 674 -16.990 -0.925 0.736 1.00 0.00 C ATOM 431 CG GLN A 674 -18.022 0.197 0.723 1.00 0.00 C ATOM 432 CD GLN A 674 -19.058 -0.045 -0.379 1.00 0.00 C ATOM 433 OE1 GLN A 674 -20.234 0.193 -0.183 1.00 0.00 O ATOM 434 NE2 GLN A 674 -18.674 -0.504 -1.541 1.00 0.00 N ATOM 0 H GLN A 674 -15.945 -0.108 -1.467 1.00 0.00 H new ATOM 0 HA GLN A 674 -15.369 0.371 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 674 -17.155 -1.605 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 674 -17.079 -1.514 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 674 -18.518 0.255 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 674 -17.526 1.154 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 674 -17.688 -0.705 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 674 -19.360 -0.661 -2.279 1.00 0.00 H new ATOM 443 N ASP A 675 -13.571 -1.338 -0.216 1.00 0.00 N ATOM 444 CA ASP A 675 -12.522 -2.417 -0.231 1.00 0.00 C ATOM 445 C ASP A 675 -11.195 -1.994 0.433 1.00 0.00 C ATOM 446 O ASP A 675 -10.596 -1.001 0.064 1.00 0.00 O ATOM 447 CB ASP A 675 -12.275 -2.702 -1.705 1.00 0.00 C ATOM 448 CG ASP A 675 -11.323 -3.891 -1.822 1.00 0.00 C ATOM 449 OD1 ASP A 675 -10.869 -4.359 -0.789 1.00 0.00 O ATOM 450 OD2 ASP A 675 -11.062 -4.312 -2.937 1.00 0.00 O ATOM 0 H ASP A 675 -13.474 -0.623 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 675 -12.871 -3.280 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 675 -13.216 -2.920 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 675 -11.847 -1.826 -2.193 1.00 0.00 H new ATOM 455 N LYS A 676 -10.710 -2.770 1.381 1.00 0.00 N ATOM 456 CA LYS A 676 -9.403 -2.441 2.033 1.00 0.00 C ATOM 457 C LYS A 676 -8.259 -3.021 1.193 1.00 0.00 C ATOM 458 O LYS A 676 -8.014 -4.213 1.192 1.00 0.00 O ATOM 459 CB LYS A 676 -9.445 -3.136 3.392 1.00 0.00 C ATOM 460 CG LYS A 676 -10.762 -2.809 4.096 1.00 0.00 C ATOM 461 CD LYS A 676 -10.955 -1.293 4.169 1.00 0.00 C ATOM 462 CE LYS A 676 -12.424 -0.988 4.478 1.00 0.00 C ATOM 463 NZ LYS A 676 -13.173 -1.477 3.292 1.00 0.00 N ATOM 0 H LYS A 676 -11.165 -3.614 1.728 1.00 0.00 H new ATOM 0 HA LYS A 676 -9.246 -1.367 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -9.348 -4.214 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -8.604 -2.811 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -11.594 -3.264 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -10.762 -3.232 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -10.313 -0.869 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -10.666 -0.831 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -12.750 -1.493 5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -12.582 0.079 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -14.100 -1.007 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -12.635 -1.261 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -13.309 -2.505 3.367 1.00 0.00 H new ATOM 477 N ALA A 677 -7.570 -2.191 0.464 1.00 0.00 N ATOM 478 CA ALA A 677 -6.463 -2.689 -0.398 1.00 0.00 C ATOM 479 C ALA A 677 -5.040 -2.288 0.075 1.00 0.00 C ATOM 480 O ALA A 677 -4.101 -2.516 -0.661 1.00 0.00 O ATOM 481 CB ALA A 677 -6.770 -2.040 -1.742 1.00 0.00 C ATOM 0 H ALA A 677 -7.726 -1.184 0.427 1.00 0.00 H new ATOM 0 HA ALA A 677 -6.433 -3.779 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 677 -6.014 -2.335 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 677 -7.752 -2.364 -2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 677 -6.764 -0.956 -1.632 1.00 0.00 H new ATOM 487 N PRO A 678 -4.871 -1.720 1.259 1.00 0.00 N ATOM 488 CA PRO A 678 -3.502 -1.350 1.689 1.00 0.00 C ATOM 489 C PRO A 678 -2.628 -2.599 1.748 1.00 0.00 C ATOM 490 O PRO A 678 -1.415 -2.531 1.690 1.00 0.00 O ATOM 491 CB PRO A 678 -3.720 -0.792 3.095 1.00 0.00 C ATOM 492 CG PRO A 678 -5.220 -0.852 3.423 1.00 0.00 C ATOM 493 CD PRO A 678 -5.967 -1.434 2.218 1.00 0.00 C ATOM 0 HA PRO A 678 -3.008 -0.646 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 678 -3.151 -1.370 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 678 -3.361 0.236 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 678 -5.389 -1.469 4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 678 -5.596 0.145 3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 678 -6.519 -2.336 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 678 -6.688 -0.727 1.809 1.00 0.00 H new ATOM 501 N SER A 679 -3.249 -3.738 1.912 1.00 0.00 N ATOM 502 CA SER A 679 -2.481 -5.013 2.030 1.00 0.00 C ATOM 503 C SER A 679 -2.416 -5.774 0.702 1.00 0.00 C ATOM 504 O SER A 679 -1.874 -6.860 0.637 1.00 0.00 O ATOM 505 CB SER A 679 -3.257 -5.809 3.073 1.00 0.00 C ATOM 506 OG SER A 679 -3.186 -5.120 4.318 1.00 0.00 O ATOM 0 H SER A 679 -4.262 -3.840 1.970 1.00 0.00 H new ATOM 0 HA SER A 679 -1.441 -4.838 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 679 -4.296 -5.925 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 679 -2.840 -6.811 3.171 1.00 0.00 H new ATOM 0 HG SER A 679 -3.683 -5.621 4.998 1.00 0.00 H new ATOM 512 N VAL A 680 -2.956 -5.227 -0.356 1.00 0.00 N ATOM 513 CA VAL A 680 -2.898 -5.958 -1.660 1.00 0.00 C ATOM 514 C VAL A 680 -1.453 -6.023 -2.141 1.00 0.00 C ATOM 515 O VAL A 680 -1.059 -6.959 -2.802 1.00 0.00 O ATOM 516 CB VAL A 680 -3.771 -5.184 -2.655 1.00 0.00 C ATOM 517 CG1 VAL A 680 -5.083 -4.779 -1.994 1.00 0.00 C ATOM 518 CG2 VAL A 680 -3.042 -3.931 -3.140 1.00 0.00 C ATOM 0 H VAL A 680 -3.427 -4.322 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 680 -3.263 -6.980 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 680 -3.977 -5.831 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 680 -5.696 -4.230 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 680 -5.617 -5.672 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 680 -4.876 -4.145 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 680 -3.674 -3.392 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 680 -2.818 -3.288 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 680 -2.113 -4.218 -3.632 1.00 0.00 H new ATOM 528 N ILE A 681 -0.643 -5.057 -1.808 1.00 0.00 N ATOM 529 CA ILE A 681 0.771 -5.146 -2.263 1.00 0.00 C ATOM 530 C ILE A 681 1.317 -6.493 -1.796 1.00 0.00 C ATOM 531 O ILE A 681 2.175 -7.089 -2.417 1.00 0.00 O ATOM 532 CB ILE A 681 1.524 -3.997 -1.592 1.00 0.00 C ATOM 533 CG1 ILE A 681 2.840 -3.769 -2.329 1.00 0.00 C ATOM 534 CG2 ILE A 681 1.835 -4.333 -0.132 1.00 0.00 C ATOM 535 CD1 ILE A 681 3.575 -2.601 -1.678 1.00 0.00 C ATOM 0 H ILE A 681 -0.888 -4.234 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 681 0.874 -5.073 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 681 0.901 -3.104 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 681 3.454 -4.669 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 681 2.651 -3.556 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 681 2.371 -3.502 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 681 0.904 -4.506 0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 681 2.452 -5.231 -0.089 1.00 0.00 H new ATOM 0 HD11 ILE A 681 4.518 -2.429 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 681 2.959 -1.704 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 681 3.774 -2.834 -0.632 1.00 0.00 H new ATOM 547 N SER A 682 0.806 -6.974 -0.692 1.00 0.00 N ATOM 548 CA SER A 682 1.258 -8.287 -0.159 1.00 0.00 C ATOM 549 C SER A 682 0.976 -9.405 -1.168 1.00 0.00 C ATOM 550 O SER A 682 1.841 -10.203 -1.467 1.00 0.00 O ATOM 551 CB SER A 682 0.429 -8.494 1.110 1.00 0.00 C ATOM 552 OG SER A 682 0.928 -9.619 1.824 1.00 0.00 O ATOM 0 H SER A 682 0.090 -6.507 -0.135 1.00 0.00 H new ATOM 0 HA SER A 682 2.330 -8.305 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 682 0.474 -7.603 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 682 -0.619 -8.649 0.852 1.00 0.00 H new ATOM 0 HG SER A 682 0.398 -9.751 2.638 1.00 0.00 H new ATOM 558 N ARG A 683 -0.218 -9.488 -1.707 1.00 0.00 N ATOM 559 CA ARG A 683 -0.463 -10.591 -2.686 1.00 0.00 C ATOM 560 C ARG A 683 0.326 -10.332 -3.974 1.00 0.00 C ATOM 561 O ARG A 683 1.000 -11.213 -4.487 1.00 0.00 O ATOM 562 CB ARG A 683 -1.968 -10.643 -2.941 1.00 0.00 C ATOM 563 CG ARG A 683 -2.457 -9.366 -3.609 1.00 0.00 C ATOM 564 CD ARG A 683 -3.917 -9.568 -4.006 1.00 0.00 C ATOM 565 NE ARG A 683 -4.651 -9.571 -2.711 1.00 0.00 N ATOM 566 CZ ARG A 683 -5.955 -9.587 -2.694 1.00 0.00 C ATOM 567 NH1 ARG A 683 -6.623 -8.469 -2.735 1.00 0.00 N ATOM 568 NH2 ARG A 683 -6.593 -10.720 -2.623 1.00 0.00 N ATOM 0 H ARG A 683 -1.005 -8.866 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 683 -0.125 -11.552 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 683 -2.203 -11.500 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 683 -2.495 -10.788 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 683 -2.361 -8.520 -2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 683 -1.852 -9.140 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 683 -4.266 -8.769 -4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 683 -4.057 -10.505 -4.545 1.00 0.00 H new ATOM 0 HE ARG A 683 -4.132 -9.560 -1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 683 -6.126 -7.579 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 683 -7.643 -8.483 -2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 683 -6.073 -11.596 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 683 -7.613 -10.731 -2.610 1.00 0.00 H new ATOM 582 N VAL A 684 0.307 -9.126 -4.482 1.00 0.00 N ATOM 583 CA VAL A 684 1.117 -8.854 -5.703 1.00 0.00 C ATOM 584 C VAL A 684 2.590 -9.021 -5.334 1.00 0.00 C ATOM 585 O VAL A 684 3.428 -9.249 -6.179 1.00 0.00 O ATOM 586 CB VAL A 684 0.839 -7.411 -6.124 1.00 0.00 C ATOM 587 CG1 VAL A 684 -0.583 -7.284 -6.655 1.00 0.00 C ATOM 588 CG2 VAL A 684 1.025 -6.501 -4.933 1.00 0.00 C ATOM 0 H VAL A 684 -0.222 -8.336 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 684 0.869 -9.532 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 684 1.533 -7.126 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 684 -0.770 -6.252 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 684 -0.709 -7.938 -7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 684 -1.289 -7.571 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 684 0.828 -5.470 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 684 0.333 -6.791 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 684 2.049 -6.584 -4.568 1.00 0.00 H new ATOM 598 N LEU A 685 2.901 -8.892 -4.061 1.00 0.00 N ATOM 599 CA LEU A 685 4.320 -9.029 -3.610 1.00 0.00 C ATOM 600 C LEU A 685 4.887 -10.364 -4.057 1.00 0.00 C ATOM 601 O LEU A 685 5.908 -10.422 -4.703 1.00 0.00 O ATOM 602 CB LEU A 685 4.288 -8.982 -2.076 1.00 0.00 C ATOM 603 CG LEU A 685 5.328 -7.975 -1.550 1.00 0.00 C ATOM 604 CD1 LEU A 685 6.604 -8.016 -2.400 1.00 0.00 C ATOM 605 CD2 LEU A 685 4.740 -6.564 -1.602 1.00 0.00 C ATOM 0 H LEU A 685 2.230 -8.698 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 685 4.942 -8.239 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 685 3.292 -8.698 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 685 4.494 -9.973 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 685 5.579 -8.242 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 685 7.324 -7.297 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 685 7.034 -9.017 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 685 6.362 -7.764 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 685 5.475 -5.850 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 685 4.481 -6.315 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 685 3.845 -6.520 -0.982 1.00 0.00 H new ATOM 617 N LYS A 686 4.234 -11.437 -3.739 1.00 0.00 N ATOM 618 CA LYS A 686 4.763 -12.750 -4.173 1.00 0.00 C ATOM 619 C LYS A 686 4.711 -12.833 -5.686 1.00 0.00 C ATOM 620 O LYS A 686 5.677 -13.190 -6.333 1.00 0.00 O ATOM 621 CB LYS A 686 3.826 -13.763 -3.540 1.00 0.00 C ATOM 622 CG LYS A 686 4.139 -13.850 -2.050 1.00 0.00 C ATOM 623 CD LYS A 686 5.222 -14.908 -1.835 1.00 0.00 C ATOM 624 CE LYS A 686 5.538 -15.055 -0.347 1.00 0.00 C ATOM 625 NZ LYS A 686 6.539 -16.156 -0.295 1.00 0.00 N ATOM 0 H LYS A 686 3.366 -11.464 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 686 5.798 -12.919 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 686 2.789 -13.465 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 686 3.950 -14.739 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 686 4.477 -12.883 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 686 3.241 -14.110 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 686 4.890 -15.864 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 686 6.125 -14.629 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 686 5.940 -14.131 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 686 4.645 -15.301 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 686 6.815 -16.327 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 686 6.123 -17.022 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 686 7.378 -15.889 -0.848 1.00 0.00 H new ATOM 639 N LYS A 687 3.599 -12.475 -6.260 1.00 0.00 N ATOM 640 CA LYS A 687 3.506 -12.511 -7.743 1.00 0.00 C ATOM 641 C LYS A 687 4.543 -11.560 -8.347 1.00 0.00 C ATOM 642 O LYS A 687 5.131 -11.841 -9.369 1.00 0.00 O ATOM 643 CB LYS A 687 2.081 -12.056 -8.076 1.00 0.00 C ATOM 644 CG LYS A 687 1.860 -12.125 -9.589 1.00 0.00 C ATOM 645 CD LYS A 687 0.692 -13.072 -9.890 1.00 0.00 C ATOM 646 CE LYS A 687 0.353 -13.002 -11.381 1.00 0.00 C ATOM 647 NZ LYS A 687 -0.790 -13.940 -11.577 1.00 0.00 N ATOM 0 H LYS A 687 2.759 -12.162 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 687 3.706 -13.503 -8.149 1.00 0.00 H new ATOM 0 HB2 LYS A 687 1.357 -12.689 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 687 1.921 -11.038 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 687 1.647 -11.131 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 687 2.765 -12.477 -10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 687 0.956 -14.093 -9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -0.178 -12.795 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 687 0.082 -11.988 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 687 1.208 -13.293 -11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -1.072 -13.940 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -0.503 -14.900 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -1.594 -13.635 -10.991 1.00 0.00 H new ATOM 661 N ASN A 688 4.766 -10.427 -7.732 1.00 0.00 N ATOM 662 CA ASN A 688 5.751 -9.462 -8.300 1.00 0.00 C ATOM 663 C ASN A 688 7.015 -9.360 -7.418 1.00 0.00 C ATOM 664 O ASN A 688 7.739 -8.381 -7.461 1.00 0.00 O ATOM 665 CB ASN A 688 4.962 -8.142 -8.401 1.00 0.00 C ATOM 666 CG ASN A 688 5.245 -7.219 -7.217 1.00 0.00 C ATOM 667 OD1 ASN A 688 5.418 -6.028 -7.391 1.00 0.00 O ATOM 668 ND2 ASN A 688 5.291 -7.705 -6.014 1.00 0.00 N ATOM 0 H ASN A 688 4.312 -10.131 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 688 6.140 -9.764 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 688 5.223 -7.633 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 688 3.895 -8.359 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 688 5.471 -7.089 -5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 688 5.147 -8.703 -5.861 1.00 0.00 H new ATOM 675 N ASN A 689 7.302 -10.393 -6.656 1.00 0.00 N ATOM 676 CA ASN A 689 8.536 -10.400 -5.804 1.00 0.00 C ATOM 677 C ASN A 689 9.767 -10.657 -6.663 1.00 0.00 C ATOM 678 O ASN A 689 10.887 -10.512 -6.218 1.00 0.00 O ATOM 679 CB ASN A 689 8.379 -11.567 -4.829 1.00 0.00 C ATOM 680 CG ASN A 689 8.182 -12.878 -5.600 1.00 0.00 C ATOM 681 OD1 ASN A 689 8.364 -12.932 -6.802 1.00 0.00 O ATOM 682 ND2 ASN A 689 7.820 -13.948 -4.942 1.00 0.00 N ATOM 0 H ASN A 689 6.731 -11.235 -6.588 1.00 0.00 H new ATOM 0 HA ASN A 689 8.657 -9.444 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 689 9.261 -11.640 -4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 689 7.526 -11.390 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 689 7.689 -14.831 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 689 7.668 -13.900 -3.935 1.00 0.00 H new ATOM 689 N ARG A 690 9.575 -11.020 -7.894 1.00 0.00 N ATOM 690 CA ARG A 690 10.752 -11.261 -8.773 1.00 0.00 C ATOM 691 C ARG A 690 11.037 -10.011 -9.593 1.00 0.00 C ATOM 692 O ARG A 690 12.132 -9.817 -10.082 1.00 0.00 O ATOM 693 CB ARG A 690 10.387 -12.440 -9.679 1.00 0.00 C ATOM 694 CG ARG A 690 11.525 -12.672 -10.684 1.00 0.00 C ATOM 695 CD ARG A 690 11.081 -13.644 -11.785 1.00 0.00 C ATOM 696 NE ARG A 690 11.059 -14.989 -11.148 1.00 0.00 N ATOM 697 CZ ARG A 690 9.938 -15.480 -10.713 1.00 0.00 C ATOM 698 NH1 ARG A 690 9.016 -15.839 -11.564 1.00 0.00 N ATOM 699 NH2 ARG A 690 9.745 -15.620 -9.431 1.00 0.00 N ATOM 0 H ARG A 690 8.664 -11.160 -8.330 1.00 0.00 H new ATOM 0 HA ARG A 690 11.649 -11.488 -8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 690 10.224 -13.337 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 690 9.455 -12.235 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 690 11.825 -11.723 -11.128 1.00 0.00 H new ATOM 0 HG3 ARG A 690 12.398 -13.072 -10.168 1.00 0.00 H new ATOM 0 HD2 ARG A 690 10.097 -13.377 -12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 690 11.770 -13.621 -12.629 1.00 0.00 H new ATOM 0 HE ARG A 690 11.922 -15.524 -11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 690 9.177 -15.733 -12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 690 8.134 -16.225 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 690 10.473 -15.344 -8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 690 8.866 -16.005 -9.087 1.00 0.00 H new ATOM 713 N ASP A 691 10.065 -9.158 -9.740 1.00 0.00 N ATOM 714 CA ASP A 691 10.288 -7.913 -10.514 1.00 0.00 C ATOM 715 C ASP A 691 10.320 -6.706 -9.564 1.00 0.00 C ATOM 716 O ASP A 691 11.079 -5.774 -9.749 1.00 0.00 O ATOM 717 CB ASP A 691 9.076 -7.807 -11.448 1.00 0.00 C ATOM 718 CG ASP A 691 9.057 -8.970 -12.451 1.00 0.00 C ATOM 719 OD1 ASP A 691 10.070 -9.634 -12.587 1.00 0.00 O ATOM 720 OD2 ASP A 691 8.020 -9.175 -13.063 1.00 0.00 O ATOM 0 H ASP A 691 9.126 -9.271 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 691 11.232 -7.929 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 691 8.157 -7.812 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 691 9.106 -6.859 -11.984 1.00 0.00 H new ATOM 725 N SER A 692 9.459 -6.698 -8.574 1.00 0.00 N ATOM 726 CA SER A 692 9.387 -5.531 -7.640 1.00 0.00 C ATOM 727 C SER A 692 10.136 -5.801 -6.325 1.00 0.00 C ATOM 728 O SER A 692 11.250 -6.288 -6.319 1.00 0.00 O ATOM 729 CB SER A 692 7.894 -5.347 -7.379 1.00 0.00 C ATOM 730 OG SER A 692 7.230 -5.138 -8.617 1.00 0.00 O ATOM 0 H SER A 692 8.802 -7.452 -8.373 1.00 0.00 H new ATOM 0 HA SER A 692 9.857 -4.645 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 692 7.488 -6.226 -6.878 1.00 0.00 H new ATOM 0 HB3 SER A 692 7.730 -4.498 -6.716 1.00 0.00 H new ATOM 0 HG SER A 692 6.369 -5.606 -8.609 1.00 0.00 H new ATOM 736 N ALA A 693 9.540 -5.443 -5.208 1.00 0.00 N ATOM 737 CA ALA A 693 10.216 -5.636 -3.894 1.00 0.00 C ATOM 738 C ALA A 693 9.755 -6.919 -3.200 1.00 0.00 C ATOM 739 O ALA A 693 8.988 -7.700 -3.732 1.00 0.00 O ATOM 740 CB ALA A 693 9.801 -4.427 -3.051 1.00 0.00 C ATOM 0 H ALA A 693 8.611 -5.025 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 693 11.295 -5.721 -4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 693 10.260 -4.496 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 693 10.131 -3.511 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 693 8.716 -4.412 -2.946 1.00 0.00 H new ATOM 746 N VAL A 694 10.234 -7.118 -2.002 1.00 0.00 N ATOM 747 CA VAL A 694 9.872 -8.328 -1.203 1.00 0.00 C ATOM 748 C VAL A 694 9.745 -7.957 0.285 1.00 0.00 C ATOM 749 O VAL A 694 10.091 -6.866 0.696 1.00 0.00 O ATOM 750 CB VAL A 694 11.045 -9.297 -1.431 1.00 0.00 C ATOM 751 CG1 VAL A 694 11.177 -10.273 -0.259 1.00 0.00 C ATOM 752 CG2 VAL A 694 10.802 -10.102 -2.708 1.00 0.00 C ATOM 0 H VAL A 694 10.875 -6.479 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 694 8.917 -8.764 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 694 11.960 -8.712 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 694 12.012 -10.949 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 694 11.355 -9.715 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 694 10.258 -10.850 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 694 11.633 -10.788 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 694 9.877 -10.670 -2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 694 10.723 -9.423 -3.557 1.00 0.00 H new ATOM 762 N ALA A 695 9.253 -8.860 1.089 1.00 0.00 N ATOM 763 CA ALA A 695 9.105 -8.585 2.556 1.00 0.00 C ATOM 764 C ALA A 695 8.326 -7.286 2.807 1.00 0.00 C ATOM 765 O ALA A 695 8.796 -6.197 2.539 1.00 0.00 O ATOM 766 CB ALA A 695 10.534 -8.471 3.083 1.00 0.00 C ATOM 0 H ALA A 695 8.943 -9.786 0.794 1.00 0.00 H new ATOM 0 HA ALA A 695 8.542 -9.372 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 695 10.512 -8.269 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 695 11.065 -9.405 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 695 11.047 -7.657 2.571 1.00 0.00 H new ATOM 772 N SER A 696 7.131 -7.407 3.316 1.00 0.00 N ATOM 773 CA SER A 696 6.288 -6.207 3.587 1.00 0.00 C ATOM 774 C SER A 696 6.401 -5.768 5.049 1.00 0.00 C ATOM 775 O SER A 696 5.586 -5.010 5.542 1.00 0.00 O ATOM 776 CB SER A 696 4.868 -6.656 3.273 1.00 0.00 C ATOM 777 OG SER A 696 4.532 -7.759 4.101 1.00 0.00 O ATOM 0 H SER A 696 6.697 -8.297 3.559 1.00 0.00 H new ATOM 0 HA SER A 696 6.598 -5.350 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 696 4.170 -5.836 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 696 4.787 -6.936 2.223 1.00 0.00 H new ATOM 0 HG SER A 696 3.617 -8.050 3.903 1.00 0.00 H new ATOM 783 N GLU A 697 7.404 -6.214 5.741 1.00 0.00 N ATOM 784 CA GLU A 697 7.555 -5.790 7.153 1.00 0.00 C ATOM 785 C GLU A 697 7.939 -4.309 7.131 1.00 0.00 C ATOM 786 O GLU A 697 9.067 -3.943 7.396 1.00 0.00 O ATOM 787 CB GLU A 697 8.707 -6.658 7.673 1.00 0.00 C ATOM 788 CG GLU A 697 8.288 -8.130 7.622 1.00 0.00 C ATOM 789 CD GLU A 697 9.080 -8.942 8.654 1.00 0.00 C ATOM 790 OE1 GLU A 697 9.783 -8.336 9.444 1.00 0.00 O ATOM 791 OE2 GLU A 697 8.968 -10.157 8.634 1.00 0.00 O ATOM 0 H GLU A 697 8.122 -6.850 5.393 1.00 0.00 H new ATOM 0 HA GLU A 697 6.666 -5.904 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 697 9.600 -6.500 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 697 8.960 -6.374 8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 697 7.220 -8.219 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 697 8.461 -8.530 6.623 1.00 0.00 H new ATOM 798 N PHE A 698 7.021 -3.456 6.751 1.00 0.00 N ATOM 799 CA PHE A 698 7.367 -2.013 6.635 1.00 0.00 C ATOM 800 C PHE A 698 6.300 -1.069 7.199 1.00 0.00 C ATOM 801 O PHE A 698 5.234 -1.465 7.624 1.00 0.00 O ATOM 802 CB PHE A 698 7.543 -1.778 5.119 1.00 0.00 C ATOM 803 CG PHE A 698 6.409 -2.382 4.295 1.00 0.00 C ATOM 804 CD1 PHE A 698 5.111 -2.528 4.805 1.00 0.00 C ATOM 805 CD2 PHE A 698 6.685 -2.808 2.985 1.00 0.00 C ATOM 806 CE1 PHE A 698 4.107 -3.092 4.010 1.00 0.00 C ATOM 807 CE2 PHE A 698 5.680 -3.371 2.198 1.00 0.00 C ATOM 808 CZ PHE A 698 4.391 -3.513 2.709 1.00 0.00 C ATOM 0 H PHE A 698 6.057 -3.696 6.519 1.00 0.00 H new ATOM 0 HA PHE A 698 8.259 -1.793 7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 698 7.597 -0.707 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 698 8.491 -2.209 4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 698 4.886 -2.205 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 698 7.682 -2.699 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 698 3.108 -3.202 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 698 5.901 -3.697 1.192 1.00 0.00 H new ATOM 0 HZ PHE A 698 3.613 -3.948 2.100 1.00 0.00 H new ATOM 818 N GLU A 699 6.608 0.195 7.177 1.00 0.00 N ATOM 819 CA GLU A 699 5.668 1.231 7.648 1.00 0.00 C ATOM 820 C GLU A 699 5.105 1.922 6.405 1.00 0.00 C ATOM 821 O GLU A 699 5.840 2.247 5.495 1.00 0.00 O ATOM 822 CB GLU A 699 6.542 2.192 8.447 1.00 0.00 C ATOM 823 CG GLU A 699 5.667 3.181 9.201 1.00 0.00 C ATOM 824 CD GLU A 699 6.563 4.261 9.799 1.00 0.00 C ATOM 825 OE1 GLU A 699 7.317 3.938 10.701 1.00 0.00 O ATOM 826 OE2 GLU A 699 6.486 5.388 9.340 1.00 0.00 O ATOM 0 H GLU A 699 7.500 0.558 6.841 1.00 0.00 H new ATOM 0 HA GLU A 699 4.838 0.856 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 699 7.164 1.635 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 699 7.216 2.726 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 699 4.933 3.627 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 699 5.111 2.672 9.988 1.00 0.00 H new ATOM 833 N LEU A 700 3.828 2.123 6.318 1.00 0.00 N ATOM 834 CA LEU A 700 3.295 2.766 5.082 1.00 0.00 C ATOM 835 C LEU A 700 2.661 4.127 5.406 1.00 0.00 C ATOM 836 O LEU A 700 1.804 4.237 6.260 1.00 0.00 O ATOM 837 CB LEU A 700 2.247 1.788 4.543 1.00 0.00 C ATOM 838 CG LEU A 700 2.725 0.334 4.715 1.00 0.00 C ATOM 839 CD1 LEU A 700 1.852 -0.611 3.887 1.00 0.00 C ATOM 840 CD2 LEU A 700 4.172 0.188 4.249 1.00 0.00 C ATOM 0 H LEU A 700 3.138 1.879 7.028 1.00 0.00 H new ATOM 0 HA LEU A 700 4.081 2.961 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 700 1.303 1.931 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 700 2.059 1.993 3.489 1.00 0.00 H new ATOM 0 HG LEU A 700 2.652 0.079 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 700 2.200 -1.636 4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 700 0.817 -0.535 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 700 1.916 -0.337 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 700 4.493 -0.846 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 700 4.245 0.462 3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 700 4.812 0.843 4.840 1.00 0.00 H new ATOM 852 N VAL A 701 3.072 5.159 4.715 1.00 0.00 N ATOM 853 CA VAL A 701 2.493 6.513 4.958 1.00 0.00 C ATOM 854 C VAL A 701 1.698 6.950 3.729 1.00 0.00 C ATOM 855 O VAL A 701 2.149 6.831 2.612 1.00 0.00 O ATOM 856 CB VAL A 701 3.694 7.426 5.206 1.00 0.00 C ATOM 857 CG1 VAL A 701 3.230 8.880 5.289 1.00 0.00 C ATOM 858 CG2 VAL A 701 4.345 7.040 6.533 1.00 0.00 C ATOM 0 H VAL A 701 3.788 5.121 3.989 1.00 0.00 H new ATOM 0 HA VAL A 701 1.807 6.538 5.804 1.00 0.00 H new ATOM 0 HB VAL A 701 4.407 7.317 4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 701 4.089 9.527 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 701 2.750 9.163 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 701 2.519 8.989 6.108 1.00 0.00 H new ATOM 0 HG21 VAL A 701 5.203 7.686 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 701 3.622 7.156 7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 701 4.675 6.002 6.488 1.00 0.00 H new ATOM 868 N GLN A 702 0.503 7.417 3.940 1.00 0.00 N ATOM 869 CA GLN A 702 -0.376 7.822 2.811 1.00 0.00 C ATOM 870 C GLN A 702 -0.205 9.285 2.433 1.00 0.00 C ATOM 871 O GLN A 702 0.283 10.088 3.203 1.00 0.00 O ATOM 872 CB GLN A 702 -1.781 7.617 3.352 1.00 0.00 C ATOM 873 CG GLN A 702 -2.797 8.067 2.317 1.00 0.00 C ATOM 874 CD GLN A 702 -4.165 7.572 2.752 1.00 0.00 C ATOM 875 OE1 GLN A 702 -4.490 7.599 3.920 1.00 0.00 O ATOM 876 NE2 GLN A 702 -4.981 7.111 1.859 1.00 0.00 N ATOM 0 H GLN A 702 0.090 7.538 4.865 1.00 0.00 H new ATOM 0 HA GLN A 702 -0.147 7.247 1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 702 -1.937 6.566 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 702 -1.912 8.182 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 702 -2.796 9.153 2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 702 -2.542 7.668 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 702 -4.704 7.090 0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 702 -5.901 6.769 2.137 1.00 0.00 H new ATOM 885 N LEU A 703 -0.624 9.621 1.241 1.00 0.00 N ATOM 886 CA LEU A 703 -0.537 11.031 0.754 1.00 0.00 C ATOM 887 C LEU A 703 0.897 11.361 0.350 1.00 0.00 C ATOM 888 O LEU A 703 1.827 11.199 1.115 1.00 0.00 O ATOM 889 CB LEU A 703 -1.030 11.919 1.917 1.00 0.00 C ATOM 890 CG LEU A 703 -2.376 12.553 1.552 1.00 0.00 C ATOM 891 CD1 LEU A 703 -3.308 12.503 2.767 1.00 0.00 C ATOM 892 CD2 LEU A 703 -2.161 14.010 1.130 1.00 0.00 C ATOM 0 H LEU A 703 -1.030 8.966 0.572 1.00 0.00 H new ATOM 0 HA LEU A 703 -1.149 11.197 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 703 -1.133 11.323 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 703 -0.297 12.697 2.129 1.00 0.00 H new ATOM 0 HG LEU A 703 -2.825 12.002 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 703 -4.266 12.954 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 703 -3.463 11.466 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 703 -2.859 13.054 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 703 -3.120 14.459 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 703 -1.711 14.565 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 703 -1.499 14.044 0.265 1.00 0.00 H new ATOM 904 N LEU A 704 1.078 11.814 -0.859 1.00 0.00 N ATOM 905 CA LEU A 704 2.447 12.145 -1.332 1.00 0.00 C ATOM 906 C LEU A 704 3.069 13.243 -0.437 1.00 0.00 C ATOM 907 O LEU A 704 4.220 13.133 -0.061 1.00 0.00 O ATOM 908 CB LEU A 704 2.293 12.633 -2.791 1.00 0.00 C ATOM 909 CG LEU A 704 1.509 11.622 -3.670 1.00 0.00 C ATOM 910 CD1 LEU A 704 1.627 10.194 -3.134 1.00 0.00 C ATOM 911 CD2 LEU A 704 0.023 12.003 -3.717 1.00 0.00 C ATOM 0 H LEU A 704 0.334 11.969 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 704 3.112 11.283 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 704 1.778 13.593 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 704 3.280 12.798 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 704 1.944 11.660 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 704 1.065 9.517 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 704 2.675 9.896 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 704 1.225 10.151 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 704 -0.517 11.287 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 704 -0.388 11.992 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 704 -0.083 13.002 -4.141 1.00 0.00 H new ATOM 923 N PRO A 705 2.298 14.262 -0.098 1.00 0.00 N ATOM 924 CA PRO A 705 2.819 15.342 0.779 1.00 0.00 C ATOM 925 C PRO A 705 3.106 14.778 2.170 1.00 0.00 C ATOM 926 O PRO A 705 3.935 15.279 2.906 1.00 0.00 O ATOM 927 CB PRO A 705 1.653 16.335 0.829 1.00 0.00 C ATOM 928 CG PRO A 705 0.506 15.791 -0.039 1.00 0.00 C ATOM 929 CD PRO A 705 0.892 14.397 -0.549 1.00 0.00 C ATOM 0 HA PRO A 705 3.747 15.792 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 705 1.317 16.472 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 705 1.972 17.312 0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 705 -0.415 15.739 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 705 0.317 16.461 -0.878 1.00 0.00 H new ATOM 0 HD2 PRO A 705 0.255 13.620 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 705 0.806 14.324 -1.633 1.00 0.00 H new ATOM 937 N GLY A 706 2.408 13.734 2.526 1.00 0.00 N ATOM 938 CA GLY A 706 2.597 13.105 3.862 1.00 0.00 C ATOM 939 C GLY A 706 1.579 13.688 4.848 1.00 0.00 C ATOM 940 O GLY A 706 1.774 14.758 5.388 1.00 0.00 O ATOM 0 H GLY A 706 1.705 13.285 1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 706 2.471 12.025 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 706 3.611 13.284 4.220 1.00 0.00 H new ATOM 944 N ASP A 707 0.495 12.993 5.095 1.00 0.00 N ATOM 945 CA ASP A 707 -0.521 13.523 6.057 1.00 0.00 C ATOM 946 C ASP A 707 -1.231 12.378 6.788 1.00 0.00 C ATOM 947 O ASP A 707 -1.373 12.394 7.995 1.00 0.00 O ATOM 948 CB ASP A 707 -1.523 14.305 5.212 1.00 0.00 C ATOM 949 CG ASP A 707 -2.463 15.073 6.145 1.00 0.00 C ATOM 950 OD1 ASP A 707 -2.496 14.743 7.319 1.00 0.00 O ATOM 951 OD2 ASP A 707 -3.137 15.972 5.672 1.00 0.00 O ATOM 0 H ASP A 707 0.271 12.090 4.676 1.00 0.00 H new ATOM 0 HA ASP A 707 -0.054 14.147 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 707 -1.001 14.996 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 707 -2.093 13.626 4.578 1.00 0.00 H new ATOM 956 N ARG A 708 -1.682 11.383 6.070 1.00 0.00 N ATOM 957 CA ARG A 708 -2.380 10.243 6.736 1.00 0.00 C ATOM 958 C ARG A 708 -1.437 9.044 6.797 1.00 0.00 C ATOM 959 O ARG A 708 -0.729 8.748 5.855 1.00 0.00 O ATOM 960 CB ARG A 708 -3.604 9.921 5.869 1.00 0.00 C ATOM 961 CG ARG A 708 -4.527 8.970 6.633 1.00 0.00 C ATOM 962 CD ARG A 708 -5.787 9.727 7.071 1.00 0.00 C ATOM 963 NE ARG A 708 -5.293 10.901 7.847 1.00 0.00 N ATOM 964 CZ ARG A 708 -5.302 10.878 9.153 1.00 0.00 C ATOM 965 NH1 ARG A 708 -4.271 10.416 9.803 1.00 0.00 N ATOM 966 NH2 ARG A 708 -6.343 11.313 9.811 1.00 0.00 N ATOM 0 H ARG A 708 -1.598 11.310 5.056 1.00 0.00 H new ATOM 0 HA ARG A 708 -2.681 10.486 7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 708 -4.136 10.838 5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 708 -3.290 9.465 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 708 -4.799 8.124 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 708 -4.011 8.566 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 708 -6.374 10.044 6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 708 -6.432 9.096 7.682 1.00 0.00 H new ATOM 0 HE ARG A 708 -4.947 11.725 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 708 -3.458 10.073 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 708 -4.277 10.398 10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 708 -7.153 11.672 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 708 -6.346 11.293 10.831 1.00 0.00 H new ATOM 980 N GLU A 709 -1.423 8.346 7.893 1.00 0.00 N ATOM 981 CA GLU A 709 -0.525 7.165 8.000 1.00 0.00 C ATOM 982 C GLU A 709 -1.322 5.888 7.757 1.00 0.00 C ATOM 983 O GLU A 709 -2.393 5.705 8.294 1.00 0.00 O ATOM 984 CB GLU A 709 0.026 7.192 9.430 1.00 0.00 C ATOM 985 CG GLU A 709 -1.132 7.102 10.439 1.00 0.00 C ATOM 986 CD GLU A 709 -0.586 7.181 11.867 1.00 0.00 C ATOM 987 OE1 GLU A 709 0.490 6.658 12.102 1.00 0.00 O ATOM 988 OE2 GLU A 709 -1.258 7.765 12.702 1.00 0.00 O ATOM 0 H GLU A 709 -1.991 8.540 8.718 1.00 0.00 H new ATOM 0 HA GLU A 709 0.279 7.192 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 709 0.715 6.361 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 709 0.592 8.109 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 709 -1.840 7.912 10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 709 -1.676 6.168 10.299 1.00 0.00 H new ATOM 995 N LEU A 710 -0.811 5.004 6.951 1.00 0.00 N ATOM 996 CA LEU A 710 -1.548 3.744 6.678 1.00 0.00 C ATOM 997 C LEU A 710 -0.610 2.541 6.784 1.00 0.00 C ATOM 998 O LEU A 710 -0.470 1.763 5.864 1.00 0.00 O ATOM 999 CB LEU A 710 -2.066 3.914 5.257 1.00 0.00 C ATOM 1000 CG LEU A 710 -2.759 2.633 4.828 1.00 0.00 C ATOM 1001 CD1 LEU A 710 -4.238 2.915 4.564 1.00 0.00 C ATOM 1002 CD2 LEU A 710 -2.084 2.116 3.559 1.00 0.00 C ATOM 0 H LEU A 710 0.084 5.099 6.470 1.00 0.00 H new ATOM 0 HA LEU A 710 -2.353 3.562 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 710 -2.760 4.753 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 710 -1.242 4.141 4.580 1.00 0.00 H new ATOM 0 HG LEU A 710 -2.684 1.881 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 710 -4.735 1.995 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 710 -4.705 3.292 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 710 -4.331 3.659 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 710 -2.571 1.195 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 710 -2.168 2.865 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 710 -1.031 1.919 3.761 1.00 0.00 H new ATOM 1014 N THR A 711 0.021 2.390 7.915 1.00 0.00 N ATOM 1015 CA THR A 711 0.963 1.255 8.126 1.00 0.00 C ATOM 1016 C THR A 711 0.208 -0.069 8.307 1.00 0.00 C ATOM 1017 O THR A 711 -1.005 -0.124 8.264 1.00 0.00 O ATOM 1018 CB THR A 711 1.756 1.634 9.385 1.00 0.00 C ATOM 1019 OG1 THR A 711 0.882 1.686 10.506 1.00 0.00 O ATOM 1020 CG2 THR A 711 2.401 3.007 9.180 1.00 0.00 C ATOM 0 H THR A 711 -0.078 3.015 8.715 1.00 0.00 H new ATOM 0 HA THR A 711 1.617 1.098 7.269 1.00 0.00 H new ATOM 0 HB THR A 711 2.528 0.886 9.565 1.00 0.00 H new ATOM 0 HG1 THR A 711 1.392 1.927 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 711 2.965 3.281 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 711 3.073 2.969 8.323 1.00 0.00 H new ATOM 0 HG23 THR A 711 1.625 3.750 9.000 1.00 0.00 H new ATOM 1028 N ILE A 712 0.931 -1.144 8.458 1.00 0.00 N ATOM 1029 CA ILE A 712 0.290 -2.481 8.601 1.00 0.00 C ATOM 1030 C ILE A 712 -0.516 -2.645 9.907 1.00 0.00 C ATOM 1031 O ILE A 712 -1.563 -3.261 9.888 1.00 0.00 O ATOM 1032 CB ILE A 712 1.448 -3.469 8.566 1.00 0.00 C ATOM 1033 CG1 ILE A 712 2.220 -3.298 7.265 1.00 0.00 C ATOM 1034 CG2 ILE A 712 0.880 -4.876 8.615 1.00 0.00 C ATOM 1035 CD1 ILE A 712 1.235 -3.420 6.107 1.00 0.00 C ATOM 0 H ILE A 712 1.950 -1.153 8.489 1.00 0.00 H new ATOM 0 HA ILE A 712 -0.440 -2.637 7.807 1.00 0.00 H new ATOM 0 HB ILE A 712 2.112 -3.294 9.412 1.00 0.00 H new ATOM 0 HG12 ILE A 712 2.716 -2.327 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 712 2.999 -4.056 7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 712 1.696 -5.599 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 712 0.308 -5.006 9.534 1.00 0.00 H new ATOM 0 HG23 ILE A 712 0.228 -5.035 7.756 1.00 0.00 H new ATOM 0 HD11 ILE A 712 1.767 -3.301 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 712 0.761 -4.401 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 712 0.473 -2.646 6.195 1.00 0.00 H new ATOM 1047 N PRO A 713 -0.013 -2.131 11.010 1.00 0.00 N ATOM 1048 CA PRO A 713 -0.729 -2.287 12.307 1.00 0.00 C ATOM 1049 C PRO A 713 -2.123 -1.626 12.331 1.00 0.00 C ATOM 1050 O PRO A 713 -2.787 -1.631 13.347 1.00 0.00 O ATOM 1051 CB PRO A 713 0.198 -1.585 13.296 1.00 0.00 C ATOM 1052 CG PRO A 713 1.434 -1.063 12.539 1.00 0.00 C ATOM 1053 CD PRO A 713 1.278 -1.392 11.046 1.00 0.00 C ATOM 0 HA PRO A 713 -0.924 -3.337 12.526 1.00 0.00 H new ATOM 0 HB2 PRO A 713 -0.324 -0.759 13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 713 0.502 -2.275 14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 713 1.535 0.013 12.679 1.00 0.00 H new ATOM 0 HG3 PRO A 713 2.340 -1.523 12.934 1.00 0.00 H new ATOM 0 HD2 PRO A 713 1.247 -0.491 10.433 1.00 0.00 H new ATOM 0 HD3 PRO A 713 2.104 -2.000 10.676 1.00 0.00 H new ATOM 1061 N HIS A 714 -2.576 -1.049 11.254 1.00 0.00 N ATOM 1062 CA HIS A 714 -3.922 -0.393 11.269 1.00 0.00 C ATOM 1063 C HIS A 714 -5.066 -1.423 11.331 1.00 0.00 C ATOM 1064 O HIS A 714 -4.843 -2.617 11.329 1.00 0.00 O ATOM 1065 CB HIS A 714 -3.961 0.419 9.982 1.00 0.00 C ATOM 1066 CG HIS A 714 -3.167 1.674 10.195 1.00 0.00 C ATOM 1067 ND1 HIS A 714 -3.752 2.853 10.630 1.00 0.00 N ATOM 1068 CD2 HIS A 714 -1.829 1.947 10.067 1.00 0.00 C ATOM 1069 CE1 HIS A 714 -2.776 3.771 10.744 1.00 0.00 C ATOM 1070 NE2 HIS A 714 -1.583 3.270 10.410 1.00 0.00 N ATOM 0 H HIS A 714 -2.078 -1.001 10.365 1.00 0.00 H new ATOM 0 HA HIS A 714 -4.064 0.229 12.153 1.00 0.00 H new ATOM 0 HB2 HIS A 714 -3.546 -0.158 9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 714 -4.990 0.661 9.716 1.00 0.00 H new ATOM 0 HD1 HIS A 714 -4.742 2.998 10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 714 -1.079 1.239 9.747 1.00 0.00 H new ATOM 0 HE1 HIS A 714 -2.937 4.789 11.066 1.00 0.00 H new ATOM 1078 N SER A 715 -6.296 -0.955 11.384 1.00 0.00 N ATOM 1079 CA SER A 715 -7.465 -1.890 11.444 1.00 0.00 C ATOM 1080 C SER A 715 -7.751 -2.456 10.041 1.00 0.00 C ATOM 1081 O SER A 715 -7.305 -1.918 9.048 1.00 0.00 O ATOM 1082 CB SER A 715 -8.638 -1.038 11.956 1.00 0.00 C ATOM 1083 OG SER A 715 -8.307 -0.484 13.227 1.00 0.00 O ATOM 0 H SER A 715 -6.538 0.036 11.388 1.00 0.00 H new ATOM 0 HA SER A 715 -7.287 -2.745 12.096 1.00 0.00 H new ATOM 0 HB2 SER A 715 -8.858 -0.240 11.246 1.00 0.00 H new ATOM 0 HB3 SER A 715 -9.537 -1.649 12.037 1.00 0.00 H new ATOM 0 HG SER A 715 -9.055 0.060 13.551 1.00 0.00 H new ATOM 1089 N ALA A 716 -8.467 -3.555 9.954 1.00 0.00 N ATOM 1090 CA ALA A 716 -8.751 -4.169 8.615 1.00 0.00 C ATOM 1091 C ALA A 716 -9.510 -3.193 7.701 1.00 0.00 C ATOM 1092 O ALA A 716 -9.174 -3.042 6.543 1.00 0.00 O ATOM 1093 CB ALA A 716 -9.611 -5.398 8.920 1.00 0.00 C ATOM 0 H ALA A 716 -8.866 -4.052 10.750 1.00 0.00 H new ATOM 0 HA ALA A 716 -7.832 -4.425 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 716 -9.863 -5.906 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 716 -9.057 -6.079 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 716 -10.527 -5.086 9.422 1.00 0.00 H new ATOM 1099 N ASN A 717 -10.518 -2.518 8.197 1.00 0.00 N ATOM 1100 CA ASN A 717 -11.252 -1.555 7.320 1.00 0.00 C ATOM 1101 C ASN A 717 -10.544 -0.204 7.376 1.00 0.00 C ATOM 1102 O ASN A 717 -10.978 0.719 8.033 1.00 0.00 O ATOM 1103 CB ASN A 717 -12.666 -1.456 7.897 1.00 0.00 C ATOM 1104 CG ASN A 717 -12.621 -0.763 9.260 1.00 0.00 C ATOM 1105 OD1 ASN A 717 -12.059 -1.286 10.200 1.00 0.00 O ATOM 1106 ND2 ASN A 717 -13.200 0.399 9.409 1.00 0.00 N ATOM 0 H ASN A 717 -10.860 -2.590 9.155 1.00 0.00 H new ATOM 0 HA ASN A 717 -11.284 -1.873 6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 717 -13.309 -0.898 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 717 -13.098 -2.452 7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 717 -13.180 0.866 10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 717 -13.672 0.839 8.619 1.00 0.00 H new ATOM 1113 N VAL A 718 -9.424 -0.092 6.730 1.00 0.00 N ATOM 1114 CA VAL A 718 -8.669 1.185 6.813 1.00 0.00 C ATOM 1115 C VAL A 718 -8.953 2.107 5.628 1.00 0.00 C ATOM 1116 O VAL A 718 -9.072 3.307 5.795 1.00 0.00 O ATOM 1117 CB VAL A 718 -7.213 0.720 6.897 1.00 0.00 C ATOM 1118 CG1 VAL A 718 -6.458 1.001 5.596 1.00 0.00 C ATOM 1119 CG2 VAL A 718 -6.543 1.434 8.072 1.00 0.00 C ATOM 0 H VAL A 718 -9.000 -0.819 6.154 1.00 0.00 H new ATOM 0 HA VAL A 718 -8.952 1.801 7.667 1.00 0.00 H new ATOM 0 HB VAL A 718 -7.191 -0.359 7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 718 -5.428 0.658 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 718 -6.941 0.473 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 718 -6.466 2.072 5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 718 -5.504 1.114 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 718 -6.581 2.512 7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 718 -7.067 1.186 8.995 1.00 0.00 H new ATOM 1129 N PHE A 719 -9.069 1.582 4.442 1.00 0.00 N ATOM 1130 CA PHE A 719 -9.354 2.485 3.297 1.00 0.00 C ATOM 1131 C PHE A 719 -10.674 3.203 3.500 1.00 0.00 C ATOM 1132 O PHE A 719 -10.745 4.394 3.333 1.00 0.00 O ATOM 1133 CB PHE A 719 -9.358 1.627 2.039 1.00 0.00 C ATOM 1134 CG PHE A 719 -7.995 1.766 1.416 1.00 0.00 C ATOM 1135 CD1 PHE A 719 -6.872 1.883 2.244 1.00 0.00 C ATOM 1136 CD2 PHE A 719 -7.853 1.822 0.029 1.00 0.00 C ATOM 1137 CE1 PHE A 719 -5.607 2.058 1.685 1.00 0.00 C ATOM 1138 CE2 PHE A 719 -6.586 1.987 -0.532 1.00 0.00 C ATOM 1139 CZ PHE A 719 -5.463 2.107 0.299 1.00 0.00 C ATOM 0 H PHE A 719 -8.981 0.591 4.219 1.00 0.00 H new ATOM 0 HA PHE A 719 -8.595 3.262 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 719 -9.568 0.585 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 719 -10.134 1.956 1.349 1.00 0.00 H new ATOM 0 HD1 PHE A 719 -6.986 1.838 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 719 -8.721 1.738 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 719 -4.741 2.155 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 719 -6.470 2.022 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 719 -4.483 2.238 -0.136 1.00 0.00 H new ATOM 1149 N TYR A 720 -11.710 2.531 3.923 1.00 0.00 N ATOM 1150 CA TYR A 720 -12.983 3.270 4.157 1.00 0.00 C ATOM 1151 C TYR A 720 -12.643 4.487 5.012 1.00 0.00 C ATOM 1152 O TYR A 720 -13.326 5.489 4.996 1.00 0.00 O ATOM 1153 CB TYR A 720 -13.910 2.281 4.877 1.00 0.00 C ATOM 1154 CG TYR A 720 -15.245 2.933 5.203 1.00 0.00 C ATOM 1155 CD1 TYR A 720 -16.157 3.246 4.180 1.00 0.00 C ATOM 1156 CD2 TYR A 720 -15.575 3.216 6.537 1.00 0.00 C ATOM 1157 CE1 TYR A 720 -17.390 3.843 4.494 1.00 0.00 C ATOM 1158 CE2 TYR A 720 -16.807 3.812 6.847 1.00 0.00 C ATOM 1159 CZ TYR A 720 -17.713 4.125 5.827 1.00 0.00 C ATOM 1160 OH TYR A 720 -18.920 4.720 6.136 1.00 0.00 O ATOM 0 H TYR A 720 -11.733 1.529 4.113 1.00 0.00 H new ATOM 0 HA TYR A 720 -13.474 3.626 3.251 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -14.072 1.404 4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -13.436 1.933 5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -15.910 3.027 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -14.879 2.975 7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -18.089 4.084 3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -17.057 4.030 7.875 1.00 0.00 H new ATOM 0 HH TYR A 720 -18.985 4.844 7.106 1.00 0.00 H new ATOM 1170 N ALA A 721 -11.554 4.407 5.739 1.00 0.00 N ATOM 1171 CA ALA A 721 -11.128 5.559 6.572 1.00 0.00 C ATOM 1172 C ALA A 721 -9.981 6.357 5.905 1.00 0.00 C ATOM 1173 O ALA A 721 -9.835 7.538 6.150 1.00 0.00 O ATOM 1174 CB ALA A 721 -10.632 4.932 7.875 1.00 0.00 C ATOM 0 H ALA A 721 -10.946 3.590 5.787 1.00 0.00 H new ATOM 0 HA ALA A 721 -11.946 6.264 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 721 -10.296 5.717 8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 721 -11.443 4.373 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 721 -9.802 4.258 7.662 1.00 0.00 H new ATOM 1180 N MET A 722 -9.132 5.730 5.104 1.00 0.00 N ATOM 1181 CA MET A 722 -7.978 6.499 4.500 1.00 0.00 C ATOM 1182 C MET A 722 -8.238 6.959 3.074 1.00 0.00 C ATOM 1183 O MET A 722 -7.663 7.925 2.612 1.00 0.00 O ATOM 1184 CB MET A 722 -6.765 5.552 4.482 1.00 0.00 C ATOM 1185 CG MET A 722 -6.030 5.662 5.816 1.00 0.00 C ATOM 1186 SD MET A 722 -6.907 4.697 7.068 1.00 0.00 S ATOM 1187 CE MET A 722 -5.990 5.293 8.512 1.00 0.00 C ATOM 0 H MET A 722 -9.185 4.744 4.848 1.00 0.00 H new ATOM 0 HA MET A 722 -7.819 7.395 5.100 1.00 0.00 H new ATOM 0 HB2 MET A 722 -7.091 4.525 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 722 -6.097 5.812 3.661 1.00 0.00 H new ATOM 0 HG2 MET A 722 -5.008 5.298 5.711 1.00 0.00 H new ATOM 0 HG3 MET A 722 -5.967 6.706 6.124 1.00 0.00 H new ATOM 0 HE1 MET A 722 -6.377 4.815 9.412 1.00 0.00 H new ATOM 0 HE2 MET A 722 -4.934 5.050 8.398 1.00 0.00 H new ATOM 0 HE3 MET A 722 -6.107 6.373 8.597 1.00 0.00 H new ATOM 1197 N ASP A 723 -9.032 6.250 2.354 1.00 0.00 N ATOM 1198 CA ASP A 723 -9.243 6.612 0.942 1.00 0.00 C ATOM 1199 C ASP A 723 -9.834 8.026 0.765 1.00 0.00 C ATOM 1200 O ASP A 723 -9.105 8.999 0.726 1.00 0.00 O ATOM 1201 CB ASP A 723 -10.123 5.474 0.422 1.00 0.00 C ATOM 1202 CG ASP A 723 -11.415 5.311 1.238 1.00 0.00 C ATOM 1203 OD1 ASP A 723 -11.911 6.297 1.762 1.00 0.00 O ATOM 1204 OD2 ASP A 723 -11.887 4.184 1.332 1.00 0.00 O ATOM 0 H ASP A 723 -9.547 5.432 2.680 1.00 0.00 H new ATOM 0 HA ASP A 723 -8.319 6.695 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 723 -10.377 5.663 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 723 -9.559 4.541 0.449 1.00 0.00 H new ATOM 1209 N GLY A 724 -11.115 8.170 0.639 1.00 0.00 N ATOM 1210 CA GLY A 724 -11.683 9.525 0.449 1.00 0.00 C ATOM 1211 C GLY A 724 -11.305 10.018 -0.942 1.00 0.00 C ATOM 1212 O GLY A 724 -12.043 9.863 -1.893 1.00 0.00 O ATOM 0 H GLY A 724 -11.794 7.410 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 724 -12.767 9.500 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 724 -11.300 10.206 1.209 1.00 0.00 H new ATOM 1216 N ALA A 725 -10.152 10.601 -1.061 1.00 0.00 N ATOM 1217 CA ALA A 725 -9.694 11.105 -2.382 1.00 0.00 C ATOM 1218 C ALA A 725 -8.889 10.010 -3.082 1.00 0.00 C ATOM 1219 O ALA A 725 -9.433 9.007 -3.497 1.00 0.00 O ATOM 1220 CB ALA A 725 -8.804 12.290 -2.041 1.00 0.00 C ATOM 0 H ALA A 725 -9.499 10.753 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 725 -10.510 11.386 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 725 -8.417 12.730 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 725 -9.384 13.036 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 725 -7.973 11.954 -1.421 1.00 0.00 H new ATOM 1226 N SER A 726 -7.592 10.159 -3.187 1.00 0.00 N ATOM 1227 CA SER A 726 -6.795 9.089 -3.815 1.00 0.00 C ATOM 1228 C SER A 726 -5.877 8.535 -2.735 1.00 0.00 C ATOM 1229 O SER A 726 -5.452 9.256 -1.854 1.00 0.00 O ATOM 1230 CB SER A 726 -5.999 9.773 -4.917 1.00 0.00 C ATOM 1231 OG SER A 726 -4.983 10.578 -4.330 1.00 0.00 O ATOM 0 H SER A 726 -7.065 10.971 -2.865 1.00 0.00 H new ATOM 0 HA SER A 726 -7.385 8.272 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 726 -5.554 9.028 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 726 -6.658 10.388 -5.530 1.00 0.00 H new ATOM 0 HG SER A 726 -4.466 11.019 -5.036 1.00 0.00 H new ATOM 1237 N HIS A 727 -5.593 7.273 -2.755 1.00 0.00 N ATOM 1238 CA HIS A 727 -4.726 6.719 -1.678 1.00 0.00 C ATOM 1239 C HIS A 727 -3.320 6.441 -2.217 1.00 0.00 C ATOM 1240 O HIS A 727 -3.104 5.464 -2.892 1.00 0.00 O ATOM 1241 CB HIS A 727 -5.388 5.395 -1.226 1.00 0.00 C ATOM 1242 CG HIS A 727 -6.781 5.267 -1.789 1.00 0.00 C ATOM 1243 ND1 HIS A 727 -7.720 6.268 -1.647 1.00 0.00 N ATOM 1244 CD2 HIS A 727 -7.398 4.274 -2.515 1.00 0.00 C ATOM 1245 CE1 HIS A 727 -8.839 5.862 -2.270 1.00 0.00 C ATOM 1246 NE2 HIS A 727 -8.698 4.656 -2.815 1.00 0.00 N ATOM 0 H HIS A 727 -5.914 6.605 -3.455 1.00 0.00 H new ATOM 0 HA HIS A 727 -4.629 7.422 -0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 727 -4.781 4.551 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 727 -5.427 5.357 -0.137 1.00 0.00 H new ATOM 0 HD1 HIS A 727 -7.589 7.154 -1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 727 -6.940 3.340 -2.807 1.00 0.00 H new ATOM 0 HE1 HIS A 727 -9.746 6.446 -2.322 1.00 0.00 H new ATOM 1254 N ASP A 728 -2.353 7.270 -1.907 1.00 0.00 N ATOM 1255 CA ASP A 728 -0.967 7.002 -2.399 1.00 0.00 C ATOM 1256 C ASP A 728 -0.011 6.962 -1.216 1.00 0.00 C ATOM 1257 O ASP A 728 0.069 7.896 -0.443 1.00 0.00 O ATOM 1258 CB ASP A 728 -0.614 8.159 -3.329 1.00 0.00 C ATOM 1259 CG ASP A 728 -1.508 8.117 -4.563 1.00 0.00 C ATOM 1260 OD1 ASP A 728 -2.328 7.220 -4.639 1.00 0.00 O ATOM 1261 OD2 ASP A 728 -1.368 8.993 -5.400 1.00 0.00 O ATOM 0 H ASP A 728 -2.462 8.111 -1.341 1.00 0.00 H new ATOM 0 HA ASP A 728 -0.896 6.047 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 728 -0.741 9.108 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 728 0.433 8.094 -3.624 1.00 0.00 H new ATOM 1266 N PHE A 729 0.705 5.892 -1.049 1.00 0.00 N ATOM 1267 CA PHE A 729 1.629 5.824 0.108 1.00 0.00 C ATOM 1268 C PHE A 729 3.006 5.373 -0.320 1.00 0.00 C ATOM 1269 O PHE A 729 3.255 5.007 -1.452 1.00 0.00 O ATOM 1270 CB PHE A 729 1.078 4.765 1.070 1.00 0.00 C ATOM 1271 CG PHE A 729 -0.403 4.610 0.942 1.00 0.00 C ATOM 1272 CD1 PHE A 729 -0.952 4.000 -0.186 1.00 0.00 C ATOM 1273 CD2 PHE A 729 -1.219 5.057 1.972 1.00 0.00 C ATOM 1274 CE1 PHE A 729 -2.334 3.839 -0.279 1.00 0.00 C ATOM 1275 CE2 PHE A 729 -2.602 4.897 1.886 1.00 0.00 C ATOM 1276 CZ PHE A 729 -3.160 4.287 0.754 1.00 0.00 C ATOM 0 H PHE A 729 0.692 5.071 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 729 1.704 6.811 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 729 1.561 3.808 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 729 1.327 5.041 2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 729 -0.310 3.654 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 729 -0.783 5.529 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 729 -2.765 3.368 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 729 -3.239 5.241 2.687 1.00 0.00 H new ATOM 0 HZ PHE A 729 -4.230 4.163 0.681 1.00 0.00 H new ATOM 1286 N LEU A 730 3.882 5.361 0.623 1.00 0.00 N ATOM 1287 CA LEU A 730 5.266 4.893 0.370 1.00 0.00 C ATOM 1288 C LEU A 730 5.638 3.906 1.484 1.00 0.00 C ATOM 1289 O LEU A 730 5.126 3.991 2.583 1.00 0.00 O ATOM 1290 CB LEU A 730 6.119 6.164 0.392 1.00 0.00 C ATOM 1291 CG LEU A 730 5.925 6.895 1.714 1.00 0.00 C ATOM 1292 CD1 LEU A 730 7.203 6.748 2.545 1.00 0.00 C ATOM 1293 CD2 LEU A 730 5.624 8.378 1.432 1.00 0.00 C ATOM 0 H LEU A 730 3.700 5.661 1.581 1.00 0.00 H new ATOM 0 HA LEU A 730 5.405 4.371 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 730 7.170 5.909 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 730 5.840 6.814 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 730 5.088 6.472 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 730 7.080 7.267 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 730 7.397 5.692 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 730 8.042 7.181 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 730 5.484 8.907 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 730 6.458 8.821 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 730 4.717 8.458 0.833 1.00 0.00 H new ATOM 1305 N LEU A 731 6.466 2.931 1.206 1.00 0.00 N ATOM 1306 CA LEU A 731 6.770 1.920 2.267 1.00 0.00 C ATOM 1307 C LEU A 731 8.240 1.908 2.689 1.00 0.00 C ATOM 1308 O LEU A 731 9.141 2.109 1.900 1.00 0.00 O ATOM 1309 CB LEU A 731 6.423 0.569 1.641 1.00 0.00 C ATOM 1310 CG LEU A 731 5.132 0.666 0.813 1.00 0.00 C ATOM 1311 CD1 LEU A 731 4.688 -0.741 0.395 1.00 0.00 C ATOM 1312 CD2 LEU A 731 4.019 1.336 1.630 1.00 0.00 C ATOM 0 H LEU A 731 6.936 2.791 0.312 1.00 0.00 H new ATOM 0 HA LEU A 731 6.202 2.151 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 731 7.244 0.236 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 731 6.303 -0.179 2.424 1.00 0.00 H new ATOM 0 HG LEU A 731 5.326 1.270 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 731 3.772 -0.674 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 731 5.470 -1.206 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 731 4.505 -1.344 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 731 3.112 1.397 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 731 3.821 0.748 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 731 4.332 2.340 1.916 1.00 0.00 H new ATOM 1324 N ARG A 732 8.466 1.625 3.944 1.00 0.00 N ATOM 1325 CA ARG A 732 9.853 1.538 4.479 1.00 0.00 C ATOM 1326 C ARG A 732 10.064 0.171 5.159 1.00 0.00 C ATOM 1327 O ARG A 732 9.670 -0.022 6.290 1.00 0.00 O ATOM 1328 CB ARG A 732 9.937 2.654 5.521 1.00 0.00 C ATOM 1329 CG ARG A 732 9.830 4.021 4.842 1.00 0.00 C ATOM 1330 CD ARG A 732 9.697 5.098 5.922 1.00 0.00 C ATOM 1331 NE ARG A 732 9.707 6.408 5.198 1.00 0.00 N ATOM 1332 CZ ARG A 732 10.840 6.952 4.836 1.00 0.00 C ATOM 1333 NH1 ARG A 732 11.414 6.578 3.721 1.00 0.00 N ATOM 1334 NH2 ARG A 732 11.378 7.894 5.571 1.00 0.00 N ATOM 0 H ARG A 732 7.734 1.448 4.632 1.00 0.00 H new ATOM 0 HA ARG A 732 10.608 1.639 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 732 9.137 2.540 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 732 10.879 2.583 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 732 10.711 4.208 4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 732 8.967 4.045 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 732 8.774 4.972 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 732 10.519 5.040 6.635 1.00 0.00 H new ATOM 0 HE ARG A 732 8.827 6.878 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 732 10.978 5.864 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 732 12.298 7.000 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 732 10.913 8.203 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 732 12.262 8.319 5.289 1.00 0.00 H new ATOM 1348 N GLN A 733 10.673 -0.780 4.493 1.00 0.00 N ATOM 1349 CA GLN A 733 10.886 -2.120 5.138 1.00 0.00 C ATOM 1350 C GLN A 733 11.747 -1.997 6.396 1.00 0.00 C ATOM 1351 O GLN A 733 12.953 -1.867 6.337 1.00 0.00 O ATOM 1352 CB GLN A 733 11.571 -2.968 4.067 1.00 0.00 C ATOM 1353 CG GLN A 733 10.595 -4.028 3.572 1.00 0.00 C ATOM 1354 CD GLN A 733 10.532 -5.153 4.601 1.00 0.00 C ATOM 1355 OE1 GLN A 733 9.629 -5.201 5.414 1.00 0.00 O ATOM 1356 NE2 GLN A 733 11.469 -6.060 4.607 1.00 0.00 N ATOM 0 H GLN A 733 11.029 -0.692 3.541 1.00 0.00 H new ATOM 0 HA GLN A 733 9.950 -2.569 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 733 11.894 -2.338 3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 733 12.464 -3.441 4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 733 9.606 -3.593 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 733 10.917 -4.417 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 733 12.225 -6.017 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 733 11.446 -6.813 5.295 1.00 0.00 H new ATOM 1365 N ARG A 734 11.115 -2.054 7.542 1.00 0.00 N ATOM 1366 CA ARG A 734 11.867 -1.959 8.829 1.00 0.00 C ATOM 1367 C ARG A 734 12.676 -3.242 9.063 1.00 0.00 C ATOM 1368 O ARG A 734 13.765 -3.211 9.599 1.00 0.00 O ATOM 1369 CB ARG A 734 10.795 -1.780 9.910 1.00 0.00 C ATOM 1370 CG ARG A 734 11.449 -1.766 11.295 1.00 0.00 C ATOM 1371 CD ARG A 734 12.041 -0.379 11.564 1.00 0.00 C ATOM 1372 NE ARG A 734 12.049 -0.240 13.049 1.00 0.00 N ATOM 1373 CZ ARG A 734 12.703 0.738 13.614 1.00 0.00 C ATOM 1374 NH1 ARG A 734 13.997 0.648 13.769 1.00 0.00 N ATOM 1375 NH2 ARG A 734 12.068 1.810 14.011 1.00 0.00 N ATOM 0 H ARG A 734 10.106 -2.163 7.641 1.00 0.00 H new ATOM 0 HA ARG A 734 12.579 -1.134 8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 734 10.252 -0.849 9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 734 10.067 -2.589 9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 734 10.713 -2.014 12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 734 12.231 -2.524 11.348 1.00 0.00 H new ATOM 0 HD2 ARG A 734 13.048 -0.294 11.155 1.00 0.00 H new ATOM 0 HD3 ARG A 734 11.441 0.403 11.098 1.00 0.00 H new ATOM 0 HE ARG A 734 11.542 -0.912 13.625 1.00 0.00 H new ATOM 0 HH11 ARG A 734 14.492 -0.184 13.449 1.00 0.00 H new ATOM 0 HH12 ARG A 734 14.512 1.410 14.210 1.00 0.00 H new ATOM 0 HH21 ARG A 734 11.059 1.883 13.879 1.00 0.00 H new ATOM 0 HH22 ARG A 734 12.582 2.573 14.452 1.00 0.00 H new ATOM 1389 N ARG A 735 12.143 -4.374 8.674 1.00 0.00 N ATOM 1390 CA ARG A 735 12.876 -5.661 8.885 1.00 0.00 C ATOM 1391 C ARG A 735 12.824 -6.512 7.611 1.00 0.00 C ATOM 1392 O ARG A 735 13.210 -6.006 6.569 1.00 0.00 O ATOM 1393 CB ARG A 735 12.125 -6.354 10.023 1.00 0.00 C ATOM 1394 CG ARG A 735 12.168 -5.463 11.265 1.00 0.00 C ATOM 1395 CD ARG A 735 11.540 -6.198 12.451 1.00 0.00 C ATOM 1396 NE ARG A 735 10.088 -6.223 12.143 1.00 0.00 N ATOM 1397 CZ ARG A 735 9.319 -5.283 12.606 1.00 0.00 C ATOM 1398 NH1 ARG A 735 9.280 -4.115 12.020 1.00 0.00 N ATOM 1399 NH2 ARG A 735 8.587 -5.517 13.659 1.00 0.00 N ATOM 1400 OXT ARG A 735 12.398 -7.652 7.699 1.00 0.00 O ATOM 0 H ARG A 735 11.234 -4.463 8.220 1.00 0.00 H new ATOM 0 HA ARG A 735 13.929 -5.507 9.122 1.00 0.00 H new ATOM 0 HB2 ARG A 735 11.092 -6.543 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 735 12.578 -7.322 10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 735 13.199 -5.195 11.496 1.00 0.00 H new ATOM 0 HG3 ARG A 735 11.631 -4.533 11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 735 11.942 -7.206 12.552 1.00 0.00 H new ATOM 0 HD3 ARG A 735 11.738 -5.680 13.389 1.00 0.00 H new ATOM 0 HE ARG A 735 9.697 -6.972 11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 735 9.855 -3.938 11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 735 8.675 -3.380 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 735 8.621 -6.431 14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 735 7.980 -4.786 14.031 1.00 0.00 H new