USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 497 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 759 HIS : no HD1:sc= -2.35 K(o=-2.9,f=-6!) USER MOD Set 1.2: A 769 HIS : no HE2:sc= -0.529 K(o=-2.9,f=-4.2) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 732 MET CE :methyl 167:sc= -0.0136 (180deg=-0.215) USER MOD Single : A 737 MET CE :methyl -164:sc= -0.327 (180deg=-0.644) USER MOD Single : A 739 SER OG : rot 180:sc= 0 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= -0.561 (180deg=-0.931) USER MOD Single : A 743 GLN : amide:sc= 0.442 K(o=0.44,f=-7.2!) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0975 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= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 760 GLN : amide:sc= 0.624 K(o=0.62,f=-4.7!) USER MOD Single : A 765 HIS : no HE2:sc= -0.215 X(o=-0.22,f=-0.18) USER MOD Single : A 771 SER OG : rot 2:sc= 0.25 USER MOD Single : A 772 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.015) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 164:sc= -0.0436 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.494 6.950 -13.325 1.00 1.00 N ATOM 2 CA GLY A 725 -2.354 6.039 -12.191 1.00 1.00 C ATOM 3 C GLY A 725 -0.897 5.666 -12.066 1.00 1.00 C ATOM 4 O GLY A 725 -0.301 5.212 -13.040 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.705 6.515 -11.275 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.963 5.148 -12.341 1.00 1.00 H new ATOM 8 N VAL A 726 -0.300 5.884 -10.898 1.00 1.00 N ATOM 9 CA VAL A 726 1.117 5.615 -10.690 1.00 1.00 C ATOM 10 C VAL A 726 1.343 4.101 -10.765 1.00 1.00 C ATOM 11 O VAL A 726 0.665 3.332 -10.077 1.00 1.00 O ATOM 12 CB VAL A 726 1.584 6.234 -9.376 1.00 1.00 C ATOM 13 CG1 VAL A 726 3.088 6.044 -9.155 1.00 1.00 C ATOM 14 CG2 VAL A 726 1.261 7.733 -9.286 1.00 1.00 C ATOM 0 H VAL A 726 -0.781 6.249 -10.076 1.00 1.00 H new ATOM 0 HA VAL A 726 1.721 6.078 -11.470 1.00 1.00 H new ATOM 0 HB VAL A 726 1.034 5.706 -8.597 1.00 1.00 H new ATOM 0 HG11 VAL A 726 3.377 6.500 -8.208 1.00 1.00 H new ATOM 0 HG12 VAL A 726 3.321 4.979 -9.131 1.00 1.00 H new ATOM 0 HG13 VAL A 726 3.638 6.517 -9.968 1.00 1.00 H new ATOM 0 HG21 VAL A 726 1.614 8.125 -8.332 1.00 1.00 H new ATOM 0 HG22 VAL A 726 1.756 8.261 -10.101 1.00 1.00 H new ATOM 0 HG23 VAL A 726 0.183 7.878 -9.361 1.00 1.00 H new ATOM 24 N ASP A 727 2.270 3.663 -11.615 1.00 1.00 N ATOM 25 CA ASP A 727 2.668 2.263 -11.749 1.00 1.00 C ATOM 26 C ASP A 727 3.909 1.947 -10.915 1.00 1.00 C ATOM 27 O ASP A 727 4.144 0.779 -10.618 1.00 1.00 O ATOM 28 CB ASP A 727 2.903 1.899 -13.213 1.00 1.00 C ATOM 29 CG ASP A 727 2.952 0.380 -13.383 1.00 1.00 C ATOM 30 OD1 ASP A 727 1.889 -0.261 -13.265 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.025 -0.177 -13.706 1.00 1.00 O ATOM 0 H ASP A 727 2.777 4.286 -12.244 1.00 1.00 H new ATOM 0 HA ASP A 727 1.847 1.656 -11.368 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.107 2.315 -13.830 1.00 1.00 H new ATOM 0 HB3 ASP A 727 3.838 2.340 -13.559 1.00 1.00 H new ATOM 36 N HIS A 728 4.665 2.964 -10.466 1.00 1.00 N ATOM 37 CA HIS A 728 5.806 2.764 -9.565 1.00 1.00 C ATOM 38 C HIS A 728 5.336 1.973 -8.339 1.00 1.00 C ATOM 39 O HIS A 728 5.943 0.969 -7.962 1.00 1.00 O ATOM 40 CB HIS A 728 6.419 4.102 -9.112 1.00 1.00 C ATOM 41 CG HIS A 728 7.101 4.891 -10.200 1.00 1.00 C ATOM 42 ND1 HIS A 728 8.289 4.558 -10.808 1.00 1.00 N ATOM 43 CD2 HIS A 728 6.702 6.101 -10.704 1.00 1.00 C ATOM 44 CE1 HIS A 728 8.599 5.540 -11.669 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.648 6.491 -11.661 1.00 1.00 N ATOM 0 H HIS A 728 4.502 3.939 -10.717 1.00 1.00 H new ATOM 0 HA HIS A 728 6.577 2.214 -10.105 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.631 4.717 -8.678 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.142 3.904 -8.320 1.00 1.00 H new ATOM 0 HD2 HIS A 728 5.820 6.653 -10.416 1.00 1.00 H new ATOM 0 HE1 HIS A 728 9.488 5.563 -12.282 1.00 1.00 H new ATOM 0 HE2 HIS A 728 7.621 7.331 -12.238 1.00 1.00 H new ATOM 53 N PHE A 729 4.206 2.394 -7.753 1.00 1.00 N ATOM 54 CA PHE A 729 3.602 1.671 -6.649 1.00 1.00 C ATOM 55 C PHE A 729 3.260 0.262 -7.088 1.00 1.00 C ATOM 56 O PHE A 729 3.612 -0.654 -6.366 1.00 1.00 O ATOM 57 CB PHE A 729 2.341 2.352 -6.102 1.00 1.00 C ATOM 58 CG PHE A 729 2.465 3.833 -5.831 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.642 4.379 -5.282 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.394 4.675 -6.174 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.765 5.769 -5.137 1.00 1.00 C ATOM 62 CE2 PHE A 729 1.521 6.062 -6.031 1.00 1.00 C ATOM 63 CZ PHE A 729 2.714 6.612 -5.534 1.00 1.00 C ATOM 0 H PHE A 729 3.699 3.234 -8.033 1.00 1.00 H new ATOM 0 HA PHE A 729 4.336 1.657 -5.843 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.529 2.197 -6.813 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.053 1.854 -5.176 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.448 3.729 -4.974 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.473 4.253 -6.548 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.668 6.191 -4.720 1.00 1.00 H new ATOM 0 HE2 PHE A 729 0.701 6.710 -6.303 1.00 1.00 H new ATOM 0 HZ PHE A 729 2.823 7.684 -5.457 1.00 1.00 H new ATOM 73 N ARG A 730 2.607 0.058 -8.241 1.00 1.00 N ATOM 74 CA ARG A 730 2.248 -1.290 -8.675 1.00 1.00 C ATOM 75 C ARG A 730 3.480 -2.177 -8.669 1.00 1.00 C ATOM 76 O ARG A 730 3.412 -3.231 -8.059 1.00 1.00 O ATOM 77 CB ARG A 730 1.534 -1.306 -10.039 1.00 1.00 C ATOM 78 CG ARG A 730 0.863 -2.671 -10.289 1.00 1.00 C ATOM 79 CD ARG A 730 0.144 -2.713 -11.642 1.00 1.00 C ATOM 80 NE ARG A 730 -0.710 -3.908 -11.771 1.00 1.00 N ATOM 81 CZ ARG A 730 -1.673 -4.103 -12.683 1.00 1.00 C ATOM 82 NH1 ARG A 730 -1.822 -3.281 -13.720 1.00 1.00 N ATOM 83 NH2 ARG A 730 -2.502 -5.129 -12.551 1.00 1.00 N ATOM 0 H ARG A 730 2.322 0.801 -8.879 1.00 1.00 H new ATOM 0 HA ARG A 730 1.526 -1.689 -7.963 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.784 -0.516 -10.071 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.251 -1.097 -10.833 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.616 -3.458 -10.253 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.149 -2.876 -9.491 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -0.465 -1.817 -11.758 1.00 1.00 H new ATOM 0 HD3 ARG A 730 0.880 -2.704 -12.446 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.553 -4.660 -11.100 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -1.196 -2.483 -13.833 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -2.562 -3.449 -14.402 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -2.405 -5.764 -11.759 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -3.237 -5.283 -13.241 1.00 1.00 H new ATOM 97 N ALA A 731 4.605 -1.759 -9.245 1.00 1.00 N ATOM 98 CA ALA A 731 5.806 -2.581 -9.218 1.00 1.00 C ATOM 99 C ALA A 731 6.305 -2.844 -7.796 1.00 1.00 C ATOM 100 O ALA A 731 6.716 -3.973 -7.514 1.00 1.00 O ATOM 101 CB ALA A 731 6.892 -1.944 -10.091 1.00 1.00 C ATOM 0 H ALA A 731 4.707 -0.867 -9.729 1.00 1.00 H new ATOM 0 HA ALA A 731 5.552 -3.558 -9.630 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.788 -2.564 -10.067 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.534 -1.864 -11.117 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.128 -0.950 -9.711 1.00 1.00 H new ATOM 107 N MET A 732 6.263 -1.861 -6.893 1.00 1.00 N ATOM 108 CA MET A 732 6.625 -2.095 -5.501 1.00 1.00 C ATOM 109 C MET A 732 5.701 -3.139 -4.876 1.00 1.00 C ATOM 110 O MET A 732 6.172 -4.110 -4.285 1.00 1.00 O ATOM 111 CB MET A 732 6.564 -0.797 -4.695 1.00 1.00 C ATOM 112 CG MET A 732 7.663 0.201 -5.059 1.00 1.00 C ATOM 113 SD MET A 732 7.564 1.777 -4.166 1.00 1.00 S ATOM 114 CE MET A 732 7.880 1.225 -2.464 1.00 1.00 C ATOM 0 H MET A 732 5.983 -0.903 -7.103 1.00 1.00 H new ATOM 0 HA MET A 732 7.649 -2.469 -5.479 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.593 -0.328 -4.851 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.637 -1.034 -3.634 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.633 -0.256 -4.861 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.617 0.400 -6.130 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.081 2.090 -1.832 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.006 0.694 -2.085 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.743 0.559 -2.452 1.00 1.00 H new ATOM 124 N ILE A 733 4.384 -2.951 -5.002 1.00 1.00 N ATOM 125 CA ILE A 733 3.417 -3.861 -4.415 1.00 1.00 C ATOM 126 C ILE A 733 3.537 -5.238 -5.066 1.00 1.00 C ATOM 127 O ILE A 733 3.408 -6.232 -4.365 1.00 1.00 O ATOM 128 CB ILE A 733 1.969 -3.293 -4.391 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.914 -1.853 -3.836 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.097 -4.153 -3.472 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.562 -1.262 -3.423 1.00 1.00 C ATOM 0 H ILE A 733 3.969 -2.170 -5.510 1.00 1.00 H new ATOM 0 HA ILE A 733 3.658 -3.979 -3.359 1.00 1.00 H new ATOM 0 HB ILE A 733 1.614 -3.299 -5.421 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.570 -1.811 -2.966 1.00 1.00 H new ATOM 0 HG13 ILE A 733 2.343 -1.194 -4.591 1.00 1.00 H new ATOM 0 HG21 ILE A 733 0.083 -3.755 -3.456 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.078 -5.178 -3.843 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.508 -4.140 -2.463 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.706 -0.246 -3.057 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.106 -1.246 -4.284 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.123 -1.873 -2.634 1.00 1.00 H new ATOM 143 N VAL A 734 3.829 -5.338 -6.357 1.00 1.00 N ATOM 144 CA VAL A 734 4.017 -6.610 -7.041 1.00 1.00 C ATOM 145 C VAL A 734 5.264 -7.334 -6.519 1.00 1.00 C ATOM 146 O VAL A 734 5.248 -8.565 -6.387 1.00 1.00 O ATOM 147 CB VAL A 734 3.963 -6.381 -8.562 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.417 -7.597 -9.368 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.504 -6.084 -8.960 1.00 1.00 C ATOM 0 H VAL A 734 3.943 -4.527 -6.965 1.00 1.00 H new ATOM 0 HA VAL A 734 3.203 -7.300 -6.818 1.00 1.00 H new ATOM 0 HB VAL A 734 4.638 -5.555 -8.784 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.356 -7.371 -10.433 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.447 -7.842 -9.108 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.773 -8.446 -9.139 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.447 -5.919 -10.036 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.873 -6.931 -8.689 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.159 -5.192 -8.437 1.00 1.00 H new ATOM 159 N GLU A 735 6.341 -6.616 -6.187 1.00 1.00 N ATOM 160 CA GLU A 735 7.494 -7.268 -5.582 1.00 1.00 C ATOM 161 C GLU A 735 7.092 -7.775 -4.198 1.00 1.00 C ATOM 162 O GLU A 735 7.315 -8.938 -3.871 1.00 1.00 O ATOM 163 CB GLU A 735 8.689 -6.319 -5.526 1.00 1.00 C ATOM 164 CG GLU A 735 9.944 -7.101 -5.129 1.00 1.00 C ATOM 165 CD GLU A 735 11.190 -6.274 -5.400 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.639 -6.232 -6.568 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.693 -5.612 -4.463 1.00 1.00 O ATOM 0 H GLU A 735 6.434 -5.610 -6.324 1.00 1.00 H new ATOM 0 HA GLU A 735 7.808 -8.117 -6.189 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.835 -5.844 -6.496 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.501 -5.523 -4.806 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.897 -7.365 -4.072 1.00 1.00 H new ATOM 0 HG3 GLU A 735 9.991 -8.035 -5.689 1.00 1.00 H new ATOM 174 N PHE A 736 6.418 -6.932 -3.415 1.00 1.00 N ATOM 175 CA PHE A 736 5.881 -7.280 -2.110 1.00 1.00 C ATOM 176 C PHE A 736 4.890 -8.454 -2.187 1.00 1.00 C ATOM 177 O PHE A 736 4.848 -9.248 -1.252 1.00 1.00 O ATOM 178 CB PHE A 736 5.285 -6.005 -1.509 1.00 1.00 C ATOM 179 CG PHE A 736 4.521 -6.153 -0.211 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.187 -6.532 0.969 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.146 -5.854 -0.178 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.469 -6.642 2.173 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.435 -5.938 1.029 1.00 1.00 C ATOM 184 CZ PHE A 736 3.092 -6.361 2.194 1.00 1.00 C ATOM 0 H PHE A 736 6.229 -5.966 -3.682 1.00 1.00 H new ATOM 0 HA PHE A 736 6.669 -7.647 -1.452 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.096 -5.295 -1.346 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.617 -5.562 -2.247 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.247 -6.738 0.950 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.637 -5.559 -1.084 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.974 -6.942 3.079 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.387 -5.678 1.061 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.536 -6.471 3.113 1.00 1.00 H new ATOM 194 N MET A 737 4.139 -8.614 -3.281 1.00 1.00 N ATOM 195 CA MET A 737 3.237 -9.733 -3.545 1.00 1.00 C ATOM 196 C MET A 737 4.033 -11.015 -3.691 1.00 1.00 C ATOM 197 O MET A 737 3.759 -11.961 -2.952 1.00 1.00 O ATOM 198 CB MET A 737 2.363 -9.482 -4.787 1.00 1.00 C ATOM 199 CG MET A 737 1.163 -8.553 -4.560 1.00 1.00 C ATOM 200 SD MET A 737 -0.110 -9.158 -3.425 1.00 1.00 S ATOM 201 CE MET A 737 -0.582 -10.707 -4.235 1.00 1.00 C ATOM 0 H MET A 737 4.146 -7.933 -4.041 1.00 1.00 H new ATOM 0 HA MET A 737 2.561 -9.831 -2.695 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.988 -9.058 -5.573 1.00 1.00 H new ATOM 0 HB3 MET A 737 1.997 -10.441 -5.154 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.534 -7.600 -4.183 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.696 -8.354 -5.525 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.533 -11.054 -3.831 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.683 -10.541 -5.307 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.185 -11.460 -4.055 1.00 1.00 H new ATOM 211 N ALA A 738 5.015 -11.045 -4.598 1.00 1.00 N ATOM 212 CA ALA A 738 5.825 -12.240 -4.802 1.00 1.00 C ATOM 213 C ALA A 738 6.601 -12.595 -3.530 1.00 1.00 C ATOM 214 O ALA A 738 6.607 -13.753 -3.103 1.00 1.00 O ATOM 215 CB ALA A 738 6.777 -12.026 -5.980 1.00 1.00 C ATOM 0 H ALA A 738 5.264 -10.258 -5.197 1.00 1.00 H new ATOM 0 HA ALA A 738 5.166 -13.077 -5.032 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.380 -12.922 -6.128 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.200 -11.824 -6.882 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.431 -11.179 -5.770 1.00 1.00 H new ATOM 221 N SER A 739 7.257 -11.596 -2.940 1.00 1.00 N ATOM 222 CA SER A 739 8.103 -11.715 -1.767 1.00 1.00 C ATOM 223 C SER A 739 7.282 -12.060 -0.517 1.00 1.00 C ATOM 224 O SER A 739 7.795 -12.747 0.367 1.00 1.00 O ATOM 225 CB SER A 739 8.859 -10.386 -1.614 1.00 1.00 C ATOM 226 OG SER A 739 9.996 -10.492 -0.785 1.00 1.00 O ATOM 0 H SER A 739 7.206 -10.639 -3.289 1.00 1.00 H new ATOM 0 HA SER A 739 8.813 -12.534 -1.887 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.165 -10.033 -2.599 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.184 -9.636 -1.202 1.00 1.00 H new ATOM 0 HG SER A 739 10.439 -9.620 -0.724 1.00 1.00 H new ATOM 232 N LYS A 740 6.019 -11.615 -0.433 1.00 1.00 N ATOM 233 CA LYS A 740 5.043 -11.874 0.633 1.00 1.00 C ATOM 234 C LYS A 740 5.643 -11.760 2.030 1.00 1.00 C ATOM 235 O LYS A 740 5.413 -12.607 2.890 1.00 1.00 O ATOM 236 CB LYS A 740 4.225 -13.150 0.357 1.00 1.00 C ATOM 237 CG LYS A 740 5.107 -14.409 0.339 1.00 1.00 C ATOM 238 CD LYS A 740 4.315 -15.711 0.421 1.00 1.00 C ATOM 239 CE LYS A 740 5.291 -16.838 0.767 1.00 1.00 C ATOM 240 NZ LYS A 740 4.648 -18.155 0.701 1.00 1.00 N ATOM 0 H LYS A 740 5.626 -11.021 -1.163 1.00 1.00 H new ATOM 0 HA LYS A 740 4.308 -11.069 0.617 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.454 -13.258 1.120 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.714 -13.052 -0.601 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.702 -14.412 -0.574 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.805 -14.365 1.175 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.536 -15.636 1.179 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.818 -15.915 -0.527 1.00 1.00 H new ATOM 0 HE2 LYS A 740 6.136 -16.811 0.079 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.690 -16.678 1.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 5.341 -18.892 0.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 3.857 -18.190 1.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 4.289 -18.318 -0.261 1.00 1.00 H new ATOM 253 N LYS A 741 6.396 -10.678 2.246 1.00 1.00 N ATOM 254 CA LYS A 741 7.157 -10.407 3.455 1.00 1.00 C ATOM 255 C LYS A 741 6.213 -10.490 4.654 1.00 1.00 C ATOM 256 O LYS A 741 6.240 -11.497 5.350 1.00 1.00 O ATOM 257 CB LYS A 741 7.921 -9.084 3.264 1.00 1.00 C ATOM 258 CG LYS A 741 8.675 -9.051 1.917 1.00 1.00 C ATOM 259 CD LYS A 741 10.070 -8.426 1.971 1.00 1.00 C ATOM 260 CE LYS A 741 11.026 -9.463 2.562 1.00 1.00 C ATOM 261 NZ LYS A 741 12.425 -9.018 2.522 1.00 1.00 N ATOM 0 H LYS A 741 6.492 -9.939 1.549 1.00 1.00 H new ATOM 0 HA LYS A 741 7.930 -11.148 3.660 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.221 -8.249 3.310 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.630 -8.951 4.081 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.765 -10.071 1.543 1.00 1.00 H new ATOM 0 HG3 LYS A 741 8.074 -8.499 1.195 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.395 -8.132 0.973 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.061 -7.523 2.582 1.00 1.00 H new ATOM 0 HE2 LYS A 741 10.742 -9.669 3.594 1.00 1.00 H new ATOM 0 HE3 LYS A 741 10.929 -10.399 2.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.035 -9.753 2.933 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.707 -8.846 1.536 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.526 -8.139 3.069 1.00 1.00 H new ATOM 274 N MET A 742 5.453 -9.437 4.939 1.00 1.00 N ATOM 275 CA MET A 742 4.394 -9.308 5.942 1.00 1.00 C ATOM 276 C MET A 742 3.615 -8.040 5.661 1.00 1.00 C ATOM 277 O MET A 742 2.458 -8.122 5.255 1.00 1.00 O ATOM 278 CB MET A 742 4.803 -9.341 7.425 1.00 1.00 C ATOM 279 CG MET A 742 5.018 -10.721 8.049 1.00 1.00 C ATOM 280 SD MET A 742 3.575 -11.823 8.135 1.00 1.00 S ATOM 281 CE MET A 742 3.752 -12.851 6.647 1.00 1.00 C ATOM 0 H MET A 742 5.573 -8.565 4.424 1.00 1.00 H new ATOM 0 HA MET A 742 3.802 -10.216 5.826 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.725 -8.770 7.536 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.036 -8.823 8.001 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.799 -11.230 7.484 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.397 -10.580 9.061 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.153 -13.755 6.756 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.410 -12.292 5.776 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.799 -13.123 6.515 1.00 1.00 H new ATOM 291 N GLN A 743 4.258 -6.878 5.818 1.00 1.00 N ATOM 292 CA GLN A 743 3.591 -5.591 5.691 1.00 1.00 C ATOM 293 C GLN A 743 4.525 -4.532 5.101 1.00 1.00 C ATOM 294 O GLN A 743 5.750 -4.629 5.215 1.00 1.00 O ATOM 295 CB GLN A 743 2.952 -5.229 7.046 1.00 1.00 C ATOM 296 CG GLN A 743 3.921 -4.861 8.188 1.00 1.00 C ATOM 297 CD GLN A 743 4.316 -3.387 8.171 1.00 1.00 C ATOM 298 OE1 GLN A 743 3.543 -2.537 7.747 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.498 -3.025 8.637 1.00 1.00 N ATOM 0 H GLN A 743 5.252 -6.810 6.036 1.00 1.00 H new ATOM 0 HA GLN A 743 2.777 -5.644 4.968 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.274 -4.390 6.890 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.344 -6.073 7.373 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.455 -5.097 9.145 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.818 -5.475 8.110 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.144 -3.730 8.991 1.00 1.00 H new ATOM 0 HE22 GLN A 743 5.764 -2.040 8.643 1.00 1.00 H new ATOM 308 N LEU A 744 3.957 -3.523 4.446 1.00 1.00 N ATOM 309 CA LEU A 744 4.651 -2.457 3.737 1.00 1.00 C ATOM 310 C LEU A 744 3.924 -1.169 4.098 1.00 1.00 C ATOM 311 O LEU A 744 2.708 -1.060 3.920 1.00 1.00 O ATOM 312 CB LEU A 744 4.658 -2.761 2.224 1.00 1.00 C ATOM 313 CG LEU A 744 5.633 -1.937 1.354 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.509 -2.396 -0.102 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.408 -0.427 1.417 1.00 1.00 C ATOM 0 H LEU A 744 2.943 -3.424 4.394 1.00 1.00 H new ATOM 0 HA LEU A 744 5.700 -2.365 4.020 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.893 -3.817 2.090 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.649 -2.608 1.842 1.00 1.00 H new ATOM 0 HG LEU A 744 6.630 -2.117 1.756 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.194 -1.820 -0.725 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.758 -3.455 -0.172 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.487 -2.240 -0.447 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.134 0.076 0.778 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.400 -0.195 1.074 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.529 -0.084 2.444 1.00 1.00 H new ATOM 327 N GLU A 745 4.662 -0.222 4.665 1.00 1.00 N ATOM 328 CA GLU A 745 4.185 1.074 5.072 1.00 1.00 C ATOM 329 C GLU A 745 4.465 2.048 3.923 1.00 1.00 C ATOM 330 O GLU A 745 5.631 2.286 3.606 1.00 1.00 O ATOM 331 CB GLU A 745 4.974 1.472 6.325 1.00 1.00 C ATOM 332 CG GLU A 745 4.537 0.670 7.555 1.00 1.00 C ATOM 333 CD GLU A 745 5.600 0.660 8.655 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.702 1.608 9.471 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.382 -0.322 8.706 1.00 1.00 O ATOM 0 H GLU A 745 5.655 -0.353 4.858 1.00 1.00 H new ATOM 0 HA GLU A 745 3.118 1.079 5.295 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.038 1.315 6.149 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.836 2.536 6.518 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.613 1.092 7.951 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.317 -0.355 7.257 1.00 1.00 H new ATOM 342 N PHE A 746 3.434 2.594 3.282 1.00 1.00 N ATOM 343 CA PHE A 746 3.580 3.622 2.251 1.00 1.00 C ATOM 344 C PHE A 746 3.445 4.993 2.961 1.00 1.00 C ATOM 345 O PHE A 746 2.776 5.092 4.001 1.00 1.00 O ATOM 346 CB PHE A 746 2.597 3.390 1.081 1.00 1.00 C ATOM 347 CG PHE A 746 3.023 2.366 0.040 1.00 1.00 C ATOM 348 CD1 PHE A 746 3.924 2.740 -0.976 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.484 1.063 0.032 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.313 1.822 -1.964 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.880 0.142 -0.953 1.00 1.00 C ATOM 352 CZ PHE A 746 3.804 0.516 -1.945 1.00 1.00 C ATOM 0 H PHE A 746 2.465 2.334 3.464 1.00 1.00 H new ATOM 0 HA PHE A 746 4.557 3.584 1.769 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.638 3.079 1.496 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.433 4.343 0.577 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.320 3.745 -0.995 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.766 0.772 0.784 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.004 2.122 -2.738 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.473 -0.858 -0.948 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.120 -0.200 -2.689 1.00 1.00 H new ATOM 362 N PRO A 747 4.080 6.059 2.445 1.00 1.00 N ATOM 363 CA PRO A 747 4.122 7.367 3.097 1.00 1.00 C ATOM 364 C PRO A 747 2.872 8.239 2.925 1.00 1.00 C ATOM 365 O PRO A 747 2.072 8.023 2.017 1.00 1.00 O ATOM 366 CB PRO A 747 5.351 8.045 2.478 1.00 1.00 C ATOM 367 CG PRO A 747 5.359 7.510 1.050 1.00 1.00 C ATOM 368 CD PRO A 747 4.892 6.069 1.238 1.00 1.00 C ATOM 0 HA PRO A 747 4.170 7.237 4.178 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.266 9.131 2.501 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.266 7.785 3.011 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.688 8.073 0.401 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.352 7.560 0.603 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.314 5.732 0.377 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.742 5.394 1.335 1.00 1.00 H new ATOM 376 N PRO A 748 2.727 9.290 3.755 1.00 1.00 N ATOM 377 CA PRO A 748 1.658 10.275 3.640 1.00 1.00 C ATOM 378 C PRO A 748 1.800 11.105 2.364 1.00 1.00 C ATOM 379 O PRO A 748 0.821 11.704 1.934 1.00 1.00 O ATOM 380 CB PRO A 748 1.739 11.169 4.873 1.00 1.00 C ATOM 381 CG PRO A 748 3.195 11.034 5.309 1.00 1.00 C ATOM 382 CD PRO A 748 3.575 9.616 4.894 1.00 1.00 C ATOM 0 HA PRO A 748 0.691 9.776 3.582 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.484 12.202 4.638 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.053 10.841 5.654 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.828 11.776 4.822 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.305 11.178 6.384 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.630 9.558 4.625 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.416 8.914 5.713 1.00 1.00 H new ATOM 390 N SER A 749 3.007 11.206 1.800 1.00 1.00 N ATOM 391 CA SER A 749 3.357 11.974 0.610 1.00 1.00 C ATOM 392 C SER A 749 2.346 11.825 -0.533 1.00 1.00 C ATOM 393 O SER A 749 2.153 12.759 -1.315 1.00 1.00 O ATOM 394 CB SER A 749 4.756 11.533 0.177 1.00 1.00 C ATOM 395 OG SER A 749 5.604 11.458 1.315 1.00 1.00 O ATOM 0 H SER A 749 3.815 10.721 2.190 1.00 1.00 H new ATOM 0 HA SER A 749 3.339 13.035 0.858 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.706 10.563 -0.317 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.163 12.239 -0.547 1.00 1.00 H new ATOM 0 HG SER A 749 6.500 11.174 1.037 1.00 1.00 H new ATOM 401 N LEU A 750 1.705 10.657 -0.619 1.00 1.00 N ATOM 402 CA LEU A 750 0.632 10.341 -1.543 1.00 1.00 C ATOM 403 C LEU A 750 -0.491 11.345 -1.322 1.00 1.00 C ATOM 404 O LEU A 750 -1.102 11.343 -0.257 1.00 1.00 O ATOM 405 CB LEU A 750 0.176 8.892 -1.281 1.00 1.00 C ATOM 406 CG LEU A 750 1.020 7.761 -1.921 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.228 8.242 -2.727 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.511 6.721 -0.915 1.00 1.00 C ATOM 0 H LEU A 750 1.938 9.871 -0.012 1.00 1.00 H new ATOM 0 HA LEU A 750 0.953 10.410 -2.582 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.158 8.732 -0.203 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.850 8.791 -1.635 1.00 1.00 H new ATOM 0 HG LEU A 750 0.307 7.303 -2.607 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.758 7.382 -3.137 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.890 8.882 -3.542 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.898 8.805 -2.077 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.094 5.960 -1.434 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.134 7.207 -0.164 1.00 1.00 H new ATOM 0 HD23 LEU A 750 0.655 6.253 -0.429 1.00 1.00 H new ATOM 420 N ASN A 751 -0.770 12.190 -2.317 1.00 1.00 N ATOM 421 CA ASN A 751 -1.738 13.277 -2.207 1.00 1.00 C ATOM 422 C ASN A 751 -3.140 12.750 -1.927 1.00 1.00 C ATOM 423 O ASN A 751 -3.668 12.925 -0.828 1.00 1.00 O ATOM 424 CB ASN A 751 -1.731 14.176 -3.445 1.00 1.00 C ATOM 425 CG ASN A 751 -0.418 14.903 -3.680 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.179 14.762 -4.746 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.059 15.693 -2.739 1.00 1.00 N ATOM 0 H ASN A 751 -0.323 12.136 -3.232 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.432 13.887 -1.357 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.960 13.570 -4.322 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.529 14.912 -3.350 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.933 16.196 -2.890 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.446 15.801 -1.859 1.00 1.00 H new ATOM 434 N SER A 752 -3.754 12.111 -2.922 1.00 1.00 N ATOM 435 CA SER A 752 -5.100 11.564 -2.795 1.00 1.00 C ATOM 436 C SER A 752 -5.173 10.292 -3.627 1.00 1.00 C ATOM 437 O SER A 752 -5.245 9.183 -3.093 1.00 1.00 O ATOM 438 CB SER A 752 -6.155 12.594 -3.251 1.00 1.00 C ATOM 439 OG SER A 752 -5.930 13.892 -2.730 1.00 1.00 O ATOM 0 H SER A 752 -3.331 11.959 -3.838 1.00 1.00 H new ATOM 0 HA SER A 752 -5.315 11.332 -1.752 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.159 12.642 -4.340 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.143 12.252 -2.943 1.00 1.00 H new ATOM 0 HG SER A 752 -6.627 14.500 -3.054 1.00 1.00 H new ATOM 445 N HIS A 753 -5.059 10.456 -4.942 1.00 1.00 N ATOM 446 CA HIS A 753 -5.193 9.404 -5.931 1.00 1.00 C ATOM 447 C HIS A 753 -4.142 8.322 -5.744 1.00 1.00 C ATOM 448 O HIS A 753 -4.396 7.159 -6.019 1.00 1.00 O ATOM 449 CB HIS A 753 -5.015 10.015 -7.318 1.00 1.00 C ATOM 450 CG HIS A 753 -5.850 11.236 -7.590 1.00 1.00 C ATOM 451 ND1 HIS A 753 -7.161 11.461 -7.233 1.00 1.00 N ATOM 452 CD2 HIS A 753 -5.410 12.335 -8.264 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.520 12.654 -7.737 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.496 13.200 -8.421 1.00 1.00 N ATOM 0 H HIS A 753 -4.862 11.366 -5.359 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.178 8.951 -5.817 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.965 10.275 -7.451 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -5.253 9.258 -8.065 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -4.403 12.507 -8.614 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -8.491 13.110 -7.612 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -6.511 14.072 -8.949 1.00 1.00 H new ATOM 462 N ASP A 754 -2.951 8.702 -5.300 1.00 1.00 N ATOM 463 CA ASP A 754 -1.777 7.875 -5.153 1.00 1.00 C ATOM 464 C ASP A 754 -2.045 6.848 -4.051 1.00 1.00 C ATOM 465 O ASP A 754 -1.897 5.644 -4.245 1.00 1.00 O ATOM 466 CB ASP A 754 -0.622 8.826 -4.802 1.00 1.00 C ATOM 467 CG ASP A 754 -0.684 10.147 -5.563 1.00 1.00 C ATOM 468 OD1 ASP A 754 -1.372 11.048 -5.027 1.00 1.00 O ATOM 469 OD2 ASP A 754 -0.193 10.216 -6.709 1.00 1.00 O ATOM 0 H ASP A 754 -2.776 9.666 -5.015 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.524 7.320 -6.056 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.639 9.029 -3.731 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.326 8.333 -5.018 1.00 1.00 H new ATOM 474 N ARG A 755 -2.518 7.326 -2.894 1.00 1.00 N ATOM 475 CA ARG A 755 -2.936 6.505 -1.760 1.00 1.00 C ATOM 476 C ARG A 755 -4.109 5.629 -2.180 1.00 1.00 C ATOM 477 O ARG A 755 -4.154 4.451 -1.828 1.00 1.00 O ATOM 478 CB ARG A 755 -3.304 7.435 -0.589 1.00 1.00 C ATOM 479 CG ARG A 755 -4.016 6.744 0.585 1.00 1.00 C ATOM 480 CD ARG A 755 -4.409 7.814 1.615 1.00 1.00 C ATOM 481 NE ARG A 755 -5.260 7.299 2.698 1.00 1.00 N ATOM 482 CZ ARG A 755 -6.570 7.029 2.631 1.00 1.00 C ATOM 483 NH1 ARG A 755 -7.216 7.084 1.471 1.00 1.00 N ATOM 484 NH2 ARG A 755 -7.251 6.723 3.731 1.00 1.00 N ATOM 0 H ARG A 755 -2.622 8.326 -2.719 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.130 5.847 -1.435 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.394 7.905 -0.217 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.944 8.233 -0.965 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.901 6.215 0.232 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.361 6.002 1.041 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.504 8.242 2.047 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.932 8.623 1.105 1.00 1.00 H new ATOM 0 HE ARG A 755 -4.805 7.130 3.595 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -6.714 7.334 0.619 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -8.214 6.876 1.433 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -6.776 6.693 4.633 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -8.249 6.518 3.673 1.00 1.00 H new ATOM 498 N LEU A 756 -5.050 6.196 -2.935 1.00 1.00 N ATOM 499 CA LEU A 756 -6.197 5.462 -3.432 1.00 1.00 C ATOM 500 C LEU A 756 -5.734 4.312 -4.323 1.00 1.00 C ATOM 501 O LEU A 756 -6.227 3.201 -4.188 1.00 1.00 O ATOM 502 CB LEU A 756 -7.165 6.394 -4.138 1.00 1.00 C ATOM 503 CG LEU A 756 -8.508 5.734 -4.486 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.334 5.487 -3.219 1.00 1.00 C ATOM 505 CD2 LEU A 756 -9.282 6.643 -5.446 1.00 1.00 C ATOM 0 H LEU A 756 -5.032 7.177 -3.215 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.740 5.026 -2.593 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.349 7.262 -3.504 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.701 6.761 -5.054 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.318 4.772 -4.962 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.281 5.019 -3.488 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.782 4.830 -2.547 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.527 6.436 -2.720 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -10.236 6.179 -5.696 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.461 7.607 -4.970 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -8.700 6.790 -6.356 1.00 1.00 H new ATOM 517 N ARG A 757 -4.756 4.551 -5.197 1.00 1.00 N ATOM 518 CA ARG A 757 -4.158 3.531 -6.040 1.00 1.00 C ATOM 519 C ARG A 757 -3.541 2.450 -5.162 1.00 1.00 C ATOM 520 O ARG A 757 -3.854 1.289 -5.385 1.00 1.00 O ATOM 521 CB ARG A 757 -3.165 4.178 -7.010 1.00 1.00 C ATOM 522 CG ARG A 757 -2.823 3.356 -8.261 1.00 1.00 C ATOM 523 CD ARG A 757 -3.978 3.286 -9.275 1.00 1.00 C ATOM 524 NE ARG A 757 -4.865 2.129 -9.053 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.611 0.875 -9.447 1.00 1.00 C ATOM 526 NH1 ARG A 757 -3.528 0.588 -10.165 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.441 -0.103 -9.114 1.00 1.00 N ATOM 0 H ARG A 757 -4.354 5.478 -5.337 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.913 3.042 -6.656 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.570 5.138 -7.329 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.241 4.385 -6.470 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.949 3.791 -8.746 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.551 2.344 -7.960 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.564 4.203 -9.215 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.567 3.235 -10.283 1.00 1.00 H new ATOM 0 HE ARG A 757 -5.742 2.298 -8.560 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -2.876 1.329 -10.423 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -3.350 -0.373 -10.457 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -6.272 0.100 -8.558 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.249 -1.059 -9.413 1.00 1.00 H new ATOM 541 N VAL A 758 -2.735 2.786 -4.150 1.00 1.00 N ATOM 542 CA VAL A 758 -2.162 1.794 -3.236 1.00 1.00 C ATOM 543 C VAL A 758 -3.282 0.926 -2.631 1.00 1.00 C ATOM 544 O VAL A 758 -3.183 -0.303 -2.681 1.00 1.00 O ATOM 545 CB VAL A 758 -1.277 2.502 -2.182 1.00 1.00 C ATOM 546 CG1 VAL A 758 -0.833 1.584 -1.033 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.009 3.085 -2.831 1.00 1.00 C ATOM 0 H VAL A 758 -2.463 3.747 -3.942 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.507 1.110 -3.775 1.00 1.00 H new ATOM 0 HB VAL A 758 -1.907 3.290 -1.769 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.216 2.149 -0.334 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.711 1.200 -0.514 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.256 0.751 -1.435 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.596 3.577 -2.070 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.568 2.281 -3.289 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.291 3.810 -3.595 1.00 1.00 H new ATOM 557 N HIS A 759 -4.358 1.540 -2.111 1.00 1.00 N ATOM 558 CA HIS A 759 -5.523 0.816 -1.605 1.00 1.00 C ATOM 559 C HIS A 759 -6.087 -0.119 -2.676 1.00 1.00 C ATOM 560 O HIS A 759 -6.306 -1.291 -2.402 1.00 1.00 O ATOM 561 CB HIS A 759 -6.630 1.775 -1.125 1.00 1.00 C ATOM 562 CG HIS A 759 -6.412 2.414 0.223 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.153 1.744 1.394 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.568 3.739 0.533 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.116 2.642 2.391 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.401 3.865 1.917 1.00 1.00 N ATOM 0 H HIS A 759 -4.439 2.554 -2.032 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.186 0.228 -0.751 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.744 2.566 -1.866 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.571 1.226 -1.097 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.780 4.538 -0.162 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.890 2.414 3.422 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.481 4.723 2.462 1.00 1.00 H new ATOM 574 N GLN A 760 -6.335 0.384 -3.884 1.00 1.00 N ATOM 575 CA GLN A 760 -6.959 -0.350 -4.973 1.00 1.00 C ATOM 576 C GLN A 760 -6.125 -1.550 -5.416 1.00 1.00 C ATOM 577 O GLN A 760 -6.697 -2.622 -5.583 1.00 1.00 O ATOM 578 CB GLN A 760 -7.171 0.605 -6.144 1.00 1.00 C ATOM 579 CG GLN A 760 -8.348 1.567 -5.937 1.00 1.00 C ATOM 580 CD GLN A 760 -8.414 2.599 -7.057 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.532 2.676 -7.917 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.468 3.390 -7.098 1.00 1.00 N ATOM 0 H GLN A 760 -6.098 1.344 -4.135 1.00 1.00 H new ATOM 0 HA GLN A 760 -7.913 -0.743 -4.621 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.261 1.184 -6.301 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.340 0.025 -7.051 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.281 1.004 -5.901 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.244 2.073 -4.977 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.190 3.316 -6.381 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.562 4.076 -7.847 1.00 1.00 H new ATOM 591 N ILE A 761 -4.818 -1.397 -5.653 1.00 1.00 N ATOM 592 CA ILE A 761 -3.890 -2.469 -5.967 1.00 1.00 C ATOM 593 C ILE A 761 -4.029 -3.532 -4.875 1.00 1.00 C ATOM 594 O ILE A 761 -4.300 -4.694 -5.170 1.00 1.00 O ATOM 595 CB ILE A 761 -2.474 -1.846 -6.060 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.456 -0.847 -7.235 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.360 -2.895 -6.229 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.127 -0.115 -7.452 1.00 1.00 C ATOM 0 H ILE A 761 -4.367 -0.482 -5.628 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.091 -2.957 -6.920 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.267 -1.340 -5.117 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.710 -1.383 -8.150 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.238 -0.105 -7.072 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.394 -2.394 -6.288 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.366 -3.573 -5.375 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.530 -3.463 -7.144 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.219 0.563 -8.301 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -0.875 0.455 -6.558 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.340 -0.842 -7.652 1.00 1.00 H new ATOM 610 N ALA A 762 -3.909 -3.126 -3.607 1.00 1.00 N ATOM 611 CA ALA A 762 -4.051 -4.030 -2.477 1.00 1.00 C ATOM 612 C ALA A 762 -5.388 -4.776 -2.473 1.00 1.00 C ATOM 613 O ALA A 762 -5.419 -5.978 -2.203 1.00 1.00 O ATOM 614 CB ALA A 762 -3.825 -3.232 -1.186 1.00 1.00 C ATOM 0 H ALA A 762 -3.711 -2.161 -3.342 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.298 -4.814 -2.557 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.928 -3.894 -0.326 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.824 -2.801 -1.195 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.563 -2.433 -1.118 1.00 1.00 H new ATOM 620 N GLU A 763 -6.468 -4.067 -2.781 1.00 1.00 N ATOM 621 CA GLU A 763 -7.825 -4.576 -2.838 1.00 1.00 C ATOM 622 C GLU A 763 -8.037 -5.480 -4.060 1.00 1.00 C ATOM 623 O GLU A 763 -8.947 -6.310 -4.055 1.00 1.00 O ATOM 624 CB GLU A 763 -8.756 -3.342 -2.936 1.00 1.00 C ATOM 625 CG GLU A 763 -10.268 -3.571 -2.909 1.00 1.00 C ATOM 626 CD GLU A 763 -10.821 -4.115 -1.596 1.00 1.00 C ATOM 627 OE1 GLU A 763 -10.548 -5.279 -1.230 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.671 -3.442 -0.967 1.00 1.00 O ATOM 0 H GLU A 763 -6.414 -3.074 -3.008 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.037 -5.178 -1.954 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.507 -2.671 -2.114 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.516 -2.817 -3.860 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.766 -2.627 -3.131 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.528 -4.264 -3.709 1.00 1.00 H new ATOM 635 N GLU A 764 -7.272 -5.312 -5.142 1.00 1.00 N ATOM 636 CA GLU A 764 -7.311 -6.151 -6.318 1.00 1.00 C ATOM 637 C GLU A 764 -6.629 -7.481 -6.022 1.00 1.00 C ATOM 638 O GLU A 764 -7.129 -8.530 -6.431 1.00 1.00 O ATOM 639 CB GLU A 764 -6.615 -5.434 -7.488 1.00 1.00 C ATOM 640 CG GLU A 764 -7.253 -5.950 -8.768 1.00 1.00 C ATOM 641 CD GLU A 764 -6.488 -5.534 -10.020 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.619 -4.352 -10.433 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.796 -6.405 -10.598 1.00 1.00 O ATOM 0 H GLU A 764 -6.588 -4.559 -5.215 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.347 -6.345 -6.595 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.736 -4.354 -7.405 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.544 -5.636 -7.482 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.310 -7.038 -8.727 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.276 -5.580 -8.833 1.00 1.00 H new ATOM 650 N HIS A 765 -5.491 -7.438 -5.331 1.00 1.00 N ATOM 651 CA HIS A 765 -4.757 -8.585 -4.862 1.00 1.00 C ATOM 652 C HIS A 765 -5.480 -9.106 -3.608 1.00 1.00 C ATOM 653 O HIS A 765 -6.706 -9.065 -3.482 1.00 1.00 O ATOM 654 CB HIS A 765 -3.293 -8.201 -4.608 1.00 1.00 C ATOM 655 CG HIS A 765 -2.549 -7.623 -5.786 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.246 -8.225 -6.990 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.958 -6.396 -5.788 1.00 1.00 C ATOM 658 CE1 HIS A 765 -1.506 -7.356 -7.699 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.312 -6.217 -7.013 1.00 1.00 N ATOM 0 H HIS A 765 -5.045 -6.556 -5.077 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.728 -9.385 -5.602 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.264 -7.477 -3.794 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.759 -9.088 -4.266 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -2.531 -9.158 -7.287 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.984 -5.682 -4.978 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.119 -7.548 -8.689 1.00 1.00 H new ATOM 667 N GLY A 766 -4.711 -9.669 -2.691 1.00 1.00 N ATOM 668 CA GLY A 766 -5.112 -10.142 -1.399 1.00 1.00 C ATOM 669 C GLY A 766 -4.274 -9.451 -0.345 1.00 1.00 C ATOM 670 O GLY A 766 -3.463 -10.112 0.320 1.00 1.00 O ATOM 0 H GLY A 766 -3.715 -9.813 -2.855 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.170 -9.938 -1.234 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.982 -11.222 -1.336 1.00 1.00 H new ATOM 674 N LEU A 767 -4.433 -8.123 -0.216 1.00 1.00 N ATOM 675 CA LEU A 767 -3.733 -7.383 0.819 1.00 1.00 C ATOM 676 C LEU A 767 -4.718 -6.669 1.723 1.00 1.00 C ATOM 677 O LEU A 767 -5.692 -6.084 1.243 1.00 1.00 O ATOM 678 CB LEU A 767 -2.822 -6.312 0.212 1.00 1.00 C ATOM 679 CG LEU A 767 -1.780 -6.765 -0.805 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.885 -5.604 -1.215 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.866 -7.825 -0.225 1.00 1.00 C ATOM 0 H LEU A 767 -5.035 -7.556 -0.813 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.144 -8.108 1.381 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.455 -5.564 -0.266 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.300 -5.813 1.028 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.335 -7.158 -1.657 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.149 -5.950 -1.941 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.492 -4.816 -1.661 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.372 -5.213 -0.337 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.135 -8.126 -0.976 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.348 -7.422 0.645 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.457 -8.691 0.074 1.00 1.00 H new ATOM 693 N ARG A 768 -4.477 -6.689 3.032 1.00 1.00 N ATOM 694 CA ARG A 768 -5.294 -5.930 3.969 1.00 1.00 C ATOM 695 C ARG A 768 -4.685 -4.542 3.943 1.00 1.00 C ATOM 696 O ARG A 768 -3.547 -4.380 4.384 1.00 1.00 O ATOM 697 CB ARG A 768 -5.263 -6.545 5.377 1.00 1.00 C ATOM 698 CG ARG A 768 -6.123 -5.726 6.353 1.00 1.00 C ATOM 699 CD ARG A 768 -6.202 -6.379 7.736 1.00 1.00 C ATOM 700 NE ARG A 768 -6.751 -5.431 8.718 1.00 1.00 N ATOM 701 CZ ARG A 768 -8.023 -5.287 9.109 1.00 1.00 C ATOM 702 NH1 ARG A 768 -8.955 -6.170 8.776 1.00 1.00 N ATOM 703 NH2 ARG A 768 -8.358 -4.247 9.860 1.00 1.00 N ATOM 0 H ARG A 768 -3.723 -7.222 3.465 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.349 -5.924 3.694 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.628 -7.571 5.338 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.235 -6.586 5.738 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.707 -4.723 6.449 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.128 -5.616 5.946 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -6.829 -7.269 7.690 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.210 -6.704 8.049 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.077 -4.804 9.157 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -8.709 -6.982 8.209 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -9.917 -6.037 9.087 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -7.649 -3.566 10.134 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -9.324 -4.127 10.164 1.00 1.00 H new ATOM 717 N HIS A 769 -5.388 -3.578 3.359 1.00 1.00 N ATOM 718 CA HIS A 769 -4.957 -2.194 3.328 1.00 1.00 C ATOM 719 C HIS A 769 -5.616 -1.450 4.480 1.00 1.00 C ATOM 720 O HIS A 769 -6.782 -1.688 4.795 1.00 1.00 O ATOM 721 CB HIS A 769 -5.306 -1.558 1.978 1.00 1.00 C ATOM 722 CG HIS A 769 -6.723 -1.754 1.509 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.811 -0.946 1.763 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.145 -2.790 0.721 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.858 -1.467 1.107 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.506 -2.601 0.483 1.00 1.00 N ATOM 0 H HIS A 769 -6.280 -3.741 2.891 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.875 -2.137 3.444 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.108 -0.488 2.040 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.634 -1.963 1.222 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.818 -0.107 2.343 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.537 -3.603 0.352 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.847 -1.034 1.084 1.00 1.00 H new ATOM 734 N ASP A 770 -4.865 -0.549 5.097 1.00 1.00 N ATOM 735 CA ASP A 770 -5.240 0.215 6.282 1.00 1.00 C ATOM 736 C ASP A 770 -4.372 1.478 6.349 1.00 1.00 C ATOM 737 O ASP A 770 -3.554 1.741 5.462 1.00 1.00 O ATOM 738 CB ASP A 770 -5.043 -0.658 7.535 1.00 1.00 C ATOM 739 CG ASP A 770 -5.547 -0.004 8.825 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.503 0.804 8.783 1.00 1.00 O ATOM 741 OD2 ASP A 770 -4.980 -0.312 9.900 1.00 1.00 O ATOM 0 H ASP A 770 -3.928 -0.318 4.768 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.288 0.510 6.232 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.561 -1.606 7.392 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -3.983 -0.888 7.644 1.00 1.00 H new ATOM 746 N SER A 771 -4.605 2.348 7.321 1.00 1.00 N ATOM 747 CA SER A 771 -3.794 3.522 7.582 1.00 1.00 C ATOM 748 C SER A 771 -3.630 3.685 9.085 1.00 1.00 C ATOM 749 O SER A 771 -4.386 3.123 9.882 1.00 1.00 O ATOM 750 CB SER A 771 -4.410 4.758 6.939 1.00 1.00 C ATOM 751 OG SER A 771 -4.359 4.632 5.527 1.00 1.00 O ATOM 0 H SER A 771 -5.388 2.251 7.968 1.00 1.00 H new ATOM 0 HA SER A 771 -2.807 3.396 7.136 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.443 4.875 7.267 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.872 5.652 7.255 1.00 1.00 H new ATOM 0 HG SER A 771 -3.964 3.767 5.290 1.00 1.00 H new ATOM 757 N SER A 772 -2.617 4.443 9.459 1.00 1.00 N ATOM 758 CA SER A 772 -2.185 4.690 10.814 1.00 1.00 C ATOM 759 C SER A 772 -1.760 6.151 10.916 1.00 1.00 C ATOM 760 O SER A 772 -1.588 6.837 9.905 1.00 1.00 O ATOM 761 CB SER A 772 -1.030 3.735 11.125 1.00 1.00 C ATOM 762 OG SER A 772 -1.521 2.439 11.429 1.00 1.00 O ATOM 0 H SER A 772 -2.039 4.933 8.776 1.00 1.00 H new ATOM 0 HA SER A 772 -2.980 4.513 11.538 1.00 1.00 H new ATOM 0 HB2 SER A 772 -0.354 3.683 10.271 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.452 4.117 11.966 1.00 1.00 H new ATOM 0 HG SER A 772 -0.769 1.842 11.623 1.00 1.00 H new ATOM 768 N GLY A 773 -1.605 6.627 12.143 1.00 1.00 N ATOM 769 CA GLY A 773 -1.159 7.967 12.455 1.00 1.00 C ATOM 770 C GLY A 773 -1.639 8.309 13.845 1.00 1.00 C ATOM 771 O GLY A 773 -2.779 7.993 14.202 1.00 1.00 O ATOM 0 H GLY A 773 -1.794 6.067 12.974 1.00 1.00 H new ATOM 0 HA2 GLY A 773 -0.072 8.028 12.402 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -1.554 8.678 11.730 1.00 1.00 H new ATOM 775 N GLU A 774 -0.741 8.919 14.613 1.00 1.00 N ATOM 776 CA GLU A 774 -0.938 9.253 16.017 1.00 1.00 C ATOM 777 C GLU A 774 -0.649 10.750 16.193 1.00 1.00 C ATOM 778 O GLU A 774 -1.518 11.503 16.626 1.00 1.00 O ATOM 779 CB GLU A 774 -0.046 8.319 16.855 1.00 1.00 C ATOM 780 CG GLU A 774 -0.496 8.165 18.316 1.00 1.00 C ATOM 781 CD GLU A 774 -0.344 9.427 19.151 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.742 10.051 19.128 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.315 9.809 19.844 1.00 1.00 O ATOM 0 H GLU A 774 0.174 9.203 14.262 1.00 1.00 H new ATOM 0 HA GLU A 774 -1.960 9.095 16.362 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.027 7.335 16.386 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.975 8.699 16.839 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -1.541 7.856 18.332 1.00 1.00 H new ATOM 0 HG3 GLU A 774 0.080 7.364 18.780 1.00 1.00 H new ATOM 790 N GLY A 775 0.566 11.190 15.840 1.00 1.00 N ATOM 791 CA GLY A 775 0.976 12.594 15.837 1.00 1.00 C ATOM 792 C GLY A 775 0.592 13.198 14.491 1.00 1.00 C ATOM 793 O GLY A 775 -0.561 13.087 14.072 1.00 1.00 O ATOM 0 H GLY A 775 1.309 10.559 15.541 1.00 1.00 H new ATOM 0 HA2 GLY A 775 0.489 13.134 16.649 1.00 1.00 H new ATOM 0 HA3 GLY A 775 2.051 12.677 15.998 1.00 1.00 H new ATOM 797 N LYS A 776 1.532 13.828 13.785 1.00 1.00 N ATOM 798 CA LYS A 776 1.340 14.354 12.426 1.00 1.00 C ATOM 799 C LYS A 776 2.127 13.427 11.495 1.00 1.00 C ATOM 800 O LYS A 776 2.823 13.860 10.576 1.00 1.00 O ATOM 801 CB LYS A 776 1.753 15.838 12.319 1.00 1.00 C ATOM 802 CG LYS A 776 0.699 16.818 12.862 1.00 1.00 C ATOM 803 CD LYS A 776 0.603 16.838 14.393 1.00 1.00 C ATOM 804 CE LYS A 776 -0.418 17.853 14.904 1.00 1.00 C ATOM 805 NZ LYS A 776 -1.803 17.488 14.545 1.00 1.00 N ATOM 0 H LYS A 776 2.471 13.992 14.148 1.00 1.00 H new ATOM 0 HA LYS A 776 0.288 14.356 12.141 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.686 15.985 12.862 1.00 1.00 H new ATOM 0 HB3 LYS A 776 1.952 16.075 11.274 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.934 17.822 12.509 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.275 16.555 12.450 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.332 15.844 14.749 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.582 17.071 14.812 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.336 17.933 15.988 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -0.186 18.836 14.493 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -2.464 18.160 14.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -1.914 17.520 13.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -2.008 16.527 14.886 1.00 1.00 H new ATOM 818 N ARG A 777 2.012 12.124 11.739 1.00 1.00 N ATOM 819 CA ARG A 777 2.719 11.039 11.082 1.00 1.00 C ATOM 820 C ARG A 777 1.685 10.058 10.572 1.00 1.00 C ATOM 821 O ARG A 777 1.599 8.927 11.043 1.00 1.00 O ATOM 822 CB ARG A 777 3.739 10.408 12.027 1.00 1.00 C ATOM 823 CG ARG A 777 5.019 11.248 12.050 1.00 1.00 C ATOM 824 CD ARG A 777 6.030 10.714 11.027 1.00 1.00 C ATOM 825 NE ARG A 777 7.355 11.319 11.196 1.00 1.00 N ATOM 826 CZ ARG A 777 8.375 10.852 11.923 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.220 9.828 12.760 1.00 1.00 N ATOM 828 NH2 ARG A 777 9.559 11.434 11.795 1.00 1.00 N ATOM 0 H ARG A 777 1.373 11.778 12.455 1.00 1.00 H new ATOM 0 HA ARG A 777 3.299 11.402 10.233 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.322 10.338 13.032 1.00 1.00 H new ATOM 0 HB3 ARG A 777 3.966 9.392 11.704 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.782 12.288 11.827 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.457 11.227 13.048 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.110 9.632 11.128 1.00 1.00 H new ATOM 0 HD3 ARG A 777 5.666 10.914 10.019 1.00 1.00 H new ATOM 0 HE ARG A 777 7.517 12.197 10.702 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.308 9.382 12.857 1.00 1.00 H new ATOM 0 HH12 ARG A 777 9.014 9.489 13.304 1.00 1.00 H new ATOM 0 HH21 ARG A 777 9.675 12.218 11.154 1.00 1.00 H new ATOM 0 HH22 ARG A 777 10.354 11.097 12.338 1.00 1.00 H new ATOM 842 N ARG A 778 0.827 10.524 9.669 1.00 1.00 N ATOM 843 CA ARG A 778 -0.149 9.653 9.033 1.00 1.00 C ATOM 844 C ARG A 778 0.596 8.783 8.028 1.00 1.00 C ATOM 845 O ARG A 778 1.568 9.252 7.436 1.00 1.00 O ATOM 846 CB ARG A 778 -1.224 10.509 8.355 1.00 1.00 C ATOM 847 CG ARG A 778 -2.520 9.724 8.122 1.00 1.00 C ATOM 848 CD ARG A 778 -3.572 10.615 7.446 1.00 1.00 C ATOM 849 NE ARG A 778 -3.730 10.280 6.027 1.00 1.00 N ATOM 850 CZ ARG A 778 -3.179 10.886 4.976 1.00 1.00 C ATOM 851 NH1 ARG A 778 -2.348 11.911 5.121 1.00 1.00 N ATOM 852 NH2 ARG A 778 -3.487 10.436 3.773 1.00 1.00 N ATOM 0 H ARG A 778 0.790 11.497 9.364 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.650 9.012 9.759 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.435 11.382 8.972 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -0.846 10.877 7.401 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.318 8.853 7.499 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.904 9.354 9.073 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.528 10.501 7.956 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.281 11.661 7.544 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.336 9.486 5.819 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -2.117 12.253 6.054 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -1.940 12.357 4.299 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -4.128 9.649 3.672 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -3.084 10.876 2.945 1.00 1.00 H new ATOM 866 N PHE A 779 0.191 7.539 7.821 1.00 1.00 N ATOM 867 CA PHE A 779 0.763 6.673 6.801 1.00 1.00 C ATOM 868 C PHE A 779 -0.254 5.599 6.426 1.00 1.00 C ATOM 869 O PHE A 779 -1.253 5.393 7.115 1.00 1.00 O ATOM 870 CB PHE A 779 2.108 6.073 7.256 1.00 1.00 C ATOM 871 CG PHE A 779 2.089 5.198 8.492 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.123 5.791 9.766 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.126 3.796 8.378 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.191 4.994 10.919 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.200 3.000 9.534 1.00 1.00 C ATOM 876 CZ PHE A 779 2.243 3.594 10.806 1.00 1.00 C ATOM 0 H PHE A 779 -0.552 7.098 8.362 1.00 1.00 H new ATOM 0 HA PHE A 779 0.985 7.263 5.912 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.513 5.486 6.432 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.802 6.894 7.433 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.097 6.867 9.858 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.098 3.332 7.403 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.203 5.457 11.895 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.224 1.924 9.444 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.316 2.979 11.691 1.00 1.00 H new ATOM 886 N ILE A 780 0.010 4.915 5.322 1.00 1.00 N ATOM 887 CA ILE A 780 -0.723 3.770 4.796 1.00 1.00 C ATOM 888 C ILE A 780 0.058 2.510 5.098 1.00 1.00 C ATOM 889 O ILE A 780 1.283 2.511 5.057 1.00 1.00 O ATOM 890 CB ILE A 780 -1.154 4.002 3.327 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.671 2.749 2.564 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.201 4.882 2.518 1.00 1.00 C ATOM 893 CD1 ILE A 780 -2.822 3.066 1.607 1.00 1.00 C ATOM 0 H ILE A 780 0.800 5.163 4.726 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.681 3.637 5.298 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.056 4.604 3.439 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -0.848 2.308 2.001 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -2.001 2.001 3.285 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.580 4.991 1.502 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.128 5.864 2.985 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.785 4.419 2.489 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.139 2.152 1.104 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.659 3.480 2.169 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -2.489 3.792 0.865 1.00 1.00 H new ATOM 905 N THR A 781 -0.650 1.446 5.446 1.00 1.00 N ATOM 906 CA THR A 781 -0.088 0.136 5.670 1.00 1.00 C ATOM 907 C THR A 781 -0.873 -0.826 4.794 1.00 1.00 C ATOM 908 O THR A 781 -2.088 -0.709 4.636 1.00 1.00 O ATOM 909 CB THR A 781 -0.205 -0.238 7.155 1.00 1.00 C ATOM 910 OG1 THR A 781 0.666 0.561 7.933 1.00 1.00 O ATOM 911 CG2 THR A 781 0.157 -1.701 7.410 1.00 1.00 C ATOM 0 H THR A 781 -1.660 1.478 5.583 1.00 1.00 H new ATOM 0 HA THR A 781 0.972 0.102 5.416 1.00 1.00 H new ATOM 0 HB THR A 781 -1.245 -0.071 7.435 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.581 0.314 8.877 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.060 -1.920 8.473 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.515 -2.346 6.844 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.185 -1.882 7.095 1.00 1.00 H new ATOM 919 N VAL A 782 -0.171 -1.795 4.237 1.00 1.00 N ATOM 920 CA VAL A 782 -0.715 -2.884 3.463 1.00 1.00 C ATOM 921 C VAL A 782 -0.006 -4.148 3.921 1.00 1.00 C ATOM 922 O VAL A 782 1.208 -4.135 4.108 1.00 1.00 O ATOM 923 CB VAL A 782 -0.633 -2.624 1.948 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.781 -1.746 1.462 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.611 -1.827 1.535 1.00 1.00 C ATOM 0 H VAL A 782 0.845 -1.842 4.319 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.785 -2.994 3.638 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.638 -3.626 1.519 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.687 -1.586 0.388 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.730 -2.238 1.674 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.747 -0.786 1.976 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.606 -1.679 0.455 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.604 -0.858 2.034 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.507 -2.377 1.822 1.00 1.00 H new ATOM 935 N SER A 783 -0.762 -5.219 4.146 1.00 1.00 N ATOM 936 CA SER A 783 -0.251 -6.494 4.655 1.00 1.00 C ATOM 937 C SER A 783 -0.647 -7.618 3.706 1.00 1.00 C ATOM 938 O SER A 783 -1.700 -7.534 3.080 1.00 1.00 O ATOM 939 CB SER A 783 -0.752 -6.766 6.072 1.00 1.00 C ATOM 940 OG SER A 783 -0.525 -5.656 6.926 1.00 1.00 O ATOM 0 H SER A 783 -1.768 -5.228 3.977 1.00 1.00 H new ATOM 0 HA SER A 783 0.837 -6.441 4.705 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.818 -6.993 6.045 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.249 -7.645 6.475 1.00 1.00 H new ATOM 0 HG SER A 783 -0.858 -5.861 7.825 1.00 1.00 H new ATOM 946 N LYS A 784 0.177 -8.657 3.602 1.00 1.00 N ATOM 947 CA LYS A 784 0.036 -9.777 2.667 1.00 1.00 C ATOM 948 C LYS A 784 -0.694 -10.995 3.169 1.00 1.00 C ATOM 949 O LYS A 784 -0.317 -11.509 4.221 1.00 1.00 O ATOM 950 CB LYS A 784 1.433 -10.267 2.242 1.00 1.00 C ATOM 951 CG LYS A 784 2.034 -9.411 1.130 1.00 1.00 C ATOM 952 CD LYS A 784 1.855 -9.990 -0.286 1.00 1.00 C ATOM 953 CE LYS A 784 0.656 -10.915 -0.575 1.00 1.00 C ATOM 954 NZ LYS A 784 1.033 -12.345 -0.580 1.00 1.00 N ATOM 0 H LYS A 784 1.002 -8.748 4.195 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.565 -9.356 1.861 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.098 -10.256 3.106 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.366 -11.301 1.905 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.580 -8.421 1.165 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.099 -9.280 1.324 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.796 -9.150 -0.979 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.762 -10.542 -0.532 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.116 -10.749 0.176 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.223 -10.653 -1.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.176 -12.930 -0.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.531 -12.570 -1.465 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.657 -12.542 0.228 1.00 1.00 H new ATOM 967 N ARG A 785 -1.705 -11.470 2.427 1.00 1.00 N ATOM 968 CA ARG A 785 -2.321 -12.727 2.833 1.00 1.00 C ATOM 969 C ARG A 785 -1.251 -13.756 2.463 1.00 1.00 C ATOM 970 O ARG A 785 -0.932 -13.905 1.277 1.00 1.00 O ATOM 971 CB ARG A 785 -3.629 -12.984 2.075 1.00 1.00 C ATOM 972 CG ARG A 785 -4.753 -12.036 2.517 1.00 1.00 C ATOM 973 CD ARG A 785 -5.948 -12.159 1.573 1.00 1.00 C ATOM 974 NE ARG A 785 -6.882 -11.036 1.725 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.937 -10.816 0.936 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.288 -11.698 0.009 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.631 -9.696 1.055 1.00 1.00 N ATOM 0 H ARG A 785 -2.091 -11.029 1.592 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.600 -12.750 3.886 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.456 -12.865 1.005 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -3.943 -14.016 2.235 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -5.059 -12.273 3.536 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.390 -11.008 2.524 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -5.594 -12.201 0.543 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.471 -13.095 1.769 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.713 -10.378 2.486 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -7.750 -12.557 -0.108 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.096 -11.517 -0.587 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.360 -9.000 1.750 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.437 -9.529 0.452 1.00 1.00 H new ATOM 991 N ALA A 786 -0.655 -14.414 3.452 1.00 1.00 N ATOM 992 CA ALA A 786 0.434 -15.359 3.287 1.00 1.00 C ATOM 993 C ALA A 786 -0.004 -16.637 3.963 1.00 1.00 C ATOM 994 O ALA A 786 -0.421 -16.558 5.137 1.00 1.00 O ATOM 995 CB ALA A 786 1.745 -14.801 3.854 1.00 1.00 C ATOM 0 H ALA A 786 -0.931 -14.296 4.427 1.00 1.00 H new ATOM 0 HA ALA A 786 0.644 -15.550 2.235 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.542 -15.532 3.715 1.00 1.00 H new ATOM 0 HB2 ALA A 786 2.004 -13.879 3.333 1.00 1.00 H new ATOM 0 HB3 ALA A 786 1.623 -14.595 4.917 1.00 1.00 H new TER 1001 ALA A 786