USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 543 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 771 THR OG1 : rot 138:sc= 0.642 USER MOD Set 1.2: A 773 HIS : no HD1:sc= 0.306 K(o=0.95,f=0.088) USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 728 SER OG : rot -120:sc= -0.146 USER MOD Single : A 731 GLN : amide:sc= -9! C(o=-9!,f=-11!) USER MOD Single : A 735 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.07) USER MOD Single : A 737 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.72) USER MOD Single : A 743 GLN : amide:sc= -1.95! C(o=-2!,f=-2.8!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -144:sc= -0.377 (180deg=-1.87!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 760 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -0.762 K(o=-0.76,f=-0.1) USER MOD Single : A 768 GLN : amide:sc= -5.58! C(o=-5.6!,f=-5.2!) USER MOD Single : A 775 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 776 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.45) USER MOD Single : A 777 GLN : amide:sc= -3.39! K(o=-3.4!,f=-1.1) USER MOD Single : A 778 MET CE :methyl 175:sc= 0 (180deg=-0.0541) USER MOD Single : A 784 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 793 HIS : no HD1:sc= -0.554 K(o=-0.55,f=0.13) USER MOD Single : A 794 SER OG : rot -17:sc= 0.873 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 724 7.552 -0.200 16.298 1.00 0.00 N ATOM 2 CA ASP A 724 6.598 0.783 15.745 1.00 0.00 C ATOM 3 C ASP A 724 7.051 1.272 14.364 1.00 0.00 C ATOM 4 O ASP A 724 6.309 1.202 13.386 1.00 0.00 O ATOM 5 CB ASP A 724 6.526 1.971 16.707 1.00 0.00 C ATOM 6 CG ASP A 724 5.637 3.082 16.237 1.00 0.00 C ATOM 7 OD1 ASP A 724 4.423 3.026 16.470 1.00 0.00 O ATOM 8 OD2 ASP A 724 6.145 4.064 15.674 1.00 0.00 O ATOM 0 HA ASP A 724 5.621 0.313 15.633 1.00 0.00 H new ATOM 0 HB2 ASP A 724 6.171 1.620 17.676 1.00 0.00 H new ATOM 0 HB3 ASP A 724 7.531 2.364 16.859 1.00 0.00 H new ATOM 12 N ILE A 725 8.281 1.730 14.298 1.00 0.00 N ATOM 13 CA ILE A 725 8.911 2.230 13.078 1.00 0.00 C ATOM 14 C ILE A 725 9.193 1.101 12.045 1.00 0.00 C ATOM 15 O ILE A 725 9.221 1.324 10.824 1.00 0.00 O ATOM 16 CB ILE A 725 10.216 2.985 13.425 1.00 0.00 C ATOM 17 CG1 ILE A 725 9.911 4.091 14.443 1.00 0.00 C ATOM 18 CG2 ILE A 725 10.818 3.587 12.167 1.00 0.00 C ATOM 19 CD1 ILE A 725 11.130 4.819 14.947 1.00 0.00 C ATOM 0 H ILE A 725 8.896 1.770 15.111 1.00 0.00 H new ATOM 0 HA ILE A 725 8.207 2.918 12.609 1.00 0.00 H new ATOM 0 HB ILE A 725 10.933 2.287 13.856 1.00 0.00 H new ATOM 0 HG12 ILE A 725 9.233 4.813 13.987 1.00 0.00 H new ATOM 0 HG13 ILE A 725 9.386 3.653 15.292 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.736 4.117 12.421 1.00 0.00 H new ATOM 0 HG22 ILE A 725 11.042 2.793 11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.108 4.284 11.722 1.00 0.00 H new ATOM 0 HD11 ILE A 725 10.827 5.584 15.662 1.00 0.00 H new ATOM 0 HD12 ILE A 725 11.801 4.112 15.435 1.00 0.00 H new ATOM 0 HD13 ILE A 725 11.645 5.289 14.109 1.00 0.00 H new ATOM 31 N SER A 726 9.326 -0.096 12.541 1.00 0.00 N ATOM 32 CA SER A 726 9.832 -1.222 11.770 1.00 0.00 C ATOM 33 C SER A 726 8.737 -1.943 11.011 1.00 0.00 C ATOM 34 O SER A 726 7.549 -1.883 11.359 1.00 0.00 O ATOM 35 CB SER A 726 10.489 -2.201 12.742 1.00 0.00 C ATOM 36 OG SER A 726 11.300 -1.504 13.685 1.00 0.00 O ATOM 0 H SER A 726 9.086 -0.332 13.504 1.00 0.00 H new ATOM 0 HA SER A 726 10.541 -0.842 11.034 1.00 0.00 H new ATOM 0 HB2 SER A 726 9.722 -2.772 13.266 1.00 0.00 H new ATOM 0 HB3 SER A 726 11.098 -2.917 12.190 1.00 0.00 H new ATOM 0 HG SER A 726 11.711 -2.146 14.300 1.00 0.00 H new ATOM 42 N GLU A 727 9.155 -2.601 9.967 1.00 0.00 N ATOM 43 CA GLU A 727 8.305 -3.291 9.076 1.00 0.00 C ATOM 44 C GLU A 727 8.228 -4.707 9.515 1.00 0.00 C ATOM 45 O GLU A 727 9.168 -5.210 10.133 1.00 0.00 O ATOM 46 CB GLU A 727 8.887 -3.307 7.660 1.00 0.00 C ATOM 47 CG GLU A 727 9.840 -2.181 7.308 1.00 0.00 C ATOM 48 CD GLU A 727 11.249 -2.509 7.715 1.00 0.00 C ATOM 49 OE1 GLU A 727 11.611 -2.284 8.876 1.00 0.00 O ATOM 50 OE2 GLU A 727 11.997 -3.047 6.887 1.00 0.00 O ATOM 0 H GLU A 727 10.141 -2.666 9.715 1.00 0.00 H new ATOM 0 HA GLU A 727 7.334 -2.795 9.074 1.00 0.00 H new ATOM 0 HB2 GLU A 727 9.409 -4.253 7.516 1.00 0.00 H new ATOM 0 HB3 GLU A 727 8.060 -3.288 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 727 9.804 -1.994 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 727 9.521 -1.264 7.803 1.00 0.00 H new ATOM 57 N SER A 728 7.121 -5.327 9.244 1.00 0.00 N ATOM 58 CA SER A 728 6.977 -6.731 9.479 1.00 0.00 C ATOM 59 C SER A 728 8.053 -7.489 8.697 1.00 0.00 C ATOM 60 O SER A 728 8.936 -8.119 9.285 1.00 0.00 O ATOM 61 CB SER A 728 5.592 -7.172 9.089 1.00 0.00 C ATOM 62 OG SER A 728 4.597 -6.445 9.801 1.00 0.00 O ATOM 0 H SER A 728 6.293 -4.876 8.855 1.00 0.00 H new ATOM 0 HA SER A 728 7.110 -6.950 10.539 1.00 0.00 H new ATOM 0 HB2 SER A 728 5.451 -7.030 8.017 1.00 0.00 H new ATOM 0 HB3 SER A 728 5.478 -8.238 9.287 1.00 0.00 H new ATOM 0 HG SER A 728 4.049 -7.067 10.324 1.00 0.00 H new ATOM 68 N LEU A 729 7.974 -7.374 7.379 1.00 0.00 N ATOM 69 CA LEU A 729 8.957 -7.901 6.460 1.00 0.00 C ATOM 70 C LEU A 729 8.548 -7.511 5.050 1.00 0.00 C ATOM 71 O LEU A 729 8.720 -6.366 4.656 1.00 0.00 O ATOM 72 CB LEU A 729 9.150 -9.431 6.572 1.00 0.00 C ATOM 73 CG LEU A 729 10.276 -10.046 5.733 1.00 0.00 C ATOM 74 CD1 LEU A 729 11.627 -9.461 6.118 1.00 0.00 C ATOM 75 CD2 LEU A 729 10.282 -11.550 5.894 1.00 0.00 C ATOM 0 H LEU A 729 7.202 -6.898 6.913 1.00 0.00 H new ATOM 0 HA LEU A 729 9.924 -7.469 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 729 9.333 -9.675 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 729 8.214 -9.914 6.291 1.00 0.00 H new ATOM 0 HG LEU A 729 10.094 -9.805 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 729 12.407 -9.915 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 729 11.617 -8.384 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 729 11.825 -9.665 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 729 11.086 -11.977 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 729 10.438 -11.803 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 729 9.326 -11.955 5.562 1.00 0.00 H new ATOM 87 N ARG A 730 7.897 -8.418 4.343 1.00 0.00 N ATOM 88 CA ARG A 730 7.496 -8.160 2.978 1.00 0.00 C ATOM 89 C ARG A 730 6.353 -7.161 2.830 1.00 0.00 C ATOM 90 O ARG A 730 6.323 -6.351 1.894 1.00 0.00 O ATOM 91 CB ARG A 730 7.242 -9.416 2.177 1.00 0.00 C ATOM 92 CG ARG A 730 6.567 -10.568 2.890 1.00 0.00 C ATOM 93 CD ARG A 730 6.333 -11.680 1.901 1.00 0.00 C ATOM 94 NE ARG A 730 5.695 -12.864 2.476 1.00 0.00 N ATOM 95 CZ ARG A 730 4.801 -13.624 1.838 1.00 0.00 C ATOM 96 NH1 ARG A 730 4.357 -13.272 0.630 1.00 0.00 N ATOM 97 NH2 ARG A 730 4.347 -14.730 2.409 1.00 0.00 N ATOM 0 H ARG A 730 7.636 -9.339 4.695 1.00 0.00 H new ATOM 0 HA ARG A 730 8.371 -7.675 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.632 -9.149 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.198 -9.771 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.189 -10.919 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.621 -10.242 3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.712 -11.304 1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 730 7.288 -11.971 1.464 1.00 0.00 H new ATOM 0 HE ARG A 730 5.950 -13.127 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 730 4.700 -12.419 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 730 3.674 -13.856 0.147 1.00 0.00 H new ATOM 0 HH21 ARG A 730 4.680 -15.000 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 730 3.664 -15.312 1.923 1.00 0.00 H new ATOM 111 N GLN A 731 5.415 -7.243 3.723 1.00 0.00 N ATOM 112 CA GLN A 731 4.274 -6.351 3.745 1.00 0.00 C ATOM 113 C GLN A 731 4.681 -5.034 4.305 1.00 0.00 C ATOM 114 O GLN A 731 4.450 -3.995 3.713 1.00 0.00 O ATOM 115 CB GLN A 731 3.164 -6.966 4.606 1.00 0.00 C ATOM 116 CG GLN A 731 2.050 -6.013 5.042 1.00 0.00 C ATOM 117 CD GLN A 731 1.344 -5.326 3.893 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.871 -4.225 4.029 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.195 -6.005 2.790 1.00 0.00 N ATOM 0 H GLN A 731 5.411 -7.937 4.471 1.00 0.00 H new ATOM 0 HA GLN A 731 3.903 -6.206 2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.714 -7.789 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.619 -7.395 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.317 -6.570 5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.472 -5.255 5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.607 -6.934 2.704 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.667 -5.607 2.013 1.00 0.00 H new ATOM 128 N GLY A 732 5.350 -5.107 5.422 1.00 0.00 N ATOM 129 CA GLY A 732 5.726 -3.914 6.132 1.00 0.00 C ATOM 130 C GLY A 732 6.700 -3.071 5.344 1.00 0.00 C ATOM 131 O GLY A 732 6.748 -1.855 5.496 1.00 0.00 O ATOM 0 H GLY A 732 5.646 -5.979 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 732 4.834 -3.327 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.173 -4.187 7.088 1.00 0.00 H new ATOM 135 N GLY A 733 7.474 -3.715 4.498 1.00 0.00 N ATOM 136 CA GLY A 733 8.472 -2.999 3.777 1.00 0.00 C ATOM 137 C GLY A 733 8.382 -3.224 2.312 1.00 0.00 C ATOM 138 O GLY A 733 9.370 -3.606 1.678 1.00 0.00 O ATOM 0 H GLY A 733 7.425 -4.715 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.373 -1.934 3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.458 -3.302 4.129 1.00 0.00 H new ATOM 142 N GLY A 734 7.219 -3.026 1.764 1.00 0.00 N ATOM 143 CA GLY A 734 7.078 -3.207 0.358 1.00 0.00 C ATOM 144 C GLY A 734 5.815 -2.615 -0.188 1.00 0.00 C ATOM 145 O GLY A 734 5.844 -1.594 -0.872 1.00 0.00 O ATOM 0 H GLY A 734 6.373 -2.745 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.932 -2.756 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.100 -4.273 0.131 1.00 0.00 H new ATOM 149 N LYS A 735 4.710 -3.233 0.139 1.00 0.00 N ATOM 150 CA LYS A 735 3.420 -2.865 -0.427 1.00 0.00 C ATOM 151 C LYS A 735 2.321 -3.216 0.553 1.00 0.00 C ATOM 152 O LYS A 735 2.565 -3.999 1.438 1.00 0.00 O ATOM 153 CB LYS A 735 3.199 -3.607 -1.765 1.00 0.00 C ATOM 154 CG LYS A 735 2.771 -5.114 -1.707 1.00 0.00 C ATOM 155 CD LYS A 735 3.749 -6.034 -0.951 1.00 0.00 C ATOM 156 CE LYS A 735 5.113 -6.098 -1.621 1.00 0.00 C ATOM 157 NZ LYS A 735 6.077 -6.938 -0.871 1.00 0.00 N ATOM 0 H LYS A 735 4.669 -4.006 0.804 1.00 0.00 H new ATOM 0 HA LYS A 735 3.401 -1.792 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.438 -3.065 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.124 -3.544 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.791 -5.181 -1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.659 -5.485 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 735 3.865 -5.676 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.328 -7.038 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 735 5.000 -6.494 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.514 -5.089 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.029 -6.815 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 6.081 -6.653 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.798 -7.937 -0.945 1.00 0.00 H new ATOM 171 N LEU A 736 1.113 -2.681 0.374 1.00 0.00 N ATOM 172 CA LEU A 736 0.008 -3.003 1.314 1.00 0.00 C ATOM 173 C LEU A 736 -1.131 -3.606 0.554 1.00 0.00 C ATOM 174 O LEU A 736 -1.619 -3.021 -0.419 1.00 0.00 O ATOM 175 CB LEU A 736 -0.568 -1.790 2.008 1.00 0.00 C ATOM 176 CG LEU A 736 0.373 -0.704 2.471 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.419 0.535 2.796 1.00 0.00 C ATOM 178 CD2 LEU A 736 1.135 -1.152 3.686 1.00 0.00 C ATOM 0 H LEU A 736 0.866 -2.043 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 736 0.442 -3.674 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.291 -1.334 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -1.123 -2.140 2.879 1.00 0.00 H new ATOM 0 HG LEU A 736 1.085 -0.488 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 736 0.257 1.322 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.953 0.870 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -1.136 0.312 3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 736 1.809 -0.357 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.436 -1.381 4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 736 1.714 -2.043 3.444 1.00 0.00 H new ATOM 190 N ASN A 737 -1.622 -4.718 0.992 1.00 0.00 N ATOM 191 CA ASN A 737 -2.718 -5.383 0.262 1.00 0.00 C ATOM 192 C ASN A 737 -3.702 -5.828 1.270 1.00 0.00 C ATOM 193 O ASN A 737 -3.338 -6.005 2.205 1.00 0.00 O ATOM 194 CB ASN A 737 -2.262 -6.609 -0.599 1.00 0.00 C ATOM 195 CG ASN A 737 -1.018 -6.439 -1.499 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.322 -7.398 -1.765 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.712 -5.267 -1.931 1.00 0.00 N ATOM 0 H ASN A 737 -1.307 -5.200 1.834 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.134 -4.667 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.073 -7.441 0.079 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.098 -6.900 -1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.122 -5.136 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -1.304 -4.468 -1.702 1.00 0.00 H new ATOM 204 N PHE A 738 -4.967 -5.892 1.041 1.00 0.00 N ATOM 205 CA PHE A 738 -5.921 -6.417 2.066 1.00 0.00 C ATOM 206 C PHE A 738 -5.372 -7.724 2.674 1.00 0.00 C ATOM 207 O PHE A 738 -4.963 -7.730 3.830 1.00 0.00 O ATOM 208 CB PHE A 738 -7.267 -6.648 1.405 1.00 0.00 C ATOM 209 CG PHE A 738 -8.301 -7.244 2.290 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.734 -6.564 3.390 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.821 -8.484 2.028 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.676 -7.102 4.227 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.766 -9.037 2.855 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.194 -8.344 3.961 1.00 0.00 C ATOM 0 H PHE A 738 -5.404 -5.598 0.168 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.040 -5.696 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.638 -5.696 1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.126 -7.301 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.328 -5.586 3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.483 -9.032 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.010 -6.550 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.172 -10.014 2.637 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.935 -8.775 4.618 1.00 0.00 H new ATOM 224 N ASP A 739 -5.224 -8.750 1.850 1.00 0.00 N ATOM 225 CA ASP A 739 -4.700 -10.057 2.295 1.00 0.00 C ATOM 226 C ASP A 739 -3.225 -10.012 2.696 1.00 0.00 C ATOM 227 O ASP A 739 -2.781 -10.798 3.515 1.00 0.00 O ATOM 228 CB ASP A 739 -4.918 -11.135 1.233 1.00 0.00 C ATOM 229 CG ASP A 739 -6.280 -11.782 1.311 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.292 -11.120 1.024 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.360 -12.970 1.704 1.00 0.00 O ATOM 0 H ASP A 739 -5.459 -8.713 0.858 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.269 -10.312 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -4.789 -10.693 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.152 -11.903 1.342 1.00 0.00 H new ATOM 236 N GLU A 740 -2.474 -9.084 2.145 1.00 0.00 N ATOM 237 CA GLU A 740 -1.046 -8.981 2.483 1.00 0.00 C ATOM 238 C GLU A 740 -0.863 -8.024 3.666 1.00 0.00 C ATOM 239 O GLU A 740 -0.009 -8.224 4.509 1.00 0.00 O ATOM 240 CB GLU A 740 -0.237 -8.505 1.269 1.00 0.00 C ATOM 241 CG GLU A 740 1.237 -8.890 1.267 1.00 0.00 C ATOM 242 CD GLU A 740 1.463 -10.329 0.871 1.00 0.00 C ATOM 243 OE1 GLU A 740 1.144 -11.229 1.640 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.967 -10.557 -0.250 1.00 0.00 O ATOM 0 H GLU A 740 -2.808 -8.395 1.471 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.677 -9.966 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.700 -8.906 0.367 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.310 -7.419 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.777 -8.239 0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.654 -8.721 2.260 1.00 0.00 H new ATOM 251 N LEU A 741 -1.700 -6.986 3.733 1.00 0.00 N ATOM 252 CA LEU A 741 -1.678 -5.984 4.806 1.00 0.00 C ATOM 253 C LEU A 741 -1.871 -6.660 6.115 1.00 0.00 C ATOM 254 O LEU A 741 -1.425 -6.188 7.127 1.00 0.00 O ATOM 255 CB LEU A 741 -2.809 -4.967 4.661 1.00 0.00 C ATOM 256 CG LEU A 741 -2.947 -3.997 5.795 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.112 -2.746 5.591 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.359 -3.697 6.028 1.00 0.00 C ATOM 0 H LEU A 741 -2.423 -6.814 3.034 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.718 -5.472 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.654 -4.405 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.749 -5.507 4.550 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.549 -4.467 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.247 -2.076 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.060 -3.020 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.428 -2.243 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.450 -2.991 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.791 -3.260 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.890 -4.616 6.276 1.00 0.00 H new ATOM 270 N ARG A 742 -2.568 -7.797 6.075 1.00 0.00 N ATOM 271 CA ARG A 742 -2.789 -8.593 7.241 1.00 0.00 C ATOM 272 C ARG A 742 -1.473 -8.959 7.789 1.00 0.00 C ATOM 273 O ARG A 742 -1.336 -8.932 8.852 1.00 0.00 O ATOM 274 CB ARG A 742 -3.524 -9.890 6.987 1.00 0.00 C ATOM 275 CG ARG A 742 -4.529 -9.897 5.889 1.00 0.00 C ATOM 276 CD ARG A 742 -5.841 -9.223 6.204 1.00 0.00 C ATOM 277 NE ARG A 742 -6.909 -9.732 5.316 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.132 -11.045 4.976 1.00 0.00 C ATOM 279 NH1 ARG A 742 -6.614 -12.051 5.678 1.00 0.00 N ATOM 280 NH2 ARG A 742 -7.921 -11.325 3.968 1.00 0.00 N ATOM 0 H ARG A 742 -2.987 -8.175 5.225 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.405 -7.992 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.784 -10.662 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.029 -10.179 7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.091 -9.411 5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.730 -10.932 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.109 -9.403 7.245 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.741 -8.144 6.082 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.543 -9.040 4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.033 -11.858 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -6.798 -13.015 5.400 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.364 -10.571 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -8.092 -12.297 3.709 1.00 0.00 H new ATOM 294 N GLN A 743 -0.479 -9.199 6.984 1.00 0.00 N ATOM 295 CA GLN A 743 0.851 -9.567 7.476 1.00 0.00 C ATOM 296 C GLN A 743 1.326 -8.535 8.482 1.00 0.00 C ATOM 297 O GLN A 743 2.010 -8.839 9.452 1.00 0.00 O ATOM 298 CB GLN A 743 1.816 -9.660 6.338 1.00 0.00 C ATOM 299 CG GLN A 743 2.699 -10.906 6.372 1.00 0.00 C ATOM 300 CD GLN A 743 2.966 -11.446 4.998 1.00 0.00 C ATOM 301 OE1 GLN A 743 4.018 -12.003 4.730 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.988 -11.344 4.156 1.00 0.00 N ATOM 0 H GLN A 743 -0.550 -9.150 5.968 1.00 0.00 H new ATOM 0 HA GLN A 743 0.794 -10.541 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.259 -9.647 5.401 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.453 -8.776 6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.645 -10.666 6.857 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.217 -11.675 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 743 1.128 -10.868 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 743 2.078 -11.739 3.220 1.00 0.00 H new ATOM 311 N ASP A 744 0.863 -7.328 8.262 1.00 0.00 N ATOM 312 CA ASP A 744 1.135 -6.224 9.158 1.00 0.00 C ATOM 313 C ASP A 744 0.213 -6.304 10.372 1.00 0.00 C ATOM 314 O ASP A 744 0.661 -6.265 11.521 1.00 0.00 O ATOM 315 CB ASP A 744 0.924 -4.883 8.493 1.00 0.00 C ATOM 316 CG ASP A 744 1.958 -3.863 8.930 1.00 0.00 C ATOM 317 OD1 ASP A 744 1.746 -3.169 9.960 1.00 0.00 O ATOM 318 OD2 ASP A 744 2.992 -3.730 8.264 1.00 0.00 O ATOM 0 H ASP A 744 0.287 -7.081 7.457 1.00 0.00 H new ATOM 0 HA ASP A 744 2.181 -6.305 9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 744 0.969 -5.004 7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -0.073 -4.513 8.731 1.00 0.00 H new ATOM 323 N LEU A 745 -1.077 -6.436 10.098 1.00 0.00 N ATOM 324 CA LEU A 745 -2.114 -6.467 11.112 1.00 0.00 C ATOM 325 C LEU A 745 -2.873 -7.804 11.217 1.00 0.00 C ATOM 326 O LEU A 745 -4.100 -7.821 11.348 1.00 0.00 O ATOM 327 CB LEU A 745 -3.048 -5.272 10.925 1.00 0.00 C ATOM 328 CG LEU A 745 -3.383 -4.849 9.496 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.323 -5.836 8.848 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.983 -3.474 9.531 1.00 0.00 C ATOM 0 H LEU A 745 -1.436 -6.526 9.147 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.615 -6.385 12.078 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -3.984 -5.495 11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.603 -4.416 11.432 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.473 -4.832 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.546 -5.512 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.855 -6.820 8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.247 -5.889 9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.228 -3.158 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.890 -3.488 10.136 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -3.268 -2.776 9.966 1.00 0.00 H new ATOM 342 N LYS A 746 -2.140 -8.906 11.159 1.00 0.00 N ATOM 343 CA LYS A 746 -2.739 -10.240 11.221 1.00 0.00 C ATOM 344 C LYS A 746 -3.526 -10.442 12.519 1.00 0.00 C ATOM 345 O LYS A 746 -2.984 -10.308 13.628 1.00 0.00 O ATOM 346 CB LYS A 746 -1.702 -11.399 11.055 1.00 0.00 C ATOM 347 CG LYS A 746 -1.104 -11.606 9.670 1.00 0.00 C ATOM 348 CD LYS A 746 -0.591 -13.024 9.498 1.00 0.00 C ATOM 349 CE LYS A 746 -0.118 -13.270 8.079 1.00 0.00 C ATOM 350 NZ LYS A 746 0.434 -14.624 7.900 1.00 0.00 N ATOM 0 H LYS A 746 -1.124 -8.907 11.069 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.419 -10.287 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -0.884 -11.222 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.184 -12.329 11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.857 -11.395 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.288 -10.900 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.229 -13.203 10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.381 -13.732 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -0.951 -13.126 7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.642 -12.533 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.744 -14.745 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 1.246 -14.755 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.297 -15.329 8.122 1.00 0.00 H new ATOM 364 N GLY A 747 -4.782 -10.758 12.382 1.00 0.00 N ATOM 365 CA GLY A 747 -5.632 -10.938 13.520 1.00 0.00 C ATOM 366 C GLY A 747 -6.268 -9.615 13.920 1.00 0.00 C ATOM 367 O GLY A 747 -5.637 -8.813 14.599 1.00 0.00 O ATOM 0 H GLY A 747 -5.242 -10.897 11.482 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.409 -11.668 13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.055 -11.338 14.354 1.00 0.00 H new ATOM 371 N LYS A 748 -7.498 -9.382 13.487 1.00 0.00 N ATOM 372 CA LYS A 748 -8.173 -8.100 13.737 1.00 0.00 C ATOM 373 C LYS A 748 -9.689 -8.206 13.532 1.00 0.00 C ATOM 374 O LYS A 748 -10.466 -7.707 14.340 1.00 0.00 O ATOM 375 CB LYS A 748 -7.588 -6.935 12.848 1.00 0.00 C ATOM 376 CG LYS A 748 -7.949 -6.999 11.346 1.00 0.00 C ATOM 377 CD LYS A 748 -7.351 -8.253 10.693 1.00 0.00 C ATOM 378 CE LYS A 748 -8.222 -8.780 9.586 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.750 -10.075 9.035 1.00 0.00 N ATOM 0 H LYS A 748 -8.055 -10.056 12.962 1.00 0.00 H new ATOM 0 HA LYS A 748 -7.982 -7.856 14.782 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -7.940 -5.984 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.502 -6.939 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.033 -7.004 11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.577 -6.108 10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.363 -8.020 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.217 -9.027 11.449 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.239 -8.901 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.262 -8.044 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -7.927 -10.101 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.731 -10.177 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -8.262 -10.855 9.495 1.00 0.00 H new ATOM 393 N GLY A 749 -10.099 -8.914 12.503 1.00 0.00 N ATOM 394 CA GLY A 749 -11.486 -8.913 12.130 1.00 0.00 C ATOM 395 C GLY A 749 -12.085 -10.291 12.131 1.00 0.00 C ATOM 396 O GLY A 749 -11.387 -11.267 12.385 1.00 0.00 O ATOM 0 H GLY A 749 -9.495 -9.491 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.043 -8.278 12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.591 -8.476 11.137 1.00 0.00 H new ATOM 400 N HIS A 750 -13.356 -10.372 11.844 1.00 0.00 N ATOM 401 CA HIS A 750 -14.047 -11.642 11.780 1.00 0.00 C ATOM 402 C HIS A 750 -14.063 -12.185 10.374 1.00 0.00 C ATOM 403 O HIS A 750 -13.329 -13.127 10.056 1.00 0.00 O ATOM 404 CB HIS A 750 -15.466 -11.571 12.357 1.00 0.00 C ATOM 405 CG HIS A 750 -15.513 -11.474 13.850 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.797 -10.313 14.524 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.345 -12.420 14.796 1.00 0.00 C ATOM 408 CE1 HIS A 750 -15.801 -10.552 15.826 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.532 -11.822 16.014 1.00 0.00 N ATOM 0 H HIS A 750 -13.946 -9.563 11.647 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.485 -12.333 12.408 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.977 -10.708 11.931 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.019 -12.456 12.043 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.107 -13.459 14.625 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.993 -9.825 16.601 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -15.472 -12.288 16.919 1.00 0.00 H new ATOM 417 N THR A 751 -14.859 -11.595 9.524 1.00 0.00 N ATOM 418 CA THR A 751 -14.970 -12.069 8.174 1.00 0.00 C ATOM 419 C THR A 751 -14.291 -11.054 7.255 1.00 0.00 C ATOM 420 O THR A 751 -14.366 -9.845 7.511 1.00 0.00 O ATOM 421 CB THR A 751 -16.470 -12.185 7.817 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.238 -12.238 9.037 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.755 -13.462 7.048 1.00 0.00 C ATOM 0 H THR A 751 -15.440 -10.786 9.743 1.00 0.00 H new ATOM 0 HA THR A 751 -14.495 -13.043 8.059 1.00 0.00 H new ATOM 0 HB THR A 751 -16.738 -11.323 7.206 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.462 -11.328 9.322 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.818 -13.515 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 751 -16.177 -13.467 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.475 -14.323 7.656 1.00 0.00 H new ATOM 431 N ASP A 752 -13.666 -11.544 6.185 1.00 0.00 N ATOM 432 CA ASP A 752 -12.918 -10.709 5.214 1.00 0.00 C ATOM 433 C ASP A 752 -13.797 -9.616 4.651 1.00 0.00 C ATOM 434 O ASP A 752 -13.348 -8.509 4.450 1.00 0.00 O ATOM 435 CB ASP A 752 -12.366 -11.580 4.067 1.00 0.00 C ATOM 436 CG ASP A 752 -11.450 -12.676 4.562 1.00 0.00 C ATOM 437 OD1 ASP A 752 -10.277 -12.414 4.811 1.00 0.00 O ATOM 438 OD2 ASP A 752 -11.910 -13.827 4.740 1.00 0.00 O ATOM 0 H ASP A 752 -13.658 -12.538 5.956 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.085 -10.246 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.197 -12.025 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.824 -10.948 3.364 1.00 0.00 H new ATOM 443 N ALA A 753 -15.074 -9.924 4.470 1.00 0.00 N ATOM 444 CA ALA A 753 -16.055 -8.977 3.934 1.00 0.00 C ATOM 445 C ALA A 753 -16.207 -7.762 4.808 1.00 0.00 C ATOM 446 O ALA A 753 -16.296 -6.661 4.320 1.00 0.00 O ATOM 447 CB ALA A 753 -17.388 -9.632 3.685 1.00 0.00 C ATOM 0 H ALA A 753 -15.465 -10.840 4.690 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.666 -8.640 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -18.087 -8.896 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.267 -10.442 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.777 -10.033 4.621 1.00 0.00 H new ATOM 453 N GLU A 754 -16.255 -7.980 6.091 1.00 0.00 N ATOM 454 CA GLU A 754 -16.382 -6.911 7.054 1.00 0.00 C ATOM 455 C GLU A 754 -15.188 -5.997 7.043 1.00 0.00 C ATOM 456 O GLU A 754 -15.332 -4.789 7.091 1.00 0.00 O ATOM 457 CB GLU A 754 -16.561 -7.487 8.436 1.00 0.00 C ATOM 458 CG GLU A 754 -17.967 -7.915 8.746 1.00 0.00 C ATOM 459 CD GLU A 754 -18.066 -8.676 10.029 1.00 0.00 C ATOM 460 OE1 GLU A 754 -18.236 -8.055 11.099 1.00 0.00 O ATOM 461 OE2 GLU A 754 -18.000 -9.926 9.983 1.00 0.00 O ATOM 0 H GLU A 754 -16.207 -8.910 6.507 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.256 -6.322 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.898 -8.345 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.249 -6.745 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.607 -7.035 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.343 -8.533 7.931 1.00 0.00 H new ATOM 468 N ILE A 755 -14.037 -6.571 6.957 1.00 0.00 N ATOM 469 CA ILE A 755 -12.794 -5.825 7.006 1.00 0.00 C ATOM 470 C ILE A 755 -12.514 -5.155 5.655 1.00 0.00 C ATOM 471 O ILE A 755 -12.048 -4.020 5.595 1.00 0.00 O ATOM 472 CB ILE A 755 -11.666 -6.779 7.336 1.00 0.00 C ATOM 473 CG1 ILE A 755 -12.050 -7.593 8.563 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.401 -5.981 7.611 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.439 -8.956 8.578 1.00 0.00 C ATOM 0 H ILE A 755 -13.915 -7.578 6.850 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.872 -5.050 7.769 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.486 -7.454 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.743 -7.054 9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -13.135 -7.688 8.604 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.585 -6.663 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.140 -5.397 6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.570 -5.310 8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.752 -9.485 9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.766 -9.511 7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.353 -8.868 8.568 1.00 0.00 H new ATOM 487 N GLU A 756 -12.835 -5.853 4.590 1.00 0.00 N ATOM 488 CA GLU A 756 -12.618 -5.370 3.238 1.00 0.00 C ATOM 489 C GLU A 756 -13.455 -4.100 2.984 1.00 0.00 C ATOM 490 O GLU A 756 -13.026 -3.198 2.317 1.00 0.00 O ATOM 491 CB GLU A 756 -12.954 -6.426 2.191 1.00 0.00 C ATOM 492 CG GLU A 756 -12.510 -6.041 0.770 1.00 0.00 C ATOM 493 CD GLU A 756 -13.074 -6.934 -0.299 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.245 -6.759 -0.672 1.00 0.00 O ATOM 495 OE2 GLU A 756 -12.363 -7.829 -0.799 1.00 0.00 O ATOM 0 H GLU A 756 -13.258 -6.780 4.634 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.558 -5.136 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.479 -7.367 2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -14.030 -6.599 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.812 -5.013 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.422 -6.069 0.718 1.00 0.00 H new ATOM 502 N ALA A 757 -14.692 -4.132 3.406 1.00 0.00 N ATOM 503 CA ALA A 757 -15.600 -2.992 3.287 1.00 0.00 C ATOM 504 C ALA A 757 -15.206 -1.843 4.227 1.00 0.00 C ATOM 505 O ALA A 757 -15.084 -0.674 3.788 1.00 0.00 O ATOM 506 CB ALA A 757 -17.022 -3.421 3.594 1.00 0.00 C ATOM 0 H ALA A 757 -15.113 -4.950 3.847 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.531 -2.632 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.689 -2.564 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.328 -4.196 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.073 -3.813 4.610 1.00 0.00 H new ATOM 512 N ILE A 758 -14.970 -2.177 5.503 1.00 0.00 N ATOM 513 CA ILE A 758 -14.704 -1.174 6.536 1.00 0.00 C ATOM 514 C ILE A 758 -13.515 -0.309 6.150 1.00 0.00 C ATOM 515 O ILE A 758 -13.596 0.923 6.206 1.00 0.00 O ATOM 516 CB ILE A 758 -14.512 -1.824 7.969 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.507 -0.788 9.114 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.255 -2.663 8.049 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.168 -0.113 9.382 1.00 0.00 C ATOM 0 H ILE A 758 -14.959 -3.139 5.843 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.583 -0.533 6.604 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.382 -2.467 8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.243 -0.017 8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.835 -1.282 10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.164 -3.088 9.048 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.307 -3.468 7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.387 -2.038 7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.275 0.595 10.204 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.427 -0.867 9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.842 0.417 8.487 1.00 0.00 H new ATOM 531 N PHE A 759 -12.441 -0.949 5.672 1.00 0.00 N ATOM 532 CA PHE A 759 -11.244 -0.229 5.340 1.00 0.00 C ATOM 533 C PHE A 759 -11.486 0.709 4.143 1.00 0.00 C ATOM 534 O PHE A 759 -10.953 1.765 4.071 1.00 0.00 O ATOM 535 CB PHE A 759 -10.051 -1.213 5.062 1.00 0.00 C ATOM 536 CG PHE A 759 -9.930 -1.788 3.627 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.611 -0.974 2.535 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.129 -3.122 3.385 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.520 -1.487 1.271 1.00 0.00 C ATOM 540 CE2 PHE A 759 -10.023 -3.637 2.101 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.728 -2.819 1.053 1.00 0.00 C ATOM 0 H PHE A 759 -12.393 -1.956 5.514 1.00 0.00 H new ATOM 0 HA PHE A 759 -10.969 0.386 6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.122 -0.694 5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.134 -2.050 5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.433 0.079 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.372 -3.782 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.283 -0.837 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.175 -4.693 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.659 -3.222 0.053 1.00 0.00 H new ATOM 551 N THR A 760 -12.347 0.332 3.263 1.00 0.00 N ATOM 552 CA THR A 760 -12.573 1.087 2.058 1.00 0.00 C ATOM 553 C THR A 760 -13.020 2.508 2.423 1.00 0.00 C ATOM 554 O THR A 760 -12.599 3.498 1.816 1.00 0.00 O ATOM 555 CB THR A 760 -13.614 0.371 1.181 1.00 0.00 C ATOM 556 OG1 THR A 760 -13.092 -0.914 0.782 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.948 1.173 -0.053 1.00 0.00 C ATOM 0 H THR A 760 -12.920 -0.508 3.349 1.00 0.00 H new ATOM 0 HA THR A 760 -11.649 1.159 1.484 1.00 0.00 H new ATOM 0 HB THR A 760 -14.526 0.252 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.191 -1.551 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.686 0.635 -0.648 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.354 2.141 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 760 -13.045 1.323 -0.645 1.00 0.00 H new ATOM 565 N LYS A 761 -13.800 2.589 3.472 1.00 0.00 N ATOM 566 CA LYS A 761 -14.274 3.866 3.925 1.00 0.00 C ATOM 567 C LYS A 761 -13.372 4.456 5.039 1.00 0.00 C ATOM 568 O LYS A 761 -13.008 5.632 4.991 1.00 0.00 O ATOM 569 CB LYS A 761 -15.726 3.756 4.355 1.00 0.00 C ATOM 570 CG LYS A 761 -16.514 5.075 4.293 1.00 0.00 C ATOM 571 CD LYS A 761 -18.011 4.832 4.382 1.00 0.00 C ATOM 572 CE LYS A 761 -18.418 4.148 5.678 1.00 0.00 C ATOM 573 NZ LYS A 761 -19.869 3.892 5.717 1.00 0.00 N ATOM 0 H LYS A 761 -14.116 1.791 4.022 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.220 4.570 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.224 3.021 3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.761 3.375 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -16.201 5.726 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.283 5.595 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.535 5.784 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.326 4.219 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -17.878 3.207 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -18.134 4.772 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -20.115 3.425 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -20.383 4.793 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -20.134 3.277 4.922 1.00 0.00 H new ATOM 587 N TYR A 762 -12.967 3.633 6.005 1.00 0.00 N ATOM 588 CA TYR A 762 -12.209 4.129 7.163 1.00 0.00 C ATOM 589 C TYR A 762 -10.677 4.048 7.015 1.00 0.00 C ATOM 590 O TYR A 762 -9.965 4.797 7.685 1.00 0.00 O ATOM 591 CB TYR A 762 -12.603 3.385 8.436 1.00 0.00 C ATOM 592 CG TYR A 762 -13.949 3.693 9.052 1.00 0.00 C ATOM 593 CD1 TYR A 762 -14.060 4.687 9.991 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.083 2.941 8.754 1.00 0.00 C ATOM 595 CE1 TYR A 762 -15.259 4.938 10.637 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.292 3.191 9.385 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.371 4.181 10.327 1.00 0.00 C ATOM 598 OH TYR A 762 -17.573 4.411 10.967 1.00 0.00 O ATOM 0 H TYR A 762 -13.146 2.629 6.014 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.474 5.185 7.223 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.571 2.317 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.839 3.582 9.188 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -13.194 5.286 10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.020 2.151 8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -15.324 5.721 11.378 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.166 2.608 9.135 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.249 3.789 10.626 1.00 0.00 H new ATOM 608 N ASP A 763 -10.176 3.157 6.179 1.00 0.00 N ATOM 609 CA ASP A 763 -8.717 2.989 6.008 1.00 0.00 C ATOM 610 C ASP A 763 -8.087 4.231 5.441 1.00 0.00 C ATOM 611 O ASP A 763 -8.752 5.000 4.726 1.00 0.00 O ATOM 612 CB ASP A 763 -8.369 1.832 5.079 1.00 0.00 C ATOM 613 CG ASP A 763 -6.886 1.550 5.070 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.320 1.199 6.121 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.249 1.806 4.025 1.00 0.00 O ATOM 0 H ASP A 763 -10.743 2.534 5.603 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.328 2.782 7.005 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.908 0.938 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.701 2.065 4.067 1.00 0.00 H new ATOM 620 N GLN A 764 -6.810 4.406 5.734 1.00 0.00 N ATOM 621 CA GLN A 764 -6.033 5.537 5.278 1.00 0.00 C ATOM 622 C GLN A 764 -6.060 5.686 3.766 1.00 0.00 C ATOM 623 O GLN A 764 -6.253 6.791 3.254 1.00 0.00 O ATOM 624 CB GLN A 764 -4.602 5.450 5.801 1.00 0.00 C ATOM 625 CG GLN A 764 -4.547 5.393 7.316 1.00 0.00 C ATOM 626 CD GLN A 764 -5.151 6.629 7.985 1.00 0.00 C ATOM 627 OE1 GLN A 764 -5.745 6.542 9.062 1.00 0.00 O ATOM 628 NE2 GLN A 764 -4.970 7.779 7.391 1.00 0.00 N ATOM 0 H GLN A 764 -6.277 3.751 6.307 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.497 6.435 5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.120 4.564 5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.036 6.313 5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -5.078 4.505 7.660 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -3.509 5.286 7.632 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -4.475 7.821 6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -5.324 8.635 7.818 1.00 0.00 H new ATOM 637 N ASP A 765 -5.881 4.601 3.038 1.00 0.00 N ATOM 638 CA ASP A 765 -5.938 4.725 1.597 1.00 0.00 C ATOM 639 C ASP A 765 -7.178 4.106 0.987 1.00 0.00 C ATOM 640 O ASP A 765 -7.483 4.372 -0.171 1.00 0.00 O ATOM 641 CB ASP A 765 -4.652 4.209 0.922 1.00 0.00 C ATOM 642 CG ASP A 765 -3.519 5.229 0.902 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.505 6.088 0.000 1.00 0.00 O ATOM 644 OD2 ASP A 765 -2.607 5.167 1.756 1.00 0.00 O ATOM 0 H ASP A 765 -5.703 3.664 3.400 1.00 0.00 H new ATOM 0 HA ASP A 765 -6.009 5.794 1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -4.313 3.313 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.882 3.915 -0.102 1.00 0.00 H new ATOM 649 N GLY A 766 -7.962 3.356 1.783 1.00 0.00 N ATOM 650 CA GLY A 766 -9.201 2.721 1.267 1.00 0.00 C ATOM 651 C GLY A 766 -8.960 1.814 0.062 1.00 0.00 C ATOM 652 O GLY A 766 -9.900 1.424 -0.630 1.00 0.00 O ATOM 0 H GLY A 766 -7.770 3.174 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.661 2.138 2.065 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.912 3.500 0.990 1.00 0.00 H new ATOM 656 N ASP A 767 -7.713 1.490 -0.173 1.00 0.00 N ATOM 657 CA ASP A 767 -7.312 0.689 -1.308 1.00 0.00 C ATOM 658 C ASP A 767 -7.026 -0.701 -0.863 1.00 0.00 C ATOM 659 O ASP A 767 -7.714 -1.625 -1.264 1.00 0.00 O ATOM 660 CB ASP A 767 -6.080 1.279 -1.993 1.00 0.00 C ATOM 661 CG ASP A 767 -6.391 2.252 -3.101 1.00 0.00 C ATOM 662 OD1 ASP A 767 -7.093 1.882 -4.072 1.00 0.00 O ATOM 663 OD2 ASP A 767 -5.885 3.380 -3.059 1.00 0.00 O ATOM 0 H ASP A 767 -6.937 1.777 0.424 1.00 0.00 H new ATOM 0 HA ASP A 767 -8.130 0.683 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.469 1.783 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.480 0.465 -2.399 1.00 0.00 H new ATOM 668 N GLN A 768 -5.990 -0.815 -0.011 1.00 0.00 N ATOM 669 CA GLN A 768 -5.563 -2.052 0.657 1.00 0.00 C ATOM 670 C GLN A 768 -5.630 -3.263 -0.280 1.00 0.00 C ATOM 671 O GLN A 768 -6.595 -4.020 -0.248 1.00 0.00 O ATOM 672 CB GLN A 768 -6.438 -2.249 1.897 1.00 0.00 C ATOM 673 CG GLN A 768 -5.735 -2.642 3.130 1.00 0.00 C ATOM 674 CD GLN A 768 -6.691 -2.647 4.310 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.866 -1.647 4.976 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.284 -3.778 4.598 1.00 0.00 N ATOM 0 H GLN A 768 -5.407 -0.016 0.238 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.517 -1.963 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.975 -1.320 2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.186 -3.009 1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.297 -3.632 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.914 -1.952 3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.118 -4.602 4.021 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.912 -3.835 5.400 1.00 0.00 H new ATOM 685 N GLU A 769 -4.569 -3.440 -1.081 1.00 0.00 N ATOM 686 CA GLU A 769 -4.429 -4.523 -2.121 1.00 0.00 C ATOM 687 C GLU A 769 -3.434 -4.069 -3.214 1.00 0.00 C ATOM 688 O GLU A 769 -3.355 -4.682 -4.261 1.00 0.00 O ATOM 689 CB GLU A 769 -5.763 -4.937 -2.843 1.00 0.00 C ATOM 690 CG GLU A 769 -6.376 -3.882 -3.792 1.00 0.00 C ATOM 691 CD GLU A 769 -7.424 -4.437 -4.693 1.00 0.00 C ATOM 692 OE1 GLU A 769 -8.581 -4.562 -4.270 1.00 0.00 O ATOM 693 OE2 GLU A 769 -7.118 -4.732 -5.870 1.00 0.00 O ATOM 0 H GLU A 769 -3.753 -2.830 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.082 -5.395 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.576 -5.846 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.503 -5.185 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.807 -3.076 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.582 -3.443 -4.397 1.00 0.00 H new ATOM 700 N LEU A 770 -2.614 -3.062 -2.934 1.00 0.00 N ATOM 701 CA LEU A 770 -1.799 -2.457 -3.993 1.00 0.00 C ATOM 702 C LEU A 770 -0.322 -2.797 -3.821 1.00 0.00 C ATOM 703 O LEU A 770 0.227 -2.622 -2.729 1.00 0.00 O ATOM 704 CB LEU A 770 -2.002 -0.914 -4.062 1.00 0.00 C ATOM 705 CG LEU A 770 -3.223 -0.337 -4.817 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.540 -0.783 -4.217 1.00 0.00 C ATOM 707 CD2 LEU A 770 -3.147 1.181 -4.865 1.00 0.00 C ATOM 0 H LEU A 770 -2.493 -2.652 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 770 -2.137 -2.882 -4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -2.048 -0.545 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -1.107 -0.487 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.187 -0.731 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.364 -0.350 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.607 -1.870 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.599 -0.450 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -4.013 1.572 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -3.138 1.577 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -2.236 1.484 -5.381 1.00 0.00 H new ATOM 719 N THR A 771 0.314 -3.307 -4.872 1.00 0.00 N ATOM 720 CA THR A 771 1.688 -3.687 -4.792 1.00 0.00 C ATOM 721 C THR A 771 2.612 -2.491 -5.045 1.00 0.00 C ATOM 722 O THR A 771 2.167 -1.434 -5.515 1.00 0.00 O ATOM 723 CB THR A 771 2.047 -4.868 -5.759 1.00 0.00 C ATOM 724 OG1 THR A 771 2.773 -4.411 -6.888 1.00 0.00 O ATOM 725 CG2 THR A 771 0.816 -5.578 -6.272 1.00 0.00 C ATOM 0 H THR A 771 -0.117 -3.460 -5.784 1.00 0.00 H new ATOM 0 HA THR A 771 1.846 -4.043 -3.774 1.00 0.00 H new ATOM 0 HB THR A 771 2.652 -5.557 -5.169 1.00 0.00 H new ATOM 0 HG1 THR A 771 3.502 -5.036 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.114 -6.388 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.255 -5.987 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.190 -4.872 -6.817 1.00 0.00 H new ATOM 733 N GLU A 772 3.896 -2.675 -4.728 1.00 0.00 N ATOM 734 CA GLU A 772 4.938 -1.683 -4.904 1.00 0.00 C ATOM 735 C GLU A 772 5.012 -1.283 -6.370 1.00 0.00 C ATOM 736 O GLU A 772 5.289 -0.146 -6.683 1.00 0.00 O ATOM 737 CB GLU A 772 6.272 -2.258 -4.430 1.00 0.00 C ATOM 738 CG GLU A 772 7.333 -1.229 -4.085 1.00 0.00 C ATOM 739 CD GLU A 772 8.662 -1.871 -3.800 1.00 0.00 C ATOM 740 OE1 GLU A 772 8.834 -2.481 -2.728 1.00 0.00 O ATOM 741 OE2 GLU A 772 9.564 -1.782 -4.650 1.00 0.00 O ATOM 0 H GLU A 772 4.241 -3.549 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 772 4.713 -0.796 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.091 -2.878 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.664 -2.914 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 772 7.439 -0.525 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 772 7.013 -0.655 -3.216 1.00 0.00 H new ATOM 748 N HIS A 773 4.716 -2.242 -7.257 1.00 0.00 N ATOM 749 CA HIS A 773 4.732 -2.007 -8.698 1.00 0.00 C ATOM 750 C HIS A 773 3.646 -1.010 -9.065 1.00 0.00 C ATOM 751 O HIS A 773 3.878 -0.077 -9.821 1.00 0.00 O ATOM 752 CB HIS A 773 4.512 -3.322 -9.475 1.00 0.00 C ATOM 753 CG HIS A 773 5.512 -4.395 -9.179 1.00 0.00 C ATOM 754 ND1 HIS A 773 5.208 -5.529 -8.449 1.00 0.00 N ATOM 755 CD2 HIS A 773 6.804 -4.517 -9.534 1.00 0.00 C ATOM 756 CE1 HIS A 773 6.284 -6.298 -8.376 1.00 0.00 C ATOM 757 NE2 HIS A 773 7.254 -5.704 -9.024 1.00 0.00 N ATOM 0 H HIS A 773 4.461 -3.194 -6.994 1.00 0.00 H new ATOM 0 HA HIS A 773 5.708 -1.606 -8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.515 -3.700 -9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.536 -3.106 -10.543 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.379 -3.810 -10.114 1.00 0.00 H new ATOM 0 HE1 HIS A 773 6.350 -7.250 -7.870 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.200 -6.070 -9.132 1.00 0.00 H new ATOM 765 N GLU A 774 2.482 -1.170 -8.465 1.00 0.00 N ATOM 766 CA GLU A 774 1.347 -0.299 -8.775 1.00 0.00 C ATOM 767 C GLU A 774 1.517 1.048 -8.090 1.00 0.00 C ATOM 768 O GLU A 774 1.370 2.099 -8.710 1.00 0.00 O ATOM 769 CB GLU A 774 0.023 -0.934 -8.347 1.00 0.00 C ATOM 770 CG GLU A 774 -0.140 -2.377 -8.790 1.00 0.00 C ATOM 771 CD GLU A 774 -1.398 -2.972 -8.256 1.00 0.00 C ATOM 772 OE1 GLU A 774 -1.415 -3.370 -7.086 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.403 -3.037 -8.996 1.00 0.00 O ATOM 0 H GLU A 774 2.291 -1.887 -7.765 1.00 0.00 H new ATOM 0 HA GLU A 774 1.322 -0.156 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -0.057 -0.887 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.799 -0.345 -8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.146 -2.426 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.714 -2.962 -8.449 1.00 0.00 H new ATOM 780 N HIS A 775 1.897 0.984 -6.833 1.00 0.00 N ATOM 781 CA HIS A 775 2.102 2.133 -5.953 1.00 0.00 C ATOM 782 C HIS A 775 3.233 3.019 -6.486 1.00 0.00 C ATOM 783 O HIS A 775 3.284 4.210 -6.218 1.00 0.00 O ATOM 784 CB HIS A 775 2.354 1.649 -4.506 1.00 0.00 C ATOM 785 CG HIS A 775 2.552 2.731 -3.478 1.00 0.00 C ATOM 786 ND1 HIS A 775 1.657 3.760 -3.277 1.00 0.00 N ATOM 787 CD2 HIS A 775 3.555 2.934 -2.598 1.00 0.00 C ATOM 788 CE1 HIS A 775 2.110 4.553 -2.319 1.00 0.00 C ATOM 789 NE2 HIS A 775 3.256 4.073 -1.891 1.00 0.00 N ATOM 0 H HIS A 775 2.082 0.095 -6.368 1.00 0.00 H new ATOM 0 HA HIS A 775 1.203 2.749 -5.936 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.511 1.031 -4.198 1.00 0.00 H new ATOM 0 HB3 HIS A 775 3.236 1.008 -4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 775 4.431 2.315 -2.473 1.00 0.00 H new ATOM 0 HE1 HIS A 775 1.621 5.443 -1.952 1.00 0.00 H new ATOM 0 HE2 HIS A 775 3.831 4.480 -1.153 1.00 0.00 H new ATOM 797 N GLN A 776 4.160 2.390 -7.204 1.00 0.00 N ATOM 798 CA GLN A 776 5.280 3.063 -7.833 1.00 0.00 C ATOM 799 C GLN A 776 4.736 4.154 -8.757 1.00 0.00 C ATOM 800 O GLN A 776 5.191 5.296 -8.746 1.00 0.00 O ATOM 801 CB GLN A 776 6.081 2.007 -8.655 1.00 0.00 C ATOM 802 CG GLN A 776 7.506 2.374 -9.120 1.00 0.00 C ATOM 803 CD GLN A 776 7.585 3.467 -10.166 1.00 0.00 C ATOM 804 OE1 GLN A 776 7.709 4.641 -9.844 1.00 0.00 O ATOM 805 NE2 GLN A 776 7.519 3.092 -11.419 1.00 0.00 N ATOM 0 H GLN A 776 4.149 1.383 -7.364 1.00 0.00 H new ATOM 0 HA GLN A 776 5.934 3.519 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 776 6.150 1.100 -8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 776 5.495 1.760 -9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 776 8.086 2.684 -8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 776 7.982 1.478 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 776 7.416 2.104 -11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 776 7.571 3.788 -12.163 1.00 0.00 H new ATOM 814 N GLN A 777 3.743 3.789 -9.505 1.00 0.00 N ATOM 815 CA GLN A 777 3.153 4.659 -10.507 1.00 0.00 C ATOM 816 C GLN A 777 2.064 5.542 -9.898 1.00 0.00 C ATOM 817 O GLN A 777 1.974 6.737 -10.168 1.00 0.00 O ATOM 818 CB GLN A 777 2.496 3.787 -11.575 1.00 0.00 C ATOM 819 CG GLN A 777 3.320 2.585 -12.019 1.00 0.00 C ATOM 820 CD GLN A 777 2.459 1.379 -12.381 1.00 0.00 C ATOM 821 OE1 GLN A 777 2.825 0.589 -13.240 1.00 0.00 O ATOM 822 NE2 GLN A 777 1.347 1.191 -11.680 1.00 0.00 N ATOM 0 H GLN A 777 3.305 2.870 -9.446 1.00 0.00 H new ATOM 0 HA GLN A 777 3.938 5.291 -10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 777 1.538 3.432 -11.194 1.00 0.00 H new ATOM 0 HB3 GLN A 777 2.283 4.405 -12.447 1.00 0.00 H new ATOM 0 HG2 GLN A 777 3.926 2.864 -12.881 1.00 0.00 H new ATOM 0 HG3 GLN A 777 4.009 2.308 -11.221 1.00 0.00 H new ATOM 0 HE21 GLN A 777 1.070 1.870 -10.971 1.00 0.00 H new ATOM 0 HE22 GLN A 777 0.769 0.368 -11.851 1.00 0.00 H new ATOM 831 N MET A 778 1.257 4.933 -9.079 1.00 0.00 N ATOM 832 CA MET A 778 0.039 5.519 -8.615 1.00 0.00 C ATOM 833 C MET A 778 0.180 6.108 -7.238 1.00 0.00 C ATOM 834 O MET A 778 0.272 5.376 -6.249 1.00 0.00 O ATOM 835 CB MET A 778 -1.049 4.474 -8.592 1.00 0.00 C ATOM 836 CG MET A 778 -1.507 3.981 -9.975 1.00 0.00 C ATOM 837 SD MET A 778 -2.454 2.437 -9.903 1.00 0.00 S ATOM 838 CE MET A 778 -3.851 2.916 -8.878 1.00 0.00 C ATOM 0 H MET A 778 1.432 3.999 -8.710 1.00 0.00 H new ATOM 0 HA MET A 778 -0.216 6.326 -9.302 1.00 0.00 H new ATOM 0 HB2 MET A 778 -0.697 3.618 -8.016 1.00 0.00 H new ATOM 0 HB3 MET A 778 -1.912 4.881 -8.064 1.00 0.00 H new ATOM 0 HG2 MET A 778 -2.117 4.752 -10.445 1.00 0.00 H new ATOM 0 HG3 MET A 778 -0.633 3.835 -10.610 1.00 0.00 H new ATOM 0 HE1 MET A 778 -4.561 2.091 -8.822 1.00 0.00 H new ATOM 0 HE2 MET A 778 -3.500 3.161 -7.876 1.00 0.00 H new ATOM 0 HE3 MET A 778 -4.340 3.787 -9.314 1.00 0.00 H new ATOM 848 N ARG A 779 0.259 7.409 -7.209 1.00 0.00 N ATOM 849 CA ARG A 779 0.305 8.238 -6.035 1.00 0.00 C ATOM 850 C ARG A 779 1.649 8.643 -5.610 1.00 0.00 C ATOM 851 O ARG A 779 2.644 7.948 -5.838 1.00 0.00 O ATOM 852 CB ARG A 779 -0.627 7.899 -4.876 1.00 0.00 C ATOM 853 CG ARG A 779 -2.068 8.095 -5.245 1.00 0.00 C ATOM 854 CD ARG A 779 -3.002 7.978 -4.066 1.00 0.00 C ATOM 855 NE ARG A 779 -2.850 6.723 -3.329 1.00 0.00 N ATOM 856 CZ ARG A 779 -3.679 5.681 -3.409 1.00 0.00 C ATOM 857 NH1 ARG A 779 -4.534 5.562 -4.416 1.00 0.00 N ATOM 858 NH2 ARG A 779 -3.625 4.730 -2.500 1.00 0.00 N ATOM 0 H ARG A 779 0.296 7.958 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 779 -0.165 9.136 -6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 779 -0.467 6.865 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 779 -0.383 8.525 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 779 -2.190 9.077 -5.701 1.00 0.00 H new ATOM 0 HG3 ARG A 779 -2.348 7.357 -5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 779 -2.826 8.813 -3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 779 -4.031 8.063 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 779 -2.047 6.638 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 779 -4.565 6.274 -5.146 1.00 0.00 H new ATOM 0 HH12 ARG A 779 -5.160 4.758 -4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 779 -2.951 4.791 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 779 -4.258 3.932 -2.559 1.00 0.00 H new ATOM 872 N ASP A 780 1.689 9.775 -5.024 1.00 0.00 N ATOM 873 CA ASP A 780 2.912 10.359 -4.546 1.00 0.00 C ATOM 874 C ASP A 780 2.731 10.789 -3.114 1.00 0.00 C ATOM 875 O ASP A 780 2.373 11.934 -2.838 1.00 0.00 O ATOM 876 CB ASP A 780 3.308 11.555 -5.424 1.00 0.00 C ATOM 877 CG ASP A 780 3.498 11.200 -6.877 1.00 0.00 C ATOM 878 OD1 ASP A 780 4.538 10.618 -7.226 1.00 0.00 O ATOM 879 OD2 ASP A 780 2.604 11.503 -7.713 1.00 0.00 O ATOM 0 H ASP A 780 0.863 10.347 -4.851 1.00 0.00 H new ATOM 0 HA ASP A 780 3.712 9.621 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 780 2.540 12.324 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 780 4.232 11.987 -5.040 1.00 0.00 H new ATOM 884 N ASP A 781 2.896 9.854 -2.202 1.00 0.00 N ATOM 885 CA ASP A 781 2.708 10.138 -0.781 1.00 0.00 C ATOM 886 C ASP A 781 3.976 10.715 -0.189 1.00 0.00 C ATOM 887 O ASP A 781 3.954 11.758 0.444 1.00 0.00 O ATOM 888 CB ASP A 781 2.304 8.873 -0.012 1.00 0.00 C ATOM 889 CG ASP A 781 1.388 9.188 1.153 1.00 0.00 C ATOM 890 OD1 ASP A 781 1.222 10.377 1.502 1.00 0.00 O ATOM 891 OD2 ASP A 781 0.740 8.270 1.679 1.00 0.00 O ATOM 0 H ASP A 781 3.159 8.891 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 781 1.903 10.868 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 781 1.805 8.180 -0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 781 3.199 8.370 0.355 1.00 0.00 H new ATOM 896 N LEU A 782 5.101 10.080 -0.480 1.00 0.00 N ATOM 897 CA LEU A 782 6.403 10.487 0.096 1.00 0.00 C ATOM 898 C LEU A 782 6.879 11.783 -0.554 1.00 0.00 C ATOM 899 O LEU A 782 7.700 12.507 0.016 1.00 0.00 O ATOM 900 CB LEU A 782 7.450 9.394 -0.131 1.00 0.00 C ATOM 901 CG LEU A 782 8.723 9.498 0.705 1.00 0.00 C ATOM 902 CD1 LEU A 782 8.424 9.292 2.189 1.00 0.00 C ATOM 903 CD2 LEU A 782 9.749 8.502 0.221 1.00 0.00 C ATOM 0 H LEU A 782 5.154 9.279 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 782 6.273 10.642 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 782 6.986 8.428 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 782 7.730 9.401 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 782 9.130 10.502 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 782 9.349 9.371 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 782 7.721 10.053 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 782 7.988 8.304 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 782 10.652 8.587 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 782 9.346 7.493 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 782 9.990 8.706 -0.822 1.00 0.00 H new ATOM 915 N GLU A 783 6.346 12.066 -1.753 1.00 0.00 N ATOM 916 CA GLU A 783 6.642 13.291 -2.501 1.00 0.00 C ATOM 917 C GLU A 783 6.282 14.496 -1.663 1.00 0.00 C ATOM 918 O GLU A 783 6.924 15.551 -1.723 1.00 0.00 O ATOM 919 CB GLU A 783 5.758 13.366 -3.716 1.00 0.00 C ATOM 920 CG GLU A 783 6.157 14.448 -4.709 1.00 0.00 C ATOM 921 CD GLU A 783 5.232 14.518 -5.886 1.00 0.00 C ATOM 922 OE1 GLU A 783 4.143 15.105 -5.752 1.00 0.00 O ATOM 923 OE2 GLU A 783 5.576 14.012 -6.975 1.00 0.00 O ATOM 0 H GLU A 783 5.693 11.445 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 783 7.699 13.279 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 783 5.772 12.401 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 783 4.732 13.543 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 783 6.170 15.414 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 783 7.172 14.258 -5.059 1.00 0.00 H new ATOM 930 N LYS A 784 5.256 14.315 -0.849 1.00 0.00 N ATOM 931 CA LYS A 784 4.743 15.330 -0.048 1.00 0.00 C ATOM 932 C LYS A 784 4.373 14.783 1.336 1.00 0.00 C ATOM 933 O LYS A 784 3.194 14.652 1.686 1.00 0.00 O ATOM 934 CB LYS A 784 3.555 15.997 -0.716 1.00 0.00 C ATOM 935 CG LYS A 784 3.924 17.323 -1.340 1.00 0.00 C ATOM 936 CD LYS A 784 2.707 18.127 -1.709 1.00 0.00 C ATOM 937 CE LYS A 784 3.112 19.504 -2.193 1.00 0.00 C ATOM 938 NZ LYS A 784 1.948 20.365 -2.468 1.00 0.00 N ATOM 0 H LYS A 784 4.769 13.424 -0.749 1.00 0.00 H new ATOM 0 HA LYS A 784 5.513 16.090 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 784 3.152 15.335 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 784 2.765 16.150 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 784 4.539 17.893 -0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 784 4.528 17.150 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 784 2.145 17.611 -2.488 1.00 0.00 H new ATOM 0 HD3 LYS A 784 2.047 18.217 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 784 3.743 19.979 -1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 784 3.711 19.407 -3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 2.275 21.296 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 1.358 19.926 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 1.389 20.481 -1.599 1.00 0.00 H new ATOM 952 N GLU A 785 5.384 14.380 2.054 1.00 0.00 N ATOM 953 CA GLU A 785 5.281 13.833 3.402 1.00 0.00 C ATOM 954 C GLU A 785 6.577 14.207 4.070 1.00 0.00 C ATOM 955 O GLU A 785 7.623 14.179 3.418 1.00 0.00 O ATOM 956 CB GLU A 785 5.108 12.269 3.361 1.00 0.00 C ATOM 957 CG GLU A 785 4.954 11.558 4.710 1.00 0.00 C ATOM 958 CD GLU A 785 4.968 10.041 4.595 1.00 0.00 C ATOM 959 OE1 GLU A 785 3.930 9.438 4.247 1.00 0.00 O ATOM 960 OE2 GLU A 785 6.001 9.420 4.905 1.00 0.00 O ATOM 0 H GLU A 785 6.345 14.420 1.714 1.00 0.00 H new ATOM 0 HA GLU A 785 4.415 14.223 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 785 4.233 12.039 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 785 5.972 11.844 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 785 5.760 11.873 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 785 4.019 11.872 5.174 1.00 0.00 H new ATOM 967 N ARG A 786 6.535 14.578 5.309 1.00 0.00 N ATOM 968 CA ARG A 786 7.736 14.970 5.994 1.00 0.00 C ATOM 969 C ARG A 786 8.098 13.923 7.024 1.00 0.00 C ATOM 970 O ARG A 786 7.233 13.450 7.764 1.00 0.00 O ATOM 971 CB ARG A 786 7.522 16.310 6.712 1.00 0.00 C ATOM 972 CG ARG A 786 8.701 16.744 7.583 1.00 0.00 C ATOM 973 CD ARG A 786 8.332 17.891 8.516 1.00 0.00 C ATOM 974 NE ARG A 786 7.262 17.490 9.451 1.00 0.00 N ATOM 975 CZ ARG A 786 7.137 17.886 10.728 1.00 0.00 C ATOM 976 NH1 ARG A 786 8.014 18.729 11.274 1.00 0.00 N ATOM 977 NH2 ARG A 786 6.134 17.422 11.451 1.00 0.00 N ATOM 0 H ARG A 786 5.685 14.620 5.872 1.00 0.00 H new ATOM 0 HA ARG A 786 8.537 15.070 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 786 7.330 17.083 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 786 6.630 16.238 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 786 9.048 15.895 8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 786 9.530 17.049 6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 786 9.212 18.205 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 786 8.005 18.750 7.930 1.00 0.00 H new ATOM 0 HE ARG A 786 6.551 16.852 9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 786 8.794 19.083 10.720 1.00 0.00 H new ATOM 0 HH12 ARG A 786 7.905 19.020 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 786 5.466 16.771 11.038 1.00 0.00 H new ATOM 0 HH22 ARG A 786 6.027 17.715 12.422 1.00 0.00 H new ATOM 991 N GLU A 787 9.363 13.562 7.057 1.00 0.00 N ATOM 992 CA GLU A 787 9.862 12.634 8.043 1.00 0.00 C ATOM 993 C GLU A 787 9.847 13.285 9.415 1.00 0.00 C ATOM 994 O GLU A 787 10.014 14.504 9.531 1.00 0.00 O ATOM 995 CB GLU A 787 11.286 12.176 7.689 1.00 0.00 C ATOM 996 CG GLU A 787 11.371 11.311 6.438 1.00 0.00 C ATOM 997 CD GLU A 787 10.759 9.944 6.637 1.00 0.00 C ATOM 998 OE1 GLU A 787 9.552 9.845 6.927 1.00 0.00 O ATOM 999 OE2 GLU A 787 11.484 8.930 6.544 1.00 0.00 O ATOM 0 H GLU A 787 10.069 13.902 6.404 1.00 0.00 H new ATOM 0 HA GLU A 787 9.215 11.757 8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 787 11.915 13.056 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 787 11.696 11.619 8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 787 10.864 11.816 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 787 12.416 11.199 6.148 1.00 0.00 H new ATOM 1006 N ASP A 788 9.637 12.502 10.435 1.00 0.00 N ATOM 1007 CA ASP A 788 9.626 13.018 11.785 1.00 0.00 C ATOM 1008 C ASP A 788 11.047 13.144 12.256 1.00 0.00 C ATOM 1009 O ASP A 788 11.948 12.537 11.675 1.00 0.00 O ATOM 1010 CB ASP A 788 8.801 12.095 12.702 1.00 0.00 C ATOM 1011 CG ASP A 788 8.740 12.543 14.146 1.00 0.00 C ATOM 1012 OD1 ASP A 788 8.524 13.753 14.403 1.00 0.00 O ATOM 1013 OD2 ASP A 788 8.862 11.699 15.048 1.00 0.00 O ATOM 0 H ASP A 788 9.470 11.498 10.362 1.00 0.00 H new ATOM 0 HA ASP A 788 9.155 14.001 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 788 7.786 12.028 12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 788 9.224 11.091 12.663 1.00 0.00 H new ATOM 1018 N LEU A 789 11.271 13.918 13.270 1.00 0.00 N ATOM 1019 CA LEU A 789 12.587 14.093 13.776 1.00 0.00 C ATOM 1020 C LEU A 789 12.802 13.049 14.853 1.00 0.00 C ATOM 1021 O LEU A 789 12.520 13.272 16.043 1.00 0.00 O ATOM 1022 CB LEU A 789 12.733 15.482 14.332 1.00 0.00 C ATOM 1023 CG LEU A 789 14.122 16.110 14.228 1.00 0.00 C ATOM 1024 CD1 LEU A 789 14.489 16.396 12.781 1.00 0.00 C ATOM 1025 CD2 LEU A 789 14.151 17.361 15.023 1.00 0.00 C ATOM 0 H LEU A 789 10.549 14.442 13.765 1.00 0.00 H new ATOM 0 HA LEU A 789 13.333 13.972 12.990 1.00 0.00 H new ATOM 0 HB2 LEU A 789 12.024 16.132 13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 789 12.444 15.462 15.383 1.00 0.00 H new ATOM 0 HG LEU A 789 14.856 15.407 14.622 1.00 0.00 H new ATOM 0 HD11 LEU A 789 15.482 16.842 12.739 1.00 0.00 H new ATOM 0 HD12 LEU A 789 14.485 15.465 12.214 1.00 0.00 H new ATOM 0 HD13 LEU A 789 13.763 17.086 12.351 1.00 0.00 H new ATOM 0 HD21 LEU A 789 15.140 17.814 14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 789 13.405 18.056 14.636 1.00 0.00 H new ATOM 0 HD23 LEU A 789 13.929 17.135 16.066 1.00 0.00 H new ATOM 1037 N ASP A 790 13.223 11.900 14.419 1.00 0.00 N ATOM 1038 CA ASP A 790 13.355 10.742 15.293 1.00 0.00 C ATOM 1039 C ASP A 790 14.802 10.398 15.448 1.00 0.00 C ATOM 1040 O ASP A 790 15.574 10.442 14.479 1.00 0.00 O ATOM 1041 CB ASP A 790 12.635 9.528 14.744 1.00 0.00 C ATOM 1042 CG ASP A 790 12.357 8.492 15.838 1.00 0.00 C ATOM 1043 OD1 ASP A 790 13.275 7.747 16.246 1.00 0.00 O ATOM 1044 OD2 ASP A 790 11.222 8.454 16.359 1.00 0.00 O ATOM 0 H ASP A 790 13.489 11.724 13.450 1.00 0.00 H new ATOM 0 HA ASP A 790 12.907 11.006 16.251 1.00 0.00 H new ATOM 0 HB2 ASP A 790 11.694 9.838 14.288 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.236 9.073 13.956 1.00 0.00 H new ATOM 1049 N LEU A 791 15.159 10.029 16.627 1.00 0.00 N ATOM 1050 CA LEU A 791 16.521 9.748 16.985 1.00 0.00 C ATOM 1051 C LEU A 791 16.917 8.310 16.710 1.00 0.00 C ATOM 1052 O LEU A 791 18.083 8.030 16.415 1.00 0.00 O ATOM 1053 CB LEU A 791 16.704 10.048 18.455 1.00 0.00 C ATOM 1054 CG LEU A 791 18.088 9.838 19.017 1.00 0.00 C ATOM 1055 CD1 LEU A 791 19.063 10.781 18.370 1.00 0.00 C ATOM 1056 CD2 LEU A 791 18.070 10.007 20.510 1.00 0.00 C ATOM 0 H LEU A 791 14.500 9.908 17.397 1.00 0.00 H new ATOM 0 HA LEU A 791 17.164 10.377 16.370 1.00 0.00 H new ATOM 0 HB2 LEU A 791 16.419 11.085 18.630 1.00 0.00 H new ATOM 0 HB3 LEU A 791 16.009 9.427 19.019 1.00 0.00 H new ATOM 0 HG LEU A 791 18.413 8.821 18.797 1.00 0.00 H new ATOM 0 HD11 LEU A 791 20.057 10.618 18.786 1.00 0.00 H new ATOM 0 HD12 LEU A 791 19.085 10.601 17.295 1.00 0.00 H new ATOM 0 HD13 LEU A 791 18.755 11.809 18.559 1.00 0.00 H new ATOM 0 HD21 LEU A 791 19.074 9.853 20.906 1.00 0.00 H new ATOM 0 HD22 LEU A 791 17.732 11.013 20.758 1.00 0.00 H new ATOM 0 HD23 LEU A 791 17.391 9.277 20.951 1.00 0.00 H new ATOM 1068 N ASP A 792 15.989 7.423 16.818 1.00 0.00 N ATOM 1069 CA ASP A 792 16.285 5.999 16.702 1.00 0.00 C ATOM 1070 C ASP A 792 16.588 5.546 15.295 1.00 0.00 C ATOM 1071 O ASP A 792 17.746 5.507 14.877 1.00 0.00 O ATOM 1072 CB ASP A 792 15.208 5.144 17.350 1.00 0.00 C ATOM 1073 CG ASP A 792 15.624 3.693 17.490 1.00 0.00 C ATOM 1074 OD1 ASP A 792 16.466 3.385 18.359 1.00 0.00 O ATOM 1075 OD2 ASP A 792 15.123 2.848 16.747 1.00 0.00 O ATOM 0 H ASP A 792 15.007 7.640 16.988 1.00 0.00 H new ATOM 0 HA ASP A 792 17.211 5.851 17.258 1.00 0.00 H new ATOM 0 HB2 ASP A 792 14.972 5.547 18.335 1.00 0.00 H new ATOM 0 HB3 ASP A 792 14.296 5.201 16.755 1.00 0.00 H new ATOM 1080 N HIS A 793 15.581 5.192 14.581 1.00 0.00 N ATOM 1081 CA HIS A 793 15.715 4.710 13.240 1.00 0.00 C ATOM 1082 C HIS A 793 14.522 5.190 12.438 1.00 0.00 C ATOM 1083 O HIS A 793 13.537 5.605 13.031 1.00 0.00 O ATOM 1084 CB HIS A 793 15.758 3.183 13.240 1.00 0.00 C ATOM 1085 CG HIS A 793 17.055 2.568 13.663 1.00 0.00 C ATOM 1086 ND1 HIS A 793 18.093 2.324 12.782 1.00 0.00 N ATOM 1087 CD2 HIS A 793 17.483 2.138 14.866 1.00 0.00 C ATOM 1088 CE1 HIS A 793 19.099 1.771 13.438 1.00 0.00 C ATOM 1089 NE2 HIS A 793 18.751 1.651 14.698 1.00 0.00 N ATOM 0 H HIS A 793 14.617 5.227 14.913 1.00 0.00 H new ATOM 0 HA HIS A 793 16.638 5.085 12.798 1.00 0.00 H new ATOM 0 HB2 HIS A 793 14.971 2.816 13.900 1.00 0.00 H new ATOM 0 HB3 HIS A 793 15.521 2.832 12.236 1.00 0.00 H new ATOM 0 HD2 HIS A 793 16.928 2.171 15.792 1.00 0.00 H new ATOM 0 HE1 HIS A 793 20.044 1.470 13.011 1.00 0.00 H new ATOM 0 HE2 HIS A 793 19.334 1.257 15.436 1.00 0.00 H new ATOM 1097 N SER A 794 14.585 5.108 11.112 1.00 0.00 N ATOM 1098 CA SER A 794 13.474 5.550 10.218 1.00 0.00 C ATOM 1099 C SER A 794 13.687 5.073 8.749 1.00 0.00 C ATOM 1100 O SER A 794 13.049 5.598 7.822 1.00 0.00 O ATOM 1101 CB SER A 794 13.321 7.119 10.199 1.00 0.00 C ATOM 1102 OG SER A 794 13.212 7.685 11.502 1.00 0.00 O ATOM 0 H SER A 794 15.394 4.739 10.612 1.00 0.00 H new ATOM 0 HA SER A 794 12.571 5.097 10.627 1.00 0.00 H new ATOM 0 HB2 SER A 794 14.180 7.556 9.690 1.00 0.00 H new ATOM 0 HB3 SER A 794 12.438 7.385 9.619 1.00 0.00 H new ATOM 0 HG SER A 794 12.983 6.982 12.146 1.00 0.00 H new ATOM 1108 N SER A 795 14.512 4.053 8.541 1.00 0.00 N ATOM 1109 CA SER A 795 14.736 3.527 7.206 1.00 0.00 C ATOM 1110 C SER A 795 14.043 2.175 7.113 1.00 0.00 C ATOM 1111 O SER A 795 13.963 1.443 8.099 1.00 0.00 O ATOM 1112 CB SER A 795 16.249 3.376 6.895 1.00 0.00 C ATOM 1113 OG SER A 795 16.465 3.091 5.522 1.00 0.00 O ATOM 0 H SER A 795 15.033 3.578 9.278 1.00 0.00 H new ATOM 0 HA SER A 795 14.328 4.222 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 795 16.772 4.294 7.165 1.00 0.00 H new ATOM 0 HB3 SER A 795 16.670 2.577 7.506 1.00 0.00 H new ATOM 0 HG SER A 795 17.426 3.003 5.354 1.00 0.00 H new ATOM 1119 N LEU A 796 13.510 1.859 5.970 1.00 0.00 N ATOM 1120 CA LEU A 796 12.838 0.600 5.791 1.00 0.00 C ATOM 1121 C LEU A 796 13.735 -0.331 4.997 1.00 0.00 C ATOM 1122 CB LEU A 796 11.474 0.782 5.088 1.00 0.00 C ATOM 1123 CG LEU A 796 10.316 1.425 5.895 1.00 0.00 C ATOM 1124 CD1 LEU A 796 10.566 2.898 6.207 1.00 0.00 C ATOM 1125 CD2 LEU A 796 8.999 1.254 5.153 1.00 0.00 C ATOM 0 H LEU A 796 13.526 2.456 5.143 1.00 0.00 H new ATOM 0 HA LEU A 796 12.637 0.165 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 796 11.636 1.389 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 796 11.140 -0.199 4.749 1.00 0.00 H new ATOM 0 HG LEU A 796 10.263 0.904 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 796 9.725 3.298 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 796 11.478 2.996 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 796 10.674 3.454 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 796 8.194 1.710 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 796 9.065 1.737 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 796 8.793 0.192 5.018 1.00 0.00 H new TER 1137 LEU A 796