USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 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 136:sc= 1.04 USER MOD Set 1.2: A 781 THR OG1 : rot -69:sc= 0.901 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -2.38! K(o=-2.5!,f=-3.3) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -0.133 X(o=-2.5,f=-2.8) USER MOD Set 3.1: A 737 MET CE :methyl -163:sc= -0.189 (180deg=-0.502) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.235 X(o=-0.42,f=-0.59) USER MOD Single : A 728 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.12) USER MOD Single : A 732 MET CE :methyl -167:sc=-0.00058 (180deg=-0.384) USER MOD Single : A 739 SER OG : rot 180:sc= -0.0885 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 163:sc= -0.456 (180deg=-0.826) USER MOD Single : A 743 GLN : amide:sc= 0.43 K(o=0.43,f=-3.4!) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0554 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= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 760 GLN : amide:sc= 0.858 K(o=0.86,f=-5.7!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 171:sc=-0.00519 (180deg=-0.0994) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 139:sc= 0.356 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.957 3.366 -11.695 1.00 1.00 N ATOM 25 CA ASP A 727 3.998 2.408 -12.042 1.00 1.00 C ATOM 26 C ASP A 727 4.790 2.071 -10.789 1.00 1.00 C ATOM 27 O ASP A 727 4.648 0.980 -10.252 1.00 1.00 O ATOM 28 CB ASP A 727 4.884 2.991 -13.147 1.00 1.00 C ATOM 29 CG ASP A 727 5.837 1.966 -13.757 1.00 1.00 C ATOM 30 OD1 ASP A 727 5.699 0.750 -13.516 1.00 1.00 O ATOM 31 OD2 ASP A 727 6.678 2.383 -14.585 1.00 1.00 O ATOM 0 HA ASP A 727 3.563 1.486 -12.427 1.00 1.00 H new ATOM 0 HB2 ASP A 727 4.250 3.401 -13.933 1.00 1.00 H new ATOM 0 HB3 ASP A 727 5.464 3.819 -12.740 1.00 1.00 H new ATOM 36 N HIS A 728 5.512 3.051 -10.240 1.00 1.00 N ATOM 37 CA HIS A 728 6.415 2.905 -9.104 1.00 1.00 C ATOM 38 C HIS A 728 5.753 2.232 -7.899 1.00 1.00 C ATOM 39 O HIS A 728 6.267 1.222 -7.410 1.00 1.00 O ATOM 40 CB HIS A 728 6.964 4.285 -8.729 1.00 1.00 C ATOM 41 CG HIS A 728 7.694 4.997 -9.837 1.00 1.00 C ATOM 42 ND1 HIS A 728 8.299 4.437 -10.943 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.834 6.352 -9.924 1.00 1.00 C ATOM 44 CE1 HIS A 728 8.772 5.437 -11.700 1.00 1.00 C ATOM 45 NE2 HIS A 728 8.506 6.628 -11.122 1.00 1.00 N ATOM 0 H HIS A 728 5.479 4.007 -10.593 1.00 1.00 H new ATOM 0 HA HIS A 728 7.230 2.245 -9.402 1.00 1.00 H new ATOM 0 HB2 HIS A 728 6.136 4.912 -8.397 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.640 4.173 -7.881 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.490 7.078 -9.202 1.00 1.00 H new ATOM 0 HE1 HIS A 728 9.292 5.308 -12.638 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.747 7.549 -11.487 1.00 1.00 H new ATOM 53 N PHE A 729 4.617 2.759 -7.419 1.00 1.00 N ATOM 54 CA PHE A 729 3.925 2.133 -6.298 1.00 1.00 C ATOM 55 C PHE A 729 3.531 0.716 -6.661 1.00 1.00 C ATOM 56 O PHE A 729 3.787 -0.192 -5.880 1.00 1.00 O ATOM 57 CB PHE A 729 2.651 2.882 -5.869 1.00 1.00 C ATOM 58 CG PHE A 729 2.803 4.343 -5.519 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.542 4.711 -4.384 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.159 5.335 -6.284 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.662 6.062 -4.028 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.282 6.687 -5.934 1.00 1.00 C ATOM 63 CZ PHE A 729 3.028 7.048 -4.802 1.00 1.00 C ATOM 0 H PHE A 729 4.170 3.600 -7.785 1.00 1.00 H new ATOM 0 HA PHE A 729 4.626 2.155 -5.464 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.922 2.800 -6.675 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.230 2.368 -5.005 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.020 3.951 -3.783 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.568 5.053 -7.143 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.241 6.344 -3.161 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.804 7.448 -6.534 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.115 8.088 -4.525 1.00 1.00 H new ATOM 73 N ARG A 730 2.910 0.508 -7.828 1.00 1.00 N ATOM 74 CA ARG A 730 2.448 -0.818 -8.203 1.00 1.00 C ATOM 75 C ARG A 730 3.621 -1.782 -8.254 1.00 1.00 C ATOM 76 O ARG A 730 3.465 -2.898 -7.778 1.00 1.00 O ATOM 77 CB ARG A 730 1.667 -0.785 -9.522 1.00 1.00 C ATOM 78 CG ARG A 730 1.024 -2.153 -9.820 1.00 1.00 C ATOM 79 CD ARG A 730 1.814 -2.984 -10.839 1.00 1.00 C ATOM 80 NE ARG A 730 1.702 -2.388 -12.175 1.00 1.00 N ATOM 81 CZ ARG A 730 2.675 -2.137 -13.053 1.00 1.00 C ATOM 82 NH1 ARG A 730 3.923 -2.529 -12.845 1.00 1.00 N ATOM 83 NH2 ARG A 730 2.377 -1.473 -14.155 1.00 1.00 N ATOM 0 H ARG A 730 2.721 1.236 -8.517 1.00 1.00 H new ATOM 0 HA ARG A 730 1.754 -1.176 -7.443 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.893 -0.019 -9.471 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.336 -0.509 -10.337 1.00 1.00 H new ATOM 0 HG2 ARG A 730 0.937 -2.716 -8.891 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.012 -1.998 -10.194 1.00 1.00 H new ATOM 0 HD2 ARG A 730 2.862 -3.036 -10.543 1.00 1.00 H new ATOM 0 HD3 ARG A 730 1.437 -4.006 -10.856 1.00 1.00 H new ATOM 0 HE ARG A 730 0.760 -2.133 -12.471 1.00 1.00 H new ATOM 0 HH11 ARG A 730 4.163 -3.038 -11.994 1.00 1.00 H new ATOM 0 HH12 ARG A 730 4.644 -2.322 -13.536 1.00 1.00 H new ATOM 0 HH21 ARG A 730 1.419 -1.163 -14.321 1.00 1.00 H new ATOM 0 HH22 ARG A 730 3.105 -1.270 -14.840 1.00 1.00 H new ATOM 97 N ALA A 731 4.776 -1.375 -8.773 1.00 1.00 N ATOM 98 CA ALA A 731 5.958 -2.211 -8.795 1.00 1.00 C ATOM 99 C ALA A 731 6.405 -2.570 -7.383 1.00 1.00 C ATOM 100 O ALA A 731 6.777 -3.724 -7.156 1.00 1.00 O ATOM 101 CB ALA A 731 7.078 -1.519 -9.580 1.00 1.00 C ATOM 0 H ALA A 731 4.912 -0.454 -9.189 1.00 1.00 H new ATOM 0 HA ALA A 731 5.713 -3.145 -9.301 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.962 -2.156 -9.590 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.748 -1.340 -10.603 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.321 -0.568 -9.105 1.00 1.00 H new ATOM 107 N MET A 732 6.337 -1.631 -6.433 1.00 1.00 N ATOM 108 CA MET A 732 6.644 -1.943 -5.044 1.00 1.00 C ATOM 109 C MET A 732 5.652 -2.974 -4.511 1.00 1.00 C ATOM 110 O MET A 732 6.064 -3.948 -3.885 1.00 1.00 O ATOM 111 CB MET A 732 6.624 -0.670 -4.199 1.00 1.00 C ATOM 112 CG MET A 732 7.838 0.223 -4.479 1.00 1.00 C ATOM 113 SD MET A 732 7.570 1.968 -4.069 1.00 1.00 S ATOM 114 CE MET A 732 7.628 1.887 -2.261 1.00 1.00 C ATOM 0 H MET A 732 6.074 -0.660 -6.603 1.00 1.00 H new ATOM 0 HA MET A 732 7.645 -2.369 -4.985 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.709 -0.113 -4.403 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.606 -0.936 -3.142 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.690 -0.148 -3.909 1.00 1.00 H new ATOM 0 HG3 MET A 732 8.101 0.143 -5.534 1.00 1.00 H new ATOM 0 HE1 MET A 732 7.255 2.822 -1.843 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.007 1.061 -1.914 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.657 1.729 -1.937 1.00 1.00 H new ATOM 124 N ILE A 733 4.354 -2.801 -4.774 1.00 1.00 N ATOM 125 CA ILE A 733 3.354 -3.762 -4.326 1.00 1.00 C ATOM 126 C ILE A 733 3.563 -5.126 -4.993 1.00 1.00 C ATOM 127 O ILE A 733 3.438 -6.143 -4.325 1.00 1.00 O ATOM 128 CB ILE A 733 1.888 -3.256 -4.461 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.704 -1.765 -4.102 1.00 1.00 C ATOM 130 CG2 ILE A 733 1.012 -4.097 -3.526 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.344 -1.273 -3.589 1.00 1.00 C ATOM 0 H ILE A 733 3.977 -2.008 -5.292 1.00 1.00 H new ATOM 0 HA ILE A 733 3.508 -3.884 -3.254 1.00 1.00 H new ATOM 0 HB ILE A 733 1.605 -3.359 -5.509 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.448 -1.517 -3.345 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.948 -1.183 -4.991 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.023 -3.764 -3.600 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.077 -5.147 -3.813 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.359 -3.980 -2.499 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.397 -0.203 -3.387 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.420 -1.463 -4.343 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.088 -1.803 -2.672 1.00 1.00 H new ATOM 143 N VAL A 734 3.889 -5.184 -6.279 1.00 1.00 N ATOM 144 CA VAL A 734 4.122 -6.435 -7.003 1.00 1.00 C ATOM 145 C VAL A 734 5.373 -7.149 -6.466 1.00 1.00 C ATOM 146 O VAL A 734 5.417 -8.386 -6.431 1.00 1.00 O ATOM 147 CB VAL A 734 4.104 -6.157 -8.515 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.594 -7.343 -9.349 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.668 -5.845 -8.967 1.00 1.00 C ATOM 0 H VAL A 734 4.001 -4.353 -6.860 1.00 1.00 H new ATOM 0 HA VAL A 734 3.317 -7.149 -6.828 1.00 1.00 H new ATOM 0 HB VAL A 734 4.777 -5.315 -8.677 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.557 -7.084 -10.407 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.620 -7.585 -9.070 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.955 -8.206 -9.165 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.659 -5.648 -10.039 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.025 -6.697 -8.749 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.301 -4.968 -8.434 1.00 1.00 H new ATOM 159 N GLU A 735 6.393 -6.405 -6.030 1.00 1.00 N ATOM 160 CA GLU A 735 7.562 -6.995 -5.394 1.00 1.00 C ATOM 161 C GLU A 735 7.077 -7.574 -4.064 1.00 1.00 C ATOM 162 O GLU A 735 7.297 -8.747 -3.778 1.00 1.00 O ATOM 163 CB GLU A 735 8.639 -5.925 -5.176 1.00 1.00 C ATOM 164 CG GLU A 735 9.807 -6.435 -4.319 1.00 1.00 C ATOM 165 CD GLU A 735 10.686 -5.271 -3.883 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.427 -4.722 -4.731 1.00 1.00 O ATOM 167 OE2 GLU A 735 10.587 -4.850 -2.708 1.00 1.00 O ATOM 0 H GLU A 735 6.428 -5.389 -6.109 1.00 1.00 H new ATOM 0 HA GLU A 735 8.011 -7.773 -6.011 1.00 1.00 H new ATOM 0 HB2 GLU A 735 9.019 -5.594 -6.142 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.191 -5.056 -4.694 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.424 -6.959 -3.443 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.398 -7.154 -4.887 1.00 1.00 H new ATOM 174 N PHE A 736 6.380 -6.764 -3.265 1.00 1.00 N ATOM 175 CA PHE A 736 5.857 -7.136 -1.962 1.00 1.00 C ATOM 176 C PHE A 736 4.911 -8.340 -2.059 1.00 1.00 C ATOM 177 O PHE A 736 4.874 -9.144 -1.133 1.00 1.00 O ATOM 178 CB PHE A 736 5.214 -5.881 -1.375 1.00 1.00 C ATOM 179 CG PHE A 736 4.428 -6.025 -0.093 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.033 -6.560 1.059 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.104 -5.546 -0.038 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.300 -6.638 2.255 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.378 -5.614 1.160 1.00 1.00 C ATOM 184 CZ PHE A 736 2.974 -6.179 2.297 1.00 1.00 C ATOM 0 H PHE A 736 6.160 -5.801 -3.521 1.00 1.00 H new ATOM 0 HA PHE A 736 6.646 -7.477 -1.291 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.004 -5.149 -1.203 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.549 -5.461 -2.130 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.055 -6.909 1.024 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.647 -5.125 -0.921 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.757 -7.051 3.142 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.368 -5.234 1.207 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.408 -6.262 3.213 1.00 1.00 H new ATOM 194 N MET A 737 4.192 -8.502 -3.171 1.00 1.00 N ATOM 195 CA MET A 737 3.333 -9.638 -3.481 1.00 1.00 C ATOM 196 C MET A 737 4.202 -10.873 -3.664 1.00 1.00 C ATOM 197 O MET A 737 4.028 -11.843 -2.927 1.00 1.00 O ATOM 198 CB MET A 737 2.499 -9.359 -4.740 1.00 1.00 C ATOM 199 CG MET A 737 1.275 -8.485 -4.452 1.00 1.00 C ATOM 200 SD MET A 737 -0.091 -9.346 -3.632 1.00 1.00 S ATOM 201 CE MET A 737 -0.639 -10.415 -4.992 1.00 1.00 C ATOM 0 H MET A 737 4.196 -7.806 -3.916 1.00 1.00 H new ATOM 0 HA MET A 737 2.636 -9.806 -2.660 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.125 -8.868 -5.485 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.172 -10.305 -5.172 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.583 -7.645 -3.830 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.913 -8.069 -5.392 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.640 -10.790 -4.779 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.655 -9.844 -5.920 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.049 -11.254 -5.095 1.00 1.00 H new ATOM 211 N ALA A 738 5.150 -10.836 -4.606 1.00 1.00 N ATOM 212 CA ALA A 738 6.023 -11.974 -4.865 1.00 1.00 C ATOM 213 C ALA A 738 6.907 -12.317 -3.660 1.00 1.00 C ATOM 214 O ALA A 738 7.331 -13.466 -3.528 1.00 1.00 O ATOM 215 CB ALA A 738 6.888 -11.690 -6.093 1.00 1.00 C ATOM 0 H ALA A 738 5.329 -10.026 -5.200 1.00 1.00 H new ATOM 0 HA ALA A 738 5.389 -12.841 -5.052 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.540 -12.543 -6.284 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.247 -11.522 -6.959 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.495 -10.803 -5.913 1.00 1.00 H new ATOM 221 N SER A 739 7.205 -11.350 -2.796 1.00 1.00 N ATOM 222 CA SER A 739 8.056 -11.499 -1.627 1.00 1.00 C ATOM 223 C SER A 739 7.255 -11.955 -0.403 1.00 1.00 C ATOM 224 O SER A 739 7.769 -12.733 0.398 1.00 1.00 O ATOM 225 CB SER A 739 8.746 -10.152 -1.398 1.00 1.00 C ATOM 226 OG SER A 739 9.818 -10.252 -0.490 1.00 1.00 O ATOM 0 H SER A 739 6.843 -10.402 -2.899 1.00 1.00 H new ATOM 0 HA SER A 739 8.802 -12.276 -1.791 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.113 -9.767 -2.350 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.019 -9.432 -1.022 1.00 1.00 H new ATOM 0 HG SER A 739 10.231 -9.371 -0.374 1.00 1.00 H new ATOM 232 N LYS A 740 6.009 -11.486 -0.241 1.00 1.00 N ATOM 233 CA LYS A 740 5.084 -11.776 0.858 1.00 1.00 C ATOM 234 C LYS A 740 5.782 -11.735 2.218 1.00 1.00 C ATOM 235 O LYS A 740 5.781 -12.721 2.952 1.00 1.00 O ATOM 236 CB LYS A 740 4.179 -13.005 0.590 1.00 1.00 C ATOM 237 CG LYS A 740 4.898 -14.344 0.345 1.00 1.00 C ATOM 238 CD LYS A 740 5.248 -14.579 -1.133 1.00 1.00 C ATOM 239 CE LYS A 740 6.401 -15.576 -1.280 1.00 1.00 C ATOM 240 NZ LYS A 740 5.948 -16.968 -1.122 1.00 1.00 N ATOM 0 H LYS A 740 5.595 -10.850 -0.923 1.00 1.00 H new ATOM 0 HA LYS A 740 4.362 -10.961 0.906 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.509 -13.128 1.441 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.556 -12.788 -0.278 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.812 -14.372 0.938 1.00 1.00 H new ATOM 0 HG3 LYS A 740 4.265 -15.159 0.696 1.00 1.00 H new ATOM 0 HD2 LYS A 740 4.371 -14.953 -1.661 1.00 1.00 H new ATOM 0 HD3 LYS A 740 5.521 -13.632 -1.599 1.00 1.00 H new ATOM 0 HE2 LYS A 740 6.864 -15.454 -2.259 1.00 1.00 H new ATOM 0 HE3 LYS A 740 7.167 -15.357 -0.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 6.758 -17.611 -1.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 5.530 -17.092 -0.178 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 5.236 -17.186 -1.848 1.00 1.00 H new ATOM 253 N LYS A 741 6.406 -10.592 2.537 1.00 1.00 N ATOM 254 CA LYS A 741 7.111 -10.381 3.793 1.00 1.00 C ATOM 255 C LYS A 741 6.094 -10.426 4.932 1.00 1.00 C ATOM 256 O LYS A 741 5.922 -11.484 5.520 1.00 1.00 O ATOM 257 CB LYS A 741 7.893 -9.072 3.711 1.00 1.00 C ATOM 258 CG LYS A 741 9.128 -9.232 2.817 1.00 1.00 C ATOM 259 CD LYS A 741 10.300 -10.008 3.443 1.00 1.00 C ATOM 260 CE LYS A 741 11.512 -9.910 2.510 1.00 1.00 C ATOM 261 NZ LYS A 741 12.688 -10.637 3.024 1.00 1.00 N ATOM 0 H LYS A 741 6.431 -9.783 1.917 1.00 1.00 H new ATOM 0 HA LYS A 741 7.843 -11.164 3.989 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.252 -8.284 3.316 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.199 -8.763 4.710 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.828 -9.738 1.899 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.481 -8.241 2.533 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.544 -9.597 4.423 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.024 -11.051 3.594 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.244 -10.307 1.531 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.772 -8.861 2.368 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.478 -10.537 2.355 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.964 -10.243 3.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.453 -11.644 3.134 1.00 1.00 H new ATOM 274 N MET A 742 5.386 -9.323 5.185 1.00 1.00 N ATOM 275 CA MET A 742 4.287 -9.168 6.142 1.00 1.00 C ATOM 276 C MET A 742 3.552 -7.878 5.804 1.00 1.00 C ATOM 277 O MET A 742 2.435 -7.947 5.302 1.00 1.00 O ATOM 278 CB MET A 742 4.726 -9.125 7.620 1.00 1.00 C ATOM 279 CG MET A 742 4.987 -10.474 8.296 1.00 1.00 C ATOM 280 SD MET A 742 3.517 -11.515 8.561 1.00 1.00 S ATOM 281 CE MET A 742 3.544 -12.638 7.134 1.00 1.00 C ATOM 0 H MET A 742 5.579 -8.452 4.691 1.00 1.00 H new ATOM 0 HA MET A 742 3.654 -10.050 6.047 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.635 -8.528 7.688 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.957 -8.602 8.189 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.701 -11.032 7.691 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.460 -10.292 9.261 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.898 -13.493 7.332 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.188 -12.111 6.249 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.563 -12.985 6.963 1.00 1.00 H new ATOM 291 N GLN A 743 4.191 -6.715 5.965 1.00 1.00 N ATOM 292 CA GLN A 743 3.553 -5.416 5.763 1.00 1.00 C ATOM 293 C GLN A 743 4.481 -4.465 5.007 1.00 1.00 C ATOM 294 O GLN A 743 5.681 -4.732 4.895 1.00 1.00 O ATOM 295 CB GLN A 743 3.030 -4.883 7.108 1.00 1.00 C ATOM 296 CG GLN A 743 4.106 -4.459 8.124 1.00 1.00 C ATOM 297 CD GLN A 743 4.463 -2.979 8.016 1.00 1.00 C ATOM 298 OE1 GLN A 743 3.581 -2.129 8.064 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.732 -2.638 7.882 1.00 1.00 N ATOM 0 H GLN A 743 5.171 -6.651 6.241 1.00 1.00 H new ATOM 0 HA GLN A 743 2.679 -5.515 5.119 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.385 -4.027 6.912 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.408 -5.653 7.565 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.752 -4.671 9.133 1.00 1.00 H new ATOM 0 HG3 GLN A 743 5.003 -5.058 7.969 1.00 1.00 H new ATOM 0 HE21 GLN A 743 6.453 -3.359 7.844 1.00 1.00 H new ATOM 0 HE22 GLN A 743 5.991 -1.654 7.817 1.00 1.00 H new ATOM 308 N LEU A 744 3.921 -3.395 4.445 1.00 1.00 N ATOM 309 CA LEU A 744 4.595 -2.355 3.679 1.00 1.00 C ATOM 310 C LEU A 744 3.897 -1.050 4.045 1.00 1.00 C ATOM 311 O LEU A 744 2.666 -0.967 3.984 1.00 1.00 O ATOM 312 CB LEU A 744 4.481 -2.662 2.171 1.00 1.00 C ATOM 313 CG LEU A 744 5.334 -1.804 1.209 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.070 -2.275 -0.224 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.064 -0.299 1.263 1.00 1.00 C ATOM 0 H LEU A 744 2.918 -3.223 4.519 1.00 1.00 H new ATOM 0 HA LEU A 744 5.660 -2.294 3.905 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.748 -3.708 2.018 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.435 -2.555 1.882 1.00 1.00 H new ATOM 0 HG LEU A 744 6.367 -1.943 1.528 1.00 1.00 H new ATOM 0 HD11 LEU A 744 5.664 -1.680 -0.918 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.346 -3.325 -0.318 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.012 -2.155 -0.457 1.00 1.00 H new ATOM 0 HD21 LEU A 744 5.712 0.213 0.552 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.022 -0.107 1.008 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.265 0.071 2.268 1.00 1.00 H new ATOM 327 N GLU A 745 4.676 -0.048 4.436 1.00 1.00 N ATOM 328 CA GLU A 745 4.226 1.258 4.845 1.00 1.00 C ATOM 329 C GLU A 745 4.468 2.223 3.683 1.00 1.00 C ATOM 330 O GLU A 745 5.619 2.442 3.296 1.00 1.00 O ATOM 331 CB GLU A 745 5.083 1.647 6.056 1.00 1.00 C ATOM 332 CG GLU A 745 4.717 0.810 7.283 1.00 1.00 C ATOM 333 CD GLU A 745 5.743 0.930 8.406 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.693 1.877 9.226 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.642 0.057 8.478 1.00 1.00 O ATOM 0 H GLU A 745 5.691 -0.140 4.475 1.00 1.00 H new ATOM 0 HA GLU A 745 3.168 1.281 5.106 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.138 1.508 5.819 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.944 2.705 6.279 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.741 1.123 7.653 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.626 -0.236 6.990 1.00 1.00 H new ATOM 342 N PHE A 746 3.411 2.760 3.083 1.00 1.00 N ATOM 343 CA PHE A 746 3.470 3.781 2.044 1.00 1.00 C ATOM 344 C PHE A 746 3.304 5.141 2.761 1.00 1.00 C ATOM 345 O PHE A 746 2.457 5.270 3.655 1.00 1.00 O ATOM 346 CB PHE A 746 2.426 3.508 0.945 1.00 1.00 C ATOM 347 CG PHE A 746 2.831 2.480 -0.095 1.00 1.00 C ATOM 348 CD1 PHE A 746 3.820 2.803 -1.043 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.204 1.217 -0.154 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.197 1.874 -2.022 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.591 0.285 -1.133 1.00 1.00 C ATOM 352 CZ PHE A 746 3.597 0.610 -2.060 1.00 1.00 C ATOM 0 H PHE A 746 2.456 2.486 3.315 1.00 1.00 H new ATOM 0 HA PHE A 746 4.421 3.779 1.511 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.502 3.176 1.419 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.204 4.446 0.437 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.292 3.774 -1.016 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.427 0.966 0.553 1.00 1.00 H new ATOM 0 HE1 PHE A 746 4.952 2.134 -2.749 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.114 -0.683 -1.173 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.906 -0.114 -2.800 1.00 1.00 H new ATOM 362 N PRO A 747 4.079 6.175 2.387 1.00 1.00 N ATOM 363 CA PRO A 747 4.075 7.458 3.086 1.00 1.00 C ATOM 364 C PRO A 747 2.761 8.246 2.952 1.00 1.00 C ATOM 365 O PRO A 747 2.048 8.106 1.961 1.00 1.00 O ATOM 366 CB PRO A 747 5.266 8.227 2.498 1.00 1.00 C ATOM 367 CG PRO A 747 5.399 7.660 1.086 1.00 1.00 C ATOM 368 CD PRO A 747 5.028 6.193 1.283 1.00 1.00 C ATOM 0 HA PRO A 747 4.161 7.305 4.162 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.081 9.301 2.483 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.173 8.068 3.081 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.729 8.157 0.384 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.411 7.774 0.697 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.585 5.776 0.379 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.909 5.593 1.513 1.00 1.00 H new ATOM 376 N PRO A 748 2.472 9.181 3.877 1.00 1.00 N ATOM 377 CA PRO A 748 1.298 10.054 3.832 1.00 1.00 C ATOM 378 C PRO A 748 1.302 10.990 2.628 1.00 1.00 C ATOM 379 O PRO A 748 0.248 11.517 2.278 1.00 1.00 O ATOM 380 CB PRO A 748 1.298 10.871 5.122 1.00 1.00 C ATOM 381 CG PRO A 748 2.773 10.884 5.510 1.00 1.00 C ATOM 382 CD PRO A 748 3.297 9.534 5.021 1.00 1.00 C ATOM 0 HA PRO A 748 0.403 9.440 3.736 1.00 1.00 H new ATOM 0 HB2 PRO A 748 0.912 11.878 4.964 1.00 1.00 H new ATOM 0 HB3 PRO A 748 0.680 10.410 5.893 1.00 1.00 H new ATOM 0 HG2 PRO A 748 3.302 11.712 5.038 1.00 1.00 H new ATOM 0 HG3 PRO A 748 2.901 10.996 6.587 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.348 9.601 4.740 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.224 8.779 5.804 1.00 1.00 H new ATOM 390 N SER A 749 2.478 11.268 2.064 1.00 1.00 N ATOM 391 CA SER A 749 2.768 12.198 0.981 1.00 1.00 C ATOM 392 C SER A 749 1.884 12.036 -0.269 1.00 1.00 C ATOM 393 O SER A 749 1.947 12.876 -1.171 1.00 1.00 O ATOM 394 CB SER A 749 4.259 12.053 0.645 1.00 1.00 C ATOM 395 OG SER A 749 5.020 11.983 1.846 1.00 1.00 O ATOM 0 H SER A 749 3.327 10.803 2.386 1.00 1.00 H new ATOM 0 HA SER A 749 2.530 13.204 1.326 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.421 11.155 0.048 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.589 12.900 0.043 1.00 1.00 H new ATOM 0 HG SER A 749 5.970 11.889 1.626 1.00 1.00 H new ATOM 401 N LEU A 750 1.093 10.965 -0.371 1.00 1.00 N ATOM 402 CA LEU A 750 0.128 10.755 -1.438 1.00 1.00 C ATOM 403 C LEU A 750 -0.906 11.872 -1.336 1.00 1.00 C ATOM 404 O LEU A 750 -1.318 12.231 -0.230 1.00 1.00 O ATOM 405 CB LEU A 750 -0.547 9.384 -1.248 1.00 1.00 C ATOM 406 CG LEU A 750 0.235 8.143 -1.739 1.00 1.00 C ATOM 407 CD1 LEU A 750 1.657 8.416 -2.190 1.00 1.00 C ATOM 408 CD2 LEU A 750 0.232 6.977 -0.761 1.00 1.00 C ATOM 0 H LEU A 750 1.111 10.203 0.307 1.00 1.00 H new ATOM 0 HA LEU A 750 0.607 10.769 -2.417 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.757 9.254 -0.186 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.508 9.405 -1.763 1.00 1.00 H new ATOM 0 HG LEU A 750 -0.337 7.855 -2.621 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.121 7.485 -2.515 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.646 9.125 -3.018 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.227 8.835 -1.361 1.00 1.00 H new ATOM 0 HD21 LEU A 750 0.802 6.148 -1.181 1.00 1.00 H new ATOM 0 HD22 LEU A 750 0.686 7.290 0.179 1.00 1.00 H new ATOM 0 HD23 LEU A 750 -0.794 6.657 -0.580 1.00 1.00 H new ATOM 420 N ASN A 751 -1.329 12.432 -2.473 1.00 1.00 N ATOM 421 CA ASN A 751 -2.347 13.480 -2.427 1.00 1.00 C ATOM 422 C ASN A 751 -3.708 12.815 -2.250 1.00 1.00 C ATOM 423 O ASN A 751 -4.239 12.823 -1.139 1.00 1.00 O ATOM 424 CB ASN A 751 -2.268 14.439 -3.620 1.00 1.00 C ATOM 425 CG ASN A 751 -1.192 15.497 -3.420 1.00 1.00 C ATOM 426 OD1 ASN A 751 -1.497 16.669 -3.207 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.078 15.135 -3.487 1.00 1.00 N ATOM 0 H ASN A 751 -0.995 12.187 -3.405 1.00 1.00 H new ATOM 0 HA ASN A 751 -2.169 14.131 -1.571 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -2.059 13.874 -4.528 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -3.234 14.924 -3.762 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.814 15.830 -3.362 1.00 1.00 H new ATOM 0 HD22 ASN A 751 0.322 14.161 -3.664 1.00 1.00 H new ATOM 434 N SER A 752 -4.211 12.145 -3.288 1.00 1.00 N ATOM 435 CA SER A 752 -5.458 11.388 -3.234 1.00 1.00 C ATOM 436 C SER A 752 -5.356 10.156 -4.134 1.00 1.00 C ATOM 437 O SER A 752 -5.327 9.035 -3.628 1.00 1.00 O ATOM 438 CB SER A 752 -6.636 12.279 -3.641 1.00 1.00 C ATOM 439 OG SER A 752 -6.709 13.441 -2.843 1.00 1.00 O ATOM 0 H SER A 752 -3.756 12.114 -4.201 1.00 1.00 H new ATOM 0 HA SER A 752 -5.632 11.050 -2.212 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.534 12.562 -4.689 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.566 11.717 -3.552 1.00 1.00 H new ATOM 0 HG SER A 752 -7.470 13.988 -3.130 1.00 1.00 H new ATOM 445 N HIS A 753 -5.249 10.356 -5.453 1.00 1.00 N ATOM 446 CA HIS A 753 -5.239 9.302 -6.464 1.00 1.00 C ATOM 447 C HIS A 753 -4.174 8.241 -6.213 1.00 1.00 C ATOM 448 O HIS A 753 -4.398 7.076 -6.540 1.00 1.00 O ATOM 449 CB HIS A 753 -5.011 9.903 -7.852 1.00 1.00 C ATOM 450 CG HIS A 753 -6.072 10.876 -8.278 1.00 1.00 C ATOM 451 ND1 HIS A 753 -5.866 12.192 -8.628 1.00 1.00 N ATOM 452 CD2 HIS A 753 -7.389 10.578 -8.495 1.00 1.00 C ATOM 453 CE1 HIS A 753 -7.040 12.688 -9.053 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.991 11.738 -8.989 1.00 1.00 N ATOM 0 H HIS A 753 -5.164 11.289 -5.855 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.213 8.817 -6.405 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -4.044 10.407 -7.864 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.959 9.095 -8.582 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -7.871 9.628 -8.318 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.197 13.700 -9.396 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -8.971 11.845 -9.253 1.00 1.00 H new ATOM 462 N ASP A 754 -3.018 8.625 -5.664 1.00 1.00 N ATOM 463 CA ASP A 754 -1.915 7.728 -5.410 1.00 1.00 C ATOM 464 C ASP A 754 -2.342 6.746 -4.307 1.00 1.00 C ATOM 465 O ASP A 754 -2.272 5.533 -4.485 1.00 1.00 O ATOM 466 CB ASP A 754 -0.709 8.583 -5.000 1.00 1.00 C ATOM 467 CG ASP A 754 -0.231 9.602 -6.032 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.015 9.263 -7.213 1.00 1.00 O ATOM 469 OD2 ASP A 754 -0.135 10.793 -5.654 1.00 1.00 O ATOM 0 H ASP A 754 -2.831 9.588 -5.383 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.638 7.143 -6.287 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.961 9.115 -4.082 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.121 7.917 -4.765 1.00 1.00 H new ATOM 474 N ARG A 755 -2.861 7.261 -3.181 1.00 1.00 N ATOM 475 CA ARG A 755 -3.339 6.477 -2.035 1.00 1.00 C ATOM 476 C ARG A 755 -4.524 5.611 -2.445 1.00 1.00 C ATOM 477 O ARG A 755 -4.593 4.440 -2.082 1.00 1.00 O ATOM 478 CB ARG A 755 -3.718 7.438 -0.891 1.00 1.00 C ATOM 479 CG ARG A 755 -4.236 6.760 0.388 1.00 1.00 C ATOM 480 CD ARG A 755 -4.507 7.858 1.432 1.00 1.00 C ATOM 481 NE ARG A 755 -5.086 7.373 2.701 1.00 1.00 N ATOM 482 CZ ARG A 755 -5.317 8.150 3.774 1.00 1.00 C ATOM 483 NH1 ARG A 755 -4.930 9.425 3.785 1.00 1.00 N ATOM 484 NH2 ARG A 755 -5.933 7.641 4.834 1.00 1.00 N ATOM 0 H ARG A 755 -2.962 8.266 -3.040 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.549 5.811 -1.687 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.844 8.038 -0.637 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.482 8.126 -1.254 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.147 6.199 0.180 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.502 6.048 0.766 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.571 8.373 1.649 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -5.183 8.594 0.998 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.326 6.384 2.768 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -4.454 9.820 2.974 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -5.110 10.006 4.604 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -6.229 6.665 4.832 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -6.111 8.226 5.650 1.00 1.00 H new ATOM 498 N LEU A 756 -5.457 6.193 -3.194 1.00 1.00 N ATOM 499 CA LEU A 756 -6.607 5.506 -3.761 1.00 1.00 C ATOM 500 C LEU A 756 -6.145 4.310 -4.590 1.00 1.00 C ATOM 501 O LEU A 756 -6.652 3.208 -4.395 1.00 1.00 O ATOM 502 CB LEU A 756 -7.457 6.520 -4.510 1.00 1.00 C ATOM 503 CG LEU A 756 -8.582 5.946 -5.397 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.743 6.945 -5.442 1.00 1.00 C ATOM 505 CD2 LEU A 756 -8.122 5.711 -6.842 1.00 1.00 C ATOM 0 H LEU A 756 -5.430 7.185 -3.428 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.246 5.080 -2.988 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.906 7.195 -3.781 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.799 7.121 -5.138 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.879 4.991 -4.963 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.542 6.546 -6.067 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -10.120 7.110 -4.433 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.394 7.890 -5.858 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.949 5.307 -7.426 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.797 6.655 -7.279 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.293 5.004 -6.849 1.00 1.00 H new ATOM 517 N ARG A 757 -5.162 4.484 -5.479 1.00 1.00 N ATOM 518 CA ARG A 757 -4.639 3.361 -6.248 1.00 1.00 C ATOM 519 C ARG A 757 -3.989 2.338 -5.325 1.00 1.00 C ATOM 520 O ARG A 757 -4.243 1.158 -5.521 1.00 1.00 O ATOM 521 CB ARG A 757 -3.686 3.820 -7.344 1.00 1.00 C ATOM 522 CG ARG A 757 -3.413 2.734 -8.404 1.00 1.00 C ATOM 523 CD ARG A 757 -4.514 2.527 -9.460 1.00 1.00 C ATOM 524 NE ARG A 757 -5.347 1.330 -9.229 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.068 0.065 -9.580 1.00 1.00 C ATOM 526 NH1 ARG A 757 -3.933 -0.223 -10.202 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.919 -0.922 -9.314 1.00 1.00 N ATOM 0 H ARG A 757 -4.720 5.381 -5.679 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.478 2.877 -6.748 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -4.102 4.700 -7.834 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.742 4.123 -6.892 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.486 2.983 -8.920 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.248 1.787 -7.890 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.157 3.407 -9.478 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.051 2.451 -10.444 1.00 1.00 H new ATOM 0 HE ARG A 757 -6.234 1.481 -8.749 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -3.266 0.519 -10.416 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -3.726 -1.186 -10.466 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -6.798 -0.723 -8.837 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.692 -1.878 -9.587 1.00 1.00 H new ATOM 541 N VAL A 758 -3.182 2.741 -4.338 1.00 1.00 N ATOM 542 CA VAL A 758 -2.578 1.793 -3.391 1.00 1.00 C ATOM 543 C VAL A 758 -3.676 0.902 -2.778 1.00 1.00 C ATOM 544 O VAL A 758 -3.525 -0.322 -2.778 1.00 1.00 O ATOM 545 CB VAL A 758 -1.710 2.526 -2.337 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.267 1.616 -1.179 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.435 3.095 -2.983 1.00 1.00 C ATOM 0 H VAL A 758 -2.931 3.716 -4.173 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.890 1.134 -3.920 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.345 3.319 -1.941 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.663 2.190 -0.476 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -2.146 1.225 -0.667 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.678 0.788 -1.572 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.160 3.606 -2.226 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.148 2.282 -3.415 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.708 3.802 -3.767 1.00 1.00 H new ATOM 557 N HIS A 759 -4.791 1.486 -2.310 1.00 1.00 N ATOM 558 CA HIS A 759 -5.931 0.721 -1.806 1.00 1.00 C ATOM 559 C HIS A 759 -6.468 -0.229 -2.872 1.00 1.00 C ATOM 560 O HIS A 759 -6.641 -1.408 -2.588 1.00 1.00 O ATOM 561 CB HIS A 759 -7.074 1.632 -1.341 1.00 1.00 C ATOM 562 CG HIS A 759 -6.817 2.351 -0.047 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.588 1.774 1.180 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.811 3.704 0.122 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.409 2.762 2.073 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.566 3.964 1.479 1.00 1.00 N ATOM 0 H HIS A 759 -4.922 2.497 -2.273 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.565 0.151 -0.952 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.271 2.370 -2.118 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.978 1.032 -1.234 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.967 4.443 -0.650 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.173 2.615 3.117 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.516 4.879 1.927 1.00 1.00 H new ATOM 574 N GLN A 760 -6.744 0.269 -4.077 1.00 1.00 N ATOM 575 CA GLN A 760 -7.288 -0.519 -5.165 1.00 1.00 C ATOM 576 C GLN A 760 -6.399 -1.724 -5.474 1.00 1.00 C ATOM 577 O GLN A 760 -6.915 -2.830 -5.480 1.00 1.00 O ATOM 578 CB GLN A 760 -7.475 0.360 -6.398 1.00 1.00 C ATOM 579 CG GLN A 760 -8.658 1.336 -6.316 1.00 1.00 C ATOM 580 CD GLN A 760 -8.720 2.237 -7.549 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.726 2.447 -8.244 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.872 2.799 -7.864 1.00 1.00 N ATOM 0 H GLN A 760 -6.591 1.247 -4.321 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.261 -0.906 -4.862 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.561 0.931 -6.563 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.611 -0.282 -7.268 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.589 0.776 -6.225 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.565 1.949 -5.419 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.697 2.627 -7.290 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.937 3.406 -8.682 1.00 1.00 H new ATOM 591 N ILE A 761 -5.093 -1.556 -5.718 1.00 1.00 N ATOM 592 CA ILE A 761 -4.138 -2.640 -5.920 1.00 1.00 C ATOM 593 C ILE A 761 -4.214 -3.635 -4.759 1.00 1.00 C ATOM 594 O ILE A 761 -4.197 -4.843 -4.980 1.00 1.00 O ATOM 595 CB ILE A 761 -2.723 -2.036 -6.071 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.696 -1.063 -7.260 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.680 -3.147 -6.284 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.364 -0.332 -7.477 1.00 1.00 C ATOM 0 H ILE A 761 -4.664 -0.633 -5.781 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.378 -3.191 -6.829 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.476 -1.497 -5.156 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.940 -1.616 -8.167 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.481 -0.320 -7.119 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.690 -2.702 -6.388 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.686 -3.821 -5.427 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.923 -3.706 -7.188 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.448 0.330 -8.339 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.123 0.255 -6.591 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.574 -1.061 -7.656 1.00 1.00 H new ATOM 610 N ALA A 762 -4.278 -3.148 -3.521 1.00 1.00 N ATOM 611 CA ALA A 762 -4.380 -4.027 -2.370 1.00 1.00 C ATOM 612 C ALA A 762 -5.676 -4.845 -2.370 1.00 1.00 C ATOM 613 O ALA A 762 -5.634 -6.027 -2.023 1.00 1.00 O ATOM 614 CB ALA A 762 -4.193 -3.201 -1.096 1.00 1.00 C ATOM 0 H ALA A 762 -4.261 -2.153 -3.295 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.585 -4.771 -2.419 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -4.268 -3.853 -0.226 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -3.212 -2.727 -1.111 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.966 -2.434 -1.043 1.00 1.00 H new ATOM 620 N GLU A 763 -6.798 -4.241 -2.757 1.00 1.00 N ATOM 621 CA GLU A 763 -8.102 -4.888 -2.804 1.00 1.00 C ATOM 622 C GLU A 763 -8.158 -5.870 -3.985 1.00 1.00 C ATOM 623 O GLU A 763 -8.724 -6.953 -3.875 1.00 1.00 O ATOM 624 CB GLU A 763 -9.199 -3.816 -2.960 1.00 1.00 C ATOM 625 CG GLU A 763 -10.539 -4.171 -2.300 1.00 1.00 C ATOM 626 CD GLU A 763 -10.986 -5.629 -2.438 1.00 1.00 C ATOM 627 OE1 GLU A 763 -10.660 -6.448 -1.543 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.727 -5.956 -3.391 1.00 1.00 O ATOM 0 H GLU A 763 -6.823 -3.265 -3.053 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.265 -5.441 -1.879 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.837 -2.880 -2.535 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.368 -3.640 -4.022 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.475 -3.930 -1.239 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -11.313 -3.532 -2.726 1.00 1.00 H new ATOM 635 N GLU A 764 -7.575 -5.496 -5.123 1.00 1.00 N ATOM 636 CA GLU A 764 -7.448 -6.261 -6.338 1.00 1.00 C ATOM 637 C GLU A 764 -6.674 -7.542 -6.045 1.00 1.00 C ATOM 638 O GLU A 764 -7.060 -8.626 -6.491 1.00 1.00 O ATOM 639 CB GLU A 764 -6.741 -5.330 -7.330 1.00 1.00 C ATOM 640 CG GLU A 764 -6.488 -5.970 -8.680 1.00 1.00 C ATOM 641 CD GLU A 764 -5.701 -5.043 -9.610 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.898 -3.800 -9.602 1.00 1.00 O ATOM 643 OE2 GLU A 764 -4.893 -5.545 -10.424 1.00 1.00 O ATOM 0 H GLU A 764 -7.149 -4.574 -5.214 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.401 -6.583 -6.758 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.345 -4.433 -7.469 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.790 -5.011 -6.903 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -5.937 -6.901 -8.544 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.440 -6.228 -9.144 1.00 1.00 H new ATOM 650 N HIS A 765 -5.573 -7.421 -5.302 1.00 1.00 N ATOM 651 CA HIS A 765 -4.771 -8.512 -4.821 1.00 1.00 C ATOM 652 C HIS A 765 -5.454 -9.026 -3.548 1.00 1.00 C ATOM 653 O HIS A 765 -6.680 -9.040 -3.429 1.00 1.00 O ATOM 654 CB HIS A 765 -3.329 -8.042 -4.632 1.00 1.00 C ATOM 655 CG HIS A 765 -2.668 -7.604 -5.916 1.00 1.00 C ATOM 656 ND1 HIS A 765 -2.763 -8.179 -7.163 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.861 -6.517 -6.033 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.040 -7.425 -8.011 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.460 -6.395 -7.370 1.00 1.00 N ATOM 0 H HIS A 765 -5.212 -6.512 -5.014 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.703 -9.342 -5.524 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.315 -7.214 -3.924 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.746 -8.850 -4.189 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.576 -5.856 -5.228 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -1.939 -7.621 -9.068 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -0.856 -5.677 -7.772 1.00 1.00 H new ATOM 667 N GLY A 766 -4.674 -9.532 -2.608 1.00 1.00 N ATOM 668 CA GLY A 766 -5.105 -9.974 -1.315 1.00 1.00 C ATOM 669 C GLY A 766 -4.265 -9.287 -0.263 1.00 1.00 C ATOM 670 O GLY A 766 -3.426 -9.938 0.368 1.00 1.00 O ATOM 0 H GLY A 766 -3.670 -9.647 -2.745 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.160 -9.741 -1.168 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -5.003 -11.056 -1.232 1.00 1.00 H new ATOM 674 N LEU A 767 -4.448 -7.973 -0.100 1.00 1.00 N ATOM 675 CA LEU A 767 -3.760 -7.216 0.928 1.00 1.00 C ATOM 676 C LEU A 767 -4.764 -6.508 1.824 1.00 1.00 C ATOM 677 O LEU A 767 -5.740 -5.921 1.349 1.00 1.00 O ATOM 678 CB LEU A 767 -2.838 -6.149 0.324 1.00 1.00 C ATOM 679 CG LEU A 767 -1.861 -6.577 -0.767 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.017 -5.398 -1.235 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.888 -7.606 -0.240 1.00 1.00 C ATOM 0 H LEU A 767 -5.076 -7.415 -0.678 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.165 -7.928 1.500 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.467 -5.357 -0.083 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.259 -5.710 1.137 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.462 -6.979 -1.583 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.329 -5.729 -2.013 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.668 -4.620 -1.634 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.450 -5.000 -0.394 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.201 -7.897 -1.034 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.324 -7.182 0.591 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.437 -8.483 0.104 1.00 1.00 H new ATOM 693 N ARG A 768 -4.490 -6.504 3.124 1.00 1.00 N ATOM 694 CA ARG A 768 -5.269 -5.781 4.115 1.00 1.00 C ATOM 695 C ARG A 768 -4.720 -4.366 4.085 1.00 1.00 C ATOM 696 O ARG A 768 -3.590 -4.150 4.523 1.00 1.00 O ATOM 697 CB ARG A 768 -5.034 -6.457 5.472 1.00 1.00 C ATOM 698 CG ARG A 768 -5.797 -5.837 6.646 1.00 1.00 C ATOM 699 CD ARG A 768 -5.348 -6.577 7.918 1.00 1.00 C ATOM 700 NE ARG A 768 -6.079 -6.153 9.120 1.00 1.00 N ATOM 701 CZ ARG A 768 -5.742 -6.417 10.389 1.00 1.00 C ATOM 702 NH1 ARG A 768 -4.556 -6.931 10.709 1.00 1.00 N ATOM 703 NH2 ARG A 768 -6.608 -6.155 11.354 1.00 1.00 N ATOM 0 H ARG A 768 -3.703 -7.015 3.524 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.343 -5.775 3.928 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.314 -7.507 5.391 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.968 -6.428 5.696 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.583 -4.771 6.725 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.873 -5.936 6.502 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.486 -7.649 7.775 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -4.282 -6.410 8.071 1.00 1.00 H new ATOM 0 HE ARG A 768 -6.926 -5.604 8.974 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -3.874 -7.135 9.978 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -4.329 -7.121 11.685 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -7.519 -5.757 11.127 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -6.364 -6.351 12.325 1.00 1.00 H new ATOM 717 N HIS A 769 -5.480 -3.421 3.555 1.00 1.00 N ATOM 718 CA HIS A 769 -5.048 -2.037 3.375 1.00 1.00 C ATOM 719 C HIS A 769 -5.689 -1.220 4.484 1.00 1.00 C ATOM 720 O HIS A 769 -6.861 -1.438 4.807 1.00 1.00 O ATOM 721 CB HIS A 769 -5.483 -1.506 1.999 1.00 1.00 C ATOM 722 CG HIS A 769 -6.907 -1.811 1.605 1.00 1.00 C ATOM 723 ND1 HIS A 769 -8.036 -1.099 1.948 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.305 -2.900 0.880 1.00 1.00 C ATOM 725 CE1 HIS A 769 -9.092 -1.750 1.426 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.696 -2.866 0.793 1.00 1.00 N ATOM 0 H HIS A 769 -6.432 -3.593 3.231 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.961 -1.967 3.420 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.345 -0.425 1.986 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.818 -1.922 1.242 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -8.066 -0.239 2.495 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.658 -3.651 0.452 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -10.117 -1.420 1.505 1.00 1.00 H new ATOM 734 N ASP A 770 -4.941 -0.293 5.068 1.00 1.00 N ATOM 735 CA ASP A 770 -5.410 0.482 6.214 1.00 1.00 C ATOM 736 C ASP A 770 -4.576 1.747 6.405 1.00 1.00 C ATOM 737 O ASP A 770 -3.621 1.968 5.664 1.00 1.00 O ATOM 738 CB ASP A 770 -5.288 -0.422 7.459 1.00 1.00 C ATOM 739 CG ASP A 770 -6.268 -0.111 8.587 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.857 0.995 8.629 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.503 -1.030 9.404 1.00 1.00 O ATOM 0 H ASP A 770 -3.996 -0.056 4.764 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.441 0.796 6.054 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.430 -1.458 7.151 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.273 -0.342 7.849 1.00 1.00 H new ATOM 746 N SER A 771 -4.939 2.595 7.367 1.00 1.00 N ATOM 747 CA SER A 771 -4.173 3.780 7.735 1.00 1.00 C ATOM 748 C SER A 771 -3.544 3.524 9.108 1.00 1.00 C ATOM 749 O SER A 771 -4.100 2.783 9.920 1.00 1.00 O ATOM 750 CB SER A 771 -5.062 5.026 7.750 1.00 1.00 C ATOM 751 OG SER A 771 -5.902 5.074 6.605 1.00 1.00 O ATOM 0 H SER A 771 -5.788 2.474 7.920 1.00 1.00 H new ATOM 0 HA SER A 771 -3.391 3.966 6.999 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.673 5.029 8.653 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.439 5.920 7.784 1.00 1.00 H new ATOM 0 HG SER A 771 -6.460 5.879 6.642 1.00 1.00 H new ATOM 757 N SER A 772 -2.415 4.163 9.384 1.00 1.00 N ATOM 758 CA SER A 772 -1.595 3.984 10.580 1.00 1.00 C ATOM 759 C SER A 772 -0.949 5.316 10.973 1.00 1.00 C ATOM 760 O SER A 772 -1.022 6.270 10.199 1.00 1.00 O ATOM 761 CB SER A 772 -0.540 2.923 10.274 1.00 1.00 C ATOM 762 OG SER A 772 -1.131 1.654 10.056 1.00 1.00 O ATOM 0 H SER A 772 -2.024 4.857 8.747 1.00 1.00 H new ATOM 0 HA SER A 772 -2.204 3.655 11.422 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.029 3.217 9.392 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.166 2.860 11.102 1.00 1.00 H new ATOM 0 HG SER A 772 -0.719 1.232 9.273 1.00 1.00 H new ATOM 768 N GLY A 773 -0.387 5.418 12.179 1.00 1.00 N ATOM 769 CA GLY A 773 0.348 6.583 12.673 1.00 1.00 C ATOM 770 C GLY A 773 -0.103 6.950 14.079 1.00 1.00 C ATOM 771 O GLY A 773 -1.025 6.322 14.614 1.00 1.00 O ATOM 0 H GLY A 773 -0.433 4.663 12.863 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.417 6.371 12.673 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.191 7.429 12.003 1.00 1.00 H new ATOM 775 N GLU A 774 0.570 7.901 14.735 1.00 1.00 N ATOM 776 CA GLU A 774 0.117 8.374 16.041 1.00 1.00 C ATOM 777 C GLU A 774 -0.041 9.898 16.108 1.00 1.00 C ATOM 778 O GLU A 774 -1.170 10.395 16.127 1.00 1.00 O ATOM 779 CB GLU A 774 1.023 7.762 17.114 1.00 1.00 C ATOM 780 CG GLU A 774 0.346 7.758 18.488 1.00 1.00 C ATOM 781 CD GLU A 774 0.775 6.533 19.293 1.00 1.00 C ATOM 782 OE1 GLU A 774 0.501 5.390 18.857 1.00 1.00 O ATOM 783 OE2 GLU A 774 1.345 6.703 20.391 1.00 1.00 O ATOM 0 H GLU A 774 1.417 8.351 14.387 1.00 1.00 H new ATOM 0 HA GLU A 774 -0.899 8.030 16.232 1.00 1.00 H new ATOM 0 HB2 GLU A 774 1.283 6.741 16.833 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.955 8.325 17.168 1.00 1.00 H new ATOM 0 HG2 GLU A 774 0.607 8.667 19.031 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -0.737 7.759 18.366 1.00 1.00 H new ATOM 790 N GLY A 775 1.056 10.658 16.019 1.00 1.00 N ATOM 791 CA GLY A 775 1.060 12.110 16.174 1.00 1.00 C ATOM 792 C GLY A 775 0.862 12.810 14.837 1.00 1.00 C ATOM 793 O GLY A 775 -0.273 12.974 14.382 1.00 1.00 O ATOM 0 H GLY A 775 1.981 10.270 15.834 1.00 1.00 H new ATOM 0 HA2 GLY A 775 0.269 12.406 16.863 1.00 1.00 H new ATOM 0 HA3 GLY A 775 2.004 12.428 16.617 1.00 1.00 H new ATOM 797 N LYS A 776 1.953 13.199 14.177 1.00 1.00 N ATOM 798 CA LYS A 776 1.977 13.916 12.897 1.00 1.00 C ATOM 799 C LYS A 776 2.707 13.076 11.852 1.00 1.00 C ATOM 800 O LYS A 776 3.440 13.610 11.014 1.00 1.00 O ATOM 801 CB LYS A 776 2.610 15.306 13.096 1.00 1.00 C ATOM 802 CG LYS A 776 1.694 16.218 13.919 1.00 1.00 C ATOM 803 CD LYS A 776 2.367 17.565 14.206 1.00 1.00 C ATOM 804 CE LYS A 776 1.403 18.526 14.907 1.00 1.00 C ATOM 805 NZ LYS A 776 0.894 17.983 16.182 1.00 1.00 N ATOM 0 H LYS A 776 2.890 13.015 14.536 1.00 1.00 H new ATOM 0 HA LYS A 776 0.963 14.074 12.529 1.00 1.00 H new ATOM 0 HB2 LYS A 776 3.572 15.202 13.599 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.805 15.762 12.125 1.00 1.00 H new ATOM 0 HG2 LYS A 776 0.761 16.382 13.381 1.00 1.00 H new ATOM 0 HG3 LYS A 776 1.438 15.729 14.859 1.00 1.00 H new ATOM 0 HD2 LYS A 776 3.247 17.409 14.830 1.00 1.00 H new ATOM 0 HD3 LYS A 776 2.712 18.009 13.272 1.00 1.00 H new ATOM 0 HE2 LYS A 776 1.910 19.472 15.095 1.00 1.00 H new ATOM 0 HE3 LYS A 776 0.563 18.741 14.246 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 0.370 18.724 16.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 0.260 17.181 15.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 1.692 17.661 16.765 1.00 1.00 H new ATOM 818 N ARG A 777 2.577 11.752 11.935 1.00 1.00 N ATOM 819 CA ARG A 777 3.174 10.803 11.015 1.00 1.00 C ATOM 820 C ARG A 777 2.130 9.762 10.660 1.00 1.00 C ATOM 821 O ARG A 777 2.287 8.589 10.992 1.00 1.00 O ATOM 822 CB ARG A 777 4.465 10.205 11.586 1.00 1.00 C ATOM 823 CG ARG A 777 5.504 11.298 11.842 1.00 1.00 C ATOM 824 CD ARG A 777 6.906 10.734 12.038 1.00 1.00 C ATOM 825 NE ARG A 777 7.851 11.804 12.384 1.00 1.00 N ATOM 826 CZ ARG A 777 9.178 11.686 12.389 1.00 1.00 C ATOM 827 NH1 ARG A 777 9.754 10.540 12.051 1.00 1.00 N ATOM 828 NH2 ARG A 777 9.934 12.716 12.739 1.00 1.00 N ATOM 0 H ARG A 777 2.034 11.303 12.672 1.00 1.00 H new ATOM 0 HA ARG A 777 3.480 11.305 10.097 1.00 1.00 H new ATOM 0 HB2 ARG A 777 4.247 9.679 12.516 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.869 9.469 10.891 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.509 11.994 11.003 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.218 11.867 12.726 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.894 9.983 12.828 1.00 1.00 H new ATOM 0 HD3 ARG A 777 7.233 10.234 11.127 1.00 1.00 H new ATOM 0 HE ARG A 777 7.460 12.710 12.641 1.00 1.00 H new ATOM 0 HH11 ARG A 777 9.180 9.740 11.784 1.00 1.00 H new ATOM 0 HH12 ARG A 777 10.771 10.459 12.058 1.00 1.00 H new ATOM 0 HH21 ARG A 777 9.500 13.600 13.005 1.00 1.00 H new ATOM 0 HH22 ARG A 777 10.950 12.625 12.743 1.00 1.00 H new ATOM 842 N ARG A 778 1.023 10.191 10.050 1.00 1.00 N ATOM 843 CA ARG A 778 0.022 9.250 9.560 1.00 1.00 C ATOM 844 C ARG A 778 0.634 8.586 8.329 1.00 1.00 C ATOM 845 O ARG A 778 1.580 9.126 7.749 1.00 1.00 O ATOM 846 CB ARG A 778 -1.306 9.962 9.242 1.00 1.00 C ATOM 847 CG ARG A 778 -2.484 8.974 9.195 1.00 1.00 C ATOM 848 CD ARG A 778 -3.815 9.677 8.909 1.00 1.00 C ATOM 849 NE ARG A 778 -4.957 8.770 9.128 1.00 1.00 N ATOM 850 CZ ARG A 778 -6.104 8.724 8.440 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.295 9.466 7.352 1.00 1.00 N ATOM 852 NH2 ARG A 778 -7.084 7.918 8.819 1.00 1.00 N ATOM 0 H ARG A 778 0.801 11.173 9.886 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.228 8.502 10.313 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.500 10.724 9.997 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.223 10.476 8.284 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.298 8.225 8.426 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.551 8.445 10.146 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.913 10.551 9.553 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -3.825 10.037 7.880 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.862 8.101 9.892 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -5.557 10.089 7.024 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -7.179 9.412 6.846 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -6.968 7.326 9.641 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.955 7.889 8.289 1.00 1.00 H new ATOM 866 N PHE A 779 0.187 7.403 7.944 1.00 1.00 N ATOM 867 CA PHE A 779 0.607 6.727 6.727 1.00 1.00 C ATOM 868 C PHE A 779 -0.466 5.733 6.302 1.00 1.00 C ATOM 869 O PHE A 779 -1.491 5.573 6.970 1.00 1.00 O ATOM 870 CB PHE A 779 1.997 6.089 6.887 1.00 1.00 C ATOM 871 CG PHE A 779 2.224 5.211 8.094 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.578 5.802 9.317 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.168 3.812 7.987 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.836 5.009 10.442 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.443 3.017 9.113 1.00 1.00 C ATOM 876 CZ PHE A 779 2.764 3.612 10.345 1.00 1.00 C ATOM 0 H PHE A 779 -0.496 6.871 8.483 1.00 1.00 H new ATOM 0 HA PHE A 779 0.715 7.457 5.925 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.200 5.495 5.996 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.735 6.891 6.910 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.652 6.877 9.391 1.00 1.00 H new ATOM 0 HD2 PHE A 779 1.915 3.349 7.044 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.090 5.473 11.384 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.407 1.941 9.031 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.954 2.997 11.212 1.00 1.00 H new ATOM 886 N ILE A 780 -0.219 5.096 5.165 1.00 1.00 N ATOM 887 CA ILE A 780 -0.982 4.024 4.557 1.00 1.00 C ATOM 888 C ILE A 780 -0.179 2.750 4.722 1.00 1.00 C ATOM 889 O ILE A 780 1.019 2.719 4.459 1.00 1.00 O ATOM 890 CB ILE A 780 -1.415 4.396 3.121 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.968 3.225 2.273 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.436 5.260 2.347 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.465 3.054 2.373 1.00 1.00 C ATOM 0 H ILE A 780 0.593 5.341 4.598 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.938 3.852 5.051 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.272 5.042 3.315 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.699 3.386 1.229 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.484 2.300 2.588 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.836 5.462 1.353 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.284 6.201 2.876 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.516 4.738 2.255 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.778 2.215 1.752 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.741 2.861 3.410 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.959 3.963 2.030 1.00 1.00 H new ATOM 905 N THR A 781 -0.849 1.705 5.166 1.00 1.00 N ATOM 906 CA THR A 781 -0.263 0.424 5.468 1.00 1.00 C ATOM 907 C THR A 781 -0.997 -0.604 4.635 1.00 1.00 C ATOM 908 O THR A 781 -2.213 -0.518 4.447 1.00 1.00 O ATOM 909 CB THR A 781 -0.461 0.147 6.964 1.00 1.00 C ATOM 910 OG1 THR A 781 0.220 1.130 7.707 1.00 1.00 O ATOM 911 CG2 THR A 781 0.041 -1.241 7.366 1.00 1.00 C ATOM 0 H THR A 781 -1.855 1.731 5.331 1.00 1.00 H new ATOM 0 HA THR A 781 0.803 0.393 5.244 1.00 1.00 H new ATOM 0 HB THR A 781 -1.530 0.179 7.174 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.187 1.012 7.597 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.120 -1.391 8.433 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.504 -2.001 6.806 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.105 -1.321 7.145 1.00 1.00 H new ATOM 919 N VAL A 782 -0.270 -1.584 4.129 1.00 1.00 N ATOM 920 CA VAL A 782 -0.851 -2.699 3.417 1.00 1.00 C ATOM 921 C VAL A 782 -0.109 -3.929 3.920 1.00 1.00 C ATOM 922 O VAL A 782 1.118 -3.910 4.042 1.00 1.00 O ATOM 923 CB VAL A 782 -0.794 -2.533 1.890 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.889 -1.610 1.365 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.512 -1.951 1.373 1.00 1.00 C ATOM 0 H VAL A 782 0.746 -1.625 4.203 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.920 -2.782 3.613 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.915 -3.555 1.531 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.805 -1.526 0.281 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.865 -2.020 1.623 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.780 -0.623 1.815 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.468 -1.867 0.287 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.667 -0.963 1.807 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.338 -2.605 1.654 1.00 1.00 H new ATOM 935 N SER A 783 -0.847 -4.990 4.221 1.00 1.00 N ATOM 936 CA SER A 783 -0.291 -6.225 4.757 1.00 1.00 C ATOM 937 C SER A 783 -0.700 -7.375 3.851 1.00 1.00 C ATOM 938 O SER A 783 -1.785 -7.361 3.275 1.00 1.00 O ATOM 939 CB SER A 783 -0.686 -6.429 6.220 1.00 1.00 C ATOM 940 OG SER A 783 -0.530 -5.225 6.960 1.00 1.00 O ATOM 0 H SER A 783 -1.859 -5.017 4.098 1.00 1.00 H new ATOM 0 HA SER A 783 0.798 -6.175 4.766 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.721 -6.765 6.278 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.071 -7.214 6.661 1.00 1.00 H new ATOM 0 HG SER A 783 -0.790 -5.378 7.892 1.00 1.00 H new ATOM 946 N LYS A 784 0.190 -8.342 3.677 1.00 1.00 N ATOM 947 CA LYS A 784 0.050 -9.473 2.772 1.00 1.00 C ATOM 948 C LYS A 784 -0.722 -10.635 3.324 1.00 1.00 C ATOM 949 O LYS A 784 -0.404 -11.100 4.417 1.00 1.00 O ATOM 950 CB LYS A 784 1.437 -9.992 2.358 1.00 1.00 C ATOM 951 CG LYS A 784 2.044 -9.172 1.218 1.00 1.00 C ATOM 952 CD LYS A 784 1.848 -9.803 -0.176 1.00 1.00 C ATOM 953 CE LYS A 784 0.575 -10.642 -0.411 1.00 1.00 C ATOM 954 NZ LYS A 784 0.794 -12.080 -0.148 1.00 1.00 N ATOM 0 H LYS A 784 1.072 -8.359 4.188 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.517 -9.081 1.928 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.105 -9.965 3.219 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.356 -11.035 2.050 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.599 -8.177 1.222 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.111 -9.045 1.402 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.861 -9.000 -0.913 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.710 -10.437 -0.381 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.224 -10.275 0.233 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.240 -10.510 -1.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.030 -12.471 0.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.922 -12.582 -1.050 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.644 -12.200 0.439 1.00 1.00 H new ATOM 967 N ARG A 785 -1.736 -11.098 2.586 1.00 1.00 N ATOM 968 CA ARG A 785 -2.414 -12.304 3.022 1.00 1.00 C ATOM 969 C ARG A 785 -1.415 -13.376 2.603 1.00 1.00 C ATOM 970 O ARG A 785 -1.169 -13.546 1.401 1.00 1.00 O ATOM 971 CB ARG A 785 -3.772 -12.481 2.331 1.00 1.00 C ATOM 972 CG ARG A 785 -4.784 -11.490 2.915 1.00 1.00 C ATOM 973 CD ARG A 785 -6.134 -11.562 2.199 1.00 1.00 C ATOM 974 NE ARG A 785 -7.132 -10.755 2.909 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.713 -11.065 4.071 1.00 1.00 C ATOM 976 NH1 ARG A 785 -7.605 -12.292 4.576 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.387 -10.119 4.711 1.00 1.00 N ATOM 0 H ARG A 785 -2.086 -10.675 1.727 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.660 -12.317 4.084 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.668 -12.319 1.258 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -4.129 -13.502 2.466 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.925 -11.698 3.976 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.386 -10.478 2.838 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.029 -11.204 1.175 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.468 -12.598 2.142 1.00 1.00 H new ATOM 0 HE ARG A 785 -7.408 -9.874 2.475 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -7.075 -13.005 4.075 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -8.052 -12.519 5.464 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.452 -9.182 4.314 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -8.840 -10.329 5.600 1.00 1.00 H new ATOM 991 N ALA A 786 -0.820 -14.048 3.576 1.00 1.00 N ATOM 992 CA ALA A 786 0.088 -15.170 3.439 1.00 1.00 C ATOM 993 C ALA A 786 -0.624 -16.364 4.042 1.00 1.00 C ATOM 994 O ALA A 786 -1.537 -16.164 4.874 1.00 1.00 O ATOM 995 CB ALA A 786 1.403 -14.862 4.165 1.00 1.00 C ATOM 0 H ALA A 786 -0.972 -13.803 4.554 1.00 1.00 H new ATOM 0 HA ALA A 786 0.345 -15.371 2.399 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.083 -15.707 4.060 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.859 -13.973 3.730 1.00 1.00 H new ATOM 0 HB3 ALA A 786 1.203 -14.687 5.222 1.00 1.00 H new