USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 0.179 (180deg=0.145) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -4.7! C(o=-4.7!,f=-13!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 124 THR OG1 : rot -52:sc= 0.266 USER MOD Single : A 127 THR OG1 : rot -61:sc= 0.783 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.144 USER MOD Single : A 137 MET CE :methyl 179:sc= -0.107 (180deg=-0.108) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.43! X(o=-2.4!,f=-2.2) USER MOD Single : A 144 ASN : amide:sc= -3.68! C(o=-3.7!,f=-4.2!) USER MOD Single : A 157 MET CE :methyl 173:sc= -2.91 (180deg=-3.39) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 53.912 8.901 19.678 1.00 0.00 N ATOM 2 CA GLY A 91 55.314 8.525 19.516 1.00 0.00 C ATOM 3 C GLY A 91 55.465 7.450 18.445 1.00 0.00 C ATOM 4 O GLY A 91 56.525 7.302 17.837 1.00 0.00 O ATOM 0 HA2 GLY A 91 55.901 9.402 19.243 1.00 0.00 H new ATOM 0 HA3 GLY A 91 55.709 8.159 20.464 1.00 0.00 H new ATOM 8 N LYS A 92 54.389 6.700 18.222 1.00 0.00 N ATOM 9 CA LYS A 92 54.405 5.636 17.221 1.00 0.00 C ATOM 10 C LYS A 92 55.266 4.470 17.695 1.00 0.00 C ATOM 11 O LYS A 92 54.761 3.387 17.991 1.00 0.00 O ATOM 12 CB LYS A 92 54.956 6.159 15.893 1.00 0.00 C ATOM 13 CG LYS A 92 54.289 7.493 15.555 1.00 0.00 C ATOM 14 CD LYS A 92 54.220 7.660 14.036 1.00 0.00 C ATOM 15 CE LYS A 92 52.846 8.206 13.644 1.00 0.00 C ATOM 16 NZ LYS A 92 53.009 9.535 12.988 1.00 0.00 N ATOM 0 H LYS A 92 53.503 6.807 18.715 1.00 0.00 H new ATOM 0 HA LYS A 92 53.380 5.293 17.077 1.00 0.00 H new ATOM 0 HB2 LYS A 92 56.036 6.287 15.960 1.00 0.00 H new ATOM 0 HB3 LYS A 92 54.770 5.435 15.099 1.00 0.00 H new ATOM 0 HG2 LYS A 92 53.286 7.528 15.981 1.00 0.00 H new ATOM 0 HG3 LYS A 92 54.852 8.315 15.996 1.00 0.00 H new ATOM 0 HD2 LYS A 92 55.003 8.339 13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 92 54.396 6.702 13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 92 52.347 7.513 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 92 52.214 8.299 14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 52.077 9.983 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 53.615 10.141 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.449 9.409 12.054 1.00 0.00 H new ATOM 30 N SER A 93 56.573 4.703 17.764 1.00 0.00 N ATOM 31 CA SER A 93 57.499 3.664 18.205 1.00 0.00 C ATOM 32 C SER A 93 57.456 2.473 17.253 1.00 0.00 C ATOM 33 O SER A 93 56.737 2.484 16.253 1.00 0.00 O ATOM 34 CB SER A 93 57.140 3.187 19.612 1.00 0.00 C ATOM 35 OG SER A 93 58.329 3.061 20.382 1.00 0.00 O ATOM 0 H SER A 93 57.012 5.592 17.523 1.00 0.00 H new ATOM 0 HA SER A 93 58.502 4.090 18.211 1.00 0.00 H new ATOM 0 HB2 SER A 93 56.459 3.894 20.086 1.00 0.00 H new ATOM 0 HB3 SER A 93 56.621 2.230 19.563 1.00 0.00 H new ATOM 0 HG SER A 93 58.103 2.757 21.286 1.00 0.00 H new ATOM 41 N GLU A 94 58.235 1.445 17.577 1.00 0.00 N ATOM 42 CA GLU A 94 58.283 0.245 16.747 1.00 0.00 C ATOM 43 C GLU A 94 56.917 -0.436 16.709 1.00 0.00 C ATOM 44 O GLU A 94 56.663 -1.302 15.872 1.00 0.00 O ATOM 45 CB GLU A 94 59.316 -0.741 17.294 1.00 0.00 C ATOM 46 CG GLU A 94 60.647 -0.018 17.513 1.00 0.00 C ATOM 47 CD GLU A 94 60.859 0.218 19.005 1.00 0.00 C ATOM 48 OE1 GLU A 94 60.934 -0.757 19.734 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.945 1.371 19.395 1.00 0.00 O ATOM 0 H GLU A 94 58.836 1.418 18.400 1.00 0.00 H new ATOM 0 HA GLU A 94 58.565 0.546 15.738 1.00 0.00 H new ATOM 0 HB2 GLU A 94 58.964 -1.169 18.233 1.00 0.00 H new ATOM 0 HB3 GLU A 94 59.450 -1.568 16.597 1.00 0.00 H new ATOM 0 HG2 GLU A 94 61.466 -0.612 17.108 1.00 0.00 H new ATOM 0 HG3 GLU A 94 60.649 0.933 16.980 1.00 0.00 H new ATOM 56 N GLU A 95 56.041 -0.035 17.627 1.00 0.00 N ATOM 57 CA GLU A 95 54.701 -0.614 17.691 1.00 0.00 C ATOM 58 C GLU A 95 53.856 -0.145 16.511 1.00 0.00 C ATOM 59 O GLU A 95 53.256 -0.950 15.799 1.00 0.00 O ATOM 60 CB GLU A 95 54.003 -0.211 18.991 1.00 0.00 C ATOM 61 CG GLU A 95 52.621 -0.867 19.052 1.00 0.00 C ATOM 62 CD GLU A 95 51.555 0.156 18.678 1.00 0.00 C ATOM 63 OE1 GLU A 95 51.438 0.458 17.501 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.870 0.623 19.573 1.00 0.00 O ATOM 0 H GLU A 95 56.231 0.680 18.329 1.00 0.00 H new ATOM 0 HA GLU A 95 54.806 -1.698 17.655 1.00 0.00 H new ATOM 0 HB2 GLU A 95 54.602 -0.519 19.848 1.00 0.00 H new ATOM 0 HB3 GLU A 95 53.905 0.873 19.043 1.00 0.00 H new ATOM 0 HG2 GLU A 95 52.580 -1.717 18.370 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.434 -1.253 20.054 1.00 0.00 H new ATOM 71 N GLU A 96 53.816 1.170 16.313 1.00 0.00 N ATOM 72 CA GLU A 96 53.040 1.743 15.216 1.00 0.00 C ATOM 73 C GLU A 96 53.616 1.308 13.873 1.00 0.00 C ATOM 74 O GLU A 96 52.885 0.895 12.973 1.00 0.00 O ATOM 75 CB GLU A 96 53.052 3.271 15.292 1.00 0.00 C ATOM 76 CG GLU A 96 51.673 3.771 15.726 1.00 0.00 C ATOM 77 CD GLU A 96 51.098 4.681 14.646 1.00 0.00 C ATOM 78 OE1 GLU A 96 51.622 5.769 14.475 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.142 4.277 14.006 1.00 0.00 O ATOM 0 H GLU A 96 54.306 1.853 16.891 1.00 0.00 H new ATOM 0 HA GLU A 96 52.015 1.384 15.306 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.811 3.605 16.000 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.314 3.692 14.321 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.006 2.926 15.898 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.751 4.312 16.669 1.00 0.00 H new ATOM 86 N LEU A 97 54.936 1.404 13.750 1.00 0.00 N ATOM 87 CA LEU A 97 55.603 1.015 12.512 1.00 0.00 C ATOM 88 C LEU A 97 55.011 -0.286 11.981 1.00 0.00 C ATOM 89 O LEU A 97 54.772 -0.432 10.783 1.00 0.00 O ATOM 90 CB LEU A 97 57.102 0.825 12.747 1.00 0.00 C ATOM 91 CG LEU A 97 57.878 1.903 11.990 1.00 0.00 C ATOM 92 CD1 LEU A 97 59.379 1.676 12.171 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.529 1.831 10.502 1.00 0.00 C ATOM 0 H LEU A 97 55.559 1.744 14.483 1.00 0.00 H new ATOM 0 HA LEU A 97 55.452 1.809 11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 97 57.324 0.883 13.813 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.411 -0.165 12.410 1.00 0.00 H new ATOM 0 HG LEU A 97 57.610 2.884 12.381 1.00 0.00 H new ATOM 0 HD11 LEU A 97 59.931 2.445 11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 97 59.629 1.726 13.231 1.00 0.00 H new ATOM 0 HD13 LEU A 97 59.648 0.695 11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 97 58.082 2.599 9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 97 57.797 0.849 10.113 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.459 1.994 10.371 1.00 0.00 H new ATOM 105 N SER A 98 54.772 -1.229 12.889 1.00 0.00 N ATOM 106 CA SER A 98 54.201 -2.514 12.499 1.00 0.00 C ATOM 107 C SER A 98 53.122 -2.305 11.443 1.00 0.00 C ATOM 108 O SER A 98 53.056 -3.027 10.448 1.00 0.00 O ATOM 109 CB SER A 98 53.590 -3.222 13.708 1.00 0.00 C ATOM 110 OG SER A 98 54.626 -3.840 14.461 1.00 0.00 O ATOM 0 H SER A 98 54.962 -1.130 13.886 1.00 0.00 H new ATOM 0 HA SER A 98 55.000 -3.133 12.091 1.00 0.00 H new ATOM 0 HB2 SER A 98 53.050 -2.507 14.329 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.867 -3.969 13.380 1.00 0.00 H new ATOM 0 HG SER A 98 54.239 -4.294 15.238 1.00 0.00 H new ATOM 116 N ASP A 99 52.282 -1.300 11.669 1.00 0.00 N ATOM 117 CA ASP A 99 51.210 -0.990 10.729 1.00 0.00 C ATOM 118 C ASP A 99 51.799 -0.528 9.400 1.00 0.00 C ATOM 119 O ASP A 99 51.515 -1.097 8.346 1.00 0.00 O ATOM 120 CB ASP A 99 50.311 0.114 11.289 1.00 0.00 C ATOM 121 CG ASP A 99 49.635 -0.381 12.563 1.00 0.00 C ATOM 122 OD1 ASP A 99 49.305 -1.554 12.617 1.00 0.00 O ATOM 123 OD2 ASP A 99 49.459 0.420 13.467 1.00 0.00 O ATOM 0 H ASP A 99 52.321 -0.691 12.487 1.00 0.00 H new ATOM 0 HA ASP A 99 50.618 -1.892 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.901 1.006 11.500 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.560 0.396 10.551 1.00 0.00 H new ATOM 128 N LEU A 100 52.626 0.512 9.466 1.00 0.00 N ATOM 129 CA LEU A 100 53.259 1.049 8.265 1.00 0.00 C ATOM 130 C LEU A 100 53.746 -0.086 7.369 1.00 0.00 C ATOM 131 O LEU A 100 53.747 0.029 6.143 1.00 0.00 O ATOM 132 CB LEU A 100 54.446 1.940 8.636 1.00 0.00 C ATOM 133 CG LEU A 100 54.212 3.352 8.096 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.104 4.344 8.845 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.552 3.390 6.604 1.00 0.00 C ATOM 0 H LEU A 100 52.872 0.996 10.330 1.00 0.00 H new ATOM 0 HA LEU A 100 52.518 1.642 7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 100 54.568 1.969 9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.367 1.529 8.222 1.00 0.00 H new ATOM 0 HG LEU A 100 53.167 3.625 8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.935 5.349 8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 100 54.863 4.319 9.908 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.150 4.072 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.386 4.396 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.597 3.115 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 100 53.916 2.686 6.068 1.00 0.00 H new ATOM 147 N PHE A 101 54.153 -1.189 7.993 1.00 0.00 N ATOM 148 CA PHE A 101 54.631 -2.343 7.239 1.00 0.00 C ATOM 149 C PHE A 101 53.491 -2.925 6.413 1.00 0.00 C ATOM 150 O PHE A 101 53.571 -3.005 5.187 1.00 0.00 O ATOM 151 CB PHE A 101 55.171 -3.421 8.181 1.00 0.00 C ATOM 152 CG PHE A 101 56.166 -4.280 7.438 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.750 -5.041 6.339 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.504 -4.313 7.847 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.674 -5.835 5.649 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.427 -5.108 7.158 1.00 0.00 C ATOM 157 CZ PHE A 101 58.012 -5.869 6.058 1.00 0.00 C ATOM 0 H PHE A 101 54.161 -1.307 9.006 1.00 0.00 H new ATOM 0 HA PHE A 101 55.436 -2.014 6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.647 -2.959 9.046 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.353 -4.035 8.557 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.717 -5.016 6.024 1.00 0.00 H new ATOM 0 HD2 PHE A 101 57.824 -3.725 8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.354 -6.422 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.459 -5.135 7.475 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.724 -6.482 5.526 1.00 0.00 H new ATOM 167 N ARG A 102 52.419 -3.313 7.098 1.00 0.00 N ATOM 168 CA ARG A 102 51.256 -3.866 6.413 1.00 0.00 C ATOM 169 C ARG A 102 50.624 -2.785 5.547 1.00 0.00 C ATOM 170 O ARG A 102 50.163 -3.044 4.435 1.00 0.00 O ATOM 171 CB ARG A 102 50.222 -4.372 7.421 1.00 0.00 C ATOM 172 CG ARG A 102 49.173 -5.215 6.694 1.00 0.00 C ATOM 173 CD ARG A 102 48.187 -5.792 7.711 1.00 0.00 C ATOM 174 NE ARG A 102 47.191 -6.627 7.047 1.00 0.00 N ATOM 175 CZ ARG A 102 46.314 -7.339 7.749 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.334 -7.297 9.053 1.00 0.00 N ATOM 177 NH2 ARG A 102 45.433 -8.079 7.134 1.00 0.00 N ATOM 0 H ARG A 102 52.332 -3.256 8.113 1.00 0.00 H new ATOM 0 HA ARG A 102 51.580 -4.703 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.711 -4.967 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 102 49.744 -3.530 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.643 -4.604 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.657 -6.021 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.726 -6.381 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.692 -4.981 8.245 1.00 0.00 H new ATOM 0 HE ARG A 102 47.167 -6.665 6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.022 -6.718 9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 102 45.661 -7.843 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 102 45.417 -8.112 6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 102 44.760 -8.625 7.673 1.00 0.00 H new ATOM 191 N MET A 103 50.629 -1.562 6.071 1.00 0.00 N ATOM 192 CA MET A 103 50.075 -0.425 5.345 1.00 0.00 C ATOM 193 C MET A 103 50.655 -0.389 3.938 1.00 0.00 C ATOM 194 O MET A 103 50.055 0.151 3.009 1.00 0.00 O ATOM 195 CB MET A 103 50.428 0.878 6.063 1.00 0.00 C ATOM 196 CG MET A 103 49.350 1.927 5.792 1.00 0.00 C ATOM 197 SD MET A 103 47.874 1.544 6.766 1.00 0.00 S ATOM 198 CE MET A 103 47.394 3.253 7.118 1.00 0.00 C ATOM 0 H MET A 103 51.008 -1.335 6.990 1.00 0.00 H new ATOM 0 HA MET A 103 48.991 -0.530 5.298 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.515 0.701 7.135 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.397 1.242 5.720 1.00 0.00 H new ATOM 0 HG2 MET A 103 49.721 2.919 6.049 1.00 0.00 H new ATOM 0 HG3 MET A 103 49.103 1.944 4.730 1.00 0.00 H new ATOM 0 HE1 MET A 103 46.486 3.259 7.722 1.00 0.00 H new ATOM 0 HE2 MET A 103 48.196 3.751 7.663 1.00 0.00 H new ATOM 0 HE3 MET A 103 47.210 3.780 6.181 1.00 0.00 H new ATOM 208 N PHE A 104 51.838 -0.978 3.802 1.00 0.00 N ATOM 209 CA PHE A 104 52.520 -1.028 2.515 1.00 0.00 C ATOM 210 C PHE A 104 52.344 -2.406 1.885 1.00 0.00 C ATOM 211 O PHE A 104 52.128 -2.532 0.679 1.00 0.00 O ATOM 212 CB PHE A 104 54.011 -0.745 2.702 1.00 0.00 C ATOM 213 CG PHE A 104 54.591 -0.194 1.421 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.582 -0.969 0.255 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.142 1.092 1.402 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.123 -0.457 -0.930 1.00 0.00 C ATOM 217 CE2 PHE A 104 55.684 1.605 0.218 1.00 0.00 C ATOM 218 CZ PHE A 104 55.675 0.830 -0.949 1.00 0.00 C ATOM 0 H PHE A 104 52.343 -1.427 4.566 1.00 0.00 H new ATOM 0 HA PHE A 104 52.087 -0.272 1.860 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.156 -0.032 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.532 -1.660 2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.158 -1.962 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.149 1.689 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.115 -1.054 -1.830 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.109 2.598 0.204 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.094 1.225 -1.863 1.00 0.00 H new ATOM 228 N ASP A 105 52.431 -3.438 2.721 1.00 0.00 N ATOM 229 CA ASP A 105 52.271 -4.808 2.243 1.00 0.00 C ATOM 230 C ASP A 105 50.877 -4.998 1.656 1.00 0.00 C ATOM 231 O ASP A 105 49.931 -5.349 2.361 1.00 0.00 O ATOM 232 CB ASP A 105 52.471 -5.802 3.389 1.00 0.00 C ATOM 233 CG ASP A 105 53.692 -6.670 3.104 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.593 -6.189 2.436 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.708 -7.802 3.558 1.00 0.00 O ATOM 0 H ASP A 105 52.609 -3.353 3.722 1.00 0.00 H new ATOM 0 HA ASP A 105 53.021 -4.991 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 105 52.604 -5.267 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 105 51.585 -6.427 3.500 1.00 0.00 H new ATOM 240 N LYS A 106 50.761 -4.750 0.356 1.00 0.00 N ATOM 241 CA LYS A 106 49.477 -4.884 -0.325 1.00 0.00 C ATOM 242 C LYS A 106 49.211 -6.336 -0.715 1.00 0.00 C ATOM 243 O LYS A 106 48.202 -6.644 -1.349 1.00 0.00 O ATOM 244 CB LYS A 106 49.454 -4.017 -1.586 1.00 0.00 C ATOM 245 CG LYS A 106 49.199 -2.559 -1.195 1.00 0.00 C ATOM 246 CD LYS A 106 48.152 -1.947 -2.128 1.00 0.00 C ATOM 247 CE LYS A 106 46.912 -2.842 -2.168 1.00 0.00 C ATOM 248 NZ LYS A 106 45.721 -2.025 -2.533 1.00 0.00 N ATOM 0 H LYS A 106 51.533 -4.458 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 106 48.700 -4.555 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 106 50.402 -4.102 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 106 48.676 -4.364 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 106 48.855 -2.505 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 106 50.127 -1.990 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 106 47.881 -0.949 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 106 48.565 -1.836 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 106 47.052 -3.644 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 106 46.759 -3.313 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 44.878 -2.633 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 45.584 -1.275 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 45.868 -1.595 -3.469 1.00 0.00 H new ATOM 262 N ASN A 107 50.123 -7.226 -0.332 1.00 0.00 N ATOM 263 CA ASN A 107 49.965 -8.643 -0.655 1.00 0.00 C ATOM 264 C ASN A 107 49.901 -9.486 0.618 1.00 0.00 C ATOM 265 O ASN A 107 49.444 -10.629 0.600 1.00 0.00 O ATOM 266 CB ASN A 107 51.128 -9.128 -1.530 1.00 0.00 C ATOM 267 CG ASN A 107 52.360 -9.386 -0.666 1.00 0.00 C ATOM 268 OD1 ASN A 107 52.365 -10.297 0.162 1.00 0.00 O ATOM 269 ND2 ASN A 107 53.415 -8.633 -0.812 1.00 0.00 N ATOM 0 H ASN A 107 50.967 -6.998 0.194 1.00 0.00 H new ATOM 0 HA ASN A 107 49.030 -8.758 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 107 50.844 -10.041 -2.054 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.357 -8.382 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 107 54.243 -8.799 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.412 -7.878 -1.498 1.00 0.00 H new ATOM 276 N ALA A 108 50.366 -8.908 1.723 1.00 0.00 N ATOM 277 CA ALA A 108 50.362 -9.615 3.000 1.00 0.00 C ATOM 278 C ALA A 108 51.310 -10.807 2.952 1.00 0.00 C ATOM 279 O ALA A 108 50.933 -11.906 2.544 1.00 0.00 O ATOM 280 CB ALA A 108 48.958 -10.114 3.336 1.00 0.00 C ATOM 0 H ALA A 108 50.746 -7.962 1.760 1.00 0.00 H new ATOM 0 HA ALA A 108 50.691 -8.916 3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.977 -10.638 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.276 -9.266 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.617 -10.795 2.556 1.00 0.00 H new ATOM 286 N ASP A 109 52.547 -10.574 3.373 1.00 0.00 N ATOM 287 CA ASP A 109 53.554 -11.630 3.377 1.00 0.00 C ATOM 288 C ASP A 109 54.611 -11.355 4.443 1.00 0.00 C ATOM 289 O ASP A 109 55.099 -12.271 5.105 1.00 0.00 O ATOM 290 CB ASP A 109 54.236 -11.725 2.011 1.00 0.00 C ATOM 291 CG ASP A 109 54.867 -10.381 1.661 1.00 0.00 C ATOM 292 OD1 ASP A 109 54.125 -9.428 1.485 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.083 -10.324 1.574 1.00 0.00 O ATOM 0 H ASP A 109 52.876 -9.671 3.714 1.00 0.00 H new ATOM 0 HA ASP A 109 53.052 -12.572 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 109 54.999 -12.503 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.509 -12.007 1.249 1.00 0.00 H new ATOM 298 N GLY A 110 54.959 -10.081 4.600 1.00 0.00 N ATOM 299 CA GLY A 110 55.961 -9.689 5.588 1.00 0.00 C ATOM 300 C GLY A 110 57.192 -9.100 4.907 1.00 0.00 C ATOM 301 O GLY A 110 58.229 -8.895 5.538 1.00 0.00 O ATOM 0 H GLY A 110 54.567 -9.308 4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.535 -8.957 6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.249 -10.555 6.184 1.00 0.00 H new ATOM 305 N TYR A 111 57.067 -8.830 3.610 1.00 0.00 N ATOM 306 CA TYR A 111 58.178 -8.263 2.850 1.00 0.00 C ATOM 307 C TYR A 111 57.658 -7.510 1.631 1.00 0.00 C ATOM 308 O TYR A 111 57.106 -8.105 0.706 1.00 0.00 O ATOM 309 CB TYR A 111 59.126 -9.368 2.380 1.00 0.00 C ATOM 310 CG TYR A 111 59.673 -10.112 3.575 1.00 0.00 C ATOM 311 CD1 TYR A 111 58.982 -11.216 4.089 1.00 0.00 C ATOM 312 CD2 TYR A 111 60.872 -9.699 4.168 1.00 0.00 C ATOM 313 CE1 TYR A 111 59.490 -11.907 5.196 1.00 0.00 C ATOM 314 CE2 TYR A 111 61.381 -10.390 5.274 1.00 0.00 C ATOM 315 CZ TYR A 111 60.690 -11.494 5.788 1.00 0.00 C ATOM 316 OH TYR A 111 61.192 -12.176 6.878 1.00 0.00 O ATOM 0 H TYR A 111 56.218 -8.992 3.068 1.00 0.00 H new ATOM 0 HA TYR A 111 58.715 -7.576 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.598 -10.057 1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.944 -8.937 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.057 -11.535 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.405 -8.847 3.772 1.00 0.00 H new ATOM 0 HE1 TYR A 111 58.957 -12.758 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 111 62.306 -10.072 5.731 1.00 0.00 H new ATOM 0 HH TYR A 111 62.032 -11.760 7.166 1.00 0.00 H new ATOM 326 N ILE A 112 57.842 -6.194 1.637 1.00 0.00 N ATOM 327 CA ILE A 112 57.390 -5.371 0.521 1.00 0.00 C ATOM 328 C ILE A 112 58.270 -5.617 -0.700 1.00 0.00 C ATOM 329 O ILE A 112 59.484 -5.783 -0.586 1.00 0.00 O ATOM 330 CB ILE A 112 57.439 -3.886 0.891 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.311 -3.574 1.876 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.261 -3.033 -0.367 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.907 -3.084 3.196 1.00 0.00 C ATOM 0 H ILE A 112 58.295 -5.679 2.392 1.00 0.00 H new ATOM 0 HA ILE A 112 56.361 -5.645 0.290 1.00 0.00 H new ATOM 0 HB ILE A 112 58.402 -3.659 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 112 55.650 -2.814 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 112 55.706 -4.465 2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.297 -1.977 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.061 -3.255 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.299 -3.258 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.103 -2.862 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 112 57.550 -3.858 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 112 57.493 -2.182 3.018 1.00 0.00 H new ATOM 345 N ASP A 113 57.642 -5.642 -1.870 1.00 0.00 N ATOM 346 CA ASP A 113 58.375 -5.873 -3.111 1.00 0.00 C ATOM 347 C ASP A 113 58.241 -4.674 -4.042 1.00 0.00 C ATOM 348 O ASP A 113 57.377 -3.817 -3.856 1.00 0.00 O ATOM 349 CB ASP A 113 57.845 -7.119 -3.825 1.00 0.00 C ATOM 350 CG ASP A 113 56.352 -7.263 -3.555 1.00 0.00 C ATOM 351 OD1 ASP A 113 55.989 -7.376 -2.396 1.00 0.00 O ATOM 352 OD2 ASP A 113 55.594 -7.257 -4.510 1.00 0.00 O ATOM 0 H ASP A 113 56.638 -5.507 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 113 59.425 -6.020 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.026 -7.041 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.376 -8.005 -3.476 1.00 0.00 H new ATOM 357 N LEU A 114 59.109 -4.623 -5.048 1.00 0.00 N ATOM 358 CA LEU A 114 59.083 -3.525 -6.009 1.00 0.00 C ATOM 359 C LEU A 114 57.671 -3.329 -6.548 1.00 0.00 C ATOM 360 O LEU A 114 57.222 -2.203 -6.761 1.00 0.00 O ATOM 361 CB LEU A 114 60.030 -3.810 -7.176 1.00 0.00 C ATOM 362 CG LEU A 114 59.857 -2.736 -8.252 1.00 0.00 C ATOM 363 CD1 LEU A 114 59.859 -1.351 -7.601 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.011 -2.829 -9.253 1.00 0.00 C ATOM 0 H LEU A 114 59.832 -5.322 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 114 59.407 -2.619 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.062 -3.824 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 114 59.822 -4.795 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 114 58.910 -2.891 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 114 59.736 -0.588 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 114 59.038 -1.283 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 114 60.805 -1.194 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 60.889 -2.065 -10.020 1.00 0.00 H new ATOM 0 HD22 LEU A 114 61.957 -2.674 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 114 61.010 -3.814 -9.719 1.00 0.00 H new ATOM 376 N GLU A 115 56.975 -4.441 -6.763 1.00 0.00 N ATOM 377 CA GLU A 115 55.610 -4.385 -7.275 1.00 0.00 C ATOM 378 C GLU A 115 54.763 -3.451 -6.417 1.00 0.00 C ATOM 379 O GLU A 115 53.956 -2.676 -6.928 1.00 0.00 O ATOM 380 CB GLU A 115 54.979 -5.779 -7.271 1.00 0.00 C ATOM 381 CG GLU A 115 55.738 -6.686 -8.242 1.00 0.00 C ATOM 382 CD GLU A 115 54.900 -6.901 -9.498 1.00 0.00 C ATOM 383 OE1 GLU A 115 53.830 -7.476 -9.380 1.00 0.00 O ATOM 384 OE2 GLU A 115 55.340 -6.489 -10.558 1.00 0.00 O ATOM 0 H GLU A 115 57.329 -5.382 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 115 55.646 -4.009 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 115 55.008 -6.200 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 115 53.930 -5.716 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 115 56.696 -6.236 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 115 55.955 -7.643 -7.768 1.00 0.00 H new ATOM 391 N GLU A 116 54.961 -3.533 -5.103 1.00 0.00 N ATOM 392 CA GLU A 116 54.213 -2.688 -4.176 1.00 0.00 C ATOM 393 C GLU A 116 54.789 -1.275 -4.164 1.00 0.00 C ATOM 394 O GLU A 116 54.102 -0.312 -3.825 1.00 0.00 O ATOM 395 CB GLU A 116 54.269 -3.262 -2.759 1.00 0.00 C ATOM 396 CG GLU A 116 53.615 -4.644 -2.744 1.00 0.00 C ATOM 397 CD GLU A 116 53.578 -5.175 -1.315 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.362 -4.702 -0.509 1.00 0.00 O ATOM 399 OE2 GLU A 116 52.767 -6.046 -1.048 1.00 0.00 O ATOM 0 H GLU A 116 55.625 -4.168 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 116 53.176 -2.657 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.304 -3.334 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.755 -2.597 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.604 -4.584 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 116 54.173 -5.329 -3.383 1.00 0.00 H new ATOM 406 N LEU A 117 56.060 -1.164 -4.543 1.00 0.00 N ATOM 407 CA LEU A 117 56.724 0.136 -4.576 1.00 0.00 C ATOM 408 C LEU A 117 56.109 1.017 -5.659 1.00 0.00 C ATOM 409 O LEU A 117 55.758 2.171 -5.415 1.00 0.00 O ATOM 410 CB LEU A 117 58.219 -0.032 -4.855 1.00 0.00 C ATOM 411 CG LEU A 117 59.022 0.548 -3.690 1.00 0.00 C ATOM 412 CD1 LEU A 117 59.952 -0.525 -3.122 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.855 1.732 -4.187 1.00 0.00 C ATOM 0 H LEU A 117 56.645 -1.949 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 117 56.591 0.609 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.459 -1.087 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 117 58.486 0.474 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 117 58.338 0.883 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 117 60.523 -0.109 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 117 59.360 -1.369 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 117 60.636 -0.862 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 117 60.428 2.147 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.537 1.395 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.193 2.499 -4.590 1.00 0.00 H new ATOM 425 N LYS A 118 55.979 0.455 -6.857 1.00 0.00 N ATOM 426 CA LYS A 118 55.399 1.193 -7.975 1.00 0.00 C ATOM 427 C LYS A 118 53.941 1.529 -7.683 1.00 0.00 C ATOM 428 O LYS A 118 53.497 2.661 -7.872 1.00 0.00 O ATOM 429 CB LYS A 118 55.465 0.363 -9.259 1.00 0.00 C ATOM 430 CG LYS A 118 56.901 0.346 -9.787 1.00 0.00 C ATOM 431 CD LYS A 118 56.923 -0.297 -11.175 1.00 0.00 C ATOM 432 CE LYS A 118 58.370 -0.559 -11.595 1.00 0.00 C ATOM 433 NZ LYS A 118 58.410 -0.922 -13.040 1.00 0.00 N ATOM 0 H LYS A 118 56.264 -0.499 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 118 55.972 2.111 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.127 -0.655 -9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.796 0.783 -10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 118 57.294 1.362 -9.838 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.544 -0.211 -9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 118 56.362 -1.232 -11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.436 0.358 -11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.978 0.327 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.794 -1.364 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 59.394 -1.100 -13.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.843 -1.779 -13.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 58.021 -0.140 -13.605 1.00 0.00 H new ATOM 447 N ILE A 119 53.202 0.525 -7.220 1.00 0.00 N ATOM 448 CA ILE A 119 51.789 0.709 -6.902 1.00 0.00 C ATOM 449 C ILE A 119 51.606 1.857 -5.913 1.00 0.00 C ATOM 450 O ILE A 119 50.631 2.604 -5.981 1.00 0.00 O ATOM 451 CB ILE A 119 51.209 -0.569 -6.291 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.289 -1.705 -7.314 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.748 -0.337 -5.904 1.00 0.00 C ATOM 454 CD1 ILE A 119 51.026 -3.040 -6.614 1.00 0.00 C ATOM 0 H ILE A 119 53.555 -0.418 -7.057 1.00 0.00 H new ATOM 0 HA ILE A 119 51.265 0.942 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 119 51.781 -0.836 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.558 -1.547 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.272 -1.716 -7.785 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.338 -1.248 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.689 0.471 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.175 -0.068 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.083 -3.850 -7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.774 -3.197 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 119 50.033 -3.025 -6.164 1.00 0.00 H new ATOM 466 N MET A 120 52.553 1.985 -4.988 1.00 0.00 N ATOM 467 CA MET A 120 52.483 3.042 -3.982 1.00 0.00 C ATOM 468 C MET A 120 52.781 4.405 -4.604 1.00 0.00 C ATOM 469 O MET A 120 52.373 5.442 -4.081 1.00 0.00 O ATOM 470 CB MET A 120 53.486 2.777 -2.856 1.00 0.00 C ATOM 471 CG MET A 120 52.921 3.305 -1.535 1.00 0.00 C ATOM 472 SD MET A 120 52.436 1.912 -0.485 1.00 0.00 S ATOM 473 CE MET A 120 51.963 2.877 0.971 1.00 0.00 C ATOM 0 H MET A 120 53.369 1.378 -4.913 1.00 0.00 H new ATOM 0 HA MET A 120 51.471 3.047 -3.576 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.686 1.708 -2.777 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.436 3.264 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.667 3.915 -1.026 1.00 0.00 H new ATOM 0 HG3 MET A 120 52.061 3.947 -1.726 1.00 0.00 H new ATOM 0 HE1 MET A 120 51.625 2.204 1.759 1.00 0.00 H new ATOM 0 HE2 MET A 120 52.822 3.447 1.325 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.157 3.562 0.708 1.00 0.00 H new ATOM 483 N LEU A 121 53.497 4.393 -5.725 1.00 0.00 N ATOM 484 CA LEU A 121 53.846 5.638 -6.408 1.00 0.00 C ATOM 485 C LEU A 121 52.746 6.040 -7.387 1.00 0.00 C ATOM 486 O LEU A 121 52.232 7.157 -7.343 1.00 0.00 O ATOM 487 CB LEU A 121 55.159 5.478 -7.177 1.00 0.00 C ATOM 488 CG LEU A 121 56.305 5.237 -6.193 1.00 0.00 C ATOM 489 CD1 LEU A 121 57.641 5.320 -6.935 1.00 0.00 C ATOM 490 CD2 LEU A 121 56.266 6.302 -5.095 1.00 0.00 C ATOM 0 H LEU A 121 53.844 3.547 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 121 53.959 6.413 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 121 55.084 4.644 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 121 55.357 6.372 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 121 56.198 4.249 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 121 58.458 5.148 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 121 57.670 4.563 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.748 6.308 -7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 121 57.082 6.131 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.373 7.290 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 121 55.315 6.244 -4.566 1.00 0.00 H new ATOM 502 N GLN A 122 52.398 5.115 -8.277 1.00 0.00 N ATOM 503 CA GLN A 122 51.364 5.375 -9.277 1.00 0.00 C ATOM 504 C GLN A 122 50.023 5.702 -8.620 1.00 0.00 C ATOM 505 O GLN A 122 49.090 6.152 -9.284 1.00 0.00 O ATOM 506 CB GLN A 122 51.185 4.159 -10.188 1.00 0.00 C ATOM 507 CG GLN A 122 50.564 3.010 -9.393 1.00 0.00 C ATOM 508 CD GLN A 122 50.141 1.899 -10.348 1.00 0.00 C ATOM 509 OE1 GLN A 122 50.713 1.808 -11.518 1.00 0.00 O flip ATOM 510 NE2 GLN A 122 49.267 1.094 -10.026 1.00 0.00 N flip ATOM 0 H GLN A 122 52.813 4.185 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 122 51.689 6.234 -9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 122 50.547 4.416 -11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 122 52.148 3.853 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 122 51.281 2.627 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 122 49.702 3.368 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 122 48.820 1.165 -9.112 1.00 0.00 H new ATOM 0 HE22 GLN A 122 48.990 0.356 -10.673 1.00 0.00 H new ATOM 519 N ALA A 123 49.929 5.468 -7.313 1.00 0.00 N ATOM 520 CA ALA A 123 48.687 5.740 -6.594 1.00 0.00 C ATOM 521 C ALA A 123 48.817 6.990 -5.725 1.00 0.00 C ATOM 522 O ALA A 123 47.818 7.569 -5.298 1.00 0.00 O ATOM 523 CB ALA A 123 48.313 4.554 -5.704 1.00 0.00 C ATOM 0 H ALA A 123 50.685 5.097 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 123 47.907 5.902 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 123 47.385 4.774 -5.176 1.00 0.00 H new ATOM 0 HB2 ALA A 123 48.178 3.665 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 123 49.109 4.377 -4.981 1.00 0.00 H new ATOM 529 N THR A 124 50.056 7.398 -5.462 1.00 0.00 N ATOM 530 CA THR A 124 50.294 8.580 -4.636 1.00 0.00 C ATOM 531 C THR A 124 50.395 9.831 -5.505 1.00 0.00 C ATOM 532 O THR A 124 50.985 10.835 -5.106 1.00 0.00 O ATOM 533 CB THR A 124 51.587 8.421 -3.830 1.00 0.00 C ATOM 534 OG1 THR A 124 51.623 9.398 -2.798 1.00 0.00 O ATOM 535 CG2 THR A 124 52.796 8.605 -4.749 1.00 0.00 C ATOM 0 H THR A 124 50.899 6.936 -5.803 1.00 0.00 H new ATOM 0 HA THR A 124 49.453 8.685 -3.951 1.00 0.00 H new ATOM 0 HB THR A 124 51.618 7.424 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 124 51.468 10.286 -3.183 1.00 0.00 H new ATOM 0 HG21 THR A 124 53.713 8.491 -4.171 1.00 0.00 H new ATOM 0 HG22 THR A 124 52.770 7.855 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 124 52.768 9.600 -5.192 1.00 0.00 H new ATOM 543 N GLY A 125 49.809 9.759 -6.697 1.00 0.00 N ATOM 544 CA GLY A 125 49.836 10.893 -7.619 1.00 0.00 C ATOM 545 C GLY A 125 50.364 10.471 -8.987 1.00 0.00 C ATOM 546 O GLY A 125 50.278 11.219 -9.960 1.00 0.00 O ATOM 0 H GLY A 125 49.315 8.938 -7.045 1.00 0.00 H new ATOM 0 HA2 GLY A 125 48.833 11.306 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 125 50.465 11.684 -7.210 1.00 0.00 H new ATOM 550 N GLU A 126 50.914 9.261 -9.049 1.00 0.00 N ATOM 551 CA GLU A 126 51.456 8.742 -10.302 1.00 0.00 C ATOM 552 C GLU A 126 52.196 9.836 -11.062 1.00 0.00 C ATOM 553 O GLU A 126 52.061 9.972 -12.278 1.00 0.00 O ATOM 554 CB GLU A 126 50.342 8.177 -11.189 1.00 0.00 C ATOM 555 CG GLU A 126 49.007 8.838 -10.834 1.00 0.00 C ATOM 556 CD GLU A 126 47.890 8.203 -11.654 1.00 0.00 C ATOM 557 OE1 GLU A 126 47.452 7.124 -11.287 1.00 0.00 O ATOM 558 OE2 GLU A 126 47.488 8.803 -12.637 1.00 0.00 O ATOM 0 H GLU A 126 50.996 8.627 -8.255 1.00 0.00 H new ATOM 0 HA GLU A 126 52.152 7.941 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 126 50.577 8.353 -12.239 1.00 0.00 H new ATOM 0 HB3 GLU A 126 50.270 7.098 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 126 48.803 8.721 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 126 49.055 9.909 -11.033 1.00 0.00 H new ATOM 565 N THR A 127 52.993 10.604 -10.328 1.00 0.00 N ATOM 566 CA THR A 127 53.772 11.679 -10.934 1.00 0.00 C ATOM 567 C THR A 127 55.242 11.516 -10.566 1.00 0.00 C ATOM 568 O THR A 127 55.938 12.488 -10.271 1.00 0.00 O ATOM 569 CB THR A 127 53.280 13.045 -10.451 1.00 0.00 C ATOM 570 OG1 THR A 127 54.007 14.071 -11.114 1.00 0.00 O ATOM 571 CG2 THR A 127 53.492 13.162 -8.941 1.00 0.00 C ATOM 0 H THR A 127 53.117 10.504 -9.320 1.00 0.00 H new ATOM 0 HA THR A 127 53.651 11.624 -12.016 1.00 0.00 H new ATOM 0 HB THR A 127 52.218 13.148 -10.675 1.00 0.00 H new ATOM 0 HG1 THR A 127 54.959 13.991 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 127 53.141 14.136 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 127 52.933 12.376 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 127 54.553 13.058 -8.713 1.00 0.00 H new ATOM 579 N ILE A 128 55.699 10.267 -10.581 1.00 0.00 N ATOM 580 CA ILE A 128 57.085 9.963 -10.240 1.00 0.00 C ATOM 581 C ILE A 128 57.793 9.309 -11.423 1.00 0.00 C ATOM 582 O ILE A 128 57.239 8.437 -12.092 1.00 0.00 O ATOM 583 CB ILE A 128 57.139 9.015 -9.041 1.00 0.00 C ATOM 584 CG1 ILE A 128 56.602 9.733 -7.801 1.00 0.00 C ATOM 585 CG2 ILE A 128 58.586 8.587 -8.794 1.00 0.00 C ATOM 586 CD1 ILE A 128 57.577 10.835 -7.384 1.00 0.00 C ATOM 0 H ILE A 128 55.134 9.454 -10.824 1.00 0.00 H new ATOM 0 HA ILE A 128 57.586 10.898 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 128 56.530 8.135 -9.245 1.00 0.00 H new ATOM 0 HG12 ILE A 128 55.622 10.161 -8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.470 9.022 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 128 58.625 7.911 -7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.970 8.077 -9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 128 59.196 9.467 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 128 57.193 11.345 -6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 128 58.548 10.395 -7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.686 11.551 -8.198 1.00 0.00 H new ATOM 598 N THR A 129 59.026 9.744 -11.672 1.00 0.00 N ATOM 599 CA THR A 129 59.806 9.196 -12.779 1.00 0.00 C ATOM 600 C THR A 129 60.239 7.766 -12.473 1.00 0.00 C ATOM 601 O THR A 129 59.992 7.245 -11.385 1.00 0.00 O ATOM 602 CB THR A 129 61.049 10.052 -13.035 1.00 0.00 C ATOM 603 OG1 THR A 129 61.008 11.206 -12.207 1.00 0.00 O ATOM 604 CG2 THR A 129 61.083 10.476 -14.504 1.00 0.00 C ATOM 0 H THR A 129 59.502 10.465 -11.130 1.00 0.00 H new ATOM 0 HA THR A 129 59.175 9.200 -13.668 1.00 0.00 H new ATOM 0 HB THR A 129 61.943 9.473 -12.805 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.804 11.754 -12.369 1.00 0.00 H new ATOM 0 HG21 THR A 129 61.968 11.086 -14.686 1.00 0.00 H new ATOM 0 HG22 THR A 129 61.116 9.590 -15.138 1.00 0.00 H new ATOM 0 HG23 THR A 129 60.189 11.055 -14.736 1.00 0.00 H new ATOM 612 N GLU A 130 60.887 7.137 -13.450 1.00 0.00 N ATOM 613 CA GLU A 130 61.353 5.762 -13.287 1.00 0.00 C ATOM 614 C GLU A 130 62.443 5.685 -12.222 1.00 0.00 C ATOM 615 O GLU A 130 62.317 4.959 -11.236 1.00 0.00 O ATOM 616 CB GLU A 130 61.909 5.227 -14.608 1.00 0.00 C ATOM 617 CG GLU A 130 62.486 3.827 -14.393 1.00 0.00 C ATOM 618 CD GLU A 130 64.009 3.889 -14.456 1.00 0.00 C ATOM 619 OE1 GLU A 130 64.519 4.758 -15.143 1.00 0.00 O ATOM 620 OE2 GLU A 130 64.642 3.066 -13.816 1.00 0.00 O ATOM 0 H GLU A 130 61.100 7.553 -14.356 1.00 0.00 H new ATOM 0 HA GLU A 130 60.502 5.155 -12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.120 5.195 -15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.682 5.896 -14.986 1.00 0.00 H new ATOM 0 HG2 GLU A 130 62.167 3.435 -13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 130 62.107 3.145 -15.154 1.00 0.00 H new ATOM 627 N ASP A 131 63.517 6.440 -12.435 1.00 0.00 N ATOM 628 CA ASP A 131 64.630 6.449 -11.488 1.00 0.00 C ATOM 629 C ASP A 131 64.114 6.477 -10.053 1.00 0.00 C ATOM 630 O ASP A 131 64.565 5.712 -9.200 1.00 0.00 O ATOM 631 CB ASP A 131 65.521 7.671 -11.721 1.00 0.00 C ATOM 632 CG ASP A 131 66.548 7.354 -12.803 1.00 0.00 C ATOM 633 OD1 ASP A 131 66.429 6.306 -13.417 1.00 0.00 O ATOM 634 OD2 ASP A 131 67.439 8.163 -13.001 1.00 0.00 O ATOM 0 H ASP A 131 63.641 7.047 -13.245 1.00 0.00 H new ATOM 0 HA ASP A 131 65.210 5.540 -11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 131 64.914 8.525 -12.020 1.00 0.00 H new ATOM 0 HB3 ASP A 131 66.026 7.948 -10.796 1.00 0.00 H new ATOM 639 N ASP A 132 63.166 7.373 -9.796 1.00 0.00 N ATOM 640 CA ASP A 132 62.595 7.501 -8.458 1.00 0.00 C ATOM 641 C ASP A 132 62.141 6.142 -7.931 1.00 0.00 C ATOM 642 O ASP A 132 62.013 5.941 -6.723 1.00 0.00 O ATOM 643 CB ASP A 132 61.398 8.454 -8.476 1.00 0.00 C ATOM 644 CG ASP A 132 61.851 9.844 -8.045 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.873 10.095 -6.852 1.00 0.00 O ATOM 646 OD2 ASP A 132 62.170 10.637 -8.916 1.00 0.00 O ATOM 0 H ASP A 132 62.780 8.015 -10.488 1.00 0.00 H new ATOM 0 HA ASP A 132 63.369 7.900 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.966 8.494 -9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 132 60.619 8.090 -7.807 1.00 0.00 H new ATOM 651 N ILE A 133 61.897 5.212 -8.850 1.00 0.00 N ATOM 652 CA ILE A 133 61.456 3.875 -8.462 1.00 0.00 C ATOM 653 C ILE A 133 62.656 2.990 -8.133 1.00 0.00 C ATOM 654 O ILE A 133 62.915 2.681 -6.970 1.00 0.00 O ATOM 655 CB ILE A 133 60.650 3.226 -9.588 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.555 4.190 -10.050 1.00 0.00 C ATOM 657 CG2 ILE A 133 60.009 1.935 -9.078 1.00 0.00 C ATOM 658 CD1 ILE A 133 59.175 3.876 -11.498 1.00 0.00 C ATOM 0 H ILE A 133 61.995 5.356 -9.855 1.00 0.00 H new ATOM 0 HA ILE A 133 60.826 3.974 -7.578 1.00 0.00 H new ATOM 0 HB ILE A 133 61.311 2.998 -10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.681 4.099 -9.406 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.905 5.219 -9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.434 1.472 -9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 133 60.788 1.248 -8.747 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.347 2.163 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 133 58.395 4.563 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 133 60.051 3.989 -12.137 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.808 2.852 -11.564 1.00 0.00 H new ATOM 670 N GLU A 134 63.386 2.587 -9.170 1.00 0.00 N ATOM 671 CA GLU A 134 64.558 1.737 -8.976 1.00 0.00 C ATOM 672 C GLU A 134 65.467 2.324 -7.901 1.00 0.00 C ATOM 673 O GLU A 134 65.983 1.606 -7.044 1.00 0.00 O ATOM 674 CB GLU A 134 65.349 1.604 -10.279 1.00 0.00 C ATOM 675 CG GLU A 134 65.630 0.126 -10.557 1.00 0.00 C ATOM 676 CD GLU A 134 66.356 -0.013 -11.891 1.00 0.00 C ATOM 677 OE1 GLU A 134 65.692 0.040 -12.913 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.566 -0.172 -11.870 1.00 0.00 O ATOM 0 H GLU A 134 63.191 2.831 -10.141 1.00 0.00 H new ATOM 0 HA GLU A 134 64.210 0.752 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 134 64.786 2.040 -11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.286 2.156 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.236 -0.297 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 134 64.695 -0.435 -10.580 1.00 0.00 H new ATOM 685 N GLU A 135 65.655 3.640 -7.955 1.00 0.00 N ATOM 686 CA GLU A 135 66.501 4.319 -6.979 1.00 0.00 C ATOM 687 C GLU A 135 65.942 4.123 -5.575 1.00 0.00 C ATOM 688 O GLU A 135 66.666 3.773 -4.643 1.00 0.00 O ATOM 689 CB GLU A 135 66.574 5.817 -7.282 1.00 0.00 C ATOM 690 CG GLU A 135 67.683 6.456 -6.442 1.00 0.00 C ATOM 691 CD GLU A 135 67.179 7.766 -5.847 1.00 0.00 C ATOM 692 OE1 GLU A 135 66.693 8.590 -6.604 1.00 0.00 O ATOM 693 OE2 GLU A 135 67.287 7.927 -4.643 1.00 0.00 O ATOM 0 H GLU A 135 65.238 4.252 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 135 67.501 3.890 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.770 5.975 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.617 6.290 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 135 67.989 5.777 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.562 6.639 -7.060 1.00 0.00 H new ATOM 700 N LEU A 136 64.639 4.349 -5.440 1.00 0.00 N ATOM 701 CA LEU A 136 63.976 4.192 -4.150 1.00 0.00 C ATOM 702 C LEU A 136 64.325 2.839 -3.539 1.00 0.00 C ATOM 703 O LEU A 136 64.977 2.760 -2.497 1.00 0.00 O ATOM 704 CB LEU A 136 62.458 4.288 -4.317 1.00 0.00 C ATOM 705 CG LEU A 136 61.977 5.665 -3.860 1.00 0.00 C ATOM 706 CD1 LEU A 136 60.575 5.928 -4.412 1.00 0.00 C ATOM 707 CD2 LEU A 136 61.938 5.709 -2.330 1.00 0.00 C ATOM 0 H LEU A 136 64.025 4.639 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 136 64.319 4.989 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.186 4.124 -5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 136 61.968 3.509 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 136 62.661 6.429 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.234 6.910 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 136 60.601 5.897 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 136 59.890 5.165 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.595 6.691 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.254 4.944 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.937 5.523 -1.935 1.00 0.00 H new ATOM 719 N MET A 137 63.884 1.776 -4.205 1.00 0.00 N ATOM 720 CA MET A 137 64.149 0.421 -3.730 1.00 0.00 C ATOM 721 C MET A 137 65.582 0.302 -3.215 1.00 0.00 C ATOM 722 O MET A 137 65.813 0.042 -2.034 1.00 0.00 O ATOM 723 CB MET A 137 63.941 -0.587 -4.861 1.00 0.00 C ATOM 724 CG MET A 137 63.395 -1.895 -4.288 1.00 0.00 C ATOM 725 SD MET A 137 64.008 -3.285 -5.272 1.00 0.00 S ATOM 726 CE MET A 137 62.995 -4.571 -4.503 1.00 0.00 C ATOM 0 H MET A 137 63.345 1.825 -5.070 1.00 0.00 H new ATOM 0 HA MET A 137 63.455 0.208 -2.917 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.247 -0.183 -5.598 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.884 -0.770 -5.377 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.704 -2.007 -3.249 1.00 0.00 H new ATOM 0 HG3 MET A 137 62.305 -1.882 -4.297 1.00 0.00 H new ATOM 0 HE1 MET A 137 63.202 -5.530 -4.978 1.00 0.00 H new ATOM 0 HE2 MET A 137 63.232 -4.634 -3.441 1.00 0.00 H new ATOM 0 HE3 MET A 137 61.940 -4.325 -4.626 1.00 0.00 H new ATOM 736 N LYS A 138 66.540 0.490 -4.118 1.00 0.00 N ATOM 737 CA LYS A 138 67.951 0.396 -3.750 1.00 0.00 C ATOM 738 C LYS A 138 68.271 1.339 -2.593 1.00 0.00 C ATOM 739 O LYS A 138 69.274 1.171 -1.899 1.00 0.00 O ATOM 740 CB LYS A 138 68.839 0.753 -4.944 1.00 0.00 C ATOM 741 CG LYS A 138 70.059 -0.171 -4.964 1.00 0.00 C ATOM 742 CD LYS A 138 71.121 0.404 -5.904 1.00 0.00 C ATOM 743 CE LYS A 138 72.322 -0.541 -5.958 1.00 0.00 C ATOM 744 NZ LYS A 138 72.433 -1.123 -7.325 1.00 0.00 N ATOM 0 H LYS A 138 66.369 0.706 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 138 68.148 -0.631 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.277 0.652 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 138 69.158 1.793 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 138 70.466 -0.275 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.768 -1.168 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 138 70.704 0.537 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.435 1.388 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 138 73.235 -0.002 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 138 72.207 -1.336 -5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 73.249 -1.766 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 71.566 -1.651 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 72.562 -0.359 -8.018 1.00 0.00 H new ATOM 758 N ASP A 139 67.410 2.332 -2.393 1.00 0.00 N ATOM 759 CA ASP A 139 67.615 3.298 -1.315 1.00 0.00 C ATOM 760 C ASP A 139 67.142 2.720 0.016 1.00 0.00 C ATOM 761 O ASP A 139 67.625 3.103 1.081 1.00 0.00 O ATOM 762 CB ASP A 139 66.848 4.591 -1.597 1.00 0.00 C ATOM 763 CG ASP A 139 67.807 5.775 -1.536 1.00 0.00 C ATOM 764 OD1 ASP A 139 68.262 6.089 -0.448 1.00 0.00 O ATOM 765 OD2 ASP A 139 68.073 6.350 -2.579 1.00 0.00 O ATOM 0 H ASP A 139 66.573 2.490 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 139 68.682 3.516 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 139 66.378 4.541 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.049 4.719 -0.867 1.00 0.00 H new ATOM 770 N GLY A 140 66.190 1.795 -0.059 1.00 0.00 N ATOM 771 CA GLY A 140 65.655 1.169 1.147 1.00 0.00 C ATOM 772 C GLY A 140 65.892 -0.336 1.128 1.00 0.00 C ATOM 773 O GLY A 140 65.284 -1.085 1.892 1.00 0.00 O ATOM 0 H GLY A 140 65.777 1.465 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.127 1.605 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 140 64.587 1.372 1.224 1.00 0.00 H new ATOM 777 N ASP A 141 66.785 -0.772 0.243 1.00 0.00 N ATOM 778 CA ASP A 141 67.099 -2.193 0.128 1.00 0.00 C ATOM 779 C ASP A 141 68.563 -2.445 0.474 1.00 0.00 C ATOM 780 O ASP A 141 69.300 -3.063 -0.293 1.00 0.00 O ATOM 781 CB ASP A 141 66.833 -2.689 -1.295 1.00 0.00 C ATOM 782 CG ASP A 141 66.665 -4.204 -1.283 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.350 -4.737 -0.232 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.853 -4.810 -2.325 1.00 0.00 O ATOM 0 H ASP A 141 67.299 -0.169 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 141 66.461 -2.734 0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 141 65.936 -2.216 -1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 141 67.659 -2.409 -1.949 1.00 0.00 H new ATOM 789 N LYS A 142 68.975 -1.957 1.641 1.00 0.00 N ATOM 790 CA LYS A 142 70.355 -2.134 2.084 1.00 0.00 C ATOM 791 C LYS A 142 70.721 -3.613 2.109 1.00 0.00 C ATOM 792 O LYS A 142 71.858 -3.992 1.829 1.00 0.00 O ATOM 793 CB LYS A 142 70.546 -1.552 3.485 1.00 0.00 C ATOM 794 CG LYS A 142 71.794 -0.667 3.504 1.00 0.00 C ATOM 795 CD LYS A 142 72.951 -1.430 4.153 1.00 0.00 C ATOM 796 CE LYS A 142 74.220 -0.579 4.094 1.00 0.00 C ATOM 797 NZ LYS A 142 75.402 -1.427 4.415 1.00 0.00 N ATOM 0 H LYS A 142 68.381 -1.442 2.291 1.00 0.00 H new ATOM 0 HA LYS A 142 71.003 -1.610 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 142 69.670 -0.970 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 142 70.646 -2.356 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.061 -0.375 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 142 71.594 0.251 4.057 1.00 0.00 H new ATOM 0 HD2 LYS A 142 72.708 -1.668 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 142 73.111 -2.377 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 142 74.332 -0.142 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 142 74.149 0.248 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 76.265 -0.849 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 75.295 -1.824 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 75.472 -2.201 3.724 1.00 0.00 H new ATOM 811 N ASN A 143 69.742 -4.446 2.450 1.00 0.00 N ATOM 812 CA ASN A 143 69.969 -5.887 2.512 1.00 0.00 C ATOM 813 C ASN A 143 70.126 -6.468 1.109 1.00 0.00 C ATOM 814 O ASN A 143 70.458 -7.642 0.945 1.00 0.00 O ATOM 815 CB ASN A 143 68.800 -6.584 3.212 1.00 0.00 C ATOM 816 CG ASN A 143 69.094 -8.076 3.327 1.00 0.00 C ATOM 817 OD1 ASN A 143 70.230 -8.473 3.587 1.00 0.00 O ATOM 818 ND2 ASN A 143 68.128 -8.935 3.148 1.00 0.00 N ATOM 0 H ASN A 143 68.794 -4.153 2.685 1.00 0.00 H new ATOM 0 HA ASN A 143 70.885 -6.056 3.078 1.00 0.00 H new ATOM 0 HB2 ASN A 143 68.647 -6.155 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 143 67.879 -6.426 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 143 68.314 -9.935 3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 143 67.187 -8.606 2.933 1.00 0.00 H new ATOM 825 N ASN A 144 69.882 -5.636 0.099 1.00 0.00 N ATOM 826 CA ASN A 144 70.000 -6.087 -1.285 1.00 0.00 C ATOM 827 C ASN A 144 69.458 -7.505 -1.423 1.00 0.00 C ATOM 828 O ASN A 144 70.161 -8.414 -1.865 1.00 0.00 O ATOM 829 CB ASN A 144 71.462 -6.065 -1.734 1.00 0.00 C ATOM 830 CG ASN A 144 72.331 -6.720 -0.666 1.00 0.00 C ATOM 831 OD1 ASN A 144 72.988 -6.034 0.117 1.00 0.00 O ATOM 832 ND2 ASN A 144 72.375 -8.022 -0.586 1.00 0.00 N ATOM 0 H ASN A 144 69.605 -4.660 0.210 1.00 0.00 H new ATOM 0 HA ASN A 144 69.421 -5.410 -1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.571 -6.593 -2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 144 71.786 -5.038 -1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 144 72.953 -8.470 0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 144 71.831 -8.591 -1.234 1.00 0.00 H new ATOM 839 N ASP A 145 68.198 -7.682 -1.037 1.00 0.00 N ATOM 840 CA ASP A 145 67.564 -8.995 -1.118 1.00 0.00 C ATOM 841 C ASP A 145 66.403 -8.972 -2.109 1.00 0.00 C ATOM 842 O ASP A 145 65.794 -10.003 -2.394 1.00 0.00 O ATOM 843 CB ASP A 145 67.038 -9.418 0.255 1.00 0.00 C ATOM 844 CG ASP A 145 66.379 -10.789 0.146 1.00 0.00 C ATOM 845 OD1 ASP A 145 66.792 -11.557 -0.707 1.00 0.00 O ATOM 846 OD2 ASP A 145 65.471 -11.051 0.918 1.00 0.00 O ATOM 0 H ASP A 145 67.601 -6.942 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 145 68.314 -9.709 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 145 67.856 -9.452 0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 145 66.320 -8.685 0.623 1.00 0.00 H new ATOM 851 N GLY A 146 66.102 -7.785 -2.631 1.00 0.00 N ATOM 852 CA GLY A 146 65.011 -7.643 -3.591 1.00 0.00 C ATOM 853 C GLY A 146 63.691 -7.375 -2.875 1.00 0.00 C ATOM 854 O GLY A 146 62.614 -7.527 -3.451 1.00 0.00 O ATOM 0 H GLY A 146 66.591 -6.918 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 146 65.230 -6.826 -4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 146 64.927 -8.550 -4.190 1.00 0.00 H new ATOM 858 N ARG A 147 63.788 -6.974 -1.610 1.00 0.00 N ATOM 859 CA ARG A 147 62.594 -6.685 -0.819 1.00 0.00 C ATOM 860 C ARG A 147 62.965 -5.913 0.442 1.00 0.00 C ATOM 861 O ARG A 147 64.113 -5.508 0.626 1.00 0.00 O ATOM 862 CB ARG A 147 61.878 -7.980 -0.419 1.00 0.00 C ATOM 863 CG ARG A 147 62.886 -9.130 -0.347 1.00 0.00 C ATOM 864 CD ARG A 147 62.158 -10.427 0.009 1.00 0.00 C ATOM 865 NE ARG A 147 63.078 -11.381 0.622 1.00 0.00 N ATOM 866 CZ ARG A 147 62.633 -12.503 1.181 1.00 0.00 C ATOM 867 NH1 ARG A 147 61.355 -12.771 1.181 1.00 0.00 N ATOM 868 NH2 ARG A 147 63.474 -13.337 1.728 1.00 0.00 N ATOM 0 H ARG A 147 64.670 -6.843 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 147 61.926 -6.082 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.389 -7.852 0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.098 -8.213 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 147 63.398 -9.239 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.649 -8.912 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 147 61.337 -10.214 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 147 61.719 -10.862 -0.889 1.00 0.00 H new ATOM 0 HE ARG A 147 64.079 -11.184 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 147 60.697 -12.120 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 147 61.014 -13.632 1.610 1.00 0.00 H new ATOM 0 HH21 ARG A 147 64.472 -13.129 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 147 63.133 -14.197 2.157 1.00 0.00 H new ATOM 882 N ILE A 148 61.976 -5.711 1.310 1.00 0.00 N ATOM 883 CA ILE A 148 62.205 -4.983 2.555 1.00 0.00 C ATOM 884 C ILE A 148 61.944 -5.883 3.758 1.00 0.00 C ATOM 885 O ILE A 148 60.995 -6.667 3.771 1.00 0.00 O ATOM 886 CB ILE A 148 61.283 -3.765 2.642 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.014 -3.225 1.234 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.948 -2.680 3.490 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.307 -2.665 0.637 1.00 0.00 C ATOM 0 H ILE A 148 61.019 -6.037 1.176 1.00 0.00 H new ATOM 0 HA ILE A 148 63.245 -4.656 2.563 1.00 0.00 H new ATOM 0 HB ILE A 148 60.339 -4.056 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 148 60.624 -4.020 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.253 -2.445 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.291 -1.813 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.135 -3.065 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.893 -2.388 3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.110 -2.282 -0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.679 -1.857 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.055 -3.456 0.582 1.00 0.00 H new ATOM 901 N ASP A 149 62.795 -5.754 4.771 1.00 0.00 N ATOM 902 CA ASP A 149 62.650 -6.554 5.985 1.00 0.00 C ATOM 903 C ASP A 149 62.445 -5.643 7.191 1.00 0.00 C ATOM 904 O ASP A 149 62.722 -4.445 7.133 1.00 0.00 O ATOM 905 CB ASP A 149 63.894 -7.415 6.215 1.00 0.00 C ATOM 906 CG ASP A 149 63.988 -8.476 5.123 1.00 0.00 C ATOM 907 OD1 ASP A 149 63.583 -8.188 4.009 1.00 0.00 O ATOM 908 OD2 ASP A 149 64.463 -9.560 5.418 1.00 0.00 O ATOM 0 H ASP A 149 63.586 -5.110 4.778 1.00 0.00 H new ATOM 0 HA ASP A 149 61.783 -7.203 5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.788 -6.791 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 149 63.844 -7.890 7.195 1.00 0.00 H new ATOM 913 N TYR A 150 61.955 -6.220 8.284 1.00 0.00 N ATOM 914 CA TYR A 150 61.718 -5.440 9.496 1.00 0.00 C ATOM 915 C TYR A 150 62.849 -4.439 9.713 1.00 0.00 C ATOM 916 O TYR A 150 62.630 -3.228 9.725 1.00 0.00 O ATOM 917 CB TYR A 150 61.617 -6.355 10.718 1.00 0.00 C ATOM 918 CG TYR A 150 60.630 -5.768 11.700 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.265 -5.743 11.389 1.00 0.00 C ATOM 920 CD2 TYR A 150 61.080 -5.245 12.919 1.00 0.00 C ATOM 921 CE1 TYR A 150 58.350 -5.196 12.297 1.00 0.00 C ATOM 922 CE2 TYR A 150 60.165 -4.698 13.826 1.00 0.00 C ATOM 923 CZ TYR A 150 58.800 -4.673 13.516 1.00 0.00 C ATOM 924 OH TYR A 150 57.898 -4.133 14.410 1.00 0.00 O ATOM 0 H TYR A 150 61.717 -7.209 8.357 1.00 0.00 H new ATOM 0 HA TYR A 150 60.777 -4.905 9.371 1.00 0.00 H new ATOM 0 HB2 TYR A 150 61.297 -7.352 10.415 1.00 0.00 H new ATOM 0 HB3 TYR A 150 62.595 -6.463 11.188 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.918 -6.146 10.449 1.00 0.00 H new ATOM 0 HD2 TYR A 150 62.133 -5.264 13.159 1.00 0.00 H new ATOM 0 HE1 TYR A 150 57.297 -5.177 12.057 1.00 0.00 H new ATOM 0 HE2 TYR A 150 60.512 -4.295 14.766 1.00 0.00 H new ATOM 0 HH TYR A 150 58.375 -3.816 15.205 1.00 0.00 H new ATOM 934 N ASP A 151 64.062 -4.959 9.883 1.00 0.00 N ATOM 935 CA ASP A 151 65.224 -4.100 10.097 1.00 0.00 C ATOM 936 C ASP A 151 65.232 -2.956 9.088 1.00 0.00 C ATOM 937 O ASP A 151 65.148 -1.784 9.455 1.00 0.00 O ATOM 938 CB ASP A 151 66.519 -4.902 9.949 1.00 0.00 C ATOM 939 CG ASP A 151 67.711 -4.011 10.276 1.00 0.00 C ATOM 940 OD1 ASP A 151 67.944 -3.772 11.450 1.00 0.00 O ATOM 941 OD2 ASP A 151 68.376 -3.580 9.348 1.00 0.00 O ATOM 0 H ASP A 151 64.265 -5.959 9.877 1.00 0.00 H new ATOM 0 HA ASP A 151 65.161 -3.696 11.107 1.00 0.00 H new ATOM 0 HB2 ASP A 151 66.503 -5.764 10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.607 -5.286 8.933 1.00 0.00 H new ATOM 946 N GLU A 152 65.333 -3.312 7.810 1.00 0.00 N ATOM 947 CA GLU A 152 65.348 -2.310 6.750 1.00 0.00 C ATOM 948 C GLU A 152 64.108 -1.428 6.840 1.00 0.00 C ATOM 949 O GLU A 152 64.203 -0.211 7.004 1.00 0.00 O ATOM 950 CB GLU A 152 65.382 -2.988 5.380 1.00 0.00 C ATOM 951 CG GLU A 152 66.572 -3.949 5.312 1.00 0.00 C ATOM 952 CD GLU A 152 66.560 -4.677 3.972 1.00 0.00 C ATOM 953 OE1 GLU A 152 66.881 -4.050 2.976 1.00 0.00 O ATOM 954 OE2 GLU A 152 66.231 -5.852 3.962 1.00 0.00 O ATOM 0 H GLU A 152 65.405 -4.277 7.486 1.00 0.00 H new ATOM 0 HA GLU A 152 66.240 -1.696 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.453 -3.531 5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.462 -2.238 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.505 -3.398 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.520 -4.668 6.129 1.00 0.00 H new ATOM 961 N PHE A 153 62.942 -2.058 6.736 1.00 0.00 N ATOM 962 CA PHE A 153 61.681 -1.327 6.811 1.00 0.00 C ATOM 963 C PHE A 153 61.653 -0.451 8.060 1.00 0.00 C ATOM 964 O PHE A 153 60.938 0.549 8.120 1.00 0.00 O ATOM 965 CB PHE A 153 60.503 -2.303 6.858 1.00 0.00 C ATOM 966 CG PHE A 153 59.219 -1.566 6.562 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.875 -1.263 5.239 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.371 -1.189 7.610 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.682 -0.582 4.965 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.179 -0.509 7.335 1.00 0.00 C ATOM 971 CZ PHE A 153 56.834 -0.206 6.013 1.00 0.00 C ATOM 0 H PHE A 153 62.843 -3.064 6.601 1.00 0.00 H new ATOM 0 HA PHE A 153 61.597 -0.699 5.924 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.651 -3.102 6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.446 -2.772 7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.529 -1.554 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.636 -1.423 8.630 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.417 -0.347 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.525 -0.218 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 153 55.914 0.318 5.802 1.00 0.00 H new ATOM 981 N LEU A 154 62.444 -0.842 9.055 1.00 0.00 N ATOM 982 CA LEU A 154 62.512 -0.090 10.306 1.00 0.00 C ATOM 983 C LEU A 154 63.336 1.180 10.120 1.00 0.00 C ATOM 984 O LEU A 154 63.267 2.106 10.928 1.00 0.00 O ATOM 985 CB LEU A 154 63.151 -0.941 11.405 1.00 0.00 C ATOM 986 CG LEU A 154 62.088 -1.341 12.430 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.588 -0.094 13.158 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.913 -2.020 11.719 1.00 0.00 C ATOM 0 H LEU A 154 63.042 -1.667 9.022 1.00 0.00 H new ATOM 0 HA LEU A 154 61.495 0.176 10.596 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.605 -1.832 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.949 -0.382 11.894 1.00 0.00 H new ATOM 0 HG LEU A 154 62.525 -2.034 13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.831 -0.378 13.888 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.422 0.388 13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 154 61.155 0.599 12.437 1.00 0.00 H new ATOM 0 HD21 LEU A 154 60.158 -2.303 12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.476 -1.330 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 154 61.267 -2.911 11.200 1.00 0.00 H new ATOM 1000 N GLU A 155 64.119 1.211 9.045 1.00 0.00 N ATOM 1001 CA GLU A 155 64.957 2.372 8.759 1.00 0.00 C ATOM 1002 C GLU A 155 64.288 3.274 7.727 1.00 0.00 C ATOM 1003 O GLU A 155 64.239 4.493 7.885 1.00 0.00 O ATOM 1004 CB GLU A 155 66.321 1.930 8.223 1.00 0.00 C ATOM 1005 CG GLU A 155 67.330 3.067 8.396 1.00 0.00 C ATOM 1006 CD GLU A 155 68.702 2.608 7.917 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.754 1.892 6.931 1.00 0.00 O ATOM 1008 OE2 GLU A 155 69.682 2.980 8.542 1.00 0.00 O ATOM 0 H GLU A 155 64.191 0.455 8.364 1.00 0.00 H new ATOM 0 HA GLU A 155 65.093 2.923 9.689 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.663 1.042 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.240 1.659 7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 155 67.009 3.941 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 155 67.380 3.366 9.443 1.00 0.00 H new ATOM 1015 N PHE A 156 63.774 2.659 6.666 1.00 0.00 N ATOM 1016 CA PHE A 156 63.110 3.414 5.609 1.00 0.00 C ATOM 1017 C PHE A 156 61.751 3.919 6.083 1.00 0.00 C ATOM 1018 O PHE A 156 61.143 4.787 5.457 1.00 0.00 O ATOM 1019 CB PHE A 156 62.910 2.541 4.369 1.00 0.00 C ATOM 1020 CG PHE A 156 63.148 3.371 3.131 1.00 0.00 C ATOM 1021 CD1 PHE A 156 64.453 3.722 2.765 1.00 0.00 C ATOM 1022 CD2 PHE A 156 62.065 3.792 2.351 1.00 0.00 C ATOM 1023 CE1 PHE A 156 64.674 4.494 1.619 1.00 0.00 C ATOM 1024 CE2 PHE A 156 62.286 4.564 1.205 1.00 0.00 C ATOM 1025 CZ PHE A 156 63.591 4.916 0.839 1.00 0.00 C ATOM 0 H PHE A 156 63.804 1.651 6.516 1.00 0.00 H new ATOM 0 HA PHE A 156 63.745 4.263 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 156 63.597 1.695 4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 156 61.900 2.131 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 156 65.289 3.397 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 156 61.058 3.521 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 156 65.681 4.764 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 156 61.450 4.888 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 156 63.762 5.513 -0.045 1.00 0.00 H new ATOM 1035 N MET A 157 61.280 3.366 7.197 1.00 0.00 N ATOM 1036 CA MET A 157 59.989 3.767 7.747 1.00 0.00 C ATOM 1037 C MET A 157 60.124 4.117 9.226 1.00 0.00 C ATOM 1038 O MET A 157 59.522 3.476 10.088 1.00 0.00 O ATOM 1039 CB MET A 157 58.966 2.640 7.592 1.00 0.00 C ATOM 1040 CG MET A 157 59.082 2.032 6.192 1.00 0.00 C ATOM 1041 SD MET A 157 57.658 2.539 5.195 1.00 0.00 S ATOM 1042 CE MET A 157 57.889 4.325 5.365 1.00 0.00 C ATOM 0 H MET A 157 61.767 2.647 7.732 1.00 0.00 H new ATOM 0 HA MET A 157 59.648 4.644 7.196 1.00 0.00 H new ATOM 0 HB2 MET A 157 59.137 1.873 8.348 1.00 0.00 H new ATOM 0 HB3 MET A 157 57.959 3.025 7.750 1.00 0.00 H new ATOM 0 HG2 MET A 157 60.007 2.359 5.717 1.00 0.00 H new ATOM 0 HG3 MET A 157 59.125 0.945 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 157 57.183 4.846 4.719 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.717 4.617 6.401 1.00 0.00 H new ATOM 0 HE3 MET A 157 58.907 4.589 5.078 1.00 0.00 H new ATOM 1052 N LYS A 158 60.921 5.143 9.508 1.00 0.00 N ATOM 1053 CA LYS A 158 61.132 5.576 10.886 1.00 0.00 C ATOM 1054 C LYS A 158 59.869 6.231 11.437 1.00 0.00 C ATOM 1055 O LYS A 158 59.832 7.438 11.678 1.00 0.00 O ATOM 1056 CB LYS A 158 62.286 6.578 10.964 1.00 0.00 C ATOM 1057 CG LYS A 158 63.233 6.182 12.099 1.00 0.00 C ATOM 1058 CD LYS A 158 64.556 6.935 11.945 1.00 0.00 C ATOM 1059 CE LYS A 158 65.721 5.988 12.237 1.00 0.00 C ATOM 1060 NZ LYS A 158 66.392 5.617 10.959 1.00 0.00 N ATOM 0 H LYS A 158 61.427 5.686 8.808 1.00 0.00 H new ATOM 0 HA LYS A 158 61.376 4.696 11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.826 6.601 10.017 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.898 7.582 11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 158 62.780 6.414 13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 158 63.410 5.107 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 158 64.643 7.335 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.584 7.784 12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 158 66.434 6.467 12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 158 65.358 5.093 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 67.184 4.973 11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 65.709 5.144 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 66.751 6.475 10.494 1.00 0.00 H new ATOM 1074 N GLY A 159 58.833 5.420 11.634 1.00 0.00 N ATOM 1075 CA GLY A 159 57.567 5.926 12.158 1.00 0.00 C ATOM 1076 C GLY A 159 57.164 7.219 11.457 1.00 0.00 C ATOM 1077 O GLY A 159 57.161 8.294 12.058 1.00 0.00 O ATOM 0 H GLY A 159 58.844 4.419 11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 159 56.787 5.176 12.022 1.00 0.00 H new ATOM 0 HA3 GLY A 159 57.657 6.102 13.230 1.00 0.00 H new ATOM 1081 N VAL A 160 56.824 7.104 10.176 1.00 0.00 N ATOM 1082 CA VAL A 160 56.419 8.272 9.398 1.00 0.00 C ATOM 1083 C VAL A 160 54.901 8.420 9.406 1.00 0.00 C ATOM 1084 O VAL A 160 54.350 9.288 10.082 1.00 0.00 O ATOM 1085 CB VAL A 160 56.894 8.143 7.950 1.00 0.00 C ATOM 1086 CG1 VAL A 160 56.465 9.381 7.160 1.00 0.00 C ATOM 1087 CG2 VAL A 160 58.419 8.025 7.923 1.00 0.00 C ATOM 0 H VAL A 160 56.820 6.225 9.659 1.00 0.00 H new ATOM 0 HA VAL A 160 56.874 9.151 9.855 1.00 0.00 H new ATOM 0 HB VAL A 160 56.452 7.254 7.500 1.00 0.00 H new ATOM 0 HG11 VAL A 160 56.803 9.289 6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 160 55.379 9.467 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 160 56.907 10.270 7.609 1.00 0.00 H new ATOM 0 HG21 VAL A 160 58.759 7.933 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 160 58.861 8.914 8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 160 58.726 7.143 8.486 1.00 0.00 H new ATOM 1097 N GLU A 161 54.234 7.561 8.641 1.00 0.00 N ATOM 1098 CA GLU A 161 52.777 7.602 8.559 1.00 0.00 C ATOM 1099 C GLU A 161 52.240 6.293 7.989 1.00 0.00 C ATOM 1100 O GLU A 161 52.644 5.936 6.894 1.00 0.00 O ATOM 1101 CB GLU A 161 52.326 8.758 7.663 1.00 0.00 C ATOM 1102 CG GLU A 161 50.930 9.221 8.086 1.00 0.00 C ATOM 1103 CD GLU A 161 51.014 10.632 8.658 1.00 0.00 C ATOM 1104 OE1 GLU A 161 51.983 11.312 8.365 1.00 0.00 O ATOM 1105 OE2 GLU A 161 50.107 11.012 9.380 1.00 0.00 O ATOM 1106 OXT GLU A 161 51.434 5.666 8.656 1.00 0.00 O ATOM 0 H GLU A 161 54.673 6.835 8.074 1.00 0.00 H new ATOM 0 HA GLU A 161 52.385 7.748 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 161 53.032 9.585 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 161 52.314 8.440 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 161 50.255 9.203 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 161 50.519 8.539 8.831 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.731 -6.997 -0.138 1.00 0.00 CA HETATM 1115 CA CA A 3 66.056 -6.367 1.765 1.00 0.00 CA HETATM 1116 S1 EMD A 1 61.612 0.378 1.154 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.793 0.648 -0.151 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.756 -0.107 -0.281 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.539 1.568 -1.073 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.393 2.333 -1.124 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.302 2.335 -0.436 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.105 1.215 0.607 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.160 0.147 0.051 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.400 3.621 -0.434 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.906 4.126 0.778 1.00 0.00 C HETATM 1126 C10 EMD A 1 58.103 5.279 0.788 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.797 5.917 -0.440 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.293 5.408 -1.646 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.095 4.261 -1.643 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.918 7.161 -0.416 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.727 7.891 0.908 1.00 0.00 C HETATM 1132 C16 EMD A 1 57.494 7.357 2.100 1.00 0.00 C HETATM 1133 C17 EMD A 1 57.567 5.813 2.126 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.279 7.663 -1.546 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.393 7.119 -2.643 1.00 0.00 O HETATM 1136 C19 EMD A 1 55.406 8.917 -1.475 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.950 10.159 -1.830 1.00 0.00 C HETATM 1138 C21 EMD A 1 55.254 11.341 -1.537 1.00 0.00 C HETATM 1139 O21 EMD A 1 55.841 12.556 -1.912 1.00 0.00 O HETATM 1140 C22 EMD A 1 54.028 11.285 -0.898 1.00 0.00 C HETATM 1141 O22 EMD A 1 53.297 12.437 -0.587 1.00 0.00 O HETATM 1142 C23 EMD A 1 53.477 10.046 -0.541 1.00 0.00 C HETATM 1143 C24 EMD A 1 54.164 8.863 -0.829 1.00 0.00 C HETATM 1144 C25 EMD A 1 56.671 12.739 -3.086 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.852 12.485 -0.481 1.00 0.00 C HETATM 0 H263 EMD A 1 51.407 12.194 -1.433 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.521 11.799 0.299 1.00 0.00 H new HETATM 0 H261 EMD A 1 51.539 13.498 -0.229 1.00 0.00 H new HETATM 0 H253 EMD A 1 57.543 12.088 -3.021 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.098 12.490 -3.979 1.00 0.00 H new HETATM 0 H251 EMD A 1 56.997 13.777 -3.143 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.577 5.399 2.320 1.00 0.00 H new HETATM 0 H171 EMD A 1 58.214 5.487 2.940 1.00 0.00 H new HETATM 0 H162 EMD A 1 58.505 7.763 2.086 1.00 0.00 H new HETATM 0 H161 EMD A 1 57.021 7.709 3.017 1.00 0.00 H new HETATM 0 H152 EMD A 1 57.007 8.935 0.764 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.665 7.877 1.153 1.00 0.00 H new HETATM 0 H9 EMD A 1 59.146 3.623 1.715 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.638 -0.361 -0.786 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.930 -0.578 0.832 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.238 0.618 -0.289 1.00 0.00 H new HETATM 0 H6 EMD A 1 59.699 1.729 1.478 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.242 1.720 -1.796 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.734 7.901 -0.551 1.00 0.00 H new HETATM 0 H23 EMD A 1 52.511 10.005 -0.038 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.915 10.206 -2.334 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.483 3.865 -2.582 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.055 5.905 -2.587 1.00 0.00 H new