USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.34 K(o=-0.34,f=-2.9!) USER MOD Single : A 7 GLN : amide:sc= -2.85 K(o=-2.8,f=-12!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.227 USER MOD Single : A 18 MET CE :methyl -167:sc= -0.175 (180deg=-0.705) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 170:sc= 0.19 USER MOD Single : A 46 MET CE :methyl 157:sc= -4.39! (180deg=-5.23!) USER MOD Single : A 48 MET CE :methyl -148:sc= 0 (180deg=-0.407) USER MOD Single : A 51 GLN :FLIP amide:sc= -9.62! C(o=-13!,f=-9.6!) USER MOD Single : A 52 ASN : amide:sc= 0.317 K(o=0.32,f=-4.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -90:sc= -0.918 USER MOD Single : A 81 MET CE :methyl 158:sc= -10.7! (180deg=-13!) USER MOD Single : A 82 MET CE :methyl -135:sc= -14.2! (180deg=-17.6!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.443 F(o=-1.1,f=-0.44) USER MOD Single : A 86 MET CE :methyl -156:sc= -0.238 (180deg=-1.75!) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000788) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.195 -5.199 -11.898 1.00 0.00 N ATOM 25 CA MET A 3 64.338 -4.530 -10.574 1.00 0.00 C ATOM 26 C MET A 3 63.042 -3.799 -10.210 1.00 0.00 C ATOM 27 O MET A 3 62.631 -3.777 -9.066 1.00 0.00 O ATOM 28 CB MET A 3 65.483 -3.534 -10.754 1.00 0.00 C ATOM 29 CG MET A 3 66.740 -4.071 -10.065 1.00 0.00 C ATOM 30 SD MET A 3 67.579 -2.719 -9.203 1.00 0.00 S ATOM 31 CE MET A 3 67.096 -3.187 -7.523 1.00 0.00 C ATOM 0 HA MET A 3 64.539 -5.240 -9.772 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.677 -3.374 -11.815 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.208 -2.568 -10.331 1.00 0.00 H new ATOM 0 HG2 MET A 3 66.473 -4.857 -9.358 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.408 -4.518 -10.801 1.00 0.00 H new ATOM 0 HE1 MET A 3 67.514 -2.474 -6.812 1.00 0.00 H new ATOM 0 HE2 MET A 3 66.009 -3.185 -7.443 1.00 0.00 H new ATOM 0 HE3 MET A 3 67.474 -4.185 -7.300 1.00 0.00 H new ATOM 41 N THR A 4 62.395 -3.203 -11.173 1.00 0.00 N ATOM 42 CA THR A 4 61.127 -2.477 -10.881 1.00 0.00 C ATOM 43 C THR A 4 60.138 -3.410 -10.177 1.00 0.00 C ATOM 44 O THR A 4 59.220 -2.971 -9.514 1.00 0.00 O ATOM 45 CB THR A 4 60.588 -2.048 -12.246 1.00 0.00 C ATOM 46 OG1 THR A 4 59.545 -1.100 -12.065 1.00 0.00 O ATOM 47 CG2 THR A 4 60.046 -3.268 -12.992 1.00 0.00 C ATOM 0 H THR A 4 62.689 -3.187 -12.149 1.00 0.00 H new ATOM 0 HA THR A 4 61.281 -1.622 -10.222 1.00 0.00 H new ATOM 0 HB THR A 4 61.393 -1.598 -12.828 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.199 -0.823 -12.939 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.663 -2.959 -13.964 1.00 0.00 H new ATOM 0 HG22 THR A 4 60.847 -3.994 -13.132 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.242 -3.721 -12.412 1.00 0.00 H new ATOM 55 N ASP A 5 60.319 -4.695 -10.314 1.00 0.00 N ATOM 56 CA ASP A 5 59.390 -5.655 -9.651 1.00 0.00 C ATOM 57 C ASP A 5 59.800 -5.857 -8.189 1.00 0.00 C ATOM 58 O ASP A 5 59.039 -5.598 -7.279 1.00 0.00 O ATOM 59 CB ASP A 5 59.536 -6.960 -10.434 1.00 0.00 C ATOM 60 CG ASP A 5 58.651 -8.035 -9.803 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.069 -7.763 -8.766 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.570 -9.115 -10.365 1.00 0.00 O ATOM 0 H ASP A 5 61.070 -5.122 -10.856 1.00 0.00 H new ATOM 0 HA ASP A 5 58.360 -5.298 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.252 -6.806 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.577 -7.283 -10.432 1.00 0.00 H new ATOM 67 N GLN A 6 60.999 -6.319 -7.959 1.00 0.00 N ATOM 68 CA GLN A 6 61.459 -6.537 -6.558 1.00 0.00 C ATOM 69 C GLN A 6 61.194 -5.287 -5.716 1.00 0.00 C ATOM 70 O GLN A 6 61.121 -5.345 -4.505 1.00 0.00 O ATOM 71 CB GLN A 6 62.961 -6.799 -6.670 1.00 0.00 C ATOM 72 CG GLN A 6 63.220 -8.306 -6.638 1.00 0.00 C ATOM 73 CD GLN A 6 63.462 -8.813 -8.061 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.799 -8.046 -8.942 1.00 0.00 O ATOM 75 NE2 GLN A 6 63.302 -10.081 -8.325 1.00 0.00 N ATOM 0 H GLN A 6 61.680 -6.555 -8.681 1.00 0.00 H new ATOM 0 HA GLN A 6 60.937 -7.363 -6.075 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.347 -6.373 -7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.488 -6.311 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 6 64.085 -8.524 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.368 -8.823 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 6 63.019 -10.724 -7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 6 63.460 -10.429 -9.271 1.00 0.00 H new ATOM 84 N GLN A 7 61.051 -4.155 -6.350 1.00 0.00 N ATOM 85 CA GLN A 7 60.792 -2.899 -5.588 1.00 0.00 C ATOM 86 C GLN A 7 59.309 -2.801 -5.219 1.00 0.00 C ATOM 87 O GLN A 7 58.956 -2.429 -4.117 1.00 0.00 O ATOM 88 CB GLN A 7 61.183 -1.772 -6.545 1.00 0.00 C ATOM 89 CG GLN A 7 60.759 -0.427 -5.952 1.00 0.00 C ATOM 90 CD GLN A 7 59.489 0.062 -6.651 1.00 0.00 C ATOM 91 OE1 GLN A 7 58.442 0.152 -6.040 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.536 0.383 -7.914 1.00 0.00 N ATOM 0 H GLN A 7 61.102 -4.045 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 7 61.354 -2.856 -4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 7 62.260 -1.783 -6.716 1.00 0.00 H new ATOM 0 HB3 GLN A 7 60.705 -1.921 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 7 60.581 -0.530 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.558 0.304 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.414 0.308 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.694 0.709 -8.389 1.00 0.00 H new ATOM 101 N ALA A 8 58.436 -3.131 -6.131 1.00 0.00 N ATOM 102 CA ALA A 8 56.978 -3.054 -5.830 1.00 0.00 C ATOM 103 C ALA A 8 56.664 -3.789 -4.524 1.00 0.00 C ATOM 104 O ALA A 8 56.343 -3.182 -3.521 1.00 0.00 O ATOM 105 CB ALA A 8 56.295 -3.742 -7.011 1.00 0.00 C ATOM 0 H ALA A 8 58.669 -3.451 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 8 56.637 -2.027 -5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 8 55.215 -3.727 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.544 -3.216 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.638 -4.774 -7.079 1.00 0.00 H new ATOM 111 N GLU A 9 56.753 -5.092 -4.527 1.00 0.00 N ATOM 112 CA GLU A 9 56.457 -5.862 -3.283 1.00 0.00 C ATOM 113 C GLU A 9 57.501 -5.553 -2.206 1.00 0.00 C ATOM 114 O GLU A 9 57.354 -5.930 -1.061 1.00 0.00 O ATOM 115 CB GLU A 9 56.534 -7.331 -3.699 1.00 0.00 C ATOM 116 CG GLU A 9 55.200 -8.017 -3.405 1.00 0.00 C ATOM 117 CD GLU A 9 55.100 -9.310 -4.215 1.00 0.00 C ATOM 118 OE1 GLU A 9 55.607 -9.330 -5.325 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.520 -10.258 -3.713 1.00 0.00 O ATOM 0 H GLU A 9 57.017 -5.656 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 9 55.484 -5.608 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 9 56.767 -7.407 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.338 -7.831 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.119 -8.236 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.374 -7.352 -3.658 1.00 0.00 H new ATOM 126 N ALA A 10 58.554 -4.871 -2.564 1.00 0.00 N ATOM 127 CA ALA A 10 59.605 -4.539 -1.559 1.00 0.00 C ATOM 128 C ALA A 10 59.074 -3.512 -0.558 1.00 0.00 C ATOM 129 O ALA A 10 59.476 -3.483 0.588 1.00 0.00 O ATOM 130 CB ALA A 10 60.758 -3.948 -2.371 1.00 0.00 C ATOM 0 H ALA A 10 58.733 -4.529 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 10 59.916 -5.411 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.574 -3.677 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.110 -4.685 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.413 -3.060 -2.900 1.00 0.00 H new ATOM 136 N ARG A 11 58.176 -2.664 -0.980 1.00 0.00 N ATOM 137 CA ARG A 11 57.625 -1.637 -0.049 1.00 0.00 C ATOM 138 C ARG A 11 56.226 -2.051 0.411 1.00 0.00 C ATOM 139 O ARG A 11 55.824 -1.794 1.527 1.00 0.00 O ATOM 140 CB ARG A 11 57.544 -0.334 -0.856 1.00 0.00 C ATOM 141 CG ARG A 11 58.716 -0.223 -1.841 1.00 0.00 C ATOM 142 CD ARG A 11 58.168 -0.140 -3.268 1.00 0.00 C ATOM 143 NE ARG A 11 57.668 1.255 -3.404 1.00 0.00 N ATOM 144 CZ ARG A 11 56.690 1.520 -4.229 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.677 0.705 -4.319 1.00 0.00 N ATOM 146 NH2 ARG A 11 56.728 2.600 -4.960 1.00 0.00 N ATOM 0 H ARG A 11 57.800 -2.637 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 11 58.249 -1.522 0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.601 -0.298 -1.402 1.00 0.00 H new ATOM 0 HB3 ARG A 11 57.552 0.519 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 11 59.313 0.661 -1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 11 59.374 -1.086 -1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.944 -0.355 -4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 11 57.369 -0.864 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 11 58.088 2.004 -2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 11 55.648 -0.138 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.913 0.910 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 11 57.521 3.237 -4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 11 55.965 2.807 -5.604 1.00 0.00 H new ATOM 160 N ALA A 12 55.479 -2.685 -0.453 1.00 0.00 N ATOM 161 CA ALA A 12 54.100 -3.114 -0.082 1.00 0.00 C ATOM 162 C ALA A 12 54.143 -4.188 1.009 1.00 0.00 C ATOM 163 O ALA A 12 53.150 -4.475 1.646 1.00 0.00 O ATOM 164 CB ALA A 12 53.510 -3.681 -1.372 1.00 0.00 C ATOM 0 H ALA A 12 55.766 -2.925 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 12 53.506 -2.292 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.491 -4.022 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.500 -2.906 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.117 -4.520 -1.712 1.00 0.00 H new ATOM 170 N PHE A 13 55.283 -4.786 1.230 1.00 0.00 N ATOM 171 CA PHE A 13 55.372 -5.841 2.282 1.00 0.00 C ATOM 172 C PHE A 13 54.967 -5.268 3.646 1.00 0.00 C ATOM 173 O PHE A 13 54.715 -5.996 4.585 1.00 0.00 O ATOM 174 CB PHE A 13 56.838 -6.293 2.278 1.00 0.00 C ATOM 175 CG PHE A 13 57.694 -5.330 3.070 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.713 -3.969 2.739 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.475 -5.802 4.132 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.513 -3.082 3.470 1.00 0.00 C ATOM 179 CE2 PHE A 13 59.274 -4.916 4.864 1.00 0.00 C ATOM 180 CZ PHE A 13 59.293 -3.555 4.533 1.00 0.00 C ATOM 0 H PHE A 13 56.151 -4.592 0.732 1.00 0.00 H new ATOM 0 HA PHE A 13 54.700 -6.677 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 13 56.917 -7.293 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.203 -6.354 1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.111 -3.604 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.461 -6.851 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 13 58.529 -2.033 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.875 -5.281 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.909 -2.870 5.097 1.00 0.00 H new ATOM 190 N LEU A 14 54.893 -3.969 3.757 1.00 0.00 N ATOM 191 CA LEU A 14 54.494 -3.351 5.056 1.00 0.00 C ATOM 192 C LEU A 14 53.359 -2.349 4.831 1.00 0.00 C ATOM 193 O LEU A 14 52.842 -2.217 3.740 1.00 0.00 O ATOM 194 CB LEU A 14 55.747 -2.636 5.563 1.00 0.00 C ATOM 195 CG LEU A 14 56.705 -3.654 6.184 1.00 0.00 C ATOM 196 CD1 LEU A 14 57.863 -2.918 6.860 1.00 0.00 C ATOM 197 CD2 LEU A 14 55.959 -4.488 7.228 1.00 0.00 C ATOM 0 H LEU A 14 55.091 -3.309 3.005 1.00 0.00 H new ATOM 0 HA LEU A 14 54.134 -4.090 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.238 -2.115 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 14 55.474 -1.882 6.301 1.00 0.00 H new ATOM 0 HG LEU A 14 57.093 -4.308 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.546 -3.643 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.397 -2.322 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 57.473 -2.264 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 14 56.642 -5.213 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 14 55.571 -3.833 8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 55.132 -5.013 6.751 1.00 0.00 H new ATOM 209 N SER A 15 52.968 -1.639 5.855 1.00 0.00 N ATOM 210 CA SER A 15 51.867 -0.647 5.695 1.00 0.00 C ATOM 211 C SER A 15 52.430 0.688 5.200 1.00 0.00 C ATOM 212 O SER A 15 53.626 0.904 5.193 1.00 0.00 O ATOM 213 CB SER A 15 51.260 -0.487 7.090 1.00 0.00 C ATOM 214 OG SER A 15 52.100 -1.119 8.048 1.00 0.00 O ATOM 0 H SER A 15 53.363 -1.703 6.793 1.00 0.00 H new ATOM 0 HA SER A 15 51.124 -0.973 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.148 0.570 7.330 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.263 -0.928 7.117 1.00 0.00 H new ATOM 0 HG SER A 15 51.712 -1.015 8.942 1.00 0.00 H new ATOM 220 N GLU A 16 51.579 1.584 4.784 1.00 0.00 N ATOM 221 CA GLU A 16 52.067 2.904 4.289 1.00 0.00 C ATOM 222 C GLU A 16 52.730 3.684 5.428 1.00 0.00 C ATOM 223 O GLU A 16 53.343 4.711 5.214 1.00 0.00 O ATOM 224 CB GLU A 16 50.814 3.630 3.798 1.00 0.00 C ATOM 225 CG GLU A 16 51.186 5.044 3.350 1.00 0.00 C ATOM 226 CD GLU A 16 50.736 5.257 1.904 1.00 0.00 C ATOM 227 OE1 GLU A 16 49.928 4.473 1.433 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.207 6.200 1.290 1.00 0.00 O ATOM 0 H GLU A 16 50.567 1.461 4.765 1.00 0.00 H new ATOM 0 HA GLU A 16 52.813 2.800 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.364 3.082 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.070 3.673 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.713 5.779 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.263 5.191 3.432 1.00 0.00 H new ATOM 235 N GLU A 17 52.613 3.205 6.637 1.00 0.00 N ATOM 236 CA GLU A 17 53.238 3.922 7.786 1.00 0.00 C ATOM 237 C GLU A 17 54.756 3.716 7.775 1.00 0.00 C ATOM 238 O GLU A 17 55.520 4.660 7.758 1.00 0.00 O ATOM 239 CB GLU A 17 52.620 3.288 9.032 1.00 0.00 C ATOM 240 CG GLU A 17 53.018 4.098 10.268 1.00 0.00 C ATOM 241 CD GLU A 17 54.159 3.388 10.998 1.00 0.00 C ATOM 242 OE1 GLU A 17 55.019 2.843 10.325 1.00 0.00 O ATOM 243 OE2 GLU A 17 54.155 3.401 12.218 1.00 0.00 O ATOM 0 H GLU A 17 52.113 2.350 6.879 1.00 0.00 H new ATOM 0 HA GLU A 17 53.063 4.997 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.534 3.258 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.959 2.257 9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.328 5.101 9.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.162 4.211 10.933 1.00 0.00 H new ATOM 250 N MET A 18 55.195 2.488 7.783 1.00 0.00 N ATOM 251 CA MET A 18 56.662 2.221 7.772 1.00 0.00 C ATOM 252 C MET A 18 57.321 2.942 6.594 1.00 0.00 C ATOM 253 O MET A 18 58.372 3.539 6.727 1.00 0.00 O ATOM 254 CB MET A 18 56.788 0.706 7.611 1.00 0.00 C ATOM 255 CG MET A 18 58.266 0.314 7.592 1.00 0.00 C ATOM 256 SD MET A 18 58.665 -0.611 9.096 1.00 0.00 S ATOM 257 CE MET A 18 58.428 0.747 10.267 1.00 0.00 C ATOM 0 H MET A 18 54.602 1.658 7.797 1.00 0.00 H new ATOM 0 HA MET A 18 57.153 2.577 8.678 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.277 0.199 8.430 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.305 0.387 6.688 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.481 -0.292 6.712 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.889 1.206 7.525 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.842 0.468 11.236 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.936 1.638 9.898 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.363 0.954 10.373 1.00 0.00 H new ATOM 267 N ILE A 19 56.712 2.893 5.441 1.00 0.00 N ATOM 268 CA ILE A 19 57.304 3.576 4.255 1.00 0.00 C ATOM 269 C ILE A 19 57.724 5.001 4.622 1.00 0.00 C ATOM 270 O ILE A 19 58.804 5.446 4.285 1.00 0.00 O ATOM 271 CB ILE A 19 56.187 3.599 3.213 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.002 2.194 2.634 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.558 4.567 2.089 1.00 0.00 C ATOM 274 CD1 ILE A 19 54.955 2.234 1.519 1.00 0.00 C ATOM 0 H ILE A 19 55.830 2.410 5.269 1.00 0.00 H new ATOM 0 HA ILE A 19 58.195 3.067 3.887 1.00 0.00 H new ATOM 0 HB ILE A 19 55.259 3.925 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.950 1.822 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.688 1.505 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.761 4.584 1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.692 5.568 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.486 4.241 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.824 1.233 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.006 2.587 1.923 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.288 2.910 0.731 1.00 0.00 H new ATOM 286 N ALA A 20 56.880 5.721 5.310 1.00 0.00 N ATOM 287 CA ALA A 20 57.232 7.117 5.697 1.00 0.00 C ATOM 288 C ALA A 20 58.378 7.111 6.715 1.00 0.00 C ATOM 289 O ALA A 20 59.207 7.998 6.736 1.00 0.00 O ATOM 290 CB ALA A 20 55.960 7.687 6.325 1.00 0.00 C ATOM 0 H ALA A 20 55.962 5.403 5.621 1.00 0.00 H new ATOM 0 HA ALA A 20 57.567 7.710 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.138 8.716 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.152 7.664 5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.682 7.088 7.192 1.00 0.00 H new ATOM 296 N GLU A 21 58.431 6.115 7.557 1.00 0.00 N ATOM 297 CA GLU A 21 59.522 6.051 8.570 1.00 0.00 C ATOM 298 C GLU A 21 60.886 6.007 7.875 1.00 0.00 C ATOM 299 O GLU A 21 61.777 6.772 8.188 1.00 0.00 O ATOM 300 CB GLU A 21 59.271 4.756 9.342 1.00 0.00 C ATOM 301 CG GLU A 21 60.452 4.480 10.276 1.00 0.00 C ATOM 302 CD GLU A 21 60.009 4.657 11.728 1.00 0.00 C ATOM 303 OE1 GLU A 21 60.092 5.769 12.222 1.00 0.00 O ATOM 304 OE2 GLU A 21 59.593 3.676 12.324 1.00 0.00 O ATOM 0 H GLU A 21 57.765 5.343 7.587 1.00 0.00 H new ATOM 0 HA GLU A 21 59.528 6.921 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.349 4.837 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.141 3.926 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.824 3.467 10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.274 5.160 10.050 1.00 0.00 H new ATOM 311 N PHE A 22 61.056 5.119 6.934 1.00 0.00 N ATOM 312 CA PHE A 22 62.363 5.028 6.221 1.00 0.00 C ATOM 313 C PHE A 22 62.695 6.366 5.555 1.00 0.00 C ATOM 314 O PHE A 22 63.826 6.812 5.566 1.00 0.00 O ATOM 315 CB PHE A 22 62.164 3.938 5.165 1.00 0.00 C ATOM 316 CG PHE A 22 61.811 2.623 5.831 1.00 0.00 C ATOM 317 CD1 PHE A 22 61.867 2.496 7.226 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.426 1.528 5.046 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.538 1.277 7.833 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.097 0.311 5.654 1.00 0.00 C ATOM 321 CZ PHE A 22 61.154 0.185 7.046 1.00 0.00 C ATOM 0 H PHE A 22 60.347 4.453 6.628 1.00 0.00 H new ATOM 0 HA PHE A 22 63.187 4.796 6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.371 4.229 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.073 3.823 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.164 3.338 7.833 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.383 1.623 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.581 1.180 8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.799 -0.532 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 22 60.902 -0.755 7.514 1.00 0.00 H new ATOM 331 N LYS A 23 61.720 7.008 4.972 1.00 0.00 N ATOM 332 CA LYS A 23 61.981 8.316 4.304 1.00 0.00 C ATOM 333 C LYS A 23 62.895 9.183 5.176 1.00 0.00 C ATOM 334 O LYS A 23 64.032 9.438 4.835 1.00 0.00 O ATOM 335 CB LYS A 23 60.604 8.965 4.154 1.00 0.00 C ATOM 336 CG LYS A 23 60.554 9.760 2.848 1.00 0.00 C ATOM 337 CD LYS A 23 60.785 8.816 1.666 1.00 0.00 C ATOM 338 CE LYS A 23 60.363 9.509 0.368 1.00 0.00 C ATOM 339 NZ LYS A 23 61.634 9.994 -0.239 1.00 0.00 N ATOM 0 H LYS A 23 60.754 6.684 4.929 1.00 0.00 H new ATOM 0 HA LYS A 23 62.482 8.197 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.828 8.200 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.406 9.623 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.588 10.255 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.314 10.542 2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.836 8.532 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.213 7.898 1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.845 8.819 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.679 10.335 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 61.427 10.481 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 62.101 10.654 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 62.262 9.185 -0.422 1.00 0.00 H new ATOM 353 N ALA A 24 62.406 9.638 6.297 1.00 0.00 N ATOM 354 CA ALA A 24 63.251 10.486 7.185 1.00 0.00 C ATOM 355 C ALA A 24 64.652 9.882 7.315 1.00 0.00 C ATOM 356 O ALA A 24 65.647 10.545 7.101 1.00 0.00 O ATOM 357 CB ALA A 24 62.537 10.482 8.537 1.00 0.00 C ATOM 0 H ALA A 24 61.461 9.460 6.636 1.00 0.00 H new ATOM 0 HA ALA A 24 63.375 11.496 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 24 63.100 11.087 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.536 10.896 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.466 9.459 8.908 1.00 0.00 H new ATOM 363 N ALA A 25 64.735 8.626 7.659 1.00 0.00 N ATOM 364 CA ALA A 25 66.070 7.977 7.799 1.00 0.00 C ATOM 365 C ALA A 25 66.867 8.124 6.501 1.00 0.00 C ATOM 366 O ALA A 25 68.023 8.498 6.508 1.00 0.00 O ATOM 367 CB ALA A 25 65.766 6.504 8.077 1.00 0.00 C ATOM 0 H ALA A 25 63.936 8.021 7.849 1.00 0.00 H new ATOM 0 HA ALA A 25 66.668 8.427 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.701 5.955 8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.180 6.420 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.201 6.086 7.244 1.00 0.00 H new ATOM 373 N PHE A 26 66.256 7.830 5.386 1.00 0.00 N ATOM 374 CA PHE A 26 66.976 7.951 4.086 1.00 0.00 C ATOM 375 C PHE A 26 67.242 9.423 3.758 1.00 0.00 C ATOM 376 O PHE A 26 68.250 9.765 3.171 1.00 0.00 O ATOM 377 CB PHE A 26 66.032 7.333 3.055 1.00 0.00 C ATOM 378 CG PHE A 26 66.769 7.142 1.753 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.797 8.174 0.807 1.00 0.00 C ATOM 380 CD2 PHE A 26 67.425 5.934 1.491 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.483 7.997 -0.400 1.00 0.00 C ATOM 382 CE2 PHE A 26 68.112 5.757 0.285 1.00 0.00 C ATOM 383 CZ PHE A 26 68.140 6.789 -0.661 1.00 0.00 C ATOM 0 H PHE A 26 65.289 7.511 5.319 1.00 0.00 H new ATOM 0 HA PHE A 26 67.946 7.453 4.104 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.657 6.376 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 26 65.167 7.979 2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 26 66.290 9.106 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 26 67.401 5.138 2.220 1.00 0.00 H new ATOM 0 HE1 PHE A 26 67.505 8.793 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 26 68.620 4.825 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 26 68.669 6.653 -1.593 1.00 0.00 H new ATOM 393 N ASP A 27 66.345 10.295 4.130 1.00 0.00 N ATOM 394 CA ASP A 27 66.548 11.744 3.836 1.00 0.00 C ATOM 395 C ASP A 27 67.702 12.300 4.675 1.00 0.00 C ATOM 396 O ASP A 27 68.101 13.436 4.522 1.00 0.00 O ATOM 397 CB ASP A 27 65.229 12.414 4.225 1.00 0.00 C ATOM 398 CG ASP A 27 64.744 13.294 3.071 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.301 12.743 2.077 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.826 14.505 3.202 1.00 0.00 O ATOM 0 H ASP A 27 65.482 10.068 4.624 1.00 0.00 H new ATOM 0 HA ASP A 27 66.804 11.922 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.480 11.658 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.366 13.016 5.123 1.00 0.00 H new ATOM 405 N MET A 28 68.241 11.506 5.561 1.00 0.00 N ATOM 406 CA MET A 28 69.368 11.993 6.407 1.00 0.00 C ATOM 407 C MET A 28 70.631 12.167 5.560 1.00 0.00 C ATOM 408 O MET A 28 71.519 12.922 5.901 1.00 0.00 O ATOM 409 CB MET A 28 69.575 10.900 7.457 1.00 0.00 C ATOM 410 CG MET A 28 68.324 10.787 8.329 1.00 0.00 C ATOM 411 SD MET A 28 68.752 11.162 10.047 1.00 0.00 S ATOM 412 CE MET A 28 68.003 9.693 10.793 1.00 0.00 C ATOM 0 H MET A 28 67.950 10.544 5.735 1.00 0.00 H new ATOM 0 HA MET A 28 69.154 12.961 6.860 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.779 9.947 6.970 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.442 11.134 8.075 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.557 11.476 7.975 1.00 0.00 H new ATOM 0 HG3 MET A 28 67.907 9.782 8.258 1.00 0.00 H new ATOM 0 HE1 MET A 28 68.151 9.718 11.873 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.935 9.677 10.573 1.00 0.00 H new ATOM 0 HE3 MET A 28 68.471 8.798 10.383 1.00 0.00 H new ATOM 422 N PHE A 29 70.721 11.470 4.460 1.00 0.00 N ATOM 423 CA PHE A 29 71.933 11.593 3.594 1.00 0.00 C ATOM 424 C PHE A 29 71.525 11.963 2.166 1.00 0.00 C ATOM 425 O PHE A 29 72.178 11.596 1.211 1.00 0.00 O ATOM 426 CB PHE A 29 72.600 10.211 3.608 1.00 0.00 C ATOM 427 CG PHE A 29 72.390 9.539 4.946 1.00 0.00 C ATOM 428 CD1 PHE A 29 73.313 9.731 5.982 1.00 0.00 C ATOM 429 CD2 PHE A 29 71.271 8.724 5.146 1.00 0.00 C ATOM 430 CE1 PHE A 29 73.113 9.107 7.220 1.00 0.00 C ATOM 431 CE2 PHE A 29 71.071 8.101 6.383 1.00 0.00 C ATOM 432 CZ PHE A 29 71.993 8.292 7.420 1.00 0.00 C ATOM 0 H PHE A 29 70.010 10.821 4.122 1.00 0.00 H new ATOM 0 HA PHE A 29 72.607 12.370 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.185 9.591 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.667 10.313 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 29 74.178 10.359 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 29 70.561 8.575 4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 29 73.823 9.255 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 29 70.206 7.473 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.840 7.810 8.374 1.00 0.00 H new ATOM 442 N ASP A 30 70.448 12.682 2.011 1.00 0.00 N ATOM 443 CA ASP A 30 70.004 13.065 0.640 1.00 0.00 C ATOM 444 C ASP A 30 71.037 13.983 -0.017 1.00 0.00 C ATOM 445 O ASP A 30 70.916 15.191 0.012 1.00 0.00 O ATOM 446 CB ASP A 30 68.681 13.803 0.843 1.00 0.00 C ATOM 447 CG ASP A 30 68.879 14.940 1.847 1.00 0.00 C ATOM 448 OD1 ASP A 30 69.350 14.665 2.938 1.00 0.00 O ATOM 449 OD2 ASP A 30 68.555 16.067 1.508 1.00 0.00 O ATOM 0 H ASP A 30 69.858 13.020 2.771 1.00 0.00 H new ATOM 0 HA ASP A 30 69.892 12.199 -0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.325 14.201 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.919 13.113 1.205 1.00 0.00 H new ATOM 490 N GLY A 35 65.744 11.777 -3.255 1.00 0.00 N ATOM 491 CA GLY A 35 65.796 10.986 -4.517 1.00 0.00 C ATOM 492 C GLY A 35 66.678 9.754 -4.309 1.00 0.00 C ATOM 493 O GLY A 35 66.271 8.637 -4.560 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.791 10.682 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 35 66.193 11.598 -5.327 1.00 0.00 H new ATOM 497 N ASP A 36 67.884 9.947 -3.848 1.00 0.00 N ATOM 498 CA ASP A 36 68.790 8.786 -3.621 1.00 0.00 C ATOM 499 C ASP A 36 70.064 9.243 -2.906 1.00 0.00 C ATOM 500 O ASP A 36 70.501 10.367 -3.053 1.00 0.00 O ATOM 501 CB ASP A 36 69.120 8.257 -5.018 1.00 0.00 C ATOM 502 CG ASP A 36 69.585 9.413 -5.905 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.744 10.195 -6.313 1.00 0.00 O ATOM 504 OD2 ASP A 36 70.775 9.494 -6.162 1.00 0.00 O ATOM 0 H ASP A 36 68.281 10.858 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 36 68.330 8.021 -2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.898 7.497 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 36 68.242 7.780 -5.454 1.00 0.00 H new ATOM 509 N ILE A 37 70.661 8.380 -2.131 1.00 0.00 N ATOM 510 CA ILE A 37 71.905 8.765 -1.407 1.00 0.00 C ATOM 511 C ILE A 37 73.128 8.149 -2.092 1.00 0.00 C ATOM 512 O ILE A 37 73.007 7.282 -2.935 1.00 0.00 O ATOM 513 CB ILE A 37 71.738 8.188 -0.002 1.00 0.00 C ATOM 514 CG1 ILE A 37 70.448 8.724 0.623 1.00 0.00 C ATOM 515 CG2 ILE A 37 72.932 8.598 0.859 1.00 0.00 C ATOM 516 CD1 ILE A 37 69.966 7.754 1.704 1.00 0.00 C ATOM 0 H ILE A 37 70.341 7.425 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 37 72.056 9.844 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 37 71.686 7.101 -0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.622 9.710 1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 37 69.682 8.842 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 37 72.815 8.188 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 37 73.850 8.214 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 37 72.983 9.685 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 37 69.047 8.134 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 37 69.776 6.778 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.731 7.658 2.474 1.00 0.00 H new ATOM 528 N SER A 38 74.305 8.584 -1.733 1.00 0.00 N ATOM 529 CA SER A 38 75.532 8.014 -2.362 1.00 0.00 C ATOM 530 C SER A 38 75.563 6.496 -2.170 1.00 0.00 C ATOM 531 O SER A 38 75.295 5.991 -1.098 1.00 0.00 O ATOM 532 CB SER A 38 76.698 8.672 -1.626 1.00 0.00 C ATOM 533 OG SER A 38 77.898 8.448 -2.354 1.00 0.00 O ATOM 0 H SER A 38 74.471 9.307 -1.033 1.00 0.00 H new ATOM 0 HA SER A 38 75.573 8.201 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.518 9.742 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.787 8.261 -0.620 1.00 0.00 H new ATOM 0 HG SER A 38 78.648 8.870 -1.886 1.00 0.00 H new ATOM 539 N THR A 39 75.884 5.763 -3.201 1.00 0.00 N ATOM 540 CA THR A 39 75.929 4.277 -3.075 1.00 0.00 C ATOM 541 C THR A 39 76.749 3.872 -1.847 1.00 0.00 C ATOM 542 O THR A 39 76.547 2.819 -1.274 1.00 0.00 O ATOM 543 CB THR A 39 76.607 3.791 -4.357 1.00 0.00 C ATOM 544 OG1 THR A 39 77.696 4.649 -4.669 1.00 0.00 O ATOM 545 CG2 THR A 39 75.599 3.805 -5.506 1.00 0.00 C ATOM 0 H THR A 39 76.117 6.128 -4.125 1.00 0.00 H new ATOM 0 HA THR A 39 74.937 3.844 -2.949 1.00 0.00 H new ATOM 0 HB THR A 39 76.974 2.775 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 78.133 4.338 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 39 76.083 3.459 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 39 74.764 3.147 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 39 75.230 4.820 -5.654 1.00 0.00 H new ATOM 553 N LYS A 40 77.673 4.697 -1.440 1.00 0.00 N ATOM 554 CA LYS A 40 78.505 4.354 -0.250 1.00 0.00 C ATOM 555 C LYS A 40 77.741 4.666 1.041 1.00 0.00 C ATOM 556 O LYS A 40 78.219 4.421 2.130 1.00 0.00 O ATOM 557 CB LYS A 40 79.743 5.243 -0.364 1.00 0.00 C ATOM 558 CG LYS A 40 80.996 4.367 -0.430 1.00 0.00 C ATOM 559 CD LYS A 40 82.093 4.976 0.446 1.00 0.00 C ATOM 560 CE LYS A 40 83.386 5.095 -0.363 1.00 0.00 C ATOM 561 NZ LYS A 40 84.458 4.618 0.554 1.00 0.00 N ATOM 0 H LYS A 40 77.889 5.593 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 40 78.762 3.295 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.675 5.867 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.801 5.915 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.765 3.357 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.342 4.286 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.784 5.958 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.258 4.354 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.343 4.490 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.563 6.124 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 85.377 4.670 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.480 5.217 1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 84.267 3.634 0.829 1.00 0.00 H new ATOM 575 N GLU A 41 76.559 5.206 0.926 1.00 0.00 N ATOM 576 CA GLU A 41 75.768 5.535 2.147 1.00 0.00 C ATOM 577 C GLU A 41 74.732 4.442 2.419 1.00 0.00 C ATOM 578 O GLU A 41 74.305 4.245 3.539 1.00 0.00 O ATOM 579 CB GLU A 41 75.076 6.857 1.820 1.00 0.00 C ATOM 580 CG GLU A 41 74.859 7.652 3.108 1.00 0.00 C ATOM 581 CD GLU A 41 76.211 7.978 3.742 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.148 8.223 3.000 1.00 0.00 O ATOM 583 OE2 GLU A 41 76.288 7.977 4.960 1.00 0.00 O ATOM 0 H GLU A 41 76.106 5.434 0.041 1.00 0.00 H new ATOM 0 HA GLU A 41 76.393 5.607 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.682 7.434 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.120 6.668 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.316 8.572 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.249 7.077 3.804 1.00 0.00 H new ATOM 590 N LEU A 42 74.321 3.734 1.400 1.00 0.00 N ATOM 591 CA LEU A 42 73.310 2.654 1.596 1.00 0.00 C ATOM 592 C LEU A 42 73.605 1.876 2.881 1.00 0.00 C ATOM 593 O LEU A 42 72.708 1.476 3.595 1.00 0.00 O ATOM 594 CB LEU A 42 73.457 1.750 0.373 1.00 0.00 C ATOM 595 CG LEU A 42 72.071 1.336 -0.124 1.00 0.00 C ATOM 596 CD1 LEU A 42 72.100 1.175 -1.645 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.676 0.005 0.521 1.00 0.00 C ATOM 0 H LEU A 42 74.642 3.857 0.440 1.00 0.00 H new ATOM 0 HA LEU A 42 72.298 3.048 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.997 2.273 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.042 0.867 0.628 1.00 0.00 H new ATOM 0 HG LEU A 42 71.345 2.103 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.112 0.880 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 42 72.383 2.122 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.826 0.409 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.688 -0.292 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.403 -0.761 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.655 0.118 1.605 1.00 0.00 H new ATOM 609 N GLY A 43 74.857 1.660 3.181 1.00 0.00 N ATOM 610 CA GLY A 43 75.205 0.912 4.422 1.00 0.00 C ATOM 611 C GLY A 43 74.830 1.752 5.643 1.00 0.00 C ATOM 612 O GLY A 43 74.414 1.236 6.660 1.00 0.00 O ATOM 0 H GLY A 43 75.652 1.969 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.676 -0.041 4.446 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.271 0.685 4.436 1.00 0.00 H new ATOM 616 N THR A 44 74.971 3.046 5.549 1.00 0.00 N ATOM 617 CA THR A 44 74.619 3.923 6.703 1.00 0.00 C ATOM 618 C THR A 44 73.103 3.922 6.918 1.00 0.00 C ATOM 619 O THR A 44 72.613 3.536 7.962 1.00 0.00 O ATOM 620 CB THR A 44 75.105 5.319 6.303 1.00 0.00 C ATOM 621 OG1 THR A 44 76.508 5.406 6.511 1.00 0.00 O ATOM 622 CG2 THR A 44 74.394 6.378 7.148 1.00 0.00 C ATOM 0 H THR A 44 75.315 3.535 4.722 1.00 0.00 H new ATOM 0 HA THR A 44 75.074 3.587 7.635 1.00 0.00 H new ATOM 0 HB THR A 44 74.880 5.492 5.251 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.848 6.231 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.744 7.369 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.318 6.311 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.613 6.209 8.202 1.00 0.00 H new ATOM 630 N VAL A 45 72.357 4.352 5.939 1.00 0.00 N ATOM 631 CA VAL A 45 70.875 4.380 6.086 1.00 0.00 C ATOM 632 C VAL A 45 70.385 3.074 6.716 1.00 0.00 C ATOM 633 O VAL A 45 69.690 3.076 7.712 1.00 0.00 O ATOM 634 CB VAL A 45 70.339 4.526 4.664 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.814 4.404 4.675 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.736 5.896 4.109 1.00 0.00 C ATOM 0 H VAL A 45 72.710 4.686 5.042 1.00 0.00 H new ATOM 0 HA VAL A 45 70.537 5.191 6.732 1.00 0.00 H new ATOM 0 HB VAL A 45 70.760 3.741 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.433 4.509 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.530 3.429 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.391 5.188 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 45 70.354 6.002 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 45 70.315 6.680 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.822 5.984 4.099 1.00 0.00 H new ATOM 646 N MET A 46 70.746 1.956 6.145 1.00 0.00 N ATOM 647 CA MET A 46 70.301 0.653 6.720 1.00 0.00 C ATOM 648 C MET A 46 70.615 0.609 8.217 1.00 0.00 C ATOM 649 O MET A 46 69.732 0.488 9.042 1.00 0.00 O ATOM 650 CB MET A 46 71.106 -0.409 5.973 1.00 0.00 C ATOM 651 CG MET A 46 70.622 -0.495 4.525 1.00 0.00 C ATOM 652 SD MET A 46 68.866 -0.931 4.500 1.00 0.00 S ATOM 653 CE MET A 46 69.074 -2.717 4.705 1.00 0.00 C ATOM 0 H MET A 46 71.327 1.888 5.309 1.00 0.00 H new ATOM 0 HA MET A 46 69.228 0.497 6.612 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.167 -0.160 5.998 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.994 -1.376 6.463 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.778 0.459 4.021 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.201 -1.241 3.981 1.00 0.00 H new ATOM 0 HE1 MET A 46 68.161 -3.145 5.118 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.282 -3.173 3.737 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.905 -2.911 5.383 1.00 0.00 H new ATOM 663 N ARG A 47 71.866 0.713 8.573 1.00 0.00 N ATOM 664 CA ARG A 47 72.233 0.681 10.017 1.00 0.00 C ATOM 665 C ARG A 47 71.512 1.807 10.760 1.00 0.00 C ATOM 666 O ARG A 47 71.070 1.642 11.880 1.00 0.00 O ATOM 667 CB ARG A 47 73.746 0.898 10.048 1.00 0.00 C ATOM 668 CG ARG A 47 74.456 -0.398 9.655 1.00 0.00 C ATOM 669 CD ARG A 47 75.955 -0.268 9.936 1.00 0.00 C ATOM 670 NE ARG A 47 76.270 -1.389 10.864 1.00 0.00 N ATOM 671 CZ ARG A 47 76.663 -1.136 12.083 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.909 -0.828 12.316 1.00 0.00 N ATOM 673 NH2 ARG A 47 75.808 -1.192 13.068 1.00 0.00 N ATOM 0 H ARG A 47 72.649 0.819 7.928 1.00 0.00 H new ATOM 0 HA ARG A 47 71.950 -0.255 10.499 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.023 1.699 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.059 1.209 11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.042 -1.236 10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.291 -0.609 8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.537 -0.341 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.190 0.696 10.387 1.00 0.00 H new ATOM 0 HE ARG A 47 76.179 -2.354 10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.576 -0.785 11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.216 -0.630 13.268 1.00 0.00 H new ATOM 0 HH21 ARG A 47 74.834 -1.433 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 47 76.114 -0.995 14.021 1.00 0.00 H new ATOM 687 N MET A 48 71.387 2.950 10.143 1.00 0.00 N ATOM 688 CA MET A 48 70.689 4.085 10.811 1.00 0.00 C ATOM 689 C MET A 48 69.200 3.764 10.959 1.00 0.00 C ATOM 690 O MET A 48 68.487 4.401 11.709 1.00 0.00 O ATOM 691 CB MET A 48 70.890 5.280 9.878 1.00 0.00 C ATOM 692 CG MET A 48 72.013 6.166 10.420 1.00 0.00 C ATOM 693 SD MET A 48 71.299 7.627 11.214 1.00 0.00 S ATOM 694 CE MET A 48 72.736 8.712 11.026 1.00 0.00 C ATOM 0 H MET A 48 71.738 3.147 9.206 1.00 0.00 H new ATOM 0 HA MET A 48 71.077 4.282 11.810 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.137 4.934 8.874 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.966 5.853 9.799 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.617 5.609 11.136 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.676 6.467 9.609 1.00 0.00 H new ATOM 0 HE1 MET A 48 72.781 9.405 11.866 1.00 0.00 H new ATOM 0 HE2 MET A 48 73.645 8.111 11.001 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.648 9.275 10.097 1.00 0.00 H new ATOM 704 N LEU A 49 68.726 2.776 10.249 1.00 0.00 N ATOM 705 CA LEU A 49 67.286 2.407 10.347 1.00 0.00 C ATOM 706 C LEU A 49 67.090 1.335 11.422 1.00 0.00 C ATOM 707 O LEU A 49 66.136 1.363 12.174 1.00 0.00 O ATOM 708 CB LEU A 49 66.922 1.857 8.968 1.00 0.00 C ATOM 709 CG LEU A 49 66.188 2.932 8.165 1.00 0.00 C ATOM 710 CD1 LEU A 49 67.023 3.319 6.943 1.00 0.00 C ATOM 711 CD2 LEU A 49 64.834 2.388 7.705 1.00 0.00 C ATOM 0 H LEU A 49 69.276 2.208 9.604 1.00 0.00 H new ATOM 0 HA LEU A 49 66.659 3.255 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.823 1.546 8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.293 0.973 9.072 1.00 0.00 H new ATOM 0 HG LEU A 49 66.034 3.811 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.499 4.085 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.988 3.707 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 49 67.178 2.441 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.310 3.153 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.989 1.509 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.238 2.114 8.575 1.00 0.00 H new ATOM 723 N GLY A 50 67.988 0.390 11.501 1.00 0.00 N ATOM 724 CA GLY A 50 67.852 -0.680 12.530 1.00 0.00 C ATOM 725 C GLY A 50 68.435 -1.990 11.995 1.00 0.00 C ATOM 726 O GLY A 50 68.669 -2.923 12.737 1.00 0.00 O ATOM 0 H GLY A 50 68.808 0.313 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.370 -0.387 13.443 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.802 -0.817 12.789 1.00 0.00 H new ATOM 730 N GLN A 51 68.673 -2.071 10.714 1.00 0.00 N ATOM 731 CA GLN A 51 69.241 -3.328 10.142 1.00 0.00 C ATOM 732 C GLN A 51 70.770 -3.244 10.109 1.00 0.00 C ATOM 733 O GLN A 51 71.364 -2.353 10.682 1.00 0.00 O ATOM 734 CB GLN A 51 68.676 -3.430 8.719 1.00 0.00 C ATOM 735 CG GLN A 51 67.230 -2.925 8.688 1.00 0.00 C ATOM 736 CD GLN A 51 66.454 -3.513 9.869 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.777 -4.692 10.325 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 65.544 -2.892 10.381 1.00 0.00 N flip ATOM 0 H GLN A 51 68.500 -1.325 10.040 1.00 0.00 H new ATOM 0 HA GLN A 51 68.978 -4.202 10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.289 -2.844 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.715 -4.464 8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.214 -1.836 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.755 -3.210 7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.292 -1.970 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.032 -3.292 11.167 1.00 0.00 H new ATOM 747 N ASN A 52 71.412 -4.166 9.443 1.00 0.00 N ATOM 748 CA ASN A 52 72.901 -4.135 9.379 1.00 0.00 C ATOM 749 C ASN A 52 73.400 -4.966 8.193 1.00 0.00 C ATOM 750 O ASN A 52 73.712 -6.131 8.338 1.00 0.00 O ATOM 751 CB ASN A 52 73.364 -4.750 10.699 1.00 0.00 C ATOM 752 CG ASN A 52 74.858 -5.069 10.619 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.678 -4.178 10.526 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.250 -6.315 10.651 1.00 0.00 N ATOM 0 H ASN A 52 70.971 -4.937 8.942 1.00 0.00 H new ATOM 0 HA ASN A 52 73.288 -3.125 9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 52 73.172 -4.060 11.521 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.798 -5.658 10.907 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.244 -6.539 10.598 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.562 -7.064 10.729 1.00 0.00 H new ATOM 761 N PRO A 53 73.457 -4.331 7.054 1.00 0.00 N ATOM 762 CA PRO A 53 73.923 -5.014 5.824 1.00 0.00 C ATOM 763 C PRO A 53 75.443 -5.191 5.858 1.00 0.00 C ATOM 764 O PRO A 53 76.189 -4.232 5.896 1.00 0.00 O ATOM 765 CB PRO A 53 73.514 -4.058 4.708 1.00 0.00 C ATOM 766 CG PRO A 53 73.434 -2.712 5.356 1.00 0.00 C ATOM 767 CD PRO A 53 73.097 -2.931 6.809 1.00 0.00 C ATOM 0 HA PRO A 53 73.502 -6.012 5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.244 -4.063 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.556 -4.345 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.381 -2.182 5.257 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.673 -2.098 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.659 -2.256 7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.040 -2.751 7.004 1.00 0.00 H new ATOM 775 N THR A 54 75.908 -6.409 5.847 1.00 0.00 N ATOM 776 CA THR A 54 77.380 -6.647 5.880 1.00 0.00 C ATOM 777 C THR A 54 78.050 -5.990 4.670 1.00 0.00 C ATOM 778 O THR A 54 77.507 -5.967 3.583 1.00 0.00 O ATOM 779 CB THR A 54 77.535 -8.167 5.823 1.00 0.00 C ATOM 780 OG1 THR A 54 76.773 -8.677 4.738 1.00 0.00 O ATOM 781 CG2 THR A 54 77.039 -8.781 7.132 1.00 0.00 C ATOM 0 H THR A 54 75.333 -7.251 5.817 1.00 0.00 H new ATOM 0 HA THR A 54 77.848 -6.223 6.768 1.00 0.00 H new ATOM 0 HB THR A 54 78.585 -8.422 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.872 -9.651 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.150 -9.865 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.624 -8.388 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.988 -8.529 7.277 1.00 0.00 H new ATOM 789 N LYS A 55 79.228 -5.456 4.849 1.00 0.00 N ATOM 790 CA LYS A 55 79.931 -4.803 3.708 1.00 0.00 C ATOM 791 C LYS A 55 79.818 -5.671 2.453 1.00 0.00 C ATOM 792 O LYS A 55 79.379 -5.222 1.413 1.00 0.00 O ATOM 793 CB LYS A 55 81.389 -4.689 4.153 1.00 0.00 C ATOM 794 CG LYS A 55 82.070 -3.549 3.393 1.00 0.00 C ATOM 795 CD LYS A 55 83.241 -3.010 4.218 1.00 0.00 C ATOM 796 CE LYS A 55 84.480 -2.883 3.328 1.00 0.00 C ATOM 797 NZ LYS A 55 85.486 -2.173 4.167 1.00 0.00 N ATOM 0 H LYS A 55 79.733 -5.444 5.735 1.00 0.00 H new ATOM 0 HA LYS A 55 79.504 -3.831 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.439 -4.505 5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.911 -5.627 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.426 -3.905 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.354 -2.751 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.984 -2.039 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.448 -3.678 5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.845 -3.862 3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.258 -2.323 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 86.365 -2.048 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.114 -1.242 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.683 -2.733 5.021 1.00 0.00 H new ATOM 811 N GLU A 56 80.211 -6.912 2.542 1.00 0.00 N ATOM 812 CA GLU A 56 80.125 -7.808 1.353 1.00 0.00 C ATOM 813 C GLU A 56 78.771 -7.636 0.659 1.00 0.00 C ATOM 814 O GLU A 56 78.680 -7.623 -0.552 1.00 0.00 O ATOM 815 CB GLU A 56 80.266 -9.223 1.913 1.00 0.00 C ATOM 816 CG GLU A 56 81.705 -9.706 1.725 1.00 0.00 C ATOM 817 CD GLU A 56 81.699 -11.165 1.263 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.826 -11.899 1.696 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.568 -11.524 0.486 1.00 0.00 O ATOM 0 H GLU A 56 80.588 -7.344 3.386 1.00 0.00 H new ATOM 0 HA GLU A 56 80.892 -7.586 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.003 -9.235 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.576 -9.897 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 56 82.216 -9.083 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.256 -9.612 2.661 1.00 0.00 H new ATOM 826 N GLU A 57 77.716 -7.505 1.418 1.00 0.00 N ATOM 827 CA GLU A 57 76.370 -7.334 0.800 1.00 0.00 C ATOM 828 C GLU A 57 76.252 -5.944 0.170 1.00 0.00 C ATOM 829 O GLU A 57 75.799 -5.795 -0.947 1.00 0.00 O ATOM 830 CB GLU A 57 75.381 -7.486 1.956 1.00 0.00 C ATOM 831 CG GLU A 57 74.987 -8.956 2.100 1.00 0.00 C ATOM 832 CD GLU A 57 73.773 -9.249 1.216 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.877 -9.052 0.017 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.760 -9.666 1.753 1.00 0.00 O ATOM 0 H GLU A 57 77.728 -7.509 2.438 1.00 0.00 H new ATOM 0 HA GLU A 57 76.183 -8.059 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.830 -7.126 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.495 -6.877 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.821 -9.597 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.755 -9.181 3.141 1.00 0.00 H new ATOM 841 N LEU A 58 76.660 -4.925 0.877 1.00 0.00 N ATOM 842 CA LEU A 58 76.571 -3.547 0.316 1.00 0.00 C ATOM 843 C LEU A 58 77.280 -3.488 -1.040 1.00 0.00 C ATOM 844 O LEU A 58 76.761 -2.953 -2.000 1.00 0.00 O ATOM 845 CB LEU A 58 77.281 -2.657 1.336 1.00 0.00 C ATOM 846 CG LEU A 58 76.521 -2.694 2.662 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.074 -1.617 3.598 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.036 -2.430 2.404 1.00 0.00 C ATOM 0 H LEU A 58 77.050 -4.987 1.817 1.00 0.00 H new ATOM 0 HA LEU A 58 75.541 -3.230 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.305 -2.999 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.337 -1.634 0.965 1.00 0.00 H new ATOM 0 HG LEU A 58 76.643 -3.674 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.532 -1.643 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.132 -1.803 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.952 -0.637 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.492 -2.456 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.915 -1.450 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.641 -3.196 1.737 1.00 0.00 H new ATOM 860 N ASP A 59 78.461 -4.036 -1.126 1.00 0.00 N ATOM 861 CA ASP A 59 79.201 -4.014 -2.420 1.00 0.00 C ATOM 862 C ASP A 59 78.422 -4.798 -3.481 1.00 0.00 C ATOM 863 O ASP A 59 78.490 -4.504 -4.659 1.00 0.00 O ATOM 864 CB ASP A 59 80.539 -4.693 -2.125 1.00 0.00 C ATOM 865 CG ASP A 59 81.329 -3.849 -1.123 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.975 -2.696 -0.941 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.274 -4.371 -0.555 1.00 0.00 O ATOM 0 H ASP A 59 78.946 -4.498 -0.357 1.00 0.00 H new ATOM 0 HA ASP A 59 79.336 -3.003 -2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.371 -5.692 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.110 -4.812 -3.046 1.00 0.00 H new ATOM 872 N ALA A 60 77.680 -5.790 -3.072 1.00 0.00 N ATOM 873 CA ALA A 60 76.895 -6.590 -4.055 1.00 0.00 C ATOM 874 C ALA A 60 75.657 -5.808 -4.495 1.00 0.00 C ATOM 875 O ALA A 60 75.353 -5.715 -5.669 1.00 0.00 O ATOM 876 CB ALA A 60 76.488 -7.856 -3.301 1.00 0.00 C ATOM 0 H ALA A 60 77.583 -6.082 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 60 77.466 -6.819 -4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.904 -8.500 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.381 -8.387 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.888 -7.585 -2.433 1.00 0.00 H new ATOM 882 N ILE A 61 74.941 -5.240 -3.563 1.00 0.00 N ATOM 883 CA ILE A 61 73.725 -4.461 -3.929 1.00 0.00 C ATOM 884 C ILE A 61 74.121 -3.197 -4.695 1.00 0.00 C ATOM 885 O ILE A 61 73.557 -2.881 -5.723 1.00 0.00 O ATOM 886 CB ILE A 61 73.069 -4.101 -2.596 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.698 -5.384 -1.849 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.805 -3.280 -2.856 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.043 -5.231 -0.367 1.00 0.00 C ATOM 0 H ILE A 61 75.146 -5.282 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 61 73.050 -5.024 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 61 73.765 -3.517 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.634 -5.591 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.236 -6.232 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.336 -3.023 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.068 -2.367 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.109 -3.865 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.778 -6.145 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.112 -5.045 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.485 -4.393 0.052 1.00 0.00 H new ATOM 901 N ILE A 62 75.091 -2.474 -4.206 1.00 0.00 N ATOM 902 CA ILE A 62 75.523 -1.236 -4.914 1.00 0.00 C ATOM 903 C ILE A 62 75.751 -1.538 -6.395 1.00 0.00 C ATOM 904 O ILE A 62 74.988 -1.130 -7.247 1.00 0.00 O ATOM 905 CB ILE A 62 76.831 -0.825 -4.241 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.531 -0.233 -2.862 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.541 0.223 -5.102 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.838 0.210 -2.200 1.00 0.00 C ATOM 0 H ILE A 62 75.602 -2.686 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 62 74.776 -0.444 -4.859 1.00 0.00 H new ATOM 0 HB ILE A 62 77.472 -1.699 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.854 0.616 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 62 76.028 -0.972 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.475 0.517 -4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.755 -0.198 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.900 1.097 -5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.624 0.632 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.499 -0.649 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.323 0.964 -2.820 1.00 0.00 H new ATOM 920 N GLU A 63 76.794 -2.258 -6.710 1.00 0.00 N ATOM 921 CA GLU A 63 77.063 -2.592 -8.136 1.00 0.00 C ATOM 922 C GLU A 63 75.762 -3.009 -8.826 1.00 0.00 C ATOM 923 O GLU A 63 75.533 -2.710 -9.981 1.00 0.00 O ATOM 924 CB GLU A 63 78.047 -3.759 -8.092 1.00 0.00 C ATOM 925 CG GLU A 63 79.058 -3.620 -9.231 1.00 0.00 C ATOM 926 CD GLU A 63 80.335 -4.384 -8.875 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.360 -4.999 -7.822 1.00 0.00 O ATOM 928 OE2 GLU A 63 81.266 -4.341 -9.662 1.00 0.00 O ATOM 0 H GLU A 63 77.470 -2.628 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 63 77.465 -1.746 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.564 -3.776 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.511 -4.704 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.635 -4.009 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.287 -2.568 -9.402 1.00 0.00 H new ATOM 935 N GLU A 64 74.903 -3.694 -8.119 1.00 0.00 N ATOM 936 CA GLU A 64 73.612 -4.126 -8.726 1.00 0.00 C ATOM 937 C GLU A 64 72.712 -2.908 -8.950 1.00 0.00 C ATOM 938 O GLU A 64 72.143 -2.728 -10.008 1.00 0.00 O ATOM 939 CB GLU A 64 72.996 -5.080 -7.697 1.00 0.00 C ATOM 940 CG GLU A 64 71.485 -5.187 -7.922 1.00 0.00 C ATOM 941 CD GLU A 64 70.957 -6.458 -7.256 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.055 -7.508 -7.867 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.463 -6.358 -6.144 1.00 0.00 O ATOM 0 H GLU A 64 75.040 -3.973 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 64 73.741 -4.607 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.455 -6.065 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.197 -4.720 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.983 -4.312 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.266 -5.206 -8.990 1.00 0.00 H new ATOM 950 N VAL A 65 72.580 -2.070 -7.958 1.00 0.00 N ATOM 951 CA VAL A 65 71.721 -0.862 -8.108 1.00 0.00 C ATOM 952 C VAL A 65 72.539 0.303 -8.670 1.00 0.00 C ATOM 953 O VAL A 65 72.046 1.402 -8.830 1.00 0.00 O ATOM 954 CB VAL A 65 71.237 -0.546 -6.693 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.682 -1.817 -6.048 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.411 -0.024 -5.860 1.00 0.00 C ATOM 0 H VAL A 65 73.031 -2.170 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 65 70.892 -1.026 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 65 70.454 0.211 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.337 -1.592 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.848 -2.192 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.465 -2.574 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.069 0.202 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.192 -0.783 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.809 0.881 -6.319 1.00 0.00 H new ATOM 966 N ASP A 66 73.788 0.071 -8.969 1.00 0.00 N ATOM 967 CA ASP A 66 74.640 1.163 -9.519 1.00 0.00 C ATOM 968 C ASP A 66 74.682 1.083 -11.048 1.00 0.00 C ATOM 969 O ASP A 66 74.760 2.085 -11.730 1.00 0.00 O ATOM 970 CB ASP A 66 76.029 0.913 -8.930 1.00 0.00 C ATOM 971 CG ASP A 66 76.994 1.995 -9.420 1.00 0.00 C ATOM 972 OD1 ASP A 66 76.984 3.073 -8.848 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.727 1.727 -10.357 1.00 0.00 O ATOM 0 H ASP A 66 74.256 -0.828 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 66 74.260 2.152 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.980 0.920 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.389 -0.072 -9.227 1.00 0.00 H new ATOM 1030 N THR A 72 73.100 6.602 -7.925 1.00 0.00 N ATOM 1031 CA THR A 72 73.186 5.747 -6.708 1.00 0.00 C ATOM 1032 C THR A 72 71.929 4.881 -6.581 1.00 0.00 C ATOM 1033 O THR A 72 71.431 4.352 -7.555 1.00 0.00 O ATOM 1034 CB THR A 72 73.284 6.731 -5.540 1.00 0.00 C ATOM 1035 OG1 THR A 72 72.020 7.344 -5.333 1.00 0.00 O ATOM 1036 CG2 THR A 72 74.328 7.802 -5.860 1.00 0.00 C ATOM 0 HA THR A 72 74.037 5.066 -6.739 1.00 0.00 H new ATOM 0 HB THR A 72 73.581 6.197 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.961 8.162 -5.870 1.00 0.00 H new ATOM 0 HG21 THR A 72 74.397 8.503 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 72 75.297 7.329 -6.018 1.00 0.00 H new ATOM 0 HG23 THR A 72 74.034 8.338 -6.762 1.00 0.00 H new ATOM 1044 N ILE A 73 71.412 4.733 -5.392 1.00 0.00 N ATOM 1045 CA ILE A 73 70.189 3.900 -5.213 1.00 0.00 C ATOM 1046 C ILE A 73 68.967 4.797 -4.996 1.00 0.00 C ATOM 1047 O ILE A 73 69.004 5.740 -4.231 1.00 0.00 O ATOM 1048 CB ILE A 73 70.466 3.050 -3.972 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.199 2.283 -3.586 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.887 3.956 -2.812 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.303 0.841 -4.087 1.00 0.00 C ATOM 0 H ILE A 73 71.782 5.152 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 73 69.976 3.283 -6.086 1.00 0.00 H new ATOM 0 HB ILE A 73 71.268 2.344 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.069 2.295 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.323 2.767 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 73 71.084 3.348 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 73 71.790 4.502 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 73 70.087 4.664 -2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.401 0.294 -3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.412 0.840 -5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.170 0.360 -3.635 1.00 0.00 H new ATOM 1063 N ASP A 74 67.885 4.510 -5.665 1.00 0.00 N ATOM 1064 CA ASP A 74 66.660 5.345 -5.499 1.00 0.00 C ATOM 1065 C ASP A 74 65.876 4.891 -4.266 1.00 0.00 C ATOM 1066 O ASP A 74 65.938 3.745 -3.868 1.00 0.00 O ATOM 1067 CB ASP A 74 65.845 5.110 -6.771 1.00 0.00 C ATOM 1068 CG ASP A 74 65.929 6.345 -7.670 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.250 7.315 -7.374 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.668 6.300 -8.640 1.00 0.00 O ATOM 0 H ASP A 74 67.795 3.733 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 74 66.894 6.400 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 74 66.223 4.236 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.806 4.903 -6.516 1.00 0.00 H new ATOM 1075 N PHE A 75 65.140 5.780 -3.657 1.00 0.00 N ATOM 1076 CA PHE A 75 64.355 5.393 -2.449 1.00 0.00 C ATOM 1077 C PHE A 75 63.388 4.257 -2.790 1.00 0.00 C ATOM 1078 O PHE A 75 63.385 3.221 -2.156 1.00 0.00 O ATOM 1079 CB PHE A 75 63.584 6.651 -2.051 1.00 0.00 C ATOM 1080 CG PHE A 75 62.876 6.410 -0.739 1.00 0.00 C ATOM 1081 CD1 PHE A 75 63.531 6.680 0.469 1.00 0.00 C ATOM 1082 CD2 PHE A 75 61.567 5.914 -0.730 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.876 6.452 1.685 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.911 5.688 0.487 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.567 5.958 1.694 1.00 0.00 C ATOM 0 H PHE A 75 65.048 6.755 -3.942 1.00 0.00 H new ATOM 0 HA PHE A 75 64.994 5.037 -1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 75 64.267 7.496 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.861 6.908 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.540 7.064 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 75 61.063 5.705 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 75 63.382 6.658 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.901 5.306 0.494 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.062 5.785 2.633 1.00 0.00 H new ATOM 1095 N GLU A 76 62.568 4.441 -3.788 1.00 0.00 N ATOM 1096 CA GLU A 76 61.605 3.367 -4.164 1.00 0.00 C ATOM 1097 C GLU A 76 62.352 2.050 -4.371 1.00 0.00 C ATOM 1098 O GLU A 76 61.926 1.005 -3.921 1.00 0.00 O ATOM 1099 CB GLU A 76 60.974 3.840 -5.473 1.00 0.00 C ATOM 1100 CG GLU A 76 62.071 4.059 -6.516 1.00 0.00 C ATOM 1101 CD GLU A 76 61.496 4.811 -7.716 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.559 5.569 -7.521 1.00 0.00 O ATOM 1103 OE2 GLU A 76 62.002 4.618 -8.810 1.00 0.00 O ATOM 0 H GLU A 76 62.523 5.286 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 76 60.854 3.192 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.258 3.101 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.422 4.766 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.894 4.625 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.479 3.100 -6.836 1.00 0.00 H new ATOM 1110 N GLU A 77 63.472 2.092 -5.041 1.00 0.00 N ATOM 1111 CA GLU A 77 64.248 0.841 -5.262 1.00 0.00 C ATOM 1112 C GLU A 77 65.020 0.484 -3.991 1.00 0.00 C ATOM 1113 O GLU A 77 65.359 -0.657 -3.759 1.00 0.00 O ATOM 1114 CB GLU A 77 65.211 1.160 -6.406 1.00 0.00 C ATOM 1115 CG GLU A 77 65.601 -0.135 -7.121 1.00 0.00 C ATOM 1116 CD GLU A 77 64.926 -0.186 -8.494 1.00 0.00 C ATOM 1117 OE1 GLU A 77 63.710 -0.278 -8.531 1.00 0.00 O ATOM 1118 OE2 GLU A 77 65.638 -0.132 -9.483 1.00 0.00 O ATOM 0 H GLU A 77 63.881 2.936 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 77 63.609 -0.009 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.742 1.849 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 77 66.101 1.656 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.684 -0.188 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.301 -0.996 -6.525 1.00 0.00 H new ATOM 1125 N PHE A 78 65.295 1.456 -3.163 1.00 0.00 N ATOM 1126 CA PHE A 78 66.039 1.177 -1.901 1.00 0.00 C ATOM 1127 C PHE A 78 65.110 0.494 -0.893 1.00 0.00 C ATOM 1128 O PHE A 78 65.532 -0.335 -0.110 1.00 0.00 O ATOM 1129 CB PHE A 78 66.489 2.552 -1.395 1.00 0.00 C ATOM 1130 CG PHE A 78 66.752 2.497 0.092 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.837 1.762 0.586 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.910 3.182 0.977 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.079 1.712 1.964 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.152 3.133 2.355 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.236 2.397 2.849 1.00 0.00 C ATOM 0 H PHE A 78 65.036 2.432 -3.306 1.00 0.00 H new ATOM 0 HA PHE A 78 66.888 0.510 -2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.391 2.864 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.722 3.296 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.487 1.234 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.073 3.749 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.916 1.145 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.503 3.663 3.037 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.422 2.357 3.912 1.00 0.00 H new ATOM 1145 N LEU A 79 63.850 0.832 -0.906 1.00 0.00 N ATOM 1146 CA LEU A 79 62.901 0.197 0.050 1.00 0.00 C ATOM 1147 C LEU A 79 63.051 -1.326 -0.002 1.00 0.00 C ATOM 1148 O LEU A 79 62.697 -2.026 0.925 1.00 0.00 O ATOM 1149 CB LEU A 79 61.512 0.634 -0.416 1.00 0.00 C ATOM 1150 CG LEU A 79 61.054 1.834 0.420 1.00 0.00 C ATOM 1151 CD1 LEU A 79 62.122 2.927 0.379 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.747 2.389 -0.149 1.00 0.00 C ATOM 0 H LEU A 79 63.437 1.519 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 79 63.083 0.494 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.537 0.900 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.805 -0.189 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 79 60.898 1.513 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 79 61.794 3.779 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 79 63.056 2.539 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 79 62.279 3.244 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.424 3.242 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.905 2.706 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 79 58.980 1.615 -0.121 1.00 0.00 H new ATOM 1164 N VAL A 80 63.589 -1.842 -1.074 1.00 0.00 N ATOM 1165 CA VAL A 80 63.778 -3.317 -1.171 1.00 0.00 C ATOM 1166 C VAL A 80 64.958 -3.736 -0.290 1.00 0.00 C ATOM 1167 O VAL A 80 64.931 -4.764 0.355 1.00 0.00 O ATOM 1168 CB VAL A 80 64.068 -3.593 -2.653 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.533 -3.278 -2.971 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.795 -5.067 -2.958 1.00 0.00 C ATOM 0 H VAL A 80 63.905 -1.308 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 80 62.907 -3.878 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 80 63.424 -2.961 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.728 -3.477 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.734 -2.228 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.181 -3.904 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 64.000 -5.265 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.439 -5.692 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.751 -5.296 -2.743 1.00 0.00 H new ATOM 1180 N MET A 81 65.989 -2.935 -0.249 1.00 0.00 N ATOM 1181 CA MET A 81 67.163 -3.277 0.598 1.00 0.00 C ATOM 1182 C MET A 81 66.754 -3.251 2.070 1.00 0.00 C ATOM 1183 O MET A 81 67.267 -3.993 2.884 1.00 0.00 O ATOM 1184 CB MET A 81 68.194 -2.186 0.303 1.00 0.00 C ATOM 1185 CG MET A 81 69.098 -2.636 -0.845 1.00 0.00 C ATOM 1186 SD MET A 81 70.181 -3.970 -0.275 1.00 0.00 S ATOM 1187 CE MET A 81 71.262 -2.956 0.763 1.00 0.00 C ATOM 0 H MET A 81 66.067 -2.059 -0.766 1.00 0.00 H new ATOM 0 HA MET A 81 67.559 -4.271 0.390 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.690 -1.256 0.040 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.791 -1.985 1.193 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.494 -2.978 -1.685 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.695 -1.797 -1.202 1.00 0.00 H new ATOM 0 HE1 MET A 81 71.750 -3.587 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 81 72.018 -2.477 0.141 1.00 0.00 H new ATOM 0 HE3 MET A 81 70.670 -2.192 1.268 1.00 0.00 H new ATOM 1197 N MET A 82 65.822 -2.405 2.411 1.00 0.00 N ATOM 1198 CA MET A 82 65.362 -2.329 3.824 1.00 0.00 C ATOM 1199 C MET A 82 64.684 -3.642 4.220 1.00 0.00 C ATOM 1200 O MET A 82 65.077 -4.294 5.166 1.00 0.00 O ATOM 1201 CB MET A 82 64.356 -1.180 3.849 1.00 0.00 C ATOM 1202 CG MET A 82 65.018 0.090 3.311 1.00 0.00 C ATOM 1203 SD MET A 82 65.013 1.363 4.598 1.00 0.00 S ATOM 1204 CE MET A 82 65.897 0.414 5.860 1.00 0.00 C ATOM 0 H MET A 82 65.358 -1.762 1.769 1.00 0.00 H new ATOM 0 HA MET A 82 66.183 -2.166 4.522 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.485 -1.432 3.245 1.00 0.00 H new ATOM 0 HB3 MET A 82 64.002 -1.015 4.866 1.00 0.00 H new ATOM 0 HG2 MET A 82 66.040 -0.124 3.000 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.484 0.446 2.430 1.00 0.00 H new ATOM 0 HE1 MET A 82 65.395 0.531 6.821 1.00 0.00 H new ATOM 0 HE2 MET A 82 65.908 -0.640 5.582 1.00 0.00 H new ATOM 0 HE3 MET A 82 66.921 0.779 5.939 1.00 0.00 H new ATOM 1214 N VAL A 83 63.666 -4.032 3.501 1.00 0.00 N ATOM 1215 CA VAL A 83 62.959 -5.302 3.835 1.00 0.00 C ATOM 1216 C VAL A 83 63.865 -6.508 3.566 1.00 0.00 C ATOM 1217 O VAL A 83 63.979 -7.399 4.383 1.00 0.00 O ATOM 1218 CB VAL A 83 61.733 -5.341 2.919 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.174 -5.276 1.454 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.970 -6.645 3.156 1.00 0.00 C ATOM 0 H VAL A 83 63.294 -3.526 2.697 1.00 0.00 H new ATOM 0 HA VAL A 83 62.680 -5.343 4.888 1.00 0.00 H new ATOM 0 HB VAL A 83 61.092 -4.488 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.296 -5.304 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.723 -4.351 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.817 -6.127 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.096 -6.678 2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.619 -7.492 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.651 -6.696 4.197 1.00 0.00 H new ATOM 1230 N ARG A 84 64.510 -6.544 2.432 1.00 0.00 N ATOM 1231 CA ARG A 84 65.403 -7.697 2.130 1.00 0.00 C ATOM 1232 C ARG A 84 66.359 -7.928 3.300 1.00 0.00 C ATOM 1233 O ARG A 84 66.704 -9.048 3.622 1.00 0.00 O ATOM 1234 CB ARG A 84 66.163 -7.291 0.869 1.00 0.00 C ATOM 1235 CG ARG A 84 65.186 -7.219 -0.306 1.00 0.00 C ATOM 1236 CD ARG A 84 65.065 -8.599 -0.956 1.00 0.00 C ATOM 1237 NE ARG A 84 64.152 -8.397 -2.117 1.00 0.00 N ATOM 1238 CZ ARG A 84 63.094 -9.148 -2.252 1.00 0.00 C ATOM 1239 NH1 ARG A 84 63.219 -10.446 -2.313 1.00 0.00 N ATOM 1240 NH2 ARG A 84 61.912 -8.602 -2.327 1.00 0.00 N ATOM 0 H ARG A 84 64.458 -5.829 1.706 1.00 0.00 H new ATOM 0 HA ARG A 84 64.855 -8.627 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.645 -6.325 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.952 -8.012 0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.209 -6.882 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.534 -6.490 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 84 66.038 -8.971 -1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.660 -9.331 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 84 64.354 -7.672 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 84 64.144 -10.873 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 84 62.392 -11.034 -2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 84 61.815 -7.588 -2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.085 -9.189 -2.433 1.00 0.00 H new ATOM 1254 N GLN A 85 66.778 -6.877 3.948 1.00 0.00 N ATOM 1255 CA GLN A 85 67.697 -7.036 5.109 1.00 0.00 C ATOM 1256 C GLN A 85 66.877 -7.233 6.384 1.00 0.00 C ATOM 1257 O GLN A 85 67.244 -7.990 7.261 1.00 0.00 O ATOM 1258 CB GLN A 85 68.495 -5.734 5.173 1.00 0.00 C ATOM 1259 CG GLN A 85 69.496 -5.805 6.328 1.00 0.00 C ATOM 1260 CD GLN A 85 70.426 -7.002 6.128 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.331 -6.960 5.188 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 70.330 -7.986 6.833 1.00 0.00 N flip ATOM 0 H GLN A 85 66.524 -5.915 3.724 1.00 0.00 H new ATOM 0 HA GLN A 85 68.354 -7.900 5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 85 69.020 -5.570 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.821 -4.889 5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.077 -4.884 6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 85 68.967 -5.897 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.623 -8.020 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.956 -8.779 6.690 1.00 0.00 H new ATOM 1271 N MET A 86 65.760 -6.562 6.490 1.00 0.00 N ATOM 1272 CA MET A 86 64.910 -6.721 7.704 1.00 0.00 C ATOM 1273 C MET A 86 64.248 -8.097 7.688 1.00 0.00 C ATOM 1274 O MET A 86 63.822 -8.604 8.704 1.00 0.00 O ATOM 1275 CB MET A 86 63.855 -5.619 7.612 1.00 0.00 C ATOM 1276 CG MET A 86 64.134 -4.551 8.671 1.00 0.00 C ATOM 1277 SD MET A 86 62.567 -3.876 9.273 1.00 0.00 S ATOM 1278 CE MET A 86 61.788 -3.634 7.658 1.00 0.00 C ATOM 0 H MET A 86 65.401 -5.913 5.790 1.00 0.00 H new ATOM 0 HA MET A 86 65.486 -6.645 8.626 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.868 -5.172 6.618 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.861 -6.040 7.759 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.698 -4.982 9.498 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.747 -3.755 8.248 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.022 -2.862 7.735 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.542 -3.326 6.933 1.00 0.00 H new ATOM 0 HE3 MET A 86 61.330 -4.568 7.331 1.00 0.00 H new ATOM 1288 N LYS A 87 64.162 -8.709 6.538 1.00 0.00 N ATOM 1289 CA LYS A 87 63.531 -10.055 6.465 1.00 0.00 C ATOM 1290 C LYS A 87 64.128 -10.951 7.551 1.00 0.00 C ATOM 1291 O LYS A 87 63.519 -11.906 7.991 1.00 0.00 O ATOM 1292 CB LYS A 87 63.879 -10.583 5.072 1.00 0.00 C ATOM 1293 CG LYS A 87 62.896 -10.014 4.048 1.00 0.00 C ATOM 1294 CD LYS A 87 62.290 -11.157 3.232 1.00 0.00 C ATOM 1295 CE LYS A 87 61.183 -10.610 2.328 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.892 -10.091 1.125 1.00 0.00 N ATOM 0 H LYS A 87 64.500 -8.336 5.651 1.00 0.00 H new ATOM 0 HA LYS A 87 62.453 -10.027 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.898 -10.300 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.838 -11.672 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.108 -9.457 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.407 -9.313 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 87 63.062 -11.637 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.886 -11.919 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.470 -11.390 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.620 -9.821 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 61.198 -9.714 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 62.547 -9.334 1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 62.427 -10.862 0.678 1.00 0.00 H new ATOM 1310 N GLU A 88 65.317 -10.640 7.993 1.00 0.00 N ATOM 1311 CA GLU A 88 65.959 -11.459 9.058 1.00 0.00 C ATOM 1312 C GLU A 88 65.773 -10.783 10.420 1.00 0.00 C ATOM 1313 O GLU A 88 65.503 -11.428 11.412 1.00 0.00 O ATOM 1314 CB GLU A 88 67.440 -11.512 8.681 1.00 0.00 C ATOM 1315 CG GLU A 88 68.011 -12.882 9.054 1.00 0.00 C ATOM 1316 CD GLU A 88 69.510 -12.754 9.328 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.863 -12.468 10.461 1.00 0.00 O ATOM 1318 OE2 GLU A 88 70.280 -12.943 8.402 1.00 0.00 O ATOM 0 H GLU A 88 65.872 -9.851 7.660 1.00 0.00 H new ATOM 0 HA GLU A 88 65.525 -12.456 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.561 -11.334 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.987 -10.724 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.502 -13.272 9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.838 -13.592 8.245 1.00 0.00 H new ATOM 1325 N ASP A 89 65.915 -9.484 10.473 1.00 0.00 N ATOM 1326 CA ASP A 89 65.744 -8.769 11.772 1.00 0.00 C ATOM 1327 C ASP A 89 64.255 -8.608 12.093 1.00 0.00 C ATOM 1328 O ASP A 89 63.866 -8.487 13.237 1.00 0.00 O ATOM 1329 CB ASP A 89 66.399 -7.404 11.561 1.00 0.00 C ATOM 1330 CG ASP A 89 67.916 -7.574 11.461 1.00 0.00 C ATOM 1331 OD1 ASP A 89 68.367 -8.708 11.481 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.599 -6.569 11.364 1.00 0.00 O ATOM 0 H ASP A 89 66.141 -8.889 9.676 1.00 0.00 H new ATOM 0 HA ASP A 89 66.192 -9.311 12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 89 66.014 -6.941 10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.151 -6.738 12.388 1.00 0.00 H new ATOM 1337 N ALA A 90 63.420 -8.604 11.089 1.00 0.00 N ATOM 1338 CA ALA A 90 61.958 -8.450 11.332 1.00 0.00 C ATOM 1339 C ALA A 90 61.297 -9.825 11.471 1.00 0.00 C ATOM 1340 O ALA A 90 61.860 -10.783 10.968 1.00 0.00 O ATOM 1341 CB ALA A 90 61.426 -7.721 10.098 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.239 -9.894 12.076 1.00 0.00 O ATOM 0 H ALA A 90 63.688 -8.701 10.110 1.00 0.00 H new ATOM 0 HA ALA A 90 61.747 -7.903 12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.352 -7.569 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.922 -6.755 10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.625 -8.319 9.208 1.00 0.00 H new