USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 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 772 SER OG : rot 150:sc= 0.633 USER MOD Set 1.2: A 781 THR OG1 : rot 2:sc= 0.741 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -1.18 X(o=-1.4,f=-1.6) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -0.215 K(o=-1.4,f=-3.7) USER MOD Set 3.1: A 737 MET CE :methyl -165:sc= -0.293 (180deg=-0.615) USER MOD Set 3.2: A 765 HIS : no HD1:sc= -0.384 X(o=-0.68,f=-0.57) USER MOD Single : A 728 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.25) USER MOD Single : A 732 MET CE :methyl -176:sc= -0.832 (180deg=-0.924) USER MOD Single : A 739 SER OG : rot 150: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 170:sc= -0.911 (180deg=-1.09) USER MOD Single : A 743 GLN : amide:sc= -0.141 K(o=-0.14,f=-4.5!) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=-0.00084) USER MOD Single : A 760 GLN : amide:sc= 0.207 K(o=0.21,f=-3.9!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 172:sc=-0.000604 (180deg=-0.0718) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 173:sc= 1.48 (180deg=1.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.625 7.541 -12.841 1.00 1.00 N ATOM 2 CA GLY A 725 -2.261 6.546 -11.830 1.00 1.00 C ATOM 3 C GLY A 725 -0.759 6.323 -11.799 1.00 1.00 C ATOM 4 O GLY A 725 -0.109 6.164 -12.837 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.603 6.877 -10.849 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.767 5.605 -12.043 1.00 1.00 H new ATOM 8 N VAL A 726 -0.190 6.303 -10.594 1.00 1.00 N ATOM 9 CA VAL A 726 1.242 6.169 -10.381 1.00 1.00 C ATOM 10 C VAL A 726 1.619 4.682 -10.431 1.00 1.00 C ATOM 11 O VAL A 726 1.654 3.997 -9.408 1.00 1.00 O ATOM 12 CB VAL A 726 1.662 6.894 -9.100 1.00 1.00 C ATOM 13 CG1 VAL A 726 3.192 6.942 -8.975 1.00 1.00 C ATOM 14 CG2 VAL A 726 1.109 8.325 -9.024 1.00 1.00 C ATOM 0 H VAL A 726 -0.723 6.381 -9.728 1.00 1.00 H new ATOM 0 HA VAL A 726 1.805 6.657 -11.177 1.00 1.00 H new ATOM 0 HB VAL A 726 1.239 6.322 -8.274 1.00 1.00 H new ATOM 0 HG11 VAL A 726 3.466 7.462 -8.057 1.00 1.00 H new ATOM 0 HG12 VAL A 726 3.587 5.926 -8.948 1.00 1.00 H new ATOM 0 HG13 VAL A 726 3.611 7.472 -9.831 1.00 1.00 H new ATOM 0 HG21 VAL A 726 1.437 8.793 -8.096 1.00 1.00 H new ATOM 0 HG22 VAL A 726 1.477 8.903 -9.872 1.00 1.00 H new ATOM 0 HG23 VAL A 726 0.020 8.296 -9.050 1.00 1.00 H new ATOM 24 N ASP A 727 1.913 4.185 -11.633 1.00 1.00 N ATOM 25 CA ASP A 727 2.320 2.802 -11.916 1.00 1.00 C ATOM 26 C ASP A 727 3.508 2.335 -11.057 1.00 1.00 C ATOM 27 O ASP A 727 3.626 1.147 -10.752 1.00 1.00 O ATOM 28 CB ASP A 727 2.663 2.693 -13.408 1.00 1.00 C ATOM 29 CG ASP A 727 3.302 1.352 -13.759 1.00 1.00 C ATOM 30 OD1 ASP A 727 2.581 0.333 -13.868 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.548 1.306 -13.856 1.00 1.00 O ATOM 0 H ASP A 727 1.873 4.758 -12.476 1.00 1.00 H new ATOM 0 HA ASP A 727 1.488 2.146 -11.660 1.00 1.00 H new ATOM 0 HB2 ASP A 727 1.756 2.826 -13.998 1.00 1.00 H new ATOM 0 HB3 ASP A 727 3.343 3.500 -13.682 1.00 1.00 H new ATOM 36 N HIS A 728 4.354 3.265 -10.606 1.00 1.00 N ATOM 37 CA HIS A 728 5.509 2.996 -9.751 1.00 1.00 C ATOM 38 C HIS A 728 5.068 2.307 -8.453 1.00 1.00 C ATOM 39 O HIS A 728 5.700 1.344 -8.010 1.00 1.00 O ATOM 40 CB HIS A 728 6.265 4.309 -9.473 1.00 1.00 C ATOM 41 CG HIS A 728 6.461 5.189 -10.690 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.463 6.568 -10.714 1.00 1.00 N ATOM 43 CD2 HIS A 728 6.622 4.761 -11.981 1.00 1.00 C ATOM 44 CE1 HIS A 728 6.638 6.958 -11.987 1.00 1.00 C ATOM 45 NE2 HIS A 728 6.705 5.889 -12.803 1.00 1.00 N ATOM 0 H HIS A 728 4.250 4.254 -10.833 1.00 1.00 H new ATOM 0 HA HIS A 728 6.189 2.315 -10.263 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.721 4.874 -8.716 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.242 4.069 -9.052 1.00 1.00 H new ATOM 0 HD2 HIS A 728 6.675 3.733 -12.307 1.00 1.00 H new ATOM 0 HE1 HIS A 728 6.714 7.985 -12.311 1.00 1.00 H new ATOM 0 HE2 HIS A 728 6.798 5.900 -13.819 1.00 1.00 H new ATOM 53 N PHE A 729 3.949 2.755 -7.867 1.00 1.00 N ATOM 54 CA PHE A 729 3.405 2.084 -6.698 1.00 1.00 C ATOM 55 C PHE A 729 3.045 0.659 -7.038 1.00 1.00 C ATOM 56 O PHE A 729 3.398 -0.218 -6.259 1.00 1.00 O ATOM 57 CB PHE A 729 2.203 2.800 -6.080 1.00 1.00 C ATOM 58 CG PHE A 729 2.602 3.947 -5.184 1.00 1.00 C ATOM 59 CD1 PHE A 729 2.879 3.709 -3.824 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.711 5.244 -5.706 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.240 4.775 -2.984 1.00 1.00 C ATOM 62 CE2 PHE A 729 3.071 6.309 -4.870 1.00 1.00 C ATOM 63 CZ PHE A 729 3.325 6.075 -3.510 1.00 1.00 C ATOM 0 H PHE A 729 3.417 3.566 -8.183 1.00 1.00 H new ATOM 0 HA PHE A 729 4.190 2.102 -5.942 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.560 3.174 -6.877 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.615 2.084 -5.506 1.00 1.00 H new ATOM 0 HD1 PHE A 729 2.814 2.707 -3.427 1.00 1.00 H new ATOM 0 HD2 PHE A 729 2.517 5.422 -6.753 1.00 1.00 H new ATOM 0 HE1 PHE A 729 3.451 4.597 -1.940 1.00 1.00 H new ATOM 0 HE2 PHE A 729 3.153 7.308 -5.272 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.587 6.899 -2.864 1.00 1.00 H new ATOM 73 N ARG A 730 2.382 0.400 -8.173 1.00 1.00 N ATOM 74 CA ARG A 730 2.038 -0.976 -8.497 1.00 1.00 C ATOM 75 C ARG A 730 3.295 -1.830 -8.581 1.00 1.00 C ATOM 76 O ARG A 730 3.266 -2.916 -8.029 1.00 1.00 O ATOM 77 CB ARG A 730 1.129 -1.110 -9.734 1.00 1.00 C ATOM 78 CG ARG A 730 0.501 -2.522 -9.751 1.00 1.00 C ATOM 79 CD ARG A 730 -0.948 -2.575 -10.252 1.00 1.00 C ATOM 80 NE ARG A 730 -1.066 -2.781 -11.707 1.00 1.00 N ATOM 81 CZ ARG A 730 -1.828 -3.713 -12.303 1.00 1.00 C ATOM 82 NH1 ARG A 730 -2.314 -4.743 -11.616 1.00 1.00 N ATOM 83 NH2 ARG A 730 -2.103 -3.607 -13.595 1.00 1.00 N ATOM 0 H ARG A 730 2.086 1.100 -8.854 1.00 1.00 H new ATOM 0 HA ARG A 730 1.429 -1.360 -7.678 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.347 -0.351 -9.710 1.00 1.00 H new ATOM 0 HB3 ARG A 730 1.706 -0.944 -10.644 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.112 -3.169 -10.380 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.537 -2.933 -8.742 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -1.472 -3.380 -9.737 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -1.450 -1.645 -9.984 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.524 -2.164 -12.312 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -2.110 -4.834 -10.621 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -2.891 -5.442 -12.084 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -1.737 -2.821 -14.132 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -2.681 -4.312 -14.053 1.00 1.00 H new ATOM 97 N ALA A 731 4.403 -1.344 -9.145 1.00 1.00 N ATOM 98 CA ALA A 731 5.638 -2.121 -9.176 1.00 1.00 C ATOM 99 C ALA A 731 6.116 -2.451 -7.764 1.00 1.00 C ATOM 100 O ALA A 731 6.443 -3.606 -7.492 1.00 1.00 O ATOM 101 CB ALA A 731 6.725 -1.386 -9.959 1.00 1.00 C ATOM 0 H ALA A 731 4.468 -0.425 -9.582 1.00 1.00 H new ATOM 0 HA ALA A 731 5.428 -3.061 -9.687 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.635 -1.985 -9.968 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.388 -1.222 -10.983 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.928 -0.425 -9.486 1.00 1.00 H new ATOM 107 N MET A 732 6.105 -1.472 -6.854 1.00 1.00 N ATOM 108 CA MET A 732 6.446 -1.737 -5.461 1.00 1.00 C ATOM 109 C MET A 732 5.519 -2.798 -4.854 1.00 1.00 C ATOM 110 O MET A 732 5.983 -3.721 -4.184 1.00 1.00 O ATOM 111 CB MET A 732 6.386 -0.444 -4.650 1.00 1.00 C ATOM 112 CG MET A 732 7.549 0.499 -4.975 1.00 1.00 C ATOM 113 SD MET A 732 7.669 1.966 -3.916 1.00 1.00 S ATOM 114 CE MET A 732 6.195 2.892 -4.402 1.00 1.00 C ATOM 0 H MET A 732 5.866 -0.501 -7.057 1.00 1.00 H new ATOM 0 HA MET A 732 7.463 -2.127 -5.428 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.442 0.064 -4.849 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.401 -0.683 -3.587 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.482 -0.061 -4.901 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.454 0.825 -6.011 1.00 1.00 H new ATOM 0 HE1 MET A 732 6.179 3.850 -3.882 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.212 3.064 -5.478 1.00 1.00 H new ATOM 0 HE3 MET A 732 5.304 2.322 -4.139 1.00 1.00 H new ATOM 124 N ILE A 733 4.207 -2.684 -5.079 1.00 1.00 N ATOM 125 CA ILE A 733 3.259 -3.678 -4.585 1.00 1.00 C ATOM 126 C ILE A 733 3.511 -5.043 -5.235 1.00 1.00 C ATOM 127 O ILE A 733 3.375 -6.055 -4.562 1.00 1.00 O ATOM 128 CB ILE A 733 1.772 -3.231 -4.664 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.555 -1.775 -4.193 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.938 -4.170 -3.782 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.239 -1.379 -3.515 1.00 1.00 C ATOM 0 H ILE A 733 3.782 -1.916 -5.598 1.00 1.00 H new ATOM 0 HA ILE A 733 3.446 -3.780 -3.516 1.00 1.00 H new ATOM 0 HB ILE A 733 1.466 -3.279 -5.709 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.362 -1.534 -3.501 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.678 -1.131 -5.063 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.110 -3.873 -3.824 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.040 -5.194 -4.143 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.291 -4.111 -2.752 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.268 -0.321 -3.254 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.591 -1.562 -4.197 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.103 -1.972 -2.611 1.00 1.00 H new ATOM 143 N VAL A 734 3.894 -5.121 -6.504 1.00 1.00 N ATOM 144 CA VAL A 734 4.181 -6.383 -7.183 1.00 1.00 C ATOM 145 C VAL A 734 5.415 -7.051 -6.569 1.00 1.00 C ATOM 146 O VAL A 734 5.428 -8.277 -6.426 1.00 1.00 O ATOM 147 CB VAL A 734 4.258 -6.157 -8.704 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.787 -7.358 -9.492 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.834 -5.908 -9.210 1.00 1.00 C ATOM 0 H VAL A 734 4.016 -4.301 -7.099 1.00 1.00 H new ATOM 0 HA VAL A 734 3.367 -7.092 -7.032 1.00 1.00 H new ATOM 0 HB VAL A 734 4.945 -5.325 -8.859 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.809 -7.115 -10.554 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.795 -7.600 -9.154 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.134 -8.216 -9.330 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.854 -5.744 -10.287 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.212 -6.775 -8.987 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.421 -5.028 -8.717 1.00 1.00 H new ATOM 159 N GLU A 735 6.419 -6.282 -6.156 1.00 1.00 N ATOM 160 CA GLU A 735 7.577 -6.823 -5.460 1.00 1.00 C ATOM 161 C GLU A 735 7.123 -7.393 -4.108 1.00 1.00 C ATOM 162 O GLU A 735 7.459 -8.521 -3.743 1.00 1.00 O ATOM 163 CB GLU A 735 8.603 -5.698 -5.311 1.00 1.00 C ATOM 164 CG GLU A 735 9.927 -6.174 -4.715 1.00 1.00 C ATOM 165 CD GLU A 735 10.896 -5.000 -4.634 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.284 -4.473 -5.705 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.237 -4.558 -3.512 1.00 1.00 O ATOM 0 H GLU A 735 6.451 -5.272 -6.295 1.00 1.00 H new ATOM 0 HA GLU A 735 8.043 -7.638 -6.013 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.790 -5.252 -6.288 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.186 -4.915 -4.678 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.762 -6.593 -3.722 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.351 -6.968 -5.330 1.00 1.00 H new ATOM 174 N PHE A 736 6.298 -6.636 -3.381 1.00 1.00 N ATOM 175 CA PHE A 736 5.727 -7.044 -2.105 1.00 1.00 C ATOM 176 C PHE A 736 4.845 -8.294 -2.246 1.00 1.00 C ATOM 177 O PHE A 736 4.893 -9.171 -1.385 1.00 1.00 O ATOM 178 CB PHE A 736 4.958 -5.848 -1.531 1.00 1.00 C ATOM 179 CG PHE A 736 4.304 -6.047 -0.178 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.018 -6.607 0.900 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.974 -5.621 0.010 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.388 -6.774 2.145 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.351 -5.773 1.258 1.00 1.00 C ATOM 184 CZ PHE A 736 3.053 -6.372 2.315 1.00 1.00 C ATOM 0 H PHE A 736 6.005 -5.704 -3.673 1.00 1.00 H new ATOM 0 HA PHE A 736 6.521 -7.330 -1.415 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.645 -5.005 -1.456 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.184 -5.566 -2.245 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.047 -6.907 0.770 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.431 -5.175 -0.811 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.930 -7.211 2.971 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.337 -5.431 1.404 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.564 -6.525 3.266 1.00 1.00 H new ATOM 194 N MET A 737 4.070 -8.401 -3.328 1.00 1.00 N ATOM 195 CA MET A 737 3.234 -9.545 -3.687 1.00 1.00 C ATOM 196 C MET A 737 4.087 -10.783 -3.906 1.00 1.00 C ATOM 197 O MET A 737 3.760 -11.844 -3.368 1.00 1.00 O ATOM 198 CB MET A 737 2.438 -9.247 -4.968 1.00 1.00 C ATOM 199 CG MET A 737 1.223 -8.342 -4.738 1.00 1.00 C ATOM 200 SD MET A 737 -0.174 -9.125 -3.908 1.00 1.00 S ATOM 201 CE MET A 737 -0.633 -10.354 -5.162 1.00 1.00 C ATOM 0 H MET A 737 4.007 -7.649 -4.014 1.00 1.00 H new ATOM 0 HA MET A 737 2.542 -9.727 -2.865 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.099 -8.776 -5.695 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.103 -10.188 -5.405 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.538 -7.481 -4.149 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.885 -7.962 -5.702 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.627 -10.744 -4.942 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.637 -9.886 -6.146 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.088 -11.171 -5.152 1.00 1.00 H new ATOM 211 N ALA A 738 5.158 -10.648 -4.692 1.00 1.00 N ATOM 212 CA ALA A 738 6.073 -11.728 -5.005 1.00 1.00 C ATOM 213 C ALA A 738 6.689 -12.239 -3.709 1.00 1.00 C ATOM 214 O ALA A 738 6.550 -13.417 -3.367 1.00 1.00 O ATOM 215 CB ALA A 738 7.156 -11.232 -5.976 1.00 1.00 C ATOM 0 H ALA A 738 5.411 -9.764 -5.133 1.00 1.00 H new ATOM 0 HA ALA A 738 5.540 -12.545 -5.490 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.840 -12.049 -6.207 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.687 -10.881 -6.895 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.710 -10.414 -5.516 1.00 1.00 H new ATOM 221 N SER A 739 7.347 -11.336 -2.987 1.00 1.00 N ATOM 222 CA SER A 739 8.094 -11.634 -1.781 1.00 1.00 C ATOM 223 C SER A 739 7.191 -12.131 -0.641 1.00 1.00 C ATOM 224 O SER A 739 7.622 -12.998 0.126 1.00 1.00 O ATOM 225 CB SER A 739 8.878 -10.364 -1.418 1.00 1.00 C ATOM 226 OG SER A 739 9.900 -10.628 -0.482 1.00 1.00 O ATOM 0 H SER A 739 7.372 -10.348 -3.238 1.00 1.00 H new ATOM 0 HA SER A 739 8.784 -12.460 -1.951 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.314 -9.936 -2.321 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.195 -9.619 -1.010 1.00 1.00 H new ATOM 0 HG SER A 739 10.640 -10.001 -0.620 1.00 1.00 H new ATOM 232 N LYS A 740 5.965 -11.601 -0.510 1.00 1.00 N ATOM 233 CA LYS A 740 4.991 -11.859 0.562 1.00 1.00 C ATOM 234 C LYS A 740 5.663 -11.867 1.932 1.00 1.00 C ATOM 235 O LYS A 740 5.600 -12.854 2.659 1.00 1.00 O ATOM 236 CB LYS A 740 4.030 -13.038 0.271 1.00 1.00 C ATOM 237 CG LYS A 740 4.745 -14.384 0.071 1.00 1.00 C ATOM 238 CD LYS A 740 3.770 -15.562 0.014 1.00 1.00 C ATOM 239 CE LYS A 740 4.577 -16.860 0.103 1.00 1.00 C ATOM 240 NZ LYS A 740 3.719 -18.051 0.214 1.00 1.00 N ATOM 0 H LYS A 740 5.604 -10.937 -1.195 1.00 1.00 H new ATOM 0 HA LYS A 740 4.303 -11.014 0.589 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.323 -13.131 1.096 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.449 -12.809 -0.622 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.324 -14.351 -0.852 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.452 -14.541 0.886 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.055 -15.503 0.834 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.196 -15.535 -0.912 1.00 1.00 H new ATOM 0 HE2 LYS A 740 5.209 -16.952 -0.780 1.00 1.00 H new ATOM 0 HE3 LYS A 740 5.241 -16.813 0.966 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 4.313 -18.903 0.271 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 3.134 -17.979 1.071 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 3.103 -18.114 -0.622 1.00 1.00 H new ATOM 253 N LYS A 741 6.336 -10.766 2.272 1.00 1.00 N ATOM 254 CA LYS A 741 7.088 -10.631 3.508 1.00 1.00 C ATOM 255 C LYS A 741 6.135 -10.738 4.700 1.00 1.00 C ATOM 256 O LYS A 741 6.004 -11.825 5.253 1.00 1.00 O ATOM 257 CB LYS A 741 7.893 -9.328 3.447 1.00 1.00 C ATOM 258 CG LYS A 741 8.990 -9.412 2.378 1.00 1.00 C ATOM 259 CD LYS A 741 9.981 -8.250 2.482 1.00 1.00 C ATOM 260 CE LYS A 741 11.248 -8.589 1.691 1.00 1.00 C ATOM 261 NZ LYS A 741 12.435 -7.923 2.258 1.00 1.00 N ATOM 0 H LYS A 741 6.371 -9.934 1.683 1.00 1.00 H new ATOM 0 HA LYS A 741 7.810 -11.437 3.639 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.227 -8.494 3.225 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.342 -9.127 4.420 1.00 1.00 H new ATOM 0 HG2 LYS A 741 9.526 -10.356 2.481 1.00 1.00 H new ATOM 0 HG3 LYS A 741 8.533 -9.411 1.388 1.00 1.00 H new ATOM 0 HD2 LYS A 741 9.530 -7.337 2.093 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.230 -8.063 3.526 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.400 -9.668 1.692 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.121 -8.286 0.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 13.275 -8.174 1.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.299 -6.892 2.234 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.570 -8.232 3.242 1.00 1.00 H new ATOM 274 N MET A 742 5.443 -9.656 5.056 1.00 1.00 N ATOM 275 CA MET A 742 4.403 -9.553 6.081 1.00 1.00 C ATOM 276 C MET A 742 3.621 -8.262 5.839 1.00 1.00 C ATOM 277 O MET A 742 2.406 -8.328 5.627 1.00 1.00 O ATOM 278 CB MET A 742 4.938 -9.562 7.529 1.00 1.00 C ATOM 279 CG MET A 742 5.269 -10.934 8.133 1.00 1.00 C ATOM 280 SD MET A 742 3.863 -12.071 8.360 1.00 1.00 S ATOM 281 CE MET A 742 3.827 -13.085 6.855 1.00 1.00 C ATOM 0 H MET A 742 5.607 -8.759 4.600 1.00 1.00 H new ATOM 0 HA MET A 742 3.774 -10.439 5.989 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.839 -8.949 7.563 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.199 -9.078 8.168 1.00 1.00 H new ATOM 0 HG2 MET A 742 6.005 -11.422 7.494 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.743 -10.777 9.102 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.125 -13.908 6.988 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.512 -12.472 6.011 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.822 -13.485 6.662 1.00 1.00 H new ATOM 291 N GLN A 743 4.300 -7.108 5.856 1.00 1.00 N ATOM 292 CA GLN A 743 3.732 -5.767 5.746 1.00 1.00 C ATOM 293 C GLN A 743 4.680 -4.827 4.986 1.00 1.00 C ATOM 294 O GLN A 743 5.884 -5.083 4.896 1.00 1.00 O ATOM 295 CB GLN A 743 3.339 -5.244 7.145 1.00 1.00 C ATOM 296 CG GLN A 743 4.419 -5.283 8.248 1.00 1.00 C ATOM 297 CD GLN A 743 5.251 -4.005 8.377 1.00 1.00 C ATOM 298 OE1 GLN A 743 5.517 -3.299 7.412 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.683 -3.675 9.583 1.00 1.00 N ATOM 0 H GLN A 743 5.315 -7.089 5.952 1.00 1.00 H new ATOM 0 HA GLN A 743 2.818 -5.806 5.154 1.00 1.00 H new ATOM 0 HB2 GLN A 743 3.005 -4.212 7.037 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.482 -5.822 7.492 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.935 -5.483 9.204 1.00 1.00 H new ATOM 0 HG3 GLN A 743 5.090 -6.118 8.050 1.00 1.00 H new ATOM 0 HE21 GLN A 743 5.459 -4.265 10.384 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.240 -2.830 9.712 1.00 1.00 H new ATOM 308 N LEU A 744 4.154 -3.745 4.419 1.00 1.00 N ATOM 309 CA LEU A 744 4.892 -2.683 3.750 1.00 1.00 C ATOM 310 C LEU A 744 4.175 -1.402 4.147 1.00 1.00 C ATOM 311 O LEU A 744 2.956 -1.293 4.013 1.00 1.00 O ATOM 312 CB LEU A 744 4.932 -2.918 2.226 1.00 1.00 C ATOM 313 CG LEU A 744 5.924 -2.025 1.441 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.993 -2.477 -0.021 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.581 -0.534 1.447 1.00 1.00 C ATOM 0 H LEU A 744 3.148 -3.579 4.415 1.00 1.00 H new ATOM 0 HA LEU A 744 5.941 -2.640 4.044 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.187 -3.962 2.043 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.931 -2.759 1.825 1.00 1.00 H new ATOM 0 HG LEU A 744 6.877 -2.144 1.957 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.693 -1.843 -0.565 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.330 -3.512 -0.066 1.00 1.00 H new ATOM 0 HD13 LEU A 744 5.005 -2.398 -0.473 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.329 0.014 0.874 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.599 -0.385 0.998 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.570 -0.167 2.473 1.00 1.00 H new ATOM 327 N GLU A 745 4.909 -0.454 4.710 1.00 1.00 N ATOM 328 CA GLU A 745 4.407 0.828 5.114 1.00 1.00 C ATOM 329 C GLU A 745 4.753 1.819 4.006 1.00 1.00 C ATOM 330 O GLU A 745 5.934 2.084 3.770 1.00 1.00 O ATOM 331 CB GLU A 745 5.091 1.163 6.436 1.00 1.00 C ATOM 332 CG GLU A 745 4.615 0.215 7.550 1.00 1.00 C ATOM 333 CD GLU A 745 5.108 0.598 8.945 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.605 1.724 9.159 1.00 1.00 O ATOM 335 OE2 GLU A 745 4.934 -0.234 9.868 1.00 1.00 O ATOM 0 H GLU A 745 5.904 -0.572 4.900 1.00 1.00 H new ATOM 0 HA GLU A 745 3.327 0.854 5.263 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.172 1.084 6.322 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.874 2.195 6.712 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.525 0.194 7.554 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.952 -0.796 7.321 1.00 1.00 H new ATOM 342 N PHE A 746 3.754 2.374 3.326 1.00 1.00 N ATOM 343 CA PHE A 746 3.930 3.355 2.262 1.00 1.00 C ATOM 344 C PHE A 746 3.832 4.757 2.918 1.00 1.00 C ATOM 345 O PHE A 746 3.007 4.958 3.820 1.00 1.00 O ATOM 346 CB PHE A 746 2.902 3.116 1.134 1.00 1.00 C ATOM 347 CG PHE A 746 3.231 2.017 0.127 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.414 2.080 -0.635 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.331 0.953 -0.110 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.696 1.110 -1.608 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.611 -0.009 -1.094 1.00 1.00 C ATOM 352 CZ PHE A 746 3.788 0.072 -1.853 1.00 1.00 C ATOM 0 H PHE A 746 2.776 2.148 3.505 1.00 1.00 H new ATOM 0 HA PHE A 746 4.903 3.268 1.778 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.942 2.880 1.593 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.773 4.050 0.588 1.00 1.00 H new ATOM 0 HD1 PHE A 746 5.113 2.886 -0.468 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.422 0.879 0.469 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.617 1.164 -2.170 1.00 1.00 H new ATOM 0 HE2 PHE A 746 1.915 -0.817 -1.268 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.992 -0.660 -2.620 1.00 1.00 H new ATOM 362 N PRO A 747 4.655 5.726 2.470 1.00 1.00 N ATOM 363 CA PRO A 747 4.780 7.063 3.063 1.00 1.00 C ATOM 364 C PRO A 747 3.542 7.975 2.978 1.00 1.00 C ATOM 365 O PRO A 747 2.655 7.735 2.165 1.00 1.00 O ATOM 366 CB PRO A 747 5.985 7.690 2.341 1.00 1.00 C ATOM 367 CG PRO A 747 5.980 7.025 0.972 1.00 1.00 C ATOM 368 CD PRO A 747 5.538 5.607 1.316 1.00 1.00 C ATOM 0 HA PRO A 747 4.903 6.960 4.141 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.883 8.772 2.260 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.915 7.497 2.875 1.00 1.00 H new ATOM 0 HG2 PRO A 747 5.290 7.513 0.283 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.964 7.044 0.504 1.00 1.00 H new ATOM 0 HD2 PRO A 747 5.020 5.146 0.475 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.397 4.976 1.546 1.00 1.00 H new ATOM 376 N PRO A 748 3.513 9.091 3.740 1.00 1.00 N ATOM 377 CA PRO A 748 2.464 10.115 3.704 1.00 1.00 C ATOM 378 C PRO A 748 2.349 10.833 2.361 1.00 1.00 C ATOM 379 O PRO A 748 1.307 11.430 2.093 1.00 1.00 O ATOM 380 CB PRO A 748 2.822 11.150 4.775 1.00 1.00 C ATOM 381 CG PRO A 748 4.321 10.964 4.950 1.00 1.00 C ATOM 382 CD PRO A 748 4.503 9.467 4.740 1.00 1.00 C ATOM 0 HA PRO A 748 1.506 9.624 3.875 1.00 1.00 H new ATOM 0 HB2 PRO A 748 2.577 12.163 4.455 1.00 1.00 H new ATOM 0 HB3 PRO A 748 2.283 10.970 5.705 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.888 11.546 4.224 1.00 1.00 H new ATOM 0 HG3 PRO A 748 4.654 11.277 5.939 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.512 9.239 4.398 1.00 1.00 H new ATOM 0 HD3 PRO A 748 4.350 8.919 5.670 1.00 1.00 H new ATOM 390 N SER A 749 3.421 10.849 1.568 1.00 1.00 N ATOM 391 CA SER A 749 3.673 11.518 0.289 1.00 1.00 C ATOM 392 C SER A 749 2.666 11.249 -0.850 1.00 1.00 C ATOM 393 O SER A 749 2.964 11.476 -2.022 1.00 1.00 O ATOM 394 CB SER A 749 5.085 11.081 -0.113 1.00 1.00 C ATOM 395 OG SER A 749 5.988 11.334 0.952 1.00 1.00 O ATOM 0 H SER A 749 4.247 10.319 1.847 1.00 1.00 H new ATOM 0 HA SER A 749 3.559 12.592 0.438 1.00 1.00 H new ATOM 0 HB2 SER A 749 5.090 10.020 -0.362 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.402 11.619 -1.006 1.00 1.00 H new ATOM 0 HG SER A 749 6.889 11.051 0.691 1.00 1.00 H new ATOM 401 N LEU A 750 1.497 10.710 -0.525 1.00 1.00 N ATOM 402 CA LEU A 750 0.413 10.362 -1.412 1.00 1.00 C ATOM 403 C LEU A 750 -0.459 11.591 -1.587 1.00 1.00 C ATOM 404 O LEU A 750 -1.089 12.036 -0.627 1.00 1.00 O ATOM 405 CB LEU A 750 -0.370 9.206 -0.765 1.00 1.00 C ATOM 406 CG LEU A 750 0.308 7.817 -0.854 1.00 1.00 C ATOM 407 CD1 LEU A 750 1.792 7.798 -1.171 1.00 1.00 C ATOM 408 CD2 LEU A 750 0.046 7.009 0.404 1.00 1.00 C ATOM 0 H LEU A 750 1.273 10.491 0.446 1.00 1.00 H new ATOM 0 HA LEU A 750 0.767 10.042 -2.392 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.536 9.444 0.286 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -1.351 9.144 -1.237 1.00 1.00 H new ATOM 0 HG LEU A 750 -0.165 7.364 -1.725 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.144 6.767 -1.205 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.964 8.272 -2.138 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.336 8.342 -0.399 1.00 1.00 H new ATOM 0 HD21 LEU A 750 0.532 6.037 0.320 1.00 1.00 H new ATOM 0 HD22 LEU A 750 0.446 7.541 1.268 1.00 1.00 H new ATOM 0 HD23 LEU A 750 -1.028 6.869 0.529 1.00 1.00 H new ATOM 420 N ASN A 751 -0.497 12.131 -2.803 1.00 1.00 N ATOM 421 CA ASN A 751 -1.262 13.331 -3.113 1.00 1.00 C ATOM 422 C ASN A 751 -2.746 13.002 -2.989 1.00 1.00 C ATOM 423 O ASN A 751 -3.413 13.474 -2.070 1.00 1.00 O ATOM 424 CB ASN A 751 -0.900 13.884 -4.489 1.00 1.00 C ATOM 425 CG ASN A 751 0.476 14.538 -4.499 1.00 1.00 C ATOM 426 OD1 ASN A 751 1.490 13.862 -4.625 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.549 15.849 -4.363 1.00 1.00 N ATOM 0 H ASN A 751 0.005 11.745 -3.603 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.016 14.122 -2.404 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -0.923 13.077 -5.221 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -1.650 14.613 -4.795 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.458 16.312 -4.362 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.304 16.399 -4.259 1.00 1.00 H new ATOM 434 N SER A 752 -3.273 12.188 -3.907 1.00 1.00 N ATOM 435 CA SER A 752 -4.651 11.699 -3.859 1.00 1.00 C ATOM 436 C SER A 752 -4.681 10.285 -4.437 1.00 1.00 C ATOM 437 O SER A 752 -4.927 9.307 -3.718 1.00 1.00 O ATOM 438 CB SER A 752 -5.608 12.657 -4.597 1.00 1.00 C ATOM 439 OG SER A 752 -5.301 14.012 -4.323 1.00 1.00 O ATOM 0 H SER A 752 -2.748 11.847 -4.713 1.00 1.00 H new ATOM 0 HA SER A 752 -5.001 11.664 -2.827 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.546 12.479 -5.671 1.00 1.00 H new ATOM 0 HB3 SER A 752 -6.635 12.448 -4.298 1.00 1.00 H new ATOM 0 HG SER A 752 -5.925 14.593 -4.807 1.00 1.00 H new ATOM 445 N HIS A 753 -4.353 10.185 -5.731 1.00 1.00 N ATOM 446 CA HIS A 753 -4.356 8.943 -6.482 1.00 1.00 C ATOM 447 C HIS A 753 -3.453 7.893 -5.858 1.00 1.00 C ATOM 448 O HIS A 753 -3.791 6.724 -5.949 1.00 1.00 O ATOM 449 CB HIS A 753 -3.891 9.167 -7.927 1.00 1.00 C ATOM 450 CG HIS A 753 -4.840 9.952 -8.791 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.175 9.682 -8.986 1.00 1.00 N ATOM 452 CD2 HIS A 753 -4.500 10.990 -9.616 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.638 10.560 -9.884 1.00 1.00 C ATOM 454 NE2 HIS A 753 -5.650 11.359 -10.325 1.00 1.00 N ATOM 0 H HIS A 753 -4.073 10.991 -6.290 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.386 8.587 -6.467 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -2.931 9.683 -7.907 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -3.721 8.196 -8.392 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -3.523 11.442 -9.704 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.666 10.619 -10.210 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -5.724 12.088 -11.034 1.00 1.00 H new ATOM 462 N ASP A 754 -2.326 8.261 -5.243 1.00 1.00 N ATOM 463 CA ASP A 754 -1.361 7.322 -4.721 1.00 1.00 C ATOM 464 C ASP A 754 -2.020 6.469 -3.640 1.00 1.00 C ATOM 465 O ASP A 754 -2.058 5.251 -3.772 1.00 1.00 O ATOM 466 CB ASP A 754 -0.173 8.102 -4.166 1.00 1.00 C ATOM 467 CG ASP A 754 0.351 9.212 -5.061 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.313 10.277 -5.087 1.00 1.00 O ATOM 469 OD2 ASP A 754 1.405 9.036 -5.695 1.00 1.00 O ATOM 0 H ASP A 754 -2.065 9.236 -5.098 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.006 6.655 -5.507 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.460 8.535 -3.208 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.640 7.403 -3.969 1.00 1.00 H new ATOM 474 N ARG A 755 -2.601 7.087 -2.596 1.00 1.00 N ATOM 475 CA ARG A 755 -3.242 6.344 -1.506 1.00 1.00 C ATOM 476 C ARG A 755 -4.360 5.487 -2.082 1.00 1.00 C ATOM 477 O ARG A 755 -4.461 4.306 -1.758 1.00 1.00 O ATOM 478 CB ARG A 755 -3.778 7.281 -0.395 1.00 1.00 C ATOM 479 CG ARG A 755 -4.521 6.464 0.680 1.00 1.00 C ATOM 480 CD ARG A 755 -5.172 7.267 1.811 1.00 1.00 C ATOM 481 NE ARG A 755 -4.257 7.634 2.903 1.00 1.00 N ATOM 482 CZ ARG A 755 -4.008 8.867 3.368 1.00 1.00 C ATOM 483 NH1 ARG A 755 -4.506 9.954 2.778 1.00 1.00 N ATOM 484 NH2 ARG A 755 -3.243 8.993 4.446 1.00 1.00 N ATOM 0 H ARG A 755 -2.638 8.101 -2.488 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.494 5.706 -1.036 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.952 7.827 0.060 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.450 8.022 -0.828 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.295 5.875 0.188 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.817 5.759 1.122 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -5.602 8.177 1.393 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -5.996 6.686 2.224 1.00 1.00 H new ATOM 0 HE ARG A 755 -3.758 6.868 3.355 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -5.094 9.861 1.950 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -4.299 10.879 3.155 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -2.860 8.163 4.900 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -3.038 9.919 4.820 1.00 1.00 H new ATOM 498 N LEU A 756 -5.212 6.102 -2.904 1.00 1.00 N ATOM 499 CA LEU A 756 -6.367 5.437 -3.481 1.00 1.00 C ATOM 500 C LEU A 756 -5.930 4.198 -4.254 1.00 1.00 C ATOM 501 O LEU A 756 -6.447 3.109 -4.026 1.00 1.00 O ATOM 502 CB LEU A 756 -7.156 6.424 -4.321 1.00 1.00 C ATOM 503 CG LEU A 756 -8.322 5.811 -5.112 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.329 5.056 -4.240 1.00 1.00 C ATOM 505 CD2 LEU A 756 -9.042 6.949 -5.829 1.00 1.00 C ATOM 0 H LEU A 756 -5.115 7.078 -3.185 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.034 5.086 -2.694 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.549 7.203 -3.667 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.476 6.909 -5.021 1.00 1.00 H new ATOM 0 HG LEU A 756 -7.905 5.078 -5.803 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.123 4.652 -4.868 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.823 4.240 -3.724 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.759 5.738 -3.507 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.878 6.547 -6.402 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.415 7.663 -5.095 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -8.348 7.451 -6.503 1.00 1.00 H new ATOM 517 N ARG A 757 -4.958 4.347 -5.149 1.00 1.00 N ATOM 518 CA ARG A 757 -4.486 3.248 -5.964 1.00 1.00 C ATOM 519 C ARG A 757 -3.813 2.201 -5.087 1.00 1.00 C ATOM 520 O ARG A 757 -4.082 1.028 -5.301 1.00 1.00 O ATOM 521 CB ARG A 757 -3.585 3.763 -7.088 1.00 1.00 C ATOM 522 CG ARG A 757 -3.483 2.767 -8.249 1.00 1.00 C ATOM 523 CD ARG A 757 -4.774 2.699 -9.082 1.00 1.00 C ATOM 524 NE ARG A 757 -5.021 1.328 -9.559 1.00 1.00 N ATOM 525 CZ ARG A 757 -6.200 0.695 -9.621 1.00 1.00 C ATOM 526 NH1 ARG A 757 -7.327 1.303 -9.290 1.00 1.00 N ATOM 527 NH2 ARG A 757 -6.255 -0.569 -10.007 1.00 1.00 N ATOM 0 H ARG A 757 -4.481 5.232 -5.324 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.331 2.759 -6.449 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.974 4.711 -7.458 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.589 3.960 -6.692 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.652 3.051 -8.895 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.256 1.776 -7.855 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.618 3.036 -8.480 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.698 3.376 -9.933 1.00 1.00 H new ATOM 0 HE ARG A 757 -4.206 0.803 -9.877 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -7.310 2.274 -8.980 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -8.213 0.800 -9.345 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -5.399 -1.063 -10.258 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -7.154 -1.049 -10.054 1.00 1.00 H new ATOM 541 N VAL A 758 -2.993 2.578 -4.105 1.00 1.00 N ATOM 542 CA VAL A 758 -2.401 1.626 -3.164 1.00 1.00 C ATOM 543 C VAL A 758 -3.495 0.749 -2.547 1.00 1.00 C ATOM 544 O VAL A 758 -3.355 -0.476 -2.581 1.00 1.00 O ATOM 545 CB VAL A 758 -1.523 2.368 -2.128 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.089 1.491 -0.944 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.225 2.864 -2.789 1.00 1.00 C ATOM 0 H VAL A 758 -2.721 3.547 -3.940 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.729 0.946 -3.688 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.148 3.182 -1.761 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.477 2.079 -0.260 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.972 1.126 -0.419 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.510 0.644 -1.312 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.384 3.384 -2.050 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.331 2.013 -3.183 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.469 3.546 -3.603 1.00 1.00 H new ATOM 557 N HIS A 759 -4.583 1.347 -2.040 1.00 1.00 N ATOM 558 CA HIS A 759 -5.714 0.581 -1.532 1.00 1.00 C ATOM 559 C HIS A 759 -6.255 -0.344 -2.616 1.00 1.00 C ATOM 560 O HIS A 759 -6.332 -1.539 -2.384 1.00 1.00 O ATOM 561 CB HIS A 759 -6.852 1.475 -1.017 1.00 1.00 C ATOM 562 CG HIS A 759 -6.577 2.177 0.285 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.425 1.586 1.520 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.538 3.531 0.464 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.258 2.568 2.419 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.344 3.776 1.831 1.00 1.00 N ATOM 0 H HIS A 759 -4.697 2.358 -1.974 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.342 -0.002 -0.689 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.075 2.225 -1.776 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.747 0.864 -0.900 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.639 4.279 -0.309 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.079 2.411 3.472 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.281 4.686 2.288 1.00 1.00 H new ATOM 574 N GLN A 760 -6.608 0.181 -3.788 1.00 1.00 N ATOM 575 CA GLN A 760 -7.240 -0.567 -4.866 1.00 1.00 C ATOM 576 C GLN A 760 -6.400 -1.762 -5.333 1.00 1.00 C ATOM 577 O GLN A 760 -6.942 -2.847 -5.489 1.00 1.00 O ATOM 578 CB GLN A 760 -7.571 0.409 -5.999 1.00 1.00 C ATOM 579 CG GLN A 760 -8.717 1.357 -5.597 1.00 1.00 C ATOM 580 CD GLN A 760 -8.992 2.435 -6.642 1.00 1.00 C ATOM 581 OE1 GLN A 760 -8.091 2.986 -7.279 1.00 1.00 O ATOM 582 NE2 GLN A 760 -10.249 2.777 -6.850 1.00 1.00 N ATOM 0 H GLN A 760 -6.457 1.163 -4.017 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.163 -1.015 -4.499 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.685 0.991 -6.252 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.852 -0.148 -6.893 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.624 0.774 -5.436 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.472 1.833 -4.648 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.995 2.322 -6.324 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.475 3.496 -7.537 1.00 1.00 H new ATOM 591 N ILE A 761 -5.097 -1.619 -5.568 1.00 1.00 N ATOM 592 CA ILE A 761 -4.207 -2.721 -5.901 1.00 1.00 C ATOM 593 C ILE A 761 -4.226 -3.744 -4.754 1.00 1.00 C ATOM 594 O ILE A 761 -4.371 -4.945 -4.973 1.00 1.00 O ATOM 595 CB ILE A 761 -2.804 -2.123 -6.122 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.851 -1.078 -7.254 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.784 -3.228 -6.446 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.546 -0.287 -7.420 1.00 1.00 C ATOM 0 H ILE A 761 -4.625 -0.716 -5.531 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.519 -3.243 -6.806 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.485 -1.632 -5.203 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -3.081 -1.582 -8.192 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.666 -0.381 -7.059 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.801 -2.782 -6.598 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.738 -3.935 -5.618 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -2.090 -3.751 -7.352 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.655 0.429 -8.235 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.324 0.247 -6.496 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.731 -0.974 -7.647 1.00 1.00 H new ATOM 610 N ALA A 762 -4.073 -3.286 -3.513 1.00 1.00 N ATOM 611 CA ALA A 762 -4.066 -4.173 -2.360 1.00 1.00 C ATOM 612 C ALA A 762 -5.399 -4.931 -2.209 1.00 1.00 C ATOM 613 O ALA A 762 -5.431 -6.092 -1.793 1.00 1.00 O ATOM 614 CB ALA A 762 -3.688 -3.302 -1.154 1.00 1.00 C ATOM 0 H ALA A 762 -3.952 -2.300 -3.283 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.336 -4.975 -2.467 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.666 -3.916 -0.254 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.704 -2.862 -1.317 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.425 -2.508 -1.034 1.00 1.00 H new ATOM 620 N GLU A 763 -6.491 -4.277 -2.577 1.00 1.00 N ATOM 621 CA GLU A 763 -7.864 -4.738 -2.531 1.00 1.00 C ATOM 622 C GLU A 763 -8.154 -5.733 -3.660 1.00 1.00 C ATOM 623 O GLU A 763 -8.911 -6.688 -3.470 1.00 1.00 O ATOM 624 CB GLU A 763 -8.722 -3.464 -2.688 1.00 1.00 C ATOM 625 CG GLU A 763 -10.233 -3.653 -2.725 1.00 1.00 C ATOM 626 CD GLU A 763 -10.815 -3.503 -4.138 1.00 1.00 C ATOM 627 OE1 GLU A 763 -10.600 -2.468 -4.810 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.557 -4.400 -4.595 1.00 1.00 O ATOM 0 H GLU A 763 -6.429 -3.328 -2.947 1.00 1.00 H new ATOM 0 HA GLU A 763 -8.080 -5.265 -1.602 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.484 -2.791 -1.864 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -8.420 -2.962 -3.607 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.481 -4.641 -2.337 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.702 -2.924 -2.064 1.00 1.00 H new ATOM 635 N GLU A 764 -7.565 -5.507 -4.834 1.00 1.00 N ATOM 636 CA GLU A 764 -7.591 -6.340 -6.013 1.00 1.00 C ATOM 637 C GLU A 764 -6.876 -7.652 -5.703 1.00 1.00 C ATOM 638 O GLU A 764 -7.330 -8.724 -6.114 1.00 1.00 O ATOM 639 CB GLU A 764 -6.907 -5.520 -7.116 1.00 1.00 C ATOM 640 CG GLU A 764 -6.577 -6.284 -8.389 1.00 1.00 C ATOM 641 CD GLU A 764 -6.196 -5.365 -9.560 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.903 -4.160 -9.374 1.00 1.00 O ATOM 643 OE2 GLU A 764 -6.251 -5.832 -10.723 1.00 1.00 O ATOM 0 H GLU A 764 -7.014 -4.662 -4.986 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.596 -6.611 -6.338 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.552 -4.680 -7.374 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.984 -5.101 -6.714 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -5.754 -6.971 -8.191 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.436 -6.890 -8.675 1.00 1.00 H new ATOM 650 N HIS A 765 -5.769 -7.585 -4.968 1.00 1.00 N ATOM 651 CA HIS A 765 -5.042 -8.733 -4.495 1.00 1.00 C ATOM 652 C HIS A 765 -5.669 -9.171 -3.165 1.00 1.00 C ATOM 653 O HIS A 765 -6.872 -9.044 -2.939 1.00 1.00 O ATOM 654 CB HIS A 765 -3.558 -8.384 -4.409 1.00 1.00 C ATOM 655 CG HIS A 765 -2.980 -7.913 -5.716 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.104 -8.486 -6.965 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.271 -6.763 -5.860 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.486 -7.674 -7.841 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.956 -6.616 -7.210 1.00 1.00 N ATOM 0 H HIS A 765 -5.351 -6.699 -4.683 1.00 1.00 H new ATOM 0 HA HIS A 765 -5.108 -9.582 -5.176 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.418 -7.608 -3.657 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -3.005 -9.260 -4.070 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.999 -6.082 -5.067 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.425 -7.850 -8.905 1.00 1.00 H new ATOM 0 HE2 HIS A 765 -1.427 -5.854 -7.634 1.00 1.00 H new ATOM 667 N GLY A 766 -4.858 -9.736 -2.289 1.00 1.00 N ATOM 668 CA GLY A 766 -5.195 -10.320 -1.021 1.00 1.00 C ATOM 669 C GLY A 766 -4.420 -9.624 0.078 1.00 1.00 C ATOM 670 O GLY A 766 -3.644 -10.267 0.800 1.00 1.00 O ATOM 0 H GLY A 766 -3.857 -9.799 -2.473 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.266 -10.228 -0.840 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.963 -11.385 -1.026 1.00 1.00 H new ATOM 674 N LEU A 767 -4.573 -8.298 0.169 1.00 1.00 N ATOM 675 CA LEU A 767 -3.835 -7.525 1.143 1.00 1.00 C ATOM 676 C LEU A 767 -4.759 -6.683 2.007 1.00 1.00 C ATOM 677 O LEU A 767 -5.818 -6.247 1.549 1.00 1.00 O ATOM 678 CB LEU A 767 -2.912 -6.523 0.426 1.00 1.00 C ATOM 679 CG LEU A 767 -1.996 -6.988 -0.709 1.00 1.00 C ATOM 680 CD1 LEU A 767 -1.050 -5.866 -1.151 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.096 -8.122 -0.280 1.00 1.00 C ATOM 0 H LEU A 767 -5.200 -7.751 -0.421 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.282 -8.240 1.752 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.545 -5.732 0.025 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.277 -6.069 1.187 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.665 -7.298 -1.511 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.412 -6.225 -1.958 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.634 -5.015 -1.502 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.431 -5.559 -0.308 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.463 -8.421 -1.116 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.470 -7.796 0.550 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.704 -8.970 0.036 1.00 1.00 H new ATOM 693 N ARG A 768 -4.351 -6.449 3.254 1.00 1.00 N ATOM 694 CA ARG A 768 -5.053 -5.547 4.165 1.00 1.00 C ATOM 695 C ARG A 768 -4.475 -4.201 3.752 1.00 1.00 C ATOM 696 O ARG A 768 -3.285 -4.145 3.430 1.00 1.00 O ATOM 697 CB ARG A 768 -4.724 -5.841 5.641 1.00 1.00 C ATOM 698 CG ARG A 768 -5.229 -4.747 6.606 1.00 1.00 C ATOM 699 CD ARG A 768 -4.828 -5.009 8.067 1.00 1.00 C ATOM 700 NE ARG A 768 -4.451 -3.778 8.783 1.00 1.00 N ATOM 701 CZ ARG A 768 -5.223 -2.733 9.100 1.00 1.00 C ATOM 702 NH1 ARG A 768 -6.526 -2.749 8.857 1.00 1.00 N ATOM 703 NH2 ARG A 768 -4.688 -1.647 9.651 1.00 1.00 N ATOM 0 H ARG A 768 -3.522 -6.881 3.661 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.138 -5.624 4.101 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.167 -6.797 5.922 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -3.645 -5.945 5.752 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -4.832 -3.781 6.293 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.315 -4.682 6.538 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.658 -5.487 8.587 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -3.992 -5.708 8.090 1.00 1.00 H new ATOM 0 HE ARG A 768 -3.476 -3.715 9.075 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -6.954 -3.567 8.422 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -7.101 -1.944 9.105 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -3.685 -1.609 9.833 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -5.281 -0.852 9.891 1.00 1.00 H new ATOM 717 N HIS A 769 -5.255 -3.128 3.750 1.00 1.00 N ATOM 718 CA HIS A 769 -4.761 -1.837 3.314 1.00 1.00 C ATOM 719 C HIS A 769 -5.441 -0.748 4.132 1.00 1.00 C ATOM 720 O HIS A 769 -6.636 -0.503 3.972 1.00 1.00 O ATOM 721 CB HIS A 769 -5.102 -1.698 1.814 1.00 1.00 C ATOM 722 CG HIS A 769 -6.474 -2.200 1.389 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.707 -1.680 1.722 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.706 -3.356 0.693 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.651 -2.489 1.216 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.087 -3.537 0.597 1.00 1.00 N ATOM 0 H HIS A 769 -6.231 -3.130 4.046 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.684 -1.746 3.456 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.022 -0.646 1.540 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.347 -2.235 1.240 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.873 -0.829 2.259 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -5.951 -4.014 0.288 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.715 -2.320 1.296 1.00 1.00 H new ATOM 734 N ASP A 770 -4.690 -0.030 4.956 1.00 1.00 N ATOM 735 CA ASP A 770 -5.283 0.954 5.865 1.00 1.00 C ATOM 736 C ASP A 770 -4.294 2.072 6.175 1.00 1.00 C ATOM 737 O ASP A 770 -3.115 1.945 5.851 1.00 1.00 O ATOM 738 CB ASP A 770 -5.634 0.188 7.147 1.00 1.00 C ATOM 739 CG ASP A 770 -6.468 0.960 8.165 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.128 1.961 7.802 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.494 0.525 9.343 1.00 1.00 O ATOM 0 H ASP A 770 -3.675 -0.106 5.017 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.162 1.420 5.419 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -6.175 -0.718 6.872 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.707 -0.127 7.627 1.00 1.00 H new ATOM 746 N SER A 771 -4.736 3.159 6.809 1.00 1.00 N ATOM 747 CA SER A 771 -3.807 4.197 7.235 1.00 1.00 C ATOM 748 C SER A 771 -3.416 3.888 8.681 1.00 1.00 C ATOM 749 O SER A 771 -4.043 3.080 9.374 1.00 1.00 O ATOM 750 CB SER A 771 -4.352 5.610 7.036 1.00 1.00 C ATOM 751 OG SER A 771 -4.484 5.906 5.651 1.00 1.00 O ATOM 0 H SER A 771 -5.714 3.339 7.034 1.00 1.00 H new ATOM 0 HA SER A 771 -2.917 4.184 6.606 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.320 5.704 7.527 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.684 6.332 7.506 1.00 1.00 H new ATOM 0 HG SER A 771 -4.836 6.814 5.543 1.00 1.00 H new ATOM 757 N SER A 772 -2.299 4.441 9.117 1.00 1.00 N ATOM 758 CA SER A 772 -1.675 4.205 10.412 1.00 1.00 C ATOM 759 C SER A 772 -1.004 5.501 10.879 1.00 1.00 C ATOM 760 O SER A 772 -0.928 6.456 10.099 1.00 1.00 O ATOM 761 CB SER A 772 -0.713 3.018 10.277 1.00 1.00 C ATOM 762 OG SER A 772 -1.416 1.872 9.802 1.00 1.00 O ATOM 0 H SER A 772 -1.772 5.103 8.548 1.00 1.00 H new ATOM 0 HA SER A 772 -2.402 3.938 11.179 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.095 3.270 9.590 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.254 2.800 11.241 1.00 1.00 H new ATOM 0 HG SER A 772 -0.808 1.309 9.278 1.00 1.00 H new ATOM 768 N GLY A 773 -0.611 5.587 12.147 1.00 1.00 N ATOM 769 CA GLY A 773 -0.049 6.772 12.782 1.00 1.00 C ATOM 770 C GLY A 773 -1.093 7.417 13.682 1.00 1.00 C ATOM 771 O GLY A 773 -2.292 7.360 13.403 1.00 1.00 O ATOM 0 H GLY A 773 -0.679 4.796 12.787 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.831 6.501 13.366 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.279 7.482 12.023 1.00 1.00 H new ATOM 775 N GLU A 774 -0.647 8.045 14.767 1.00 1.00 N ATOM 776 CA GLU A 774 -1.539 8.648 15.750 1.00 1.00 C ATOM 777 C GLU A 774 -2.051 9.993 15.223 1.00 1.00 C ATOM 778 O GLU A 774 -3.236 10.112 14.904 1.00 1.00 O ATOM 779 CB GLU A 774 -0.791 8.737 17.091 1.00 1.00 C ATOM 780 CG GLU A 774 -1.575 9.234 18.311 1.00 1.00 C ATOM 781 CD GLU A 774 -1.966 10.703 18.248 1.00 1.00 C ATOM 782 OE1 GLU A 774 -1.072 11.562 18.077 1.00 1.00 O ATOM 783 OE2 GLU A 774 -3.177 10.986 18.391 1.00 1.00 O ATOM 0 H GLU A 774 0.343 8.149 14.988 1.00 1.00 H new ATOM 0 HA GLU A 774 -2.428 8.041 15.920 1.00 1.00 H new ATOM 0 HB2 GLU A 774 -0.400 7.746 17.324 1.00 1.00 H new ATOM 0 HB3 GLU A 774 0.068 9.394 16.953 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -2.479 8.634 18.417 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -0.975 9.068 19.206 1.00 1.00 H new ATOM 790 N GLY A 775 -1.167 10.981 15.066 1.00 1.00 N ATOM 791 CA GLY A 775 -1.512 12.343 14.684 1.00 1.00 C ATOM 792 C GLY A 775 -0.823 12.743 13.390 1.00 1.00 C ATOM 793 O GLY A 775 -1.091 12.151 12.344 1.00 1.00 O ATOM 0 H GLY A 775 -0.166 10.847 15.206 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -2.592 12.427 14.565 1.00 1.00 H new ATOM 0 HA3 GLY A 775 -1.224 13.030 15.480 1.00 1.00 H new ATOM 797 N LYS A 776 0.072 13.734 13.435 1.00 1.00 N ATOM 798 CA LYS A 776 0.775 14.305 12.276 1.00 1.00 C ATOM 799 C LYS A 776 1.890 13.405 11.740 1.00 1.00 C ATOM 800 O LYS A 776 2.838 13.887 11.121 1.00 1.00 O ATOM 801 CB LYS A 776 1.269 15.722 12.624 1.00 1.00 C ATOM 802 CG LYS A 776 0.086 16.692 12.560 1.00 1.00 C ATOM 803 CD LYS A 776 0.405 18.047 13.191 1.00 1.00 C ATOM 804 CE LYS A 776 -0.693 19.078 12.904 1.00 1.00 C ATOM 805 NZ LYS A 776 -2.069 18.593 13.152 1.00 1.00 N ATOM 0 H LYS A 776 0.339 14.180 14.313 1.00 1.00 H new ATOM 0 HA LYS A 776 0.065 14.375 11.452 1.00 1.00 H new ATOM 0 HB2 LYS A 776 1.711 15.733 13.620 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.048 16.031 11.927 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -0.204 16.839 11.519 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.770 16.250 13.070 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.521 17.929 14.268 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.357 18.413 12.806 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.516 19.960 13.519 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -0.614 19.394 11.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -2.737 19.385 13.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -2.309 17.859 12.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 -2.129 18.193 14.110 1.00 1.00 H new ATOM 818 N ARG A 777 1.807 12.101 11.984 1.00 1.00 N ATOM 819 CA ARG A 777 2.707 11.088 11.459 1.00 1.00 C ATOM 820 C ARG A 777 1.844 10.016 10.805 1.00 1.00 C ATOM 821 O ARG A 777 2.076 8.827 11.020 1.00 1.00 O ATOM 822 CB ARG A 777 3.640 10.574 12.561 1.00 1.00 C ATOM 823 CG ARG A 777 4.583 11.686 13.038 1.00 1.00 C ATOM 824 CD ARG A 777 5.808 11.140 13.782 1.00 1.00 C ATOM 825 NE ARG A 777 5.576 10.951 15.223 1.00 1.00 N ATOM 826 CZ ARG A 777 5.791 11.884 16.159 1.00 1.00 C ATOM 827 NH1 ARG A 777 6.053 13.139 15.805 1.00 1.00 N ATOM 828 NH2 ARG A 777 5.759 11.560 17.446 1.00 1.00 N ATOM 0 H ARG A 777 1.078 11.708 12.579 1.00 1.00 H new ATOM 0 HA ARG A 777 3.380 11.487 10.700 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.050 10.206 13.401 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.223 9.732 12.187 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.914 12.270 12.179 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.037 12.365 13.693 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.099 10.187 13.340 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.645 11.825 13.642 1.00 1.00 H new ATOM 0 HE ARG A 777 5.226 10.044 15.531 1.00 1.00 H new ATOM 0 HH11 ARG A 777 6.091 13.393 14.818 1.00 1.00 H new ATOM 0 HH12 ARG A 777 6.216 13.847 16.521 1.00 1.00 H new ATOM 0 HH21 ARG A 777 5.570 10.597 17.725 1.00 1.00 H new ATOM 0 HH22 ARG A 777 5.923 12.274 18.156 1.00 1.00 H new ATOM 842 N ARG A 778 0.823 10.424 10.041 1.00 1.00 N ATOM 843 CA ARG A 778 -0.055 9.490 9.348 1.00 1.00 C ATOM 844 C ARG A 778 0.694 8.939 8.144 1.00 1.00 C ATOM 845 O ARG A 778 1.456 9.659 7.512 1.00 1.00 O ATOM 846 CB ARG A 778 -1.379 10.168 8.943 1.00 1.00 C ATOM 847 CG ARG A 778 -2.309 9.193 8.190 1.00 1.00 C ATOM 848 CD ARG A 778 -3.745 9.689 7.996 1.00 1.00 C ATOM 849 NE ARG A 778 -4.441 9.939 9.268 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.724 10.286 9.409 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.552 10.281 8.367 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.169 10.637 10.605 1.00 1.00 N ATOM 0 H ARG A 778 0.588 11.405 9.890 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.325 8.668 10.010 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.885 10.540 9.834 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.168 11.031 8.312 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -1.877 8.985 7.211 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.337 8.248 8.733 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.731 10.607 7.409 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.304 8.951 7.420 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.893 9.838 10.122 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -6.210 10.010 7.445 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -7.529 10.548 8.490 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.535 10.640 11.404 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.146 10.904 10.728 1.00 1.00 H new ATOM 866 N PHE A 779 0.448 7.684 7.798 1.00 1.00 N ATOM 867 CA PHE A 779 0.982 6.995 6.631 1.00 1.00 C ATOM 868 C PHE A 779 0.009 5.855 6.293 1.00 1.00 C ATOM 869 O PHE A 779 -1.067 5.780 6.895 1.00 1.00 O ATOM 870 CB PHE A 779 2.410 6.517 6.937 1.00 1.00 C ATOM 871 CG PHE A 779 2.495 5.455 8.012 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.340 5.798 9.368 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.700 4.113 7.658 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.404 4.817 10.365 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.744 3.131 8.656 1.00 1.00 C ATOM 876 CZ PHE A 779 2.623 3.478 10.009 1.00 1.00 C ATOM 0 H PHE A 779 -0.163 7.086 8.354 1.00 1.00 H new ATOM 0 HA PHE A 779 1.061 7.644 5.759 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.854 6.127 6.021 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.010 7.374 7.242 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.170 6.829 9.642 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.823 3.838 6.621 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.285 5.090 11.403 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.873 2.095 8.380 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.698 2.718 10.773 1.00 1.00 H new ATOM 886 N ILE A 780 0.339 4.995 5.329 1.00 1.00 N ATOM 887 CA ILE A 780 -0.418 3.795 4.953 1.00 1.00 C ATOM 888 C ILE A 780 0.364 2.526 5.204 1.00 1.00 C ATOM 889 O ILE A 780 1.556 2.451 4.940 1.00 1.00 O ATOM 890 CB ILE A 780 -1.066 3.911 3.552 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.638 2.604 2.928 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.232 4.684 2.541 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.005 2.801 2.278 1.00 1.00 C ATOM 0 H ILE A 780 1.178 5.119 4.762 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.273 3.721 5.625 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.947 4.508 3.787 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -0.938 2.228 2.182 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.717 1.842 3.704 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.757 4.719 1.587 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.070 5.699 2.903 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.730 4.189 2.408 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.350 1.854 1.862 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.717 3.149 3.026 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -2.926 3.540 1.481 1.00 1.00 H new ATOM 905 N THR A 781 -0.327 1.525 5.722 1.00 1.00 N ATOM 906 CA THR A 781 0.178 0.199 5.938 1.00 1.00 C ATOM 907 C THR A 781 -0.618 -0.720 5.026 1.00 1.00 C ATOM 908 O THR A 781 -1.842 -0.603 4.916 1.00 1.00 O ATOM 909 CB THR A 781 -0.065 -0.209 7.395 1.00 1.00 C ATOM 910 OG1 THR A 781 0.681 0.599 8.283 1.00 1.00 O ATOM 911 CG2 THR A 781 0.299 -1.679 7.602 1.00 1.00 C ATOM 0 H THR A 781 -1.299 1.630 6.014 1.00 1.00 H new ATOM 0 HA THR A 781 1.247 0.144 5.731 1.00 1.00 H new ATOM 0 HB THR A 781 -1.124 -0.067 7.609 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.181 1.270 7.773 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.121 -1.955 8.641 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.316 -2.301 6.951 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.351 -1.831 7.361 1.00 1.00 H new ATOM 919 N VAL A 782 0.072 -1.663 4.406 1.00 1.00 N ATOM 920 CA VAL A 782 -0.533 -2.694 3.600 1.00 1.00 C ATOM 921 C VAL A 782 0.120 -4.006 4.028 1.00 1.00 C ATOM 922 O VAL A 782 1.336 -4.055 4.219 1.00 1.00 O ATOM 923 CB VAL A 782 -0.420 -2.398 2.091 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.489 -1.422 1.608 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.895 -1.738 1.691 1.00 1.00 C ATOM 0 H VAL A 782 1.089 -1.729 4.454 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.609 -2.750 3.763 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.519 -3.386 1.642 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.366 -1.247 0.539 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.477 -1.843 1.795 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.389 -0.478 2.144 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.901 -1.561 0.616 1.00 1.00 H new ATOM 0 HG22 VAL A 782 1.000 -0.788 2.216 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.726 -2.392 1.955 1.00 1.00 H new ATOM 935 N SER A 783 -0.672 -5.063 4.203 1.00 1.00 N ATOM 936 CA SER A 783 -0.170 -6.354 4.700 1.00 1.00 C ATOM 937 C SER A 783 -0.581 -7.506 3.794 1.00 1.00 C ATOM 938 O SER A 783 -1.651 -7.467 3.207 1.00 1.00 O ATOM 939 CB SER A 783 -0.613 -6.626 6.138 1.00 1.00 C ATOM 940 OG SER A 783 -0.309 -5.560 7.019 1.00 1.00 O ATOM 0 H SER A 783 -1.673 -5.055 4.007 1.00 1.00 H new ATOM 0 HA SER A 783 0.918 -6.285 4.691 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.688 -6.808 6.154 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.130 -7.535 6.496 1.00 1.00 H new ATOM 0 HG SER A 783 -0.615 -5.785 7.923 1.00 1.00 H new ATOM 946 N LYS A 784 0.250 -8.544 3.700 1.00 1.00 N ATOM 947 CA LYS A 784 0.090 -9.699 2.807 1.00 1.00 C ATOM 948 C LYS A 784 -0.603 -10.880 3.455 1.00 1.00 C ATOM 949 O LYS A 784 -0.143 -11.316 4.515 1.00 1.00 O ATOM 950 CB LYS A 784 1.472 -10.165 2.310 1.00 1.00 C ATOM 951 CG LYS A 784 2.008 -9.337 1.133 1.00 1.00 C ATOM 952 CD LYS A 784 1.805 -9.940 -0.272 1.00 1.00 C ATOM 953 CE LYS A 784 0.670 -10.962 -0.438 1.00 1.00 C ATOM 954 NZ LYS A 784 0.568 -11.414 -1.836 1.00 1.00 N ATOM 0 H LYS A 784 1.094 -8.609 4.270 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.541 -9.359 1.986 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.183 -10.113 3.135 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.408 -11.211 2.010 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.531 -8.357 1.158 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.075 -9.175 1.286 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.627 -9.121 -0.969 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.737 -10.418 -0.573 1.00 1.00 H new ATOM 0 HE2 LYS A 784 0.848 -11.818 0.213 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.274 -10.516 -0.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.124 -12.188 -1.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.259 -10.622 -2.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.497 -11.751 -2.160 1.00 1.00 H new ATOM 967 N ARG A 785 -1.676 -11.403 2.838 1.00 1.00 N ATOM 968 CA ARG A 785 -2.297 -12.619 3.351 1.00 1.00 C ATOM 969 C ARG A 785 -1.424 -13.795 2.909 1.00 1.00 C ATOM 970 O ARG A 785 -1.318 -14.036 1.704 1.00 1.00 O ATOM 971 CB ARG A 785 -3.698 -12.809 2.730 1.00 1.00 C ATOM 972 CG ARG A 785 -4.812 -11.982 3.390 1.00 1.00 C ATOM 973 CD ARG A 785 -5.242 -12.552 4.751 1.00 1.00 C ATOM 974 NE ARG A 785 -5.890 -13.873 4.632 1.00 1.00 N ATOM 975 CZ ARG A 785 -5.294 -15.072 4.689 1.00 1.00 C ATOM 976 NH1 ARG A 785 -4.047 -15.197 5.123 1.00 1.00 N ATOM 977 NH2 ARG A 785 -5.937 -16.156 4.287 1.00 1.00 N ATOM 0 H ARG A 785 -2.116 -11.010 2.006 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.390 -12.559 4.435 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.650 -12.549 1.673 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -3.965 -13.864 2.787 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.469 -10.956 3.522 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -5.675 -11.946 2.726 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -4.369 -12.636 5.398 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -5.929 -11.856 5.232 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.900 -13.873 4.491 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -3.525 -14.372 5.420 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -3.610 -16.118 5.159 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -6.890 -16.081 3.932 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -5.479 -17.067 4.332 1.00 1.00 H new ATOM 991 N ALA A 786 -0.775 -14.487 3.845 1.00 1.00 N ATOM 992 CA ALA A 786 -0.017 -15.700 3.558 1.00 1.00 C ATOM 993 C ALA A 786 -0.991 -16.882 3.580 1.00 1.00 C ATOM 994 O ALA A 786 -2.218 -16.689 3.708 1.00 1.00 O ATOM 995 CB ALA A 786 1.108 -15.886 4.587 1.00 1.00 C ATOM 0 H ALA A 786 -0.762 -14.218 4.829 1.00 1.00 H new ATOM 0 HA ALA A 786 0.454 -15.632 2.577 1.00 1.00 H new ATOM 0 HB1 ALA A 786 1.664 -16.795 4.358 1.00 1.00 H new ATOM 0 HB2 ALA A 786 1.782 -15.030 4.548 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.678 -15.965 5.586 1.00 1.00 H new TER 1001 ALA A 786