USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 485 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 772 SER OG : rot -120:sc= 0.936 USER MOD Set 1.2: A 781 THR OG1 : rot 137:sc= 0.981 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -1.4 K(o=-1.6,f=-3!) USER MOD Set 2.2: A 769 HIS : no HD1:sc= -0.2 K(o=-1.6,f=-2.4) USER MOD Single : A 728 HIS : no HD1:sc= -0.0805 X(o=-0.08,f=0) USER MOD Single : A 732 MET CE :methyl 165:sc= -0.0609 (180deg=-0.374) USER MOD Single : A 737 MET CE :methyl -160:sc= -0.453 (180deg=-0.929) USER MOD Single : A 739 SER OG : rot 150:sc= -0.111 USER MOD Single : A 740 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 163:sc= -0.726 (180deg=-1.06) USER MOD Single : A 743 GLN : amide:sc= -0.715 K(o=-0.72,f=-1.6!) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 6:sc= 0.132 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 760 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 765 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 771 SER OG : rot -90:sc= 0.49 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 156:sc= 1.75 (180deg=0.592) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.591 3.231 -11.811 1.00 1.00 N ATOM 25 CA ASP A 727 3.552 2.218 -12.206 1.00 1.00 C ATOM 26 C ASP A 727 4.496 1.968 -11.045 1.00 1.00 C ATOM 27 O ASP A 727 4.586 0.839 -10.582 1.00 1.00 O ATOM 28 CB ASP A 727 4.293 2.733 -13.440 1.00 1.00 C ATOM 29 CG ASP A 727 5.431 1.845 -13.942 1.00 1.00 C ATOM 30 OD1 ASP A 727 5.601 0.676 -13.521 1.00 1.00 O ATOM 31 OD2 ASP A 727 6.137 2.323 -14.860 1.00 1.00 O ATOM 0 HA ASP A 727 3.069 1.273 -12.456 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.572 2.862 -14.248 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.698 3.719 -13.214 1.00 1.00 H new ATOM 36 N HIS A 728 5.121 3.019 -10.503 1.00 1.00 N ATOM 37 CA HIS A 728 6.114 2.901 -9.442 1.00 1.00 C ATOM 38 C HIS A 728 5.514 2.209 -8.222 1.00 1.00 C ATOM 39 O HIS A 728 6.027 1.185 -7.771 1.00 1.00 O ATOM 40 CB HIS A 728 6.678 4.274 -9.062 1.00 1.00 C ATOM 41 CG HIS A 728 7.475 4.944 -10.152 1.00 1.00 C ATOM 42 ND1 HIS A 728 8.845 5.108 -10.173 1.00 1.00 N ATOM 43 CD2 HIS A 728 6.968 5.563 -11.261 1.00 1.00 C ATOM 44 CE1 HIS A 728 9.153 5.843 -11.254 1.00 1.00 C ATOM 45 NE2 HIS A 728 8.041 6.125 -11.957 1.00 1.00 N ATOM 0 H HIS A 728 4.947 3.981 -10.794 1.00 1.00 H new ATOM 0 HA HIS A 728 6.937 2.291 -9.815 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.852 4.927 -8.779 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.312 4.162 -8.182 1.00 1.00 H new ATOM 0 HD2 HIS A 728 5.928 5.609 -11.547 1.00 1.00 H new ATOM 0 HE1 HIS A 728 10.150 6.162 -11.521 1.00 1.00 H new ATOM 0 HE2 HIS A 728 7.991 6.649 -12.831 1.00 1.00 H new ATOM 53 N PHE A 729 4.401 2.741 -7.699 1.00 1.00 N ATOM 54 CA PHE A 729 3.753 2.114 -6.555 1.00 1.00 C ATOM 55 C PHE A 729 3.278 0.714 -6.917 1.00 1.00 C ATOM 56 O PHE A 729 3.437 -0.189 -6.104 1.00 1.00 O ATOM 57 CB PHE A 729 2.561 2.926 -6.032 1.00 1.00 C ATOM 58 CG PHE A 729 2.848 4.371 -5.692 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.692 4.678 -4.611 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.242 5.413 -6.422 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.922 6.017 -4.261 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.478 6.752 -6.078 1.00 1.00 C ATOM 63 CZ PHE A 729 3.314 7.053 -4.994 1.00 1.00 C ATOM 0 H PHE A 729 3.944 3.585 -8.045 1.00 1.00 H new ATOM 0 HA PHE A 729 4.501 2.068 -5.763 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.770 2.899 -6.782 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.173 2.433 -5.141 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.163 3.884 -4.050 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.592 5.179 -7.252 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.567 6.253 -3.427 1.00 1.00 H new ATOM 0 HE2 PHE A 729 2.018 7.547 -6.646 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.492 8.083 -4.721 1.00 1.00 H new ATOM 73 N ARG A 730 2.696 0.510 -8.106 1.00 1.00 N ATOM 74 CA ARG A 730 2.170 -0.803 -8.460 1.00 1.00 C ATOM 75 C ARG A 730 3.298 -1.820 -8.480 1.00 1.00 C ATOM 76 O ARG A 730 3.139 -2.863 -7.863 1.00 1.00 O ATOM 77 CB ARG A 730 1.383 -0.771 -9.778 1.00 1.00 C ATOM 78 CG ARG A 730 0.496 -2.024 -9.883 1.00 1.00 C ATOM 79 CD ARG A 730 -0.374 -2.009 -11.139 1.00 1.00 C ATOM 80 NE ARG A 730 0.375 -2.460 -12.313 1.00 1.00 N ATOM 81 CZ ARG A 730 0.685 -3.726 -12.605 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.209 -4.739 -11.885 1.00 1.00 N ATOM 83 NH2 ARG A 730 1.484 -3.965 -13.636 1.00 1.00 N ATOM 0 H ARG A 730 2.581 1.226 -8.823 1.00 1.00 H new ATOM 0 HA ARG A 730 1.453 -1.108 -7.697 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.767 0.127 -9.823 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.071 -0.729 -10.623 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.126 -2.914 -9.889 1.00 1.00 H new ATOM 0 HG3 ARG A 730 -0.142 -2.091 -9.002 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -1.242 -2.652 -10.990 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -0.750 -1.001 -11.311 1.00 1.00 H new ATOM 0 HE ARG A 730 0.688 -1.743 -12.967 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -0.406 -4.556 -11.092 1.00 1.00 H new ATOM 0 HH12 ARG A 730 0.459 -5.698 -12.126 1.00 1.00 H new ATOM 0 HH21 ARG A 730 1.849 -3.189 -14.189 1.00 1.00 H new ATOM 0 HH22 ARG A 730 1.733 -4.924 -13.876 1.00 1.00 H new ATOM 97 N ALA A 731 4.434 -1.504 -9.097 1.00 1.00 N ATOM 98 CA ALA A 731 5.607 -2.354 -9.095 1.00 1.00 C ATOM 99 C ALA A 731 6.058 -2.648 -7.674 1.00 1.00 C ATOM 100 O ALA A 731 6.370 -3.799 -7.382 1.00 1.00 O ATOM 101 CB ALA A 731 6.736 -1.698 -9.891 1.00 1.00 C ATOM 0 H ALA A 731 4.561 -0.636 -9.618 1.00 1.00 H new ATOM 0 HA ALA A 731 5.348 -3.300 -9.570 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.612 -2.347 -9.882 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.412 -1.540 -10.920 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.990 -0.739 -9.439 1.00 1.00 H new ATOM 107 N MET A 732 6.042 -1.661 -6.775 1.00 1.00 N ATOM 108 CA MET A 732 6.368 -1.926 -5.388 1.00 1.00 C ATOM 109 C MET A 732 5.407 -2.944 -4.789 1.00 1.00 C ATOM 110 O MET A 732 5.873 -3.878 -4.136 1.00 1.00 O ATOM 111 CB MET A 732 6.371 -0.643 -4.561 1.00 1.00 C ATOM 112 CG MET A 732 7.589 0.237 -4.834 1.00 1.00 C ATOM 113 SD MET A 732 7.573 1.819 -3.959 1.00 1.00 S ATOM 114 CE MET A 732 7.556 1.247 -2.243 1.00 1.00 C ATOM 0 H MET A 732 5.810 -0.690 -6.985 1.00 1.00 H new ATOM 0 HA MET A 732 7.374 -2.344 -5.362 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.465 -0.077 -4.775 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.344 -0.899 -3.502 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.489 -0.311 -4.554 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.652 0.428 -5.905 1.00 1.00 H new ATOM 0 HE1 MET A 732 7.811 2.075 -1.581 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.562 0.876 -1.993 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.284 0.446 -2.119 1.00 1.00 H new ATOM 124 N ILE A 733 4.097 -2.789 -4.989 1.00 1.00 N ATOM 125 CA ILE A 733 3.123 -3.742 -4.465 1.00 1.00 C ATOM 126 C ILE A 733 3.290 -5.113 -5.125 1.00 1.00 C ATOM 127 O ILE A 733 3.187 -6.118 -4.437 1.00 1.00 O ATOM 128 CB ILE A 733 1.660 -3.215 -4.508 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.551 -1.753 -4.018 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.774 -4.113 -3.633 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.260 -1.276 -3.346 1.00 1.00 C ATOM 0 H ILE A 733 3.689 -2.013 -5.510 1.00 1.00 H new ATOM 0 HA ILE A 733 3.336 -3.866 -3.403 1.00 1.00 H new ATOM 0 HB ILE A 733 1.328 -3.240 -5.546 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.367 -1.583 -3.316 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.730 -1.107 -4.877 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.253 -3.748 -3.660 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.806 -5.135 -4.011 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.139 -4.095 -2.606 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.361 -0.227 -3.067 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.574 -1.389 -4.039 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.073 -1.872 -2.453 1.00 1.00 H new ATOM 143 N VAL A 734 3.590 -5.191 -6.415 1.00 1.00 N ATOM 144 CA VAL A 734 3.805 -6.438 -7.147 1.00 1.00 C ATOM 145 C VAL A 734 5.066 -7.154 -6.627 1.00 1.00 C ATOM 146 O VAL A 734 5.074 -8.381 -6.430 1.00 1.00 O ATOM 147 CB VAL A 734 3.824 -6.082 -8.651 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.306 -7.215 -9.555 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.413 -5.686 -9.130 1.00 1.00 C ATOM 0 H VAL A 734 3.694 -4.363 -7.002 1.00 1.00 H new ATOM 0 HA VAL A 734 3.005 -7.162 -6.989 1.00 1.00 H new ATOM 0 HB VAL A 734 4.531 -5.256 -8.732 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.289 -6.884 -10.593 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.323 -7.493 -9.279 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.650 -8.078 -9.439 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.445 -5.439 -10.191 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.728 -6.519 -8.972 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.067 -4.820 -8.566 1.00 1.00 H new ATOM 159 N GLU A 735 6.134 -6.403 -6.356 1.00 1.00 N ATOM 160 CA GLU A 735 7.361 -6.943 -5.799 1.00 1.00 C ATOM 161 C GLU A 735 7.085 -7.437 -4.374 1.00 1.00 C ATOM 162 O GLU A 735 7.490 -8.544 -4.015 1.00 1.00 O ATOM 163 CB GLU A 735 8.441 -5.853 -5.847 1.00 1.00 C ATOM 164 CG GLU A 735 9.839 -6.419 -5.592 1.00 1.00 C ATOM 165 CD GLU A 735 10.853 -5.316 -5.311 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.048 -4.410 -6.155 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.457 -5.327 -4.218 1.00 1.00 O ATOM 0 H GLU A 735 6.166 -5.397 -6.520 1.00 1.00 H new ATOM 0 HA GLU A 735 7.722 -7.795 -6.376 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.420 -5.365 -6.821 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.218 -5.089 -5.102 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.805 -7.105 -4.746 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.161 -6.997 -6.458 1.00 1.00 H new ATOM 174 N PHE A 736 6.352 -6.652 -3.577 1.00 1.00 N ATOM 175 CA PHE A 736 5.940 -6.997 -2.221 1.00 1.00 C ATOM 176 C PHE A 736 5.008 -8.209 -2.223 1.00 1.00 C ATOM 177 O PHE A 736 5.100 -9.034 -1.317 1.00 1.00 O ATOM 178 CB PHE A 736 5.289 -5.765 -1.592 1.00 1.00 C ATOM 179 CG PHE A 736 4.580 -5.954 -0.263 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.243 -6.462 0.875 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.231 -5.561 -0.164 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.541 -6.586 2.089 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.536 -5.673 1.049 1.00 1.00 C ATOM 184 CZ PHE A 736 3.191 -6.202 2.168 1.00 1.00 C ATOM 0 H PHE A 736 6.022 -5.733 -3.871 1.00 1.00 H new ATOM 0 HA PHE A 736 6.805 -7.284 -1.624 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.061 -5.007 -1.458 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.569 -5.363 -2.305 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.281 -6.753 0.815 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.725 -5.168 -1.034 1.00 1.00 H new ATOM 0 HE1 PHE A 736 5.041 -6.977 2.962 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.506 -5.355 1.119 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.655 -6.316 3.099 1.00 1.00 H new ATOM 194 N MET A 737 4.148 -8.355 -3.235 1.00 1.00 N ATOM 195 CA MET A 737 3.282 -9.507 -3.424 1.00 1.00 C ATOM 196 C MET A 737 4.139 -10.753 -3.539 1.00 1.00 C ATOM 197 O MET A 737 3.955 -11.677 -2.743 1.00 1.00 O ATOM 198 CB MET A 737 2.360 -9.359 -4.643 1.00 1.00 C ATOM 199 CG MET A 737 1.106 -8.519 -4.389 1.00 1.00 C ATOM 200 SD MET A 737 -0.237 -9.386 -3.536 1.00 1.00 S ATOM 201 CE MET A 737 -0.638 -10.722 -4.706 1.00 1.00 C ATOM 0 H MET A 737 4.037 -7.650 -3.964 1.00 1.00 H new ATOM 0 HA MET A 737 2.625 -9.586 -2.557 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.926 -8.908 -5.458 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.056 -10.351 -4.976 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.385 -7.645 -3.801 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.732 -8.153 -5.345 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.639 -11.100 -4.498 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.600 -10.337 -5.725 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.085 -11.531 -4.596 1.00 1.00 H new ATOM 211 N ALA A 738 5.093 -10.761 -4.478 1.00 1.00 N ATOM 212 CA ALA A 738 5.971 -11.914 -4.631 1.00 1.00 C ATOM 213 C ALA A 738 6.764 -12.192 -3.344 1.00 1.00 C ATOM 214 O ALA A 738 6.906 -13.353 -2.949 1.00 1.00 O ATOM 215 CB ALA A 738 6.892 -11.714 -5.834 1.00 1.00 C ATOM 0 H ALA A 738 5.270 -9.996 -5.129 1.00 1.00 H new ATOM 0 HA ALA A 738 5.357 -12.796 -4.816 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.545 -12.581 -5.941 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.292 -11.598 -6.737 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.497 -10.820 -5.684 1.00 1.00 H new ATOM 221 N SER A 739 7.236 -11.134 -2.684 1.00 1.00 N ATOM 222 CA SER A 739 8.027 -11.177 -1.459 1.00 1.00 C ATOM 223 C SER A 739 7.231 -11.795 -0.297 1.00 1.00 C ATOM 224 O SER A 739 7.761 -12.631 0.430 1.00 1.00 O ATOM 225 CB SER A 739 8.479 -9.738 -1.163 1.00 1.00 C ATOM 226 OG SER A 739 9.447 -9.636 -0.144 1.00 1.00 O ATOM 0 H SER A 739 7.068 -10.181 -3.006 1.00 1.00 H new ATOM 0 HA SER A 739 8.899 -11.819 -1.582 1.00 1.00 H new ATOM 0 HB2 SER A 739 8.881 -9.300 -2.076 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.608 -9.146 -0.882 1.00 1.00 H new ATOM 0 HG SER A 739 10.020 -8.859 -0.314 1.00 1.00 H new ATOM 232 N LYS A 740 5.978 -11.369 -0.083 1.00 1.00 N ATOM 233 CA LYS A 740 5.072 -11.772 1.001 1.00 1.00 C ATOM 234 C LYS A 740 5.744 -11.841 2.370 1.00 1.00 C ATOM 235 O LYS A 740 5.652 -12.846 3.076 1.00 1.00 O ATOM 236 CB LYS A 740 4.142 -12.944 0.624 1.00 1.00 C ATOM 237 CG LYS A 740 4.850 -14.270 0.310 1.00 1.00 C ATOM 238 CD LYS A 740 3.815 -15.382 0.103 1.00 1.00 C ATOM 239 CE LYS A 740 4.443 -16.766 -0.063 1.00 1.00 C ATOM 240 NZ LYS A 740 5.044 -17.246 1.195 1.00 1.00 N ATOM 0 H LYS A 740 5.542 -10.688 -0.705 1.00 1.00 H new ATOM 0 HA LYS A 740 4.368 -10.950 1.133 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.443 -13.110 1.444 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.551 -12.652 -0.244 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.463 -14.161 -0.585 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.522 -14.535 1.126 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.134 -15.399 0.954 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.217 -15.153 -0.779 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.683 -17.473 -0.396 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.206 -16.729 -0.840 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 5.369 -18.226 1.072 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 5.852 -16.642 1.446 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 4.335 -17.209 1.955 1.00 1.00 H new ATOM 253 N LYS A 741 6.399 -10.739 2.750 1.00 1.00 N ATOM 254 CA LYS A 741 7.016 -10.558 4.055 1.00 1.00 C ATOM 255 C LYS A 741 5.956 -10.572 5.151 1.00 1.00 C ATOM 256 O LYS A 741 5.754 -11.618 5.755 1.00 1.00 O ATOM 257 CB LYS A 741 7.829 -9.252 4.021 1.00 1.00 C ATOM 258 CG LYS A 741 9.174 -9.525 3.349 1.00 1.00 C ATOM 259 CD LYS A 741 10.163 -8.377 3.552 1.00 1.00 C ATOM 260 CE LYS A 741 11.377 -8.523 2.626 1.00 1.00 C ATOM 261 NZ LYS A 741 12.217 -9.682 2.971 1.00 1.00 N ATOM 0 H LYS A 741 6.514 -9.931 2.138 1.00 1.00 H new ATOM 0 HA LYS A 741 7.695 -11.379 4.285 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.284 -8.482 3.475 1.00 1.00 H new ATOM 0 HB3 LYS A 741 7.982 -8.877 5.033 1.00 1.00 H new ATOM 0 HG2 LYS A 741 9.599 -10.444 3.751 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.020 -9.685 2.282 1.00 1.00 H new ATOM 0 HD2 LYS A 741 9.666 -7.426 3.358 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.494 -8.358 4.590 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.034 -8.622 1.596 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.979 -7.615 2.676 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.022 -9.734 2.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.569 -9.578 3.944 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 11.654 -10.553 2.898 1.00 1.00 H new ATOM 274 N MET A 742 5.279 -9.446 5.375 1.00 1.00 N ATOM 275 CA MET A 742 4.158 -9.237 6.287 1.00 1.00 C ATOM 276 C MET A 742 3.460 -7.965 5.845 1.00 1.00 C ATOM 277 O MET A 742 2.341 -8.039 5.349 1.00 1.00 O ATOM 278 CB MET A 742 4.562 -9.107 7.769 1.00 1.00 C ATOM 279 CG MET A 742 4.808 -10.414 8.524 1.00 1.00 C ATOM 280 SD MET A 742 3.324 -11.429 8.785 1.00 1.00 S ATOM 281 CE MET A 742 3.406 -12.619 7.422 1.00 1.00 C ATOM 0 H MET A 742 5.522 -8.587 4.882 1.00 1.00 H new ATOM 0 HA MET A 742 3.516 -10.116 6.236 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.469 -8.505 7.824 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.780 -8.554 8.289 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.543 -11.003 7.974 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.248 -10.181 9.494 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.748 -13.461 7.634 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.090 -12.136 6.498 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.430 -12.977 7.313 1.00 1.00 H new ATOM 291 N GLN A 743 4.124 -6.815 5.962 1.00 1.00 N ATOM 292 CA GLN A 743 3.540 -5.515 5.667 1.00 1.00 C ATOM 293 C GLN A 743 4.558 -4.623 4.962 1.00 1.00 C ATOM 294 O GLN A 743 5.742 -4.964 4.903 1.00 1.00 O ATOM 295 CB GLN A 743 2.922 -4.907 6.940 1.00 1.00 C ATOM 296 CG GLN A 743 3.864 -4.712 8.137 1.00 1.00 C ATOM 297 CD GLN A 743 4.711 -3.451 8.014 1.00 1.00 C ATOM 298 OE1 GLN A 743 4.302 -2.378 8.450 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.898 -3.533 7.441 1.00 1.00 N ATOM 0 H GLN A 743 5.095 -6.764 6.269 1.00 1.00 H new ATOM 0 HA GLN A 743 2.714 -5.622 4.964 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.495 -3.938 6.682 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.097 -5.545 7.256 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.276 -4.663 9.054 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.519 -5.579 8.225 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.230 -4.428 7.082 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.483 -2.701 7.358 1.00 1.00 H new ATOM 308 N LEU A 744 4.099 -3.517 4.382 1.00 1.00 N ATOM 309 CA LEU A 744 4.927 -2.501 3.769 1.00 1.00 C ATOM 310 C LEU A 744 4.227 -1.175 4.049 1.00 1.00 C ATOM 311 O LEU A 744 3.013 -1.046 3.850 1.00 1.00 O ATOM 312 CB LEU A 744 5.070 -2.783 2.269 1.00 1.00 C ATOM 313 CG LEU A 744 6.291 -2.113 1.598 1.00 1.00 C ATOM 314 CD1 LEU A 744 6.386 -2.596 0.147 1.00 1.00 C ATOM 315 CD2 LEU A 744 6.325 -0.583 1.617 1.00 1.00 C ATOM 0 H LEU A 744 3.103 -3.303 4.328 1.00 1.00 H new ATOM 0 HA LEU A 744 5.940 -2.483 4.170 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.137 -3.861 2.121 1.00 1.00 H new ATOM 0 HB3 LEU A 744 4.165 -2.448 1.762 1.00 1.00 H new ATOM 0 HG LEU A 744 7.145 -2.417 2.204 1.00 1.00 H new ATOM 0 HD11 LEU A 744 7.244 -2.129 -0.336 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.505 -3.679 0.131 1.00 1.00 H new ATOM 0 HD13 LEU A 744 5.476 -2.323 -0.388 1.00 1.00 H new ATOM 0 HD21 LEU A 744 7.228 -0.233 1.117 1.00 1.00 H new ATOM 0 HD22 LEU A 744 5.449 -0.193 1.099 1.00 1.00 H new ATOM 0 HD23 LEU A 744 6.322 -0.232 2.649 1.00 1.00 H new ATOM 327 N GLU A 745 4.988 -0.211 4.549 1.00 1.00 N ATOM 328 CA GLU A 745 4.555 1.115 4.905 1.00 1.00 C ATOM 329 C GLU A 745 4.794 2.056 3.720 1.00 1.00 C ATOM 330 O GLU A 745 5.940 2.287 3.311 1.00 1.00 O ATOM 331 CB GLU A 745 5.406 1.548 6.096 1.00 1.00 C ATOM 332 CG GLU A 745 5.151 0.729 7.367 1.00 1.00 C ATOM 333 CD GLU A 745 6.280 0.971 8.366 1.00 1.00 C ATOM 334 OE1 GLU A 745 6.460 2.125 8.821 1.00 1.00 O ATOM 335 OE2 GLU A 745 7.073 0.035 8.629 1.00 1.00 O ATOM 0 H GLU A 745 5.983 -0.352 4.724 1.00 1.00 H new ATOM 0 HA GLU A 745 3.495 1.139 5.157 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.459 1.466 5.827 1.00 1.00 H new ATOM 0 HB3 GLU A 745 5.211 2.600 6.307 1.00 1.00 H new ATOM 0 HG2 GLU A 745 4.195 1.011 7.808 1.00 1.00 H new ATOM 0 HG3 GLU A 745 5.089 -0.331 7.122 1.00 1.00 H new ATOM 342 N PHE A 746 3.720 2.589 3.152 1.00 1.00 N ATOM 343 CA PHE A 746 3.737 3.589 2.095 1.00 1.00 C ATOM 344 C PHE A 746 3.632 4.962 2.806 1.00 1.00 C ATOM 345 O PHE A 746 3.026 5.068 3.878 1.00 1.00 O ATOM 346 CB PHE A 746 2.622 3.278 1.077 1.00 1.00 C ATOM 347 CG PHE A 746 2.970 2.187 0.075 1.00 1.00 C ATOM 348 CD1 PHE A 746 2.970 0.832 0.463 1.00 1.00 C ATOM 349 CD2 PHE A 746 3.302 2.515 -1.256 1.00 1.00 C ATOM 350 CE1 PHE A 746 3.335 -0.170 -0.453 1.00 1.00 C ATOM 351 CE2 PHE A 746 3.682 1.513 -2.166 1.00 1.00 C ATOM 352 CZ PHE A 746 3.714 0.172 -1.760 1.00 1.00 C ATOM 0 H PHE A 746 2.774 2.324 3.428 1.00 1.00 H new ATOM 0 HA PHE A 746 4.649 3.592 1.499 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.724 2.983 1.620 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.380 4.190 0.532 1.00 1.00 H new ATOM 0 HD1 PHE A 746 2.688 0.562 1.470 1.00 1.00 H new ATOM 0 HD2 PHE A 746 3.264 3.545 -1.579 1.00 1.00 H new ATOM 0 HE1 PHE A 746 3.324 -1.206 -0.150 1.00 1.00 H new ATOM 0 HE2 PHE A 746 3.949 1.777 -3.179 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.029 -0.596 -2.451 1.00 1.00 H new ATOM 362 N PRO A 747 4.198 6.041 2.244 1.00 1.00 N ATOM 363 CA PRO A 747 4.246 7.337 2.916 1.00 1.00 C ATOM 364 C PRO A 747 2.896 8.070 2.990 1.00 1.00 C ATOM 365 O PRO A 747 2.060 7.929 2.095 1.00 1.00 O ATOM 366 CB PRO A 747 5.259 8.143 2.105 1.00 1.00 C ATOM 367 CG PRO A 747 5.138 7.572 0.693 1.00 1.00 C ATOM 368 CD PRO A 747 4.868 6.093 0.954 1.00 1.00 C ATOM 0 HA PRO A 747 4.521 7.207 3.963 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.030 9.209 2.126 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.269 8.026 2.498 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.327 8.040 0.135 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.050 7.722 0.116 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.244 5.664 0.170 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.796 5.522 0.971 1.00 1.00 H new ATOM 376 N PRO A 748 2.699 8.966 3.978 1.00 1.00 N ATOM 377 CA PRO A 748 1.495 9.792 4.067 1.00 1.00 C ATOM 378 C PRO A 748 1.388 10.766 2.894 1.00 1.00 C ATOM 379 O PRO A 748 0.282 11.193 2.557 1.00 1.00 O ATOM 380 CB PRO A 748 1.607 10.562 5.376 1.00 1.00 C ATOM 381 CG PRO A 748 3.121 10.678 5.574 1.00 1.00 C ATOM 382 CD PRO A 748 3.644 9.354 5.018 1.00 1.00 C ATOM 0 HA PRO A 748 0.602 9.168 4.033 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.132 11.541 5.311 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.131 10.030 6.200 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.534 11.532 5.037 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.382 10.806 6.625 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.649 9.469 4.612 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.701 8.596 5.799 1.00 1.00 H new ATOM 390 N SER A 749 2.532 11.085 2.284 1.00 1.00 N ATOM 391 CA SER A 749 2.743 11.904 1.105 1.00 1.00 C ATOM 392 C SER A 749 1.780 11.578 -0.035 1.00 1.00 C ATOM 393 O SER A 749 1.554 12.443 -0.881 1.00 1.00 O ATOM 394 CB SER A 749 4.214 11.742 0.710 1.00 1.00 C ATOM 395 OG SER A 749 5.002 12.060 1.850 1.00 1.00 O ATOM 0 H SER A 749 3.419 10.736 2.647 1.00 1.00 H new ATOM 0 HA SER A 749 2.525 12.948 1.331 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.412 10.722 0.380 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.462 12.400 -0.123 1.00 1.00 H new ATOM 0 HG SER A 749 5.952 11.964 1.628 1.00 1.00 H new ATOM 401 N LEU A 750 1.217 10.361 -0.080 1.00 1.00 N ATOM 402 CA LEU A 750 0.198 10.003 -1.052 1.00 1.00 C ATOM 403 C LEU A 750 -0.977 10.870 -0.643 1.00 1.00 C ATOM 404 O LEU A 750 -1.586 10.617 0.401 1.00 1.00 O ATOM 405 CB LEU A 750 -0.102 8.499 -0.943 1.00 1.00 C ATOM 406 CG LEU A 750 0.879 7.552 -1.666 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.137 8.238 -2.185 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.235 6.323 -0.833 1.00 1.00 C ATOM 0 H LEU A 750 1.462 9.605 0.560 1.00 1.00 H new ATOM 0 HA LEU A 750 0.475 10.168 -2.093 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.122 8.230 0.113 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.103 8.320 -1.336 1.00 1.00 H new ATOM 0 HG LEU A 750 0.328 7.215 -2.544 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.774 7.505 -2.680 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.860 9.016 -2.896 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.678 8.684 -1.351 1.00 1.00 H new ATOM 0 HD21 LEU A 750 1.928 5.693 -1.391 1.00 1.00 H new ATOM 0 HD22 LEU A 750 1.703 6.639 0.100 1.00 1.00 H new ATOM 0 HD23 LEU A 750 0.329 5.759 -0.612 1.00 1.00 H new ATOM 420 N ASN A 751 -1.333 11.825 -1.506 1.00 1.00 N ATOM 421 CA ASN A 751 -2.357 12.817 -1.185 1.00 1.00 C ATOM 422 C ASN A 751 -3.721 12.172 -1.017 1.00 1.00 C ATOM 423 O ASN A 751 -4.188 12.027 0.109 1.00 1.00 O ATOM 424 CB ASN A 751 -2.364 13.947 -2.218 1.00 1.00 C ATOM 425 CG ASN A 751 -1.009 14.623 -2.372 1.00 1.00 C ATOM 426 OD1 ASN A 751 -0.389 14.529 -3.429 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.504 15.275 -1.341 1.00 1.00 N ATOM 0 H ASN A 751 -0.925 11.931 -2.435 1.00 1.00 H new ATOM 0 HA ASN A 751 -2.109 13.266 -0.223 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -2.676 13.547 -3.183 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -3.104 14.692 -1.927 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.415 15.711 -1.414 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -1.033 15.343 -0.472 1.00 1.00 H new ATOM 434 N SER A 752 -4.313 11.733 -2.123 1.00 1.00 N ATOM 435 CA SER A 752 -5.559 10.987 -2.171 1.00 1.00 C ATOM 436 C SER A 752 -5.449 10.026 -3.338 1.00 1.00 C ATOM 437 O SER A 752 -5.442 8.830 -3.096 1.00 1.00 O ATOM 438 CB SER A 752 -6.796 11.884 -2.246 1.00 1.00 C ATOM 439 OG SER A 752 -6.960 12.561 -1.016 1.00 1.00 O ATOM 0 H SER A 752 -3.918 11.896 -3.049 1.00 1.00 H new ATOM 0 HA SER A 752 -5.703 10.436 -1.241 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.689 12.603 -3.058 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.680 11.285 -2.465 1.00 1.00 H new ATOM 0 HG SER A 752 -6.193 12.374 -0.435 1.00 1.00 H new ATOM 445 N HIS A 753 -5.256 10.508 -4.572 1.00 1.00 N ATOM 446 CA HIS A 753 -5.175 9.646 -5.753 1.00 1.00 C ATOM 447 C HIS A 753 -4.150 8.524 -5.598 1.00 1.00 C ATOM 448 O HIS A 753 -4.423 7.386 -5.978 1.00 1.00 O ATOM 449 CB HIS A 753 -4.825 10.470 -7.005 1.00 1.00 C ATOM 450 CG HIS A 753 -5.863 11.484 -7.398 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.922 11.256 -8.250 1.00 1.00 N ATOM 452 CD2 HIS A 753 -5.906 12.799 -7.021 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.612 12.400 -8.363 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.049 13.358 -7.604 1.00 1.00 N ATOM 0 H HIS A 753 -5.152 11.502 -4.777 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.159 9.191 -5.863 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.880 10.985 -6.832 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.668 9.788 -7.841 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -5.192 13.309 -6.392 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.492 12.533 -8.975 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.390 14.311 -7.478 1.00 1.00 H new ATOM 462 N ASP A 754 -2.974 8.818 -5.041 1.00 1.00 N ATOM 463 CA ASP A 754 -1.886 7.870 -4.910 1.00 1.00 C ATOM 464 C ASP A 754 -2.254 6.846 -3.833 1.00 1.00 C ATOM 465 O ASP A 754 -1.995 5.655 -3.970 1.00 1.00 O ATOM 466 CB ASP A 754 -0.633 8.677 -4.539 1.00 1.00 C ATOM 467 CG ASP A 754 -0.448 9.890 -5.438 1.00 1.00 C ATOM 468 OD1 ASP A 754 0.035 9.734 -6.581 1.00 1.00 O ATOM 469 OD2 ASP A 754 -0.980 10.952 -5.041 1.00 1.00 O ATOM 0 H ASP A 754 -2.755 9.740 -4.664 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.697 7.319 -5.831 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.706 9.003 -3.501 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.245 8.036 -4.611 1.00 1.00 H new ATOM 474 N ARG A 755 -2.911 7.304 -2.763 1.00 1.00 N ATOM 475 CA ARG A 755 -3.309 6.497 -1.615 1.00 1.00 C ATOM 476 C ARG A 755 -4.448 5.565 -2.003 1.00 1.00 C ATOM 477 O ARG A 755 -4.397 4.374 -1.710 1.00 1.00 O ATOM 478 CB ARG A 755 -3.733 7.428 -0.466 1.00 1.00 C ATOM 479 CG ARG A 755 -3.943 6.633 0.823 1.00 1.00 C ATOM 480 CD ARG A 755 -4.276 7.533 2.012 1.00 1.00 C ATOM 481 NE ARG A 755 -3.197 8.483 2.342 1.00 1.00 N ATOM 482 CZ ARG A 755 -2.957 8.991 3.556 1.00 1.00 C ATOM 483 NH1 ARG A 755 -3.721 8.686 4.605 1.00 1.00 N ATOM 484 NH2 ARG A 755 -1.939 9.822 3.722 1.00 1.00 N ATOM 0 H ARG A 755 -3.188 8.282 -2.673 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.469 5.886 -1.285 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.970 8.191 -0.309 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.653 7.948 -0.733 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.750 5.915 0.677 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.043 6.060 1.045 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -5.187 8.090 1.794 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.483 6.911 2.883 1.00 1.00 H new ATOM 0 HE ARG A 755 -2.583 8.777 1.582 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -4.511 8.051 4.493 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -3.515 9.088 5.520 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -1.347 10.069 2.929 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -1.747 10.215 4.643 1.00 1.00 H new ATOM 498 N LEU A 756 -5.466 6.109 -2.667 1.00 1.00 N ATOM 499 CA LEU A 756 -6.598 5.384 -3.205 1.00 1.00 C ATOM 500 C LEU A 756 -6.099 4.312 -4.159 1.00 1.00 C ATOM 501 O LEU A 756 -6.593 3.193 -4.126 1.00 1.00 O ATOM 502 CB LEU A 756 -7.568 6.381 -3.824 1.00 1.00 C ATOM 503 CG LEU A 756 -8.607 5.790 -4.799 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.927 6.546 -4.671 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.141 5.910 -6.256 1.00 1.00 C ATOM 0 H LEU A 756 -5.519 7.111 -2.849 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.152 4.857 -2.428 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -8.100 6.889 -3.020 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.991 7.140 -4.353 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.731 4.738 -4.542 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.657 6.124 -5.362 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -10.300 6.457 -3.651 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.768 7.598 -4.909 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.897 5.484 -6.916 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.992 6.961 -6.505 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.202 5.371 -6.383 1.00 1.00 H new ATOM 517 N ARG A 757 -5.089 4.618 -4.973 1.00 1.00 N ATOM 518 CA ARG A 757 -4.494 3.618 -5.840 1.00 1.00 C ATOM 519 C ARG A 757 -3.807 2.532 -5.024 1.00 1.00 C ATOM 520 O ARG A 757 -4.074 1.369 -5.288 1.00 1.00 O ATOM 521 CB ARG A 757 -3.590 4.305 -6.843 1.00 1.00 C ATOM 522 CG ARG A 757 -3.083 3.406 -7.967 1.00 1.00 C ATOM 523 CD ARG A 757 -4.183 2.797 -8.844 1.00 1.00 C ATOM 524 NE ARG A 757 -3.602 2.164 -10.042 1.00 1.00 N ATOM 525 CZ ARG A 757 -3.778 0.893 -10.432 1.00 1.00 C ATOM 526 NH1 ARG A 757 -4.726 0.145 -9.886 1.00 1.00 N ATOM 527 NH2 ARG A 757 -2.987 0.356 -11.353 1.00 1.00 N ATOM 0 H ARG A 757 -4.672 5.546 -5.046 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.265 3.099 -6.410 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -4.130 5.144 -7.283 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.732 4.720 -6.314 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.410 3.984 -8.601 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.495 2.598 -7.531 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.744 2.058 -8.272 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.889 3.572 -9.142 1.00 1.00 H new ATOM 0 HE ARG A 757 -3.009 2.749 -10.631 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.330 0.535 -9.162 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -4.852 -0.821 -10.190 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -2.239 0.911 -11.769 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -3.127 -0.611 -11.644 1.00 1.00 H new ATOM 541 N VAL A 758 -2.959 2.868 -4.047 1.00 1.00 N ATOM 542 CA VAL A 758 -2.348 1.875 -3.152 1.00 1.00 C ATOM 543 C VAL A 758 -3.430 0.950 -2.570 1.00 1.00 C ATOM 544 O VAL A 758 -3.277 -0.273 -2.649 1.00 1.00 O ATOM 545 CB VAL A 758 -1.460 2.567 -2.086 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.006 1.634 -0.951 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.182 3.115 -2.745 1.00 1.00 C ATOM 0 H VAL A 758 -2.677 3.829 -3.853 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.673 1.232 -3.717 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.084 3.353 -1.660 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.389 2.192 -0.246 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.880 1.238 -0.434 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.426 0.810 -1.367 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.437 3.600 -1.990 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.374 2.294 -3.198 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.451 3.839 -3.514 1.00 1.00 H new ATOM 557 N HIS A 759 -4.527 1.512 -2.045 1.00 1.00 N ATOM 558 CA HIS A 759 -5.665 0.739 -1.560 1.00 1.00 C ATOM 559 C HIS A 759 -6.198 -0.178 -2.666 1.00 1.00 C ATOM 560 O HIS A 759 -6.274 -1.384 -2.465 1.00 1.00 O ATOM 561 CB HIS A 759 -6.783 1.656 -1.033 1.00 1.00 C ATOM 562 CG HIS A 759 -6.501 2.409 0.247 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.070 1.869 1.438 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.733 3.741 0.465 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.033 2.857 2.346 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.450 4.017 1.812 1.00 1.00 N ATOM 0 H HIS A 759 -4.645 2.520 -1.947 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.322 0.123 -0.729 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.020 2.383 -1.810 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.676 1.050 -0.881 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -7.074 4.454 -0.271 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.711 2.735 3.370 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.542 4.915 2.288 1.00 1.00 H new ATOM 574 N GLN A 760 -6.541 0.369 -3.832 1.00 1.00 N ATOM 575 CA GLN A 760 -7.155 -0.340 -4.944 1.00 1.00 C ATOM 576 C GLN A 760 -6.287 -1.500 -5.446 1.00 1.00 C ATOM 577 O GLN A 760 -6.832 -2.577 -5.670 1.00 1.00 O ATOM 578 CB GLN A 760 -7.532 0.667 -6.039 1.00 1.00 C ATOM 579 CG GLN A 760 -8.824 1.417 -5.658 1.00 1.00 C ATOM 580 CD GLN A 760 -9.216 2.521 -6.640 1.00 1.00 C ATOM 581 OE1 GLN A 760 -8.463 2.903 -7.535 1.00 1.00 O ATOM 582 NE2 GLN A 760 -10.416 3.063 -6.508 1.00 1.00 N ATOM 0 H GLN A 760 -6.391 1.358 -4.031 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.073 -0.818 -4.602 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.719 1.379 -6.182 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.672 0.148 -6.987 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.641 0.699 -5.589 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.699 1.854 -4.667 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -11.040 2.746 -5.766 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.717 3.798 -7.148 1.00 1.00 H new ATOM 591 N ILE A 761 -4.974 -1.337 -5.638 1.00 1.00 N ATOM 592 CA ILE A 761 -4.063 -2.414 -6.002 1.00 1.00 C ATOM 593 C ILE A 761 -4.062 -3.475 -4.894 1.00 1.00 C ATOM 594 O ILE A 761 -4.134 -4.670 -5.174 1.00 1.00 O ATOM 595 CB ILE A 761 -2.654 -1.824 -6.224 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.712 -0.708 -7.284 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.678 -2.941 -6.658 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.423 0.106 -7.438 1.00 1.00 C ATOM 0 H ILE A 761 -4.511 -0.433 -5.542 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.385 -2.894 -6.926 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.293 -1.393 -5.290 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.959 -1.155 -8.247 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.525 -0.028 -7.030 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.686 -2.517 -6.813 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.630 -3.704 -5.881 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.029 -3.391 -7.587 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.562 0.866 -8.207 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.182 0.588 -6.491 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.607 -0.556 -7.727 1.00 1.00 H new ATOM 610 N ALA A 762 -3.978 -3.068 -3.627 1.00 1.00 N ATOM 611 CA ALA A 762 -4.024 -4.028 -2.533 1.00 1.00 C ATOM 612 C ALA A 762 -5.345 -4.809 -2.511 1.00 1.00 C ATOM 613 O ALA A 762 -5.345 -6.002 -2.200 1.00 1.00 O ATOM 614 CB ALA A 762 -3.735 -3.288 -1.225 1.00 1.00 C ATOM 0 H ALA A 762 -3.879 -2.094 -3.339 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.256 -4.788 -2.674 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.765 -3.993 -0.394 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.747 -2.830 -1.277 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.486 -2.513 -1.072 1.00 1.00 H new ATOM 620 N GLU A 763 -6.445 -4.153 -2.874 1.00 1.00 N ATOM 621 CA GLU A 763 -7.785 -4.707 -2.965 1.00 1.00 C ATOM 622 C GLU A 763 -7.967 -5.579 -4.217 1.00 1.00 C ATOM 623 O GLU A 763 -8.812 -6.475 -4.221 1.00 1.00 O ATOM 624 CB GLU A 763 -8.773 -3.532 -2.951 1.00 1.00 C ATOM 625 CG GLU A 763 -10.171 -3.934 -2.492 1.00 1.00 C ATOM 626 CD GLU A 763 -11.055 -2.701 -2.313 1.00 1.00 C ATOM 627 OE1 GLU A 763 -10.805 -1.868 -1.415 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.060 -2.560 -3.048 1.00 1.00 O ATOM 0 H GLU A 763 -6.419 -3.165 -3.126 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.968 -5.368 -2.117 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.391 -2.751 -2.293 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.834 -3.104 -3.952 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.620 -4.607 -3.223 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.107 -4.482 -1.552 1.00 1.00 H new ATOM 635 N GLU A 764 -7.216 -5.320 -5.293 1.00 1.00 N ATOM 636 CA GLU A 764 -7.166 -6.099 -6.512 1.00 1.00 C ATOM 637 C GLU A 764 -6.495 -7.424 -6.177 1.00 1.00 C ATOM 638 O GLU A 764 -6.939 -8.484 -6.626 1.00 1.00 O ATOM 639 CB GLU A 764 -6.375 -5.296 -7.560 1.00 1.00 C ATOM 640 CG GLU A 764 -6.025 -6.138 -8.777 1.00 1.00 C ATOM 641 CD GLU A 764 -5.427 -5.341 -9.941 1.00 1.00 C ATOM 642 OE1 GLU A 764 -4.635 -4.389 -9.736 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.727 -5.686 -11.109 1.00 1.00 O ATOM 0 H GLU A 764 -6.595 -4.512 -5.327 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.155 -6.303 -6.922 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.961 -4.432 -7.873 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.460 -4.913 -7.108 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -5.317 -6.911 -8.479 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -6.924 -6.647 -9.124 1.00 1.00 H new ATOM 650 N HIS A 765 -5.419 -7.365 -5.393 1.00 1.00 N ATOM 651 CA HIS A 765 -4.733 -8.517 -4.890 1.00 1.00 C ATOM 652 C HIS A 765 -5.433 -8.939 -3.593 1.00 1.00 C ATOM 653 O HIS A 765 -6.630 -8.715 -3.395 1.00 1.00 O ATOM 654 CB HIS A 765 -3.250 -8.187 -4.721 1.00 1.00 C ATOM 655 CG HIS A 765 -2.575 -7.701 -5.978 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.532 -8.333 -7.201 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.935 -6.505 -6.106 1.00 1.00 C ATOM 658 CE1 HIS A 765 -1.904 -7.501 -8.053 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.500 -6.382 -7.429 1.00 1.00 N ATOM 0 H HIS A 765 -5.003 -6.484 -5.092 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.772 -9.362 -5.577 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.145 -7.425 -3.949 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.730 -9.076 -4.364 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.789 -5.778 -5.321 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.746 -7.706 -9.101 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -0.983 -5.603 -7.836 1.00 1.00 H new ATOM 667 N GLY A 766 -4.680 -9.580 -2.716 1.00 1.00 N ATOM 668 CA GLY A 766 -5.091 -10.161 -1.469 1.00 1.00 C ATOM 669 C GLY A 766 -4.310 -9.530 -0.332 1.00 1.00 C ATOM 670 O GLY A 766 -3.549 -10.219 0.368 1.00 1.00 O ATOM 0 H GLY A 766 -3.682 -9.713 -2.881 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.160 -10.007 -1.319 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.923 -11.238 -1.485 1.00 1.00 H new ATOM 674 N LEU A 767 -4.455 -8.209 -0.185 1.00 1.00 N ATOM 675 CA LEU A 767 -3.764 -7.451 0.836 1.00 1.00 C ATOM 676 C LEU A 767 -4.727 -6.601 1.649 1.00 1.00 C ATOM 677 O LEU A 767 -5.745 -6.140 1.132 1.00 1.00 O ATOM 678 CB LEU A 767 -2.807 -6.433 0.192 1.00 1.00 C ATOM 679 CG LEU A 767 -1.777 -6.898 -0.830 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.858 -5.750 -1.236 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.881 -7.978 -0.259 1.00 1.00 C ATOM 0 H LEU A 767 -5.060 -7.643 -0.779 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.249 -8.185 1.456 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.420 -5.671 -0.289 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.264 -5.942 1.000 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.342 -7.274 -1.683 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.131 -6.106 -1.966 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.451 -4.948 -1.676 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.335 -5.375 -0.357 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.158 -8.287 -1.014 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.353 -7.590 0.612 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.487 -8.835 0.036 1.00 1.00 H new ATOM 693 N ARG A 768 -4.415 -6.411 2.930 1.00 1.00 N ATOM 694 CA ARG A 768 -5.176 -5.509 3.787 1.00 1.00 C ATOM 695 C ARG A 768 -4.523 -4.154 3.487 1.00 1.00 C ATOM 696 O ARG A 768 -3.331 -4.121 3.181 1.00 1.00 O ATOM 697 CB ARG A 768 -5.051 -5.892 5.270 1.00 1.00 C ATOM 698 CG ARG A 768 -5.884 -4.955 6.161 1.00 1.00 C ATOM 699 CD ARG A 768 -5.807 -5.385 7.625 1.00 1.00 C ATOM 700 NE ARG A 768 -6.689 -4.582 8.486 1.00 1.00 N ATOM 701 CZ ARG A 768 -6.970 -4.854 9.767 1.00 1.00 C ATOM 702 NH1 ARG A 768 -6.371 -5.859 10.398 1.00 1.00 N ATOM 703 NH2 ARG A 768 -7.853 -4.108 10.411 1.00 1.00 N ATOM 0 H ARG A 768 -3.635 -6.874 3.398 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.249 -5.525 3.597 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.382 -6.921 5.411 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.005 -5.849 5.572 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.522 -3.932 6.059 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.923 -4.960 5.830 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -6.080 -6.437 7.708 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -4.779 -5.294 7.975 1.00 1.00 H new ATOM 0 HE ARG A 768 -7.120 -3.754 8.076 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -5.687 -6.435 9.906 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -6.595 -6.054 11.374 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -8.313 -3.334 9.932 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -8.074 -4.307 11.387 1.00 1.00 H new ATOM 717 N HIS A 769 -5.252 -3.048 3.534 1.00 1.00 N ATOM 718 CA HIS A 769 -4.739 -1.738 3.168 1.00 1.00 C ATOM 719 C HIS A 769 -5.410 -0.705 4.060 1.00 1.00 C ATOM 720 O HIS A 769 -6.629 -0.560 4.003 1.00 1.00 O ATOM 721 CB HIS A 769 -5.071 -1.497 1.680 1.00 1.00 C ATOM 722 CG HIS A 769 -6.490 -1.807 1.233 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.618 -1.028 1.403 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.889 -2.970 0.629 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.669 -1.708 0.918 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.277 -2.916 0.479 1.00 1.00 N ATOM 0 H HIS A 769 -6.228 -3.036 3.831 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.660 -1.668 3.302 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -4.864 -0.452 1.451 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.387 -2.096 1.079 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.246 -3.782 0.324 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.683 -1.338 0.885 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -8.877 -3.652 0.108 1.00 1.00 H new ATOM 734 N ASP A 770 -4.672 0.025 4.885 1.00 1.00 N ATOM 735 CA ASP A 770 -5.269 1.011 5.799 1.00 1.00 C ATOM 736 C ASP A 770 -4.242 2.078 6.181 1.00 1.00 C ATOM 737 O ASP A 770 -3.076 1.958 5.815 1.00 1.00 O ATOM 738 CB ASP A 770 -5.826 0.279 7.031 1.00 1.00 C ATOM 739 CG ASP A 770 -6.626 1.167 7.986 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.198 2.206 7.566 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.718 0.795 9.177 1.00 1.00 O ATOM 0 H ASP A 770 -3.656 -0.041 4.946 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.092 1.527 5.305 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -6.463 -0.539 6.695 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.996 -0.168 7.579 1.00 1.00 H new ATOM 746 N SER A 771 -4.631 3.104 6.934 1.00 1.00 N ATOM 747 CA SER A 771 -3.704 4.111 7.413 1.00 1.00 C ATOM 748 C SER A 771 -3.217 3.694 8.799 1.00 1.00 C ATOM 749 O SER A 771 -3.853 2.895 9.500 1.00 1.00 O ATOM 750 CB SER A 771 -4.381 5.477 7.505 1.00 1.00 C ATOM 751 OG SER A 771 -4.856 5.967 6.261 1.00 1.00 O ATOM 0 H SER A 771 -5.597 3.255 7.226 1.00 1.00 H new ATOM 0 HA SER A 771 -2.870 4.191 6.716 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.217 5.411 8.202 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.674 6.195 7.921 1.00 1.00 H new ATOM 0 HG SER A 771 -4.153 6.494 5.827 1.00 1.00 H new ATOM 757 N SER A 772 -2.081 4.253 9.188 1.00 1.00 N ATOM 758 CA SER A 772 -1.346 3.957 10.402 1.00 1.00 C ATOM 759 C SER A 772 -0.687 5.241 10.902 1.00 1.00 C ATOM 760 O SER A 772 -0.636 6.234 10.174 1.00 1.00 O ATOM 761 CB SER A 772 -0.292 2.905 10.061 1.00 1.00 C ATOM 762 OG SER A 772 -0.890 1.700 9.627 1.00 1.00 O ATOM 0 H SER A 772 -1.622 4.970 8.627 1.00 1.00 H new ATOM 0 HA SER A 772 -2.002 3.577 11.185 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.368 3.287 9.282 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.328 2.711 10.936 1.00 1.00 H new ATOM 0 HG SER A 772 -0.627 0.970 10.226 1.00 1.00 H new ATOM 768 N GLY A 773 -0.201 5.244 12.139 1.00 1.00 N ATOM 769 CA GLY A 773 0.371 6.422 12.774 1.00 1.00 C ATOM 770 C GLY A 773 -0.627 7.027 13.749 1.00 1.00 C ATOM 771 O GLY A 773 -1.675 6.431 14.019 1.00 1.00 O ATOM 0 H GLY A 773 -0.194 4.416 12.735 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.287 6.153 13.300 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.643 7.157 12.017 1.00 1.00 H new ATOM 775 N GLU A 774 -0.306 8.196 14.302 1.00 1.00 N ATOM 776 CA GLU A 774 -1.115 8.835 15.336 1.00 1.00 C ATOM 777 C GLU A 774 -1.537 10.250 14.941 1.00 1.00 C ATOM 778 O GLU A 774 -2.712 10.470 14.652 1.00 1.00 O ATOM 779 CB GLU A 774 -0.279 8.811 16.628 1.00 1.00 C ATOM 780 CG GLU A 774 -0.814 9.667 17.788 1.00 1.00 C ATOM 781 CD GLU A 774 0.267 9.940 18.836 1.00 1.00 C ATOM 782 OE1 GLU A 774 1.387 10.377 18.472 1.00 1.00 O ATOM 783 OE2 GLU A 774 -0.018 9.737 20.039 1.00 1.00 O ATOM 0 H GLU A 774 0.526 8.727 14.044 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.051 8.296 15.481 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.202 7.779 16.969 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.731 9.145 16.391 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -1.190 10.613 17.399 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -1.656 9.158 18.258 1.00 1.00 H new ATOM 790 N GLY A 775 -0.601 11.193 14.831 1.00 1.00 N ATOM 791 CA GLY A 775 -0.888 12.599 14.578 1.00 1.00 C ATOM 792 C GLY A 775 -0.170 13.053 13.327 1.00 1.00 C ATOM 793 O GLY A 775 -0.452 12.530 12.246 1.00 1.00 O ATOM 0 H GLY A 775 0.396 10.994 14.917 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -1.962 12.745 14.465 1.00 1.00 H new ATOM 0 HA3 GLY A 775 -0.572 13.203 15.429 1.00 1.00 H new ATOM 797 N LYS A 776 0.819 13.940 13.464 1.00 1.00 N ATOM 798 CA LYS A 776 1.612 14.425 12.331 1.00 1.00 C ATOM 799 C LYS A 776 2.666 13.391 11.913 1.00 1.00 C ATOM 800 O LYS A 776 3.626 13.733 11.223 1.00 1.00 O ATOM 801 CB LYS A 776 2.288 15.763 12.694 1.00 1.00 C ATOM 802 CG LYS A 776 1.331 16.884 13.131 1.00 1.00 C ATOM 803 CD LYS A 776 1.209 16.993 14.654 1.00 1.00 C ATOM 804 CE LYS A 776 0.188 18.064 15.029 1.00 1.00 C ATOM 805 NZ LYS A 776 0.072 18.196 16.492 1.00 1.00 N ATOM 0 H LYS A 776 1.092 14.341 14.361 1.00 1.00 H new ATOM 0 HA LYS A 776 0.942 14.583 11.486 1.00 1.00 H new ATOM 0 HB2 LYS A 776 3.003 15.584 13.497 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.858 16.109 11.832 1.00 1.00 H new ATOM 0 HG2 LYS A 776 1.683 17.834 12.729 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.345 16.703 12.703 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.908 16.032 15.071 1.00 1.00 H new ATOM 0 HD3 LYS A 776 2.179 17.238 15.087 1.00 1.00 H new ATOM 0 HE2 LYS A 776 0.483 19.020 14.597 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -0.783 17.809 14.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -0.628 18.930 16.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -0.233 17.289 16.899 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 0.995 18.462 16.891 1.00 1.00 H new ATOM 818 N ARG A 777 2.459 12.113 12.236 1.00 1.00 N ATOM 819 CA ARG A 777 3.277 10.968 11.850 1.00 1.00 C ATOM 820 C ARG A 777 2.342 9.883 11.330 1.00 1.00 C ATOM 821 O ARG A 777 2.446 8.720 11.710 1.00 1.00 O ATOM 822 CB ARG A 777 4.150 10.508 13.019 1.00 1.00 C ATOM 823 CG ARG A 777 5.373 11.418 13.149 1.00 1.00 C ATOM 824 CD ARG A 777 6.594 10.963 12.341 1.00 1.00 C ATOM 825 NE ARG A 777 6.427 11.161 10.894 1.00 1.00 N ATOM 826 CZ ARG A 777 6.451 10.236 9.928 1.00 1.00 C ATOM 827 NH1 ARG A 777 6.753 8.970 10.186 1.00 1.00 N ATOM 828 NH2 ARG A 777 6.149 10.571 8.685 1.00 1.00 N ATOM 0 H ARG A 777 1.664 11.835 12.811 1.00 1.00 H new ATOM 0 HA ARG A 777 3.975 11.232 11.055 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.573 10.526 13.944 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.468 9.477 12.862 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.097 12.423 12.831 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.652 11.482 14.201 1.00 1.00 H new ATOM 0 HD2 ARG A 777 7.473 11.512 12.679 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.782 9.908 12.539 1.00 1.00 H new ATOM 0 HE ARG A 777 6.274 12.122 10.589 1.00 1.00 H new ATOM 0 HH11 ARG A 777 6.974 8.682 11.139 1.00 1.00 H new ATOM 0 HH12 ARG A 777 6.764 8.284 9.431 1.00 1.00 H new ATOM 0 HH21 ARG A 777 5.898 11.534 8.463 1.00 1.00 H new ATOM 0 HH22 ARG A 777 6.167 9.866 7.948 1.00 1.00 H new ATOM 842 N ARG A 778 1.366 10.277 10.511 1.00 1.00 N ATOM 843 CA ARG A 778 0.464 9.344 9.855 1.00 1.00 C ATOM 844 C ARG A 778 1.189 8.746 8.653 1.00 1.00 C ATOM 845 O ARG A 778 2.181 9.313 8.202 1.00 1.00 O ATOM 846 CB ARG A 778 -0.819 10.094 9.471 1.00 1.00 C ATOM 847 CG ARG A 778 -1.912 9.136 8.988 1.00 1.00 C ATOM 848 CD ARG A 778 -3.277 9.814 8.984 1.00 1.00 C ATOM 849 NE ARG A 778 -4.291 8.894 8.469 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.495 9.217 8.002 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.962 10.455 8.132 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.204 8.281 7.387 1.00 1.00 N ATOM 0 H ARG A 778 1.183 11.255 10.287 1.00 1.00 H new ATOM 0 HA ARG A 778 0.175 8.521 10.509 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.182 10.657 10.331 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -0.597 10.818 8.687 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.674 8.786 7.984 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -1.941 8.258 9.633 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.539 10.128 9.994 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.244 10.713 8.369 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.051 7.903 8.468 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.396 11.168 8.593 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.886 10.692 7.771 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.824 7.340 7.281 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.130 8.501 7.020 1.00 1.00 H new ATOM 866 N PHE A 779 0.760 7.582 8.180 1.00 1.00 N ATOM 867 CA PHE A 779 1.230 6.897 6.986 1.00 1.00 C ATOM 868 C PHE A 779 0.126 5.944 6.501 1.00 1.00 C ATOM 869 O PHE A 779 -0.979 5.929 7.049 1.00 1.00 O ATOM 870 CB PHE A 779 2.586 6.219 7.241 1.00 1.00 C ATOM 871 CG PHE A 779 2.657 5.284 8.427 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.855 5.810 9.718 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.646 3.890 8.237 1.00 1.00 C ATOM 874 CE1 PHE A 779 3.024 4.952 10.814 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.843 3.036 9.334 1.00 1.00 C ATOM 876 CZ PHE A 779 3.027 3.561 10.625 1.00 1.00 C ATOM 0 H PHE A 779 0.025 7.058 8.654 1.00 1.00 H new ATOM 0 HA PHE A 779 1.421 7.606 6.180 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.861 5.659 6.347 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.338 6.997 7.374 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.877 6.880 9.865 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.487 3.478 7.251 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.152 5.362 11.805 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.853 1.966 9.185 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.170 2.899 11.466 1.00 1.00 H new ATOM 886 N ILE A 780 0.422 5.162 5.467 1.00 1.00 N ATOM 887 CA ILE A 780 -0.379 4.098 4.869 1.00 1.00 C ATOM 888 C ILE A 780 0.384 2.791 5.024 1.00 1.00 C ATOM 889 O ILE A 780 1.605 2.758 4.912 1.00 1.00 O ATOM 890 CB ILE A 780 -0.876 4.479 3.446 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.480 3.326 2.596 1.00 1.00 C ATOM 892 CG2 ILE A 780 0.047 5.372 2.623 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.992 3.199 2.704 1.00 1.00 C ATOM 0 H ILE A 780 1.313 5.267 4.981 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.324 3.950 5.391 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.722 5.112 3.716 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.213 3.482 1.551 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.024 2.385 2.904 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.407 5.568 1.652 1.00 1.00 H new ATOM 0 HG22 ILE A 780 0.204 6.315 3.147 1.00 1.00 H new ATOM 0 HG23 ILE A 780 1.005 4.872 2.481 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.333 2.372 2.081 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.268 3.010 3.741 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.460 4.124 2.367 1.00 1.00 H new ATOM 905 N THR A 781 -0.332 1.714 5.299 1.00 1.00 N ATOM 906 CA THR A 781 0.205 0.386 5.465 1.00 1.00 C ATOM 907 C THR A 781 -0.615 -0.552 4.602 1.00 1.00 C ATOM 908 O THR A 781 -1.821 -0.363 4.411 1.00 1.00 O ATOM 909 CB THR A 781 0.089 -0.025 6.941 1.00 1.00 C ATOM 910 OG1 THR A 781 0.889 0.813 7.746 1.00 1.00 O ATOM 911 CG2 THR A 781 0.522 -1.475 7.177 1.00 1.00 C ATOM 0 H THR A 781 -1.345 1.749 5.416 1.00 1.00 H new ATOM 0 HA THR A 781 1.254 0.349 5.172 1.00 1.00 H new ATOM 0 HB THR A 781 -0.963 0.072 7.209 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.391 1.066 8.551 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.422 -1.717 8.235 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.109 -2.143 6.591 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.562 -1.598 6.874 1.00 1.00 H new ATOM 919 N VAL A 782 0.048 -1.576 4.088 1.00 1.00 N ATOM 920 CA VAL A 782 -0.591 -2.634 3.344 1.00 1.00 C ATOM 921 C VAL A 782 0.042 -3.936 3.839 1.00 1.00 C ATOM 922 O VAL A 782 1.261 -3.985 4.022 1.00 1.00 O ATOM 923 CB VAL A 782 -0.466 -2.420 1.824 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.478 -1.407 1.297 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.886 -1.857 1.395 1.00 1.00 C ATOM 0 H VAL A 782 1.057 -1.691 4.181 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.667 -2.659 3.514 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.624 -3.420 1.421 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.350 -1.291 0.221 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.488 -1.759 1.506 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.320 -0.446 1.787 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.901 -1.733 0.312 1.00 1.00 H new ATOM 0 HG22 VAL A 782 1.046 -0.891 1.873 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.678 -2.545 1.692 1.00 1.00 H new ATOM 935 N SER A 783 -0.763 -4.974 4.058 1.00 1.00 N ATOM 936 CA SER A 783 -0.318 -6.247 4.629 1.00 1.00 C ATOM 937 C SER A 783 -0.700 -7.412 3.724 1.00 1.00 C ATOM 938 O SER A 783 -1.747 -7.393 3.086 1.00 1.00 O ATOM 939 CB SER A 783 -0.866 -6.453 6.039 1.00 1.00 C ATOM 940 OG SER A 783 -0.670 -5.321 6.869 1.00 1.00 O ATOM 0 H SER A 783 -1.759 -4.955 3.841 1.00 1.00 H new ATOM 0 HA SER A 783 0.769 -6.211 4.701 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.931 -6.677 5.982 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.382 -7.319 6.491 1.00 1.00 H new ATOM 0 HG SER A 783 -1.038 -5.500 7.759 1.00 1.00 H new ATOM 946 N LYS A 784 0.144 -8.435 3.675 1.00 1.00 N ATOM 947 CA LYS A 784 0.051 -9.604 2.806 1.00 1.00 C ATOM 948 C LYS A 784 -0.763 -10.724 3.409 1.00 1.00 C ATOM 949 O LYS A 784 -0.337 -11.277 4.427 1.00 1.00 O ATOM 950 CB LYS A 784 1.473 -10.108 2.511 1.00 1.00 C ATOM 951 CG LYS A 784 2.147 -9.277 1.410 1.00 1.00 C ATOM 952 CD LYS A 784 2.081 -9.826 -0.025 1.00 1.00 C ATOM 953 CE LYS A 784 1.007 -10.877 -0.331 1.00 1.00 C ATOM 954 NZ LYS A 784 1.202 -11.467 -1.669 1.00 1.00 N ATOM 0 H LYS A 784 0.965 -8.474 4.279 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.460 -9.299 1.893 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.072 -10.063 3.420 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.434 -11.154 2.206 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.697 -8.284 1.413 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.197 -9.152 1.676 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.930 -8.984 -0.701 1.00 1.00 H new ATOM 0 HD3 LYS A 784 3.053 -10.258 -0.265 1.00 1.00 H new ATOM 0 HE2 LYS A 784 1.038 -11.663 0.424 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.020 -10.419 -0.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.761 -12.408 -1.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.763 -10.854 -2.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 2.220 -11.555 -1.865 1.00 1.00 H new ATOM 967 N ARG A 785 -1.915 -11.068 2.813 1.00 1.00 N ATOM 968 CA ARG A 785 -2.616 -12.235 3.332 1.00 1.00 C ATOM 969 C ARG A 785 -1.799 -13.415 2.790 1.00 1.00 C ATOM 970 O ARG A 785 -1.768 -13.593 1.569 1.00 1.00 O ATOM 971 CB ARG A 785 -4.052 -12.302 2.804 1.00 1.00 C ATOM 972 CG ARG A 785 -4.974 -11.144 3.210 1.00 1.00 C ATOM 973 CD ARG A 785 -6.314 -11.366 2.501 1.00 1.00 C ATOM 974 NE ARG A 785 -7.228 -10.223 2.620 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.371 -10.192 3.309 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.687 -11.125 4.196 1.00 1.00 N ATOM 977 NH2 ARG A 785 -9.222 -9.203 3.091 1.00 1.00 N ATOM 0 H ARG A 785 -2.352 -10.589 2.026 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.694 -12.223 4.419 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -4.016 -12.347 1.716 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.501 -13.234 3.147 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.110 -11.120 4.291 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.540 -10.187 2.922 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.130 -11.568 1.446 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.795 -12.252 2.916 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.964 -9.369 2.128 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.047 -11.900 4.371 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.570 -11.068 4.704 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -9.000 -8.481 2.406 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -10.100 -9.163 3.608 1.00 1.00 H new ATOM 991 N ALA A 786 -1.132 -14.179 3.654 1.00 1.00 N ATOM 992 CA ALA A 786 -0.359 -15.347 3.259 1.00 1.00 C ATOM 993 C ALA A 786 -1.287 -16.457 2.785 1.00 1.00 C ATOM 994 O ALA A 786 -2.358 -16.645 3.406 1.00 1.00 O ATOM 995 CB ALA A 786 0.503 -15.826 4.430 1.00 1.00 C ATOM 0 H ALA A 786 -1.115 -13.999 4.658 1.00 1.00 H new ATOM 0 HA ALA A 786 0.299 -15.074 2.434 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.078 -16.700 4.125 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.185 -15.030 4.729 1.00 1.00 H new ATOM 0 HB3 ALA A 786 -0.139 -16.089 5.271 1.00 1.00 H new