USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 772 SER OG : rot 127:sc= 1.27 USER MOD Set 1.2: A 781 THR OG1 : rot -2:sc= 1.03 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -0.512 K(o=-0.62,f=-1.5) USER MOD Set 2.2: A 769 HIS : no HD1:sc= -0.103 X(o=-0.62,f=-0.62) USER MOD Set 3.1: A 737 MET CE :methyl -164:sc= -0.268 (180deg=-0.81) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.235 X(o=-0.5,f=-0.37) USER MOD Single : A 728 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.027) USER MOD Single : A 732 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 739 SER OG : rot 180:sc= -0.488 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 161:sc= -0.306 (180deg=-0.721) USER MOD Single : A 743 GLN : amide:sc= 0.174 K(o=0.17,f=-1) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 760 GLN : amide:sc= 0.495 K(o=0.5,f=-5!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 144:sc= 0.172 (180deg=0.00378) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.390 3.908 -11.603 1.00 1.00 N ATOM 25 CA ASP A 727 3.291 2.826 -11.978 1.00 1.00 C ATOM 26 C ASP A 727 4.326 2.492 -10.910 1.00 1.00 C ATOM 27 O ASP A 727 4.650 1.324 -10.710 1.00 1.00 O ATOM 28 CB ASP A 727 3.993 3.243 -13.271 1.00 1.00 C ATOM 29 CG ASP A 727 4.470 2.043 -14.070 1.00 1.00 C ATOM 30 OD1 ASP A 727 3.604 1.245 -14.498 1.00 1.00 O ATOM 31 OD2 ASP A 727 5.679 1.982 -14.386 1.00 1.00 O ATOM 0 HA ASP A 727 2.699 1.920 -12.106 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.310 3.836 -13.880 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.844 3.881 -13.032 1.00 1.00 H new ATOM 36 N HIS A 728 4.821 3.514 -10.206 1.00 1.00 N ATOM 37 CA HIS A 728 5.879 3.373 -9.214 1.00 1.00 C ATOM 38 C HIS A 728 5.395 2.446 -8.099 1.00 1.00 C ATOM 39 O HIS A 728 6.030 1.437 -7.784 1.00 1.00 O ATOM 40 CB HIS A 728 6.252 4.740 -8.609 1.00 1.00 C ATOM 41 CG HIS A 728 6.597 5.884 -9.535 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.977 7.131 -9.095 1.00 1.00 N ATOM 43 CD2 HIS A 728 6.564 5.928 -10.906 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.160 7.914 -10.164 1.00 1.00 C ATOM 45 NE2 HIS A 728 6.901 7.230 -11.291 1.00 1.00 N ATOM 0 H HIS A 728 4.491 4.473 -10.314 1.00 1.00 H new ATOM 0 HA HIS A 728 6.761 2.957 -9.700 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.418 5.062 -7.985 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.104 4.585 -7.947 1.00 1.00 H new ATOM 0 HD2 HIS A 728 6.322 5.108 -11.566 1.00 1.00 H new ATOM 0 HE1 HIS A 728 7.471 8.948 -10.127 1.00 1.00 H new ATOM 0 HE2 HIS A 728 6.942 7.591 -12.244 1.00 1.00 H new ATOM 53 N PHE A 729 4.248 2.794 -7.503 1.00 1.00 N ATOM 54 CA PHE A 729 3.670 1.984 -6.453 1.00 1.00 C ATOM 55 C PHE A 729 3.317 0.627 -7.009 1.00 1.00 C ATOM 56 O PHE A 729 3.647 -0.347 -6.354 1.00 1.00 O ATOM 57 CB PHE A 729 2.448 2.635 -5.809 1.00 1.00 C ATOM 58 CG PHE A 729 2.792 3.940 -5.138 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.622 3.963 -4.002 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.333 5.141 -5.697 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.977 5.192 -3.422 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.726 6.368 -5.152 1.00 1.00 C ATOM 63 CZ PHE A 729 3.518 6.389 -3.999 1.00 1.00 C ATOM 0 H PHE A 729 3.712 3.630 -7.737 1.00 1.00 H new ATOM 0 HA PHE A 729 4.415 1.882 -5.664 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.686 2.808 -6.569 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.018 1.953 -5.076 1.00 1.00 H new ATOM 0 HD1 PHE A 729 3.985 3.039 -3.577 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.673 5.119 -6.552 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.598 5.217 -2.539 1.00 1.00 H new ATOM 0 HE2 PHE A 729 2.420 7.293 -5.618 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.780 7.335 -3.547 1.00 1.00 H new ATOM 73 N ARG A 730 2.695 0.532 -8.190 1.00 1.00 N ATOM 74 CA ARG A 730 2.310 -0.766 -8.735 1.00 1.00 C ATOM 75 C ARG A 730 3.512 -1.710 -8.764 1.00 1.00 C ATOM 76 O ARG A 730 3.409 -2.802 -8.213 1.00 1.00 O ATOM 77 CB ARG A 730 1.608 -0.595 -10.092 1.00 1.00 C ATOM 78 CG ARG A 730 0.777 -1.835 -10.463 1.00 1.00 C ATOM 79 CD ARG A 730 -0.063 -1.604 -11.727 1.00 1.00 C ATOM 80 NE ARG A 730 0.766 -1.684 -12.932 1.00 1.00 N ATOM 81 CZ ARG A 730 0.407 -2.055 -14.163 1.00 1.00 C ATOM 82 NH1 ARG A 730 -0.846 -2.383 -14.468 1.00 1.00 N ATOM 83 NH2 ARG A 730 1.347 -2.107 -15.097 1.00 1.00 N ATOM 0 H ARG A 730 2.452 1.330 -8.777 1.00 1.00 H new ATOM 0 HA ARG A 730 1.577 -1.239 -8.082 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.960 0.281 -10.059 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.353 -0.411 -10.866 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.442 -2.684 -10.619 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.120 -2.093 -9.633 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.859 -2.347 -11.779 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -0.542 -0.626 -11.676 1.00 1.00 H new ATOM 0 HE ARG A 730 1.745 -1.422 -12.815 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -1.570 -2.356 -13.750 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -1.083 -2.662 -15.420 1.00 1.00 H new ATOM 0 HH21 ARG A 730 2.311 -1.867 -14.864 1.00 1.00 H new ATOM 0 HH22 ARG A 730 1.106 -2.387 -16.048 1.00 1.00 H new ATOM 97 N ALA A 731 4.664 -1.280 -9.280 1.00 1.00 N ATOM 98 CA ALA A 731 5.879 -2.083 -9.254 1.00 1.00 C ATOM 99 C ALA A 731 6.342 -2.421 -7.829 1.00 1.00 C ATOM 100 O ALA A 731 6.753 -3.558 -7.574 1.00 1.00 O ATOM 101 CB ALA A 731 6.980 -1.345 -10.017 1.00 1.00 C ATOM 0 H ALA A 731 4.777 -0.369 -9.725 1.00 1.00 H new ATOM 0 HA ALA A 731 5.660 -3.036 -9.735 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.894 -1.939 -10.003 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.665 -1.188 -11.049 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.167 -0.381 -9.544 1.00 1.00 H new ATOM 107 N MET A 732 6.293 -1.469 -6.894 1.00 1.00 N ATOM 108 CA MET A 732 6.643 -1.732 -5.497 1.00 1.00 C ATOM 109 C MET A 732 5.725 -2.789 -4.877 1.00 1.00 C ATOM 110 O MET A 732 6.199 -3.676 -4.161 1.00 1.00 O ATOM 111 CB MET A 732 6.569 -0.445 -4.676 1.00 1.00 C ATOM 112 CG MET A 732 7.721 0.519 -4.976 1.00 1.00 C ATOM 113 SD MET A 732 7.684 2.056 -4.021 1.00 1.00 S ATOM 114 CE MET A 732 8.362 1.460 -2.446 1.00 1.00 C ATOM 0 H MET A 732 6.013 -0.506 -7.081 1.00 1.00 H new ATOM 0 HA MET A 732 7.664 -2.113 -5.483 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.622 0.055 -4.877 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.578 -0.695 -3.615 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.664 0.009 -4.782 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.704 0.766 -6.038 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.410 2.285 -1.735 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.720 0.674 -2.048 1.00 1.00 H new ATOM 0 HE3 MET A 732 9.364 1.062 -2.608 1.00 1.00 H new ATOM 124 N ILE A 733 4.419 -2.697 -5.133 1.00 1.00 N ATOM 125 CA ILE A 733 3.440 -3.670 -4.675 1.00 1.00 C ATOM 126 C ILE A 733 3.683 -5.019 -5.346 1.00 1.00 C ATOM 127 O ILE A 733 3.546 -6.040 -4.688 1.00 1.00 O ATOM 128 CB ILE A 733 1.965 -3.192 -4.794 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.752 -1.758 -4.253 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.082 -4.164 -4.002 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.419 -1.364 -3.610 1.00 1.00 C ATOM 0 H ILE A 733 4.012 -1.933 -5.672 1.00 1.00 H new ATOM 0 HA ILE A 733 3.590 -3.789 -3.602 1.00 1.00 H new ATOM 0 HB ILE A 733 1.701 -3.176 -5.851 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.533 -1.572 -3.516 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.926 -1.072 -5.082 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.041 -3.848 -4.071 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.185 -5.168 -4.414 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.392 -4.168 -2.957 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.462 -0.322 -3.293 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.386 -1.491 -4.334 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.231 -1.999 -2.744 1.00 1.00 H new ATOM 143 N VAL A 734 4.088 -5.066 -6.609 1.00 1.00 N ATOM 144 CA VAL A 734 4.386 -6.331 -7.285 1.00 1.00 C ATOM 145 C VAL A 734 5.578 -7.015 -6.603 1.00 1.00 C ATOM 146 O VAL A 734 5.561 -8.235 -6.397 1.00 1.00 O ATOM 147 CB VAL A 734 4.561 -6.080 -8.793 1.00 1.00 C ATOM 148 CG1 VAL A 734 5.127 -7.296 -9.537 1.00 1.00 C ATOM 149 CG2 VAL A 734 3.182 -5.762 -9.388 1.00 1.00 C ATOM 0 H VAL A 734 4.219 -4.240 -7.192 1.00 1.00 H new ATOM 0 HA VAL A 734 3.556 -7.032 -7.196 1.00 1.00 H new ATOM 0 HB VAL A 734 5.267 -5.258 -8.911 1.00 1.00 H new ATOM 0 HG11 VAL A 734 5.228 -7.060 -10.596 1.00 1.00 H new ATOM 0 HG12 VAL A 734 6.104 -7.551 -9.127 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.451 -8.143 -9.417 1.00 1.00 H new ATOM 0 HG21 VAL A 734 3.281 -5.580 -10.458 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.512 -6.606 -9.224 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.773 -4.874 -8.905 1.00 1.00 H new ATOM 159 N GLU A 735 6.575 -6.234 -6.183 1.00 1.00 N ATOM 160 CA GLU A 735 7.719 -6.731 -5.429 1.00 1.00 C ATOM 161 C GLU A 735 7.247 -7.281 -4.075 1.00 1.00 C ATOM 162 O GLU A 735 7.605 -8.392 -3.685 1.00 1.00 O ATOM 163 CB GLU A 735 8.719 -5.578 -5.280 1.00 1.00 C ATOM 164 CG GLU A 735 10.167 -6.039 -5.095 1.00 1.00 C ATOM 165 CD GLU A 735 11.103 -4.828 -5.129 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.048 -4.041 -6.106 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.849 -4.595 -4.157 1.00 1.00 O ATOM 0 H GLU A 735 6.608 -5.230 -6.360 1.00 1.00 H new ATOM 0 HA GLU A 735 8.212 -7.554 -5.946 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.660 -4.941 -6.163 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.430 -4.966 -4.425 1.00 1.00 H new ATOM 0 HG2 GLU A 735 10.273 -6.566 -4.147 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.438 -6.742 -5.882 1.00 1.00 H new ATOM 174 N PHE A 736 6.372 -6.544 -3.386 1.00 1.00 N ATOM 175 CA PHE A 736 5.763 -6.959 -2.125 1.00 1.00 C ATOM 176 C PHE A 736 4.940 -8.239 -2.300 1.00 1.00 C ATOM 177 O PHE A 736 4.979 -9.120 -1.447 1.00 1.00 O ATOM 178 CB PHE A 736 4.896 -5.808 -1.600 1.00 1.00 C ATOM 179 CG PHE A 736 4.236 -5.997 -0.244 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.956 -6.498 0.861 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.893 -5.601 -0.075 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.322 -6.629 2.107 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.267 -5.714 1.176 1.00 1.00 C ATOM 184 CZ PHE A 736 2.979 -6.250 2.260 1.00 1.00 C ATOM 0 H PHE A 736 6.062 -5.623 -3.698 1.00 1.00 H new ATOM 0 HA PHE A 736 6.545 -7.186 -1.400 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.516 -4.913 -1.552 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.113 -5.614 -2.333 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.992 -6.780 0.749 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.341 -5.207 -0.916 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.869 -7.023 2.951 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.244 -5.391 1.304 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.492 -6.371 3.216 1.00 1.00 H new ATOM 194 N MET A 737 4.222 -8.367 -3.413 1.00 1.00 N ATOM 195 CA MET A 737 3.436 -9.526 -3.816 1.00 1.00 C ATOM 196 C MET A 737 4.334 -10.723 -4.135 1.00 1.00 C ATOM 197 O MET A 737 3.895 -11.866 -3.976 1.00 1.00 O ATOM 198 CB MET A 737 2.556 -9.121 -5.008 1.00 1.00 C ATOM 199 CG MET A 737 1.371 -8.234 -4.609 1.00 1.00 C ATOM 200 SD MET A 737 -0.053 -9.104 -3.908 1.00 1.00 S ATOM 201 CE MET A 737 -0.531 -10.099 -5.349 1.00 1.00 C ATOM 0 H MET A 737 4.172 -7.615 -4.100 1.00 1.00 H new ATOM 0 HA MET A 737 2.794 -9.847 -2.995 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.167 -8.593 -5.740 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.180 -10.020 -5.496 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.718 -7.499 -3.883 1.00 1.00 H new ATOM 0 HG3 MET A 737 1.040 -7.682 -5.489 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.542 -10.481 -5.208 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.499 -9.480 -6.245 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.161 -10.934 -5.460 1.00 1.00 H new ATOM 211 N ALA A 738 5.570 -10.501 -4.591 1.00 1.00 N ATOM 212 CA ALA A 738 6.534 -11.573 -4.812 1.00 1.00 C ATOM 213 C ALA A 738 7.155 -12.008 -3.477 1.00 1.00 C ATOM 214 O ALA A 738 7.358 -13.199 -3.242 1.00 1.00 O ATOM 215 CB ALA A 738 7.619 -11.115 -5.794 1.00 1.00 C ATOM 0 H ALA A 738 5.927 -9.572 -4.816 1.00 1.00 H new ATOM 0 HA ALA A 738 6.019 -12.430 -5.247 1.00 1.00 H new ATOM 0 HB1 ALA A 738 8.333 -11.924 -5.951 1.00 1.00 H new ATOM 0 HB2 ALA A 738 7.159 -10.847 -6.745 1.00 1.00 H new ATOM 0 HB3 ALA A 738 8.138 -10.248 -5.385 1.00 1.00 H new ATOM 221 N SER A 739 7.464 -11.050 -2.605 1.00 1.00 N ATOM 222 CA SER A 739 8.155 -11.241 -1.338 1.00 1.00 C ATOM 223 C SER A 739 7.238 -11.784 -0.222 1.00 1.00 C ATOM 224 O SER A 739 7.671 -12.602 0.588 1.00 1.00 O ATOM 225 CB SER A 739 8.769 -9.871 -1.008 1.00 1.00 C ATOM 226 OG SER A 739 9.713 -9.900 0.037 1.00 1.00 O ATOM 0 H SER A 739 7.226 -10.073 -2.774 1.00 1.00 H new ATOM 0 HA SER A 739 8.923 -12.010 -1.416 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.247 -9.474 -1.904 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.969 -9.181 -0.741 1.00 1.00 H new ATOM 0 HG SER A 739 10.061 -8.996 0.189 1.00 1.00 H new ATOM 232 N LYS A 740 5.985 -11.320 -0.150 1.00 1.00 N ATOM 233 CA LYS A 740 4.973 -11.618 0.872 1.00 1.00 C ATOM 234 C LYS A 740 5.519 -11.599 2.298 1.00 1.00 C ATOM 235 O LYS A 740 5.254 -12.524 3.061 1.00 1.00 O ATOM 236 CB LYS A 740 4.064 -12.820 0.530 1.00 1.00 C ATOM 237 CG LYS A 740 4.740 -14.199 0.454 1.00 1.00 C ATOM 238 CD LYS A 740 3.644 -15.258 0.290 1.00 1.00 C ATOM 239 CE LYS A 740 4.220 -16.665 0.149 1.00 1.00 C ATOM 240 NZ LYS A 740 3.159 -17.640 -0.167 1.00 1.00 N ATOM 0 H LYS A 740 5.625 -10.679 -0.857 1.00 1.00 H new ATOM 0 HA LYS A 740 4.285 -10.773 0.847 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.272 -12.870 1.277 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.586 -12.622 -0.429 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.434 -14.237 -0.385 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.321 -14.389 1.357 1.00 1.00 H new ATOM 0 HD2 LYS A 740 2.977 -15.225 1.151 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.043 -15.023 -0.588 1.00 1.00 H new ATOM 0 HE2 LYS A 740 4.975 -16.676 -0.637 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.719 -16.952 1.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 3.575 -18.589 -0.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 2.452 -17.644 0.596 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 2.700 -17.376 -1.062 1.00 1.00 H new ATOM 253 N LYS A 741 6.236 -10.529 2.664 1.00 1.00 N ATOM 254 CA LYS A 741 6.868 -10.358 3.966 1.00 1.00 C ATOM 255 C LYS A 741 5.839 -10.539 5.077 1.00 1.00 C ATOM 256 O LYS A 741 5.785 -11.597 5.684 1.00 1.00 O ATOM 257 CB LYS A 741 7.574 -9.001 3.989 1.00 1.00 C ATOM 258 CG LYS A 741 8.861 -9.032 3.163 1.00 1.00 C ATOM 259 CD LYS A 741 9.950 -9.976 3.694 1.00 1.00 C ATOM 260 CE LYS A 741 11.266 -9.781 2.939 1.00 1.00 C ATOM 261 NZ LYS A 741 12.378 -10.507 3.581 1.00 1.00 N ATOM 0 H LYS A 741 6.393 -9.738 2.039 1.00 1.00 H new ATOM 0 HA LYS A 741 7.626 -11.121 4.142 1.00 1.00 H new ATOM 0 HB2 LYS A 741 6.906 -8.234 3.597 1.00 1.00 H new ATOM 0 HB3 LYS A 741 7.806 -8.726 5.018 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.613 -9.325 2.143 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.268 -8.022 3.115 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.107 -9.793 4.757 1.00 1.00 H new ATOM 0 HD3 LYS A 741 9.620 -11.010 3.594 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.151 -10.127 1.912 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.504 -8.718 2.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.253 -10.351 3.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.505 -10.159 4.553 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.162 -11.524 3.603 1.00 1.00 H new ATOM 274 N MET A 742 5.070 -9.490 5.355 1.00 1.00 N ATOM 275 CA MET A 742 3.936 -9.389 6.266 1.00 1.00 C ATOM 276 C MET A 742 3.266 -8.079 5.910 1.00 1.00 C ATOM 277 O MET A 742 2.185 -8.094 5.332 1.00 1.00 O ATOM 278 CB MET A 742 4.263 -9.434 7.774 1.00 1.00 C ATOM 279 CG MET A 742 4.473 -10.819 8.396 1.00 1.00 C ATOM 280 SD MET A 742 2.989 -11.873 8.370 1.00 1.00 S ATOM 281 CE MET A 742 3.324 -12.954 6.953 1.00 1.00 C ATOM 0 H MET A 742 5.246 -8.595 4.898 1.00 1.00 H new ATOM 0 HA MET A 742 3.308 -10.270 6.132 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.165 -8.846 7.943 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.454 -8.940 8.312 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.277 -11.327 7.864 1.00 1.00 H new ATOM 0 HG3 MET A 742 4.802 -10.697 9.428 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.696 -13.843 7.017 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.105 -12.420 6.028 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.373 -13.250 6.961 1.00 1.00 H new ATOM 291 N GLN A 743 3.951 -6.957 6.147 1.00 1.00 N ATOM 292 CA GLN A 743 3.426 -5.617 5.932 1.00 1.00 C ATOM 293 C GLN A 743 4.424 -4.756 5.159 1.00 1.00 C ATOM 294 O GLN A 743 5.613 -5.078 5.083 1.00 1.00 O ATOM 295 CB GLN A 743 3.012 -4.996 7.278 1.00 1.00 C ATOM 296 CG GLN A 743 4.163 -4.826 8.287 1.00 1.00 C ATOM 297 CD GLN A 743 4.413 -3.360 8.630 1.00 1.00 C ATOM 298 OE1 GLN A 743 3.623 -2.744 9.341 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.500 -2.773 8.157 1.00 1.00 N ATOM 0 H GLN A 743 4.907 -6.961 6.502 1.00 1.00 H new ATOM 0 HA GLN A 743 2.531 -5.672 5.312 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.564 -4.020 7.090 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.240 -5.620 7.729 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.930 -5.377 9.198 1.00 1.00 H new ATOM 0 HG3 GLN A 743 5.073 -5.262 7.875 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.147 -3.297 7.568 1.00 1.00 H new ATOM 0 HE22 GLN A 743 5.691 -1.797 8.382 1.00 1.00 H new ATOM 308 N LEU A 744 3.923 -3.665 4.593 1.00 1.00 N ATOM 309 CA LEU A 744 4.639 -2.620 3.885 1.00 1.00 C ATOM 310 C LEU A 744 3.867 -1.355 4.223 1.00 1.00 C ATOM 311 O LEU A 744 2.640 -1.322 4.112 1.00 1.00 O ATOM 312 CB LEU A 744 4.631 -2.910 2.376 1.00 1.00 C ATOM 313 CG LEU A 744 5.544 -2.012 1.514 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.475 -2.527 0.075 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.211 -0.522 1.514 1.00 1.00 C ATOM 0 H LEU A 744 2.921 -3.476 4.622 1.00 1.00 H new ATOM 0 HA LEU A 744 5.688 -2.540 4.168 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.926 -3.948 2.223 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.608 -2.812 2.012 1.00 1.00 H new ATOM 0 HG LEU A 744 6.537 -2.079 1.958 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.111 -1.912 -0.562 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.819 -3.561 0.042 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.446 -2.475 -0.281 1.00 1.00 H new ATOM 0 HD21 LEU A 744 5.917 0.009 0.876 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.199 -0.375 1.136 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.278 -0.134 2.530 1.00 1.00 H new ATOM 327 N GLU A 745 4.561 -0.330 4.689 1.00 1.00 N ATOM 328 CA GLU A 745 3.988 0.930 5.068 1.00 1.00 C ATOM 329 C GLU A 745 4.388 1.924 3.972 1.00 1.00 C ATOM 330 O GLU A 745 5.582 2.156 3.764 1.00 1.00 O ATOM 331 CB GLU A 745 4.546 1.237 6.455 1.00 1.00 C ATOM 332 CG GLU A 745 3.878 0.345 7.526 1.00 1.00 C ATOM 333 CD GLU A 745 4.656 0.311 8.842 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.888 0.068 8.801 1.00 1.00 O ATOM 335 OE2 GLU A 745 4.088 0.537 9.928 1.00 1.00 O ATOM 0 H GLU A 745 5.573 -0.364 4.814 1.00 1.00 H new ATOM 0 HA GLU A 745 2.901 0.960 5.143 1.00 1.00 H new ATOM 0 HB2 GLU A 745 5.624 1.076 6.462 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.379 2.287 6.695 1.00 1.00 H new ATOM 0 HG2 GLU A 745 2.868 0.709 7.716 1.00 1.00 H new ATOM 0 HG3 GLU A 745 3.784 -0.670 7.139 1.00 1.00 H new ATOM 342 N PHE A 746 3.413 2.479 3.250 1.00 1.00 N ATOM 343 CA PHE A 746 3.639 3.421 2.153 1.00 1.00 C ATOM 344 C PHE A 746 3.560 4.852 2.739 1.00 1.00 C ATOM 345 O PHE A 746 2.803 5.104 3.687 1.00 1.00 O ATOM 346 CB PHE A 746 2.688 3.138 0.964 1.00 1.00 C ATOM 347 CG PHE A 746 3.104 2.022 0.014 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.267 2.165 -0.770 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.305 0.871 -0.158 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.638 1.174 -1.690 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.685 -0.126 -1.072 1.00 1.00 C ATOM 352 CZ PHE A 746 3.851 0.026 -1.839 1.00 1.00 C ATOM 0 H PHE A 746 2.426 2.282 3.415 1.00 1.00 H new ATOM 0 HA PHE A 746 4.631 3.303 1.717 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.703 2.896 1.364 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.581 4.056 0.386 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.879 3.048 -0.661 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.397 0.756 0.416 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.532 1.297 -2.284 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.078 -1.012 -1.185 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.140 -0.741 -2.542 1.00 1.00 H new ATOM 362 N PRO A 747 4.307 5.811 2.156 1.00 1.00 N ATOM 363 CA PRO A 747 4.444 7.172 2.669 1.00 1.00 C ATOM 364 C PRO A 747 3.183 8.045 2.764 1.00 1.00 C ATOM 365 O PRO A 747 2.197 7.831 2.059 1.00 1.00 O ATOM 366 CB PRO A 747 5.514 7.836 1.792 1.00 1.00 C ATOM 367 CG PRO A 747 5.402 7.089 0.471 1.00 1.00 C ATOM 368 CD PRO A 747 5.075 5.670 0.923 1.00 1.00 C ATOM 0 HA PRO A 747 4.710 7.087 3.723 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.326 8.902 1.668 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.508 7.736 2.227 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.619 7.503 -0.165 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.330 7.130 -0.099 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.500 5.140 0.163 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.985 5.095 1.093 1.00 1.00 H new ATOM 376 N PRO A 748 3.229 9.104 3.598 1.00 1.00 N ATOM 377 CA PRO A 748 2.156 10.084 3.712 1.00 1.00 C ATOM 378 C PRO A 748 1.928 10.868 2.421 1.00 1.00 C ATOM 379 O PRO A 748 0.809 11.327 2.195 1.00 1.00 O ATOM 380 CB PRO A 748 2.586 11.086 4.784 1.00 1.00 C ATOM 381 CG PRO A 748 3.805 10.475 5.461 1.00 1.00 C ATOM 382 CD PRO A 748 4.338 9.452 4.473 1.00 1.00 C ATOM 0 HA PRO A 748 1.232 9.556 3.949 1.00 1.00 H new ATOM 0 HB2 PRO A 748 2.828 12.052 4.341 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.785 11.257 5.503 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.554 11.235 5.684 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.536 10.006 6.407 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.170 9.863 3.900 1.00 1.00 H new ATOM 0 HD3 PRO A 748 4.713 8.570 4.992 1.00 1.00 H new ATOM 390 N SER A 749 2.976 11.015 1.606 1.00 1.00 N ATOM 391 CA SER A 749 3.097 11.788 0.377 1.00 1.00 C ATOM 392 C SER A 749 1.988 11.600 -0.650 1.00 1.00 C ATOM 393 O SER A 749 1.888 12.397 -1.584 1.00 1.00 O ATOM 394 CB SER A 749 4.416 11.358 -0.266 1.00 1.00 C ATOM 395 OG SER A 749 5.471 11.514 0.657 1.00 1.00 O ATOM 0 H SER A 749 3.854 10.541 1.819 1.00 1.00 H new ATOM 0 HA SER A 749 3.039 12.839 0.659 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.353 10.318 -0.587 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.609 11.956 -1.157 1.00 1.00 H new ATOM 0 HG SER A 749 6.313 11.236 0.241 1.00 1.00 H new ATOM 401 N LEU A 750 1.195 10.542 -0.527 1.00 1.00 N ATOM 402 CA LEU A 750 0.162 10.186 -1.474 1.00 1.00 C ATOM 403 C LEU A 750 -0.853 11.316 -1.495 1.00 1.00 C ATOM 404 O LEU A 750 -1.518 11.584 -0.489 1.00 1.00 O ATOM 405 CB LEU A 750 -0.455 8.841 -1.069 1.00 1.00 C ATOM 406 CG LEU A 750 0.337 7.568 -1.452 1.00 1.00 C ATOM 407 CD1 LEU A 750 1.806 7.795 -1.717 1.00 1.00 C ATOM 408 CD2 LEU A 750 0.151 6.474 -0.410 1.00 1.00 C ATOM 0 H LEU A 750 1.260 9.894 0.258 1.00 1.00 H new ATOM 0 HA LEU A 750 0.558 10.060 -2.482 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.594 8.843 0.012 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.446 8.773 -1.518 1.00 1.00 H new ATOM 0 HG LEU A 750 -0.089 7.248 -2.403 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.279 6.848 -1.978 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.923 8.498 -2.542 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.278 8.203 -0.823 1.00 1.00 H new ATOM 0 HD21 LEU A 750 0.718 5.591 -0.704 1.00 1.00 H new ATOM 0 HD22 LEU A 750 0.507 6.828 0.557 1.00 1.00 H new ATOM 0 HD23 LEU A 750 -0.906 6.218 -0.336 1.00 1.00 H new ATOM 420 N ASN A 751 -0.938 12.000 -2.637 1.00 1.00 N ATOM 421 CA ASN A 751 -1.779 13.176 -2.782 1.00 1.00 C ATOM 422 C ASN A 751 -3.225 12.727 -2.687 1.00 1.00 C ATOM 423 O ASN A 751 -3.908 12.985 -1.697 1.00 1.00 O ATOM 424 CB ASN A 751 -1.466 13.894 -4.092 1.00 1.00 C ATOM 425 CG ASN A 751 -0.223 14.755 -3.962 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.864 14.379 -4.384 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.352 15.912 -3.344 1.00 1.00 N ATOM 0 H ASN A 751 -0.425 11.750 -3.482 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.586 13.899 -1.989 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.323 13.161 -4.886 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.314 14.515 -4.381 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.462 16.512 -3.210 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -1.266 16.207 -3.000 1.00 1.00 H new ATOM 434 N SER A 752 -3.718 12.038 -3.705 1.00 1.00 N ATOM 435 CA SER A 752 -5.045 11.449 -3.695 1.00 1.00 C ATOM 436 C SER A 752 -4.991 10.159 -4.493 1.00 1.00 C ATOM 437 O SER A 752 -5.197 9.075 -3.949 1.00 1.00 O ATOM 438 CB SER A 752 -6.085 12.435 -4.229 1.00 1.00 C ATOM 439 OG SER A 752 -6.089 13.626 -3.453 1.00 1.00 O ATOM 0 H SER A 752 -3.202 11.871 -4.569 1.00 1.00 H new ATOM 0 HA SER A 752 -5.356 11.217 -2.676 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.867 12.673 -5.270 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.074 11.977 -4.207 1.00 1.00 H new ATOM 0 HG SER A 752 -6.759 14.246 -3.809 1.00 1.00 H new ATOM 445 N HIS A 753 -4.654 10.281 -5.776 1.00 1.00 N ATOM 446 CA HIS A 753 -4.626 9.152 -6.683 1.00 1.00 C ATOM 447 C HIS A 753 -3.614 8.100 -6.244 1.00 1.00 C ATOM 448 O HIS A 753 -3.895 6.921 -6.422 1.00 1.00 O ATOM 449 CB HIS A 753 -4.421 9.625 -8.121 1.00 1.00 C ATOM 450 CG HIS A 753 -5.631 10.368 -8.628 1.00 1.00 C ATOM 451 ND1 HIS A 753 -5.797 11.736 -8.677 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.795 9.793 -9.055 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.035 11.984 -9.132 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.686 10.830 -9.346 1.00 1.00 N ATOM 0 H HIS A 753 -4.394 11.168 -6.208 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.596 8.655 -6.649 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.546 10.272 -8.172 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.222 8.768 -8.764 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -6.990 8.735 -9.150 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.447 12.968 -9.301 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -8.651 10.729 -9.662 1.00 1.00 H new ATOM 462 N ASP A 754 -2.478 8.469 -5.638 1.00 1.00 N ATOM 463 CA ASP A 754 -1.483 7.523 -5.194 1.00 1.00 C ATOM 464 C ASP A 754 -2.084 6.660 -4.082 1.00 1.00 C ATOM 465 O ASP A 754 -1.957 5.440 -4.103 1.00 1.00 O ATOM 466 CB ASP A 754 -0.277 8.323 -4.690 1.00 1.00 C ATOM 467 CG ASP A 754 0.144 9.478 -5.588 1.00 1.00 C ATOM 468 OD1 ASP A 754 0.889 9.267 -6.573 1.00 1.00 O ATOM 469 OD2 ASP A 754 -0.395 10.583 -5.332 1.00 1.00 O ATOM 0 H ASP A 754 -2.235 9.441 -5.448 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.165 6.862 -6.000 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.508 8.717 -3.700 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.568 7.645 -4.574 1.00 1.00 H new ATOM 474 N ARG A 755 -2.788 7.285 -3.127 1.00 1.00 N ATOM 475 CA ARG A 755 -3.405 6.606 -1.988 1.00 1.00 C ATOM 476 C ARG A 755 -4.462 5.657 -2.506 1.00 1.00 C ATOM 477 O ARG A 755 -4.423 4.466 -2.207 1.00 1.00 O ATOM 478 CB ARG A 755 -4.018 7.630 -1.012 1.00 1.00 C ATOM 479 CG ARG A 755 -4.559 6.955 0.256 1.00 1.00 C ATOM 480 CD ARG A 755 -4.946 7.979 1.336 1.00 1.00 C ATOM 481 NE ARG A 755 -3.832 8.873 1.711 1.00 1.00 N ATOM 482 CZ ARG A 755 -2.713 8.548 2.368 1.00 1.00 C ATOM 483 NH1 ARG A 755 -2.556 7.344 2.908 1.00 1.00 N ATOM 484 NH2 ARG A 755 -1.737 9.440 2.461 1.00 1.00 N ATOM 0 H ARG A 755 -2.945 8.293 -3.128 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.648 6.044 -1.440 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -3.264 8.367 -0.738 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.824 8.169 -1.509 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.430 6.351 0.001 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.805 6.276 0.654 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -5.781 8.580 0.976 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -5.293 7.449 2.223 1.00 1.00 H new ATOM 0 HE ARG A 755 -3.927 9.851 1.438 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -3.297 6.648 2.826 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -1.695 7.116 3.405 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -1.845 10.360 2.035 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -0.878 9.206 2.959 1.00 1.00 H new ATOM 498 N LEU A 756 -5.397 6.206 -3.280 1.00 1.00 N ATOM 499 CA LEU A 756 -6.467 5.465 -3.914 1.00 1.00 C ATOM 500 C LEU A 756 -5.899 4.257 -4.647 1.00 1.00 C ATOM 501 O LEU A 756 -6.363 3.144 -4.424 1.00 1.00 O ATOM 502 CB LEU A 756 -7.267 6.397 -4.810 1.00 1.00 C ATOM 503 CG LEU A 756 -8.285 5.702 -5.729 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.365 4.970 -4.929 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.946 6.745 -6.633 1.00 1.00 C ATOM 0 H LEU A 756 -5.425 7.205 -3.484 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.158 5.074 -3.167 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.797 7.113 -4.182 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.573 6.967 -5.428 1.00 1.00 H new ATOM 0 HG LEU A 756 -7.749 4.964 -6.326 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.065 4.492 -5.615 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.900 4.212 -4.299 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.901 5.684 -4.303 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.668 6.255 -7.286 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.456 7.487 -6.019 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -8.185 7.237 -7.239 1.00 1.00 H new ATOM 517 N ARG A 757 -4.880 4.443 -5.488 1.00 1.00 N ATOM 518 CA ARG A 757 -4.342 3.335 -6.256 1.00 1.00 C ATOM 519 C ARG A 757 -3.702 2.302 -5.342 1.00 1.00 C ATOM 520 O ARG A 757 -3.957 1.123 -5.554 1.00 1.00 O ATOM 521 CB ARG A 757 -3.390 3.821 -7.348 1.00 1.00 C ATOM 522 CG ARG A 757 -3.231 2.775 -8.463 1.00 1.00 C ATOM 523 CD ARG A 757 -4.485 2.674 -9.348 1.00 1.00 C ATOM 524 NE ARG A 757 -4.657 1.330 -9.924 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.822 0.737 -10.217 1.00 1.00 C ATOM 526 NH1 ARG A 757 -6.994 1.307 -9.962 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.816 -0.458 -10.773 1.00 1.00 N ATOM 0 H ARG A 757 -4.421 5.339 -5.649 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.169 2.841 -6.766 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.766 4.752 -7.772 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.416 4.040 -6.912 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.372 3.034 -9.082 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.023 1.802 -8.019 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.365 2.929 -8.757 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.418 3.406 -10.153 1.00 1.00 H new ATOM 0 HE ARG A 757 -3.808 0.800 -10.119 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -7.029 2.229 -9.528 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -7.859 0.823 -10.200 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -4.930 -0.922 -10.976 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -6.697 -0.919 -11.000 1.00 1.00 H new ATOM 541 N VAL A 758 -2.913 2.692 -4.338 1.00 1.00 N ATOM 542 CA VAL A 758 -2.334 1.729 -3.396 1.00 1.00 C ATOM 543 C VAL A 758 -3.454 0.861 -2.800 1.00 1.00 C ATOM 544 O VAL A 758 -3.322 -0.366 -2.799 1.00 1.00 O ATOM 545 CB VAL A 758 -1.452 2.449 -2.350 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.025 1.547 -1.181 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.153 2.962 -3.000 1.00 1.00 C ATOM 0 H VAL A 758 -2.661 3.663 -4.156 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.658 1.047 -3.912 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.073 3.260 -1.969 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.409 2.118 -0.487 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.911 1.180 -0.663 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.452 0.702 -1.564 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.455 3.466 -2.249 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.404 2.121 -3.413 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.398 3.663 -3.798 1.00 1.00 H new ATOM 557 N HIS A 759 -4.565 1.469 -2.362 1.00 1.00 N ATOM 558 CA HIS A 759 -5.725 0.728 -1.878 1.00 1.00 C ATOM 559 C HIS A 759 -6.262 -0.212 -2.955 1.00 1.00 C ATOM 560 O HIS A 759 -6.443 -1.386 -2.675 1.00 1.00 O ATOM 561 CB HIS A 759 -6.844 1.663 -1.403 1.00 1.00 C ATOM 562 CG HIS A 759 -6.542 2.366 -0.107 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.459 1.788 1.138 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.356 3.708 0.049 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.206 2.760 2.029 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.145 3.957 1.413 1.00 1.00 N ATOM 0 H HIS A 759 -4.679 2.482 -2.335 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.389 0.139 -1.025 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.032 2.409 -2.175 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.761 1.086 -1.287 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.369 4.448 -0.738 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.071 2.605 3.089 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -5.979 4.863 1.851 1.00 1.00 H new ATOM 574 N GLN A 760 -6.526 0.274 -4.166 1.00 1.00 N ATOM 575 CA GLN A 760 -7.131 -0.498 -5.243 1.00 1.00 C ATOM 576 C GLN A 760 -6.288 -1.718 -5.635 1.00 1.00 C ATOM 577 O GLN A 760 -6.842 -2.802 -5.802 1.00 1.00 O ATOM 578 CB GLN A 760 -7.358 0.439 -6.438 1.00 1.00 C ATOM 579 CG GLN A 760 -8.510 1.421 -6.186 1.00 1.00 C ATOM 580 CD GLN A 760 -8.724 2.389 -7.345 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.780 2.939 -7.913 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.964 2.598 -7.748 1.00 1.00 N ATOM 0 H GLN A 760 -6.320 1.238 -4.429 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.084 -0.900 -4.899 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.444 0.997 -6.641 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.574 -0.153 -7.327 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.428 0.860 -6.012 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.306 1.988 -5.278 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.740 2.138 -7.271 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.146 3.219 -8.536 1.00 1.00 H new ATOM 591 N ILE A 761 -4.972 -1.577 -5.825 1.00 1.00 N ATOM 592 CA ILE A 761 -4.055 -2.677 -6.084 1.00 1.00 C ATOM 593 C ILE A 761 -4.175 -3.676 -4.927 1.00 1.00 C ATOM 594 O ILE A 761 -4.362 -4.875 -5.145 1.00 1.00 O ATOM 595 CB ILE A 761 -2.632 -2.080 -6.215 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.593 -1.053 -7.365 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.568 -3.168 -6.449 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.266 -0.305 -7.527 1.00 1.00 C ATOM 0 H ILE A 761 -4.509 -0.668 -5.801 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.284 -3.210 -7.007 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.397 -1.586 -5.272 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.817 -1.569 -8.299 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.386 -0.323 -7.206 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.586 -2.704 -6.535 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.568 -3.864 -5.610 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.796 -3.708 -7.368 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.341 0.393 -8.361 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.044 0.245 -6.613 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.467 -1.020 -7.723 1.00 1.00 H new ATOM 610 N ALA A 762 -4.083 -3.179 -3.690 1.00 1.00 N ATOM 611 CA ALA A 762 -4.187 -4.008 -2.506 1.00 1.00 C ATOM 612 C ALA A 762 -5.500 -4.797 -2.461 1.00 1.00 C ATOM 613 O ALA A 762 -5.489 -5.989 -2.154 1.00 1.00 O ATOM 614 CB ALA A 762 -3.973 -3.118 -1.269 1.00 1.00 C ATOM 0 H ALA A 762 -3.934 -2.190 -3.491 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.410 -4.772 -2.525 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.048 -3.725 -0.367 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.985 -2.659 -1.317 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.734 -2.338 -1.246 1.00 1.00 H new ATOM 620 N GLU A 763 -6.604 -4.134 -2.779 1.00 1.00 N ATOM 621 CA GLU A 763 -7.952 -4.658 -2.726 1.00 1.00 C ATOM 622 C GLU A 763 -8.151 -5.731 -3.794 1.00 1.00 C ATOM 623 O GLU A 763 -8.733 -6.776 -3.502 1.00 1.00 O ATOM 624 CB GLU A 763 -8.919 -3.468 -2.939 1.00 1.00 C ATOM 625 CG GLU A 763 -10.398 -3.753 -2.635 1.00 1.00 C ATOM 626 CD GLU A 763 -11.165 -4.294 -3.846 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.197 -3.624 -4.910 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.743 -5.399 -3.753 1.00 1.00 O ATOM 0 H GLU A 763 -6.576 -3.165 -3.097 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.147 -5.130 -1.763 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.591 -2.639 -2.312 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.836 -3.137 -3.974 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.463 -4.473 -1.819 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.875 -2.836 -2.290 1.00 1.00 H new ATOM 635 N GLU A 764 -7.665 -5.483 -5.014 1.00 1.00 N ATOM 636 CA GLU A 764 -7.673 -6.383 -6.142 1.00 1.00 C ATOM 637 C GLU A 764 -6.941 -7.672 -5.794 1.00 1.00 C ATOM 638 O GLU A 764 -7.412 -8.761 -6.142 1.00 1.00 O ATOM 639 CB GLU A 764 -6.994 -5.646 -7.306 1.00 1.00 C ATOM 640 CG GLU A 764 -6.708 -6.586 -8.469 1.00 1.00 C ATOM 641 CD GLU A 764 -6.201 -5.868 -9.718 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.890 -4.940 -10.203 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.094 -6.215 -10.202 1.00 1.00 O ATOM 0 H GLU A 764 -7.231 -4.588 -5.241 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.689 -6.664 -6.418 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.633 -4.831 -7.644 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -6.062 -5.198 -6.961 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -5.968 -7.323 -8.157 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.618 -7.133 -8.717 1.00 1.00 H new ATOM 650 N HIS A 765 -5.771 -7.549 -5.168 1.00 1.00 N ATOM 651 CA HIS A 765 -5.007 -8.666 -4.687 1.00 1.00 C ATOM 652 C HIS A 765 -5.651 -9.173 -3.395 1.00 1.00 C ATOM 653 O HIS A 765 -6.863 -9.120 -3.184 1.00 1.00 O ATOM 654 CB HIS A 765 -3.554 -8.227 -4.520 1.00 1.00 C ATOM 655 CG HIS A 765 -2.916 -7.766 -5.798 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.988 -8.338 -7.049 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.123 -6.667 -5.887 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.230 -7.592 -7.865 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.693 -6.550 -7.208 1.00 1.00 N ATOM 0 H HIS A 765 -5.332 -6.647 -4.985 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.005 -9.499 -5.390 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.509 -7.420 -3.789 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.976 -9.057 -4.114 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.870 -6.000 -5.076 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.072 -7.801 -8.913 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -1.093 -5.822 -7.596 1.00 1.00 H new ATOM 667 N GLY A 766 -4.817 -9.705 -2.522 1.00 1.00 N ATOM 668 CA GLY A 766 -5.135 -10.190 -1.217 1.00 1.00 C ATOM 669 C GLY A 766 -4.409 -9.377 -0.168 1.00 1.00 C ATOM 670 O GLY A 766 -3.734 -9.962 0.683 1.00 1.00 O ATOM 0 H GLY A 766 -3.825 -9.812 -2.736 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.211 -10.133 -1.052 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.855 -11.240 -1.133 1.00 1.00 H new ATOM 674 N LEU A 767 -4.486 -8.041 -0.237 1.00 1.00 N ATOM 675 CA LEU A 767 -3.808 -7.220 0.748 1.00 1.00 C ATOM 676 C LEU A 767 -4.814 -6.530 1.649 1.00 1.00 C ATOM 677 O LEU A 767 -5.790 -5.939 1.185 1.00 1.00 O ATOM 678 CB LEU A 767 -2.927 -6.153 0.098 1.00 1.00 C ATOM 679 CG LEU A 767 -1.894 -6.603 -0.934 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.970 -5.450 -1.322 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.002 -7.692 -0.376 1.00 1.00 C ATOM 0 H LEU A 767 -5.001 -7.525 -0.951 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.175 -7.890 1.330 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.583 -5.426 -0.382 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.397 -5.628 0.893 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.458 -6.963 -1.795 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.244 -5.797 -2.058 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.560 -4.639 -1.749 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.446 -5.090 -0.437 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.277 -7.992 -1.133 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.476 -7.317 0.502 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.610 -8.552 -0.095 1.00 1.00 H new ATOM 693 N ARG A 768 -4.556 -6.572 2.952 1.00 1.00 N ATOM 694 CA ARG A 768 -5.360 -5.852 3.924 1.00 1.00 C ATOM 695 C ARG A 768 -4.761 -4.457 3.897 1.00 1.00 C ATOM 696 O ARG A 768 -3.561 -4.326 4.132 1.00 1.00 O ATOM 697 CB ARG A 768 -5.264 -6.517 5.304 1.00 1.00 C ATOM 698 CG ARG A 768 -6.205 -5.832 6.302 1.00 1.00 C ATOM 699 CD ARG A 768 -6.381 -6.682 7.562 1.00 1.00 C ATOM 700 NE ARG A 768 -7.353 -6.082 8.487 1.00 1.00 N ATOM 701 CZ ARG A 768 -8.674 -6.286 8.536 1.00 1.00 C ATOM 702 NH1 ARG A 768 -9.284 -7.079 7.668 1.00 1.00 N ATOM 703 NH2 ARG A 768 -9.398 -5.681 9.467 1.00 1.00 N ATOM 0 H ARG A 768 -3.787 -7.104 3.359 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.427 -5.841 3.700 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.519 -7.574 5.223 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.238 -6.464 5.668 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.806 -4.854 6.571 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.175 -5.662 5.835 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -6.712 -7.682 7.284 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.420 -6.793 8.064 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.974 -5.431 9.175 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -8.745 -7.550 6.941 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -10.293 -7.219 7.726 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -8.947 -5.063 10.142 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -10.406 -5.833 9.508 1.00 1.00 H new ATOM 717 N HIS A 769 -5.540 -3.441 3.555 1.00 1.00 N ATOM 718 CA HIS A 769 -5.078 -2.069 3.384 1.00 1.00 C ATOM 719 C HIS A 769 -5.701 -1.210 4.477 1.00 1.00 C ATOM 720 O HIS A 769 -6.885 -1.360 4.795 1.00 1.00 O ATOM 721 CB HIS A 769 -5.461 -1.571 1.976 1.00 1.00 C ATOM 722 CG HIS A 769 -6.859 -1.919 1.522 1.00 1.00 C ATOM 723 ND1 HIS A 769 -8.026 -1.291 1.894 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.196 -2.967 0.704 1.00 1.00 C ATOM 725 CE1 HIS A 769 -9.045 -1.926 1.293 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.590 -2.988 0.603 1.00 1.00 N ATOM 0 H HIS A 769 -6.540 -3.550 3.384 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.993 -2.009 3.471 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.348 -0.487 1.950 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.751 -1.983 1.258 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.510 -3.651 0.226 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -10.081 -1.627 1.355 1.00 1.00 H new ATOM 0 HE2 HIS A 769 -9.154 -3.676 0.103 1.00 1.00 H new ATOM 734 N ASP A 770 -4.912 -0.314 5.063 1.00 1.00 N ATOM 735 CA ASP A 770 -5.327 0.506 6.196 1.00 1.00 C ATOM 736 C ASP A 770 -4.454 1.758 6.327 1.00 1.00 C ATOM 737 O ASP A 770 -3.512 1.938 5.556 1.00 1.00 O ATOM 738 CB ASP A 770 -5.228 -0.362 7.470 1.00 1.00 C ATOM 739 CG ASP A 770 -6.176 0.064 8.589 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.891 1.077 8.423 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.291 -0.695 9.581 1.00 1.00 O ATOM 0 H ASP A 770 -3.955 -0.135 4.760 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.351 0.848 6.047 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.436 -1.399 7.207 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.204 -0.327 7.842 1.00 1.00 H new ATOM 746 N SER A 771 -4.766 2.644 7.274 1.00 1.00 N ATOM 747 CA SER A 771 -3.949 3.817 7.579 1.00 1.00 C ATOM 748 C SER A 771 -3.442 3.690 9.016 1.00 1.00 C ATOM 749 O SER A 771 -4.095 3.080 9.871 1.00 1.00 O ATOM 750 CB SER A 771 -4.708 5.123 7.350 1.00 1.00 C ATOM 751 OG SER A 771 -5.293 5.177 6.057 1.00 1.00 O ATOM 0 H SER A 771 -5.600 2.566 7.855 1.00 1.00 H new ATOM 0 HA SER A 771 -3.099 3.853 6.897 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.487 5.227 8.105 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.027 5.965 7.476 1.00 1.00 H new ATOM 0 HG SER A 771 -5.771 6.026 5.949 1.00 1.00 H new ATOM 757 N SER A 772 -2.309 4.319 9.299 1.00 1.00 N ATOM 758 CA SER A 772 -1.594 4.232 10.566 1.00 1.00 C ATOM 759 C SER A 772 -1.028 5.586 10.980 1.00 1.00 C ATOM 760 O SER A 772 -0.895 6.485 10.154 1.00 1.00 O ATOM 761 CB SER A 772 -0.440 3.248 10.356 1.00 1.00 C ATOM 762 OG SER A 772 -0.920 1.933 10.165 1.00 1.00 O ATOM 0 H SER A 772 -1.844 4.928 8.626 1.00 1.00 H new ATOM 0 HA SER A 772 -2.273 3.905 11.353 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.149 3.553 9.491 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.225 3.274 11.219 1.00 1.00 H new ATOM 0 HG SER A 772 -0.541 1.563 9.340 1.00 1.00 H new ATOM 768 N GLY A 773 -0.673 5.710 12.257 1.00 1.00 N ATOM 769 CA GLY A 773 -0.023 6.852 12.877 1.00 1.00 C ATOM 770 C GLY A 773 -0.661 7.175 14.229 1.00 1.00 C ATOM 771 O GLY A 773 -1.778 6.736 14.518 1.00 1.00 O ATOM 0 H GLY A 773 -0.846 4.961 12.928 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.038 6.643 13.012 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.096 7.718 12.220 1.00 1.00 H new ATOM 775 N GLU A 774 0.027 7.966 15.048 1.00 1.00 N ATOM 776 CA GLU A 774 -0.386 8.361 16.391 1.00 1.00 C ATOM 777 C GLU A 774 -0.533 9.884 16.397 1.00 1.00 C ATOM 778 O GLU A 774 -1.647 10.414 16.474 1.00 1.00 O ATOM 779 CB GLU A 774 0.664 7.835 17.391 1.00 1.00 C ATOM 780 CG GLU A 774 0.448 8.273 18.847 1.00 1.00 C ATOM 781 CD GLU A 774 -0.836 7.723 19.462 1.00 1.00 C ATOM 782 OE1 GLU A 774 -0.969 6.488 19.597 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.726 8.511 19.861 1.00 1.00 O ATOM 0 H GLU A 774 0.927 8.366 14.782 1.00 1.00 H new ATOM 0 HA GLU A 774 -1.345 7.937 16.687 1.00 1.00 H new ATOM 0 HB2 GLU A 774 0.668 6.746 17.352 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.650 8.169 17.069 1.00 1.00 H new ATOM 0 HG2 GLU A 774 1.298 7.947 19.447 1.00 1.00 H new ATOM 0 HG3 GLU A 774 0.426 9.362 18.891 1.00 1.00 H new ATOM 790 N GLY A 775 0.582 10.587 16.226 1.00 1.00 N ATOM 791 CA GLY A 775 0.646 12.025 16.099 1.00 1.00 C ATOM 792 C GLY A 775 0.677 12.414 14.626 1.00 1.00 C ATOM 793 O GLY A 775 0.121 11.734 13.756 1.00 1.00 O ATOM 0 H GLY A 775 1.500 10.145 16.171 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.216 12.481 16.586 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.535 12.404 16.603 1.00 1.00 H new ATOM 797 N LYS A 776 1.337 13.536 14.357 1.00 1.00 N ATOM 798 CA LYS A 776 1.494 14.216 13.075 1.00 1.00 C ATOM 799 C LYS A 776 2.375 13.450 12.070 1.00 1.00 C ATOM 800 O LYS A 776 3.160 14.079 11.356 1.00 1.00 O ATOM 801 CB LYS A 776 2.036 15.637 13.340 1.00 1.00 C ATOM 802 CG LYS A 776 1.148 16.462 14.287 1.00 1.00 C ATOM 803 CD LYS A 776 1.747 17.851 14.532 1.00 1.00 C ATOM 804 CE LYS A 776 0.785 18.722 15.343 1.00 1.00 C ATOM 805 NZ LYS A 776 1.298 20.093 15.514 1.00 1.00 N ATOM 0 H LYS A 776 1.821 14.039 15.100 1.00 1.00 H new ATOM 0 HA LYS A 776 0.515 14.267 12.598 1.00 1.00 H new ATOM 0 HB2 LYS A 776 3.037 15.563 13.765 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.131 16.165 12.391 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.150 16.563 13.860 1.00 1.00 H new ATOM 0 HG3 LYS A 776 1.037 15.938 15.236 1.00 1.00 H new ATOM 0 HD2 LYS A 776 2.694 17.755 15.063 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.964 18.332 13.578 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.183 18.756 14.843 1.00 1.00 H new ATOM 0 HE3 LYS A 776 0.623 18.270 16.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 0.618 20.651 16.068 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 2.210 20.063 16.013 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 1.429 20.534 14.581 1.00 1.00 H new ATOM 818 N ARG A 777 2.306 12.116 12.013 1.00 1.00 N ATOM 819 CA ARG A 777 2.996 11.273 11.035 1.00 1.00 C ATOM 820 C ARG A 777 2.041 10.150 10.633 1.00 1.00 C ATOM 821 O ARG A 777 2.252 8.998 11.012 1.00 1.00 O ATOM 822 CB ARG A 777 4.361 10.736 11.513 1.00 1.00 C ATOM 823 CG ARG A 777 5.486 11.785 11.546 1.00 1.00 C ATOM 824 CD ARG A 777 6.761 11.388 10.791 1.00 1.00 C ATOM 825 NE ARG A 777 7.354 10.115 11.242 1.00 1.00 N ATOM 826 CZ ARG A 777 8.112 9.307 10.488 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.461 9.663 9.255 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.499 8.133 10.963 1.00 1.00 N ATOM 0 H ARG A 777 1.747 11.575 12.672 1.00 1.00 H new ATOM 0 HA ARG A 777 3.252 11.886 10.171 1.00 1.00 H new ATOM 0 HB2 ARG A 777 4.242 10.318 12.513 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.664 9.918 10.859 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.107 12.716 11.125 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.745 11.987 12.585 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.533 11.314 9.728 1.00 1.00 H new ATOM 0 HD3 ARG A 777 7.500 12.181 10.904 1.00 1.00 H new ATOM 0 HE ARG A 777 7.173 9.827 12.204 1.00 1.00 H new ATOM 0 HH11 ARG A 777 8.151 10.558 8.876 1.00 1.00 H new ATOM 0 HH12 ARG A 777 9.038 9.041 8.689 1.00 1.00 H new ATOM 0 HH21 ARG A 777 8.220 7.845 11.901 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.076 7.516 10.391 1.00 1.00 H new ATOM 842 N ARG A 778 0.939 10.474 9.955 1.00 1.00 N ATOM 843 CA ARG A 778 0.021 9.460 9.425 1.00 1.00 C ATOM 844 C ARG A 778 0.617 8.908 8.131 1.00 1.00 C ATOM 845 O ARG A 778 1.228 9.679 7.391 1.00 1.00 O ATOM 846 CB ARG A 778 -1.368 10.068 9.174 1.00 1.00 C ATOM 847 CG ARG A 778 -2.426 9.056 8.682 1.00 1.00 C ATOM 848 CD ARG A 778 -3.678 8.996 9.561 1.00 1.00 C ATOM 849 NE ARG A 778 -3.431 8.304 10.839 1.00 1.00 N ATOM 850 CZ ARG A 778 -4.116 7.264 11.339 1.00 1.00 C ATOM 851 NH1 ARG A 778 -5.156 6.717 10.711 1.00 1.00 N ATOM 852 NH2 ARG A 778 -3.767 6.739 12.505 1.00 1.00 N ATOM 0 H ARG A 778 0.658 11.435 9.758 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.104 8.653 10.147 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.723 10.527 10.097 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.275 10.865 8.437 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.719 9.316 7.665 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -1.975 8.065 8.640 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.028 10.009 9.760 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.474 8.484 9.021 1.00 1.00 H new ATOM 0 HE ARG A 778 -2.657 8.653 11.404 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.461 7.088 9.811 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -5.647 5.927 11.130 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -2.978 7.126 13.023 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -4.288 5.949 12.885 1.00 1.00 H new ATOM 866 N PHE A 779 0.418 7.628 7.828 1.00 1.00 N ATOM 867 CA PHE A 779 0.874 6.943 6.619 1.00 1.00 C ATOM 868 C PHE A 779 -0.108 5.803 6.282 1.00 1.00 C ATOM 869 O PHE A 779 -1.089 5.604 7.004 1.00 1.00 O ATOM 870 CB PHE A 779 2.321 6.453 6.838 1.00 1.00 C ATOM 871 CG PHE A 779 2.550 5.630 8.093 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.836 6.275 9.312 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.468 4.227 8.056 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.980 5.534 10.496 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.648 3.484 9.234 1.00 1.00 C ATOM 876 CZ PHE A 779 2.891 4.133 10.455 1.00 1.00 C ATOM 0 H PHE A 779 -0.094 7.005 8.453 1.00 1.00 H new ATOM 0 HA PHE A 779 0.887 7.616 5.762 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.619 5.858 5.975 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.979 7.321 6.869 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.946 7.349 9.336 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.267 3.721 7.123 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.158 6.039 11.434 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.599 2.406 9.200 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.009 3.556 11.360 1.00 1.00 H new ATOM 886 N ILE A 780 0.099 5.102 5.160 1.00 1.00 N ATOM 887 CA ILE A 780 -0.666 3.915 4.743 1.00 1.00 C ATOM 888 C ILE A 780 0.082 2.649 5.110 1.00 1.00 C ATOM 889 O ILE A 780 1.304 2.613 5.045 1.00 1.00 O ATOM 890 CB ILE A 780 -1.147 3.989 3.269 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.696 2.673 2.647 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.183 4.703 2.331 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.767 2.891 1.576 1.00 1.00 C ATOM 0 H ILE A 780 0.829 5.353 4.493 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.599 3.890 5.306 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.028 4.623 3.368 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -0.867 2.116 2.210 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -2.112 2.053 3.442 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.595 4.710 1.322 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.037 5.728 2.671 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.775 4.182 2.328 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.099 1.927 1.192 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.615 3.419 2.012 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -2.351 3.483 0.761 1.00 1.00 H new ATOM 905 N THR A 781 -0.668 1.612 5.450 1.00 1.00 N ATOM 906 CA THR A 781 -0.185 0.286 5.745 1.00 1.00 C ATOM 907 C THR A 781 -0.943 -0.678 4.848 1.00 1.00 C ATOM 908 O THR A 781 -2.152 -0.557 4.647 1.00 1.00 O ATOM 909 CB THR A 781 -0.444 -0.001 7.231 1.00 1.00 C ATOM 910 OG1 THR A 781 0.341 0.888 7.994 1.00 1.00 O ATOM 911 CG2 THR A 781 -0.115 -1.450 7.608 1.00 1.00 C ATOM 0 H THR A 781 -1.682 1.684 5.530 1.00 1.00 H new ATOM 0 HA THR A 781 0.884 0.181 5.561 1.00 1.00 H new ATOM 0 HB THR A 781 -1.505 0.143 7.435 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.876 1.449 7.394 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.314 -1.604 8.668 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.733 -2.128 7.020 1.00 1.00 H new ATOM 0 HG23 THR A 781 0.937 -1.649 7.404 1.00 1.00 H new ATOM 919 N VAL A 782 -0.235 -1.651 4.302 1.00 1.00 N ATOM 920 CA VAL A 782 -0.777 -2.732 3.511 1.00 1.00 C ATOM 921 C VAL A 782 -0.070 -4.010 3.935 1.00 1.00 C ATOM 922 O VAL A 782 1.142 -4.010 4.140 1.00 1.00 O ATOM 923 CB VAL A 782 -0.710 -2.454 1.996 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.863 -1.580 1.513 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.530 -1.651 1.592 1.00 1.00 C ATOM 0 H VAL A 782 0.778 -1.708 4.405 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.845 -2.839 3.700 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.721 -3.452 1.558 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.769 -1.414 0.440 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.810 -2.079 1.722 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.835 -0.622 2.032 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.522 -1.487 0.515 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.524 -0.690 2.106 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.428 -2.204 1.868 1.00 1.00 H new ATOM 935 N SER A 783 -0.826 -5.096 4.075 1.00 1.00 N ATOM 936 CA SER A 783 -0.300 -6.369 4.549 1.00 1.00 C ATOM 937 C SER A 783 -0.730 -7.494 3.633 1.00 1.00 C ATOM 938 O SER A 783 -1.857 -7.507 3.152 1.00 1.00 O ATOM 939 CB SER A 783 -0.720 -6.671 5.985 1.00 1.00 C ATOM 940 OG SER A 783 -0.506 -5.567 6.843 1.00 1.00 O ATOM 0 H SER A 783 -1.823 -5.116 3.862 1.00 1.00 H new ATOM 0 HA SER A 783 0.787 -6.289 4.537 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.775 -6.946 6.004 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.160 -7.530 6.353 1.00 1.00 H new ATOM 0 HG SER A 783 -0.789 -5.800 7.752 1.00 1.00 H new ATOM 946 N LYS A 784 0.172 -8.440 3.409 1.00 1.00 N ATOM 947 CA LYS A 784 0.025 -9.584 2.523 1.00 1.00 C ATOM 948 C LYS A 784 -0.694 -10.688 3.255 1.00 1.00 C ATOM 949 O LYS A 784 -0.202 -11.122 4.300 1.00 1.00 O ATOM 950 CB LYS A 784 1.410 -10.062 2.077 1.00 1.00 C ATOM 951 CG LYS A 784 1.948 -9.203 0.923 1.00 1.00 C ATOM 952 CD LYS A 784 1.864 -9.869 -0.461 1.00 1.00 C ATOM 953 CE LYS A 784 0.549 -10.597 -0.790 1.00 1.00 C ATOM 954 NZ LYS A 784 0.742 -11.676 -1.773 1.00 1.00 N ATOM 0 H LYS A 784 1.082 -8.427 3.870 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.553 -9.302 1.643 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.101 -10.019 2.919 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.354 -11.104 1.763 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.393 -8.265 0.895 1.00 1.00 H new ATOM 0 HG3 LYS A 784 2.988 -8.951 1.129 1.00 1.00 H new ATOM 0 HD2 LYS A 784 2.030 -9.104 -1.219 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.682 -10.585 -0.546 1.00 1.00 H new ATOM 0 HE2 LYS A 784 0.127 -11.013 0.125 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.174 -9.880 -1.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.112 -12.471 -1.544 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.520 -11.322 -2.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.730 -11.998 -1.745 1.00 1.00 H new ATOM 967 N ARG A 785 -1.854 -11.124 2.758 1.00 1.00 N ATOM 968 CA ARG A 785 -2.496 -12.269 3.383 1.00 1.00 C ATOM 969 C ARG A 785 -1.600 -13.448 2.998 1.00 1.00 C ATOM 970 O ARG A 785 -1.506 -13.795 1.816 1.00 1.00 O ATOM 971 CB ARG A 785 -3.935 -12.387 2.842 1.00 1.00 C ATOM 972 CG ARG A 785 -4.834 -11.273 3.417 1.00 1.00 C ATOM 973 CD ARG A 785 -6.167 -11.153 2.668 1.00 1.00 C ATOM 974 NE ARG A 785 -6.907 -9.943 3.085 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.465 -9.028 2.275 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.547 -9.229 0.966 1.00 1.00 N ATOM 977 NH2 ARG A 785 -7.945 -7.899 2.784 1.00 1.00 N ATOM 0 H ARG A 785 -2.345 -10.720 1.961 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.595 -12.206 4.467 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.925 -12.326 1.754 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.347 -13.362 3.102 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.029 -11.475 4.470 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.305 -10.321 3.367 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -5.982 -11.118 1.594 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.775 -12.038 2.858 1.00 1.00 H new ATOM 0 HE ARG A 785 -7.004 -9.787 4.088 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -7.183 -10.090 0.558 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -7.974 -8.522 0.367 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -7.890 -7.728 3.788 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -8.369 -7.203 2.171 1.00 1.00 H new ATOM 991 N ALA A 786 -0.927 -14.043 3.983 1.00 1.00 N ATOM 992 CA ALA A 786 -0.108 -15.228 3.812 1.00 1.00 C ATOM 993 C ALA A 786 -1.055 -16.402 3.728 1.00 1.00 C ATOM 994 O ALA A 786 -1.139 -17.011 2.644 1.00 1.00 O ATOM 995 CB ALA A 786 0.881 -15.380 4.975 1.00 1.00 C ATOM 0 H ALA A 786 -0.941 -13.700 4.944 1.00 1.00 H new ATOM 0 HA ALA A 786 0.495 -15.163 2.907 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.484 -16.275 4.825 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.532 -14.507 5.016 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.331 -15.466 5.912 1.00 1.00 H new