USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 hydrogens (11 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 759 HIS : no HD1:sc= 0.00578 K(o=1.1,f=-7.7!) USER MOD Set 1.2: A 769 HIS : no HE2:sc= 1.06 K(o=1.1,f=-8.7!) USER MOD Set 2.1: A 751 ASN : amide:sc= 2.24 K(o=2.7,f=-5.1!) USER MOD Set 2.2: A 753 HIS : no HE2:sc= 0.487 K(o=2.7,f=-1.4!) USER MOD Set 3.1: A 739 SER OG : rot 180:sc= -0.0752 USER MOD Set 3.2: A 741 LYS NZ :NH3+ 165:sc= -0.0329 (180deg=-0.332) USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 723 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.4) USER MOD Single : A 728 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 732 MET CE :methyl -156:sc= -0.115 (180deg=-0.583) USER MOD Single : A 737 MET CE :methyl 168:sc= -0.0217 (180deg=-0.292) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl -165:sc= -0.0533 (180deg=-0.441) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 760 GLN : amide:sc= -0.0121 K(o=-0.012,f=-0.68) USER MOD Single : A 765 HIS : no HE2:sc= 0.568 K(o=0.57,f=-12!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 772 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 135:sc= -0.0811 (180deg=-0.388) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot -112:sc= 0.946 USER MOD Single : A 784 LYS NZ :NH3+ -127:sc= 0.698 (180deg=-0.0743) USER MOD Single : A 801 DGP O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 717 -10.915 -15.018 -8.813 1.00 0.00 N ATOM 2 CA PRO A 717 -10.161 -14.066 -9.652 1.00 0.00 C ATOM 3 C PRO A 717 -8.895 -14.714 -10.202 1.00 0.00 C ATOM 4 O PRO A 717 -8.081 -15.242 -9.445 1.00 0.00 O ATOM 5 CB PRO A 717 -9.799 -12.853 -8.807 1.00 0.00 C ATOM 6 CG PRO A 717 -10.326 -13.185 -7.449 1.00 0.00 C ATOM 7 CD PRO A 717 -10.560 -14.681 -7.426 1.00 0.00 C ATOM 0 HA PRO A 717 -10.779 -13.763 -10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 717 -8.722 -12.688 -8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 717 -10.254 -11.943 -9.200 1.00 0.00 H new ATOM 0 HG2 PRO A 717 -9.615 -12.893 -6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 717 -11.252 -12.645 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 717 -9.668 -15.218 -7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 717 -11.360 -14.947 -6.735 1.00 0.00 H new ATOM 15 N GLU A 718 -8.743 -14.690 -11.519 1.00 0.00 N ATOM 16 CA GLU A 718 -7.550 -15.231 -12.157 1.00 0.00 C ATOM 17 C GLU A 718 -6.365 -14.311 -11.887 1.00 0.00 C ATOM 18 O GLU A 718 -5.262 -14.765 -11.573 1.00 0.00 O ATOM 19 CB GLU A 718 -7.741 -15.385 -13.674 1.00 0.00 C ATOM 20 CG GLU A 718 -9.078 -15.982 -14.094 1.00 0.00 C ATOM 21 CD GLU A 718 -10.201 -14.967 -14.075 1.00 0.00 C ATOM 22 OE1 GLU A 718 -10.327 -14.196 -15.051 1.00 0.00 O ATOM 23 OE2 GLU A 718 -10.956 -14.923 -13.084 1.00 0.00 O ATOM 0 H GLU A 718 -9.430 -14.302 -12.166 1.00 0.00 H new ATOM 0 HA GLU A 718 -7.363 -16.219 -11.737 1.00 0.00 H new ATOM 0 HB2 GLU A 718 -7.634 -14.406 -14.140 1.00 0.00 H new ATOM 0 HB3 GLU A 718 -6.940 -16.013 -14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 718 -8.987 -16.398 -15.097 1.00 0.00 H new ATOM 0 HG3 GLU A 718 -9.328 -16.808 -13.428 1.00 0.00 H new ATOM 30 N GLY A 719 -6.611 -13.013 -12.003 1.00 0.00 N ATOM 31 CA GLY A 719 -5.579 -12.030 -11.758 1.00 0.00 C ATOM 32 C GLY A 719 -4.669 -11.831 -12.950 1.00 0.00 C ATOM 33 O GLY A 719 -3.490 -11.515 -12.794 1.00 0.00 O ATOM 0 H GLY A 719 -7.516 -12.623 -12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -6.043 -11.079 -11.497 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -4.984 -12.340 -10.899 1.00 0.00 H new ATOM 37 N VAL A 720 -5.208 -12.010 -14.145 1.00 0.00 N ATOM 38 CA VAL A 720 -4.423 -11.836 -15.357 1.00 0.00 C ATOM 39 C VAL A 720 -4.831 -10.548 -16.063 1.00 0.00 C ATOM 40 O VAL A 720 -5.613 -10.564 -17.014 1.00 0.00 O ATOM 41 CB VAL A 720 -4.573 -13.034 -16.325 1.00 0.00 C ATOM 42 CG1 VAL A 720 -3.605 -12.907 -17.499 1.00 0.00 C ATOM 43 CG2 VAL A 720 -4.360 -14.355 -15.588 1.00 0.00 C ATOM 0 H VAL A 720 -6.181 -12.274 -14.302 1.00 0.00 H new ATOM 0 HA VAL A 720 -3.375 -11.779 -15.061 1.00 0.00 H new ATOM 0 HB VAL A 720 -5.589 -13.025 -16.721 1.00 0.00 H new ATOM 0 HG11 VAL A 720 -3.728 -13.760 -18.166 1.00 0.00 H new ATOM 0 HG12 VAL A 720 -3.813 -11.987 -18.044 1.00 0.00 H new ATOM 0 HG13 VAL A 720 -2.581 -12.883 -17.126 1.00 0.00 H new ATOM 0 HG21 VAL A 720 -4.470 -15.184 -16.287 1.00 0.00 H new ATOM 0 HG22 VAL A 720 -3.359 -14.374 -15.157 1.00 0.00 H new ATOM 0 HG23 VAL A 720 -5.099 -14.451 -14.793 1.00 0.00 H new ATOM 53 N GLU A 721 -4.335 -9.428 -15.557 1.00 0.00 N ATOM 54 CA GLU A 721 -4.638 -8.123 -16.133 1.00 0.00 C ATOM 55 C GLU A 721 -3.523 -7.673 -17.063 1.00 0.00 C ATOM 56 O GLU A 721 -3.758 -6.956 -18.032 1.00 0.00 O ATOM 57 CB GLU A 721 -4.849 -7.093 -15.024 1.00 0.00 C ATOM 58 CG GLU A 721 -6.109 -7.334 -14.205 1.00 0.00 C ATOM 59 CD GLU A 721 -7.374 -7.152 -15.017 1.00 0.00 C ATOM 60 OE1 GLU A 721 -7.767 -8.091 -15.736 1.00 0.00 O ATOM 61 OE2 GLU A 721 -7.985 -6.065 -14.941 1.00 0.00 O ATOM 0 H GLU A 721 -3.718 -9.396 -14.745 1.00 0.00 H new ATOM 0 HA GLU A 721 -5.556 -8.209 -16.715 1.00 0.00 H new ATOM 0 HB2 GLU A 721 -3.985 -7.104 -14.359 1.00 0.00 H new ATOM 0 HB3 GLU A 721 -4.898 -6.098 -15.467 1.00 0.00 H new ATOM 0 HG2 GLU A 721 -6.085 -8.345 -13.797 1.00 0.00 H new ATOM 0 HG3 GLU A 721 -6.124 -6.649 -13.357 1.00 0.00 H new ATOM 68 N SER A 722 -2.305 -8.102 -16.764 1.00 0.00 N ATOM 69 CA SER A 722 -1.167 -7.794 -17.610 1.00 0.00 C ATOM 70 C SER A 722 -1.150 -8.740 -18.810 1.00 0.00 C ATOM 71 O SER A 722 -0.673 -9.873 -18.717 1.00 0.00 O ATOM 72 CB SER A 722 0.131 -7.906 -16.808 1.00 0.00 C ATOM 73 OG SER A 722 0.056 -7.124 -15.624 1.00 0.00 O ATOM 0 H SER A 722 -2.082 -8.664 -15.942 1.00 0.00 H new ATOM 0 HA SER A 722 -1.252 -6.770 -17.974 1.00 0.00 H new ATOM 0 HB2 SER A 722 0.317 -8.949 -16.550 1.00 0.00 H new ATOM 0 HB3 SER A 722 0.971 -7.573 -17.417 1.00 0.00 H new ATOM 0 HG SER A 722 0.894 -7.209 -15.122 1.00 0.00 H new ATOM 79 N GLN A 723 -1.705 -8.270 -19.919 1.00 0.00 N ATOM 80 CA GLN A 723 -1.872 -9.091 -21.108 1.00 0.00 C ATOM 81 C GLN A 723 -0.537 -9.277 -21.820 1.00 0.00 C ATOM 82 O GLN A 723 -0.139 -10.399 -22.133 1.00 0.00 O ATOM 83 CB GLN A 723 -2.902 -8.438 -22.042 1.00 0.00 C ATOM 84 CG GLN A 723 -3.590 -9.406 -22.999 1.00 0.00 C ATOM 85 CD GLN A 723 -2.709 -9.849 -24.153 1.00 0.00 C ATOM 86 OE1 GLN A 723 -1.845 -9.103 -24.620 1.00 0.00 O ATOM 87 NE2 GLN A 723 -2.924 -11.068 -24.620 1.00 0.00 N ATOM 0 H GLN A 723 -2.050 -7.315 -20.019 1.00 0.00 H new ATOM 0 HA GLN A 723 -2.235 -10.076 -20.815 1.00 0.00 H new ATOM 0 HB2 GLN A 723 -3.662 -7.944 -21.436 1.00 0.00 H new ATOM 0 HB3 GLN A 723 -2.405 -7.662 -22.625 1.00 0.00 H new ATOM 0 HG2 GLN A 723 -3.914 -10.285 -22.442 1.00 0.00 H new ATOM 0 HG3 GLN A 723 -4.487 -8.933 -23.399 1.00 0.00 H new ATOM 0 HE21 GLN A 723 -3.649 -11.653 -24.205 1.00 0.00 H new ATOM 0 HE22 GLN A 723 -2.365 -11.423 -25.395 1.00 0.00 H new ATOM 96 N ASP A 724 0.158 -8.176 -22.065 1.00 0.00 N ATOM 97 CA ASP A 724 1.429 -8.229 -22.770 1.00 0.00 C ATOM 98 C ASP A 724 2.569 -7.890 -21.824 1.00 0.00 C ATOM 99 O ASP A 724 2.948 -6.728 -21.669 1.00 0.00 O ATOM 100 CB ASP A 724 1.436 -7.281 -23.972 1.00 0.00 C ATOM 101 CG ASP A 724 2.606 -7.534 -24.906 1.00 0.00 C ATOM 102 OD1 ASP A 724 3.678 -6.920 -24.720 1.00 0.00 O ATOM 103 OD2 ASP A 724 2.450 -8.340 -25.849 1.00 0.00 O ATOM 0 H ASP A 724 -0.135 -7.239 -21.787 1.00 0.00 H new ATOM 0 HA ASP A 724 1.567 -9.244 -23.142 1.00 0.00 H new ATOM 0 HB2 ASP A 724 0.503 -7.394 -24.525 1.00 0.00 H new ATOM 0 HB3 ASP A 724 1.474 -6.251 -23.618 1.00 0.00 H new ATOM 108 N GLY A 725 3.082 -8.913 -21.164 1.00 0.00 N ATOM 109 CA GLY A 725 4.198 -8.737 -20.260 1.00 0.00 C ATOM 110 C GLY A 725 5.171 -9.887 -20.370 1.00 0.00 C ATOM 111 O GLY A 725 5.566 -10.480 -19.368 1.00 0.00 O ATOM 0 H GLY A 725 2.742 -9.872 -21.239 1.00 0.00 H new ATOM 0 HA2 GLY A 725 4.709 -7.801 -20.485 1.00 0.00 H new ATOM 0 HA3 GLY A 725 3.833 -8.662 -19.236 1.00 0.00 H new ATOM 115 N VAL A 726 5.547 -10.207 -21.598 1.00 0.00 N ATOM 116 CA VAL A 726 6.405 -11.344 -21.867 1.00 0.00 C ATOM 117 C VAL A 726 7.750 -10.870 -22.389 1.00 0.00 C ATOM 118 O VAL A 726 7.857 -10.391 -23.519 1.00 0.00 O ATOM 119 CB VAL A 726 5.776 -12.299 -22.899 1.00 0.00 C ATOM 120 CG1 VAL A 726 6.646 -13.534 -23.096 1.00 0.00 C ATOM 121 CG2 VAL A 726 4.361 -12.693 -22.487 1.00 0.00 C ATOM 0 H VAL A 726 5.267 -9.688 -22.430 1.00 0.00 H new ATOM 0 HA VAL A 726 6.535 -11.884 -20.929 1.00 0.00 H new ATOM 0 HB VAL A 726 5.715 -11.772 -23.851 1.00 0.00 H new ATOM 0 HG11 VAL A 726 6.181 -14.193 -23.829 1.00 0.00 H new ATOM 0 HG12 VAL A 726 7.631 -13.232 -23.452 1.00 0.00 H new ATOM 0 HG13 VAL A 726 6.749 -14.061 -22.148 1.00 0.00 H new ATOM 0 HG21 VAL A 726 3.940 -13.367 -23.232 1.00 0.00 H new ATOM 0 HG22 VAL A 726 4.390 -13.194 -21.519 1.00 0.00 H new ATOM 0 HG23 VAL A 726 3.741 -11.799 -22.414 1.00 0.00 H new ATOM 131 N ASP A 727 8.765 -10.993 -21.564 1.00 0.00 N ATOM 132 CA ASP A 727 10.109 -10.603 -21.952 1.00 0.00 C ATOM 133 C ASP A 727 11.083 -11.733 -21.663 1.00 0.00 C ATOM 134 O ASP A 727 10.980 -12.399 -20.629 1.00 0.00 O ATOM 135 CB ASP A 727 10.540 -9.328 -21.226 1.00 0.00 C ATOM 136 CG ASP A 727 11.915 -8.854 -21.656 1.00 0.00 C ATOM 137 OD1 ASP A 727 12.920 -9.343 -21.106 1.00 0.00 O ATOM 138 OD2 ASP A 727 11.992 -7.992 -22.557 1.00 0.00 O ATOM 0 H ASP A 727 8.689 -11.361 -20.616 1.00 0.00 H new ATOM 0 HA ASP A 727 10.112 -10.398 -23.023 1.00 0.00 H new ATOM 0 HB2 ASP A 727 9.811 -8.540 -21.417 1.00 0.00 H new ATOM 0 HB3 ASP A 727 10.541 -9.508 -20.151 1.00 0.00 H new ATOM 143 N HIS A 728 12.010 -11.953 -22.584 1.00 0.00 N ATOM 144 CA HIS A 728 12.965 -13.042 -22.466 1.00 0.00 C ATOM 145 C HIS A 728 13.893 -12.816 -21.280 1.00 0.00 C ATOM 146 O HIS A 728 13.939 -13.624 -20.354 1.00 0.00 O ATOM 147 CB HIS A 728 13.785 -13.175 -23.757 1.00 0.00 C ATOM 148 CG HIS A 728 14.688 -14.376 -23.789 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.365 -15.568 -24.400 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.932 -14.551 -23.270 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.393 -16.410 -24.235 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.371 -15.840 -23.555 1.00 0.00 N ATOM 0 H HIS A 728 12.120 -11.387 -23.426 1.00 0.00 H new ATOM 0 HA HIS A 728 12.411 -13.966 -22.303 1.00 0.00 H new ATOM 0 HB2 HIS A 728 13.102 -13.225 -24.605 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.388 -12.276 -23.886 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.491 -13.807 -22.723 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.419 -17.423 -24.609 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.264 -16.258 -23.293 1.00 0.00 H new ATOM 160 N PHE A 729 14.602 -11.697 -21.294 1.00 0.00 N ATOM 161 CA PHE A 729 15.626 -11.434 -20.293 1.00 0.00 C ATOM 162 C PHE A 729 15.005 -11.173 -18.923 1.00 0.00 C ATOM 163 O PHE A 729 15.594 -11.513 -17.897 1.00 0.00 O ATOM 164 CB PHE A 729 16.519 -10.266 -20.727 1.00 0.00 C ATOM 165 CG PHE A 729 17.334 -10.561 -21.961 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.087 -11.723 -22.047 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.343 -9.684 -23.036 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.833 -12.002 -23.176 1.00 0.00 C ATOM 169 CE2 PHE A 729 18.090 -9.964 -24.170 1.00 0.00 C ATOM 170 CZ PHE A 729 18.832 -11.122 -24.237 1.00 0.00 C ATOM 0 H PHE A 729 14.488 -10.957 -21.987 1.00 0.00 H new ATOM 0 HA PHE A 729 16.250 -12.324 -20.206 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.896 -9.391 -20.913 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.192 -10.010 -19.909 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.090 -12.419 -21.221 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.763 -8.774 -22.989 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.417 -12.909 -23.227 1.00 0.00 H new ATOM 0 HE2 PHE A 729 18.090 -9.274 -25.001 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.413 -11.341 -25.121 1.00 0.00 H new ATOM 180 N ARG A 730 13.814 -10.584 -18.912 1.00 0.00 N ATOM 181 CA ARG A 730 13.063 -10.384 -17.674 1.00 0.00 C ATOM 182 C ARG A 730 12.807 -11.729 -17.001 1.00 0.00 C ATOM 183 O ARG A 730 13.070 -11.906 -15.811 1.00 0.00 O ATOM 184 CB ARG A 730 11.726 -9.695 -17.970 1.00 0.00 C ATOM 185 CG ARG A 730 10.955 -9.276 -16.726 1.00 0.00 C ATOM 186 CD ARG A 730 11.566 -8.043 -16.080 1.00 0.00 C ATOM 187 NE ARG A 730 10.918 -7.701 -14.810 1.00 0.00 N ATOM 188 CZ ARG A 730 10.858 -6.468 -14.307 1.00 0.00 C ATOM 189 NH1 ARG A 730 11.326 -5.435 -14.995 1.00 0.00 N ATOM 190 NH2 ARG A 730 10.320 -6.261 -13.112 1.00 0.00 N ATOM 0 H ARG A 730 13.345 -10.235 -19.748 1.00 0.00 H new ATOM 0 HA ARG A 730 13.649 -9.751 -17.007 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.912 -8.813 -18.584 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.105 -10.369 -18.560 1.00 0.00 H new ATOM 0 HG2 ARG A 730 9.917 -9.073 -16.991 1.00 0.00 H new ATOM 0 HG3 ARG A 730 10.946 -10.097 -16.009 1.00 0.00 H new ATOM 0 HD2 ARG A 730 12.629 -8.214 -15.908 1.00 0.00 H new ATOM 0 HD3 ARG A 730 11.486 -7.199 -16.765 1.00 0.00 H new ATOM 0 HE ARG A 730 10.485 -8.455 -14.277 1.00 0.00 H new ATOM 0 HH11 ARG A 730 11.736 -5.580 -15.917 1.00 0.00 H new ATOM 0 HH12 ARG A 730 11.276 -4.495 -14.602 1.00 0.00 H new ATOM 0 HH21 ARG A 730 9.951 -7.046 -12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 730 10.275 -5.317 -12.729 1.00 0.00 H new ATOM 204 N ALA A 731 12.303 -12.674 -17.788 1.00 0.00 N ATOM 205 CA ALA A 731 12.029 -14.018 -17.301 1.00 0.00 C ATOM 206 C ALA A 731 13.308 -14.692 -16.826 1.00 0.00 C ATOM 207 O ALA A 731 13.362 -15.241 -15.725 1.00 0.00 O ATOM 208 CB ALA A 731 11.373 -14.841 -18.395 1.00 0.00 C ATOM 0 H ALA A 731 12.075 -12.531 -18.772 1.00 0.00 H new ATOM 0 HA ALA A 731 11.348 -13.948 -16.453 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.171 -15.845 -18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.437 -14.369 -18.693 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.040 -14.900 -19.255 1.00 0.00 H new ATOM 214 N MET A 732 14.340 -14.627 -17.657 1.00 0.00 N ATOM 215 CA MET A 732 15.621 -15.239 -17.337 1.00 0.00 C ATOM 216 C MET A 732 16.176 -14.721 -16.013 1.00 0.00 C ATOM 217 O MET A 732 16.722 -15.487 -15.223 1.00 0.00 O ATOM 218 CB MET A 732 16.610 -14.965 -18.464 1.00 0.00 C ATOM 219 CG MET A 732 16.161 -15.531 -19.797 1.00 0.00 C ATOM 220 SD MET A 732 16.663 -17.243 -20.046 1.00 0.00 S ATOM 221 CE MET A 732 18.428 -17.031 -20.251 1.00 0.00 C ATOM 0 H MET A 732 14.314 -14.155 -18.561 1.00 0.00 H new ATOM 0 HA MET A 732 15.470 -16.313 -17.232 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.752 -13.889 -18.562 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.578 -15.392 -18.202 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.075 -15.464 -19.866 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.570 -14.919 -20.601 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.832 -17.870 -20.817 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.623 -16.103 -20.789 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.906 -16.990 -19.272 1.00 0.00 H new ATOM 231 N ILE A 733 16.019 -13.426 -15.769 1.00 0.00 N ATOM 232 CA ILE A 733 16.513 -12.809 -14.546 1.00 0.00 C ATOM 233 C ILE A 733 15.699 -13.239 -13.324 1.00 0.00 C ATOM 234 O ILE A 733 16.267 -13.662 -12.318 1.00 0.00 O ATOM 235 CB ILE A 733 16.532 -11.268 -14.664 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.687 -10.835 -15.578 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.640 -10.606 -13.293 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.773 -9.341 -15.789 1.00 0.00 C ATOM 0 H ILE A 733 15.551 -12.781 -16.406 1.00 0.00 H new ATOM 0 HA ILE A 733 17.536 -13.157 -14.406 1.00 0.00 H new ATOM 0 HB ILE A 733 15.590 -10.941 -15.105 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.626 -11.187 -15.151 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.574 -11.323 -16.546 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.651 -9.523 -13.412 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.786 -10.895 -12.681 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.561 -10.927 -12.806 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.613 -9.114 -16.445 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.850 -8.984 -16.245 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.918 -8.846 -14.829 1.00 0.00 H new ATOM 250 N VAL A 734 14.376 -13.160 -13.412 1.00 0.00 N ATOM 251 CA VAL A 734 13.530 -13.473 -12.260 1.00 0.00 C ATOM 252 C VAL A 734 13.645 -14.955 -11.877 1.00 0.00 C ATOM 253 O VAL A 734 13.643 -15.302 -10.695 1.00 0.00 O ATOM 254 CB VAL A 734 12.049 -13.090 -12.506 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.427 -13.924 -13.611 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.245 -13.212 -11.219 1.00 0.00 C ATOM 0 H VAL A 734 13.869 -12.887 -14.254 1.00 0.00 H new ATOM 0 HA VAL A 734 13.892 -12.870 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 734 12.028 -12.051 -12.833 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.389 -13.624 -13.752 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.979 -13.769 -14.538 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.466 -14.978 -13.337 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.207 -12.939 -11.411 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.289 -14.240 -10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.662 -12.545 -10.465 1.00 0.00 H new ATOM 266 N GLU A 735 13.777 -15.824 -12.879 1.00 0.00 N ATOM 267 CA GLU A 735 13.955 -17.251 -12.631 1.00 0.00 C ATOM 268 C GLU A 735 15.346 -17.524 -12.070 1.00 0.00 C ATOM 269 O GLU A 735 15.540 -18.438 -11.267 1.00 0.00 O ATOM 270 CB GLU A 735 13.737 -18.046 -13.916 1.00 0.00 C ATOM 271 CG GLU A 735 12.304 -18.004 -14.416 1.00 0.00 C ATOM 272 CD GLU A 735 12.126 -18.723 -15.736 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.022 -19.968 -15.735 1.00 0.00 O ATOM 274 OE2 GLU A 735 12.091 -18.049 -16.783 1.00 0.00 O ATOM 0 H GLU A 735 13.764 -15.565 -13.865 1.00 0.00 H new ATOM 0 HA GLU A 735 13.215 -17.569 -11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.396 -17.656 -14.692 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.024 -19.084 -13.746 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.650 -18.455 -13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.992 -16.965 -14.527 1.00 0.00 H new ATOM 281 N PHE A 736 16.302 -16.713 -12.499 1.00 0.00 N ATOM 282 CA PHE A 736 17.670 -16.769 -11.997 1.00 0.00 C ATOM 283 C PHE A 736 17.715 -16.379 -10.521 1.00 0.00 C ATOM 284 O PHE A 736 18.480 -16.942 -9.737 1.00 0.00 O ATOM 285 CB PHE A 736 18.542 -15.835 -12.840 1.00 0.00 C ATOM 286 CG PHE A 736 19.845 -15.437 -12.215 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.876 -16.347 -12.078 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.037 -14.138 -11.779 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.077 -15.966 -11.515 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.233 -13.751 -11.217 1.00 0.00 C ATOM 291 CZ PHE A 736 22.257 -14.664 -11.086 1.00 0.00 C ATOM 0 H PHE A 736 16.152 -15.995 -13.207 1.00 0.00 H new ATOM 0 HA PHE A 736 18.052 -17.787 -12.077 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.749 -16.320 -13.794 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.972 -14.932 -13.059 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.741 -17.364 -12.414 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.238 -13.418 -11.881 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.876 -16.685 -11.410 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.368 -12.734 -10.880 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.198 -14.363 -10.649 1.00 0.00 H new ATOM 301 N MET A 737 16.878 -15.421 -10.150 1.00 0.00 N ATOM 302 CA MET A 737 16.758 -14.995 -8.761 1.00 0.00 C ATOM 303 C MET A 737 16.187 -16.122 -7.909 1.00 0.00 C ATOM 304 O MET A 737 16.461 -16.214 -6.715 1.00 0.00 O ATOM 305 CB MET A 737 15.873 -13.754 -8.669 1.00 0.00 C ATOM 306 CG MET A 737 16.468 -12.548 -9.375 1.00 0.00 C ATOM 307 SD MET A 737 15.302 -11.189 -9.545 1.00 0.00 S ATOM 308 CE MET A 737 14.951 -10.827 -7.830 1.00 0.00 C ATOM 0 H MET A 737 16.268 -14.920 -10.796 1.00 0.00 H new ATOM 0 HA MET A 737 17.749 -14.746 -8.382 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.898 -13.977 -9.102 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.708 -13.509 -7.620 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.341 -12.203 -8.821 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.816 -12.847 -10.364 1.00 0.00 H new ATOM 0 HE1 MET A 737 14.416 -9.880 -7.760 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.337 -11.623 -7.409 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.886 -10.757 -7.274 1.00 0.00 H new ATOM 318 N ALA A 738 15.414 -16.989 -8.546 1.00 0.00 N ATOM 319 CA ALA A 738 14.823 -18.136 -7.876 1.00 0.00 C ATOM 320 C ALA A 738 15.733 -19.358 -7.991 1.00 0.00 C ATOM 321 O ALA A 738 15.420 -20.435 -7.477 1.00 0.00 O ATOM 322 CB ALA A 738 13.455 -18.432 -8.473 1.00 0.00 C ATOM 0 H ALA A 738 15.180 -16.918 -9.536 1.00 0.00 H new ATOM 0 HA ALA A 738 14.706 -17.902 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.016 -19.292 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.806 -17.565 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.561 -18.651 -9.536 1.00 0.00 H new ATOM 328 N SER A 739 16.859 -19.180 -8.667 1.00 0.00 N ATOM 329 CA SER A 739 17.803 -20.262 -8.894 1.00 0.00 C ATOM 330 C SER A 739 18.927 -20.220 -7.860 1.00 0.00 C ATOM 331 O SER A 739 19.083 -19.235 -7.130 1.00 0.00 O ATOM 332 CB SER A 739 18.380 -20.163 -10.311 1.00 0.00 C ATOM 333 OG SER A 739 19.199 -21.280 -10.620 1.00 0.00 O ATOM 0 H SER A 739 17.142 -18.287 -9.071 1.00 0.00 H new ATOM 0 HA SER A 739 17.278 -21.211 -8.790 1.00 0.00 H new ATOM 0 HB2 SER A 739 17.566 -20.097 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 739 18.963 -19.247 -10.404 1.00 0.00 H new ATOM 0 HG SER A 739 19.549 -21.187 -11.530 1.00 0.00 H new ATOM 339 N LYS A 740 19.712 -21.287 -7.808 1.00 0.00 N ATOM 340 CA LYS A 740 20.822 -21.384 -6.872 1.00 0.00 C ATOM 341 C LYS A 740 22.059 -20.707 -7.451 1.00 0.00 C ATOM 342 O LYS A 740 23.047 -20.481 -6.749 1.00 0.00 O ATOM 343 CB LYS A 740 21.122 -22.853 -6.559 1.00 0.00 C ATOM 344 CG LYS A 740 19.905 -23.681 -6.140 1.00 0.00 C ATOM 345 CD LYS A 740 19.468 -23.423 -4.700 1.00 0.00 C ATOM 346 CE LYS A 740 18.645 -22.151 -4.550 1.00 0.00 C ATOM 347 NZ LYS A 740 18.135 -21.986 -3.168 1.00 0.00 N ATOM 0 H LYS A 740 19.599 -22.104 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 740 20.546 -20.878 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.571 -23.313 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 740 21.865 -22.896 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 740 19.075 -23.459 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 740 20.136 -24.740 -6.259 1.00 0.00 H new ATOM 0 HD2 LYS A 740 18.884 -24.272 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 740 20.351 -23.356 -4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 740 19.256 -21.289 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 740 17.807 -22.176 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 17.580 -21.109 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 17.531 -22.796 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 18.936 -21.937 -2.506 1.00 0.00 H new ATOM 361 N LYS A 741 21.996 -20.382 -8.737 1.00 0.00 N ATOM 362 CA LYS A 741 23.089 -19.692 -9.405 1.00 0.00 C ATOM 363 C LYS A 741 23.231 -18.279 -8.854 1.00 0.00 C ATOM 364 O LYS A 741 22.250 -17.542 -8.757 1.00 0.00 O ATOM 365 CB LYS A 741 22.845 -19.631 -10.915 1.00 0.00 C ATOM 366 CG LYS A 741 22.733 -20.995 -11.576 1.00 0.00 C ATOM 367 CD LYS A 741 22.477 -20.868 -13.069 1.00 0.00 C ATOM 368 CE LYS A 741 22.326 -22.228 -13.729 1.00 0.00 C ATOM 369 NZ LYS A 741 21.205 -23.012 -13.144 1.00 0.00 N ATOM 0 H LYS A 741 21.197 -20.586 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 741 24.009 -20.247 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.929 -19.071 -11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.659 -19.077 -11.383 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.651 -21.558 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.924 -21.560 -11.113 1.00 0.00 H new ATOM 0 HD2 LYS A 741 21.574 -20.280 -13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 741 23.300 -20.326 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 741 22.156 -22.095 -14.797 1.00 0.00 H new ATOM 0 HE3 LYS A 741 23.255 -22.788 -13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 20.972 -23.807 -13.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 21.487 -23.378 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 20.371 -22.399 -13.037 1.00 0.00 H new ATOM 383 N MET A 742 24.445 -17.913 -8.475 1.00 0.00 N ATOM 384 CA MET A 742 24.703 -16.570 -7.977 1.00 0.00 C ATOM 385 C MET A 742 25.106 -15.644 -9.115 1.00 0.00 C ATOM 386 O MET A 742 25.042 -14.424 -8.979 1.00 0.00 O ATOM 387 CB MET A 742 25.787 -16.580 -6.897 1.00 0.00 C ATOM 388 CG MET A 742 25.388 -17.348 -5.645 1.00 0.00 C ATOM 389 SD MET A 742 26.578 -17.165 -4.300 1.00 0.00 S ATOM 390 CE MET A 742 28.059 -17.821 -5.064 1.00 0.00 C ATOM 0 H MET A 742 25.263 -18.522 -8.502 1.00 0.00 H new ATOM 0 HA MET A 742 23.780 -16.198 -7.531 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.696 -17.019 -7.309 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.026 -15.552 -6.623 1.00 0.00 H new ATOM 0 HG2 MET A 742 24.411 -17.002 -5.308 1.00 0.00 H new ATOM 0 HG3 MET A 742 25.285 -18.405 -5.891 1.00 0.00 H new ATOM 0 HE1 MET A 742 28.805 -18.025 -4.296 1.00 0.00 H new ATOM 0 HE2 MET A 742 27.818 -18.745 -5.590 1.00 0.00 H new ATOM 0 HE3 MET A 742 28.456 -17.093 -5.772 1.00 0.00 H new ATOM 400 N GLN A 743 25.510 -16.235 -10.235 1.00 0.00 N ATOM 401 CA GLN A 743 25.908 -15.473 -11.413 1.00 0.00 C ATOM 402 C GLN A 743 25.314 -16.088 -12.676 1.00 0.00 C ATOM 403 O GLN A 743 25.416 -17.294 -12.898 1.00 0.00 O ATOM 404 CB GLN A 743 27.432 -15.419 -11.537 1.00 0.00 C ATOM 405 CG GLN A 743 28.110 -14.602 -10.451 1.00 0.00 C ATOM 406 CD GLN A 743 29.615 -14.566 -10.612 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.326 -15.411 -10.076 1.00 0.00 O ATOM 408 NE2 GLN A 743 30.109 -13.587 -11.351 1.00 0.00 N ATOM 0 H GLN A 743 25.570 -17.247 -10.351 1.00 0.00 H new ATOM 0 HA GLN A 743 25.528 -14.458 -11.297 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.825 -16.435 -11.512 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.693 -15.000 -12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.721 -13.584 -10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.861 -15.021 -9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.483 -12.905 -11.779 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.116 -13.514 -11.493 1.00 0.00 H new ATOM 417 N LEU A 744 24.686 -15.255 -13.488 1.00 0.00 N ATOM 418 CA LEU A 744 24.117 -15.692 -14.751 1.00 0.00 C ATOM 419 C LEU A 744 24.877 -15.060 -15.903 1.00 0.00 C ATOM 420 O LEU A 744 24.790 -13.852 -16.134 1.00 0.00 O ATOM 421 CB LEU A 744 22.633 -15.328 -14.837 1.00 0.00 C ATOM 422 CG LEU A 744 21.907 -15.840 -16.084 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.971 -17.358 -16.157 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.462 -15.370 -16.086 1.00 0.00 C ATOM 0 H LEU A 744 24.557 -14.262 -13.292 1.00 0.00 H new ATOM 0 HA LEU A 744 24.205 -16.777 -14.813 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.127 -15.721 -13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.539 -14.243 -14.801 1.00 0.00 H new ATOM 0 HG LEU A 744 22.406 -15.433 -16.963 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.449 -17.702 -17.050 1.00 0.00 H new ATOM 0 HD12 LEU A 744 23.013 -17.677 -16.200 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.497 -17.785 -15.273 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.960 -15.742 -16.979 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.955 -15.750 -15.199 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.434 -14.280 -16.081 1.00 0.00 H new ATOM 436 N GLU A 745 25.636 -15.878 -16.602 1.00 0.00 N ATOM 437 CA GLU A 745 26.439 -15.414 -17.720 1.00 0.00 C ATOM 438 C GLU A 745 25.677 -15.600 -19.027 1.00 0.00 C ATOM 439 O GLU A 745 25.452 -16.728 -19.472 1.00 0.00 O ATOM 440 CB GLU A 745 27.766 -16.174 -17.761 1.00 0.00 C ATOM 441 CG GLU A 745 28.472 -16.214 -16.412 1.00 0.00 C ATOM 442 CD GLU A 745 29.828 -16.884 -16.469 1.00 0.00 C ATOM 443 OE1 GLU A 745 29.898 -18.077 -16.828 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.836 -16.215 -16.159 1.00 0.00 O ATOM 0 H GLU A 745 25.715 -16.878 -16.415 1.00 0.00 H new ATOM 0 HA GLU A 745 26.649 -14.352 -17.590 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.584 -17.194 -18.100 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.423 -15.707 -18.495 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.592 -15.196 -16.042 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.843 -16.742 -15.695 1.00 0.00 H new ATOM 451 N PHE A 746 25.265 -14.491 -19.623 1.00 0.00 N ATOM 452 CA PHE A 746 24.497 -14.524 -20.860 1.00 0.00 C ATOM 453 C PHE A 746 25.407 -14.726 -22.068 1.00 0.00 C ATOM 454 O PHE A 746 26.598 -14.419 -22.010 1.00 0.00 O ATOM 455 CB PHE A 746 23.698 -13.229 -21.031 1.00 0.00 C ATOM 456 CG PHE A 746 22.502 -13.117 -20.127 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.611 -12.539 -18.872 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.265 -13.584 -20.540 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.509 -12.430 -18.048 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.159 -13.476 -19.720 1.00 0.00 C ATOM 461 CZ PHE A 746 20.280 -12.899 -18.472 1.00 0.00 C ATOM 0 H PHE A 746 25.450 -13.553 -19.268 1.00 0.00 H new ATOM 0 HA PHE A 746 23.808 -15.366 -20.798 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.358 -12.381 -20.848 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.365 -13.155 -22.066 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.568 -12.170 -18.535 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.164 -14.038 -21.515 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.607 -11.978 -17.072 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.200 -13.843 -20.055 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.417 -12.814 -17.829 1.00 0.00 H new ATOM 471 N PRO A 747 24.852 -15.250 -23.178 1.00 0.00 N ATOM 472 CA PRO A 747 25.597 -15.445 -24.428 1.00 0.00 C ATOM 473 C PRO A 747 26.174 -14.138 -24.978 1.00 0.00 C ATOM 474 O PRO A 747 25.672 -13.049 -24.683 1.00 0.00 O ATOM 475 CB PRO A 747 24.543 -16.002 -25.395 1.00 0.00 C ATOM 476 CG PRO A 747 23.487 -16.581 -24.522 1.00 0.00 C ATOM 477 CD PRO A 747 23.460 -15.721 -23.292 1.00 0.00 C ATOM 0 HA PRO A 747 26.456 -16.100 -24.283 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.140 -15.217 -26.034 1.00 0.00 H new ATOM 0 HB3 PRO A 747 24.971 -16.759 -26.052 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.519 -16.578 -25.023 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.712 -17.617 -24.270 1.00 0.00 H new ATOM 0 HD2 PRO A 747 22.762 -14.891 -23.397 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.153 -16.287 -22.412 1.00 0.00 H new ATOM 485 N PRO A 748 27.236 -14.229 -25.792 1.00 0.00 N ATOM 486 CA PRO A 748 27.869 -13.055 -26.407 1.00 0.00 C ATOM 487 C PRO A 748 27.040 -12.466 -27.550 1.00 0.00 C ATOM 488 O PRO A 748 27.313 -11.367 -28.024 1.00 0.00 O ATOM 489 CB PRO A 748 29.184 -13.612 -26.947 1.00 0.00 C ATOM 490 CG PRO A 748 28.910 -15.052 -27.209 1.00 0.00 C ATOM 491 CD PRO A 748 27.926 -15.484 -26.157 1.00 0.00 C ATOM 0 HA PRO A 748 27.986 -12.240 -25.693 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.488 -13.095 -27.857 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.992 -13.488 -26.226 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.501 -15.196 -28.209 1.00 0.00 H new ATOM 0 HG3 PRO A 748 29.826 -15.640 -27.152 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.228 -16.228 -26.542 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.427 -15.931 -25.298 1.00 0.00 H new ATOM 499 N SER A 749 26.029 -13.210 -27.978 1.00 0.00 N ATOM 500 CA SER A 749 25.189 -12.818 -29.101 1.00 0.00 C ATOM 501 C SER A 749 24.262 -11.643 -28.755 1.00 0.00 C ATOM 502 O SER A 749 23.643 -11.053 -29.642 1.00 0.00 O ATOM 503 CB SER A 749 24.366 -14.022 -29.546 1.00 0.00 C ATOM 504 OG SER A 749 25.196 -15.149 -29.795 1.00 0.00 O ATOM 0 H SER A 749 25.768 -14.102 -27.557 1.00 0.00 H new ATOM 0 HA SER A 749 25.838 -12.481 -29.909 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.634 -14.269 -28.777 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.809 -13.771 -30.448 1.00 0.00 H new ATOM 0 HG SER A 749 24.643 -15.907 -30.077 1.00 0.00 H new ATOM 510 N LEU A 750 24.153 -11.324 -27.468 1.00 0.00 N ATOM 511 CA LEU A 750 23.360 -10.178 -27.021 1.00 0.00 C ATOM 512 C LEU A 750 23.916 -8.884 -27.609 1.00 0.00 C ATOM 513 O LEU A 750 25.081 -8.549 -27.394 1.00 0.00 O ATOM 514 CB LEU A 750 23.366 -10.086 -25.495 1.00 0.00 C ATOM 515 CG LEU A 750 22.331 -10.954 -24.769 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.577 -12.436 -25.018 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.342 -10.651 -23.276 1.00 0.00 C ATOM 0 H LEU A 750 24.604 -11.843 -26.714 1.00 0.00 H new ATOM 0 HA LEU A 750 22.336 -10.319 -27.367 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.358 -10.362 -25.137 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.203 -9.046 -25.212 1.00 0.00 H new ATOM 0 HG LEU A 750 21.347 -10.711 -25.169 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.826 -13.023 -24.489 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.512 -12.641 -26.087 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.569 -12.706 -24.657 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.603 -11.274 -22.773 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.331 -10.862 -22.869 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.100 -9.600 -23.116 1.00 0.00 H new ATOM 529 N ASN A 751 23.085 -8.163 -28.350 1.00 0.00 N ATOM 530 CA ASN A 751 23.509 -6.904 -28.951 1.00 0.00 C ATOM 531 C ASN A 751 23.445 -5.798 -27.900 1.00 0.00 C ATOM 532 O ASN A 751 23.026 -6.046 -26.769 1.00 0.00 O ATOM 533 CB ASN A 751 22.653 -6.557 -30.187 1.00 0.00 C ATOM 534 CG ASN A 751 21.400 -5.743 -29.886 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.420 -4.512 -29.935 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.304 -6.412 -29.574 1.00 0.00 N ATOM 0 H ASN A 751 22.120 -8.425 -28.549 1.00 0.00 H new ATOM 0 HA ASN A 751 24.538 -7.003 -29.298 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.269 -6.002 -30.894 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.358 -7.484 -30.680 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.442 -5.909 -29.365 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.320 -7.431 -29.542 1.00 0.00 H new ATOM 543 N SER A 752 23.860 -4.591 -28.264 1.00 0.00 N ATOM 544 CA SER A 752 23.905 -3.470 -27.326 1.00 0.00 C ATOM 545 C SER A 752 22.549 -3.261 -26.640 1.00 0.00 C ATOM 546 O SER A 752 22.483 -2.952 -25.448 1.00 0.00 O ATOM 547 CB SER A 752 24.329 -2.194 -28.062 1.00 0.00 C ATOM 548 OG SER A 752 24.611 -1.138 -27.156 1.00 0.00 O ATOM 0 H SER A 752 24.172 -4.360 -29.207 1.00 0.00 H new ATOM 0 HA SER A 752 24.637 -3.702 -26.552 1.00 0.00 H new ATOM 0 HB2 SER A 752 25.211 -2.399 -28.669 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.537 -1.887 -28.745 1.00 0.00 H new ATOM 0 HG SER A 752 24.880 -0.340 -27.657 1.00 0.00 H new ATOM 554 N HIS A 753 21.472 -3.461 -27.392 1.00 0.00 N ATOM 555 CA HIS A 753 20.122 -3.281 -26.870 1.00 0.00 C ATOM 556 C HIS A 753 19.720 -4.453 -25.979 1.00 0.00 C ATOM 557 O HIS A 753 18.910 -4.293 -25.065 1.00 0.00 O ATOM 558 CB HIS A 753 19.122 -3.119 -28.019 1.00 0.00 C ATOM 559 CG HIS A 753 19.384 -1.916 -28.871 1.00 0.00 C ATOM 560 ND1 HIS A 753 20.114 -1.944 -30.039 1.00 0.00 N ATOM 561 CD2 HIS A 753 19.003 -0.626 -28.699 1.00 0.00 C ATOM 562 CE1 HIS A 753 20.156 -0.701 -30.529 1.00 0.00 C ATOM 563 NE2 HIS A 753 19.496 0.140 -29.752 1.00 0.00 N ATOM 0 H HIS A 753 21.508 -3.749 -28.370 1.00 0.00 H new ATOM 0 HA HIS A 753 20.111 -2.374 -26.265 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.151 -4.011 -28.645 1.00 0.00 H new ATOM 0 HB3 HIS A 753 18.115 -3.051 -27.607 1.00 0.00 H new ATOM 0 HD1 HIS A 753 20.546 -2.768 -30.456 1.00 0.00 H new ATOM 0 HD2 HIS A 753 18.411 -0.252 -27.876 1.00 0.00 H new ATOM 0 HE1 HIS A 753 20.663 -0.421 -31.441 1.00 0.00 H new ATOM 571 N ASP A 754 20.292 -5.627 -26.240 1.00 0.00 N ATOM 572 CA ASP A 754 20.052 -6.795 -25.394 1.00 0.00 C ATOM 573 C ASP A 754 20.773 -6.611 -24.068 1.00 0.00 C ATOM 574 O ASP A 754 20.244 -6.950 -23.008 1.00 0.00 O ATOM 575 CB ASP A 754 20.534 -8.095 -26.051 1.00 0.00 C ATOM 576 CG ASP A 754 19.763 -8.480 -27.298 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.513 -8.479 -27.266 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.411 -8.795 -28.322 1.00 0.00 O ATOM 0 H ASP A 754 20.921 -5.795 -27.025 1.00 0.00 H new ATOM 0 HA ASP A 754 18.976 -6.877 -25.242 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.589 -7.991 -26.306 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.460 -8.905 -25.326 1.00 0.00 H new ATOM 583 N ARG A 755 21.990 -6.072 -24.141 1.00 0.00 N ATOM 584 CA ARG A 755 22.759 -5.740 -22.949 1.00 0.00 C ATOM 585 C ARG A 755 21.957 -4.795 -22.076 1.00 0.00 C ATOM 586 O ARG A 755 21.655 -5.096 -20.922 1.00 0.00 O ATOM 587 CB ARG A 755 24.068 -5.049 -23.314 1.00 0.00 C ATOM 588 CG ARG A 755 24.900 -5.768 -24.354 1.00 0.00 C ATOM 589 CD ARG A 755 25.433 -7.098 -23.860 1.00 0.00 C ATOM 590 NE ARG A 755 26.465 -7.604 -24.757 1.00 0.00 N ATOM 591 CZ ARG A 755 26.894 -8.859 -24.793 1.00 0.00 C ATOM 592 NH1 ARG A 755 26.357 -9.785 -24.004 1.00 0.00 N ATOM 593 NH2 ARG A 755 27.855 -9.188 -25.637 1.00 0.00 N ATOM 0 H ARG A 755 22.463 -5.857 -25.019 1.00 0.00 H new ATOM 0 HA ARG A 755 22.976 -6.669 -22.422 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.843 -4.047 -23.679 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.665 -4.932 -22.409 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.296 -5.932 -25.246 1.00 0.00 H new ATOM 0 HG3 ARG A 755 25.736 -5.133 -24.647 1.00 0.00 H new ATOM 0 HD2 ARG A 755 25.842 -6.982 -22.856 1.00 0.00 H new ATOM 0 HD3 ARG A 755 24.618 -7.819 -23.791 1.00 0.00 H new ATOM 0 HE ARG A 755 26.890 -6.942 -25.407 1.00 0.00 H new ATOM 0 HH11 ARG A 755 25.606 -9.534 -23.361 1.00 0.00 H new ATOM 0 HH12 ARG A 755 26.696 -10.746 -24.042 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.258 -8.481 -26.251 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.194 -10.149 -25.675 1.00 0.00 H new ATOM 607 N LEU A 756 21.604 -3.652 -22.664 1.00 0.00 N ATOM 608 CA LEU A 756 20.852 -2.612 -21.977 1.00 0.00 C ATOM 609 C LEU A 756 19.568 -3.171 -21.377 1.00 0.00 C ATOM 610 O LEU A 756 19.184 -2.801 -20.271 1.00 0.00 O ATOM 611 CB LEU A 756 20.531 -1.473 -22.952 1.00 0.00 C ATOM 612 CG LEU A 756 19.716 -0.320 -22.365 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.502 0.396 -21.280 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.301 0.652 -23.459 1.00 0.00 C ATOM 0 H LEU A 756 21.834 -3.425 -23.631 1.00 0.00 H new ATOM 0 HA LEU A 756 21.464 -2.225 -21.162 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.468 -1.073 -23.339 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.986 -1.886 -23.801 1.00 0.00 H new ATOM 0 HG LEU A 756 18.814 -0.733 -21.914 1.00 0.00 H new ATOM 0 HD11 LEU A 756 19.904 1.213 -20.876 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.743 -0.306 -20.482 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.424 0.796 -21.702 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.722 1.466 -23.022 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.190 1.058 -23.942 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.693 0.130 -24.198 1.00 0.00 H new ATOM 626 N ARG A 757 18.922 -4.077 -22.106 1.00 0.00 N ATOM 627 CA ARG A 757 17.708 -4.719 -21.630 1.00 0.00 C ATOM 628 C ARG A 757 17.970 -5.421 -20.301 1.00 0.00 C ATOM 629 O ARG A 757 17.228 -5.249 -19.338 1.00 0.00 O ATOM 630 CB ARG A 757 17.206 -5.724 -22.664 1.00 0.00 C ATOM 631 CG ARG A 757 15.817 -6.270 -22.371 1.00 0.00 C ATOM 632 CD ARG A 757 14.790 -5.152 -22.296 1.00 0.00 C ATOM 633 NE ARG A 757 13.420 -5.654 -22.264 1.00 0.00 N ATOM 634 CZ ARG A 757 12.353 -4.879 -22.107 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.494 -3.573 -21.907 1.00 0.00 N ATOM 636 NH2 ARG A 757 11.142 -5.412 -22.140 1.00 0.00 N ATOM 0 H ARG A 757 19.223 -4.382 -23.032 1.00 0.00 H new ATOM 0 HA ARG A 757 16.944 -3.957 -21.479 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.199 -5.248 -23.645 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.908 -6.556 -22.718 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.531 -6.978 -23.148 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.830 -6.818 -21.429 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.975 -4.552 -21.405 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.912 -4.492 -23.155 1.00 0.00 H new ATOM 0 HE ARG A 757 13.274 -6.658 -22.368 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.426 -3.160 -21.873 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.670 -2.984 -21.787 1.00 0.00 H new ATOM 0 HH21 ARG A 757 11.030 -6.415 -22.286 1.00 0.00 H new ATOM 0 HH22 ARG A 757 10.321 -4.819 -22.020 1.00 0.00 H new ATOM 650 N VAL A 758 19.046 -6.197 -20.256 1.00 0.00 N ATOM 651 CA VAL A 758 19.423 -6.907 -19.044 1.00 0.00 C ATOM 652 C VAL A 758 19.820 -5.926 -17.940 1.00 0.00 C ATOM 653 O VAL A 758 19.372 -6.055 -16.801 1.00 0.00 O ATOM 654 CB VAL A 758 20.587 -7.886 -19.301 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.985 -8.605 -18.024 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.216 -8.893 -20.374 1.00 0.00 C ATOM 0 H VAL A 758 19.672 -6.350 -21.047 1.00 0.00 H new ATOM 0 HA VAL A 758 18.552 -7.478 -18.723 1.00 0.00 H new ATOM 0 HB VAL A 758 21.441 -7.304 -19.649 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.807 -9.289 -18.233 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.301 -7.875 -17.279 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.133 -9.168 -17.643 1.00 0.00 H new ATOM 0 HG21 VAL A 758 21.051 -9.573 -20.539 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.343 -9.461 -20.053 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.987 -8.368 -21.302 1.00 0.00 H new ATOM 666 N HIS A 759 20.652 -4.941 -18.292 1.00 0.00 N ATOM 667 CA HIS A 759 21.107 -3.933 -17.333 1.00 0.00 C ATOM 668 C HIS A 759 19.920 -3.225 -16.682 1.00 0.00 C ATOM 669 O HIS A 759 19.834 -3.143 -15.457 1.00 0.00 O ATOM 670 CB HIS A 759 22.021 -2.894 -18.003 1.00 0.00 C ATOM 671 CG HIS A 759 23.379 -3.408 -18.388 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.318 -3.728 -17.443 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.909 -3.610 -19.616 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.391 -4.111 -18.105 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.194 -4.060 -19.430 1.00 0.00 N ATOM 0 H HIS A 759 21.023 -4.821 -19.234 1.00 0.00 H new ATOM 0 HA HIS A 759 21.677 -4.454 -16.564 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.524 -2.515 -18.896 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.146 -2.049 -17.325 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.416 -3.448 -20.563 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.313 -4.426 -17.639 1.00 0.00 H new ATOM 0 HE2 HIS A 759 25.866 -4.307 -20.157 1.00 0.00 H new ATOM 683 N GLN A 760 18.997 -2.737 -17.509 1.00 0.00 N ATOM 684 CA GLN A 760 17.808 -2.043 -17.025 1.00 0.00 C ATOM 685 C GLN A 760 17.024 -2.903 -16.040 1.00 0.00 C ATOM 686 O GLN A 760 16.645 -2.442 -14.961 1.00 0.00 O ATOM 687 CB GLN A 760 16.902 -1.660 -18.196 1.00 0.00 C ATOM 688 CG GLN A 760 17.446 -0.533 -19.058 1.00 0.00 C ATOM 689 CD GLN A 760 16.566 -0.244 -20.258 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.919 -1.140 -20.805 1.00 0.00 O ATOM 691 NE2 GLN A 760 16.534 1.014 -20.672 1.00 0.00 N ATOM 0 H GLN A 760 19.052 -2.811 -18.525 1.00 0.00 H new ATOM 0 HA GLN A 760 18.141 -1.142 -16.510 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.744 -2.538 -18.822 1.00 0.00 H new ATOM 0 HB3 GLN A 760 15.927 -1.367 -17.807 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.539 0.370 -18.454 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.448 -0.793 -19.400 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.085 1.724 -20.190 1.00 0.00 H new ATOM 0 HE22 GLN A 760 15.958 1.273 -21.473 1.00 0.00 H new ATOM 700 N ILE A 761 16.792 -4.152 -16.415 1.00 0.00 N ATOM 701 CA ILE A 761 15.998 -5.057 -15.599 1.00 0.00 C ATOM 702 C ILE A 761 16.709 -5.403 -14.292 1.00 0.00 C ATOM 703 O ILE A 761 16.123 -5.298 -13.214 1.00 0.00 O ATOM 704 CB ILE A 761 15.655 -6.348 -16.370 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.795 -6.010 -17.588 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.927 -7.332 -15.463 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.609 -7.165 -18.547 1.00 0.00 C ATOM 0 H ILE A 761 17.143 -4.562 -17.280 1.00 0.00 H new ATOM 0 HA ILE A 761 15.070 -4.538 -15.358 1.00 0.00 H new ATOM 0 HB ILE A 761 16.580 -6.814 -16.708 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.816 -5.673 -17.247 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.251 -5.177 -18.122 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.692 -8.237 -16.023 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.563 -7.584 -14.615 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.004 -6.879 -15.102 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.988 -6.846 -19.384 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.581 -7.489 -18.919 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.124 -7.993 -18.030 1.00 0.00 H new ATOM 719 N ALA A 762 17.978 -5.791 -14.383 1.00 0.00 N ATOM 720 CA ALA A 762 18.744 -6.174 -13.202 1.00 0.00 C ATOM 721 C ALA A 762 18.896 -4.992 -12.253 1.00 0.00 C ATOM 722 O ALA A 762 18.961 -5.156 -11.035 1.00 0.00 O ATOM 723 CB ALA A 762 20.105 -6.722 -13.607 1.00 0.00 C ATOM 0 H ALA A 762 18.496 -5.848 -15.260 1.00 0.00 H new ATOM 0 HA ALA A 762 18.201 -6.960 -12.677 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.664 -7.003 -12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 762 19.970 -7.598 -14.242 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.656 -5.958 -14.155 1.00 0.00 H new ATOM 729 N GLU A 763 18.933 -3.798 -12.824 1.00 0.00 N ATOM 730 CA GLU A 763 19.016 -2.570 -12.049 1.00 0.00 C ATOM 731 C GLU A 763 17.699 -2.301 -11.315 1.00 0.00 C ATOM 732 O GLU A 763 17.700 -1.843 -10.175 1.00 0.00 O ATOM 733 CB GLU A 763 19.365 -1.406 -12.975 1.00 0.00 C ATOM 734 CG GLU A 763 19.628 -0.095 -12.262 1.00 0.00 C ATOM 735 CD GLU A 763 20.173 0.957 -13.197 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.383 1.555 -13.959 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.398 1.197 -13.173 1.00 0.00 O ATOM 0 H GLU A 763 18.906 -3.653 -13.833 1.00 0.00 H new ATOM 0 HA GLU A 763 19.799 -2.676 -11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.248 -1.673 -13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.548 -1.263 -13.682 1.00 0.00 H new ATOM 0 HG2 GLU A 763 18.703 0.265 -11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.336 -0.260 -11.449 1.00 0.00 H new ATOM 744 N GLU A 764 16.583 -2.606 -11.971 1.00 0.00 N ATOM 745 CA GLU A 764 15.265 -2.431 -11.366 1.00 0.00 C ATOM 746 C GLU A 764 15.069 -3.431 -10.227 1.00 0.00 C ATOM 747 O GLU A 764 14.468 -3.121 -9.199 1.00 0.00 O ATOM 748 CB GLU A 764 14.169 -2.607 -12.424 1.00 0.00 C ATOM 749 CG GLU A 764 12.762 -2.365 -11.901 1.00 0.00 C ATOM 750 CD GLU A 764 11.713 -2.442 -12.992 1.00 0.00 C ATOM 751 OE1 GLU A 764 11.596 -1.474 -13.772 1.00 0.00 O ATOM 752 OE2 GLU A 764 10.998 -3.463 -13.075 1.00 0.00 O ATOM 0 H GLU A 764 16.564 -2.976 -12.922 1.00 0.00 H new ATOM 0 HA GLU A 764 15.198 -1.422 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.362 -1.922 -13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.227 -3.618 -12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.534 -3.101 -11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.718 -1.384 -11.428 1.00 0.00 H new ATOM 759 N HIS A 765 15.592 -4.635 -10.421 1.00 0.00 N ATOM 760 CA HIS A 765 15.523 -5.675 -9.400 1.00 0.00 C ATOM 761 C HIS A 765 16.514 -5.385 -8.276 1.00 0.00 C ATOM 762 O HIS A 765 16.347 -5.842 -7.143 1.00 0.00 O ATOM 763 CB HIS A 765 15.804 -7.050 -10.015 1.00 0.00 C ATOM 764 CG HIS A 765 14.715 -7.540 -10.928 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.296 -8.849 -10.988 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.957 -6.869 -11.834 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.326 -8.931 -11.903 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.082 -7.758 -12.445 1.00 0.00 N ATOM 0 H HIS A 765 16.070 -4.917 -11.277 1.00 0.00 H new ATOM 0 HA HIS A 765 14.516 -5.681 -8.983 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.739 -7.004 -10.573 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.946 -7.774 -9.213 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.662 -9.622 -10.431 1.00 0.00 H new ATOM 0 HD2 HIS A 765 14.024 -5.812 -12.046 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.809 -9.843 -12.164 1.00 0.00 H new ATOM 776 N GLY A 766 17.540 -4.608 -8.592 1.00 0.00 N ATOM 777 CA GLY A 766 18.526 -4.238 -7.600 1.00 0.00 C ATOM 778 C GLY A 766 19.605 -5.287 -7.445 1.00 0.00 C ATOM 779 O GLY A 766 19.975 -5.647 -6.327 1.00 0.00 O ATOM 0 H GLY A 766 17.707 -4.226 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.983 -3.289 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.033 -4.083 -6.641 1.00 0.00 H new ATOM 783 N LEU A 767 20.096 -5.792 -8.564 1.00 0.00 N ATOM 784 CA LEU A 767 21.165 -6.777 -8.551 1.00 0.00 C ATOM 785 C LEU A 767 22.440 -6.170 -9.125 1.00 0.00 C ATOM 786 O LEU A 767 22.449 -5.015 -9.552 1.00 0.00 O ATOM 787 CB LEU A 767 20.767 -8.018 -9.359 1.00 0.00 C ATOM 788 CG LEU A 767 19.486 -8.723 -8.900 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.151 -9.875 -9.833 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.635 -9.230 -7.474 1.00 0.00 C ATOM 0 H LEU A 767 19.770 -5.535 -9.496 1.00 0.00 H new ATOM 0 HA LEU A 767 21.344 -7.078 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.647 -7.727 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.588 -8.734 -9.320 1.00 0.00 H new ATOM 0 HG LEU A 767 18.670 -8.001 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.239 -10.365 -9.493 1.00 0.00 H new ATOM 0 HD12 LEU A 767 19.003 -9.494 -10.843 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.971 -10.594 -9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.715 -9.727 -7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.464 -9.936 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.833 -8.390 -6.808 1.00 0.00 H new ATOM 802 N ARG A 768 23.511 -6.944 -9.129 1.00 0.00 N ATOM 803 CA ARG A 768 24.773 -6.493 -9.687 1.00 0.00 C ATOM 804 C ARG A 768 24.905 -7.000 -11.116 1.00 0.00 C ATOM 805 O ARG A 768 24.641 -8.166 -11.386 1.00 0.00 O ATOM 806 CB ARG A 768 25.934 -6.999 -8.825 1.00 0.00 C ATOM 807 CG ARG A 768 27.307 -6.622 -9.351 1.00 0.00 C ATOM 808 CD ARG A 768 28.407 -7.099 -8.416 1.00 0.00 C ATOM 809 NE ARG A 768 29.738 -6.951 -9.007 1.00 0.00 N ATOM 810 CZ ARG A 768 30.875 -7.228 -8.365 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.860 -7.553 -7.081 1.00 0.00 N ATOM 812 NH2 ARG A 768 32.036 -7.137 -9.002 1.00 0.00 N ATOM 0 H ARG A 768 23.531 -7.891 -8.751 1.00 0.00 H new ATOM 0 HA ARG A 768 24.801 -5.403 -9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.822 -6.603 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.871 -8.085 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.452 -7.058 -10.339 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.370 -5.540 -9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.360 -6.534 -7.485 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.238 -8.146 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 768 29.800 -6.616 -9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 768 29.975 -7.593 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.733 -7.763 -6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 768 32.059 -6.855 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.905 -7.349 -8.511 1.00 0.00 H new ATOM 826 N HIS A 769 25.299 -6.131 -12.033 1.00 0.00 N ATOM 827 CA HIS A 769 25.370 -6.505 -13.439 1.00 0.00 C ATOM 828 C HIS A 769 26.522 -5.804 -14.147 1.00 0.00 C ATOM 829 O HIS A 769 26.745 -4.607 -13.966 1.00 0.00 O ATOM 830 CB HIS A 769 24.033 -6.215 -14.147 1.00 0.00 C ATOM 831 CG HIS A 769 23.415 -4.886 -13.798 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.479 -3.814 -14.649 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.716 -4.529 -12.695 1.00 0.00 C ATOM 834 CE1 HIS A 769 22.823 -2.835 -14.054 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.344 -3.221 -12.865 1.00 0.00 N ATOM 0 H HIS A 769 25.573 -5.169 -11.833 1.00 0.00 H new ATOM 0 HA HIS A 769 25.560 -7.577 -13.487 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.191 -6.256 -15.225 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.326 -7.006 -13.898 1.00 0.00 H new ATOM 0 HD1 HIS A 769 23.940 -3.779 -15.558 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.494 -5.155 -11.844 1.00 0.00 H new ATOM 0 HE1 HIS A 769 22.690 -1.849 -14.473 1.00 0.00 H new ATOM 843 N ASP A 770 27.277 -6.587 -14.913 1.00 0.00 N ATOM 844 CA ASP A 770 28.376 -6.079 -15.732 1.00 0.00 C ATOM 845 C ASP A 770 28.866 -7.191 -16.647 1.00 0.00 C ATOM 846 O ASP A 770 28.544 -8.357 -16.428 1.00 0.00 O ATOM 847 CB ASP A 770 29.529 -5.553 -14.863 1.00 0.00 C ATOM 848 CG ASP A 770 30.612 -4.878 -15.687 1.00 0.00 C ATOM 849 OD1 ASP A 770 30.273 -4.183 -16.669 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.808 -5.050 -15.369 1.00 0.00 O ATOM 0 H ASP A 770 27.144 -7.596 -14.984 1.00 0.00 H new ATOM 0 HA ASP A 770 28.012 -5.242 -16.328 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.137 -4.845 -14.133 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.965 -6.380 -14.302 1.00 0.00 H new ATOM 855 N SER A 771 29.631 -6.847 -17.666 1.00 0.00 N ATOM 856 CA SER A 771 30.031 -7.823 -18.660 1.00 0.00 C ATOM 857 C SER A 771 31.515 -8.148 -18.576 1.00 0.00 C ATOM 858 O SER A 771 32.338 -7.299 -18.237 1.00 0.00 O ATOM 859 CB SER A 771 29.692 -7.308 -20.053 1.00 0.00 C ATOM 860 OG SER A 771 28.347 -6.869 -20.121 1.00 0.00 O ATOM 0 H SER A 771 29.986 -5.904 -17.826 1.00 0.00 H new ATOM 0 HA SER A 771 29.481 -8.743 -18.460 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.360 -6.486 -20.313 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.858 -8.097 -20.786 1.00 0.00 H new ATOM 0 HG SER A 771 28.155 -6.542 -21.025 1.00 0.00 H new ATOM 866 N SER A 772 31.837 -9.390 -18.884 1.00 0.00 N ATOM 867 CA SER A 772 33.212 -9.839 -18.950 1.00 0.00 C ATOM 868 C SER A 772 33.582 -10.103 -20.404 1.00 0.00 C ATOM 869 O SER A 772 32.703 -10.344 -21.231 1.00 0.00 O ATOM 870 CB SER A 772 33.390 -11.106 -18.113 1.00 0.00 C ATOM 871 OG SER A 772 32.936 -10.900 -16.785 1.00 0.00 O ATOM 0 H SER A 772 31.152 -10.115 -19.095 1.00 0.00 H new ATOM 0 HA SER A 772 33.869 -9.068 -18.547 1.00 0.00 H new ATOM 0 HB2 SER A 772 32.837 -11.928 -18.568 1.00 0.00 H new ATOM 0 HB3 SER A 772 34.441 -11.396 -18.102 1.00 0.00 H new ATOM 0 HG SER A 772 33.057 -11.723 -16.267 1.00 0.00 H new ATOM 877 N GLY A 773 34.863 -10.038 -20.719 1.00 0.00 N ATOM 878 CA GLY A 773 35.291 -10.239 -22.088 1.00 0.00 C ATOM 879 C GLY A 773 35.327 -8.937 -22.861 1.00 0.00 C ATOM 880 O GLY A 773 35.011 -7.880 -22.314 1.00 0.00 O ATOM 0 H GLY A 773 35.614 -9.850 -20.055 1.00 0.00 H new ATOM 0 HA2 GLY A 773 36.281 -10.695 -22.096 1.00 0.00 H new ATOM 0 HA3 GLY A 773 34.615 -10.937 -22.582 1.00 0.00 H new ATOM 884 N GLU A 774 35.695 -9.007 -24.131 1.00 0.00 N ATOM 885 CA GLU A 774 35.836 -7.810 -24.947 1.00 0.00 C ATOM 886 C GLU A 774 35.177 -7.991 -26.308 1.00 0.00 C ATOM 887 O GLU A 774 35.181 -9.089 -26.867 1.00 0.00 O ATOM 888 CB GLU A 774 37.315 -7.472 -25.143 1.00 0.00 C ATOM 889 CG GLU A 774 38.058 -7.213 -23.845 1.00 0.00 C ATOM 890 CD GLU A 774 39.520 -6.898 -24.069 1.00 0.00 C ATOM 891 OE1 GLU A 774 40.322 -7.845 -24.215 1.00 0.00 O ATOM 892 OE2 GLU A 774 39.875 -5.701 -24.107 1.00 0.00 O ATOM 0 H GLU A 774 35.901 -9.879 -24.619 1.00 0.00 H new ATOM 0 HA GLU A 774 35.340 -6.993 -24.424 1.00 0.00 H new ATOM 0 HB2 GLU A 774 37.800 -8.293 -25.671 1.00 0.00 H new ATOM 0 HB3 GLU A 774 37.396 -6.591 -25.780 1.00 0.00 H new ATOM 0 HG2 GLU A 774 37.587 -6.382 -23.320 1.00 0.00 H new ATOM 0 HG3 GLU A 774 37.972 -8.088 -23.200 1.00 0.00 H new ATOM 899 N GLY A 775 34.602 -6.908 -26.821 1.00 0.00 N ATOM 900 CA GLY A 775 34.040 -6.908 -28.160 1.00 0.00 C ATOM 901 C GLY A 775 32.851 -7.831 -28.305 1.00 0.00 C ATOM 902 O GLY A 775 31.823 -7.642 -27.653 1.00 0.00 O ATOM 0 H GLY A 775 34.515 -6.020 -26.326 1.00 0.00 H new ATOM 0 HA2 GLY A 775 33.739 -5.894 -28.421 1.00 0.00 H new ATOM 0 HA3 GLY A 775 34.811 -7.204 -28.871 1.00 0.00 H new ATOM 906 N LYS A 776 32.993 -8.837 -29.158 1.00 0.00 N ATOM 907 CA LYS A 776 31.909 -9.764 -29.426 1.00 0.00 C ATOM 908 C LYS A 776 32.095 -11.041 -28.608 1.00 0.00 C ATOM 909 O LYS A 776 31.228 -11.909 -28.587 1.00 0.00 O ATOM 910 CB LYS A 776 31.846 -10.085 -30.920 1.00 0.00 C ATOM 911 CG LYS A 776 30.513 -10.666 -31.365 1.00 0.00 C ATOM 912 CD LYS A 776 30.477 -10.910 -32.866 1.00 0.00 C ATOM 913 CE LYS A 776 31.416 -12.032 -33.280 1.00 0.00 C ATOM 914 NZ LYS A 776 31.078 -13.320 -32.611 1.00 0.00 N ATOM 0 H LYS A 776 33.851 -9.029 -29.675 1.00 0.00 H new ATOM 0 HA LYS A 776 30.967 -9.301 -29.134 1.00 0.00 H new ATOM 0 HB2 LYS A 776 32.043 -9.175 -31.487 1.00 0.00 H new ATOM 0 HB3 LYS A 776 32.640 -10.791 -31.165 1.00 0.00 H new ATOM 0 HG2 LYS A 776 30.332 -11.604 -30.840 1.00 0.00 H new ATOM 0 HG3 LYS A 776 29.709 -9.985 -31.088 1.00 0.00 H new ATOM 0 HD2 LYS A 776 29.460 -11.157 -33.169 1.00 0.00 H new ATOM 0 HD3 LYS A 776 30.752 -9.994 -33.389 1.00 0.00 H new ATOM 0 HE2 LYS A 776 31.370 -12.162 -34.361 1.00 0.00 H new ATOM 0 HE3 LYS A 776 32.441 -11.755 -33.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 776 31.101 -14.090 -33.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 776 31.770 -13.513 -31.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 776 30.126 -13.257 -32.197 1.00 0.00 H new ATOM 928 N ARG A 777 33.240 -11.153 -27.942 1.00 0.00 N ATOM 929 CA ARG A 777 33.467 -12.238 -26.992 1.00 0.00 C ATOM 930 C ARG A 777 33.065 -11.784 -25.600 1.00 0.00 C ATOM 931 O ARG A 777 33.246 -12.494 -24.614 1.00 0.00 O ATOM 932 CB ARG A 777 34.930 -12.684 -26.998 1.00 0.00 C ATOM 933 CG ARG A 777 35.248 -13.712 -28.070 1.00 0.00 C ATOM 934 CD ARG A 777 36.701 -14.153 -28.001 1.00 0.00 C ATOM 935 NE ARG A 777 36.961 -15.329 -28.830 1.00 0.00 N ATOM 936 CZ ARG A 777 38.158 -15.900 -28.965 1.00 0.00 C ATOM 937 NH1 ARG A 777 39.227 -15.362 -28.388 1.00 0.00 N ATOM 938 NH2 ARG A 777 38.288 -17.004 -29.690 1.00 0.00 N ATOM 0 H ARG A 777 34.024 -10.508 -28.042 1.00 0.00 H new ATOM 0 HA ARG A 777 32.857 -13.091 -27.290 1.00 0.00 H new ATOM 0 HB2 ARG A 777 35.567 -11.811 -27.143 1.00 0.00 H new ATOM 0 HB3 ARG A 777 35.178 -13.101 -26.022 1.00 0.00 H new ATOM 0 HG2 ARG A 777 34.597 -14.578 -27.950 1.00 0.00 H new ATOM 0 HG3 ARG A 777 35.040 -13.291 -29.054 1.00 0.00 H new ATOM 0 HD2 ARG A 777 37.343 -13.334 -28.324 1.00 0.00 H new ATOM 0 HD3 ARG A 777 36.963 -14.375 -26.966 1.00 0.00 H new ATOM 0 HE ARG A 777 36.177 -15.739 -29.337 1.00 0.00 H new ATOM 0 HH11 ARG A 777 39.134 -14.508 -27.838 1.00 0.00 H new ATOM 0 HH12 ARG A 777 40.140 -15.803 -28.495 1.00 0.00 H new ATOM 0 HH21 ARG A 777 37.472 -17.415 -30.144 1.00 0.00 H new ATOM 0 HH22 ARG A 777 39.204 -17.441 -29.794 1.00 0.00 H new ATOM 952 N ARG A 778 32.525 -10.579 -25.546 1.00 0.00 N ATOM 953 CA ARG A 778 32.029 -10.001 -24.315 1.00 0.00 C ATOM 954 C ARG A 778 30.670 -10.603 -23.976 1.00 0.00 C ATOM 955 O ARG A 778 29.818 -10.767 -24.848 1.00 0.00 O ATOM 956 CB ARG A 778 31.933 -8.481 -24.476 1.00 0.00 C ATOM 957 CG ARG A 778 31.449 -7.734 -23.244 1.00 0.00 C ATOM 958 CD ARG A 778 31.546 -6.232 -23.456 1.00 0.00 C ATOM 959 NE ARG A 778 31.031 -5.466 -22.323 1.00 0.00 N ATOM 960 CZ ARG A 778 31.694 -4.463 -21.737 1.00 0.00 C ATOM 961 NH1 ARG A 778 32.916 -4.135 -22.150 1.00 0.00 N ATOM 962 NH2 ARG A 778 31.132 -3.792 -20.739 1.00 0.00 N ATOM 0 H ARG A 778 32.419 -9.973 -26.360 1.00 0.00 H new ATOM 0 HA ARG A 778 32.713 -10.223 -23.495 1.00 0.00 H new ATOM 0 HB2 ARG A 778 32.915 -8.097 -24.753 1.00 0.00 H new ATOM 0 HB3 ARG A 778 31.260 -8.260 -25.304 1.00 0.00 H new ATOM 0 HG2 ARG A 778 30.417 -8.010 -23.027 1.00 0.00 H new ATOM 0 HG3 ARG A 778 32.045 -8.024 -22.379 1.00 0.00 H new ATOM 0 HD2 ARG A 778 32.587 -5.961 -23.629 1.00 0.00 H new ATOM 0 HD3 ARG A 778 30.992 -5.960 -24.355 1.00 0.00 H new ATOM 0 HE ARG A 778 30.111 -5.711 -21.957 1.00 0.00 H new ATOM 0 HH11 ARG A 778 33.351 -4.649 -22.916 1.00 0.00 H new ATOM 0 HH12 ARG A 778 33.418 -3.369 -21.700 1.00 0.00 H new ATOM 0 HH21 ARG A 778 30.196 -4.042 -20.420 1.00 0.00 H new ATOM 0 HH22 ARG A 778 31.636 -3.027 -20.291 1.00 0.00 H new ATOM 976 N PHE A 779 30.479 -10.957 -22.721 1.00 0.00 N ATOM 977 CA PHE A 779 29.218 -11.515 -22.270 1.00 0.00 C ATOM 978 C PHE A 779 28.820 -10.887 -20.942 1.00 0.00 C ATOM 979 O PHE A 779 29.660 -10.693 -20.063 1.00 0.00 O ATOM 980 CB PHE A 779 29.313 -13.043 -22.152 1.00 0.00 C ATOM 981 CG PHE A 779 30.431 -13.532 -21.270 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.715 -13.680 -21.773 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.196 -13.856 -19.944 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.742 -14.133 -20.967 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.218 -14.311 -19.136 1.00 0.00 C ATOM 986 CZ PHE A 779 32.492 -14.450 -19.648 1.00 0.00 C ATOM 0 H PHE A 779 31.185 -10.868 -21.991 1.00 0.00 H new ATOM 0 HA PHE A 779 28.447 -11.287 -23.006 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.368 -13.424 -21.765 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.442 -13.465 -23.149 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.915 -13.438 -22.807 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.201 -13.751 -19.538 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.739 -14.239 -21.369 1.00 0.00 H new ATOM 0 HE2 PHE A 779 31.021 -14.558 -18.103 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.292 -14.807 -19.017 1.00 0.00 H new ATOM 996 N ILE A 780 27.546 -10.555 -20.803 1.00 0.00 N ATOM 997 CA ILE A 780 27.074 -9.891 -19.603 1.00 0.00 C ATOM 998 C ILE A 780 26.774 -10.904 -18.506 1.00 0.00 C ATOM 999 O ILE A 780 26.180 -11.956 -18.753 1.00 0.00 O ATOM 1000 CB ILE A 780 25.834 -9.007 -19.876 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.372 -8.333 -18.581 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.707 -9.814 -20.506 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.176 -7.424 -18.754 1.00 0.00 C ATOM 0 H ILE A 780 26.826 -10.734 -21.503 1.00 0.00 H new ATOM 0 HA ILE A 780 27.876 -9.234 -19.265 1.00 0.00 H new ATOM 0 HB ILE A 780 26.116 -8.232 -20.589 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.127 -9.103 -17.850 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.199 -7.754 -18.170 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.850 -9.164 -20.685 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.046 -10.236 -21.452 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.416 -10.620 -19.832 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.910 -6.985 -17.792 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.421 -6.630 -19.460 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.333 -8.000 -19.135 1.00 0.00 H new ATOM 1015 N THR A 781 27.217 -10.593 -17.303 1.00 0.00 N ATOM 1016 CA THR A 781 27.020 -11.467 -16.165 1.00 0.00 C ATOM 1017 C THR A 781 26.227 -10.754 -15.076 1.00 0.00 C ATOM 1018 O THR A 781 26.640 -9.708 -14.568 1.00 0.00 O ATOM 1019 CB THR A 781 28.369 -11.941 -15.598 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.148 -12.527 -16.650 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.168 -12.956 -14.477 1.00 0.00 C ATOM 0 H THR A 781 27.721 -9.732 -17.089 1.00 0.00 H new ATOM 0 HA THR A 781 26.458 -12.337 -16.504 1.00 0.00 H new ATOM 0 HB THR A 781 28.893 -11.079 -15.185 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.009 -12.828 -16.291 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.138 -13.273 -14.095 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.593 -12.499 -13.671 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.629 -13.821 -14.862 1.00 0.00 H new ATOM 1029 N VAL A 782 25.077 -11.313 -14.743 1.00 0.00 N ATOM 1030 CA VAL A 782 24.253 -10.790 -13.668 1.00 0.00 C ATOM 1031 C VAL A 782 24.546 -11.559 -12.390 1.00 0.00 C ATOM 1032 O VAL A 782 24.475 -12.784 -12.369 1.00 0.00 O ATOM 1033 CB VAL A 782 22.751 -10.895 -14.005 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.894 -10.254 -12.922 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.469 -10.255 -15.350 1.00 0.00 C ATOM 0 H VAL A 782 24.690 -12.136 -15.206 1.00 0.00 H new ATOM 0 HA VAL A 782 24.494 -9.735 -13.535 1.00 0.00 H new ATOM 0 HB VAL A 782 22.490 -11.952 -14.054 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.841 -10.345 -13.190 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.072 -10.758 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.155 -9.200 -12.828 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.406 -10.336 -15.576 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.754 -9.203 -15.320 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.044 -10.765 -16.123 1.00 0.00 H new ATOM 1045 N SER A 783 24.898 -10.845 -11.340 1.00 0.00 N ATOM 1046 CA SER A 783 25.274 -11.474 -10.094 1.00 0.00 C ATOM 1047 C SER A 783 24.341 -11.050 -8.973 1.00 0.00 C ATOM 1048 O SER A 783 24.068 -9.864 -8.781 1.00 0.00 O ATOM 1049 CB SER A 783 26.723 -11.112 -9.747 1.00 0.00 C ATOM 1050 OG SER A 783 27.156 -11.768 -8.566 1.00 0.00 O ATOM 0 H SER A 783 24.931 -9.826 -11.327 1.00 0.00 H new ATOM 0 HA SER A 783 25.194 -12.555 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.376 -11.386 -10.576 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.808 -10.033 -9.617 1.00 0.00 H new ATOM 0 HG SER A 783 27.293 -11.107 -7.856 1.00 0.00 H new ATOM 1056 N LYS A 784 23.840 -12.034 -8.249 1.00 0.00 N ATOM 1057 CA LYS A 784 23.064 -11.776 -7.051 1.00 0.00 C ATOM 1058 C LYS A 784 24.016 -11.422 -5.917 1.00 0.00 C ATOM 1059 O LYS A 784 23.628 -10.838 -4.904 1.00 0.00 O ATOM 1060 CB LYS A 784 22.231 -13.001 -6.683 1.00 0.00 C ATOM 1061 CG LYS A 784 21.235 -13.401 -7.761 1.00 0.00 C ATOM 1062 CD LYS A 784 20.202 -14.400 -7.258 1.00 0.00 C ATOM 1063 CE LYS A 784 20.841 -15.653 -6.679 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.820 -16.635 -6.220 1.00 0.00 N ATOM 0 H LYS A 784 23.957 -13.023 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 784 22.381 -10.945 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.899 -13.840 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.692 -12.800 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.725 -12.510 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.772 -13.833 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.583 -13.926 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 784 19.541 -14.679 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 784 21.478 -16.117 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 784 21.484 -15.379 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 20.014 -16.902 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 18.874 -16.208 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.858 -17.482 -6.822 1.00 0.00 H new ATOM 1078 N ARG A 785 25.268 -11.803 -6.112 1.00 0.00 N ATOM 1079 CA ARG A 785 26.337 -11.455 -5.199 1.00 0.00 C ATOM 1080 C ARG A 785 26.875 -10.073 -5.523 1.00 0.00 C ATOM 1081 O ARG A 785 27.603 -9.891 -6.501 1.00 0.00 O ATOM 1082 CB ARG A 785 27.463 -12.489 -5.279 1.00 0.00 C ATOM 1083 CG ARG A 785 27.204 -13.732 -4.451 1.00 0.00 C ATOM 1084 CD ARG A 785 27.347 -13.434 -2.971 1.00 0.00 C ATOM 1085 NE ARG A 785 26.937 -14.556 -2.131 1.00 0.00 N ATOM 1086 CZ ARG A 785 27.498 -14.847 -0.957 1.00 0.00 C ATOM 1087 NH1 ARG A 785 28.556 -14.162 -0.531 1.00 0.00 N ATOM 1088 NH2 ARG A 785 27.017 -15.837 -0.220 1.00 0.00 N ATOM 0 H ARG A 785 25.569 -12.363 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 785 25.939 -11.449 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 785 27.606 -12.779 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 785 28.393 -12.028 -4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 785 26.202 -14.108 -4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 785 27.904 -14.517 -4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 785 28.385 -13.182 -2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 785 26.747 -12.559 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 785 26.178 -15.151 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 785 28.941 -13.411 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 785 28.982 -14.388 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 785 26.217 -16.377 -0.551 1.00 0.00 H new ATOM 0 HH22 ARG A 785 27.446 -16.059 0.678 1.00 0.00 H new ATOM 1102 N ALA A 786 26.480 -9.102 -4.722 1.00 0.00 N ATOM 1103 CA ALA A 786 26.955 -7.743 -4.878 1.00 0.00 C ATOM 1104 C ALA A 786 28.318 -7.604 -4.226 1.00 0.00 C ATOM 1105 O ALA A 786 28.396 -7.716 -2.984 1.00 0.00 O ATOM 1106 CB ALA A 786 25.967 -6.750 -4.281 1.00 0.00 C ATOM 0 H ALA A 786 25.826 -9.232 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 786 27.045 -7.520 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 786 26.346 -5.736 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 786 25.006 -6.845 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 786 25.841 -6.957 -3.218 1.00 0.00 H new TER 1112 ALA A 786 HETATM 1113 P DGP A 801 27.483 -2.902 -23.800 1.00 0.00 P HETATM 1114 OP1 DGP A 801 28.489 -1.811 -23.825 1.00 0.00 O HETATM 1115 OP2 DGP A 801 27.607 -3.997 -22.802 1.00 0.00 O HETATM 1116 OP3 DGP A 801 27.417 -3.556 -25.249 1.00 0.00 O HETATM 1117 O5' DGP A 801 26.041 -2.242 -23.648 1.00 0.00 O HETATM 1118 C5' DGP A 801 25.431 -2.102 -22.366 1.00 0.00 C HETATM 1119 C4' DGP A 801 24.212 -1.210 -22.452 1.00 0.00 C HETATM 1120 O4' DGP A 801 23.610 -1.115 -21.144 1.00 0.00 O HETATM 1121 C3' DGP A 801 24.491 0.232 -22.870 1.00 0.00 C HETATM 1122 O3' DGP A 801 23.355 0.795 -23.537 1.00 0.00 O HETATM 1123 C2' DGP A 801 24.744 0.924 -21.543 1.00 0.00 C HETATM 1124 C1' DGP A 801 23.848 0.165 -20.575 1.00 0.00 C HETATM 1125 N9 DGP A 801 24.439 -0.032 -19.254 1.00 0.00 N HETATM 1126 C8 DGP A 801 25.701 -0.498 -18.982 1.00 0.00 C HETATM 1127 N7 DGP A 801 25.970 -0.553 -17.709 1.00 0.00 N HETATM 1128 C5 DGP A 801 24.811 -0.093 -17.097 1.00 0.00 C HETATM 1129 C6 DGP A 801 24.513 0.069 -15.722 1.00 0.00 C HETATM 1130 O6 DGP A 801 25.238 -0.165 -14.749 1.00 0.00 O HETATM 1131 N1 DGP A 801 23.227 0.564 -15.525 1.00 0.00 N HETATM 1132 C2 DGP A 801 22.343 0.857 -16.535 1.00 0.00 C HETATM 1133 N2 DGP A 801 21.145 1.315 -16.142 1.00 0.00 N HETATM 1134 N3 DGP A 801 22.607 0.711 -17.828 1.00 0.00 N HETATM 1135 C4 DGP A 801 23.854 0.233 -18.035 1.00 0.00 C HETATM 0 HO3' DGP A 801 23.552 1.719 -23.795 1.00 0.00 H new HETATM 0 HN22 DGP A 801 20.437 1.554 -16.837 1.00 0.00 H new HETATM 0 HN21 DGP A 801 20.942 1.425 -15.148 1.00 0.00 H new HETATM 0 H5'' DGP A 801 25.145 -3.082 -21.984 1.00 0.00 H new HETATM 0 H2'' DGP A 801 25.793 0.864 -21.252 1.00 0.00 H new HETATM 0 HN1 DGP A 801 22.920 0.720 -14.565 1.00 0.00 H new HETATM 0 H8 DGP A 801 26.409 -0.793 -19.756 1.00 0.00 H new HETATM 0 H5' DGP A 801 26.147 -1.681 -21.660 1.00 0.00 H new HETATM 0 H4' DGP A 801 23.583 -1.673 -23.212 1.00 0.00 H new HETATM 0 H3' DGP A 801 25.321 0.330 -23.570 1.00 0.00 H new HETATM 0 H2' DGP A 801 24.485 1.982 -21.585 1.00 0.00 H new HETATM 0 H1' DGP A 801 22.942 0.754 -20.430 1.00 0.00 H new