USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 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 3:sc= 1.27 USER MOD Set 1.2: A 781 THR OG1 : rot 146:sc= 0.792 USER MOD Set 2.1: A 759 HIS : no HE2:sc= -2.18! C(o=-2.6!,f=-10!) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -0.391 K(o=-2.6,f=-8.2) USER MOD Single : A 728 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.011) USER MOD Single : A 732 MET CE :methyl 159:sc= -0.0158 (180deg=-0.584) USER MOD Single : A 737 MET CE :methyl -169:sc= -0.204 (180deg=-0.436) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ -147:sc= -0.0281 (180deg=-1.23) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 162:sc= 0 (180deg=-0.122) USER MOD Single : A 743 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.8) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0542 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 180:sc=-0.00837 USER MOD Single : A 753 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.033) USER MOD Single : A 760 GLN : amide:sc= 0.66 K(o=0.66,f=-5.6!) USER MOD Single : A 765 HIS : no HE2:sc= -0.291 K(o=-0.29,f=-1.3) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ 140:sc= 0.00297 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -2.231 7.488 -12.394 1.00 1.00 N ATOM 2 CA GLY A 725 -1.719 6.983 -11.112 1.00 1.00 C ATOM 3 C GLY A 725 -0.325 6.419 -11.282 1.00 1.00 C ATOM 4 O GLY A 725 -0.093 5.647 -12.207 1.00 1.00 O ATOM 0 HA2 GLY A 725 -1.705 7.788 -10.377 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -2.385 6.211 -10.726 1.00 1.00 H new ATOM 8 N VAL A 726 0.603 6.799 -10.403 1.00 1.00 N ATOM 9 CA VAL A 726 2.008 6.407 -10.464 1.00 1.00 C ATOM 10 C VAL A 726 2.160 4.883 -10.380 1.00 1.00 C ATOM 11 O VAL A 726 1.875 4.263 -9.353 1.00 1.00 O ATOM 12 CB VAL A 726 2.785 7.163 -9.383 1.00 1.00 C ATOM 13 CG1 VAL A 726 4.215 6.657 -9.189 1.00 1.00 C ATOM 14 CG2 VAL A 726 2.797 8.669 -9.660 1.00 1.00 C ATOM 0 H VAL A 726 0.391 7.403 -9.609 1.00 1.00 H new ATOM 0 HA VAL A 726 2.435 6.685 -11.428 1.00 1.00 H new ATOM 0 HB VAL A 726 2.252 6.969 -8.452 1.00 1.00 H new ATOM 0 HG11 VAL A 726 4.704 7.239 -8.408 1.00 1.00 H new ATOM 0 HG12 VAL A 726 4.193 5.607 -8.899 1.00 1.00 H new ATOM 0 HG13 VAL A 726 4.769 6.764 -10.122 1.00 1.00 H new ATOM 0 HG21 VAL A 726 3.356 9.179 -8.875 1.00 1.00 H new ATOM 0 HG22 VAL A 726 3.270 8.858 -10.624 1.00 1.00 H new ATOM 0 HG23 VAL A 726 1.774 9.044 -9.678 1.00 1.00 H new ATOM 24 N ASP A 727 2.629 4.274 -11.466 1.00 1.00 N ATOM 25 CA ASP A 727 2.807 2.830 -11.588 1.00 1.00 C ATOM 26 C ASP A 727 3.959 2.301 -10.729 1.00 1.00 C ATOM 27 O ASP A 727 4.008 1.105 -10.451 1.00 1.00 O ATOM 28 CB ASP A 727 3.034 2.472 -13.056 1.00 1.00 C ATOM 29 CG ASP A 727 2.867 0.975 -13.309 1.00 1.00 C ATOM 30 OD1 ASP A 727 1.703 0.505 -13.260 1.00 1.00 O ATOM 31 OD2 ASP A 727 3.860 0.309 -13.679 1.00 1.00 O ATOM 0 H ASP A 727 2.902 4.784 -12.306 1.00 1.00 H new ATOM 0 HA ASP A 727 1.899 2.353 -11.219 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.331 3.026 -13.678 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.036 2.781 -13.355 1.00 1.00 H new ATOM 36 N HIS A 728 4.854 3.172 -10.238 1.00 1.00 N ATOM 37 CA HIS A 728 5.921 2.768 -9.321 1.00 1.00 C ATOM 38 C HIS A 728 5.329 2.069 -8.094 1.00 1.00 C ATOM 39 O HIS A 728 5.911 1.101 -7.596 1.00 1.00 O ATOM 40 CB HIS A 728 6.743 3.965 -8.823 1.00 1.00 C ATOM 41 CG HIS A 728 7.316 4.884 -9.866 1.00 1.00 C ATOM 42 ND1 HIS A 728 7.898 4.518 -11.056 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.433 6.240 -9.741 1.00 1.00 C ATOM 44 CE1 HIS A 728 8.325 5.639 -11.660 1.00 1.00 C ATOM 45 NE2 HIS A 728 8.053 6.719 -10.901 1.00 1.00 N ATOM 0 H HIS A 728 4.856 4.166 -10.465 1.00 1.00 H new ATOM 0 HA HIS A 728 6.571 2.096 -9.881 1.00 1.00 H new ATOM 0 HB2 HIS A 728 6.111 4.557 -8.161 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.567 3.582 -8.220 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.106 6.834 -8.900 1.00 1.00 H new ATOM 0 HE1 HIS A 728 8.818 5.671 -12.620 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.258 7.692 -11.127 1.00 1.00 H new ATOM 53 N PHE A 729 4.172 2.548 -7.617 1.00 1.00 N ATOM 54 CA PHE A 729 3.484 1.941 -6.493 1.00 1.00 C ATOM 55 C PHE A 729 3.080 0.524 -6.855 1.00 1.00 C ATOM 56 O PHE A 729 3.440 -0.389 -6.123 1.00 1.00 O ATOM 57 CB PHE A 729 2.251 2.751 -6.075 1.00 1.00 C ATOM 58 CG PHE A 729 2.499 4.210 -5.751 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.504 4.586 -4.838 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.683 5.199 -6.332 1.00 1.00 C ATOM 61 CE1 PHE A 729 3.687 5.940 -4.509 1.00 1.00 C ATOM 62 CE2 PHE A 729 1.878 6.550 -6.011 1.00 1.00 C ATOM 63 CZ PHE A 729 2.880 6.921 -5.104 1.00 1.00 C ATOM 0 H PHE A 729 3.697 3.363 -8.004 1.00 1.00 H new ATOM 0 HA PHE A 729 4.167 1.926 -5.644 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.515 2.697 -6.877 1.00 1.00 H new ATOM 0 HB3 PHE A 729 1.806 2.275 -5.201 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.135 3.832 -4.390 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.905 4.917 -7.026 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.449 6.225 -3.798 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.254 7.307 -6.464 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.031 7.963 -4.863 1.00 1.00 H new ATOM 73 N ARG A 730 2.376 0.326 -7.978 1.00 1.00 N ATOM 74 CA ARG A 730 1.971 -0.995 -8.453 1.00 1.00 C ATOM 75 C ARG A 730 3.179 -1.918 -8.467 1.00 1.00 C ATOM 76 O ARG A 730 3.100 -2.979 -7.860 1.00 1.00 O ATOM 77 CB ARG A 730 1.283 -0.873 -9.825 1.00 1.00 C ATOM 78 CG ARG A 730 0.863 -2.190 -10.495 1.00 1.00 C ATOM 79 CD ARG A 730 -0.273 -2.969 -9.814 1.00 1.00 C ATOM 80 NE ARG A 730 -0.790 -3.978 -10.749 1.00 1.00 N ATOM 81 CZ ARG A 730 -2.032 -4.458 -10.862 1.00 1.00 C ATOM 82 NH1 ARG A 730 -2.914 -4.319 -9.875 1.00 1.00 N ATOM 83 NH2 ARG A 730 -2.378 -5.068 -11.987 1.00 1.00 N ATOM 0 H ARG A 730 2.071 1.088 -8.584 1.00 1.00 H new ATOM 0 HA ARG A 730 1.238 -1.437 -7.778 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.396 -0.250 -9.709 1.00 1.00 H new ATOM 0 HB3 ARG A 730 1.957 -0.345 -10.500 1.00 1.00 H new ATOM 0 HG2 ARG A 730 0.562 -1.972 -11.519 1.00 1.00 H new ATOM 0 HG3 ARG A 730 1.737 -2.839 -10.551 1.00 1.00 H new ATOM 0 HD2 ARG A 730 0.092 -3.449 -8.906 1.00 1.00 H new ATOM 0 HD3 ARG A 730 -1.070 -2.288 -9.516 1.00 1.00 H new ATOM 0 HE ARG A 730 -0.107 -4.365 -11.401 1.00 1.00 H new ATOM 0 HH11 ARG A 730 -2.646 -3.840 -9.015 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -3.858 -4.692 -9.978 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -1.701 -5.163 -12.744 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -3.321 -5.442 -12.095 1.00 1.00 H new ATOM 97 N ALA A 731 4.300 -1.496 -9.051 1.00 1.00 N ATOM 98 CA ALA A 731 5.505 -2.308 -9.075 1.00 1.00 C ATOM 99 C ALA A 731 6.014 -2.661 -7.677 1.00 1.00 C ATOM 100 O ALA A 731 6.440 -3.802 -7.484 1.00 1.00 O ATOM 101 CB ALA A 731 6.580 -1.597 -9.900 1.00 1.00 C ATOM 0 H ALA A 731 4.394 -0.592 -9.514 1.00 1.00 H new ATOM 0 HA ALA A 731 5.257 -3.260 -9.545 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.485 -2.204 -9.919 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.220 -1.450 -10.918 1.00 1.00 H new ATOM 0 HB3 ALA A 731 6.802 -0.629 -9.451 1.00 1.00 H new ATOM 107 N MET A 732 5.978 -1.737 -6.707 1.00 1.00 N ATOM 108 CA MET A 732 6.351 -2.066 -5.333 1.00 1.00 C ATOM 109 C MET A 732 5.396 -3.113 -4.766 1.00 1.00 C ATOM 110 O MET A 732 5.849 -4.072 -4.144 1.00 1.00 O ATOM 111 CB MET A 732 6.346 -0.833 -4.423 1.00 1.00 C ATOM 112 CG MET A 732 7.618 0.004 -4.560 1.00 1.00 C ATOM 113 SD MET A 732 7.765 1.384 -3.390 1.00 1.00 S ATOM 114 CE MET A 732 7.946 0.485 -1.827 1.00 1.00 C ATOM 0 H MET A 732 5.697 -0.767 -6.850 1.00 1.00 H new ATOM 0 HA MET A 732 7.367 -2.461 -5.362 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.481 -0.214 -4.661 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.235 -1.151 -3.386 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.480 -0.651 -4.435 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.665 0.402 -5.574 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.409 1.135 -1.085 1.00 1.00 H new ATOM 0 HE2 MET A 732 6.964 0.171 -1.472 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.574 -0.392 -1.983 1.00 1.00 H new ATOM 124 N ILE A 733 4.083 -2.943 -4.963 1.00 1.00 N ATOM 125 CA ILE A 733 3.116 -3.904 -4.450 1.00 1.00 C ATOM 126 C ILE A 733 3.312 -5.262 -5.119 1.00 1.00 C ATOM 127 O ILE A 733 3.172 -6.276 -4.449 1.00 1.00 O ATOM 128 CB ILE A 733 1.647 -3.401 -4.500 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.502 -1.958 -3.978 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.785 -4.307 -3.617 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.128 -1.474 -3.508 1.00 1.00 C ATOM 0 H ILE A 733 3.675 -2.157 -5.469 1.00 1.00 H new ATOM 0 HA ILE A 733 3.314 -4.026 -3.385 1.00 1.00 H new ATOM 0 HB ILE A 733 1.330 -3.424 -5.543 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.196 -1.838 -3.146 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.834 -1.287 -4.770 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.249 -3.964 -3.644 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.837 -5.331 -3.986 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.152 -4.272 -2.591 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.202 -0.439 -3.173 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.582 -1.539 -4.332 1.00 1.00 H new ATOM 0 HD13 ILE A 733 -0.215 -2.099 -2.683 1.00 1.00 H new ATOM 143 N VAL A 734 3.674 -5.320 -6.396 1.00 1.00 N ATOM 144 CA VAL A 734 3.922 -6.581 -7.086 1.00 1.00 C ATOM 145 C VAL A 734 5.150 -7.276 -6.483 1.00 1.00 C ATOM 146 O VAL A 734 5.095 -8.477 -6.195 1.00 1.00 O ATOM 147 CB VAL A 734 3.980 -6.320 -8.602 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.489 -7.524 -9.402 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.556 -5.986 -9.079 1.00 1.00 C ATOM 0 H VAL A 734 3.804 -4.495 -6.982 1.00 1.00 H new ATOM 0 HA VAL A 734 3.107 -7.290 -6.941 1.00 1.00 H new ATOM 0 HB VAL A 734 4.680 -5.502 -8.771 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.506 -7.275 -10.463 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.496 -7.780 -9.073 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.827 -8.375 -9.240 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.567 -5.796 -10.152 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.895 -6.826 -8.866 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.196 -5.099 -8.557 1.00 1.00 H new ATOM 159 N GLU A 735 6.226 -6.532 -6.216 1.00 1.00 N ATOM 160 CA GLU A 735 7.416 -7.059 -5.552 1.00 1.00 C ATOM 161 C GLU A 735 6.999 -7.664 -4.203 1.00 1.00 C ATOM 162 O GLU A 735 7.314 -8.812 -3.894 1.00 1.00 O ATOM 163 CB GLU A 735 8.450 -5.923 -5.409 1.00 1.00 C ATOM 164 CG GLU A 735 9.906 -6.400 -5.374 1.00 1.00 C ATOM 165 CD GLU A 735 10.207 -7.359 -4.223 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.157 -6.929 -3.047 1.00 1.00 O ATOM 167 OE2 GLU A 735 10.522 -8.534 -4.520 1.00 1.00 O ATOM 0 H GLU A 735 6.295 -5.543 -6.456 1.00 1.00 H new ATOM 0 HA GLU A 735 7.885 -7.852 -6.134 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.327 -5.228 -6.240 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.239 -5.368 -4.495 1.00 1.00 H new ATOM 0 HG2 GLU A 735 10.141 -6.893 -6.317 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.562 -5.533 -5.295 1.00 1.00 H new ATOM 174 N PHE A 736 6.193 -6.924 -3.440 1.00 1.00 N ATOM 175 CA PHE A 736 5.640 -7.351 -2.164 1.00 1.00 C ATOM 176 C PHE A 736 4.691 -8.550 -2.311 1.00 1.00 C ATOM 177 O PHE A 736 4.654 -9.393 -1.418 1.00 1.00 O ATOM 178 CB PHE A 736 4.996 -6.114 -1.535 1.00 1.00 C ATOM 179 CG PHE A 736 4.297 -6.267 -0.200 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.963 -6.816 0.915 1.00 1.00 C ATOM 181 CD2 PHE A 736 2.987 -5.767 -0.055 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.289 -6.903 2.144 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.324 -5.837 1.180 1.00 1.00 C ATOM 184 CZ PHE A 736 2.969 -6.443 2.267 1.00 1.00 C ATOM 0 H PHE A 736 5.901 -5.983 -3.705 1.00 1.00 H new ATOM 0 HA PHE A 736 6.417 -7.731 -1.501 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.773 -5.358 -1.419 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.271 -5.719 -2.246 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.981 -7.166 0.825 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.488 -5.325 -0.904 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.791 -7.327 3.001 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.330 -5.429 1.291 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.447 -6.557 3.205 1.00 1.00 H new ATOM 194 N MET A 737 3.958 -8.683 -3.419 1.00 1.00 N ATOM 195 CA MET A 737 3.108 -9.835 -3.712 1.00 1.00 C ATOM 196 C MET A 737 3.955 -11.077 -3.972 1.00 1.00 C ATOM 197 O MET A 737 3.480 -12.182 -3.699 1.00 1.00 O ATOM 198 CB MET A 737 2.164 -9.559 -4.897 1.00 1.00 C ATOM 199 CG MET A 737 0.957 -8.686 -4.530 1.00 1.00 C ATOM 200 SD MET A 737 -0.165 -9.359 -3.274 1.00 1.00 S ATOM 201 CE MET A 737 -0.699 -10.882 -4.088 1.00 1.00 C ATOM 0 H MET A 737 3.940 -7.975 -4.153 1.00 1.00 H new ATOM 0 HA MET A 737 2.487 -10.017 -2.835 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.727 -9.071 -5.693 1.00 1.00 H new ATOM 0 HB3 MET A 737 1.807 -10.509 -5.295 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.325 -7.722 -4.179 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.382 -8.497 -5.437 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.535 -11.314 -3.539 1.00 1.00 H new ATOM 0 HE2 MET A 737 -1.011 -10.659 -5.108 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.127 -11.592 -4.109 1.00 1.00 H new ATOM 211 N ALA A 738 5.166 -10.939 -4.522 1.00 1.00 N ATOM 212 CA ALA A 738 6.065 -12.081 -4.682 1.00 1.00 C ATOM 213 C ALA A 738 6.725 -12.396 -3.342 1.00 1.00 C ATOM 214 O ALA A 738 6.596 -13.511 -2.843 1.00 1.00 O ATOM 215 CB ALA A 738 7.136 -11.816 -5.740 1.00 1.00 C ATOM 0 H ALA A 738 5.542 -10.053 -4.861 1.00 1.00 H new ATOM 0 HA ALA A 738 5.475 -12.933 -5.018 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.784 -12.688 -5.829 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.658 -11.620 -6.700 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.731 -10.951 -5.447 1.00 1.00 H new ATOM 221 N SER A 739 7.448 -11.431 -2.769 1.00 1.00 N ATOM 222 CA SER A 739 8.221 -11.611 -1.545 1.00 1.00 C ATOM 223 C SER A 739 7.324 -11.993 -0.355 1.00 1.00 C ATOM 224 O SER A 739 7.787 -12.649 0.581 1.00 1.00 O ATOM 225 CB SER A 739 9.039 -10.336 -1.306 1.00 1.00 C ATOM 226 OG SER A 739 10.000 -10.518 -0.282 1.00 1.00 O ATOM 0 H SER A 739 7.512 -10.488 -3.152 1.00 1.00 H new ATOM 0 HA SER A 739 8.909 -12.450 -1.652 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.541 -10.046 -2.229 1.00 1.00 H new ATOM 0 HB3 SER A 739 8.370 -9.519 -1.037 1.00 1.00 H new ATOM 0 HG SER A 739 10.505 -9.688 -0.156 1.00 1.00 H new ATOM 232 N LYS A 740 6.050 -11.583 -0.381 1.00 1.00 N ATOM 233 CA LYS A 740 4.975 -11.902 0.557 1.00 1.00 C ATOM 234 C LYS A 740 5.348 -11.847 2.034 1.00 1.00 C ATOM 235 O LYS A 740 4.797 -12.610 2.823 1.00 1.00 O ATOM 236 CB LYS A 740 4.272 -13.205 0.125 1.00 1.00 C ATOM 237 CG LYS A 740 5.161 -14.454 0.273 1.00 1.00 C ATOM 238 CD LYS A 740 4.409 -15.774 0.103 1.00 1.00 C ATOM 239 CE LYS A 740 4.190 -16.169 -1.357 1.00 1.00 C ATOM 240 NZ LYS A 740 3.105 -15.405 -1.984 1.00 1.00 N ATOM 0 H LYS A 740 5.720 -10.967 -1.124 1.00 1.00 H new ATOM 0 HA LYS A 740 4.253 -11.088 0.492 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.369 -13.337 0.721 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.957 -13.113 -0.914 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.963 -14.407 -0.464 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.631 -14.439 1.256 1.00 1.00 H new ATOM 0 HD2 LYS A 740 4.964 -16.566 0.606 1.00 1.00 H new ATOM 0 HD3 LYS A 740 3.442 -15.698 0.599 1.00 1.00 H new ATOM 0 HE2 LYS A 740 5.112 -16.011 -1.916 1.00 1.00 H new ATOM 0 HE3 LYS A 740 3.961 -17.233 -1.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 2.620 -16.002 -2.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 2.426 -15.104 -1.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 3.499 -14.567 -2.458 1.00 1.00 H new ATOM 253 N LYS A 741 6.234 -10.921 2.414 1.00 1.00 N ATOM 254 CA LYS A 741 6.775 -10.814 3.758 1.00 1.00 C ATOM 255 C LYS A 741 5.693 -10.712 4.826 1.00 1.00 C ATOM 256 O LYS A 741 5.309 -11.733 5.374 1.00 1.00 O ATOM 257 CB LYS A 741 7.756 -9.642 3.768 1.00 1.00 C ATOM 258 CG LYS A 741 9.070 -10.008 3.069 1.00 1.00 C ATOM 259 CD LYS A 741 9.864 -11.147 3.727 1.00 1.00 C ATOM 260 CE LYS A 741 11.263 -11.243 3.114 1.00 1.00 C ATOM 261 NZ LYS A 741 11.961 -12.467 3.554 1.00 1.00 N ATOM 0 H LYS A 741 6.598 -10.213 1.776 1.00 1.00 H new ATOM 0 HA LYS A 741 7.306 -11.729 4.020 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.305 -8.783 3.271 1.00 1.00 H new ATOM 0 HB3 LYS A 741 7.960 -9.345 4.797 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.850 -10.288 2.039 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.702 -9.121 3.030 1.00 1.00 H new ATOM 0 HD2 LYS A 741 9.941 -10.973 4.800 1.00 1.00 H new ATOM 0 HD3 LYS A 741 9.336 -12.091 3.594 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.187 -11.237 2.027 1.00 1.00 H new ATOM 0 HE3 LYS A 741 11.847 -10.367 3.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 12.906 -12.502 3.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 12.055 -12.460 4.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 11.415 -13.302 3.261 1.00 1.00 H new ATOM 274 N MET A 742 5.130 -9.529 5.068 1.00 1.00 N ATOM 275 CA MET A 742 4.038 -9.335 6.021 1.00 1.00 C ATOM 276 C MET A 742 3.350 -8.007 5.781 1.00 1.00 C ATOM 277 O MET A 742 2.132 -7.992 5.626 1.00 1.00 O ATOM 278 CB MET A 742 4.494 -9.378 7.500 1.00 1.00 C ATOM 279 CG MET A 742 4.667 -10.774 8.109 1.00 1.00 C ATOM 280 SD MET A 742 3.182 -11.823 7.999 1.00 1.00 S ATOM 281 CE MET A 742 3.909 -13.473 7.798 1.00 1.00 C ATOM 0 H MET A 742 5.422 -8.669 4.603 1.00 1.00 H new ATOM 0 HA MET A 742 3.355 -10.168 5.852 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.442 -8.847 7.583 1.00 1.00 H new ATOM 0 HB3 MET A 742 3.768 -8.829 8.100 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.493 -11.278 7.607 1.00 1.00 H new ATOM 0 HG3 MET A 742 4.948 -10.669 9.157 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.162 -14.231 8.035 1.00 1.00 H new ATOM 0 HE2 MET A 742 4.241 -13.601 6.768 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.761 -13.580 8.470 1.00 1.00 H new ATOM 291 N GLN A 743 4.108 -6.909 5.732 1.00 1.00 N ATOM 292 CA GLN A 743 3.579 -5.555 5.624 1.00 1.00 C ATOM 293 C GLN A 743 4.491 -4.665 4.788 1.00 1.00 C ATOM 294 O GLN A 743 5.660 -5.010 4.592 1.00 1.00 O ATOM 295 CB GLN A 743 3.425 -4.993 7.051 1.00 1.00 C ATOM 296 CG GLN A 743 4.734 -4.941 7.874 1.00 1.00 C ATOM 297 CD GLN A 743 5.673 -3.819 7.435 1.00 1.00 C ATOM 298 OE1 GLN A 743 5.255 -2.674 7.334 1.00 1.00 O ATOM 299 NE2 GLN A 743 6.949 -4.069 7.210 1.00 1.00 N ATOM 0 H GLN A 743 5.127 -6.941 5.767 1.00 1.00 H new ATOM 0 HA GLN A 743 2.614 -5.577 5.118 1.00 1.00 H new ATOM 0 HB2 GLN A 743 3.013 -3.986 6.987 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.698 -5.601 7.589 1.00 1.00 H new ATOM 0 HG2 GLN A 743 4.489 -4.810 8.928 1.00 1.00 H new ATOM 0 HG3 GLN A 743 5.251 -5.896 7.783 1.00 1.00 H new ATOM 0 HE21 GLN A 743 7.304 -5.022 7.292 1.00 1.00 H new ATOM 0 HE22 GLN A 743 7.580 -3.310 6.954 1.00 1.00 H new ATOM 308 N LEU A 744 3.959 -3.558 4.275 1.00 1.00 N ATOM 309 CA LEU A 744 4.671 -2.520 3.556 1.00 1.00 C ATOM 310 C LEU A 744 3.949 -1.218 3.920 1.00 1.00 C ATOM 311 O LEU A 744 2.738 -1.110 3.703 1.00 1.00 O ATOM 312 CB LEU A 744 4.642 -2.812 2.051 1.00 1.00 C ATOM 313 CG LEU A 744 5.758 -2.097 1.264 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.682 -2.492 -0.212 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.787 -0.570 1.389 1.00 1.00 C ATOM 0 H LEU A 744 2.963 -3.356 4.358 1.00 1.00 H new ATOM 0 HA LEU A 744 5.726 -2.459 3.823 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.731 -3.887 1.896 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.675 -2.511 1.649 1.00 1.00 H new ATOM 0 HG LEU A 744 6.687 -2.435 1.723 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.472 -1.985 -0.766 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.807 -3.571 -0.307 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.712 -2.202 -0.617 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.610 -0.172 0.796 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.846 -0.157 1.026 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.926 -0.293 2.434 1.00 1.00 H new ATOM 327 N GLU A 745 4.651 -0.236 4.479 1.00 1.00 N ATOM 328 CA GLU A 745 4.114 1.069 4.793 1.00 1.00 C ATOM 329 C GLU A 745 4.407 2.000 3.611 1.00 1.00 C ATOM 330 O GLU A 745 5.575 2.249 3.291 1.00 1.00 O ATOM 331 CB GLU A 745 4.833 1.573 6.047 1.00 1.00 C ATOM 332 CG GLU A 745 4.419 0.866 7.345 1.00 1.00 C ATOM 333 CD GLU A 745 5.298 1.330 8.511 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.163 2.488 8.959 1.00 1.00 O ATOM 335 OE2 GLU A 745 6.182 0.561 8.955 1.00 1.00 O ATOM 0 H GLU A 745 5.635 -0.337 4.730 1.00 1.00 H new ATOM 0 HA GLU A 745 3.039 1.034 4.969 1.00 1.00 H new ATOM 0 HB2 GLU A 745 5.907 1.451 5.908 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.645 2.641 6.154 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.372 1.078 7.564 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.507 -0.214 7.222 1.00 1.00 H new ATOM 342 N PHE A 746 3.371 2.568 3.001 1.00 1.00 N ATOM 343 CA PHE A 746 3.448 3.558 1.936 1.00 1.00 C ATOM 344 C PHE A 746 3.386 4.909 2.690 1.00 1.00 C ATOM 345 O PHE A 746 2.464 5.135 3.485 1.00 1.00 O ATOM 346 CB PHE A 746 2.348 3.318 0.884 1.00 1.00 C ATOM 347 CG PHE A 746 2.681 2.233 -0.130 1.00 1.00 C ATOM 348 CD1 PHE A 746 2.494 0.872 0.178 1.00 1.00 C ATOM 349 CD2 PHE A 746 3.200 2.583 -1.394 1.00 1.00 C ATOM 350 CE1 PHE A 746 2.875 -0.120 -0.741 1.00 1.00 C ATOM 351 CE2 PHE A 746 3.614 1.591 -2.297 1.00 1.00 C ATOM 352 CZ PHE A 746 3.471 0.238 -1.961 1.00 1.00 C ATOM 0 H PHE A 746 2.409 2.338 3.249 1.00 1.00 H new ATOM 0 HA PHE A 746 4.355 3.517 1.334 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.424 3.050 1.396 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.159 4.251 0.353 1.00 1.00 H new ATOM 0 HD1 PHE A 746 2.056 0.590 1.124 1.00 1.00 H new ATOM 0 HD2 PHE A 746 3.280 3.624 -1.670 1.00 1.00 H new ATOM 0 HE1 PHE A 746 2.709 -1.161 -0.508 1.00 1.00 H new ATOM 0 HE2 PHE A 746 4.042 1.870 -3.249 1.00 1.00 H new ATOM 0 HZ PHE A 746 3.818 -0.528 -2.639 1.00 1.00 H new ATOM 362 N PRO A 747 4.370 5.800 2.448 1.00 1.00 N ATOM 363 CA PRO A 747 4.565 7.068 3.152 1.00 1.00 C ATOM 364 C PRO A 747 3.431 8.103 3.238 1.00 1.00 C ATOM 365 O PRO A 747 2.485 8.098 2.458 1.00 1.00 O ATOM 366 CB PRO A 747 5.829 7.692 2.540 1.00 1.00 C ATOM 367 CG PRO A 747 5.910 7.085 1.149 1.00 1.00 C ATOM 368 CD PRO A 747 5.349 5.688 1.372 1.00 1.00 C ATOM 0 HA PRO A 747 4.627 6.796 4.206 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.755 8.779 2.496 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.715 7.456 3.130 1.00 1.00 H new ATOM 0 HG2 PRO A 747 5.322 7.649 0.424 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.934 7.057 0.776 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.884 5.307 0.463 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.142 4.990 1.641 1.00 1.00 H new ATOM 376 N PRO A 748 3.575 9.078 4.158 1.00 1.00 N ATOM 377 CA PRO A 748 2.667 10.210 4.315 1.00 1.00 C ATOM 378 C PRO A 748 2.569 11.105 3.071 1.00 1.00 C ATOM 379 O PRO A 748 1.625 11.881 2.957 1.00 1.00 O ATOM 380 CB PRO A 748 3.229 11.037 5.478 1.00 1.00 C ATOM 381 CG PRO A 748 4.139 10.097 6.245 1.00 1.00 C ATOM 382 CD PRO A 748 4.608 9.115 5.187 1.00 1.00 C ATOM 0 HA PRO A 748 1.659 9.832 4.489 1.00 1.00 H new ATOM 0 HB2 PRO A 748 3.779 11.904 5.112 1.00 1.00 H new ATOM 0 HB3 PRO A 748 2.428 11.413 6.114 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.976 10.629 6.698 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.607 9.593 7.052 1.00 1.00 H new ATOM 0 HD2 PRO A 748 5.563 9.428 4.765 1.00 1.00 H new ATOM 0 HD3 PRO A 748 4.760 8.125 5.618 1.00 1.00 H new ATOM 390 N SER A 749 3.585 11.101 2.206 1.00 1.00 N ATOM 391 CA SER A 749 3.723 11.964 1.029 1.00 1.00 C ATOM 392 C SER A 749 2.555 11.949 0.033 1.00 1.00 C ATOM 393 O SER A 749 2.430 12.880 -0.762 1.00 1.00 O ATOM 394 CB SER A 749 4.961 11.511 0.244 1.00 1.00 C ATOM 395 OG SER A 749 6.050 11.148 1.077 1.00 1.00 O ATOM 0 H SER A 749 4.374 10.464 2.312 1.00 1.00 H new ATOM 0 HA SER A 749 3.777 12.975 1.433 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.694 10.661 -0.384 1.00 1.00 H new ATOM 0 HB3 SER A 749 5.274 12.314 -0.423 1.00 1.00 H new ATOM 0 HG SER A 749 6.807 10.867 0.522 1.00 1.00 H new ATOM 401 N LEU A 750 1.733 10.901 0.031 1.00 1.00 N ATOM 402 CA LEU A 750 0.668 10.722 -0.946 1.00 1.00 C ATOM 403 C LEU A 750 -0.422 11.787 -0.846 1.00 1.00 C ATOM 404 O LEU A 750 -0.817 12.177 0.254 1.00 1.00 O ATOM 405 CB LEU A 750 0.112 9.299 -0.792 1.00 1.00 C ATOM 406 CG LEU A 750 0.995 8.167 -1.382 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.203 8.599 -2.223 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.531 7.192 -0.336 1.00 1.00 C ATOM 0 H LEU A 750 1.791 10.147 0.715 1.00 1.00 H new ATOM 0 HA LEU A 750 1.080 10.849 -1.947 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.041 9.101 0.269 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.867 9.257 -1.268 1.00 1.00 H new ATOM 0 HG LEU A 750 0.268 7.692 -2.041 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.736 7.716 -2.575 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.861 9.182 -3.078 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.872 9.207 -1.614 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.138 6.431 -0.826 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.141 7.733 0.387 1.00 1.00 H new ATOM 0 HD23 LEU A 750 0.697 6.715 0.178 1.00 1.00 H new ATOM 420 N ASN A 751 -0.923 12.238 -2.003 1.00 1.00 N ATOM 421 CA ASN A 751 -1.900 13.322 -2.084 1.00 1.00 C ATOM 422 C ASN A 751 -3.315 12.762 -1.997 1.00 1.00 C ATOM 423 O ASN A 751 -3.989 12.963 -0.988 1.00 1.00 O ATOM 424 CB ASN A 751 -1.695 14.167 -3.346 1.00 1.00 C ATOM 425 CG ASN A 751 -0.555 15.159 -3.189 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.530 14.965 -3.733 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.764 16.230 -2.449 1.00 1.00 N ATOM 0 H ASN A 751 -0.658 11.857 -2.911 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.749 13.988 -1.235 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.490 13.511 -4.192 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.615 14.705 -3.575 1.00 1.00 H new ATOM 0 HD21 ASN A 751 -0.019 16.914 -2.320 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -1.671 16.374 -2.005 1.00 1.00 H new ATOM 434 N SER A 752 -3.800 12.068 -3.032 1.00 1.00 N ATOM 435 CA SER A 752 -5.106 11.408 -2.996 1.00 1.00 C ATOM 436 C SER A 752 -5.081 10.114 -3.812 1.00 1.00 C ATOM 437 O SER A 752 -5.164 9.019 -3.248 1.00 1.00 O ATOM 438 CB SER A 752 -6.210 12.364 -3.490 1.00 1.00 C ATOM 439 OG SER A 752 -6.127 13.642 -2.877 1.00 1.00 O ATOM 0 H SER A 752 -3.300 11.949 -3.913 1.00 1.00 H new ATOM 0 HA SER A 752 -5.332 11.143 -1.963 1.00 1.00 H new ATOM 0 HB2 SER A 752 -6.134 12.476 -4.572 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.187 11.926 -3.283 1.00 1.00 H new ATOM 0 HG SER A 752 -6.844 14.216 -3.219 1.00 1.00 H new ATOM 445 N HIS A 753 -4.914 10.233 -5.133 1.00 1.00 N ATOM 446 CA HIS A 753 -4.964 9.136 -6.092 1.00 1.00 C ATOM 447 C HIS A 753 -3.889 8.094 -5.812 1.00 1.00 C ATOM 448 O HIS A 753 -4.108 6.912 -6.041 1.00 1.00 O ATOM 449 CB HIS A 753 -4.838 9.661 -7.524 1.00 1.00 C ATOM 450 CG HIS A 753 -5.872 10.707 -7.844 1.00 1.00 C ATOM 451 ND1 HIS A 753 -5.620 12.039 -8.070 1.00 1.00 N ATOM 452 CD2 HIS A 753 -7.227 10.521 -7.883 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.801 12.654 -8.233 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.813 11.769 -8.129 1.00 1.00 N ATOM 0 H HIS A 753 -4.733 11.134 -5.576 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.934 8.651 -5.981 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.843 10.082 -7.668 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.937 8.830 -8.223 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -7.748 9.585 -7.749 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -6.924 13.710 -8.421 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -8.810 11.969 -8.213 1.00 1.00 H new ATOM 462 N ASP A 754 -2.730 8.525 -5.321 1.00 1.00 N ATOM 463 CA ASP A 754 -1.582 7.695 -5.015 1.00 1.00 C ATOM 464 C ASP A 754 -1.981 6.620 -3.994 1.00 1.00 C ATOM 465 O ASP A 754 -1.873 5.413 -4.243 1.00 1.00 O ATOM 466 CB ASP A 754 -0.488 8.610 -4.447 1.00 1.00 C ATOM 467 CG ASP A 754 -0.250 9.908 -5.208 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.948 10.885 -4.855 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.599 9.945 -6.125 1.00 1.00 O ATOM 0 H ASP A 754 -2.564 9.511 -5.118 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.215 7.188 -5.907 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.745 8.856 -3.417 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.447 8.051 -4.417 1.00 1.00 H new ATOM 474 N ARG A 755 -2.477 7.077 -2.839 1.00 1.00 N ATOM 475 CA ARG A 755 -2.981 6.251 -1.749 1.00 1.00 C ATOM 476 C ARG A 755 -4.182 5.437 -2.224 1.00 1.00 C ATOM 477 O ARG A 755 -4.257 4.251 -1.918 1.00 1.00 O ATOM 478 CB ARG A 755 -3.291 7.170 -0.546 1.00 1.00 C ATOM 479 CG ARG A 755 -4.077 6.486 0.580 1.00 1.00 C ATOM 480 CD ARG A 755 -4.281 7.421 1.781 1.00 1.00 C ATOM 481 NE ARG A 755 -5.444 7.015 2.595 1.00 1.00 N ATOM 482 CZ ARG A 755 -6.167 7.851 3.358 1.00 1.00 C ATOM 483 NH1 ARG A 755 -5.722 9.067 3.642 1.00 1.00 N ATOM 484 NH2 ARG A 755 -7.350 7.480 3.835 1.00 1.00 N ATOM 0 H ARG A 755 -2.538 8.074 -2.635 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.238 5.523 -1.424 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.353 7.549 -0.141 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.858 8.032 -0.898 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.047 6.163 0.202 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -3.546 5.590 0.902 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.384 7.419 2.401 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -4.422 8.442 1.428 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.717 6.032 2.577 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -4.820 9.378 3.280 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -6.281 9.692 4.223 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -7.717 6.552 3.623 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -7.891 8.123 4.414 1.00 1.00 H new ATOM 498 N LEU A 756 -5.101 6.044 -2.981 1.00 1.00 N ATOM 499 CA LEU A 756 -6.263 5.365 -3.558 1.00 1.00 C ATOM 500 C LEU A 756 -5.818 4.162 -4.377 1.00 1.00 C ATOM 501 O LEU A 756 -6.358 3.072 -4.206 1.00 1.00 O ATOM 502 CB LEU A 756 -7.131 6.359 -4.328 1.00 1.00 C ATOM 503 CG LEU A 756 -8.115 5.786 -5.375 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.296 6.747 -5.518 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.491 5.640 -6.774 1.00 1.00 C ATOM 0 H LEU A 756 -5.057 7.036 -3.213 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.897 4.969 -2.765 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.708 6.934 -3.603 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.469 7.060 -4.837 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.409 4.799 -5.019 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -9.998 6.354 -6.254 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -9.799 6.851 -4.557 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -8.934 7.722 -5.846 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.232 5.233 -7.462 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.163 6.617 -7.130 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -6.636 4.967 -6.722 1.00 1.00 H new ATOM 517 N ARG A 757 -4.818 4.327 -5.244 1.00 1.00 N ATOM 518 CA ARG A 757 -4.352 3.226 -6.066 1.00 1.00 C ATOM 519 C ARG A 757 -3.719 2.166 -5.171 1.00 1.00 C ATOM 520 O ARG A 757 -4.006 0.995 -5.386 1.00 1.00 O ATOM 521 CB ARG A 757 -3.439 3.728 -7.187 1.00 1.00 C ATOM 522 CG ARG A 757 -3.335 2.725 -8.347 1.00 1.00 C ATOM 523 CD ARG A 757 -4.547 2.671 -9.292 1.00 1.00 C ATOM 524 NE ARG A 757 -4.488 1.473 -10.161 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.267 0.379 -10.081 1.00 1.00 C ATOM 526 NH1 ARG A 757 -6.293 0.325 -9.243 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.012 -0.686 -10.834 1.00 1.00 N ATOM 0 H ARG A 757 -4.323 5.207 -5.390 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.190 2.751 -6.577 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.818 4.678 -7.564 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.444 3.919 -6.784 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.450 2.968 -8.935 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.178 1.730 -7.930 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.468 2.657 -8.708 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.574 3.570 -9.907 1.00 1.00 H new ATOM 0 HE ARG A 757 -3.782 1.478 -10.898 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -6.504 1.123 -8.643 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -6.871 -0.514 -9.198 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -4.221 -0.678 -11.478 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.607 -1.512 -10.768 1.00 1.00 H new ATOM 541 N VAL A 758 -2.916 2.535 -4.165 1.00 1.00 N ATOM 542 CA VAL A 758 -2.381 1.539 -3.225 1.00 1.00 C ATOM 543 C VAL A 758 -3.517 0.717 -2.601 1.00 1.00 C ATOM 544 O VAL A 758 -3.431 -0.511 -2.629 1.00 1.00 O ATOM 545 CB VAL A 758 -1.475 2.190 -2.152 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.092 1.260 -0.990 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.175 2.661 -2.808 1.00 1.00 C ATOM 0 H VAL A 758 -2.626 3.496 -3.982 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.748 0.853 -3.787 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.061 3.009 -1.735 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.457 1.799 -0.287 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.995 0.924 -0.480 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.552 0.396 -1.378 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.466 3.120 -2.056 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.339 1.808 -3.251 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.403 3.391 -3.585 1.00 1.00 H new ATOM 557 N HIS A 759 -4.569 1.361 -2.076 1.00 1.00 N ATOM 558 CA HIS A 759 -5.725 0.665 -1.513 1.00 1.00 C ATOM 559 C HIS A 759 -6.300 -0.317 -2.533 1.00 1.00 C ATOM 560 O HIS A 759 -6.469 -1.494 -2.230 1.00 1.00 O ATOM 561 CB HIS A 759 -6.834 1.640 -1.083 1.00 1.00 C ATOM 562 CG HIS A 759 -6.557 2.501 0.124 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.542 2.094 1.435 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.461 3.862 0.130 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.421 3.182 2.213 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.363 4.296 1.461 1.00 1.00 N ATOM 0 H HIS A 759 -4.638 2.378 -2.032 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.375 0.131 -0.630 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.053 2.297 -1.925 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.737 1.061 -0.887 1.00 1.00 H new ATOM 0 HD1 HIS A 759 -6.611 1.130 1.762 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.461 4.498 -0.743 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.376 3.165 3.292 1.00 1.00 H new ATOM 574 N GLN A 760 -6.586 0.163 -3.742 1.00 1.00 N ATOM 575 CA GLN A 760 -7.227 -0.599 -4.794 1.00 1.00 C ATOM 576 C GLN A 760 -6.413 -1.835 -5.163 1.00 1.00 C ATOM 577 O GLN A 760 -6.931 -2.932 -5.027 1.00 1.00 O ATOM 578 CB GLN A 760 -7.420 0.319 -6.007 1.00 1.00 C ATOM 579 CG GLN A 760 -8.587 1.300 -5.846 1.00 1.00 C ATOM 580 CD GLN A 760 -8.697 2.257 -7.033 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.868 2.269 -7.946 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.740 3.065 -7.080 1.00 1.00 N ATOM 0 H GLN A 760 -6.369 1.121 -4.017 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.195 -0.957 -4.445 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.502 0.882 -6.177 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.588 -0.292 -6.893 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.518 0.742 -5.742 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.455 1.874 -4.929 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.426 3.056 -6.326 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.859 3.698 -7.871 1.00 1.00 H new ATOM 591 N ILE A 761 -5.161 -1.689 -5.608 1.00 1.00 N ATOM 592 CA ILE A 761 -4.231 -2.769 -5.903 1.00 1.00 C ATOM 593 C ILE A 761 -4.218 -3.779 -4.754 1.00 1.00 C ATOM 594 O ILE A 761 -4.303 -4.985 -4.976 1.00 1.00 O ATOM 595 CB ILE A 761 -2.851 -2.115 -6.132 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.923 -1.144 -7.327 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.752 -3.169 -6.361 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.636 -0.330 -7.524 1.00 1.00 C ATOM 0 H ILE A 761 -4.755 -0.769 -5.778 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.522 -3.327 -6.793 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.588 -1.560 -5.232 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -3.129 -1.710 -8.235 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.759 -0.460 -7.181 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.796 -2.670 -6.518 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.683 -3.818 -5.488 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.998 -3.766 -7.239 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.753 0.333 -8.381 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.440 0.262 -6.630 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.801 -1.007 -7.701 1.00 1.00 H new ATOM 610 N ALA A 762 -4.109 -3.293 -3.521 1.00 1.00 N ATOM 611 CA ALA A 762 -4.070 -4.158 -2.359 1.00 1.00 C ATOM 612 C ALA A 762 -5.340 -4.997 -2.244 1.00 1.00 C ATOM 613 O ALA A 762 -5.257 -6.205 -2.014 1.00 1.00 O ATOM 614 CB ALA A 762 -3.809 -3.288 -1.127 1.00 1.00 C ATOM 0 H ALA A 762 -4.046 -2.298 -3.306 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.260 -4.882 -2.451 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.775 -3.917 -0.238 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.856 -2.771 -1.242 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.609 -2.555 -1.023 1.00 1.00 H new ATOM 620 N GLU A 763 -6.497 -4.371 -2.428 1.00 1.00 N ATOM 621 CA GLU A 763 -7.780 -5.033 -2.344 1.00 1.00 C ATOM 622 C GLU A 763 -7.965 -6.021 -3.496 1.00 1.00 C ATOM 623 O GLU A 763 -8.541 -7.098 -3.320 1.00 1.00 O ATOM 624 CB GLU A 763 -8.881 -3.966 -2.423 1.00 1.00 C ATOM 625 CG GLU A 763 -10.098 -4.416 -1.622 1.00 1.00 C ATOM 626 CD GLU A 763 -11.239 -3.399 -1.616 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.200 -2.394 -2.366 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.236 -3.651 -0.895 1.00 1.00 O ATOM 0 H GLU A 763 -6.564 -3.376 -2.642 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.833 -5.584 -1.405 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.509 -3.018 -2.034 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.161 -3.796 -3.463 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.464 -5.357 -2.032 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -9.793 -4.613 -0.594 1.00 1.00 H new ATOM 635 N GLU A 764 -7.521 -5.643 -4.690 1.00 1.00 N ATOM 636 CA GLU A 764 -7.537 -6.390 -5.924 1.00 1.00 C ATOM 637 C GLU A 764 -6.632 -7.620 -5.810 1.00 1.00 C ATOM 638 O GLU A 764 -6.879 -8.633 -6.469 1.00 1.00 O ATOM 639 CB GLU A 764 -7.039 -5.419 -7.002 1.00 1.00 C ATOM 640 CG GLU A 764 -7.318 -5.877 -8.425 1.00 1.00 C ATOM 641 CD GLU A 764 -6.097 -5.643 -9.312 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.706 -4.469 -9.520 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.502 -6.636 -9.785 1.00 1.00 O ATOM 0 H GLU A 764 -7.105 -4.721 -4.821 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.532 -6.763 -6.168 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.508 -4.447 -6.846 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.965 -5.278 -6.881 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.579 -6.935 -8.428 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.175 -5.336 -8.826 1.00 1.00 H new ATOM 650 N HIS A 765 -5.602 -7.563 -4.967 1.00 1.00 N ATOM 651 CA HIS A 765 -4.714 -8.657 -4.674 1.00 1.00 C ATOM 652 C HIS A 765 -5.150 -9.316 -3.359 1.00 1.00 C ATOM 653 O HIS A 765 -6.337 -9.376 -3.022 1.00 1.00 O ATOM 654 CB HIS A 765 -3.276 -8.142 -4.720 1.00 1.00 C ATOM 655 CG HIS A 765 -2.892 -7.627 -6.082 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.370 -8.034 -7.310 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.072 -6.564 -6.294 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.867 -7.192 -8.227 1.00 1.00 C ATOM 659 NE2 HIS A 765 -2.043 -6.292 -7.664 1.00 1.00 N ATOM 0 H HIS A 765 -5.365 -6.713 -4.455 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.761 -9.453 -5.417 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.155 -7.345 -3.986 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.596 -8.945 -4.434 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -3.989 -8.825 -7.488 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.533 -6.021 -5.532 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -3.095 -7.233 -9.282 1.00 1.00 H new ATOM 667 N GLY A 766 -4.185 -9.866 -2.632 1.00 1.00 N ATOM 668 CA GLY A 766 -4.331 -10.621 -1.415 1.00 1.00 C ATOM 669 C GLY A 766 -3.869 -9.834 -0.202 1.00 1.00 C ATOM 670 O GLY A 766 -3.144 -10.386 0.640 1.00 1.00 O ATOM 0 H GLY A 766 -3.207 -9.783 -2.909 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.376 -10.905 -1.287 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -3.756 -11.544 -1.489 1.00 1.00 H new ATOM 674 N LEU A 767 -4.242 -8.549 -0.124 1.00 1.00 N ATOM 675 CA LEU A 767 -3.770 -7.675 0.931 1.00 1.00 C ATOM 676 C LEU A 767 -4.920 -7.024 1.680 1.00 1.00 C ATOM 677 O LEU A 767 -6.065 -7.000 1.226 1.00 1.00 O ATOM 678 CB LEU A 767 -2.922 -6.523 0.355 1.00 1.00 C ATOM 679 CG LEU A 767 -1.845 -6.842 -0.684 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.982 -5.630 -1.020 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.867 -7.866 -0.148 1.00 1.00 C ATOM 0 H LEU A 767 -4.873 -8.101 -0.788 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.184 -8.305 1.600 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.607 -5.802 -0.092 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.434 -6.023 1.192 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.392 -7.194 -1.559 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.234 -5.910 -1.762 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.611 -4.836 -1.422 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.483 -5.277 -0.117 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.111 -8.077 -0.904 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.385 -7.475 0.748 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.400 -8.784 0.098 1.00 1.00 H new ATOM 693 N ARG A 768 -4.582 -6.447 2.828 1.00 1.00 N ATOM 694 CA ARG A 768 -5.452 -5.655 3.675 1.00 1.00 C ATOM 695 C ARG A 768 -4.800 -4.295 3.649 1.00 1.00 C ATOM 696 O ARG A 768 -3.652 -4.183 4.078 1.00 1.00 O ATOM 697 CB ARG A 768 -5.500 -6.205 5.108 1.00 1.00 C ATOM 698 CG ARG A 768 -6.400 -5.329 5.994 1.00 1.00 C ATOM 699 CD ARG A 768 -6.642 -5.962 7.371 1.00 1.00 C ATOM 700 NE ARG A 768 -6.478 -4.996 8.469 1.00 1.00 N ATOM 701 CZ ARG A 768 -7.351 -4.053 8.850 1.00 1.00 C ATOM 702 NH1 ARG A 768 -8.510 -3.890 8.217 1.00 1.00 N ATOM 703 NH2 ARG A 768 -7.058 -3.249 9.864 1.00 1.00 N ATOM 0 H ARG A 768 -3.639 -6.527 3.210 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.487 -5.652 3.332 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.876 -7.228 5.098 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.493 -6.239 5.524 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.940 -4.349 6.121 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.356 -5.170 5.495 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -7.649 -6.379 7.405 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -5.949 -6.791 7.514 1.00 1.00 H new ATOM 0 HE ARG A 768 -5.607 -5.050 8.997 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -8.748 -4.489 7.426 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -9.161 -3.166 8.523 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -6.169 -3.349 10.353 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -7.722 -2.531 10.154 1.00 1.00 H new ATOM 717 N HIS A 769 -5.459 -3.304 3.067 1.00 1.00 N ATOM 718 CA HIS A 769 -4.968 -1.941 3.089 1.00 1.00 C ATOM 719 C HIS A 769 -5.607 -1.258 4.286 1.00 1.00 C ATOM 720 O HIS A 769 -6.780 -1.501 4.594 1.00 1.00 O ATOM 721 CB HIS A 769 -5.362 -1.207 1.805 1.00 1.00 C ATOM 722 CG HIS A 769 -6.819 -1.366 1.427 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.892 -0.641 1.914 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.320 -2.344 0.611 1.00 1.00 C ATOM 725 CE1 HIS A 769 -9.005 -1.138 1.351 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.708 -2.191 0.574 1.00 1.00 N ATOM 0 H HIS A 769 -6.342 -3.424 2.571 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.880 -1.929 3.160 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.142 -0.146 1.923 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.743 -1.572 0.986 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.846 0.131 2.580 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.747 -3.097 0.091 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -10.000 -0.745 1.502 1.00 1.00 H new ATOM 734 N ASP A 770 -4.865 -0.389 4.956 1.00 1.00 N ATOM 735 CA ASP A 770 -5.405 0.403 6.040 1.00 1.00 C ATOM 736 C ASP A 770 -4.564 1.651 6.272 1.00 1.00 C ATOM 737 O ASP A 770 -3.504 1.812 5.673 1.00 1.00 O ATOM 738 CB ASP A 770 -5.497 -0.445 7.318 1.00 1.00 C ATOM 739 CG ASP A 770 -6.465 0.187 8.309 1.00 1.00 C ATOM 740 OD1 ASP A 770 -7.426 0.848 7.853 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.297 0.012 9.533 1.00 1.00 O ATOM 0 H ASP A 770 -3.879 -0.217 4.762 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.409 0.727 5.767 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.829 -1.453 7.069 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.510 -0.537 7.772 1.00 1.00 H new ATOM 746 N SER A 771 -5.007 2.541 7.152 1.00 1.00 N ATOM 747 CA SER A 771 -4.243 3.723 7.501 1.00 1.00 C ATOM 748 C SER A 771 -3.405 3.428 8.735 1.00 1.00 C ATOM 749 O SER A 771 -3.660 2.471 9.472 1.00 1.00 O ATOM 750 CB SER A 771 -5.201 4.862 7.796 1.00 1.00 C ATOM 751 OG SER A 771 -6.041 5.079 6.672 1.00 1.00 O ATOM 0 H SER A 771 -5.900 2.461 7.638 1.00 1.00 H new ATOM 0 HA SER A 771 -3.588 4.002 6.675 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.804 4.626 8.673 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.643 5.770 8.027 1.00 1.00 H new ATOM 0 HG SER A 771 -6.661 5.814 6.864 1.00 1.00 H new ATOM 757 N SER A 772 -2.357 4.205 8.944 1.00 1.00 N ATOM 758 CA SER A 772 -1.505 4.122 10.120 1.00 1.00 C ATOM 759 C SER A 772 -0.990 5.514 10.484 1.00 1.00 C ATOM 760 O SER A 772 -1.113 6.447 9.684 1.00 1.00 O ATOM 761 CB SER A 772 -0.392 3.114 9.832 1.00 1.00 C ATOM 762 OG SER A 772 -0.958 1.821 9.668 1.00 1.00 O ATOM 0 H SER A 772 -2.067 4.929 8.286 1.00 1.00 H new ATOM 0 HA SER A 772 -2.055 3.767 10.991 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.151 3.402 8.932 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.328 3.107 10.650 1.00 1.00 H new ATOM 0 HG SER A 772 -1.934 1.881 9.730 1.00 1.00 H new ATOM 768 N GLY A 773 -0.435 5.644 11.688 1.00 1.00 N ATOM 769 CA GLY A 773 0.099 6.881 12.233 1.00 1.00 C ATOM 770 C GLY A 773 -0.582 7.209 13.555 1.00 1.00 C ATOM 771 O GLY A 773 -1.528 6.526 13.957 1.00 1.00 O ATOM 0 H GLY A 773 -0.344 4.858 12.331 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.175 6.787 12.383 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.054 7.695 11.525 1.00 1.00 H new ATOM 775 N GLU A 774 -0.098 8.230 14.255 1.00 1.00 N ATOM 776 CA GLU A 774 -0.711 8.740 15.481 1.00 1.00 C ATOM 777 C GLU A 774 -0.929 10.237 15.300 1.00 1.00 C ATOM 778 O GLU A 774 -2.060 10.720 15.208 1.00 1.00 O ATOM 779 CB GLU A 774 0.167 8.408 16.701 1.00 1.00 C ATOM 780 CG GLU A 774 -0.401 8.924 18.028 1.00 1.00 C ATOM 781 CD GLU A 774 -1.576 8.078 18.515 1.00 1.00 C ATOM 782 OE1 GLU A 774 -2.649 8.099 17.872 1.00 1.00 O ATOM 783 OE2 GLU A 774 -1.407 7.373 19.539 1.00 1.00 O ATOM 0 H GLU A 774 0.745 8.736 13.984 1.00 1.00 H new ATOM 0 HA GLU A 774 -1.674 8.264 15.668 1.00 1.00 H new ATOM 0 HB2 GLU A 774 0.291 7.327 16.765 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.159 8.834 16.550 1.00 1.00 H new ATOM 0 HG2 GLU A 774 0.385 8.923 18.784 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -0.724 9.958 17.906 1.00 1.00 H new ATOM 790 N GLY A 775 0.182 10.964 15.204 1.00 1.00 N ATOM 791 CA GLY A 775 0.215 12.405 15.096 1.00 1.00 C ATOM 792 C GLY A 775 0.338 12.829 13.643 1.00 1.00 C ATOM 793 O GLY A 775 -0.290 12.253 12.749 1.00 1.00 O ATOM 0 H GLY A 775 1.111 10.543 15.200 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.691 12.828 15.529 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.055 12.799 15.668 1.00 1.00 H new ATOM 797 N LYS A 776 1.166 13.837 13.389 1.00 1.00 N ATOM 798 CA LYS A 776 1.370 14.491 12.098 1.00 1.00 C ATOM 799 C LYS A 776 2.163 13.635 11.095 1.00 1.00 C ATOM 800 O LYS A 776 2.905 14.146 10.256 1.00 1.00 O ATOM 801 CB LYS A 776 1.963 15.891 12.359 1.00 1.00 C ATOM 802 CG LYS A 776 0.914 16.890 12.897 1.00 1.00 C ATOM 803 CD LYS A 776 0.628 16.797 14.406 1.00 1.00 C ATOM 804 CE LYS A 776 -0.552 17.695 14.782 1.00 1.00 C ATOM 805 NZ LYS A 776 -0.810 17.638 16.232 1.00 1.00 N ATOM 0 H LYS A 776 1.748 14.244 14.121 1.00 1.00 H new ATOM 0 HA LYS A 776 0.412 14.612 11.593 1.00 1.00 H new ATOM 0 HB2 LYS A 776 2.780 15.807 13.075 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.388 16.280 11.434 1.00 1.00 H new ATOM 0 HG2 LYS A 776 1.250 17.902 12.670 1.00 1.00 H new ATOM 0 HG3 LYS A 776 -0.020 16.736 12.357 1.00 1.00 H new ATOM 0 HD2 LYS A 776 0.408 15.765 14.678 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.513 17.094 14.969 1.00 1.00 H new ATOM 0 HE2 LYS A 776 -0.342 18.723 14.485 1.00 1.00 H new ATOM 0 HE3 LYS A 776 -1.442 17.381 14.237 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 -1.614 18.254 16.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 -1.032 16.660 16.507 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 0.034 17.960 16.748 1.00 1.00 H new ATOM 818 N ARG A 777 2.035 12.310 11.179 1.00 1.00 N ATOM 819 CA ARG A 777 2.594 11.318 10.278 1.00 1.00 C ATOM 820 C ARG A 777 1.491 10.301 10.028 1.00 1.00 C ATOM 821 O ARG A 777 1.556 9.192 10.548 1.00 1.00 O ATOM 822 CB ARG A 777 3.859 10.646 10.830 1.00 1.00 C ATOM 823 CG ARG A 777 4.997 11.611 11.164 1.00 1.00 C ATOM 824 CD ARG A 777 6.321 10.838 11.231 1.00 1.00 C ATOM 825 NE ARG A 777 7.388 11.587 11.909 1.00 1.00 N ATOM 826 CZ ARG A 777 8.246 12.462 11.377 1.00 1.00 C ATOM 827 NH1 ARG A 777 8.098 12.908 10.135 1.00 1.00 N ATOM 828 NH2 ARG A 777 9.255 12.913 12.108 1.00 1.00 N ATOM 0 H ARG A 777 1.500 11.879 11.933 1.00 1.00 H new ATOM 0 HA ARG A 777 2.918 11.797 9.354 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.596 10.089 11.730 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.218 9.921 10.100 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.058 12.393 10.408 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.803 12.103 12.117 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.159 9.895 11.752 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.644 10.592 10.219 1.00 1.00 H new ATOM 0 HE ARG A 777 7.486 11.418 12.910 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.317 12.583 9.566 1.00 1.00 H new ATOM 0 HH12 ARG A 777 8.766 13.576 9.750 1.00 1.00 H new ATOM 0 HH21 ARG A 777 9.372 12.592 13.069 1.00 1.00 H new ATOM 0 HH22 ARG A 777 9.915 13.581 11.710 1.00 1.00 H new ATOM 842 N ARG A 778 0.422 10.691 9.333 1.00 1.00 N ATOM 843 CA ARG A 778 -0.624 9.745 8.947 1.00 1.00 C ATOM 844 C ARG A 778 -0.207 9.208 7.581 1.00 1.00 C ATOM 845 O ARG A 778 0.256 9.991 6.744 1.00 1.00 O ATOM 846 CB ARG A 778 -1.996 10.426 8.956 1.00 1.00 C ATOM 847 CG ARG A 778 -3.135 9.396 9.015 1.00 1.00 C ATOM 848 CD ARG A 778 -4.500 10.077 9.172 1.00 1.00 C ATOM 849 NE ARG A 778 -4.670 10.722 10.486 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.470 10.344 11.491 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.287 9.302 11.408 1.00 1.00 N ATOM 852 NH2 ARG A 778 -5.454 11.039 12.616 1.00 1.00 N ATOM 0 H ARG A 778 0.258 11.650 9.027 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.728 8.916 9.648 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -2.065 11.096 9.813 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -2.105 11.040 8.062 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -3.130 8.794 8.107 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.969 8.715 9.850 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -4.620 10.824 8.388 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -5.288 9.337 9.031 1.00 1.00 H new ATOM 0 HE ARG A 778 -4.110 11.559 10.650 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -6.324 8.750 10.551 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -6.878 9.053 12.201 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -4.839 11.848 12.707 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -6.056 10.766 13.393 1.00 1.00 H new ATOM 866 N PHE A 779 -0.331 7.905 7.352 1.00 1.00 N ATOM 867 CA PHE A 779 0.132 7.236 6.140 1.00 1.00 C ATOM 868 C PHE A 779 -0.711 5.988 5.840 1.00 1.00 C ATOM 869 O PHE A 779 -1.763 5.780 6.461 1.00 1.00 O ATOM 870 CB PHE A 779 1.639 6.959 6.279 1.00 1.00 C ATOM 871 CG PHE A 779 2.061 6.134 7.476 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.117 4.731 7.401 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.431 6.781 8.668 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.507 3.991 8.529 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.806 6.040 9.800 1.00 1.00 C ATOM 876 CZ PHE A 779 2.835 4.638 9.731 1.00 1.00 C ATOM 0 H PHE A 779 -0.767 7.269 8.020 1.00 1.00 H new ATOM 0 HA PHE A 779 -0.004 7.878 5.269 1.00 1.00 H new ATOM 0 HB2 PHE A 779 1.978 6.451 5.376 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.160 7.915 6.321 1.00 1.00 H new ATOM 0 HD1 PHE A 779 1.862 4.226 6.481 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.427 7.860 8.713 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.555 2.914 8.471 1.00 1.00 H new ATOM 0 HE2 PHE A 779 3.070 6.545 10.717 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.109 4.059 10.600 1.00 1.00 H new ATOM 886 N ILE A 780 -0.306 5.216 4.827 1.00 1.00 N ATOM 887 CA ILE A 780 -0.975 4.025 4.298 1.00 1.00 C ATOM 888 C ILE A 780 -0.133 2.783 4.583 1.00 1.00 C ATOM 889 O ILE A 780 1.085 2.807 4.476 1.00 1.00 O ATOM 890 CB ILE A 780 -1.432 4.278 2.834 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.888 3.033 2.037 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.541 5.202 1.997 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.229 2.439 2.439 1.00 1.00 C ATOM 0 H ILE A 780 0.556 5.421 4.321 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.911 3.812 4.815 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.341 4.849 3.021 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.933 3.298 0.981 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.125 2.261 2.140 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.960 5.303 0.996 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.489 6.183 2.469 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.461 4.778 1.930 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.445 1.573 1.814 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.192 2.132 3.484 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -4.012 3.186 2.307 1.00 1.00 H new ATOM 905 N THR A 781 -0.780 1.692 4.964 1.00 1.00 N ATOM 906 CA THR A 781 -0.175 0.412 5.276 1.00 1.00 C ATOM 907 C THR A 781 -0.919 -0.632 4.467 1.00 1.00 C ATOM 908 O THR A 781 -2.133 -0.533 4.280 1.00 1.00 O ATOM 909 CB THR A 781 -0.329 0.140 6.786 1.00 1.00 C ATOM 910 OG1 THR A 781 0.552 0.984 7.495 1.00 1.00 O ATOM 911 CG2 THR A 781 -0.066 -1.318 7.204 1.00 1.00 C ATOM 0 H THR A 781 -1.795 1.678 5.068 1.00 1.00 H new ATOM 0 HA THR A 781 0.887 0.393 5.033 1.00 1.00 H new ATOM 0 HB THR A 781 -1.373 0.341 7.025 1.00 1.00 H new ATOM 0 HG1 THR A 781 0.141 1.245 8.346 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.197 -1.417 8.282 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.768 -1.976 6.691 1.00 1.00 H new ATOM 0 HG23 THR A 781 0.953 -1.595 6.935 1.00 1.00 H new ATOM 919 N VAL A 782 -0.200 -1.632 3.980 1.00 1.00 N ATOM 920 CA VAL A 782 -0.793 -2.758 3.297 1.00 1.00 C ATOM 921 C VAL A 782 -0.090 -3.988 3.837 1.00 1.00 C ATOM 922 O VAL A 782 1.138 -4.001 3.955 1.00 1.00 O ATOM 923 CB VAL A 782 -0.717 -2.657 1.768 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.758 -1.696 1.211 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.617 -2.162 1.230 1.00 1.00 C ATOM 0 H VAL A 782 0.816 -1.680 4.051 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.865 -2.798 3.491 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.883 -3.686 1.448 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.670 -1.654 0.125 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.755 -2.043 1.481 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.595 -0.702 1.627 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.578 -2.123 0.141 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.820 -1.165 1.622 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.410 -2.843 1.541 1.00 1.00 H new ATOM 935 N SER A 783 -0.864 -5.020 4.146 1.00 1.00 N ATOM 936 CA SER A 783 -0.336 -6.261 4.683 1.00 1.00 C ATOM 937 C SER A 783 -0.734 -7.418 3.793 1.00 1.00 C ATOM 938 O SER A 783 -1.856 -7.477 3.301 1.00 1.00 O ATOM 939 CB SER A 783 -0.783 -6.494 6.119 1.00 1.00 C ATOM 940 OG SER A 783 -0.498 -5.378 6.940 1.00 1.00 O ATOM 0 H SER A 783 -1.877 -5.017 4.030 1.00 1.00 H new ATOM 0 HA SER A 783 0.751 -6.187 4.700 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.854 -6.697 6.139 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.283 -7.377 6.518 1.00 1.00 H new ATOM 0 HG SER A 783 -0.799 -5.559 7.855 1.00 1.00 H new ATOM 946 N LYS A 784 0.208 -8.329 3.603 1.00 1.00 N ATOM 947 CA LYS A 784 0.103 -9.562 2.838 1.00 1.00 C ATOM 948 C LYS A 784 -0.486 -10.687 3.626 1.00 1.00 C ATOM 949 O LYS A 784 0.026 -10.986 4.709 1.00 1.00 O ATOM 950 CB LYS A 784 1.481 -10.050 2.350 1.00 1.00 C ATOM 951 CG LYS A 784 1.972 -9.364 1.077 1.00 1.00 C ATOM 952 CD LYS A 784 1.665 -10.148 -0.226 1.00 1.00 C ATOM 953 CE LYS A 784 0.418 -11.059 -0.262 1.00 1.00 C ATOM 954 NZ LYS A 784 0.728 -12.443 0.159 1.00 1.00 N ATOM 0 H LYS A 784 1.136 -8.217 4.011 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.548 -9.310 2.001 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.213 -9.889 3.142 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.432 -11.125 2.175 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.515 -8.377 1.010 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.049 -9.212 1.151 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.569 -9.423 -1.034 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.534 -10.766 -0.453 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.351 -10.646 0.390 1.00 1.00 H new ATOM 0 HE3 LYS A 784 0.007 -11.071 -1.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 -0.046 -12.808 0.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 0.836 -13.046 -0.682 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 1.613 -12.450 0.705 1.00 1.00 H new ATOM 967 N ARG A 785 -1.559 -11.287 3.107 1.00 1.00 N ATOM 968 CA ARG A 785 -2.055 -12.468 3.784 1.00 1.00 C ATOM 969 C ARG A 785 -1.172 -13.530 3.136 1.00 1.00 C ATOM 970 O ARG A 785 -1.253 -13.709 1.913 1.00 1.00 O ATOM 971 CB ARG A 785 -3.554 -12.686 3.548 1.00 1.00 C ATOM 972 CG ARG A 785 -4.378 -11.469 4.005 1.00 1.00 C ATOM 973 CD ARG A 785 -5.821 -11.836 4.367 1.00 1.00 C ATOM 974 NE ARG A 785 -5.972 -12.119 5.803 1.00 1.00 N ATOM 975 CZ ARG A 785 -5.861 -13.287 6.444 1.00 1.00 C ATOM 976 NH1 ARG A 785 -5.676 -14.437 5.806 1.00 1.00 N ATOM 977 NH2 ARG A 785 -5.929 -13.275 7.767 1.00 1.00 N ATOM 0 H ARG A 785 -2.069 -10.993 2.274 1.00 1.00 H new ATOM 0 HA ARG A 785 -1.996 -12.444 4.872 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.734 -12.872 2.489 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -3.883 -13.574 4.088 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -3.896 -11.012 4.869 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.385 -10.721 3.212 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.485 -11.018 4.087 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.129 -12.708 3.791 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.191 -11.314 6.390 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -5.613 -14.451 4.788 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -5.596 -15.306 6.334 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -6.062 -12.394 8.263 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -5.848 -14.147 8.290 1.00 1.00 H new ATOM 991 N ALA A 786 -0.281 -14.150 3.910 1.00 1.00 N ATOM 992 CA ALA A 786 0.685 -15.108 3.392 1.00 1.00 C ATOM 993 C ALA A 786 -0.051 -16.377 3.022 1.00 1.00 C ATOM 994 O ALA A 786 0.338 -17.030 2.031 1.00 1.00 O ATOM 995 CB ALA A 786 1.777 -15.402 4.424 1.00 1.00 C ATOM 0 H ALA A 786 -0.212 -13.999 4.916 1.00 1.00 H new ATOM 0 HA ALA A 786 1.174 -14.690 2.512 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.485 -16.120 4.010 1.00 1.00 H new ATOM 0 HB2 ALA A 786 2.301 -14.479 4.673 1.00 1.00 H new ATOM 0 HB3 ALA A 786 1.324 -15.816 5.325 1.00 1.00 H new TER 1001 ALA A 786