USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=14 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 X(o=0,f=-0.17) USER MOD Single : A 7 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.83) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) 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 -159:sc= 0.00317 USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= -0.372 (180deg=-1.54!) USER MOD Single : A 44 THR OG1 : rot 159:sc= 0.0817 USER MOD Single : A 46 MET CE :methyl 157:sc= -4.54! (180deg=-4.65!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -10.4! C(o=-10!,f=-28!) USER MOD Single : A 52 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.46) USER MOD Single : A 54 THR OG1 : rot 177:sc= -4.73! USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -0.0173 (180deg=-0.332) USER MOD Single : A 72 THR OG1 : rot -25:sc= 0.855 USER MOD Single : A 81 MET CE :methyl 164:sc= -7.52! (180deg=-8.25!) USER MOD Single : A 82 MET CE :methyl -176:sc= -5.85! (180deg=-6.09!) USER MOD Single : A 85 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.4!) USER MOD Single : A 86 MET CE :methyl 172:sc= 0 (180deg=-0.121) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc=-0.00109 (180deg=-0.0193) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.975 -5.993 -11.565 1.00 0.00 N ATOM 25 CA MET A 3 64.923 -5.631 -10.120 1.00 0.00 C ATOM 26 C MET A 3 63.630 -4.872 -9.810 1.00 0.00 C ATOM 27 O MET A 3 63.086 -4.969 -8.729 1.00 0.00 O ATOM 28 CB MET A 3 66.137 -4.730 -9.895 1.00 0.00 C ATOM 29 CG MET A 3 67.276 -5.551 -9.286 1.00 0.00 C ATOM 30 SD MET A 3 67.601 -6.996 -10.325 1.00 0.00 S ATOM 31 CE MET A 3 68.969 -7.670 -9.351 1.00 0.00 C ATOM 0 HA MET A 3 64.939 -6.509 -9.474 1.00 0.00 H new ATOM 0 HB2 MET A 3 66.457 -4.290 -10.840 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.874 -3.906 -9.232 1.00 0.00 H new ATOM 0 HG2 MET A 3 68.175 -4.940 -9.203 1.00 0.00 H new ATOM 0 HG3 MET A 3 67.011 -5.867 -8.277 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.333 -8.585 -9.819 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.777 -6.940 -9.305 1.00 0.00 H new ATOM 0 HE3 MET A 3 68.622 -7.892 -8.342 1.00 0.00 H new ATOM 41 N THR A 4 63.134 -4.118 -10.752 1.00 0.00 N ATOM 42 CA THR A 4 61.877 -3.354 -10.512 1.00 0.00 C ATOM 43 C THR A 4 60.795 -4.280 -9.948 1.00 0.00 C ATOM 44 O THR A 4 59.844 -3.839 -9.334 1.00 0.00 O ATOM 45 CB THR A 4 61.467 -2.821 -11.885 1.00 0.00 C ATOM 46 OG1 THR A 4 60.284 -2.046 -11.756 1.00 0.00 O ATOM 47 CG2 THR A 4 61.210 -3.994 -12.834 1.00 0.00 C ATOM 0 H THR A 4 63.545 -3.998 -11.678 1.00 0.00 H new ATOM 0 HA THR A 4 62.014 -2.550 -9.789 1.00 0.00 H new ATOM 0 HB THR A 4 62.267 -2.200 -12.288 1.00 0.00 H new ATOM 0 HG1 THR A 4 60.021 -1.702 -12.635 1.00 0.00 H new ATOM 0 HG21 THR A 4 60.918 -3.613 -13.813 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.119 -4.588 -12.932 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.410 -4.617 -12.434 1.00 0.00 H new ATOM 55 N ASP A 5 60.935 -5.562 -10.150 1.00 0.00 N ATOM 56 CA ASP A 5 59.916 -6.516 -9.626 1.00 0.00 C ATOM 57 C ASP A 5 59.962 -6.553 -8.096 1.00 0.00 C ATOM 58 O ASP A 5 58.969 -6.337 -7.430 1.00 0.00 O ATOM 59 CB ASP A 5 60.311 -7.874 -10.208 1.00 0.00 C ATOM 60 CG ASP A 5 59.087 -8.790 -10.247 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.189 -8.580 -9.448 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.067 -9.685 -11.075 1.00 0.00 O ATOM 0 H ASP A 5 61.711 -5.990 -10.655 1.00 0.00 H new ATOM 0 HA ASP A 5 58.901 -6.232 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.715 -7.747 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 5 61.097 -8.326 -9.603 1.00 0.00 H new ATOM 67 N GLN A 6 61.107 -6.826 -7.534 1.00 0.00 N ATOM 68 CA GLN A 6 61.218 -6.877 -6.048 1.00 0.00 C ATOM 69 C GLN A 6 60.815 -5.530 -5.441 1.00 0.00 C ATOM 70 O GLN A 6 60.577 -5.419 -4.255 1.00 0.00 O ATOM 71 CB GLN A 6 62.693 -7.172 -5.774 1.00 0.00 C ATOM 72 CG GLN A 6 62.824 -8.521 -5.062 1.00 0.00 C ATOM 73 CD GLN A 6 62.988 -9.633 -6.099 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.114 -9.853 -6.913 1.00 0.00 O ATOM 75 NE2 GLN A 6 64.079 -10.350 -6.103 1.00 0.00 N ATOM 0 H GLN A 6 61.972 -7.016 -8.040 1.00 0.00 H new ATOM 0 HA GLN A 6 60.563 -7.630 -5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.251 -7.188 -6.710 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.124 -6.382 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.682 -8.507 -4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 6 61.942 -8.708 -4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.813 -10.165 -5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 6 64.197 -11.095 -6.790 1.00 0.00 H new ATOM 84 N GLN A 7 60.738 -4.506 -6.247 1.00 0.00 N ATOM 85 CA GLN A 7 60.353 -3.165 -5.720 1.00 0.00 C ATOM 86 C GLN A 7 58.906 -3.180 -5.215 1.00 0.00 C ATOM 87 O GLN A 7 58.624 -2.789 -4.100 1.00 0.00 O ATOM 88 CB GLN A 7 60.493 -2.223 -6.917 1.00 0.00 C ATOM 89 CG GLN A 7 60.602 -0.779 -6.426 1.00 0.00 C ATOM 90 CD GLN A 7 60.267 0.175 -7.574 1.00 0.00 C ATOM 91 OE1 GLN A 7 61.087 0.416 -8.437 1.00 0.00 O ATOM 92 NE2 GLN A 7 59.088 0.730 -7.623 1.00 0.00 N ATOM 0 H GLN A 7 60.925 -4.540 -7.249 1.00 0.00 H new ATOM 0 HA GLN A 7 60.974 -2.859 -4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 7 61.376 -2.487 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.633 -2.329 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 7 59.920 -0.615 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.609 -0.583 -6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 7 58.399 0.528 -6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 7 58.855 1.366 -8.386 1.00 0.00 H new ATOM 101 N ALA A 8 57.988 -3.622 -6.030 1.00 0.00 N ATOM 102 CA ALA A 8 56.559 -3.653 -5.600 1.00 0.00 C ATOM 103 C ALA A 8 56.427 -4.279 -4.208 1.00 0.00 C ATOM 104 O ALA A 8 55.986 -3.644 -3.272 1.00 0.00 O ATOM 105 CB ALA A 8 55.853 -4.517 -6.645 1.00 0.00 C ATOM 0 H ALA A 8 58.164 -3.963 -6.975 1.00 0.00 H new ATOM 0 HA ALA A 8 56.130 -2.653 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.793 -4.590 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.968 -4.064 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.294 -5.514 -6.651 1.00 0.00 H new ATOM 111 N GLU A 9 56.795 -5.523 -4.066 1.00 0.00 N ATOM 112 CA GLU A 9 56.679 -6.187 -2.735 1.00 0.00 C ATOM 113 C GLU A 9 57.698 -5.604 -1.752 1.00 0.00 C ATOM 114 O GLU A 9 57.675 -5.899 -0.574 1.00 0.00 O ATOM 115 CB GLU A 9 56.975 -7.663 -3.001 1.00 0.00 C ATOM 116 CG GLU A 9 55.798 -8.515 -2.520 1.00 0.00 C ATOM 117 CD GLU A 9 56.267 -9.952 -2.289 1.00 0.00 C ATOM 118 OE1 GLU A 9 57.443 -10.209 -2.480 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.440 -10.771 -1.922 1.00 0.00 O ATOM 0 H GLU A 9 57.170 -6.108 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 9 55.695 -6.040 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.144 -7.825 -4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.888 -7.960 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.390 -8.102 -1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.997 -8.497 -3.259 1.00 0.00 H new ATOM 126 N ALA A 10 58.592 -4.778 -2.223 1.00 0.00 N ATOM 127 CA ALA A 10 59.607 -4.181 -1.308 1.00 0.00 C ATOM 128 C ALA A 10 59.000 -3.009 -0.528 1.00 0.00 C ATOM 129 O ALA A 10 59.378 -2.740 0.596 1.00 0.00 O ATOM 130 CB ALA A 10 60.730 -3.698 -2.225 1.00 0.00 C ATOM 0 H ALA A 10 58.664 -4.491 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 10 59.966 -4.896 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.519 -3.244 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.136 -4.544 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.337 -2.961 -2.925 1.00 0.00 H new ATOM 136 N ARG A 11 58.064 -2.309 -1.111 1.00 0.00 N ATOM 137 CA ARG A 11 57.438 -1.158 -0.392 1.00 0.00 C ATOM 138 C ARG A 11 56.214 -1.630 0.393 1.00 0.00 C ATOM 139 O ARG A 11 56.153 -1.514 1.600 1.00 0.00 O ATOM 140 CB ARG A 11 57.014 -0.175 -1.487 1.00 0.00 C ATOM 141 CG ARG A 11 58.116 -0.050 -2.541 1.00 0.00 C ATOM 142 CD ARG A 11 57.550 -0.426 -3.912 1.00 0.00 C ATOM 143 NE ARG A 11 56.948 0.831 -4.436 1.00 0.00 N ATOM 144 CZ ARG A 11 55.706 1.124 -4.161 1.00 0.00 C ATOM 145 NH1 ARG A 11 55.407 1.711 -3.034 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.763 0.831 -5.014 1.00 0.00 N ATOM 0 H ARG A 11 57.706 -2.482 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 11 58.125 -0.702 0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 11 56.091 -0.517 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.807 0.801 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.502 0.969 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.952 -0.702 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 11 58.333 -0.795 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.804 -1.216 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 11 57.506 1.463 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 11 56.144 1.941 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 11 54.436 1.940 -2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.997 0.373 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 11 53.792 1.060 -4.800 1.00 0.00 H new ATOM 160 N ALA A 12 55.235 -2.160 -0.289 1.00 0.00 N ATOM 161 CA ALA A 12 54.009 -2.637 0.410 1.00 0.00 C ATOM 162 C ALA A 12 54.383 -3.569 1.567 1.00 0.00 C ATOM 163 O ALA A 12 53.610 -3.778 2.481 1.00 0.00 O ATOM 164 CB ALA A 12 53.222 -3.394 -0.660 1.00 0.00 C ATOM 0 H ALA A 12 55.232 -2.283 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 12 53.432 -1.819 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.299 -3.781 -0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.983 -2.719 -1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.822 -4.223 -1.035 1.00 0.00 H new ATOM 170 N PHE A 13 55.562 -4.128 1.536 1.00 0.00 N ATOM 171 CA PHE A 13 55.979 -5.045 2.637 1.00 0.00 C ATOM 172 C PHE A 13 55.851 -4.340 3.990 1.00 0.00 C ATOM 173 O PHE A 13 55.664 -4.969 5.013 1.00 0.00 O ATOM 174 CB PHE A 13 57.443 -5.375 2.343 1.00 0.00 C ATOM 175 CG PHE A 13 58.071 -6.007 3.562 1.00 0.00 C ATOM 176 CD1 PHE A 13 58.674 -5.204 4.537 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.050 -7.399 3.717 1.00 0.00 C ATOM 178 CE1 PHE A 13 59.256 -5.791 5.666 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.632 -7.986 4.847 1.00 0.00 C ATOM 180 CZ PHE A 13 59.236 -7.182 5.822 1.00 0.00 C ATOM 0 H PHE A 13 56.253 -3.991 0.799 1.00 0.00 H new ATOM 0 HA PHE A 13 55.360 -5.941 2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.510 -6.054 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.984 -4.469 2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 13 58.690 -4.131 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 13 57.585 -8.019 2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 13 59.721 -5.170 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 13 58.615 -9.059 4.967 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.686 -7.635 6.693 1.00 0.00 H new ATOM 190 N LEU A 14 55.950 -3.039 4.005 1.00 0.00 N ATOM 191 CA LEU A 14 55.834 -2.297 5.293 1.00 0.00 C ATOM 192 C LEU A 14 54.681 -1.292 5.224 1.00 0.00 C ATOM 193 O LEU A 14 54.526 -0.576 4.255 1.00 0.00 O ATOM 194 CB LEU A 14 57.170 -1.571 5.455 1.00 0.00 C ATOM 195 CG LEU A 14 57.560 -0.915 4.129 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.254 0.419 4.404 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.515 -1.838 3.366 1.00 0.00 C ATOM 0 H LEU A 14 56.106 -2.458 3.182 1.00 0.00 H new ATOM 0 HA LEU A 14 55.626 -2.960 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.093 -0.816 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 14 57.943 -2.274 5.766 1.00 0.00 H new ATOM 0 HG LEU A 14 56.665 -0.742 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 14 58.532 0.886 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 14 57.576 1.076 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.150 0.247 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.794 -1.372 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 14 59.410 -2.010 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.022 -2.790 3.170 1.00 0.00 H new ATOM 209 N SER A 15 53.871 -1.233 6.247 1.00 0.00 N ATOM 210 CA SER A 15 52.729 -0.274 6.240 1.00 0.00 C ATOM 211 C SER A 15 53.248 1.164 6.164 1.00 0.00 C ATOM 212 O SER A 15 54.386 1.441 6.485 1.00 0.00 O ATOM 213 CB SER A 15 52.006 -0.513 7.564 1.00 0.00 C ATOM 214 OG SER A 15 50.907 -1.389 7.348 1.00 0.00 O ATOM 0 H SER A 15 53.951 -1.807 7.086 1.00 0.00 H new ATOM 0 HA SER A 15 52.071 -0.420 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.692 -0.944 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.656 0.433 7.976 1.00 0.00 H new ATOM 0 HG SER A 15 50.442 -1.546 8.196 1.00 0.00 H new ATOM 220 N GLU A 16 52.421 2.082 5.742 1.00 0.00 N ATOM 221 CA GLU A 16 52.869 3.501 5.648 1.00 0.00 C ATOM 222 C GLU A 16 53.479 3.947 6.979 1.00 0.00 C ATOM 223 O GLU A 16 54.223 4.906 7.042 1.00 0.00 O ATOM 224 CB GLU A 16 51.600 4.296 5.346 1.00 0.00 C ATOM 225 CG GLU A 16 51.929 5.787 5.315 1.00 0.00 C ATOM 226 CD GLU A 16 52.055 6.254 3.863 1.00 0.00 C ATOM 227 OE1 GLU A 16 53.142 6.149 3.321 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.060 6.705 3.318 1.00 0.00 O ATOM 0 H GLU A 16 51.456 1.911 5.459 1.00 0.00 H new ATOM 0 HA GLU A 16 53.632 3.647 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.182 3.985 4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.843 4.095 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.148 6.353 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.859 5.976 5.851 1.00 0.00 H new ATOM 235 N GLU A 17 53.168 3.260 8.043 1.00 0.00 N ATOM 236 CA GLU A 17 53.727 3.645 9.370 1.00 0.00 C ATOM 237 C GLU A 17 55.257 3.621 9.324 1.00 0.00 C ATOM 238 O GLU A 17 55.912 4.591 9.652 1.00 0.00 O ATOM 239 CB GLU A 17 53.202 2.588 10.343 1.00 0.00 C ATOM 240 CG GLU A 17 52.983 3.224 11.717 1.00 0.00 C ATOM 241 CD GLU A 17 51.625 2.792 12.269 1.00 0.00 C ATOM 242 OE1 GLU A 17 51.554 1.714 12.837 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.677 3.545 12.116 1.00 0.00 O ATOM 0 H GLU A 17 52.551 2.448 8.051 1.00 0.00 H new ATOM 0 HA GLU A 17 53.434 4.652 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.267 2.169 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.912 1.765 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.777 2.922 12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.026 4.310 11.638 1.00 0.00 H new ATOM 250 N MET A 18 55.833 2.521 8.921 1.00 0.00 N ATOM 251 CA MET A 18 57.319 2.439 8.855 1.00 0.00 C ATOM 252 C MET A 18 57.850 3.357 7.751 1.00 0.00 C ATOM 253 O MET A 18 58.828 4.056 7.929 1.00 0.00 O ATOM 254 CB MET A 18 57.627 0.979 8.529 1.00 0.00 C ATOM 255 CG MET A 18 58.730 0.469 9.458 1.00 0.00 C ATOM 256 SD MET A 18 58.002 -0.573 10.747 1.00 0.00 S ATOM 257 CE MET A 18 58.753 0.264 12.164 1.00 0.00 C ATOM 0 H MET A 18 55.338 1.676 8.635 1.00 0.00 H new ATOM 0 HA MET A 18 57.789 2.754 9.787 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.729 0.372 8.646 1.00 0.00 H new ATOM 0 HB3 MET A 18 57.941 0.886 7.489 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.465 -0.099 8.889 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.257 1.310 9.910 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.434 -0.223 13.085 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.839 0.213 12.083 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.439 1.308 12.178 1.00 0.00 H new ATOM 267 N ILE A 19 57.211 3.365 6.611 1.00 0.00 N ATOM 268 CA ILE A 19 57.685 4.244 5.503 1.00 0.00 C ATOM 269 C ILE A 19 58.033 5.628 6.062 1.00 0.00 C ATOM 270 O ILE A 19 59.072 6.184 5.764 1.00 0.00 O ATOM 271 CB ILE A 19 56.507 4.313 4.520 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.610 3.147 3.532 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.540 5.633 3.742 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.340 2.297 3.607 1.00 0.00 C ATOM 0 H ILE A 19 56.386 2.804 6.400 1.00 0.00 H new ATOM 0 HA ILE A 19 58.583 3.868 5.013 1.00 0.00 H new ATOM 0 HB ILE A 19 55.573 4.253 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.747 3.526 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 19 57.483 2.536 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.699 5.668 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.471 6.468 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.474 5.703 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.415 1.468 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 19 55.223 1.906 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.476 2.911 3.353 1.00 0.00 H new ATOM 286 N ALA A 20 57.179 6.182 6.878 1.00 0.00 N ATOM 287 CA ALA A 20 57.475 7.522 7.460 1.00 0.00 C ATOM 288 C ALA A 20 58.827 7.483 8.174 1.00 0.00 C ATOM 289 O ALA A 20 59.548 8.460 8.216 1.00 0.00 O ATOM 290 CB ALA A 20 56.345 7.782 8.457 1.00 0.00 C ATOM 0 H ALA A 20 56.293 5.767 7.166 1.00 0.00 H new ATOM 0 HA ALA A 20 57.531 8.305 6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.492 8.753 8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.389 7.774 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 20 56.347 7.004 9.220 1.00 0.00 H new ATOM 296 N GLU A 21 59.177 6.355 8.728 1.00 0.00 N ATOM 297 CA GLU A 21 60.486 6.241 9.431 1.00 0.00 C ATOM 298 C GLU A 21 61.600 6.007 8.410 1.00 0.00 C ATOM 299 O GLU A 21 62.664 6.590 8.489 1.00 0.00 O ATOM 300 CB GLU A 21 60.336 5.028 10.351 1.00 0.00 C ATOM 301 CG GLU A 21 61.698 4.666 10.952 1.00 0.00 C ATOM 302 CD GLU A 21 61.972 5.557 12.166 1.00 0.00 C ATOM 303 OE1 GLU A 21 61.025 5.892 12.857 1.00 0.00 O ATOM 304 OE2 GLU A 21 63.127 5.889 12.383 1.00 0.00 O ATOM 0 H GLU A 21 58.612 5.506 8.724 1.00 0.00 H new ATOM 0 HA GLU A 21 60.743 7.142 9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 21 59.624 5.248 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.938 4.182 9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 21 61.710 3.617 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 21 62.483 4.797 10.207 1.00 0.00 H new ATOM 311 N PHE A 22 61.361 5.158 7.449 1.00 0.00 N ATOM 312 CA PHE A 22 62.400 4.882 6.417 1.00 0.00 C ATOM 313 C PHE A 22 62.493 6.057 5.441 1.00 0.00 C ATOM 314 O PHE A 22 63.567 6.517 5.109 1.00 0.00 O ATOM 315 CB PHE A 22 61.914 3.623 5.696 1.00 0.00 C ATOM 316 CG PHE A 22 62.085 2.412 6.590 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.440 2.566 7.938 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.886 1.129 6.065 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.595 1.442 8.756 1.00 0.00 C ATOM 320 CE2 PHE A 22 62.042 0.004 6.884 1.00 0.00 C ATOM 321 CZ PHE A 22 62.396 0.160 8.229 1.00 0.00 C ATOM 0 H PHE A 22 60.489 4.642 7.334 1.00 0.00 H new ATOM 0 HA PHE A 22 63.391 4.747 6.850 1.00 0.00 H new ATOM 0 HB2 PHE A 22 60.866 3.735 5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.475 3.484 4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.594 3.554 8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.612 1.007 5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.868 1.563 9.794 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.889 -0.985 6.477 1.00 0.00 H new ATOM 0 HZ PHE A 22 62.516 -0.708 8.860 1.00 0.00 H new ATOM 331 N LYS A 23 61.375 6.547 4.981 1.00 0.00 N ATOM 332 CA LYS A 23 61.400 7.693 4.030 1.00 0.00 C ATOM 333 C LYS A 23 62.012 8.923 4.706 1.00 0.00 C ATOM 334 O LYS A 23 62.854 9.596 4.146 1.00 0.00 O ATOM 335 CB LYS A 23 59.933 7.945 3.676 1.00 0.00 C ATOM 336 CG LYS A 23 59.797 9.308 2.993 1.00 0.00 C ATOM 337 CD LYS A 23 59.383 10.358 4.025 1.00 0.00 C ATOM 338 CE LYS A 23 58.565 11.454 3.338 1.00 0.00 C ATOM 339 NZ LYS A 23 58.149 12.369 4.437 1.00 0.00 N ATOM 0 H LYS A 23 60.446 6.203 5.223 1.00 0.00 H new ATOM 0 HA LYS A 23 62.001 7.486 3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.567 7.158 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.321 7.916 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 23 60.743 9.591 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 23 59.056 9.255 2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 23 58.796 9.893 4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.267 10.790 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.159 11.980 2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 23 57.700 11.037 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.583 13.148 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 57.580 11.843 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 58.993 12.756 4.905 1.00 0.00 H new ATOM 353 N ALA A 24 61.600 9.217 5.909 1.00 0.00 N ATOM 354 CA ALA A 24 62.164 10.399 6.621 1.00 0.00 C ATOM 355 C ALA A 24 63.641 10.161 6.942 1.00 0.00 C ATOM 356 O ALA A 24 64.451 11.067 6.894 1.00 0.00 O ATOM 357 CB ALA A 24 61.346 10.515 7.907 1.00 0.00 C ATOM 0 H ALA A 24 60.898 8.691 6.429 1.00 0.00 H new ATOM 0 HA ALA A 24 62.110 11.309 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 24 61.702 11.365 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.295 10.660 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.457 9.602 8.493 1.00 0.00 H new ATOM 363 N ALA A 25 63.998 8.950 7.269 1.00 0.00 N ATOM 364 CA ALA A 25 65.424 8.653 7.591 1.00 0.00 C ATOM 365 C ALA A 25 66.238 8.518 6.302 1.00 0.00 C ATOM 366 O ALA A 25 67.413 8.824 6.262 1.00 0.00 O ATOM 367 CB ALA A 25 65.394 7.323 8.347 1.00 0.00 C ATOM 0 H ALA A 25 63.365 8.153 7.327 1.00 0.00 H new ATOM 0 HA ALA A 25 65.887 9.445 8.180 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.410 7.036 8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.793 7.431 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.958 6.553 7.711 1.00 0.00 H new ATOM 373 N PHE A 26 65.621 8.063 5.245 1.00 0.00 N ATOM 374 CA PHE A 26 66.360 7.911 3.960 1.00 0.00 C ATOM 375 C PHE A 26 66.883 9.270 3.489 1.00 0.00 C ATOM 376 O PHE A 26 67.904 9.362 2.838 1.00 0.00 O ATOM 377 CB PHE A 26 65.332 7.360 2.972 1.00 0.00 C ATOM 378 CG PHE A 26 66.000 7.097 1.645 1.00 0.00 C ATOM 379 CD1 PHE A 26 66.096 8.121 0.694 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.528 5.831 1.365 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.719 7.878 -0.536 1.00 0.00 C ATOM 382 CE2 PHE A 26 67.149 5.587 0.136 1.00 0.00 C ATOM 383 CZ PHE A 26 67.246 6.611 -0.815 1.00 0.00 C ATOM 0 H PHE A 26 64.639 7.790 5.216 1.00 0.00 H new ATOM 0 HA PHE A 26 67.224 7.253 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.896 6.440 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.516 8.071 2.846 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.689 9.098 0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 26 66.456 5.042 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.793 8.667 -1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 26 67.554 4.609 -0.080 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.727 6.423 -1.763 1.00 0.00 H new ATOM 393 N ASP A 27 66.191 10.328 3.814 1.00 0.00 N ATOM 394 CA ASP A 27 66.651 11.680 3.386 1.00 0.00 C ATOM 395 C ASP A 27 67.911 12.079 4.159 1.00 0.00 C ATOM 396 O ASP A 27 68.505 13.108 3.910 1.00 0.00 O ATOM 397 CB ASP A 27 65.494 12.621 3.725 1.00 0.00 C ATOM 398 CG ASP A 27 65.134 13.455 2.494 1.00 0.00 C ATOM 399 OD1 ASP A 27 66.034 14.046 1.920 1.00 0.00 O ATOM 400 OD2 ASP A 27 63.966 13.489 2.145 1.00 0.00 O ATOM 0 H ASP A 27 65.328 10.315 4.357 1.00 0.00 H new ATOM 0 HA ASP A 27 66.904 11.712 2.326 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.628 12.046 4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.774 13.275 4.551 1.00 0.00 H new ATOM 405 N MET A 28 68.322 11.269 5.097 1.00 0.00 N ATOM 406 CA MET A 28 69.544 11.604 5.886 1.00 0.00 C ATOM 407 C MET A 28 70.719 11.887 4.949 1.00 0.00 C ATOM 408 O MET A 28 71.612 12.646 5.268 1.00 0.00 O ATOM 409 CB MET A 28 69.823 10.360 6.732 1.00 0.00 C ATOM 410 CG MET A 28 68.819 10.289 7.883 1.00 0.00 C ATOM 411 SD MET A 28 69.235 11.537 9.125 1.00 0.00 S ATOM 412 CE MET A 28 67.613 12.337 9.192 1.00 0.00 C ATOM 0 H MET A 28 67.867 10.392 5.351 1.00 0.00 H new ATOM 0 HA MET A 28 69.406 12.494 6.500 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.749 9.464 6.115 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.840 10.394 7.124 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.809 10.455 7.509 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.833 9.296 8.331 1.00 0.00 H new ATOM 0 HE1 MET A 28 67.640 13.155 9.912 1.00 0.00 H new ATOM 0 HE2 MET A 28 67.359 12.728 8.207 1.00 0.00 H new ATOM 0 HE3 MET A 28 66.861 11.610 9.498 1.00 0.00 H new ATOM 422 N PHE A 29 70.730 11.277 3.795 1.00 0.00 N ATOM 423 CA PHE A 29 71.854 11.508 2.839 1.00 0.00 C ATOM 424 C PHE A 29 71.310 11.968 1.484 1.00 0.00 C ATOM 425 O PHE A 29 71.903 11.724 0.452 1.00 0.00 O ATOM 426 CB PHE A 29 72.559 10.153 2.696 1.00 0.00 C ATOM 427 CG PHE A 29 72.553 9.422 4.019 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.464 8.612 4.362 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.630 9.559 4.901 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.453 7.938 5.589 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.619 8.885 6.129 1.00 0.00 C ATOM 432 CZ PHE A 29 72.530 8.075 6.472 1.00 0.00 C ATOM 0 H PHE A 29 70.011 10.629 3.472 1.00 0.00 H new ATOM 0 HA PHE A 29 72.534 12.282 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.058 9.552 1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.585 10.302 2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.633 8.507 3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.470 10.184 4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.613 7.312 5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.450 8.990 6.811 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.521 7.555 7.419 1.00 0.00 H new ATOM 442 N ASP A 30 70.186 12.629 1.478 1.00 0.00 N ATOM 443 CA ASP A 30 69.607 13.099 0.186 1.00 0.00 C ATOM 444 C ASP A 30 69.810 14.608 0.032 1.00 0.00 C ATOM 445 O ASP A 30 69.063 15.278 -0.653 1.00 0.00 O ATOM 446 CB ASP A 30 68.119 12.764 0.274 1.00 0.00 C ATOM 447 CG ASP A 30 67.902 11.299 -0.109 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.995 10.994 -1.286 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.647 10.505 0.783 1.00 0.00 O ATOM 0 H ASP A 30 69.644 12.864 2.309 1.00 0.00 H new ATOM 0 HA ASP A 30 70.081 12.627 -0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.754 12.944 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.549 13.413 -0.391 1.00 0.00 H new ATOM 490 N GLY A 35 65.680 12.090 -3.578 1.00 0.00 N ATOM 491 CA GLY A 35 65.019 10.816 -3.174 1.00 0.00 C ATOM 492 C GLY A 35 65.967 9.644 -3.431 1.00 0.00 C ATOM 493 O GLY A 35 65.542 8.525 -3.636 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.748 10.853 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.095 10.680 -3.736 1.00 0.00 H new ATOM 497 N ASP A 36 67.247 9.892 -3.421 1.00 0.00 N ATOM 498 CA ASP A 36 68.222 8.789 -3.665 1.00 0.00 C ATOM 499 C ASP A 36 69.607 9.182 -3.144 1.00 0.00 C ATOM 500 O ASP A 36 70.157 10.198 -3.519 1.00 0.00 O ATOM 501 CB ASP A 36 68.253 8.616 -5.184 1.00 0.00 C ATOM 502 CG ASP A 36 68.677 9.931 -5.839 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.644 10.945 -5.160 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.026 9.903 -7.007 1.00 0.00 O ATOM 0 H ASP A 36 67.661 10.809 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 36 67.939 7.869 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.948 7.821 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.269 8.317 -5.547 1.00 0.00 H new ATOM 509 N ILE A 37 70.174 8.383 -2.284 1.00 0.00 N ATOM 510 CA ILE A 37 71.524 8.710 -1.741 1.00 0.00 C ATOM 511 C ILE A 37 72.600 7.943 -2.511 1.00 0.00 C ATOM 512 O ILE A 37 72.314 7.006 -3.232 1.00 0.00 O ATOM 513 CB ILE A 37 71.482 8.259 -0.281 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.449 6.729 -0.221 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.229 8.821 0.391 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.321 6.277 1.235 1.00 0.00 C ATOM 0 H ILE A 37 69.762 7.518 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 37 71.763 9.770 -1.832 1.00 0.00 H new ATOM 0 HB ILE A 37 72.368 8.625 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.611 6.350 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.357 6.318 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.199 8.499 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.250 9.910 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.343 8.455 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.298 5.188 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.174 6.644 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.400 6.676 1.660 1.00 0.00 H new ATOM 528 N SER A 38 73.838 8.330 -2.368 1.00 0.00 N ATOM 529 CA SER A 38 74.929 7.620 -3.094 1.00 0.00 C ATOM 530 C SER A 38 74.889 6.124 -2.770 1.00 0.00 C ATOM 531 O SER A 38 74.840 5.730 -1.623 1.00 0.00 O ATOM 532 CB SER A 38 76.223 8.248 -2.579 1.00 0.00 C ATOM 533 OG SER A 38 76.693 9.195 -3.528 1.00 0.00 O ATOM 0 H SER A 38 74.141 9.107 -1.780 1.00 0.00 H new ATOM 0 HA SER A 38 74.836 7.714 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.049 8.733 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.975 7.477 -2.414 1.00 0.00 H new ATOM 0 HG SER A 38 77.522 9.602 -3.201 1.00 0.00 H new ATOM 539 N THR A 39 74.908 5.290 -3.773 1.00 0.00 N ATOM 540 CA THR A 39 74.868 3.820 -3.523 1.00 0.00 C ATOM 541 C THR A 39 75.820 3.450 -2.381 1.00 0.00 C ATOM 542 O THR A 39 75.594 2.502 -1.656 1.00 0.00 O ATOM 543 CB THR A 39 75.331 3.184 -4.834 1.00 0.00 C ATOM 544 OG1 THR A 39 76.510 3.835 -5.286 1.00 0.00 O ATOM 545 CG2 THR A 39 74.231 3.325 -5.888 1.00 0.00 C ATOM 0 H THR A 39 74.949 5.562 -4.755 1.00 0.00 H new ATOM 0 HA THR A 39 73.875 3.478 -3.231 1.00 0.00 H new ATOM 0 HB THR A 39 75.541 2.127 -4.670 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.622 3.679 -6.247 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.562 2.871 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.328 2.823 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.018 4.381 -6.053 1.00 0.00 H new ATOM 553 N LYS A 40 76.881 4.192 -2.216 1.00 0.00 N ATOM 554 CA LYS A 40 77.845 3.881 -1.120 1.00 0.00 C ATOM 555 C LYS A 40 77.200 4.150 0.243 1.00 0.00 C ATOM 556 O LYS A 40 77.687 3.714 1.267 1.00 0.00 O ATOM 557 CB LYS A 40 79.026 4.824 -1.353 1.00 0.00 C ATOM 558 CG LYS A 40 80.249 4.013 -1.788 1.00 0.00 C ATOM 559 CD LYS A 40 81.147 4.879 -2.674 1.00 0.00 C ATOM 560 CE LYS A 40 81.446 6.200 -1.963 1.00 0.00 C ATOM 561 NZ LYS A 40 81.953 5.807 -0.618 1.00 0.00 N ATOM 0 H LYS A 40 77.123 4.999 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 40 78.153 2.835 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.773 5.559 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.249 5.377 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.803 3.673 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.933 3.123 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.076 4.353 -2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.657 5.071 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.187 6.783 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 40 80.551 6.817 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.610 6.533 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.154 5.717 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.449 4.895 -0.687 1.00 0.00 H new ATOM 575 N GLU A 41 76.108 4.862 0.261 1.00 0.00 N ATOM 576 CA GLU A 41 75.430 5.159 1.555 1.00 0.00 C ATOM 577 C GLU A 41 74.114 4.383 1.649 1.00 0.00 C ATOM 578 O GLU A 41 73.441 4.403 2.661 1.00 0.00 O ATOM 579 CB GLU A 41 75.162 6.664 1.528 1.00 0.00 C ATOM 580 CG GLU A 41 74.611 7.109 2.885 1.00 0.00 C ATOM 581 CD GLU A 41 75.749 7.662 3.742 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.460 6.867 4.333 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.890 8.873 3.793 1.00 0.00 O ATOM 0 H GLU A 41 75.655 5.252 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 41 76.035 4.869 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.082 7.204 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.450 6.903 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.844 7.870 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.137 6.268 3.390 1.00 0.00 H new ATOM 590 N LEU A 42 73.741 3.702 0.601 1.00 0.00 N ATOM 591 CA LEU A 42 72.467 2.928 0.630 1.00 0.00 C ATOM 592 C LEU A 42 72.521 1.858 1.722 1.00 0.00 C ATOM 593 O LEU A 42 71.505 1.412 2.216 1.00 0.00 O ATOM 594 CB LEU A 42 72.364 2.282 -0.752 1.00 0.00 C ATOM 595 CG LEU A 42 71.321 1.163 -0.718 1.00 0.00 C ATOM 596 CD1 LEU A 42 70.478 1.212 -1.993 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.029 -0.191 -0.628 1.00 0.00 C ATOM 0 H LEU A 42 74.262 3.648 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 42 71.606 3.559 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.086 3.030 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.333 1.881 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 42 70.675 1.295 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 42 69.735 0.415 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.974 2.176 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.124 1.080 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.287 -0.989 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.675 -0.322 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.631 -0.227 0.280 1.00 0.00 H new ATOM 609 N GLY A 43 73.697 1.444 2.105 1.00 0.00 N ATOM 610 CA GLY A 43 73.810 0.405 3.167 1.00 0.00 C ATOM 611 C GLY A 43 73.592 1.054 4.535 1.00 0.00 C ATOM 612 O GLY A 43 73.194 0.407 5.484 1.00 0.00 O ATOM 0 H GLY A 43 74.584 1.780 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.073 -0.381 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 43 74.792 -0.066 3.128 1.00 0.00 H new ATOM 616 N THR A 44 73.850 2.329 4.643 1.00 0.00 N ATOM 617 CA THR A 44 73.658 3.022 5.949 1.00 0.00 C ATOM 618 C THR A 44 72.167 3.238 6.223 1.00 0.00 C ATOM 619 O THR A 44 71.655 2.855 7.256 1.00 0.00 O ATOM 620 CB THR A 44 74.374 4.363 5.794 1.00 0.00 C ATOM 621 OG1 THR A 44 75.779 4.156 5.841 1.00 0.00 O ATOM 622 CG2 THR A 44 73.956 5.301 6.927 1.00 0.00 C ATOM 0 H THR A 44 74.186 2.921 3.883 1.00 0.00 H new ATOM 0 HA THR A 44 74.052 2.443 6.784 1.00 0.00 H new ATOM 0 HB THR A 44 74.104 4.811 4.838 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.236 4.915 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.467 6.257 6.815 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.878 5.459 6.889 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.224 4.856 7.885 1.00 0.00 H new ATOM 630 N VAL A 45 71.467 3.854 5.309 1.00 0.00 N ATOM 631 CA VAL A 45 70.012 4.097 5.526 1.00 0.00 C ATOM 632 C VAL A 45 69.323 2.813 5.994 1.00 0.00 C ATOM 633 O VAL A 45 68.541 2.822 6.925 1.00 0.00 O ATOM 634 CB VAL A 45 69.468 4.533 4.166 1.00 0.00 C ATOM 635 CG1 VAL A 45 69.746 3.445 3.128 1.00 0.00 C ATOM 636 CG2 VAL A 45 67.958 4.760 4.275 1.00 0.00 C ATOM 0 H VAL A 45 71.839 4.199 4.424 1.00 0.00 H new ATOM 0 HA VAL A 45 69.834 4.850 6.293 1.00 0.00 H new ATOM 0 HB VAL A 45 69.957 5.457 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.357 3.758 2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 45 70.821 3.281 3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.258 2.519 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.566 5.071 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.472 3.834 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.759 5.537 5.014 1.00 0.00 H new ATOM 646 N MET A 46 69.607 1.706 5.362 1.00 0.00 N ATOM 647 CA MET A 46 68.964 0.427 5.784 1.00 0.00 C ATOM 648 C MET A 46 69.583 -0.053 7.098 1.00 0.00 C ATOM 649 O MET A 46 68.955 -0.743 7.876 1.00 0.00 O ATOM 650 CB MET A 46 69.250 -0.563 4.653 1.00 0.00 C ATOM 651 CG MET A 46 70.760 -0.701 4.454 1.00 0.00 C ATOM 652 SD MET A 46 71.147 -2.400 3.963 1.00 0.00 S ATOM 653 CE MET A 46 70.048 -2.478 2.529 1.00 0.00 C ATOM 0 H MET A 46 70.253 1.631 4.576 1.00 0.00 H new ATOM 0 HA MET A 46 67.893 0.536 5.955 1.00 0.00 H new ATOM 0 HB2 MET A 46 68.815 -1.534 4.889 1.00 0.00 H new ATOM 0 HB3 MET A 46 68.782 -0.220 3.730 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.103 -0.003 3.691 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.284 -0.448 5.376 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.400 -3.248 1.842 1.00 0.00 H new ATOM 0 HE2 MET A 46 69.037 -2.720 2.858 1.00 0.00 H new ATOM 0 HE3 MET A 46 70.044 -1.514 2.021 1.00 0.00 H new ATOM 663 N ARG A 47 70.807 0.317 7.357 1.00 0.00 N ATOM 664 CA ARG A 47 71.463 -0.108 8.625 1.00 0.00 C ATOM 665 C ARG A 47 71.032 0.821 9.761 1.00 0.00 C ATOM 666 O ARG A 47 70.643 0.380 10.825 1.00 0.00 O ATOM 667 CB ARG A 47 72.962 0.024 8.360 1.00 0.00 C ATOM 668 CG ARG A 47 73.743 -0.521 9.557 1.00 0.00 C ATOM 669 CD ARG A 47 74.673 0.567 10.100 1.00 0.00 C ATOM 670 NE ARG A 47 76.019 -0.069 10.151 1.00 0.00 N ATOM 671 CZ ARG A 47 76.235 -1.077 10.950 1.00 0.00 C ATOM 672 NH1 ARG A 47 75.929 -0.984 12.215 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.756 -2.179 10.484 1.00 0.00 N ATOM 0 H ARG A 47 71.381 0.896 6.744 1.00 0.00 H new ATOM 0 HA ARG A 47 71.195 -1.123 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.232 -0.523 7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.221 1.069 8.189 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.054 -0.847 10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.323 -1.394 9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 47 74.675 1.444 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 47 74.356 0.901 11.088 1.00 0.00 H new ATOM 0 HE ARG A 47 76.772 0.284 9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 47 75.521 -0.123 12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 47 76.098 -1.772 12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 47 76.994 -2.252 9.495 1.00 0.00 H new ATOM 0 HH22 ARG A 47 76.925 -2.967 11.109 1.00 0.00 H new ATOM 687 N MET A 48 71.085 2.105 9.537 1.00 0.00 N ATOM 688 CA MET A 48 70.666 3.066 10.595 1.00 0.00 C ATOM 689 C MET A 48 69.152 2.979 10.802 1.00 0.00 C ATOM 690 O MET A 48 68.600 3.584 11.699 1.00 0.00 O ATOM 691 CB MET A 48 71.059 4.442 10.056 1.00 0.00 C ATOM 692 CG MET A 48 71.476 5.348 11.216 1.00 0.00 C ATOM 693 SD MET A 48 73.250 5.161 11.520 1.00 0.00 S ATOM 694 CE MET A 48 73.159 5.011 13.322 1.00 0.00 C ATOM 0 H MET A 48 71.401 2.530 8.665 1.00 0.00 H new ATOM 0 HA MET A 48 71.134 2.861 11.558 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.879 4.344 9.345 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.221 4.886 9.518 1.00 0.00 H new ATOM 0 HG2 MET A 48 71.244 6.387 10.982 1.00 0.00 H new ATOM 0 HG3 MET A 48 70.913 5.090 12.113 1.00 0.00 H new ATOM 0 HE1 MET A 48 74.163 4.885 13.728 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.709 5.912 13.740 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.550 4.146 13.585 1.00 0.00 H new ATOM 704 N LEU A 49 68.477 2.226 9.974 1.00 0.00 N ATOM 705 CA LEU A 49 67.000 2.093 10.116 1.00 0.00 C ATOM 706 C LEU A 49 66.665 0.983 11.117 1.00 0.00 C ATOM 707 O LEU A 49 65.540 0.851 11.559 1.00 0.00 O ATOM 708 CB LEU A 49 66.503 1.727 8.715 1.00 0.00 C ATOM 709 CG LEU A 49 65.756 2.916 8.099 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.535 4.208 8.357 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.616 2.701 6.591 1.00 0.00 C ATOM 0 H LEU A 49 68.887 1.697 9.204 1.00 0.00 H new ATOM 0 HA LEU A 49 66.533 3.005 10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.346 1.448 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.844 0.860 8.768 1.00 0.00 H new ATOM 0 HG LEU A 49 64.768 2.994 8.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.000 5.050 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.636 4.364 9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 49 67.525 4.132 7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.085 3.545 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 49 66.606 2.620 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.057 1.784 6.405 1.00 0.00 H new ATOM 723 N GLY A 50 67.635 0.186 11.482 1.00 0.00 N ATOM 724 CA GLY A 50 67.370 -0.908 12.460 1.00 0.00 C ATOM 725 C GLY A 50 67.851 -2.250 11.899 1.00 0.00 C ATOM 726 O GLY A 50 67.408 -3.300 12.320 1.00 0.00 O ATOM 0 H GLY A 50 68.596 0.246 11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.879 -0.696 13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.303 -0.959 12.679 1.00 0.00 H new ATOM 730 N GLN A 51 68.757 -2.235 10.958 1.00 0.00 N ATOM 731 CA GLN A 51 69.256 -3.521 10.387 1.00 0.00 C ATOM 732 C GLN A 51 70.787 -3.542 10.373 1.00 0.00 C ATOM 733 O GLN A 51 71.435 -2.725 10.997 1.00 0.00 O ATOM 734 CB GLN A 51 68.706 -3.568 8.962 1.00 0.00 C ATOM 735 CG GLN A 51 67.185 -3.402 8.993 1.00 0.00 C ATOM 736 CD GLN A 51 66.820 -1.967 8.610 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.912 -1.067 9.421 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.405 -1.714 7.398 1.00 0.00 N ATOM 0 H GLN A 51 69.172 -1.392 10.561 1.00 0.00 H new ATOM 0 HA GLN A 51 68.934 -4.380 10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.156 -2.777 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.969 -4.515 8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 51 66.718 -4.104 8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.804 -3.632 9.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.328 -2.470 6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.158 -0.761 7.132 1.00 0.00 H new ATOM 747 N ASN A 52 71.371 -4.472 9.666 1.00 0.00 N ATOM 748 CA ASN A 52 72.859 -4.549 9.612 1.00 0.00 C ATOM 749 C ASN A 52 73.304 -5.326 8.369 1.00 0.00 C ATOM 750 O ASN A 52 73.437 -6.534 8.406 1.00 0.00 O ATOM 751 CB ASN A 52 73.262 -5.297 10.883 1.00 0.00 C ATOM 752 CG ASN A 52 74.320 -4.491 11.637 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.492 -4.810 11.590 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.956 -3.451 12.337 1.00 0.00 N ATOM 0 H ASN A 52 70.881 -5.183 9.123 1.00 0.00 H new ATOM 0 HA ASN A 52 73.322 -3.564 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.389 -5.454 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.653 -6.282 10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 52 74.655 -2.907 12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.973 -3.182 12.377 1.00 0.00 H new ATOM 761 N PRO A 53 73.518 -4.601 7.306 1.00 0.00 N ATOM 762 CA PRO A 53 73.952 -5.225 6.032 1.00 0.00 C ATOM 763 C PRO A 53 75.426 -5.634 6.112 1.00 0.00 C ATOM 764 O PRO A 53 76.278 -4.845 6.466 1.00 0.00 O ATOM 765 CB PRO A 53 73.762 -4.115 5.006 1.00 0.00 C ATOM 766 CG PRO A 53 73.848 -2.842 5.789 1.00 0.00 C ATOM 767 CD PRO A 53 73.377 -3.146 7.188 1.00 0.00 C ATOM 0 HA PRO A 53 73.394 -6.129 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.530 -4.156 4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.799 -4.204 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.871 -2.466 5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 53 73.229 -2.068 5.334 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.979 -2.626 7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.344 -2.832 7.338 1.00 0.00 H new ATOM 775 N THR A 54 75.734 -6.856 5.779 1.00 0.00 N ATOM 776 CA THR A 54 77.154 -7.301 5.831 1.00 0.00 C ATOM 777 C THR A 54 77.994 -6.478 4.852 1.00 0.00 C ATOM 778 O THR A 54 77.575 -6.195 3.747 1.00 0.00 O ATOM 779 CB THR A 54 77.129 -8.772 5.413 1.00 0.00 C ATOM 780 OG1 THR A 54 76.552 -8.884 4.120 1.00 0.00 O ATOM 781 CG2 THR A 54 76.299 -9.575 6.416 1.00 0.00 C ATOM 0 H THR A 54 75.066 -7.564 5.474 1.00 0.00 H new ATOM 0 HA THR A 54 77.593 -7.171 6.820 1.00 0.00 H new ATOM 0 HB THR A 54 78.146 -9.163 5.393 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.580 -9.819 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.282 -10.623 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.742 -9.488 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.281 -9.187 6.438 1.00 0.00 H new ATOM 789 N LYS A 55 79.173 -6.087 5.246 1.00 0.00 N ATOM 790 CA LYS A 55 80.027 -5.278 4.330 1.00 0.00 C ATOM 791 C LYS A 55 80.036 -5.895 2.929 1.00 0.00 C ATOM 792 O LYS A 55 80.026 -5.198 1.934 1.00 0.00 O ATOM 793 CB LYS A 55 81.426 -5.323 4.943 1.00 0.00 C ATOM 794 CG LYS A 55 82.356 -4.410 4.144 1.00 0.00 C ATOM 795 CD LYS A 55 83.706 -4.307 4.856 1.00 0.00 C ATOM 796 CE LYS A 55 84.524 -3.171 4.239 1.00 0.00 C ATOM 797 NZ LYS A 55 83.961 -1.926 4.833 1.00 0.00 N ATOM 0 H LYS A 55 79.582 -6.291 6.158 1.00 0.00 H new ATOM 0 HA LYS A 55 79.662 -4.256 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.390 -5.003 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.806 -6.345 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.493 -4.804 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.911 -3.420 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.555 -4.124 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 55 84.248 -5.249 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 55 85.584 -3.276 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 55 84.435 -3.165 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 83.734 -1.251 4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.096 -2.155 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 84.659 -1.502 5.476 1.00 0.00 H new ATOM 811 N GLU A 56 80.057 -7.197 2.843 1.00 0.00 N ATOM 812 CA GLU A 56 80.067 -7.854 1.505 1.00 0.00 C ATOM 813 C GLU A 56 78.703 -7.695 0.828 1.00 0.00 C ATOM 814 O GLU A 56 78.560 -7.912 -0.359 1.00 0.00 O ATOM 815 CB GLU A 56 80.359 -9.328 1.788 1.00 0.00 C ATOM 816 CG GLU A 56 81.823 -9.628 1.467 1.00 0.00 C ATOM 817 CD GLU A 56 81.901 -10.760 0.441 1.00 0.00 C ATOM 818 OE1 GLU A 56 81.233 -11.761 0.640 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.627 -10.606 -0.528 1.00 0.00 O ATOM 0 H GLU A 56 80.068 -7.833 3.640 1.00 0.00 H new ATOM 0 HA GLU A 56 80.806 -7.415 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.150 -9.557 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.707 -9.961 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 56 82.311 -8.735 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 56 82.355 -9.910 2.376 1.00 0.00 H new ATOM 826 N GLU A 57 77.700 -7.313 1.572 1.00 0.00 N ATOM 827 CA GLU A 57 76.350 -7.138 0.967 1.00 0.00 C ATOM 828 C GLU A 57 76.213 -5.728 0.387 1.00 0.00 C ATOM 829 O GLU A 57 75.557 -5.520 -0.614 1.00 0.00 O ATOM 830 CB GLU A 57 75.365 -7.348 2.118 1.00 0.00 C ATOM 831 CG GLU A 57 74.809 -8.772 2.061 1.00 0.00 C ATOM 832 CD GLU A 57 73.410 -8.748 1.442 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.611 -7.929 1.866 1.00 0.00 O ATOM 834 OE2 GLU A 57 73.162 -9.549 0.556 1.00 0.00 O ATOM 0 H GLU A 57 77.758 -7.115 2.571 1.00 0.00 H new ATOM 0 HA GLU A 57 76.169 -7.836 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.863 -7.179 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.551 -6.626 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.469 -9.408 1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.768 -9.198 3.063 1.00 0.00 H new ATOM 841 N LEU A 58 76.832 -4.758 1.004 1.00 0.00 N ATOM 842 CA LEU A 58 76.739 -3.366 0.481 1.00 0.00 C ATOM 843 C LEU A 58 77.447 -3.270 -0.873 1.00 0.00 C ATOM 844 O LEU A 58 76.887 -2.806 -1.846 1.00 0.00 O ATOM 845 CB LEU A 58 77.447 -2.496 1.522 1.00 0.00 C ATOM 846 CG LEU A 58 76.770 -2.671 2.883 1.00 0.00 C ATOM 847 CD1 LEU A 58 77.266 -1.588 3.843 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.254 -2.547 2.717 1.00 0.00 C ATOM 0 H LEU A 58 77.397 -4.869 1.846 1.00 0.00 H new ATOM 0 HA LEU A 58 75.707 -3.049 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.499 -2.775 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.413 -1.449 1.220 1.00 0.00 H new ATOM 0 HG LEU A 58 77.014 -3.654 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.784 -1.713 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 58 78.346 -1.674 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 58 77.022 -0.605 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.770 -2.672 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 58 75.011 -1.564 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.899 -3.317 2.033 1.00 0.00 H new ATOM 860 N ASP A 59 78.674 -3.710 -0.943 1.00 0.00 N ATOM 861 CA ASP A 59 79.413 -3.650 -2.236 1.00 0.00 C ATOM 862 C ASP A 59 78.771 -4.599 -3.251 1.00 0.00 C ATOM 863 O ASP A 59 78.952 -4.462 -4.445 1.00 0.00 O ATOM 864 CB ASP A 59 80.834 -4.105 -1.902 1.00 0.00 C ATOM 865 CG ASP A 59 80.830 -5.602 -1.591 1.00 0.00 C ATOM 866 OD1 ASP A 59 79.852 -6.068 -1.029 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.805 -6.259 -1.919 1.00 0.00 O ATOM 0 H ASP A 59 79.196 -4.108 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 59 79.398 -2.653 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.500 -3.899 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.215 -3.546 -1.047 1.00 0.00 H new ATOM 872 N ALA A 60 78.021 -5.559 -2.784 1.00 0.00 N ATOM 873 CA ALA A 60 77.366 -6.516 -3.722 1.00 0.00 C ATOM 874 C ALA A 60 76.045 -5.935 -4.233 1.00 0.00 C ATOM 875 O ALA A 60 75.737 -6.008 -5.407 1.00 0.00 O ATOM 876 CB ALA A 60 77.110 -7.774 -2.892 1.00 0.00 C ATOM 0 H ALA A 60 77.833 -5.723 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 60 77.983 -6.723 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.628 -8.528 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 60 78.057 -8.163 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.462 -7.529 -2.051 1.00 0.00 H new ATOM 882 N ILE A 61 75.261 -5.359 -3.363 1.00 0.00 N ATOM 883 CA ILE A 61 73.961 -4.777 -3.806 1.00 0.00 C ATOM 884 C ILE A 61 74.204 -3.490 -4.597 1.00 0.00 C ATOM 885 O ILE A 61 73.717 -3.324 -5.697 1.00 0.00 O ATOM 886 CB ILE A 61 73.197 -4.482 -2.515 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.654 -5.790 -1.934 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.031 -3.537 -2.816 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.948 -5.845 -0.435 1.00 0.00 C ATOM 0 H ILE A 61 75.463 -5.266 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 61 73.406 -5.450 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 61 73.868 -4.014 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.580 -5.859 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.113 -6.641 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.486 -3.327 -1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.416 -2.605 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.360 -4.005 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.561 -6.777 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.025 -5.796 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.468 -5.001 0.061 1.00 0.00 H new ATOM 901 N ILE A 62 74.956 -2.578 -4.045 1.00 0.00 N ATOM 902 CA ILE A 62 75.232 -1.302 -4.765 1.00 0.00 C ATOM 903 C ILE A 62 75.522 -1.579 -6.244 1.00 0.00 C ATOM 904 O ILE A 62 74.862 -1.062 -7.124 1.00 0.00 O ATOM 905 CB ILE A 62 76.468 -0.724 -4.078 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.070 -0.129 -2.726 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.079 0.370 -4.956 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.305 0.463 -2.047 1.00 0.00 C ATOM 0 H ILE A 62 75.392 -2.661 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 62 74.385 -0.617 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 62 77.200 -1.517 -3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.313 0.643 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.628 -0.899 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 62 77.961 0.781 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.365 -0.054 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.347 1.163 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.022 0.887 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.047 -0.321 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.727 1.245 -2.678 1.00 0.00 H new ATOM 920 N GLU A 63 76.508 -2.386 -6.520 1.00 0.00 N ATOM 921 CA GLU A 63 76.849 -2.695 -7.938 1.00 0.00 C ATOM 922 C GLU A 63 75.597 -3.118 -8.711 1.00 0.00 C ATOM 923 O GLU A 63 75.418 -2.763 -9.860 1.00 0.00 O ATOM 924 CB GLU A 63 77.847 -3.850 -7.859 1.00 0.00 C ATOM 925 CG GLU A 63 78.719 -3.857 -9.117 1.00 0.00 C ATOM 926 CD GLU A 63 79.712 -5.019 -9.044 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.650 -4.925 -8.270 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.516 -5.986 -9.764 1.00 0.00 O ATOM 0 H GLU A 63 77.094 -2.846 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 63 77.261 -1.831 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.471 -3.746 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.316 -4.798 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 63 78.094 -3.954 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 63 79.255 -2.912 -9.206 1.00 0.00 H new ATOM 935 N GLU A 64 74.730 -3.876 -8.097 1.00 0.00 N ATOM 936 CA GLU A 64 73.496 -4.319 -8.808 1.00 0.00 C ATOM 937 C GLU A 64 72.559 -3.123 -9.032 1.00 0.00 C ATOM 938 O GLU A 64 71.920 -3.008 -10.059 1.00 0.00 O ATOM 939 CB GLU A 64 72.872 -5.389 -7.889 1.00 0.00 C ATOM 940 CG GLU A 64 71.639 -4.840 -7.155 1.00 0.00 C ATOM 941 CD GLU A 64 71.045 -5.936 -6.267 1.00 0.00 C ATOM 942 OE1 GLU A 64 71.622 -6.207 -5.228 1.00 0.00 O ATOM 943 OE2 GLU A 64 70.023 -6.486 -6.643 1.00 0.00 O ATOM 0 H GLU A 64 74.822 -4.207 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 64 73.696 -4.727 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.589 -6.260 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.612 -5.724 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.917 -3.977 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.896 -4.498 -7.875 1.00 0.00 H new ATOM 950 N VAL A 65 72.476 -2.235 -8.080 1.00 0.00 N ATOM 951 CA VAL A 65 71.584 -1.050 -8.241 1.00 0.00 C ATOM 952 C VAL A 65 72.371 0.126 -8.824 1.00 0.00 C ATOM 953 O VAL A 65 71.823 1.173 -9.105 1.00 0.00 O ATOM 954 CB VAL A 65 71.095 -0.723 -6.829 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.300 -1.906 -6.277 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.298 -0.453 -5.921 1.00 0.00 C ATOM 0 H VAL A 65 72.986 -2.278 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 65 70.755 -1.247 -8.921 1.00 0.00 H new ATOM 0 HB VAL A 65 70.458 0.161 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.952 -1.673 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.443 -2.101 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.938 -2.789 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.949 -0.220 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.935 -1.337 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.867 0.390 -6.312 1.00 0.00 H new ATOM 966 N ASP A 66 73.653 -0.038 -9.010 1.00 0.00 N ATOM 967 CA ASP A 66 74.474 1.071 -9.575 1.00 0.00 C ATOM 968 C ASP A 66 74.132 1.281 -11.053 1.00 0.00 C ATOM 969 O ASP A 66 74.553 2.241 -11.667 1.00 0.00 O ATOM 970 CB ASP A 66 75.924 0.611 -9.422 1.00 0.00 C ATOM 971 CG ASP A 66 76.819 1.825 -9.165 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.273 2.416 -10.133 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.035 2.144 -8.008 1.00 0.00 O ATOM 0 H ASP A 66 74.167 -0.892 -8.795 1.00 0.00 H new ATOM 0 HA ASP A 66 74.292 2.018 -9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.007 -0.097 -8.597 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.249 0.090 -10.323 1.00 0.00 H new ATOM 1030 N THR A 72 73.345 6.194 -7.953 1.00 0.00 N ATOM 1031 CA THR A 72 72.399 6.468 -6.833 1.00 0.00 C ATOM 1032 C THR A 72 71.312 5.392 -6.782 1.00 0.00 C ATOM 1033 O THR A 72 71.205 4.561 -7.661 1.00 0.00 O ATOM 1034 CB THR A 72 71.789 7.833 -7.159 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.651 7.962 -8.567 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.700 8.941 -6.627 1.00 0.00 C ATOM 0 HA THR A 72 72.894 6.463 -5.862 1.00 0.00 H new ATOM 0 HB THR A 72 70.809 7.917 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 72 72.307 7.388 -9.014 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.265 9.913 -6.860 1.00 0.00 H new ATOM 0 HG22 THR A 72 72.804 8.839 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.681 8.861 -7.095 1.00 0.00 H new ATOM 1044 N ILE A 73 70.504 5.403 -5.758 1.00 0.00 N ATOM 1045 CA ILE A 73 69.423 4.381 -5.650 1.00 0.00 C ATOM 1046 C ILE A 73 68.064 5.068 -5.488 1.00 0.00 C ATOM 1047 O ILE A 73 67.924 6.022 -4.750 1.00 0.00 O ATOM 1048 CB ILE A 73 69.767 3.570 -4.401 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.777 2.414 -4.256 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.682 4.470 -3.166 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.343 1.169 -4.942 1.00 0.00 C ATOM 0 H ILE A 73 70.545 6.075 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 73 69.358 3.752 -6.538 1.00 0.00 H new ATOM 0 HB ILE A 73 70.779 3.175 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.593 2.209 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.819 2.684 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 73 69.927 3.891 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.387 5.295 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.671 4.866 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.638 0.344 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.505 1.378 -5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.290 0.896 -4.477 1.00 0.00 H new ATOM 1063 N ASP A 74 67.062 4.590 -6.174 1.00 0.00 N ATOM 1064 CA ASP A 74 65.714 5.217 -6.059 1.00 0.00 C ATOM 1065 C ASP A 74 64.984 4.674 -4.828 1.00 0.00 C ATOM 1066 O ASP A 74 64.927 3.481 -4.606 1.00 0.00 O ATOM 1067 CB ASP A 74 64.980 4.816 -7.340 1.00 0.00 C ATOM 1068 CG ASP A 74 65.486 5.667 -8.506 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.045 6.798 -8.623 1.00 0.00 O ATOM 1070 OD2 ASP A 74 66.306 5.172 -9.263 1.00 0.00 O ATOM 0 H ASP A 74 67.118 3.793 -6.809 1.00 0.00 H new ATOM 0 HA ASP A 74 65.769 6.300 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.144 3.759 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 74 63.906 4.954 -7.215 1.00 0.00 H new ATOM 1075 N PHE A 75 64.425 5.539 -4.025 1.00 0.00 N ATOM 1076 CA PHE A 75 63.702 5.066 -2.810 1.00 0.00 C ATOM 1077 C PHE A 75 62.840 3.849 -3.152 1.00 0.00 C ATOM 1078 O PHE A 75 62.919 2.820 -2.511 1.00 0.00 O ATOM 1079 CB PHE A 75 62.823 6.241 -2.380 1.00 0.00 C ATOM 1080 CG PHE A 75 62.291 5.985 -0.989 1.00 0.00 C ATOM 1081 CD1 PHE A 75 63.101 6.227 0.127 1.00 0.00 C ATOM 1082 CD2 PHE A 75 60.987 5.506 -0.815 1.00 0.00 C ATOM 1083 CE1 PHE A 75 62.608 5.989 1.415 1.00 0.00 C ATOM 1084 CE2 PHE A 75 60.494 5.269 0.473 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.304 5.510 1.588 1.00 0.00 C ATOM 0 H PHE A 75 64.438 6.550 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 75 64.386 4.762 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.399 7.166 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.997 6.367 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 75 64.107 6.597 -0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 75 60.361 5.319 -1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 75 63.234 6.175 2.276 1.00 0.00 H new ATOM 0 HE2 PHE A 75 59.488 4.900 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.923 5.327 2.582 1.00 0.00 H new ATOM 1095 N GLU A 76 62.018 3.953 -4.163 1.00 0.00 N ATOM 1096 CA GLU A 76 61.160 2.794 -4.540 1.00 0.00 C ATOM 1097 C GLU A 76 62.029 1.550 -4.741 1.00 0.00 C ATOM 1098 O GLU A 76 61.709 0.476 -4.273 1.00 0.00 O ATOM 1099 CB GLU A 76 60.483 3.204 -5.850 1.00 0.00 C ATOM 1100 CG GLU A 76 61.541 3.400 -6.937 1.00 0.00 C ATOM 1101 CD GLU A 76 60.886 3.987 -8.190 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.722 4.344 -8.114 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.560 4.069 -9.203 1.00 0.00 O ATOM 0 H GLU A 76 61.905 4.786 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 76 60.426 2.550 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 76 59.770 2.439 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 76 59.920 4.126 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.326 4.066 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.014 2.447 -7.174 1.00 0.00 H new ATOM 1110 N GLU A 77 63.134 1.692 -5.421 1.00 0.00 N ATOM 1111 CA GLU A 77 64.029 0.521 -5.637 1.00 0.00 C ATOM 1112 C GLU A 77 64.777 0.206 -4.341 1.00 0.00 C ATOM 1113 O GLU A 77 65.167 -0.918 -4.091 1.00 0.00 O ATOM 1114 CB GLU A 77 65.004 0.961 -6.728 1.00 0.00 C ATOM 1115 CG GLU A 77 65.615 -0.272 -7.395 1.00 0.00 C ATOM 1116 CD GLU A 77 66.185 0.117 -8.760 1.00 0.00 C ATOM 1117 OE1 GLU A 77 66.656 1.235 -8.888 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.139 -0.710 -9.656 1.00 0.00 O ATOM 0 H GLU A 77 63.455 2.567 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 77 63.484 -0.378 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.486 1.569 -7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.790 1.582 -6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.402 -0.687 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 64.858 -1.048 -7.513 1.00 0.00 H new ATOM 1125 N PHE A 78 64.973 1.194 -3.513 1.00 0.00 N ATOM 1126 CA PHE A 78 65.689 0.963 -2.226 1.00 0.00 C ATOM 1127 C PHE A 78 64.786 0.181 -1.267 1.00 0.00 C ATOM 1128 O PHE A 78 65.252 -0.584 -0.446 1.00 0.00 O ATOM 1129 CB PHE A 78 65.982 2.363 -1.681 1.00 0.00 C ATOM 1130 CG PHE A 78 66.274 2.284 -0.200 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.421 1.620 0.252 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.396 2.871 0.720 1.00 0.00 C ATOM 1133 CE1 PHE A 78 67.691 1.545 1.624 1.00 0.00 C ATOM 1134 CE2 PHE A 78 65.665 2.796 2.091 1.00 0.00 C ATOM 1135 CZ PHE A 78 66.813 2.132 2.543 1.00 0.00 C ATOM 0 H PHE A 78 64.668 2.154 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 78 66.603 0.381 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 78 66.833 2.797 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.129 3.018 -1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.097 1.166 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.511 3.382 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.576 1.034 1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 78 64.988 3.249 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.021 2.073 3.601 1.00 0.00 H new ATOM 1145 N LEU A 79 63.499 0.366 -1.368 1.00 0.00 N ATOM 1146 CA LEU A 79 62.569 -0.367 -0.463 1.00 0.00 C ATOM 1147 C LEU A 79 62.984 -1.837 -0.367 1.00 0.00 C ATOM 1148 O LEU A 79 62.860 -2.461 0.668 1.00 0.00 O ATOM 1149 CB LEU A 79 61.193 -0.240 -1.119 1.00 0.00 C ATOM 1150 CG LEU A 79 60.417 0.906 -0.468 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.364 0.695 1.045 1.00 0.00 C ATOM 1152 CD2 LEU A 79 61.117 2.232 -0.773 1.00 0.00 C ATOM 0 H LEU A 79 63.051 0.992 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 79 62.574 0.034 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.304 -0.056 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.641 -1.173 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 79 59.402 0.929 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.811 1.513 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 79 59.866 -0.250 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 61.378 0.671 1.445 1.00 0.00 H new ATOM 0 HD21 LEU A 79 60.565 3.050 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 79 62.132 2.208 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 79 61.154 2.384 -1.852 1.00 0.00 H new ATOM 1164 N VAL A 80 63.480 -2.393 -1.439 1.00 0.00 N ATOM 1165 CA VAL A 80 63.908 -3.820 -1.408 1.00 0.00 C ATOM 1166 C VAL A 80 65.102 -3.989 -0.466 1.00 0.00 C ATOM 1167 O VAL A 80 65.134 -4.877 0.361 1.00 0.00 O ATOM 1168 CB VAL A 80 64.316 -4.144 -2.846 1.00 0.00 C ATOM 1169 CG1 VAL A 80 64.675 -5.627 -2.953 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.154 -3.832 -3.790 1.00 0.00 C ATOM 0 H VAL A 80 63.607 -1.921 -2.334 1.00 0.00 H new ATOM 0 HA VAL A 80 63.118 -4.480 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 80 65.180 -3.540 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 80 64.966 -5.858 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.504 -5.850 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.811 -6.231 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.445 -4.063 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 80 62.289 -4.435 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.898 -2.775 -3.715 1.00 0.00 H new ATOM 1180 N MET A 81 66.085 -3.140 -0.591 1.00 0.00 N ATOM 1181 CA MET A 81 67.281 -3.247 0.292 1.00 0.00 C ATOM 1182 C MET A 81 66.869 -3.162 1.765 1.00 0.00 C ATOM 1183 O MET A 81 66.938 -4.129 2.495 1.00 0.00 O ATOM 1184 CB MET A 81 68.158 -2.054 -0.092 1.00 0.00 C ATOM 1185 CG MET A 81 69.134 -2.471 -1.193 1.00 0.00 C ATOM 1186 SD MET A 81 68.215 -3.197 -2.572 1.00 0.00 S ATOM 1187 CE MET A 81 68.510 -1.869 -3.765 1.00 0.00 C ATOM 0 H MET A 81 66.112 -2.376 -1.267 1.00 0.00 H new ATOM 0 HA MET A 81 67.802 -4.196 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.536 -1.228 -0.437 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.707 -1.697 0.779 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.702 -1.607 -1.536 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.853 -3.191 -0.802 1.00 0.00 H new ATOM 0 HE1 MET A 81 68.279 -2.224 -4.769 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.874 -1.017 -3.526 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.556 -1.565 -3.720 1.00 0.00 H new ATOM 1197 N MET A 82 66.444 -2.010 2.206 1.00 0.00 N ATOM 1198 CA MET A 82 66.031 -1.859 3.633 1.00 0.00 C ATOM 1199 C MET A 82 65.098 -3.000 4.051 1.00 0.00 C ATOM 1200 O MET A 82 65.145 -3.473 5.169 1.00 0.00 O ATOM 1201 CB MET A 82 65.296 -0.517 3.706 1.00 0.00 C ATOM 1202 CG MET A 82 64.400 -0.342 2.477 1.00 0.00 C ATOM 1203 SD MET A 82 62.699 -0.032 3.014 1.00 0.00 S ATOM 1204 CE MET A 82 62.821 1.770 3.111 1.00 0.00 C ATOM 0 H MET A 82 66.364 -1.165 1.640 1.00 0.00 H new ATOM 0 HA MET A 82 66.889 -1.891 4.304 1.00 0.00 H new ATOM 0 HB2 MET A 82 64.695 -0.472 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.017 0.299 3.760 1.00 0.00 H new ATOM 0 HG2 MET A 82 64.758 0.488 1.867 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.439 -1.236 1.854 1.00 0.00 H new ATOM 0 HE1 MET A 82 61.887 2.178 3.499 1.00 0.00 H new ATOM 0 HE2 MET A 82 63.640 2.044 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.009 2.176 2.117 1.00 0.00 H new ATOM 1214 N VAL A 83 64.245 -3.443 3.167 1.00 0.00 N ATOM 1215 CA VAL A 83 63.311 -4.548 3.525 1.00 0.00 C ATOM 1216 C VAL A 83 64.025 -5.898 3.432 1.00 0.00 C ATOM 1217 O VAL A 83 64.131 -6.623 4.402 1.00 0.00 O ATOM 1218 CB VAL A 83 62.185 -4.463 2.496 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.293 -5.701 2.610 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.353 -3.207 2.759 1.00 0.00 C ATOM 0 H VAL A 83 64.155 -3.088 2.215 1.00 0.00 H new ATOM 0 HA VAL A 83 62.938 -4.459 4.545 1.00 0.00 H new ATOM 0 HB VAL A 83 62.610 -4.416 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.490 -5.640 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 83 61.887 -6.596 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 83 60.866 -5.751 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.549 -3.143 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 83 60.928 -3.256 3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 83 61.989 -2.326 2.677 1.00 0.00 H new ATOM 1230 N ARG A 84 64.515 -6.241 2.274 1.00 0.00 N ATOM 1231 CA ARG A 84 65.222 -7.543 2.120 1.00 0.00 C ATOM 1232 C ARG A 84 66.148 -7.785 3.315 1.00 0.00 C ATOM 1233 O ARG A 84 66.308 -8.899 3.772 1.00 0.00 O ATOM 1234 CB ARG A 84 66.027 -7.403 0.828 1.00 0.00 C ATOM 1235 CG ARG A 84 65.068 -7.341 -0.362 1.00 0.00 C ATOM 1236 CD ARG A 84 64.603 -8.756 -0.716 1.00 0.00 C ATOM 1237 NE ARG A 84 65.012 -8.950 -2.134 1.00 0.00 N ATOM 1238 CZ ARG A 84 65.185 -10.155 -2.603 1.00 0.00 C ATOM 1239 NH1 ARG A 84 64.158 -10.853 -3.004 1.00 0.00 N ATOM 1240 NH2 ARG A 84 66.386 -10.662 -2.671 1.00 0.00 N ATOM 0 H ARG A 84 64.457 -5.676 1.427 1.00 0.00 H new ATOM 0 HA ARG A 84 64.535 -8.388 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.639 -6.502 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.708 -8.247 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.210 -6.715 -0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.563 -6.884 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.066 -9.498 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.524 -8.858 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 84 65.157 -8.141 -2.739 1.00 0.00 H new ATOM 0 HH11 ARG A 84 63.220 -10.456 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 84 64.293 -11.795 -3.371 1.00 0.00 H new ATOM 0 HH21 ARG A 84 67.189 -10.116 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.522 -11.604 -3.038 1.00 0.00 H new ATOM 1254 N GLN A 85 66.754 -6.750 3.830 1.00 0.00 N ATOM 1255 CA GLN A 85 67.661 -6.927 5.000 1.00 0.00 C ATOM 1256 C GLN A 85 66.836 -7.099 6.277 1.00 0.00 C ATOM 1257 O GLN A 85 67.066 -8.000 7.059 1.00 0.00 O ATOM 1258 CB GLN A 85 68.488 -5.641 5.067 1.00 0.00 C ATOM 1259 CG GLN A 85 69.527 -5.759 6.185 1.00 0.00 C ATOM 1260 CD GLN A 85 70.401 -6.991 5.942 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.383 -6.922 5.230 1.00 0.00 O ATOM 1262 NE2 GLN A 85 70.083 -8.123 6.507 1.00 0.00 N ATOM 0 H GLN A 85 66.661 -5.792 3.492 1.00 0.00 H new ATOM 0 HA GLN A 85 68.294 -7.809 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.984 -5.465 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.837 -4.786 5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.145 -4.862 6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.029 -5.838 7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 85 69.259 -8.181 7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 85 70.659 -8.950 6.351 1.00 0.00 H new ATOM 1271 N MET A 86 65.874 -6.243 6.493 1.00 0.00 N ATOM 1272 CA MET A 86 65.034 -6.363 7.719 1.00 0.00 C ATOM 1273 C MET A 86 64.222 -7.658 7.678 1.00 0.00 C ATOM 1274 O MET A 86 63.809 -8.175 8.698 1.00 0.00 O ATOM 1275 CB MET A 86 64.108 -5.148 7.690 1.00 0.00 C ATOM 1276 CG MET A 86 64.461 -4.214 8.848 1.00 0.00 C ATOM 1277 SD MET A 86 62.957 -3.805 9.770 1.00 0.00 S ATOM 1278 CE MET A 86 63.625 -2.391 10.681 1.00 0.00 C ATOM 0 H MET A 86 65.634 -5.468 5.875 1.00 0.00 H new ATOM 0 HA MET A 86 65.635 -6.393 8.628 1.00 0.00 H new ATOM 0 HB2 MET A 86 64.209 -4.622 6.740 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.069 -5.467 7.769 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.186 -4.692 9.507 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.926 -3.305 8.468 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.819 -1.889 11.216 1.00 0.00 H new ATOM 0 HE2 MET A 86 64.372 -2.738 11.394 1.00 0.00 H new ATOM 0 HE3 MET A 86 64.087 -1.693 9.982 1.00 0.00 H new ATOM 1288 N LYS A 87 63.992 -8.190 6.508 1.00 0.00 N ATOM 1289 CA LYS A 87 63.211 -9.455 6.412 1.00 0.00 C ATOM 1290 C LYS A 87 63.775 -10.481 7.397 1.00 0.00 C ATOM 1291 O LYS A 87 63.087 -11.378 7.841 1.00 0.00 O ATOM 1292 CB LYS A 87 63.400 -9.928 4.970 1.00 0.00 C ATOM 1293 CG LYS A 87 62.378 -9.235 4.069 1.00 0.00 C ATOM 1294 CD LYS A 87 61.278 -10.228 3.687 1.00 0.00 C ATOM 1295 CE LYS A 87 61.546 -10.771 2.282 1.00 0.00 C ATOM 1296 NZ LYS A 87 62.174 -12.104 2.500 1.00 0.00 N ATOM 0 H LYS A 87 64.310 -7.805 5.619 1.00 0.00 H new ATOM 0 HA LYS A 87 62.157 -9.319 6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.411 -9.703 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.278 -11.010 4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 87 61.946 -8.377 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 87 62.867 -8.855 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.248 -11.047 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 87 60.304 -9.739 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.623 -10.858 1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 87 62.207 -10.110 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 62.342 -12.563 1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 63.079 -11.984 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 61.540 -12.697 3.073 1.00 0.00 H new ATOM 1310 N GLU A 88 65.025 -10.345 7.745 1.00 0.00 N ATOM 1311 CA GLU A 88 65.642 -11.299 8.708 1.00 0.00 C ATOM 1312 C GLU A 88 65.647 -10.687 10.111 1.00 0.00 C ATOM 1313 O GLU A 88 65.465 -11.369 11.100 1.00 0.00 O ATOM 1314 CB GLU A 88 67.072 -11.499 8.206 1.00 0.00 C ATOM 1315 CG GLU A 88 67.045 -11.908 6.733 1.00 0.00 C ATOM 1316 CD GLU A 88 66.988 -13.433 6.626 1.00 0.00 C ATOM 1317 OE1 GLU A 88 66.516 -14.055 7.563 1.00 0.00 O ATOM 1318 OE2 GLU A 88 67.418 -13.953 5.609 1.00 0.00 O ATOM 0 H GLU A 88 65.647 -9.612 7.403 1.00 0.00 H new ATOM 0 HA GLU A 88 65.098 -12.242 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.643 -10.579 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.572 -12.266 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 88 66.180 -11.466 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.932 -11.530 6.224 1.00 0.00 H new ATOM 1325 N ASP A 89 65.851 -9.400 10.201 1.00 0.00 N ATOM 1326 CA ASP A 89 65.865 -8.736 11.533 1.00 0.00 C ATOM 1327 C ASP A 89 64.433 -8.517 12.025 1.00 0.00 C ATOM 1328 O ASP A 89 64.172 -8.466 13.211 1.00 0.00 O ATOM 1329 CB ASP A 89 66.565 -7.396 11.300 1.00 0.00 C ATOM 1330 CG ASP A 89 67.262 -6.951 12.587 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.580 -6.445 13.463 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.466 -7.124 12.675 1.00 0.00 O ATOM 0 H ASP A 89 66.009 -8.780 9.407 1.00 0.00 H new ATOM 0 HA ASP A 89 66.374 -9.333 12.290 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.293 -7.490 10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.840 -6.644 10.989 1.00 0.00 H new ATOM 1337 N ALA A 90 63.500 -8.387 11.120 1.00 0.00 N ATOM 1338 CA ALA A 90 62.083 -8.173 11.534 1.00 0.00 C ATOM 1339 C ALA A 90 61.446 -9.503 11.942 1.00 0.00 C ATOM 1340 O ALA A 90 60.679 -10.035 11.157 1.00 0.00 O ATOM 1341 CB ALA A 90 61.391 -7.604 10.295 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.738 -9.968 13.032 1.00 0.00 O ATOM 0 H ALA A 90 63.658 -8.420 10.113 1.00 0.00 H new ATOM 0 HA ALA A 90 61.998 -7.505 12.391 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.340 -7.418 10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.872 -6.669 10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.467 -8.319 9.475 1.00 0.00 H new