USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 750 TYR OH : rot 165:sc= -0.247 USER MOD Single : A 758 THR OG1 : rot -87:sc= -1.6 USER MOD Single : A 760 SER OG : rot -179:sc= -1.6 USER MOD Single : A 764 SER OG : rot 180:sc= 0 USER MOD Single : A 766 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 769 GLN :FLIP amide:sc=-0.000272 F(o=-1.6,f=-0.00027) USER MOD Single : A 771 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 773 LYS NZ :NH3+ 161:sc=-0.00833 (180deg=-0.116) USER MOD Single : A 776 TYR OH : rot 180:sc= 0 USER MOD Single : A 777 ASN : amide:sc=-0.000639 K(o=-0.00064,f=-1.3!) USER MOD Single : A 782 MET CE :methyl -114:sc= -8.19! (180deg=-12.8!) USER MOD Single : A 786 MET CE :methyl 168:sc= -5.88! (180deg=-6.03!) USER MOD Single : A 788 MET CE :methyl -164:sc= -0.014 (180deg=-0.274) USER MOD Single : A 793 THR OG1 : rot 150:sc= -1.4 USER MOD Single : A 795 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 796 ASN : amide:sc= -0.683 K(o=-0.68,f=-1.9!) USER MOD Single : A 797 THR OG1 : rot 180:sc= 0 USER MOD Single : A 798 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.8!) USER MOD Single : A 800 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLY A 743 8.489 -0.519 7.104 1.00 0.00 N ATOM 37 CA GLY A 743 7.096 -0.400 6.718 1.00 0.00 C ATOM 38 C GLY A 743 6.205 0.010 7.873 1.00 0.00 C ATOM 39 O GLY A 743 5.254 -0.694 8.214 1.00 0.00 O ATOM 0 HA2 GLY A 743 7.006 0.333 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 743 6.751 -1.353 6.318 1.00 0.00 H new ATOM 43 N SER A 744 6.508 1.156 8.474 1.00 0.00 N ATOM 44 CA SER A 744 5.723 1.664 9.594 1.00 0.00 C ATOM 45 C SER A 744 5.081 2.994 9.224 1.00 0.00 C ATOM 46 O SER A 744 3.890 3.210 9.447 1.00 0.00 O ATOM 47 CB SER A 744 6.604 1.833 10.833 1.00 0.00 C ATOM 48 OG SER A 744 7.154 0.592 11.241 1.00 0.00 O ATOM 0 H SER A 744 7.292 1.751 8.204 1.00 0.00 H new ATOM 0 HA SER A 744 4.938 0.943 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 744 7.408 2.537 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 744 6.016 2.259 11.646 1.00 0.00 H new ATOM 0 HG SER A 744 7.714 0.727 12.034 1.00 0.00 H new ATOM 54 N GLU A 745 5.883 3.872 8.641 1.00 0.00 N ATOM 55 CA GLU A 745 5.415 5.181 8.213 1.00 0.00 C ATOM 56 C GLU A 745 6.360 5.760 7.172 1.00 0.00 C ATOM 57 O GLU A 745 5.933 6.201 6.105 1.00 0.00 O ATOM 58 CB GLU A 745 5.294 6.134 9.400 1.00 0.00 C ATOM 59 CG GLU A 745 4.357 7.297 9.133 1.00 0.00 C ATOM 60 CD GLU A 745 4.922 8.624 9.601 1.00 0.00 C ATOM 61 OE1 GLU A 745 5.198 8.756 10.812 1.00 0.00 O ATOM 62 OE2 GLU A 745 5.088 9.529 8.757 1.00 0.00 O ATOM 0 H GLU A 745 6.870 3.699 8.452 1.00 0.00 H new ATOM 0 HA GLU A 745 4.426 5.061 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 745 4.938 5.580 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 745 6.282 6.521 9.651 1.00 0.00 H new ATOM 0 HG2 GLU A 745 4.149 7.352 8.065 1.00 0.00 H new ATOM 0 HG3 GLU A 745 3.406 7.115 9.634 1.00 0.00 H new ATOM 69 N ASP A 746 7.650 5.735 7.483 1.00 0.00 N ATOM 70 CA ASP A 746 8.659 6.237 6.563 1.00 0.00 C ATOM 71 C ASP A 746 9.722 5.174 6.309 1.00 0.00 C ATOM 72 O ASP A 746 10.681 5.037 7.066 1.00 0.00 O ATOM 73 CB ASP A 746 9.308 7.504 7.125 1.00 0.00 C ATOM 74 CG ASP A 746 8.382 8.703 7.058 1.00 0.00 C ATOM 75 OD1 ASP A 746 7.959 9.064 5.940 1.00 0.00 O ATOM 76 OD2 ASP A 746 8.081 9.281 8.122 1.00 0.00 O ATOM 0 H ASP A 746 8.020 5.374 8.362 1.00 0.00 H new ATOM 0 HA ASP A 746 8.174 6.480 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 746 9.600 7.331 8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 746 10.220 7.720 6.568 1.00 0.00 H new ATOM 81 N ASP A 747 9.534 4.432 5.226 1.00 0.00 N ATOM 82 CA ASP A 747 10.460 3.378 4.834 1.00 0.00 C ATOM 83 C ASP A 747 10.988 3.633 3.426 1.00 0.00 C ATOM 84 O ASP A 747 10.251 4.109 2.562 1.00 0.00 O ATOM 85 CB ASP A 747 9.761 2.017 4.894 1.00 0.00 C ATOM 86 CG ASP A 747 10.705 0.862 4.627 1.00 0.00 C ATOM 87 OD1 ASP A 747 11.006 0.604 3.443 1.00 0.00 O ATOM 88 OD2 ASP A 747 11.144 0.216 5.601 1.00 0.00 O ATOM 0 H ASP A 747 8.739 4.543 4.597 1.00 0.00 H new ATOM 0 HA ASP A 747 11.301 3.376 5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 747 9.307 1.890 5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 747 8.952 1.996 4.164 1.00 0.00 H new ATOM 93 N PRO A 748 12.270 3.317 3.168 1.00 0.00 N ATOM 94 CA PRO A 748 12.892 3.510 1.855 1.00 0.00 C ATOM 95 C PRO A 748 11.957 3.207 0.686 1.00 0.00 C ATOM 96 O PRO A 748 12.117 3.761 -0.401 1.00 0.00 O ATOM 97 CB PRO A 748 14.042 2.509 1.890 1.00 0.00 C ATOM 98 CG PRO A 748 14.471 2.496 3.317 1.00 0.00 C ATOM 99 CD PRO A 748 13.228 2.742 4.138 1.00 0.00 C ATOM 0 HA PRO A 748 13.189 4.546 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 748 13.720 1.521 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 748 14.856 2.814 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 748 14.925 1.540 3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 748 15.219 3.266 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 748 12.848 1.818 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 748 13.423 3.428 4.962 1.00 0.00 H new ATOM 107 N LEU A 749 10.993 2.315 0.901 1.00 0.00 N ATOM 108 CA LEU A 749 10.063 1.946 -0.159 1.00 0.00 C ATOM 109 C LEU A 749 8.609 2.251 0.202 1.00 0.00 C ATOM 110 O LEU A 749 7.753 2.305 -0.682 1.00 0.00 O ATOM 111 CB LEU A 749 10.227 0.463 -0.483 1.00 0.00 C ATOM 112 CG LEU A 749 11.600 0.088 -1.046 1.00 0.00 C ATOM 113 CD1 LEU A 749 11.865 -1.400 -0.883 1.00 0.00 C ATOM 114 CD2 LEU A 749 11.699 0.496 -2.508 1.00 0.00 C ATOM 0 H LEU A 749 10.837 1.840 1.790 1.00 0.00 H new ATOM 0 HA LEU A 749 10.302 2.550 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 749 10.048 -0.116 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 749 9.461 0.174 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 749 12.362 0.627 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 749 12.847 -1.642 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 749 11.837 -1.661 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 749 11.101 -1.966 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 749 12.680 0.224 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 749 10.927 -0.016 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 749 11.561 1.574 -2.595 1.00 0.00 H new ATOM 126 N TYR A 750 8.318 2.462 1.487 1.00 0.00 N ATOM 127 CA TYR A 750 6.945 2.760 1.895 1.00 0.00 C ATOM 128 C TYR A 750 6.389 3.916 1.085 1.00 0.00 C ATOM 129 O TYR A 750 5.306 3.821 0.531 1.00 0.00 O ATOM 130 CB TYR A 750 6.852 3.092 3.380 1.00 0.00 C ATOM 131 CG TYR A 750 5.449 3.445 3.836 1.00 0.00 C ATOM 132 CD1 TYR A 750 4.549 2.453 4.203 1.00 0.00 C ATOM 133 CD2 TYR A 750 5.033 4.770 3.917 1.00 0.00 C ATOM 134 CE1 TYR A 750 3.274 2.766 4.632 1.00 0.00 C ATOM 135 CE2 TYR A 750 3.761 5.091 4.356 1.00 0.00 C ATOM 136 CZ TYR A 750 2.886 4.086 4.710 1.00 0.00 C ATOM 137 OH TYR A 750 1.621 4.403 5.148 1.00 0.00 O ATOM 0 H TYR A 750 8.997 2.433 2.247 1.00 0.00 H new ATOM 0 HA TYR A 750 6.354 1.863 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 750 7.209 2.239 3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 750 7.517 3.927 3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 750 4.852 1.418 4.152 1.00 0.00 H new ATOM 0 HD2 TYR A 750 5.713 5.560 3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 750 2.585 1.981 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 750 3.455 6.125 4.421 1.00 0.00 H new ATOM 0 HH TYR A 750 1.582 5.356 5.373 1.00 0.00 H new ATOM 147 N ASP A 751 7.138 5.007 1.011 1.00 0.00 N ATOM 148 CA ASP A 751 6.697 6.168 0.250 1.00 0.00 C ATOM 149 C ASP A 751 6.332 5.746 -1.169 1.00 0.00 C ATOM 150 O ASP A 751 5.373 6.253 -1.753 1.00 0.00 O ATOM 151 CB ASP A 751 7.793 7.234 0.215 1.00 0.00 C ATOM 152 CG ASP A 751 9.083 6.715 -0.391 1.00 0.00 C ATOM 153 OD1 ASP A 751 9.707 5.822 0.218 1.00 0.00 O ATOM 154 OD2 ASP A 751 9.465 7.201 -1.476 1.00 0.00 O ATOM 0 H ASP A 751 8.046 5.113 1.464 1.00 0.00 H new ATOM 0 HA ASP A 751 5.818 6.592 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 751 7.444 8.092 -0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 751 7.986 7.586 1.228 1.00 0.00 H new ATOM 159 N GLU A 752 7.089 4.794 -1.708 1.00 0.00 N ATOM 160 CA GLU A 752 6.828 4.283 -3.045 1.00 0.00 C ATOM 161 C GLU A 752 5.554 3.447 -3.043 1.00 0.00 C ATOM 162 O GLU A 752 4.736 3.534 -3.958 1.00 0.00 O ATOM 163 CB GLU A 752 8.013 3.456 -3.546 1.00 0.00 C ATOM 164 CG GLU A 752 9.195 4.303 -3.992 1.00 0.00 C ATOM 165 CD GLU A 752 10.152 3.544 -4.892 1.00 0.00 C ATOM 166 OE1 GLU A 752 10.306 2.321 -4.699 1.00 0.00 O ATOM 167 OE2 GLU A 752 10.749 4.176 -5.789 1.00 0.00 O ATOM 0 H GLU A 752 7.886 4.363 -1.239 1.00 0.00 H new ATOM 0 HA GLU A 752 6.693 5.126 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 752 8.337 2.782 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 752 7.686 2.834 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 752 8.828 5.183 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 752 9.734 4.659 -3.114 1.00 0.00 H new ATOM 174 N ALA A 753 5.389 2.649 -1.992 1.00 0.00 N ATOM 175 CA ALA A 753 4.211 1.803 -1.846 1.00 0.00 C ATOM 176 C ALA A 753 2.962 2.664 -1.717 1.00 0.00 C ATOM 177 O ALA A 753 2.003 2.499 -2.464 1.00 0.00 O ATOM 178 CB ALA A 753 4.360 0.893 -0.637 1.00 0.00 C ATOM 0 H ALA A 753 6.059 2.571 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 753 4.113 1.179 -2.734 1.00 0.00 H new ATOM 0 HB1 ALA A 753 3.473 0.267 -0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 753 5.238 0.260 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 753 4.476 1.498 0.262 1.00 0.00 H new ATOM 184 N VAL A 754 2.995 3.593 -0.769 1.00 0.00 N ATOM 185 CA VAL A 754 1.886 4.502 -0.535 1.00 0.00 C ATOM 186 C VAL A 754 1.544 5.260 -1.814 1.00 0.00 C ATOM 187 O VAL A 754 0.372 5.467 -2.129 1.00 0.00 O ATOM 188 CB VAL A 754 2.239 5.491 0.598 1.00 0.00 C ATOM 189 CG1 VAL A 754 1.371 6.737 0.561 1.00 0.00 C ATOM 190 CG2 VAL A 754 2.115 4.802 1.943 1.00 0.00 C ATOM 0 H VAL A 754 3.789 3.735 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 754 1.014 3.921 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 754 3.270 5.812 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 754 1.655 7.403 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 754 1.510 7.249 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 754 0.324 6.455 0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 754 2.366 5.506 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 754 1.092 4.451 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 754 2.798 3.953 1.981 1.00 0.00 H new ATOM 200 N ARG A 755 2.574 5.652 -2.558 1.00 0.00 N ATOM 201 CA ARG A 755 2.374 6.363 -3.812 1.00 0.00 C ATOM 202 C ARG A 755 1.790 5.415 -4.853 1.00 0.00 C ATOM 203 O ARG A 755 0.947 5.799 -5.665 1.00 0.00 O ATOM 204 CB ARG A 755 3.698 6.942 -4.313 1.00 0.00 C ATOM 205 CG ARG A 755 4.076 8.253 -3.647 1.00 0.00 C ATOM 206 CD ARG A 755 5.224 8.936 -4.370 1.00 0.00 C ATOM 207 NE ARG A 755 5.579 10.210 -3.749 1.00 0.00 N ATOM 208 CZ ARG A 755 6.243 11.180 -4.372 1.00 0.00 C ATOM 209 NH1 ARG A 755 6.633 11.026 -5.632 1.00 0.00 N ATOM 210 NH2 ARG A 755 6.520 12.309 -3.733 1.00 0.00 N ATOM 0 H ARG A 755 3.551 5.489 -2.314 1.00 0.00 H new ATOM 0 HA ARG A 755 1.678 7.185 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 755 4.492 6.215 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 755 3.634 7.096 -5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 755 3.211 8.916 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 755 4.357 8.068 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 755 6.094 8.279 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 755 4.948 9.104 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 755 5.301 10.365 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 755 6.424 10.160 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 755 7.142 11.774 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 755 6.224 12.433 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 755 7.029 13.053 -4.210 1.00 0.00 H new ATOM 224 N PHE A 756 2.245 4.167 -4.806 1.00 0.00 N ATOM 225 CA PHE A 756 1.779 3.140 -5.727 1.00 0.00 C ATOM 226 C PHE A 756 0.306 2.817 -5.475 1.00 0.00 C ATOM 227 O PHE A 756 -0.486 2.730 -6.411 1.00 0.00 O ATOM 228 CB PHE A 756 2.639 1.878 -5.573 1.00 0.00 C ATOM 229 CG PHE A 756 1.913 0.603 -5.888 1.00 0.00 C ATOM 230 CD1 PHE A 756 1.220 -0.070 -4.897 1.00 0.00 C ATOM 231 CD2 PHE A 756 1.918 0.080 -7.171 1.00 0.00 C ATOM 232 CE1 PHE A 756 0.545 -1.239 -5.179 1.00 0.00 C ATOM 233 CE2 PHE A 756 1.245 -1.090 -7.456 1.00 0.00 C ATOM 234 CZ PHE A 756 0.558 -1.749 -6.460 1.00 0.00 C ATOM 0 H PHE A 756 2.941 3.842 -4.134 1.00 0.00 H new ATOM 0 HA PHE A 756 1.873 3.513 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 756 3.508 1.961 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 756 3.013 1.828 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 756 1.208 0.325 -3.892 1.00 0.00 H new ATOM 0 HD2 PHE A 756 2.454 0.593 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 756 0.007 -1.754 -4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 756 1.257 -1.489 -8.459 1.00 0.00 H new ATOM 0 HZ PHE A 756 0.030 -2.664 -6.682 1.00 0.00 H new ATOM 244 N VAL A 757 -0.050 2.640 -4.207 1.00 0.00 N ATOM 245 CA VAL A 757 -1.418 2.327 -3.834 1.00 0.00 C ATOM 246 C VAL A 757 -2.330 3.522 -4.074 1.00 0.00 C ATOM 247 O VAL A 757 -3.438 3.379 -4.590 1.00 0.00 O ATOM 248 CB VAL A 757 -1.501 1.905 -2.355 1.00 0.00 C ATOM 249 CG1 VAL A 757 -2.931 1.576 -1.968 1.00 0.00 C ATOM 250 CG2 VAL A 757 -0.584 0.721 -2.087 1.00 0.00 C ATOM 0 H VAL A 757 0.595 2.709 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 757 -1.748 1.496 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 757 -1.169 2.742 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 757 -2.965 1.281 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 757 -3.560 2.454 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 757 -3.296 0.757 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 757 -0.655 0.436 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 757 -0.883 -0.120 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 757 0.444 0.998 -2.319 1.00 0.00 H new ATOM 260 N THR A 758 -1.852 4.704 -3.703 1.00 0.00 N ATOM 261 CA THR A 758 -2.620 5.928 -3.883 1.00 0.00 C ATOM 262 C THR A 758 -3.007 6.116 -5.347 1.00 0.00 C ATOM 263 O THR A 758 -4.147 6.459 -5.659 1.00 0.00 O ATOM 264 CB THR A 758 -1.814 7.131 -3.399 1.00 0.00 C ATOM 265 OG1 THR A 758 -0.472 7.042 -3.837 1.00 0.00 O ATOM 266 CG2 THR A 758 -1.799 7.277 -1.892 1.00 0.00 C ATOM 0 H THR A 758 -0.936 4.840 -3.276 1.00 0.00 H new ATOM 0 HA THR A 758 -3.533 5.848 -3.292 1.00 0.00 H new ATOM 0 HB THR A 758 -2.312 8.002 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 758 0.051 6.527 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 758 -1.209 8.151 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 758 -2.819 7.399 -1.528 1.00 0.00 H new ATOM 0 HG23 THR A 758 -1.358 6.386 -1.445 1.00 0.00 H new ATOM 274 N GLU A 759 -2.049 5.889 -6.243 1.00 0.00 N ATOM 275 CA GLU A 759 -2.293 6.036 -7.674 1.00 0.00 C ATOM 276 C GLU A 759 -3.032 4.823 -8.237 1.00 0.00 C ATOM 277 O GLU A 759 -3.838 4.950 -9.159 1.00 0.00 O ATOM 278 CB GLU A 759 -0.971 6.238 -8.420 1.00 0.00 C ATOM 279 CG GLU A 759 -0.755 7.666 -8.893 1.00 0.00 C ATOM 280 CD GLU A 759 0.640 7.894 -9.442 1.00 0.00 C ATOM 281 OE1 GLU A 759 1.615 7.489 -8.773 1.00 0.00 O ATOM 282 OE2 GLU A 759 0.758 8.477 -10.541 1.00 0.00 O ATOM 0 H GLU A 759 -1.100 5.603 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 759 -2.923 6.914 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -0.147 5.951 -7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -0.943 5.570 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -1.488 7.904 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -0.931 8.350 -8.063 1.00 0.00 H new ATOM 289 N SER A 760 -2.751 3.649 -7.680 1.00 0.00 N ATOM 290 CA SER A 760 -3.392 2.417 -8.131 1.00 0.00 C ATOM 291 C SER A 760 -4.839 2.336 -7.646 1.00 0.00 C ATOM 292 O SER A 760 -5.630 1.543 -8.159 1.00 0.00 O ATOM 293 CB SER A 760 -2.604 1.199 -7.640 1.00 0.00 C ATOM 294 OG SER A 760 -2.922 0.894 -6.292 1.00 0.00 O ATOM 0 H SER A 760 -2.085 3.524 -6.917 1.00 0.00 H new ATOM 0 HA SER A 760 -3.400 2.422 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 760 -2.826 0.339 -8.273 1.00 0.00 H new ATOM 0 HB3 SER A 760 -1.535 1.393 -7.730 1.00 0.00 H new ATOM 0 HG SER A 760 -2.395 0.122 -5.998 1.00 0.00 H new ATOM 300 N ARG A 761 -5.181 3.160 -6.658 1.00 0.00 N ATOM 301 CA ARG A 761 -6.533 3.182 -6.105 1.00 0.00 C ATOM 302 C ARG A 761 -6.878 1.859 -5.419 1.00 0.00 C ATOM 303 O ARG A 761 -8.043 1.584 -5.134 1.00 0.00 O ATOM 304 CB ARG A 761 -7.554 3.484 -7.208 1.00 0.00 C ATOM 305 CG ARG A 761 -7.945 4.952 -7.288 1.00 0.00 C ATOM 306 CD ARG A 761 -8.757 5.382 -6.076 1.00 0.00 C ATOM 307 NE ARG A 761 -9.992 6.065 -6.458 1.00 0.00 N ATOM 308 CZ ARG A 761 -10.141 7.390 -6.477 1.00 0.00 C ATOM 309 NH1 ARG A 761 -9.134 8.189 -6.144 1.00 0.00 N ATOM 310 NH2 ARG A 761 -11.304 7.918 -6.835 1.00 0.00 N ATOM 0 H ARG A 761 -4.539 3.823 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 761 -6.572 3.971 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 761 -7.142 3.173 -8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 761 -8.449 2.887 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 761 -7.047 5.565 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 761 -8.524 5.126 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 761 -8.998 4.507 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 761 -8.155 6.043 -5.452 1.00 0.00 H new ATOM 0 HE ARG A 761 -10.791 5.491 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 761 -8.236 7.791 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 761 -9.259 9.201 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 761 -12.081 7.311 -7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 761 -11.421 8.931 -6.850 1.00 0.00 H new ATOM 324 N ARG A 762 -5.859 1.047 -5.152 1.00 0.00 N ATOM 325 CA ARG A 762 -6.051 -0.240 -4.498 1.00 0.00 C ATOM 326 C ARG A 762 -4.787 -0.651 -3.749 1.00 0.00 C ATOM 327 O ARG A 762 -3.674 -0.395 -4.208 1.00 0.00 O ATOM 328 CB ARG A 762 -6.420 -1.301 -5.533 1.00 0.00 C ATOM 329 CG ARG A 762 -5.320 -1.573 -6.546 1.00 0.00 C ATOM 330 CD ARG A 762 -5.877 -1.690 -7.956 1.00 0.00 C ATOM 331 NE ARG A 762 -5.028 -1.016 -8.936 1.00 0.00 N ATOM 332 CZ ARG A 762 -4.898 -1.403 -10.204 1.00 0.00 C ATOM 333 NH1 ARG A 762 -5.579 -2.447 -10.662 1.00 0.00 N ATOM 334 NH2 ARG A 762 -4.091 -0.739 -11.018 1.00 0.00 N ATOM 0 H ARG A 762 -4.888 1.261 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 762 -6.865 -0.149 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 762 -6.665 -2.230 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 762 -7.319 -0.983 -6.062 1.00 0.00 H new ATOM 0 HG2 ARG A 762 -4.584 -0.770 -6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 762 -4.800 -2.494 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 762 -5.973 -2.743 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 762 -6.878 -1.261 -7.987 1.00 0.00 H new ATOM 0 HE ARG A 762 -4.502 -0.198 -8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 762 -6.207 -2.958 -10.042 1.00 0.00 H new ATOM 0 HH12 ARG A 762 -5.474 -2.737 -11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 762 -3.570 0.068 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 762 -3.990 -1.034 -11.989 1.00 0.00 H new ATOM 348 N ALA A 763 -4.958 -1.279 -2.588 1.00 0.00 N ATOM 349 CA ALA A 763 -3.821 -1.705 -1.784 1.00 0.00 C ATOM 350 C ALA A 763 -3.637 -3.219 -1.814 1.00 0.00 C ATOM 351 O ALA A 763 -4.162 -3.936 -0.963 1.00 0.00 O ATOM 352 CB ALA A 763 -3.992 -1.228 -0.350 1.00 0.00 C ATOM 0 H ALA A 763 -5.869 -1.502 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 763 -2.925 -1.257 -2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 763 -3.138 -1.551 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 763 -4.056 -0.140 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 763 -4.906 -1.651 0.068 1.00 0.00 H new ATOM 358 N SER A 764 -2.863 -3.697 -2.778 1.00 0.00 N ATOM 359 CA SER A 764 -2.583 -5.122 -2.895 1.00 0.00 C ATOM 360 C SER A 764 -1.091 -5.360 -2.756 1.00 0.00 C ATOM 361 O SER A 764 -0.300 -4.859 -3.549 1.00 0.00 O ATOM 362 CB SER A 764 -3.079 -5.662 -4.238 1.00 0.00 C ATOM 363 OG SER A 764 -4.290 -5.038 -4.625 1.00 0.00 O ATOM 0 H SER A 764 -2.417 -3.119 -3.491 1.00 0.00 H new ATOM 0 HA SER A 764 -3.109 -5.650 -2.100 1.00 0.00 H new ATOM 0 HB2 SER A 764 -2.320 -5.495 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 764 -3.228 -6.739 -4.167 1.00 0.00 H new ATOM 0 HG SER A 764 -4.584 -5.400 -5.487 1.00 0.00 H new ATOM 369 N ILE A 765 -0.708 -6.115 -1.737 1.00 0.00 N ATOM 370 CA ILE A 765 0.698 -6.398 -1.489 1.00 0.00 C ATOM 371 C ILE A 765 1.376 -6.984 -2.722 1.00 0.00 C ATOM 372 O ILE A 765 2.447 -6.530 -3.127 1.00 0.00 O ATOM 373 CB ILE A 765 0.886 -7.359 -0.304 1.00 0.00 C ATOM 374 CG1 ILE A 765 0.054 -6.902 0.899 1.00 0.00 C ATOM 375 CG2 ILE A 765 2.356 -7.436 0.063 1.00 0.00 C ATOM 376 CD1 ILE A 765 -0.226 -8.007 1.894 1.00 0.00 C ATOM 0 H ILE A 765 -1.350 -6.542 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 765 1.165 -5.444 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 765 0.541 -8.351 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 765 0.578 -6.092 1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 765 -0.893 -6.496 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 765 2.486 -8.118 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 765 2.926 -7.801 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 765 2.714 -6.445 0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 765 -0.819 -7.612 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 765 -0.777 -8.809 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 765 0.716 -8.398 2.279 1.00 0.00 H new ATOM 388 N SER A 766 0.746 -7.987 -3.320 1.00 0.00 N ATOM 389 CA SER A 766 1.290 -8.625 -4.513 1.00 0.00 C ATOM 390 C SER A 766 1.553 -7.590 -5.600 1.00 0.00 C ATOM 391 O SER A 766 2.584 -7.618 -6.275 1.00 0.00 O ATOM 392 CB SER A 766 0.323 -9.690 -5.028 1.00 0.00 C ATOM 393 OG SER A 766 -0.714 -9.110 -5.800 1.00 0.00 O ATOM 0 H SER A 766 -0.141 -8.376 -3.000 1.00 0.00 H new ATOM 0 HA SER A 766 2.235 -9.101 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 766 0.866 -10.417 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 766 -0.107 -10.233 -4.186 1.00 0.00 H new ATOM 0 HG SER A 766 -1.317 -9.814 -6.118 1.00 0.00 H new ATOM 399 N ALA A 767 0.614 -6.668 -5.754 1.00 0.00 N ATOM 400 CA ALA A 767 0.741 -5.614 -6.747 1.00 0.00 C ATOM 401 C ALA A 767 1.825 -4.624 -6.341 1.00 0.00 C ATOM 402 O ALA A 767 2.618 -4.183 -7.173 1.00 0.00 O ATOM 403 CB ALA A 767 -0.595 -4.915 -6.941 1.00 0.00 C ATOM 0 H ALA A 767 -0.244 -6.629 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 767 1.035 -6.059 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -0.489 -4.127 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -1.338 -5.637 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -0.918 -4.478 -5.996 1.00 0.00 H new ATOM 409 N VAL A 768 1.872 -4.292 -5.053 1.00 0.00 N ATOM 410 CA VAL A 768 2.882 -3.373 -4.545 1.00 0.00 C ATOM 411 C VAL A 768 4.270 -3.927 -4.810 1.00 0.00 C ATOM 412 O VAL A 768 5.146 -3.221 -5.296 1.00 0.00 O ATOM 413 CB VAL A 768 2.750 -3.121 -3.027 1.00 0.00 C ATOM 414 CG1 VAL A 768 3.781 -2.105 -2.562 1.00 0.00 C ATOM 415 CG2 VAL A 768 1.359 -2.643 -2.673 1.00 0.00 C ATOM 0 H VAL A 768 1.225 -4.644 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 768 2.728 -2.428 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 768 2.930 -4.067 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 768 3.672 -1.941 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 768 4.782 -2.481 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 768 3.629 -1.164 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 768 1.295 -2.474 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 768 1.149 -1.712 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 768 0.629 -3.398 -2.965 1.00 0.00 H new ATOM 425 N GLN A 769 4.466 -5.199 -4.479 1.00 0.00 N ATOM 426 CA GLN A 769 5.757 -5.832 -4.678 1.00 0.00 C ATOM 427 C GLN A 769 6.092 -5.922 -6.159 1.00 0.00 C ATOM 428 O GLN A 769 7.257 -5.820 -6.547 1.00 0.00 O ATOM 429 CB GLN A 769 5.789 -7.219 -4.030 1.00 0.00 C ATOM 430 CG GLN A 769 4.904 -8.244 -4.718 1.00 0.00 C ATOM 431 CD GLN A 769 5.614 -9.561 -4.959 1.00 0.00 C ATOM 432 OE1 GLN A 769 6.062 -10.193 -3.884 1.00 0.00 O flip ATOM 433 NE2 GLN A 769 5.757 -10.003 -6.098 1.00 0.00 N flip ATOM 0 H GLN A 769 3.751 -5.805 -4.075 1.00 0.00 H new ATOM 0 HA GLN A 769 6.514 -5.214 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 769 6.816 -7.584 -4.028 1.00 0.00 H new ATOM 0 HB3 GLN A 769 5.481 -7.129 -2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 769 4.017 -8.420 -4.109 1.00 0.00 H new ATOM 0 HG3 GLN A 769 4.561 -7.841 -5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 769 5.395 -9.482 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 769 6.237 -10.891 -6.244 1.00 0.00 H new ATOM 442 N ARG A 770 5.064 -6.112 -6.980 1.00 0.00 N ATOM 443 CA ARG A 770 5.244 -6.213 -8.419 1.00 0.00 C ATOM 444 C ARG A 770 5.653 -4.869 -9.020 1.00 0.00 C ATOM 445 O ARG A 770 6.527 -4.807 -9.885 1.00 0.00 O ATOM 446 CB ARG A 770 3.949 -6.714 -9.065 1.00 0.00 C ATOM 447 CG ARG A 770 4.000 -8.179 -9.461 1.00 0.00 C ATOM 448 CD ARG A 770 2.861 -8.547 -10.398 1.00 0.00 C ATOM 449 NE ARG A 770 2.687 -9.994 -10.503 1.00 0.00 N ATOM 450 CZ ARG A 770 1.849 -10.580 -11.354 1.00 0.00 C ATOM 451 NH1 ARG A 770 1.106 -9.850 -12.177 1.00 0.00 N ATOM 452 NH2 ARG A 770 1.753 -11.903 -11.384 1.00 0.00 N ATOM 0 H ARG A 770 4.096 -6.199 -6.670 1.00 0.00 H new ATOM 0 HA ARG A 770 6.046 -6.924 -8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 770 3.123 -6.562 -8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 770 3.737 -6.113 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 770 4.953 -8.392 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 770 3.951 -8.800 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 770 1.936 -8.095 -10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 770 3.056 -8.132 -11.387 1.00 0.00 H new ATOM 0 HE ARG A 770 3.241 -10.590 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 770 1.175 -8.833 -12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 770 0.466 -10.307 -12.827 1.00 0.00 H new ATOM 0 HH21 ARG A 770 2.321 -12.470 -10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 770 1.111 -12.353 -12.036 1.00 0.00 H new ATOM 466 N LYS A 771 5.012 -3.798 -8.563 1.00 0.00 N ATOM 467 CA LYS A 771 5.306 -2.456 -9.063 1.00 0.00 C ATOM 468 C LYS A 771 6.578 -1.885 -8.442 1.00 0.00 C ATOM 469 O LYS A 771 7.370 -1.231 -9.120 1.00 0.00 O ATOM 470 CB LYS A 771 4.129 -1.520 -8.785 1.00 0.00 C ATOM 471 CG LYS A 771 3.899 -0.491 -9.882 1.00 0.00 C ATOM 472 CD LYS A 771 2.665 -0.819 -10.707 1.00 0.00 C ATOM 473 CE LYS A 771 2.081 0.421 -11.362 1.00 0.00 C ATOM 474 NZ LYS A 771 0.658 0.221 -11.756 1.00 0.00 N ATOM 0 H LYS A 771 4.286 -3.831 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 771 5.465 -2.535 -10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 771 3.224 -2.115 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 771 4.302 -1.001 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 771 3.787 0.498 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 771 4.772 -0.451 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 771 2.924 -1.548 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 771 1.913 -1.282 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 771 2.153 1.263 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 771 2.669 0.678 -12.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 0.295 1.089 -12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 0.592 -0.567 -12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 0.092 0.001 -10.912 1.00 0.00 H new ATOM 488 N LEU A 772 6.763 -2.126 -7.150 1.00 0.00 N ATOM 489 CA LEU A 772 7.938 -1.623 -6.438 1.00 0.00 C ATOM 490 C LEU A 772 9.122 -2.577 -6.552 1.00 0.00 C ATOM 491 O LEU A 772 10.236 -2.237 -6.152 1.00 0.00 O ATOM 492 CB LEU A 772 7.613 -1.387 -4.960 1.00 0.00 C ATOM 493 CG LEU A 772 7.435 0.080 -4.560 1.00 0.00 C ATOM 494 CD1 LEU A 772 5.964 0.424 -4.422 1.00 0.00 C ATOM 495 CD2 LEU A 772 8.168 0.371 -3.259 1.00 0.00 C ATOM 0 H LEU A 772 6.118 -2.665 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 772 8.215 -0.678 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 772 6.699 -1.928 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 772 8.411 -1.818 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 772 7.862 0.701 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.860 1.471 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 772 5.460 0.255 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 772 5.513 -0.207 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 772 8.030 1.418 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 772 7.769 -0.262 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 772 9.231 0.166 -3.386 1.00 0.00 H new ATOM 507 N LYS A 773 8.884 -3.772 -7.079 1.00 0.00 N ATOM 508 CA LYS A 773 9.946 -4.758 -7.213 1.00 0.00 C ATOM 509 C LYS A 773 10.504 -5.109 -5.838 1.00 0.00 C ATOM 510 O LYS A 773 11.713 -5.261 -5.664 1.00 0.00 O ATOM 511 CB LYS A 773 11.063 -4.227 -8.114 1.00 0.00 C ATOM 512 CG LYS A 773 10.753 -4.338 -9.598 1.00 0.00 C ATOM 513 CD LYS A 773 11.465 -3.258 -10.398 1.00 0.00 C ATOM 514 CE LYS A 773 12.694 -3.806 -11.106 1.00 0.00 C ATOM 515 NZ LYS A 773 12.331 -4.719 -12.226 1.00 0.00 N ATOM 0 H LYS A 773 7.972 -4.079 -7.418 1.00 0.00 H new ATOM 0 HA LYS A 773 9.532 -5.656 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 773 11.251 -3.182 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 773 11.981 -4.775 -7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 773 11.055 -5.320 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 773 9.677 -4.258 -9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 773 10.779 -2.836 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 773 11.759 -2.446 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 773 13.290 -2.979 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 773 13.317 -4.341 -10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 773 13.140 -4.815 -12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 773 12.080 -5.653 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 773 11.519 -4.327 -12.744 1.00 0.00 H new ATOM 529 N ILE A 774 9.607 -5.236 -4.865 1.00 0.00 N ATOM 530 CA ILE A 774 10.001 -5.569 -3.499 1.00 0.00 C ATOM 531 C ILE A 774 9.516 -6.964 -3.128 1.00 0.00 C ATOM 532 O ILE A 774 8.982 -7.688 -3.969 1.00 0.00 O ATOM 533 CB ILE A 774 9.456 -4.547 -2.473 1.00 0.00 C ATOM 534 CG1 ILE A 774 7.946 -4.380 -2.627 1.00 0.00 C ATOM 535 CG2 ILE A 774 10.156 -3.210 -2.633 1.00 0.00 C ATOM 536 CD1 ILE A 774 7.327 -3.404 -1.645 1.00 0.00 C ATOM 0 H ILE A 774 8.603 -5.114 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 774 11.090 -5.537 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 774 9.658 -4.927 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 774 7.730 -4.044 -3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 774 7.469 -5.353 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 774 9.761 -2.503 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 774 11.226 -3.338 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 774 9.984 -2.828 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 774 6.253 -3.343 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 774 7.509 -3.748 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 774 7.774 -2.419 -1.781 1.00 0.00 H new ATOM 548 N GLY A 775 9.700 -7.338 -1.870 1.00 0.00 N ATOM 549 CA GLY A 775 9.271 -8.647 -1.417 1.00 0.00 C ATOM 550 C GLY A 775 7.848 -8.631 -0.901 1.00 0.00 C ATOM 551 O GLY A 775 7.382 -7.614 -0.390 1.00 0.00 O ATOM 0 H GLY A 775 10.139 -6.759 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 775 9.351 -9.359 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 775 9.939 -8.994 -0.628 1.00 0.00 H new ATOM 555 N TYR A 776 7.152 -9.755 -1.033 1.00 0.00 N ATOM 556 CA TYR A 776 5.773 -9.850 -0.570 1.00 0.00 C ATOM 557 C TYR A 776 5.669 -9.457 0.900 1.00 0.00 C ATOM 558 O TYR A 776 4.777 -8.706 1.293 1.00 0.00 O ATOM 559 CB TYR A 776 5.233 -11.267 -0.773 1.00 0.00 C ATOM 560 CG TYR A 776 3.815 -11.443 -0.281 1.00 0.00 C ATOM 561 CD1 TYR A 776 3.547 -11.603 1.071 1.00 0.00 C ATOM 562 CD2 TYR A 776 2.747 -11.443 -1.168 1.00 0.00 C ATOM 563 CE1 TYR A 776 2.254 -11.759 1.528 1.00 0.00 C ATOM 564 CE2 TYR A 776 1.449 -11.599 -0.719 1.00 0.00 C ATOM 565 CZ TYR A 776 1.208 -11.757 0.630 1.00 0.00 C ATOM 566 OH TYR A 776 -0.084 -11.912 1.081 1.00 0.00 O ATOM 0 H TYR A 776 7.518 -10.609 -1.455 1.00 0.00 H new ATOM 0 HA TYR A 776 5.171 -9.158 -1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 776 5.276 -11.516 -1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 776 5.881 -11.973 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 776 4.364 -11.606 1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 776 2.933 -11.319 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 776 2.063 -11.882 2.584 1.00 0.00 H new ATOM 0 HE2 TYR A 776 0.628 -11.597 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 776 -0.701 -11.886 0.320 1.00 0.00 H new ATOM 576 N ASN A 777 6.590 -9.971 1.706 1.00 0.00 N ATOM 577 CA ASN A 777 6.607 -9.675 3.132 1.00 0.00 C ATOM 578 C ASN A 777 6.861 -8.191 3.376 1.00 0.00 C ATOM 579 O ASN A 777 6.155 -7.552 4.155 1.00 0.00 O ATOM 580 CB ASN A 777 7.680 -10.510 3.834 1.00 0.00 C ATOM 581 CG ASN A 777 7.400 -11.997 3.751 1.00 0.00 C ATOM 582 OD1 ASN A 777 7.453 -12.591 2.674 1.00 0.00 O ATOM 583 ND2 ASN A 777 7.098 -12.608 4.892 1.00 0.00 N ATOM 0 H ASN A 777 7.335 -10.595 1.396 1.00 0.00 H new ATOM 0 HA ASN A 777 5.630 -9.931 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 777 8.651 -10.300 3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 777 7.741 -10.212 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 777 6.899 -13.608 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 777 7.065 -12.077 5.762 1.00 0.00 H new ATOM 590 N ARG A 778 7.870 -7.642 2.703 1.00 0.00 N ATOM 591 CA ARG A 778 8.210 -6.234 2.850 1.00 0.00 C ATOM 592 C ARG A 778 7.034 -5.350 2.447 1.00 0.00 C ATOM 593 O ARG A 778 6.633 -4.453 3.189 1.00 0.00 O ATOM 594 CB ARG A 778 9.441 -5.908 2.004 1.00 0.00 C ATOM 595 CG ARG A 778 9.714 -4.422 1.860 1.00 0.00 C ATOM 596 CD ARG A 778 10.879 -4.164 0.922 1.00 0.00 C ATOM 597 NE ARG A 778 11.796 -3.152 1.450 1.00 0.00 N ATOM 598 CZ ARG A 778 12.994 -3.424 1.968 1.00 0.00 C ATOM 599 NH1 ARG A 778 13.427 -4.677 2.050 1.00 0.00 N ATOM 600 NH2 ARG A 778 13.761 -2.436 2.408 1.00 0.00 N ATOM 0 H ARG A 778 8.465 -8.153 2.051 1.00 0.00 H new ATOM 0 HA ARG A 778 8.437 -6.035 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 778 10.313 -6.386 2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 778 9.313 -6.341 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 778 8.823 -3.921 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 778 9.930 -3.993 2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 778 11.423 -5.094 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 778 10.499 -3.839 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 778 11.499 -2.177 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 778 12.841 -5.442 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 778 14.345 -4.874 2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 778 13.434 -1.472 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 778 14.678 -2.640 2.805 1.00 0.00 H new ATOM 614 N ALA A 779 6.482 -5.618 1.271 1.00 0.00 N ATOM 615 CA ALA A 779 5.344 -4.858 0.769 1.00 0.00 C ATOM 616 C ALA A 779 4.196 -4.900 1.773 1.00 0.00 C ATOM 617 O ALA A 779 3.624 -3.868 2.120 1.00 0.00 O ATOM 618 CB ALA A 779 4.900 -5.399 -0.582 1.00 0.00 C ATOM 0 H ALA A 779 6.804 -6.357 0.646 1.00 0.00 H new ATOM 0 HA ALA A 779 5.647 -3.819 0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 779 4.049 -4.821 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 779 5.722 -5.319 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 779 4.610 -6.445 -0.478 1.00 0.00 H new ATOM 624 N ALA A 780 3.874 -6.104 2.244 1.00 0.00 N ATOM 625 CA ALA A 780 2.805 -6.289 3.219 1.00 0.00 C ATOM 626 C ALA A 780 3.048 -5.442 4.464 1.00 0.00 C ATOM 627 O ALA A 780 2.122 -4.830 4.996 1.00 0.00 O ATOM 628 CB ALA A 780 2.687 -7.757 3.599 1.00 0.00 C ATOM 0 H ALA A 780 4.341 -6.967 1.964 1.00 0.00 H new ATOM 0 HA ALA A 780 1.870 -5.964 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 780 1.886 -7.881 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 780 2.464 -8.346 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 780 3.627 -8.097 4.033 1.00 0.00 H new ATOM 634 N ARG A 781 4.298 -5.399 4.919 1.00 0.00 N ATOM 635 CA ARG A 781 4.649 -4.612 6.095 1.00 0.00 C ATOM 636 C ARG A 781 4.294 -3.150 5.859 1.00 0.00 C ATOM 637 O ARG A 781 3.659 -2.509 6.697 1.00 0.00 O ATOM 638 CB ARG A 781 6.141 -4.752 6.411 1.00 0.00 C ATOM 639 CG ARG A 781 6.531 -6.134 6.914 1.00 0.00 C ATOM 640 CD ARG A 781 7.699 -6.065 7.885 1.00 0.00 C ATOM 641 NE ARG A 781 8.972 -6.371 7.235 1.00 0.00 N ATOM 642 CZ ARG A 781 9.484 -7.597 7.133 1.00 0.00 C ATOM 643 NH1 ARG A 781 8.834 -8.643 7.628 1.00 0.00 N ATOM 644 NH2 ARG A 781 10.651 -7.778 6.529 1.00 0.00 N ATOM 0 H ARG A 781 5.080 -5.897 4.493 1.00 0.00 H new ATOM 0 HA ARG A 781 4.083 -4.984 6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 781 6.717 -4.526 5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 781 6.416 -4.011 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 781 5.676 -6.598 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 781 6.797 -6.768 6.068 1.00 0.00 H new ATOM 0 HD2 ARG A 781 7.747 -5.068 8.324 1.00 0.00 H new ATOM 0 HD3 ARG A 781 7.532 -6.766 8.703 1.00 0.00 H new ATOM 0 HE ARG A 781 9.502 -5.597 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 781 7.935 -8.512 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 781 9.234 -9.578 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 781 11.155 -6.979 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 781 11.044 -8.716 6.450 1.00 0.00 H new ATOM 658 N MET A 782 4.684 -2.636 4.696 1.00 0.00 N ATOM 659 CA MET A 782 4.379 -1.261 4.335 1.00 0.00 C ATOM 660 C MET A 782 2.872 -1.091 4.227 1.00 0.00 C ATOM 661 O MET A 782 2.303 -0.113 4.709 1.00 0.00 O ATOM 662 CB MET A 782 5.040 -0.895 3.004 1.00 0.00 C ATOM 663 CG MET A 782 6.559 -0.926 3.051 1.00 0.00 C ATOM 664 SD MET A 782 7.278 -1.858 1.686 1.00 0.00 S ATOM 665 CE MET A 782 7.139 -0.674 0.351 1.00 0.00 C ATOM 0 H MET A 782 5.210 -3.152 3.991 1.00 0.00 H new ATOM 0 HA MET A 782 4.769 -0.598 5.107 1.00 0.00 H new ATOM 0 HB2 MET A 782 4.694 -1.585 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 782 4.714 0.102 2.708 1.00 0.00 H new ATOM 0 HG2 MET A 782 6.940 0.095 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 782 6.880 -1.366 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 782 6.439 -1.048 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 782 6.777 0.276 0.744 1.00 0.00 H new ATOM 0 HE3 MET A 782 8.116 -0.528 -0.109 1.00 0.00 H new ATOM 675 N ILE A 783 2.230 -2.073 3.605 1.00 0.00 N ATOM 676 CA ILE A 783 0.785 -2.067 3.440 1.00 0.00 C ATOM 677 C ILE A 783 0.110 -1.976 4.809 1.00 0.00 C ATOM 678 O ILE A 783 -0.889 -1.272 4.981 1.00 0.00 O ATOM 679 CB ILE A 783 0.323 -3.332 2.676 1.00 0.00 C ATOM 680 CG1 ILE A 783 0.728 -3.236 1.200 1.00 0.00 C ATOM 681 CG2 ILE A 783 -1.176 -3.553 2.802 1.00 0.00 C ATOM 682 CD1 ILE A 783 -0.152 -2.309 0.377 1.00 0.00 C ATOM 0 H ILE A 783 2.694 -2.889 3.205 1.00 0.00 H new ATOM 0 HA ILE A 783 0.495 -1.197 2.851 1.00 0.00 H new ATOM 0 HB ILE A 783 0.819 -4.191 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 783 1.760 -2.890 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 783 0.699 -4.233 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 783 -1.459 -4.450 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 783 -1.439 -3.674 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 783 -1.706 -2.694 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 783 0.199 -2.295 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 783 -1.182 -2.665 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 783 -0.105 -1.301 0.790 1.00 0.00 H new ATOM 694 N GLU A 784 0.692 -2.654 5.794 1.00 0.00 N ATOM 695 CA GLU A 784 0.173 -2.606 7.154 1.00 0.00 C ATOM 696 C GLU A 784 0.262 -1.173 7.650 1.00 0.00 C ATOM 697 O GLU A 784 -0.694 -0.617 8.203 1.00 0.00 O ATOM 698 CB GLU A 784 0.981 -3.530 8.067 1.00 0.00 C ATOM 699 CG GLU A 784 0.230 -3.961 9.312 1.00 0.00 C ATOM 700 CD GLU A 784 0.555 -3.103 10.519 1.00 0.00 C ATOM 701 OE1 GLU A 784 1.699 -2.607 10.604 1.00 0.00 O ATOM 702 OE2 GLU A 784 -0.334 -2.926 11.377 1.00 0.00 O ATOM 0 H GLU A 784 1.519 -3.240 5.675 1.00 0.00 H new ATOM 0 HA GLU A 784 -0.864 -2.943 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 784 1.275 -4.416 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 784 1.899 -3.022 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 784 -0.842 -3.917 9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 784 0.471 -5.000 9.535 1.00 0.00 H new ATOM 709 N ALA A 785 1.421 -0.572 7.404 1.00 0.00 N ATOM 710 CA ALA A 785 1.666 0.811 7.772 1.00 0.00 C ATOM 711 C ALA A 785 0.638 1.711 7.106 1.00 0.00 C ATOM 712 O ALA A 785 0.228 2.723 7.666 1.00 0.00 O ATOM 713 CB ALA A 785 3.074 1.226 7.372 1.00 0.00 C ATOM 0 H ALA A 785 2.210 -1.029 6.947 1.00 0.00 H new ATOM 0 HA ALA A 785 1.575 0.910 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 785 3.241 2.265 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 785 3.799 0.590 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 785 3.192 1.120 6.294 1.00 0.00 H new ATOM 719 N MET A 786 0.223 1.326 5.901 1.00 0.00 N ATOM 720 CA MET A 786 -0.766 2.090 5.156 1.00 0.00 C ATOM 721 C MET A 786 -2.113 2.047 5.861 1.00 0.00 C ATOM 722 O MET A 786 -2.828 3.042 5.921 1.00 0.00 O ATOM 723 CB MET A 786 -0.907 1.549 3.733 1.00 0.00 C ATOM 724 CG MET A 786 0.091 2.144 2.761 1.00 0.00 C ATOM 725 SD MET A 786 -0.188 1.614 1.062 1.00 0.00 S ATOM 726 CE MET A 786 1.284 0.636 0.777 1.00 0.00 C ATOM 0 H MET A 786 0.558 0.490 5.423 1.00 0.00 H new ATOM 0 HA MET A 786 -0.426 3.124 5.105 1.00 0.00 H new ATOM 0 HB2 MET A 786 -0.785 0.466 3.750 1.00 0.00 H new ATOM 0 HB3 MET A 786 -1.916 1.750 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 786 0.036 3.231 2.811 1.00 0.00 H new ATOM 0 HG3 MET A 786 1.099 1.861 3.064 1.00 0.00 H new ATOM 0 HE1 MET A 786 1.169 0.065 -0.144 1.00 0.00 H new ATOM 0 HE2 MET A 786 2.148 1.295 0.690 1.00 0.00 H new ATOM 0 HE3 MET A 786 1.433 -0.049 1.612 1.00 0.00 H new ATOM 736 N GLU A 787 -2.456 0.886 6.399 1.00 0.00 N ATOM 737 CA GLU A 787 -3.721 0.733 7.106 1.00 0.00 C ATOM 738 C GLU A 787 -3.763 1.641 8.327 1.00 0.00 C ATOM 739 O GLU A 787 -4.726 2.378 8.539 1.00 0.00 O ATOM 740 CB GLU A 787 -3.927 -0.719 7.529 1.00 0.00 C ATOM 741 CG GLU A 787 -4.785 -1.506 6.558 1.00 0.00 C ATOM 742 CD GLU A 787 -5.861 -2.320 7.253 1.00 0.00 C ATOM 743 OE1 GLU A 787 -6.643 -1.730 8.027 1.00 0.00 O ATOM 744 OE2 GLU A 787 -5.922 -3.545 7.021 1.00 0.00 O ATOM 0 H GLU A 787 -1.883 0.043 6.361 1.00 0.00 H new ATOM 0 HA GLU A 787 -4.526 1.018 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 787 -2.956 -1.205 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 787 -4.391 -0.741 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 787 -5.253 -0.818 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 787 -4.149 -2.173 5.976 1.00 0.00 H new ATOM 751 N MET A 788 -2.708 1.578 9.124 1.00 0.00 N ATOM 752 CA MET A 788 -2.607 2.389 10.332 1.00 0.00 C ATOM 753 C MET A 788 -2.401 3.865 9.996 1.00 0.00 C ATOM 754 O MET A 788 -2.915 4.748 10.683 1.00 0.00 O ATOM 755 CB MET A 788 -1.450 1.891 11.196 1.00 0.00 C ATOM 756 CG MET A 788 -1.780 0.643 11.994 1.00 0.00 C ATOM 757 SD MET A 788 -0.693 0.419 13.415 1.00 0.00 S ATOM 758 CE MET A 788 0.914 0.561 12.638 1.00 0.00 C ATOM 0 H MET A 788 -1.905 0.972 8.957 1.00 0.00 H new ATOM 0 HA MET A 788 -3.544 2.293 10.881 1.00 0.00 H new ATOM 0 HB2 MET A 788 -0.592 1.686 10.556 1.00 0.00 H new ATOM 0 HB3 MET A 788 -1.154 2.684 11.883 1.00 0.00 H new ATOM 0 HG2 MET A 788 -2.813 0.699 12.337 1.00 0.00 H new ATOM 0 HG3 MET A 788 -1.706 -0.229 11.344 1.00 0.00 H new ATOM 0 HE1 MET A 788 1.679 0.170 13.309 1.00 0.00 H new ATOM 0 HE2 MET A 788 0.921 -0.009 11.709 1.00 0.00 H new ATOM 0 HE3 MET A 788 1.122 1.609 12.422 1.00 0.00 H new ATOM 768 N ALA A 789 -1.634 4.119 8.945 1.00 0.00 N ATOM 769 CA ALA A 789 -1.335 5.482 8.511 1.00 0.00 C ATOM 770 C ALA A 789 -2.548 6.166 7.890 1.00 0.00 C ATOM 771 O ALA A 789 -2.606 7.394 7.812 1.00 0.00 O ATOM 772 CB ALA A 789 -0.188 5.469 7.510 1.00 0.00 C ATOM 0 H ALA A 789 -1.203 3.394 8.371 1.00 0.00 H new ATOM 0 HA ALA A 789 -1.050 6.050 9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 789 0.029 6.489 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 789 0.698 5.039 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 789 -0.468 4.870 6.643 1.00 0.00 H new ATOM 778 N GLY A 790 -3.504 5.370 7.428 1.00 0.00 N ATOM 779 CA GLY A 790 -4.685 5.927 6.795 1.00 0.00 C ATOM 780 C GLY A 790 -4.513 6.045 5.293 1.00 0.00 C ATOM 781 O GLY A 790 -5.220 6.804 4.631 1.00 0.00 O ATOM 0 H GLY A 790 -3.484 4.352 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 790 -5.547 5.297 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 790 -4.894 6.911 7.216 1.00 0.00 H new ATOM 785 N VAL A 791 -3.560 5.286 4.762 1.00 0.00 N ATOM 786 CA VAL A 791 -3.266 5.283 3.339 1.00 0.00 C ATOM 787 C VAL A 791 -4.114 4.254 2.607 1.00 0.00 C ATOM 788 O VAL A 791 -4.461 4.439 1.441 1.00 0.00 O ATOM 789 CB VAL A 791 -1.777 4.988 3.092 1.00 0.00 C ATOM 790 CG1 VAL A 791 -1.462 4.982 1.605 1.00 0.00 C ATOM 791 CG2 VAL A 791 -0.913 6.002 3.823 1.00 0.00 C ATOM 0 H VAL A 791 -2.972 4.657 5.308 1.00 0.00 H new ATOM 0 HA VAL A 791 -3.504 6.274 2.953 1.00 0.00 H new ATOM 0 HB VAL A 791 -1.554 3.995 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -0.403 4.771 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -2.057 4.214 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -1.700 5.956 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 791 0.139 5.783 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -1.143 7.004 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -1.115 5.948 4.893 1.00 0.00 H new ATOM 801 N VAL A 792 -4.457 3.175 3.299 1.00 0.00 N ATOM 802 CA VAL A 792 -5.278 2.131 2.705 1.00 0.00 C ATOM 803 C VAL A 792 -6.313 1.606 3.690 1.00 0.00 C ATOM 804 O VAL A 792 -6.035 1.465 4.881 1.00 0.00 O ATOM 805 CB VAL A 792 -4.425 0.952 2.202 1.00 0.00 C ATOM 806 CG1 VAL A 792 -3.382 1.434 1.213 1.00 0.00 C ATOM 807 CG2 VAL A 792 -3.767 0.226 3.365 1.00 0.00 C ATOM 0 H VAL A 792 -4.181 3.001 4.266 1.00 0.00 H new ATOM 0 HA VAL A 792 -5.788 2.588 1.857 1.00 0.00 H new ATOM 0 HB VAL A 792 -5.083 0.248 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 792 -2.789 0.587 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 792 -3.877 1.901 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 792 -2.730 2.161 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 792 -3.170 -0.603 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 792 -3.124 0.918 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 792 -4.536 -0.158 4.036 1.00 0.00 H new ATOM 817 N THR A 793 -7.501 1.299 3.183 1.00 0.00 N ATOM 818 CA THR A 793 -8.564 0.766 4.021 1.00 0.00 C ATOM 819 C THR A 793 -8.399 -0.748 4.138 1.00 0.00 C ATOM 820 O THR A 793 -7.661 -1.352 3.360 1.00 0.00 O ATOM 821 CB THR A 793 -9.950 1.109 3.447 1.00 0.00 C ATOM 822 OG1 THR A 793 -10.381 0.110 2.541 1.00 0.00 O ATOM 823 CG2 THR A 793 -10.008 2.439 2.721 1.00 0.00 C ATOM 0 H THR A 793 -7.750 1.410 2.200 1.00 0.00 H new ATOM 0 HA THR A 793 -8.494 1.221 5.009 1.00 0.00 H new ATOM 0 HB THR A 793 -10.602 1.169 4.318 1.00 0.00 H new ATOM 0 HG1 THR A 793 -11.359 0.055 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 793 -11.018 2.606 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 793 -9.739 3.241 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 793 -9.309 2.428 1.885 1.00 0.00 H new ATOM 831 N PRO A 794 -9.074 -1.393 5.103 1.00 0.00 N ATOM 832 CA PRO A 794 -8.972 -2.843 5.285 1.00 0.00 C ATOM 833 C PRO A 794 -9.468 -3.609 4.062 1.00 0.00 C ATOM 834 O PRO A 794 -10.135 -3.048 3.194 1.00 0.00 O ATOM 835 CB PRO A 794 -9.865 -3.124 6.497 1.00 0.00 C ATOM 836 CG PRO A 794 -10.781 -1.954 6.573 1.00 0.00 C ATOM 837 CD PRO A 794 -9.983 -0.779 6.085 1.00 0.00 C ATOM 0 HA PRO A 794 -7.940 -3.164 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 794 -10.420 -4.054 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 794 -9.275 -3.225 7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 794 -11.666 -2.109 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 794 -11.128 -1.794 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 794 -10.618 -0.019 5.630 1.00 0.00 H new ATOM 0 HD3 PRO A 794 -9.437 -0.295 6.895 1.00 0.00 H new ATOM 845 N MET A 795 -9.129 -4.890 4.000 1.00 0.00 N ATOM 846 CA MET A 795 -9.529 -5.737 2.887 1.00 0.00 C ATOM 847 C MET A 795 -11.046 -5.785 2.744 1.00 0.00 C ATOM 848 O MET A 795 -11.779 -5.439 3.671 1.00 0.00 O ATOM 849 CB MET A 795 -8.979 -7.149 3.082 1.00 0.00 C ATOM 850 CG MET A 795 -7.514 -7.180 3.493 1.00 0.00 C ATOM 851 SD MET A 795 -6.468 -8.021 2.288 1.00 0.00 S ATOM 852 CE MET A 795 -5.190 -8.684 3.354 1.00 0.00 C ATOM 0 H MET A 795 -8.575 -5.366 4.712 1.00 0.00 H new ATOM 0 HA MET A 795 -9.117 -5.310 1.973 1.00 0.00 H new ATOM 0 HB2 MET A 795 -9.572 -7.659 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 795 -9.100 -7.708 2.154 1.00 0.00 H new ATOM 0 HG2 MET A 795 -7.157 -6.159 3.627 1.00 0.00 H new ATOM 0 HG3 MET A 795 -7.422 -7.679 4.458 1.00 0.00 H new ATOM 0 HE1 MET A 795 -4.465 -9.233 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 795 -4.688 -7.867 3.872 1.00 0.00 H new ATOM 0 HE3 MET A 795 -5.639 -9.356 4.086 1.00 0.00 H new ATOM 862 N ASN A 796 -11.509 -6.217 1.576 1.00 0.00 N ATOM 863 CA ASN A 796 -12.939 -6.314 1.305 1.00 0.00 C ATOM 864 C ASN A 796 -13.398 -7.768 1.340 1.00 0.00 C ATOM 865 O ASN A 796 -12.589 -8.680 1.510 1.00 0.00 O ATOM 866 CB ASN A 796 -13.265 -5.697 -0.056 1.00 0.00 C ATOM 867 CG ASN A 796 -13.311 -4.189 -0.012 1.00 0.00 C ATOM 868 OD1 ASN A 796 -13.577 -3.590 1.030 1.00 0.00 O ATOM 869 ND2 ASN A 796 -13.051 -3.565 -1.152 1.00 0.00 N ATOM 0 H ASN A 796 -10.913 -6.506 0.800 1.00 0.00 H new ATOM 0 HA ASN A 796 -13.470 -5.763 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 796 -12.517 -6.013 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 796 -14.226 -6.076 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN A 796 -13.066 -2.546 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 796 -12.835 -4.104 -1.991 1.00 0.00 H new ATOM 876 N THR A 797 -14.700 -7.977 1.178 1.00 0.00 N ATOM 877 CA THR A 797 -15.264 -9.321 1.190 1.00 0.00 C ATOM 878 C THR A 797 -14.718 -10.150 0.032 1.00 0.00 C ATOM 879 O THR A 797 -14.551 -11.365 0.148 1.00 0.00 O ATOM 880 CB THR A 797 -16.792 -9.258 1.117 1.00 0.00 C ATOM 881 OG1 THR A 797 -17.356 -10.543 1.306 1.00 0.00 O ATOM 882 CG2 THR A 797 -17.308 -8.718 -0.199 1.00 0.00 C ATOM 0 H THR A 797 -15.384 -7.233 1.037 1.00 0.00 H new ATOM 0 HA THR A 797 -14.974 -9.802 2.124 1.00 0.00 H new ATOM 0 HB THR A 797 -17.091 -8.575 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 797 -18.333 -10.482 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 797 -18.398 -8.700 -0.183 1.00 0.00 H new ATOM 0 HG22 THR A 797 -16.931 -7.706 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 797 -16.967 -9.358 -1.013 1.00 0.00 H new ATOM 890 N ASN A 798 -14.440 -9.486 -1.085 1.00 0.00 N ATOM 891 CA ASN A 798 -13.911 -10.159 -2.265 1.00 0.00 C ATOM 892 C ASN A 798 -12.406 -10.392 -2.141 1.00 0.00 C ATOM 893 O ASN A 798 -11.835 -11.209 -2.862 1.00 0.00 O ATOM 894 CB ASN A 798 -14.207 -9.337 -3.522 1.00 0.00 C ATOM 895 CG ASN A 798 -15.476 -9.774 -4.215 1.00 0.00 C ATOM 896 OD1 ASN A 798 -15.898 -10.925 -4.103 1.00 0.00 O ATOM 897 ND2 ASN A 798 -16.090 -8.851 -4.938 1.00 0.00 N ATOM 0 H ASN A 798 -14.573 -8.481 -1.198 1.00 0.00 H new ATOM 0 HA ASN A 798 -14.402 -11.129 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 798 -14.289 -8.284 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 798 -13.370 -9.425 -4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 798 -16.952 -9.081 -5.433 1.00 0.00 H new ATOM 0 HD22 ASN A 798 -15.701 -7.910 -5.000 1.00 0.00 H new ATOM 904 N GLY A 799 -11.768 -9.667 -1.226 1.00 0.00 N ATOM 905 CA GLY A 799 -10.338 -9.814 -1.032 1.00 0.00 C ATOM 906 C GLY A 799 -9.550 -8.685 -1.669 1.00 0.00 C ATOM 907 O GLY A 799 -8.401 -8.870 -2.069 1.00 0.00 O ATOM 0 H GLY A 799 -12.216 -8.982 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 799 -10.120 -9.848 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 799 -10.012 -10.765 -1.455 1.00 0.00 H new ATOM 911 N SER A 800 -10.171 -7.514 -1.764 1.00 0.00 N ATOM 912 CA SER A 800 -9.520 -6.351 -2.358 1.00 0.00 C ATOM 913 C SER A 800 -9.552 -5.162 -1.403 1.00 0.00 C ATOM 914 O SER A 800 -10.598 -4.821 -0.850 1.00 0.00 O ATOM 915 CB SER A 800 -10.197 -5.980 -3.678 1.00 0.00 C ATOM 916 OG SER A 800 -10.115 -7.044 -4.610 1.00 0.00 O ATOM 0 H SER A 800 -11.123 -7.345 -1.438 1.00 0.00 H new ATOM 0 HA SER A 800 -8.479 -6.609 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 800 -11.243 -5.731 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 800 -9.725 -5.090 -4.095 1.00 0.00 H new ATOM 0 HG SER A 800 -10.557 -6.782 -5.445 1.00 0.00 H new ATOM 922 N ARG A 801 -8.395 -4.538 -1.212 1.00 0.00 N ATOM 923 CA ARG A 801 -8.276 -3.388 -0.324 1.00 0.00 C ATOM 924 C ARG A 801 -8.656 -2.096 -1.033 1.00 0.00 C ATOM 925 O ARG A 801 -8.829 -2.066 -2.252 1.00 0.00 O ATOM 926 CB ARG A 801 -6.846 -3.269 0.198 1.00 0.00 C ATOM 927 CG ARG A 801 -6.599 -4.011 1.496 1.00 0.00 C ATOM 928 CD ARG A 801 -5.130 -4.376 1.643 1.00 0.00 C ATOM 929 NE ARG A 801 -4.782 -4.724 3.017 1.00 0.00 N ATOM 930 CZ ARG A 801 -4.112 -3.923 3.846 1.00 0.00 C ATOM 931 NH1 ARG A 801 -3.755 -2.696 3.470 1.00 0.00 N ATOM 932 NH2 ARG A 801 -3.809 -4.353 5.064 1.00 0.00 N ATOM 0 H ARG A 801 -7.522 -4.811 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 801 -8.963 -3.545 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 801 -6.161 -3.647 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 801 -6.610 -2.215 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 801 -6.910 -3.392 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 801 -7.207 -4.915 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 801 -4.899 -5.216 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 801 -4.515 -3.538 1.316 1.00 0.00 H new ATOM 0 HE ARG A 801 -5.070 -5.638 3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 801 -3.994 -2.359 2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 801 -3.243 -2.094 4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 801 -4.088 -5.289 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 801 -3.297 -3.748 5.706 1.00 0.00 H new ATOM 946 N GLU A 802 -8.763 -1.028 -0.255 1.00 0.00 N ATOM 947 CA GLU A 802 -9.098 0.285 -0.790 1.00 0.00 C ATOM 948 C GLU A 802 -8.101 1.324 -0.285 1.00 0.00 C ATOM 949 O GLU A 802 -7.315 1.048 0.621 1.00 0.00 O ATOM 950 CB GLU A 802 -10.525 0.675 -0.400 1.00 0.00 C ATOM 951 CG GLU A 802 -11.520 0.550 -1.541 1.00 0.00 C ATOM 952 CD GLU A 802 -12.884 1.114 -1.195 1.00 0.00 C ATOM 953 OE1 GLU A 802 -13.388 0.812 -0.093 1.00 0.00 O ATOM 954 OE2 GLU A 802 -13.447 1.859 -2.024 1.00 0.00 O ATOM 0 H GLU A 802 -8.622 -1.045 0.755 1.00 0.00 H new ATOM 0 HA GLU A 802 -9.042 0.246 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 802 -10.852 0.045 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 802 -10.526 1.703 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 802 -11.129 1.068 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 802 -11.624 -0.500 -1.813 1.00 0.00 H new ATOM 961 N VAL A 803 -8.123 2.511 -0.880 1.00 0.00 N ATOM 962 CA VAL A 803 -7.200 3.570 -0.487 1.00 0.00 C ATOM 963 C VAL A 803 -7.905 4.697 0.257 1.00 0.00 C ATOM 964 O VAL A 803 -8.999 5.118 -0.119 1.00 0.00 O ATOM 965 CB VAL A 803 -6.479 4.169 -1.707 1.00 0.00 C ATOM 966 CG1 VAL A 803 -5.328 5.056 -1.254 1.00 0.00 C ATOM 967 CG2 VAL A 803 -5.984 3.071 -2.634 1.00 0.00 C ATOM 0 H VAL A 803 -8.765 2.764 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 803 -6.474 3.103 0.178 1.00 0.00 H new ATOM 0 HB VAL A 803 -7.189 4.781 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 803 -4.826 5.474 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 803 -5.714 5.866 -0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 803 -4.618 4.464 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 803 -5.478 3.518 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 803 -5.288 2.427 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 803 -6.831 2.479 -2.982 1.00 0.00 H new ATOM 977 N ILE A 804 -7.254 5.198 1.303 1.00 0.00 N ATOM 978 CA ILE A 804 -7.799 6.297 2.093 1.00 0.00 C ATOM 979 C ILE A 804 -6.977 7.565 1.881 1.00 0.00 C ATOM 980 O ILE A 804 -7.491 8.677 2.003 1.00 0.00 O ATOM 981 CB ILE A 804 -7.849 5.978 3.609 1.00 0.00 C ATOM 982 CG1 ILE A 804 -7.150 4.652 3.924 1.00 0.00 C ATOM 983 CG2 ILE A 804 -9.289 5.953 4.095 1.00 0.00 C ATOM 984 CD1 ILE A 804 -7.211 4.267 5.388 1.00 0.00 C ATOM 0 H ILE A 804 -6.347 4.859 1.623 1.00 0.00 H new ATOM 0 HA ILE A 804 -8.822 6.446 1.747 1.00 0.00 H new ATOM 0 HB ILE A 804 -7.314 6.767 4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 804 -7.606 3.860 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 804 -6.106 4.720 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 804 -9.309 5.728 5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 804 -9.749 6.926 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 804 -9.843 5.187 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 804 -6.696 3.318 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 804 -6.729 5.039 5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 804 -8.252 4.167 5.695 1.00 0.00 H new ATOM 996 N ALA A 805 -5.696 7.391 1.563 1.00 0.00 N ATOM 997 CA ALA A 805 -4.805 8.523 1.337 1.00 0.00 C ATOM 998 C ALA A 805 -5.030 9.132 -0.047 1.00 0.00 C ATOM 999 O ALA A 805 -4.886 8.450 -1.062 1.00 0.00 O ATOM 1000 CB ALA A 805 -3.351 8.096 1.491 1.00 0.00 C ATOM 0 H ALA A 805 -5.254 6.478 1.457 1.00 0.00 H new ATOM 0 HA ALA A 805 -5.031 9.282 2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 805 -2.700 8.953 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 805 -3.189 7.714 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 805 -3.122 7.315 0.766 1.00 0.00 H new ATOM 1006 N PRO A 806 -5.386 10.428 -0.109 1.00 0.00 N ATOM 1007 CA PRO A 806 -5.630 11.123 -1.376 1.00 0.00 C ATOM 1008 C PRO A 806 -4.504 10.935 -2.381 1.00 0.00 C ATOM 1009 O PRO A 806 -3.399 10.523 -2.031 1.00 0.00 O ATOM 1010 CB PRO A 806 -5.724 12.588 -0.964 1.00 0.00 C ATOM 1011 CG PRO A 806 -6.229 12.535 0.430 1.00 0.00 C ATOM 1012 CD PRO A 806 -5.588 11.323 1.047 1.00 0.00 C ATOM 0 HA PRO A 806 -6.520 10.741 -1.875 1.00 0.00 H new ATOM 0 HB2 PRO A 806 -4.754 13.081 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 806 -6.401 13.143 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 806 -5.964 13.440 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 806 -7.316 12.457 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 806 -4.645 11.570 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 806 -6.229 10.868 1.802 1.00 0.00 H new ATOM 1020 N ALA A 807 -4.802 11.247 -3.632 1.00 0.00 N ATOM 1021 CA ALA A 807 -3.827 11.124 -4.709 1.00 0.00 C ATOM 1022 C ALA A 807 -3.289 12.493 -5.119 1.00 0.00 C ATOM 1023 O ALA A 807 -4.023 13.481 -5.117 1.00 0.00 O ATOM 1024 CB ALA A 807 -4.446 10.416 -5.905 1.00 0.00 C ATOM 0 H ALA A 807 -5.716 11.589 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 807 -2.991 10.528 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -3.706 10.332 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -4.775 9.420 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -5.301 10.988 -6.264 1.00 0.00 H new