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 Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -0.464 USER MOD Single : A 98 SER OG : rot 65:sc= 1.2 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 153:sc=-0.00978 (180deg=-1.13) USER MOD Single : A 107 ASN : amide:sc= -6.27! C(o=-6.3!,f=-12!) 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 -135:sc= -2.49! (180deg=-4.92!) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 124 THR OG1 : rot -38:sc= -0.465 USER MOD Single : A 127 THR OG1 : rot -60:sc= 0.869 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.302 USER MOD Single : A 137 MET CE :methyl 172:sc= -3.09 (180deg=-3.39) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -162:sc= -0.0405 (180deg=-0.408) USER MOD Single : A 143 ASN : amide:sc= -4.12! C(o=-4.1!,f=-4.1!) USER MOD Single : A 144 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5.9!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 180:sc= -4.3! (180deg=-4.3!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 58.030 11.018 17.931 1.00 0.00 N ATOM 2 CA GLY A 91 57.550 9.980 18.840 1.00 0.00 C ATOM 3 C GLY A 91 57.047 8.770 18.061 1.00 0.00 C ATOM 4 O GLY A 91 57.810 8.101 17.365 1.00 0.00 O ATOM 0 HA2 GLY A 91 58.354 9.678 19.511 1.00 0.00 H new ATOM 0 HA3 GLY A 91 56.748 10.377 19.462 1.00 0.00 H new ATOM 8 N LYS A 92 55.750 8.498 18.186 1.00 0.00 N ATOM 9 CA LYS A 92 55.147 7.365 17.487 1.00 0.00 C ATOM 10 C LYS A 92 55.695 6.050 18.031 1.00 0.00 C ATOM 11 O LYS A 92 54.952 5.223 18.560 1.00 0.00 O ATOM 12 CB LYS A 92 55.440 7.444 15.987 1.00 0.00 C ATOM 13 CG LYS A 92 54.771 8.690 15.400 1.00 0.00 C ATOM 14 CD LYS A 92 54.853 8.644 13.873 1.00 0.00 C ATOM 15 CE LYS A 92 53.526 8.135 13.305 1.00 0.00 C ATOM 16 NZ LYS A 92 52.563 9.268 13.197 1.00 0.00 N ATOM 0 H LYS A 92 55.102 9.040 18.758 1.00 0.00 H new ATOM 0 HA LYS A 92 54.070 7.405 17.649 1.00 0.00 H new ATOM 0 HB2 LYS A 92 56.516 7.482 15.818 1.00 0.00 H new ATOM 0 HB3 LYS A 92 55.070 6.550 15.486 1.00 0.00 H new ATOM 0 HG2 LYS A 92 53.729 8.740 15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 92 55.261 9.589 15.774 1.00 0.00 H new ATOM 0 HD2 LYS A 92 55.072 9.637 13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 92 55.668 7.991 13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 92 53.686 7.686 12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 92 53.117 7.357 13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 51.661 8.922 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 52.402 9.678 14.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 52.953 9.996 12.565 1.00 0.00 H new ATOM 30 N SER A 93 57.005 5.866 17.892 1.00 0.00 N ATOM 31 CA SER A 93 57.648 4.647 18.372 1.00 0.00 C ATOM 32 C SER A 93 57.389 3.492 17.409 1.00 0.00 C ATOM 33 O SER A 93 56.790 3.671 16.349 1.00 0.00 O ATOM 34 CB SER A 93 57.116 4.270 19.754 1.00 0.00 C ATOM 35 OG SER A 93 56.868 5.454 20.500 1.00 0.00 O ATOM 0 H SER A 93 57.636 6.538 17.456 1.00 0.00 H new ATOM 0 HA SER A 93 58.720 4.835 18.434 1.00 0.00 H new ATOM 0 HB2 SER A 93 56.199 3.688 19.657 1.00 0.00 H new ATOM 0 HB3 SER A 93 57.838 3.642 20.276 1.00 0.00 H new ATOM 0 HG SER A 93 56.525 5.216 21.387 1.00 0.00 H new ATOM 41 N GLU A 94 57.849 2.304 17.793 1.00 0.00 N ATOM 42 CA GLU A 94 57.663 1.120 16.959 1.00 0.00 C ATOM 43 C GLU A 94 56.178 0.814 16.788 1.00 0.00 C ATOM 44 O GLU A 94 55.788 0.014 15.937 1.00 0.00 O ATOM 45 CB GLU A 94 58.348 -0.094 17.591 1.00 0.00 C ATOM 46 CG GLU A 94 59.859 0.142 17.647 1.00 0.00 C ATOM 47 CD GLU A 94 60.296 0.297 19.100 1.00 0.00 C ATOM 48 OE1 GLU A 94 60.202 -0.674 19.833 1.00 0.00 O ATOM 49 OE2 GLU A 94 60.718 1.384 19.458 1.00 0.00 O ATOM 0 H GLU A 94 58.348 2.136 18.667 1.00 0.00 H new ATOM 0 HA GLU A 94 58.108 1.324 15.985 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.958 -0.263 18.595 1.00 0.00 H new ATOM 0 HB3 GLU A 94 58.131 -0.990 17.010 1.00 0.00 H new ATOM 0 HG2 GLU A 94 60.386 -0.693 17.185 1.00 0.00 H new ATOM 0 HG3 GLU A 94 60.119 1.036 17.080 1.00 0.00 H new ATOM 56 N GLU A 95 55.354 1.458 17.610 1.00 0.00 N ATOM 57 CA GLU A 95 53.910 1.248 17.547 1.00 0.00 C ATOM 58 C GLU A 95 53.386 1.528 16.142 1.00 0.00 C ATOM 59 O GLU A 95 52.691 0.704 15.548 1.00 0.00 O ATOM 60 CB GLU A 95 53.193 2.169 18.537 1.00 0.00 C ATOM 61 CG GLU A 95 52.586 1.333 19.666 1.00 0.00 C ATOM 62 CD GLU A 95 51.374 2.058 20.242 1.00 0.00 C ATOM 63 OE1 GLU A 95 51.121 3.175 19.821 1.00 0.00 O ATOM 64 OE2 GLU A 95 50.716 1.485 21.095 1.00 0.00 O ATOM 0 H GLU A 95 55.657 2.123 18.321 1.00 0.00 H new ATOM 0 HA GLU A 95 53.712 0.208 17.806 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.894 2.897 18.946 1.00 0.00 H new ATOM 0 HB3 GLU A 95 52.411 2.731 18.026 1.00 0.00 H new ATOM 0 HG2 GLU A 95 52.292 0.353 19.289 1.00 0.00 H new ATOM 0 HG3 GLU A 95 53.327 1.165 20.447 1.00 0.00 H new ATOM 71 N GLU A 96 53.720 2.705 15.622 1.00 0.00 N ATOM 72 CA GLU A 96 53.271 3.093 14.287 1.00 0.00 C ATOM 73 C GLU A 96 54.076 2.370 13.210 1.00 0.00 C ATOM 74 O GLU A 96 53.554 2.037 12.146 1.00 0.00 O ATOM 75 CB GLU A 96 53.420 4.603 14.091 1.00 0.00 C ATOM 76 CG GLU A 96 52.035 5.253 14.075 1.00 0.00 C ATOM 77 CD GLU A 96 51.773 5.922 15.420 1.00 0.00 C ATOM 78 OE1 GLU A 96 52.410 5.535 16.386 1.00 0.00 O ATOM 79 OE2 GLU A 96 50.939 6.811 15.465 1.00 0.00 O ATOM 0 H GLU A 96 54.294 3.401 16.098 1.00 0.00 H new ATOM 0 HA GLU A 96 52.221 2.814 14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 96 54.024 5.027 14.893 1.00 0.00 H new ATOM 0 HB3 GLU A 96 53.942 4.810 13.157 1.00 0.00 H new ATOM 0 HG2 GLU A 96 51.976 5.989 13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.271 4.502 13.875 1.00 0.00 H new ATOM 86 N LEU A 97 55.355 2.137 13.492 1.00 0.00 N ATOM 87 CA LEU A 97 56.222 1.459 12.531 1.00 0.00 C ATOM 88 C LEU A 97 55.669 0.080 12.187 1.00 0.00 C ATOM 89 O LEU A 97 55.686 -0.340 11.030 1.00 0.00 O ATOM 90 CB LEU A 97 57.637 1.302 13.094 1.00 0.00 C ATOM 91 CG LEU A 97 58.141 2.646 13.630 1.00 0.00 C ATOM 92 CD1 LEU A 97 59.664 2.601 13.760 1.00 0.00 C ATOM 93 CD2 LEU A 97 57.751 3.771 12.666 1.00 0.00 C ATOM 0 H LEU A 97 55.810 2.403 14.365 1.00 0.00 H new ATOM 0 HA LEU A 97 56.258 2.071 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 97 57.639 0.559 13.892 1.00 0.00 H new ATOM 0 HB3 LEU A 97 58.308 0.937 12.317 1.00 0.00 H new ATOM 0 HG LEU A 97 57.691 2.834 14.605 1.00 0.00 H new ATOM 0 HD11 LEU A 97 60.025 3.556 14.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 59.947 1.805 14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 97 60.107 2.410 12.783 1.00 0.00 H new ATOM 0 HD21 LEU A 97 58.112 4.724 13.053 1.00 0.00 H new ATOM 0 HD22 LEU A 97 58.197 3.584 11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 97 56.666 3.807 12.569 1.00 0.00 H new ATOM 105 N SER A 98 55.179 -0.622 13.204 1.00 0.00 N ATOM 106 CA SER A 98 54.624 -1.956 12.997 1.00 0.00 C ATOM 107 C SER A 98 53.524 -1.919 11.941 1.00 0.00 C ATOM 108 O SER A 98 53.518 -2.716 11.002 1.00 0.00 O ATOM 109 CB SER A 98 54.043 -2.504 14.300 1.00 0.00 C ATOM 110 OG SER A 98 55.062 -2.538 15.290 1.00 0.00 O ATOM 0 H SER A 98 55.154 -0.295 14.170 1.00 0.00 H new ATOM 0 HA SER A 98 55.432 -2.605 12.659 1.00 0.00 H new ATOM 0 HB2 SER A 98 53.216 -1.878 14.634 1.00 0.00 H new ATOM 0 HB3 SER A 98 53.641 -3.505 14.140 1.00 0.00 H new ATOM 0 HG SER A 98 55.347 -1.624 15.498 1.00 0.00 H new ATOM 116 N ASP A 99 52.593 -0.984 12.106 1.00 0.00 N ATOM 117 CA ASP A 99 51.487 -0.849 11.162 1.00 0.00 C ATOM 118 C ASP A 99 52.010 -0.476 9.778 1.00 0.00 C ATOM 119 O ASP A 99 51.673 -1.111 8.779 1.00 0.00 O ATOM 120 CB ASP A 99 50.508 0.227 11.634 1.00 0.00 C ATOM 121 CG ASP A 99 49.484 -0.397 12.575 1.00 0.00 C ATOM 122 OD1 ASP A 99 49.729 -1.498 13.041 1.00 0.00 O ATOM 123 OD2 ASP A 99 48.468 0.234 12.817 1.00 0.00 O ATOM 0 H ASP A 99 52.581 -0.315 12.876 1.00 0.00 H new ATOM 0 HA ASP A 99 50.971 -1.808 11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 99 51.047 1.026 12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 99 50.005 0.677 10.778 1.00 0.00 H new ATOM 128 N LEU A 100 52.839 0.563 9.731 1.00 0.00 N ATOM 129 CA LEU A 100 53.406 1.014 8.464 1.00 0.00 C ATOM 130 C LEU A 100 53.848 -0.182 7.626 1.00 0.00 C ATOM 131 O LEU A 100 53.476 -0.310 6.459 1.00 0.00 O ATOM 132 CB LEU A 100 54.606 1.931 8.712 1.00 0.00 C ATOM 133 CG LEU A 100 54.119 3.372 8.873 1.00 0.00 C ATOM 134 CD1 LEU A 100 55.257 4.241 9.411 1.00 0.00 C ATOM 135 CD2 LEU A 100 53.666 3.911 7.515 1.00 0.00 C ATOM 0 H LEU A 100 53.131 1.103 10.546 1.00 0.00 H new ATOM 0 HA LEU A 100 52.637 1.568 7.925 1.00 0.00 H new ATOM 0 HB2 LEU A 100 55.141 1.614 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 100 55.308 1.863 7.881 1.00 0.00 H new ATOM 0 HG LEU A 100 53.283 3.396 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 100 54.908 5.267 9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 100 55.581 3.858 10.379 1.00 0.00 H new ATOM 0 HD13 LEU A 100 56.094 4.218 8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 100 53.319 4.938 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 100 54.502 3.886 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 100 52.854 3.294 7.131 1.00 0.00 H new ATOM 147 N PHE A 101 54.640 -1.062 8.234 1.00 0.00 N ATOM 148 CA PHE A 101 55.117 -2.249 7.532 1.00 0.00 C ATOM 149 C PHE A 101 53.965 -2.905 6.779 1.00 0.00 C ATOM 150 O PHE A 101 54.029 -3.106 5.566 1.00 0.00 O ATOM 151 CB PHE A 101 55.707 -3.258 8.519 1.00 0.00 C ATOM 152 CG PHE A 101 56.570 -4.245 7.771 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.998 -5.085 6.808 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.942 -4.321 8.040 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.798 -6.000 6.114 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.742 -5.236 7.346 1.00 0.00 C ATOM 157 CZ PHE A 101 58.170 -6.076 6.383 1.00 0.00 C ATOM 0 H PHE A 101 54.961 -0.977 9.198 1.00 0.00 H new ATOM 0 HA PHE A 101 55.891 -1.942 6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 101 56.298 -2.741 9.275 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.907 -3.781 9.043 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.940 -5.027 6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.383 -3.673 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.357 -6.648 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.800 -5.294 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.787 -6.783 5.848 1.00 0.00 H new ATOM 167 N ARG A 102 52.901 -3.223 7.513 1.00 0.00 N ATOM 168 CA ARG A 102 51.727 -3.841 6.904 1.00 0.00 C ATOM 169 C ARG A 102 51.030 -2.825 6.012 1.00 0.00 C ATOM 170 O ARG A 102 50.485 -3.162 4.961 1.00 0.00 O ATOM 171 CB ARG A 102 50.749 -4.322 7.978 1.00 0.00 C ATOM 172 CG ARG A 102 49.460 -4.809 7.313 1.00 0.00 C ATOM 173 CD ARG A 102 48.411 -5.103 8.386 1.00 0.00 C ATOM 174 NE ARG A 102 48.490 -6.497 8.816 1.00 0.00 N ATOM 175 CZ ARG A 102 47.466 -7.087 9.425 1.00 0.00 C ATOM 176 NH1 ARG A 102 46.368 -6.418 9.653 1.00 0.00 N ATOM 177 NH2 ARG A 102 47.558 -8.335 9.796 1.00 0.00 N ATOM 0 H ARG A 102 52.828 -3.065 8.518 1.00 0.00 H new ATOM 0 HA ARG A 102 52.051 -4.699 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 102 51.198 -5.128 8.559 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.529 -3.512 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 102 49.087 -4.053 6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.657 -5.707 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 102 48.563 -4.444 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 102 47.415 -4.893 7.995 1.00 0.00 H new ATOM 0 HE ARG A 102 49.345 -7.026 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 102 46.296 -5.443 9.364 1.00 0.00 H new ATOM 0 HH12 ARG A 102 45.583 -6.871 10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 102 48.416 -8.858 9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 102 46.772 -8.787 10.263 1.00 0.00 H new ATOM 191 N MET A 103 51.070 -1.569 6.445 1.00 0.00 N ATOM 192 CA MET A 103 50.459 -0.487 5.687 1.00 0.00 C ATOM 193 C MET A 103 51.049 -0.444 4.283 1.00 0.00 C ATOM 194 O MET A 103 50.420 0.033 3.338 1.00 0.00 O ATOM 195 CB MET A 103 50.719 0.851 6.380 1.00 0.00 C ATOM 196 CG MET A 103 49.509 1.769 6.202 1.00 0.00 C ATOM 197 SD MET A 103 48.280 1.401 7.480 1.00 0.00 S ATOM 198 CE MET A 103 46.812 1.823 6.511 1.00 0.00 C ATOM 0 H MET A 103 51.518 -1.278 7.314 1.00 0.00 H new ATOM 0 HA MET A 103 49.385 -0.663 5.629 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.912 0.690 7.441 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.609 1.321 5.961 1.00 0.00 H new ATOM 0 HG2 MET A 103 49.818 2.812 6.269 1.00 0.00 H new ATOM 0 HG3 MET A 103 49.074 1.628 5.213 1.00 0.00 H new ATOM 0 HE1 MET A 103 45.919 1.667 7.117 1.00 0.00 H new ATOM 0 HE2 MET A 103 46.866 2.868 6.206 1.00 0.00 H new ATOM 0 HE3 MET A 103 46.765 1.188 5.626 1.00 0.00 H new ATOM 208 N PHE A 104 52.271 -0.956 4.163 1.00 0.00 N ATOM 209 CA PHE A 104 52.958 -0.985 2.876 1.00 0.00 C ATOM 210 C PHE A 104 52.849 -2.374 2.254 1.00 0.00 C ATOM 211 O PHE A 104 52.818 -2.523 1.032 1.00 0.00 O ATOM 212 CB PHE A 104 54.435 -0.627 3.053 1.00 0.00 C ATOM 213 CG PHE A 104 54.921 0.121 1.836 1.00 0.00 C ATOM 214 CD1 PHE A 104 54.941 -0.512 0.587 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.352 1.447 1.955 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.391 0.183 -0.542 1.00 0.00 C ATOM 217 CE2 PHE A 104 55.801 2.142 0.826 1.00 0.00 C ATOM 218 CZ PHE A 104 55.821 1.510 -0.423 1.00 0.00 C ATOM 0 H PHE A 104 52.803 -1.354 4.937 1.00 0.00 H new ATOM 0 HA PHE A 104 52.487 -0.254 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.568 -0.016 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 104 55.025 -1.532 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.609 -1.536 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.338 1.934 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.406 -0.305 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.132 3.166 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.168 2.046 -1.294 1.00 0.00 H new ATOM 228 N ASP A 105 52.784 -3.389 3.111 1.00 0.00 N ATOM 229 CA ASP A 105 52.669 -4.765 2.639 1.00 0.00 C ATOM 230 C ASP A 105 51.259 -5.020 2.120 1.00 0.00 C ATOM 231 O ASP A 105 50.282 -4.916 2.863 1.00 0.00 O ATOM 232 CB ASP A 105 52.970 -5.750 3.770 1.00 0.00 C ATOM 233 CG ASP A 105 53.634 -6.997 3.196 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.367 -6.863 2.230 1.00 0.00 O ATOM 235 OD2 ASP A 105 53.398 -8.069 3.730 1.00 0.00 O ATOM 0 H ASP A 105 52.809 -3.287 4.126 1.00 0.00 H new ATOM 0 HA ASP A 105 53.391 -4.911 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.623 -5.284 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.049 -6.020 4.286 1.00 0.00 H new ATOM 240 N LYS A 106 51.160 -5.345 0.836 1.00 0.00 N ATOM 241 CA LYS A 106 49.859 -5.601 0.227 1.00 0.00 C ATOM 242 C LYS A 106 49.726 -7.062 -0.190 1.00 0.00 C ATOM 243 O LYS A 106 48.729 -7.458 -0.794 1.00 0.00 O ATOM 244 CB LYS A 106 49.669 -4.719 -1.004 1.00 0.00 C ATOM 245 CG LYS A 106 48.934 -3.438 -0.608 1.00 0.00 C ATOM 246 CD LYS A 106 48.613 -2.631 -1.866 1.00 0.00 C ATOM 247 CE LYS A 106 47.992 -3.554 -2.918 1.00 0.00 C ATOM 248 NZ LYS A 106 47.209 -2.744 -3.893 1.00 0.00 N ATOM 0 H LYS A 106 51.954 -5.437 0.203 1.00 0.00 H new ATOM 0 HA LYS A 106 49.096 -5.371 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 106 50.637 -4.475 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 106 49.102 -5.256 -1.764 1.00 0.00 H new ATOM 0 HG2 LYS A 106 48.015 -3.682 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 106 49.549 -2.847 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 106 47.925 -1.821 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 106 49.521 -2.173 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 106 48.774 -4.110 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 106 47.345 -4.288 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 47.177 -3.238 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 46.241 -2.612 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 47.662 -1.816 -4.016 1.00 0.00 H new ATOM 262 N ASN A 107 50.737 -7.861 0.135 1.00 0.00 N ATOM 263 CA ASN A 107 50.709 -9.276 -0.219 1.00 0.00 C ATOM 264 C ASN A 107 50.712 -10.149 1.036 1.00 0.00 C ATOM 265 O ASN A 107 50.788 -11.375 0.953 1.00 0.00 O ATOM 266 CB ASN A 107 51.918 -9.638 -1.084 1.00 0.00 C ATOM 267 CG ASN A 107 53.202 -9.284 -0.343 1.00 0.00 C ATOM 268 OD1 ASN A 107 53.270 -9.393 0.881 1.00 0.00 O ATOM 269 ND2 ASN A 107 54.234 -8.861 -1.020 1.00 0.00 N ATOM 0 H ASN A 107 51.574 -7.560 0.635 1.00 0.00 H new ATOM 0 HA ASN A 107 49.793 -9.459 -0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.904 -10.702 -1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 107 51.873 -9.101 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 107 55.098 -8.620 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 107 54.176 -8.771 -2.034 1.00 0.00 H new ATOM 276 N ALA A 108 50.624 -9.505 2.198 1.00 0.00 N ATOM 277 CA ALA A 108 50.614 -10.234 3.466 1.00 0.00 C ATOM 278 C ALA A 108 51.697 -11.309 3.481 1.00 0.00 C ATOM 279 O ALA A 108 51.408 -12.499 3.604 1.00 0.00 O ATOM 280 CB ALA A 108 49.255 -10.899 3.690 1.00 0.00 C ATOM 0 H ALA A 108 50.559 -8.491 2.289 1.00 0.00 H new ATOM 0 HA ALA A 108 50.807 -9.516 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.265 -11.437 4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.476 -10.137 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 108 49.054 -11.598 2.878 1.00 0.00 H new ATOM 286 N ASP A 109 52.948 -10.877 3.353 1.00 0.00 N ATOM 287 CA ASP A 109 54.070 -11.815 3.351 1.00 0.00 C ATOM 288 C ASP A 109 55.128 -11.412 4.378 1.00 0.00 C ATOM 289 O ASP A 109 55.899 -12.247 4.852 1.00 0.00 O ATOM 290 CB ASP A 109 54.719 -11.867 1.966 1.00 0.00 C ATOM 291 CG ASP A 109 55.507 -10.584 1.723 1.00 0.00 C ATOM 292 OD1 ASP A 109 55.133 -9.567 2.286 1.00 0.00 O ATOM 293 OD2 ASP A 109 56.472 -10.637 0.980 1.00 0.00 O ATOM 0 H ASP A 109 53.210 -9.897 3.250 1.00 0.00 H new ATOM 0 HA ASP A 109 53.676 -12.797 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.380 -12.731 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 109 53.954 -11.987 1.199 1.00 0.00 H new ATOM 298 N GLY A 110 55.164 -10.124 4.713 1.00 0.00 N ATOM 299 CA GLY A 110 56.139 -9.628 5.680 1.00 0.00 C ATOM 300 C GLY A 110 57.360 -9.062 4.962 1.00 0.00 C ATOM 301 O GLY A 110 58.427 -8.898 5.553 1.00 0.00 O ATOM 0 H GLY A 110 54.538 -9.413 4.335 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.684 -8.856 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.443 -10.435 6.346 1.00 0.00 H new ATOM 305 N TYR A 111 57.187 -8.768 3.676 1.00 0.00 N ATOM 306 CA TYR A 111 58.276 -8.221 2.873 1.00 0.00 C ATOM 307 C TYR A 111 57.720 -7.363 1.742 1.00 0.00 C ATOM 308 O TYR A 111 56.827 -7.783 1.007 1.00 0.00 O ATOM 309 CB TYR A 111 59.116 -9.348 2.269 1.00 0.00 C ATOM 310 CG TYR A 111 59.971 -9.977 3.343 1.00 0.00 C ATOM 311 CD1 TYR A 111 59.450 -11.000 4.144 1.00 0.00 C ATOM 312 CD2 TYR A 111 61.287 -9.540 3.535 1.00 0.00 C ATOM 313 CE1 TYR A 111 60.244 -11.587 5.136 1.00 0.00 C ATOM 314 CE2 TYR A 111 62.082 -10.126 4.528 1.00 0.00 C ATOM 315 CZ TYR A 111 61.560 -11.149 5.328 1.00 0.00 C ATOM 316 OH TYR A 111 62.344 -11.727 6.306 1.00 0.00 O ATOM 0 H TYR A 111 56.310 -8.898 3.171 1.00 0.00 H new ATOM 0 HA TYR A 111 58.901 -7.611 3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 111 58.466 -10.100 1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 111 59.747 -8.957 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.434 -11.337 3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 111 61.689 -8.751 2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 111 59.842 -12.377 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 111 63.097 -9.789 4.676 1.00 0.00 H new ATOM 0 HH TYR A 111 63.230 -11.308 6.305 1.00 0.00 H new ATOM 326 N ILE A 112 58.261 -6.156 1.608 1.00 0.00 N ATOM 327 CA ILE A 112 57.814 -5.245 0.558 1.00 0.00 C ATOM 328 C ILE A 112 58.699 -5.387 -0.675 1.00 0.00 C ATOM 329 O ILE A 112 59.900 -5.634 -0.568 1.00 0.00 O ATOM 330 CB ILE A 112 57.864 -3.797 1.047 1.00 0.00 C ATOM 331 CG1 ILE A 112 56.812 -3.593 2.139 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.575 -2.852 -0.120 1.00 0.00 C ATOM 333 CD1 ILE A 112 57.506 -3.260 3.460 1.00 0.00 C ATOM 0 H ILE A 112 59.001 -5.788 2.206 1.00 0.00 H new ATOM 0 HA ILE A 112 56.786 -5.502 0.301 1.00 0.00 H new ATOM 0 HB ILE A 112 58.854 -3.584 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 112 56.134 -2.787 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 112 56.208 -4.494 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.611 -1.820 0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 112 58.323 -2.997 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.585 -3.064 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.757 -3.115 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 112 58.166 -4.080 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 112 58.090 -2.347 3.344 1.00 0.00 H new ATOM 345 N ASP A 113 58.091 -5.232 -1.848 1.00 0.00 N ATOM 346 CA ASP A 113 58.834 -5.349 -3.101 1.00 0.00 C ATOM 347 C ASP A 113 58.527 -4.169 -4.017 1.00 0.00 C ATOM 348 O ASP A 113 57.593 -3.404 -3.778 1.00 0.00 O ATOM 349 CB ASP A 113 58.464 -6.646 -3.822 1.00 0.00 C ATOM 350 CG ASP A 113 56.948 -6.811 -3.830 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.265 -5.843 -3.540 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.492 -7.903 -4.127 1.00 0.00 O ATOM 0 H ASP A 113 57.098 -5.027 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 113 59.897 -5.355 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.843 -6.627 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.930 -7.496 -3.324 1.00 0.00 H new ATOM 357 N LEU A 114 59.326 -4.033 -5.073 1.00 0.00 N ATOM 358 CA LEU A 114 59.133 -2.945 -6.026 1.00 0.00 C ATOM 359 C LEU A 114 57.771 -3.067 -6.702 1.00 0.00 C ATOM 360 O LEU A 114 57.063 -2.078 -6.888 1.00 0.00 O ATOM 361 CB LEU A 114 60.227 -2.969 -7.097 1.00 0.00 C ATOM 362 CG LEU A 114 60.681 -1.540 -7.400 1.00 0.00 C ATOM 363 CD1 LEU A 114 61.578 -1.037 -6.267 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.466 -1.523 -8.713 1.00 0.00 C ATOM 0 H LEU A 114 60.105 -4.656 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 114 59.185 -2.004 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.073 -3.565 -6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 114 59.851 -3.442 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 114 59.808 -0.893 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 114 61.901 -0.019 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 114 61.022 -1.050 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 114 62.451 -1.684 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.790 -0.505 -8.930 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.338 -2.170 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.830 -1.881 -9.522 1.00 0.00 H new ATOM 376 N GLU A 115 57.410 -4.296 -7.065 1.00 0.00 N ATOM 377 CA GLU A 115 56.127 -4.541 -7.718 1.00 0.00 C ATOM 378 C GLU A 115 54.996 -3.896 -6.922 1.00 0.00 C ATOM 379 O GLU A 115 53.989 -3.465 -7.482 1.00 0.00 O ATOM 380 CB GLU A 115 55.861 -6.044 -7.835 1.00 0.00 C ATOM 381 CG GLU A 115 56.541 -6.590 -9.093 1.00 0.00 C ATOM 382 CD GLU A 115 55.958 -7.957 -9.435 1.00 0.00 C ATOM 383 OE1 GLU A 115 56.407 -8.932 -8.856 1.00 0.00 O ATOM 384 OE2 GLU A 115 55.071 -8.009 -10.272 1.00 0.00 O ATOM 0 H GLU A 115 57.981 -5.129 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 115 56.168 -4.103 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.239 -6.560 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 115 54.788 -6.231 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 115 56.395 -5.902 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 115 57.616 -6.671 -8.932 1.00 0.00 H new ATOM 391 N GLU A 116 55.178 -3.835 -5.605 1.00 0.00 N ATOM 392 CA GLU A 116 54.169 -3.239 -4.732 1.00 0.00 C ATOM 393 C GLU A 116 54.398 -1.736 -4.606 1.00 0.00 C ATOM 394 O GLU A 116 53.458 -0.944 -4.663 1.00 0.00 O ATOM 395 CB GLU A 116 54.225 -3.866 -3.337 1.00 0.00 C ATOM 396 CG GLU A 116 53.534 -5.231 -3.361 1.00 0.00 C ATOM 397 CD GLU A 116 53.702 -5.907 -2.004 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.726 -5.689 -1.378 1.00 0.00 O ATOM 399 OE2 GLU A 116 52.803 -6.632 -1.611 1.00 0.00 O ATOM 0 H GLU A 116 56.005 -4.187 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 116 53.191 -3.426 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.261 -3.977 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.737 -3.213 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.475 -5.111 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.963 -5.854 -4.146 1.00 0.00 H new ATOM 406 N LEU A 117 55.660 -1.354 -4.433 1.00 0.00 N ATOM 407 CA LEU A 117 56.004 0.059 -4.299 1.00 0.00 C ATOM 408 C LEU A 117 55.234 0.890 -5.319 1.00 0.00 C ATOM 409 O LEU A 117 54.407 1.728 -4.961 1.00 0.00 O ATOM 410 CB LEU A 117 57.505 0.269 -4.514 1.00 0.00 C ATOM 411 CG LEU A 117 58.153 0.699 -3.197 1.00 0.00 C ATOM 412 CD1 LEU A 117 58.793 -0.515 -2.522 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.229 1.751 -3.477 1.00 0.00 C ATOM 0 H LEU A 117 56.453 -1.994 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 117 55.736 0.378 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 117 57.964 -0.652 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 117 57.671 1.028 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 117 57.393 1.121 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.255 -0.208 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.028 -1.265 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.553 -0.938 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.691 2.058 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 117 59.989 1.328 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 117 58.775 2.617 -3.958 1.00 0.00 H new ATOM 425 N LYS A 118 55.511 0.645 -6.597 1.00 0.00 N ATOM 426 CA LYS A 118 54.833 1.375 -7.665 1.00 0.00 C ATOM 427 C LYS A 118 53.339 1.469 -7.374 1.00 0.00 C ATOM 428 O LYS A 118 52.734 2.534 -7.493 1.00 0.00 O ATOM 429 CB LYS A 118 55.036 0.671 -9.008 1.00 0.00 C ATOM 430 CG LYS A 118 56.513 0.735 -9.401 1.00 0.00 C ATOM 431 CD LYS A 118 56.958 -0.630 -9.928 1.00 0.00 C ATOM 432 CE LYS A 118 58.017 -0.436 -11.015 1.00 0.00 C ATOM 433 NZ LYS A 118 57.645 -1.235 -12.217 1.00 0.00 N ATOM 0 H LYS A 118 56.192 -0.045 -6.916 1.00 0.00 H new ATOM 0 HA LYS A 118 55.260 2.377 -7.714 1.00 0.00 H new ATOM 0 HB2 LYS A 118 54.712 -0.367 -8.939 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.424 1.145 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 118 56.665 1.499 -10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 118 57.118 1.020 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 118 57.363 -1.232 -9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.103 -1.173 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.096 0.619 -11.276 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.994 -0.747 -10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.364 -1.104 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.590 -2.242 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 56.721 -0.917 -12.572 1.00 0.00 H new ATOM 447 N ILE A 119 52.751 0.341 -6.987 1.00 0.00 N ATOM 448 CA ILE A 119 51.325 0.307 -6.677 1.00 0.00 C ATOM 449 C ILE A 119 51.020 1.242 -5.512 1.00 0.00 C ATOM 450 O ILE A 119 49.918 1.777 -5.397 1.00 0.00 O ATOM 451 CB ILE A 119 50.887 -1.110 -6.307 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.153 -2.051 -7.485 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.392 -1.114 -5.983 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.918 -3.496 -7.046 1.00 0.00 C ATOM 0 H ILE A 119 53.233 -0.552 -6.881 1.00 0.00 H new ATOM 0 HA ILE A 119 50.778 0.631 -7.562 1.00 0.00 H new ATOM 0 HB ILE A 119 51.450 -1.447 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.497 -1.802 -8.319 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.177 -1.929 -7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.080 -2.124 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.200 -0.444 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 119 48.830 -0.776 -6.854 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.107 -4.166 -7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.593 -3.741 -6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.886 -3.612 -6.714 1.00 0.00 H new ATOM 466 N MET A 120 52.016 1.433 -4.652 1.00 0.00 N ATOM 467 CA MET A 120 51.855 2.310 -3.496 1.00 0.00 C ATOM 468 C MET A 120 51.852 3.768 -3.941 1.00 0.00 C ATOM 469 O MET A 120 51.101 4.592 -3.417 1.00 0.00 O ATOM 470 CB MET A 120 52.997 2.096 -2.500 1.00 0.00 C ATOM 471 CG MET A 120 52.492 2.355 -1.079 1.00 0.00 C ATOM 472 SD MET A 120 51.489 0.952 -0.530 1.00 0.00 S ATOM 473 CE MET A 120 49.871 1.658 -0.930 1.00 0.00 C ATOM 0 H MET A 120 52.935 0.997 -4.732 1.00 0.00 H new ATOM 0 HA MET A 120 50.906 2.070 -3.015 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.379 1.078 -2.582 1.00 0.00 H new ATOM 0 HB3 MET A 120 53.825 2.766 -2.731 1.00 0.00 H new ATOM 0 HG2 MET A 120 53.335 2.500 -0.403 1.00 0.00 H new ATOM 0 HG3 MET A 120 51.901 3.271 -1.053 1.00 0.00 H new ATOM 0 HE1 MET A 120 49.184 1.485 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 120 49.973 2.730 -1.098 1.00 0.00 H new ATOM 0 HE3 MET A 120 49.480 1.185 -1.831 1.00 0.00 H new ATOM 483 N LEU A 121 52.701 4.075 -4.919 1.00 0.00 N ATOM 484 CA LEU A 121 52.792 5.437 -5.436 1.00 0.00 C ATOM 485 C LEU A 121 51.559 5.767 -6.270 1.00 0.00 C ATOM 486 O LEU A 121 50.859 6.746 -6.011 1.00 0.00 O ATOM 487 CB LEU A 121 54.043 5.599 -6.305 1.00 0.00 C ATOM 488 CG LEU A 121 55.261 5.049 -5.560 1.00 0.00 C ATOM 489 CD1 LEU A 121 56.541 5.494 -6.272 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.267 5.583 -4.126 1.00 0.00 C ATOM 0 H LEU A 121 53.329 3.407 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 121 52.853 6.119 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 121 53.913 5.071 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 121 54.196 6.651 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 121 55.213 3.960 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.408 5.102 -5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 121 56.540 5.115 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 121 56.588 6.583 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.135 5.191 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 121 55.314 6.672 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.357 5.267 -3.616 1.00 0.00 H new ATOM 502 N GLN A 122 51.300 4.934 -7.274 1.00 0.00 N ATOM 503 CA GLN A 122 50.145 5.139 -8.144 1.00 0.00 C ATOM 504 C GLN A 122 48.879 5.318 -7.312 1.00 0.00 C ATOM 505 O GLN A 122 47.924 5.966 -7.740 1.00 0.00 O ATOM 506 CB GLN A 122 49.960 3.941 -9.077 1.00 0.00 C ATOM 507 CG GLN A 122 51.153 3.845 -10.030 1.00 0.00 C ATOM 508 CD GLN A 122 50.886 2.761 -11.070 1.00 0.00 C ATOM 509 OE1 GLN A 122 49.871 2.068 -11.006 1.00 0.00 O ATOM 510 NE2 GLN A 122 51.745 2.572 -12.033 1.00 0.00 N ATOM 0 H GLN A 122 51.868 4.118 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 122 50.323 6.037 -8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 122 49.872 3.024 -8.495 1.00 0.00 H new ATOM 0 HB3 GLN A 122 49.036 4.048 -9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 122 51.317 4.804 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 122 52.060 3.613 -9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 122 52.586 3.146 -12.086 1.00 0.00 H new ATOM 0 HE22 GLN A 122 51.576 1.850 -12.733 1.00 0.00 H new ATOM 519 N ALA A 123 48.882 4.730 -6.119 1.00 0.00 N ATOM 520 CA ALA A 123 47.728 4.824 -5.229 1.00 0.00 C ATOM 521 C ALA A 123 47.716 6.167 -4.503 1.00 0.00 C ATOM 522 O ALA A 123 46.656 6.739 -4.247 1.00 0.00 O ATOM 523 CB ALA A 123 47.759 3.695 -4.195 1.00 0.00 C ATOM 0 H ALA A 123 49.663 4.188 -5.748 1.00 0.00 H new ATOM 0 HA ALA A 123 46.827 4.736 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 123 46.893 3.779 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 123 47.736 2.733 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.671 3.769 -3.603 1.00 0.00 H new ATOM 529 N THR A 124 48.905 6.663 -4.171 1.00 0.00 N ATOM 530 CA THR A 124 49.016 7.941 -3.470 1.00 0.00 C ATOM 531 C THR A 124 49.391 9.063 -4.437 1.00 0.00 C ATOM 532 O THR A 124 49.599 10.206 -4.031 1.00 0.00 O ATOM 533 CB THR A 124 50.079 7.859 -2.373 1.00 0.00 C ATOM 534 OG1 THR A 124 50.057 9.054 -1.605 1.00 0.00 O ATOM 535 CG2 THR A 124 51.459 7.685 -3.010 1.00 0.00 C ATOM 0 H THR A 124 49.795 6.207 -4.372 1.00 0.00 H new ATOM 0 HA THR A 124 48.045 8.158 -3.026 1.00 0.00 H new ATOM 0 HB THR A 124 49.870 7.007 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 124 49.895 9.819 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 124 52.216 7.627 -2.228 1.00 0.00 H new ATOM 0 HG22 THR A 124 51.475 6.768 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 124 51.671 8.536 -3.657 1.00 0.00 H new ATOM 543 N GLY A 125 49.476 8.725 -5.721 1.00 0.00 N ATOM 544 CA GLY A 125 49.827 9.715 -6.735 1.00 0.00 C ATOM 545 C GLY A 125 50.830 9.138 -7.728 1.00 0.00 C ATOM 546 O GLY A 125 52.042 9.250 -7.545 1.00 0.00 O ATOM 0 H GLY A 125 49.309 7.785 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 125 48.929 10.036 -7.263 1.00 0.00 H new ATOM 0 HA3 GLY A 125 50.249 10.599 -6.257 1.00 0.00 H new ATOM 550 N GLU A 126 50.306 8.520 -8.782 1.00 0.00 N ATOM 551 CA GLU A 126 51.157 7.924 -9.808 1.00 0.00 C ATOM 552 C GLU A 126 52.066 8.989 -10.428 1.00 0.00 C ATOM 553 O GLU A 126 52.545 9.885 -9.732 1.00 0.00 O ATOM 554 CB GLU A 126 50.293 7.272 -10.892 1.00 0.00 C ATOM 555 CG GLU A 126 49.488 8.347 -11.626 1.00 0.00 C ATOM 556 CD GLU A 126 48.795 7.725 -12.833 1.00 0.00 C ATOM 557 OE1 GLU A 126 48.636 6.516 -12.842 1.00 0.00 O ATOM 558 OE2 GLU A 126 48.434 8.467 -13.732 1.00 0.00 O ATOM 0 H GLU A 126 49.305 8.419 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 126 51.781 7.159 -9.346 1.00 0.00 H new ATOM 0 HB2 GLU A 126 50.924 6.732 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 126 49.619 6.542 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 126 48.750 8.786 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 126 50.146 9.154 -11.947 1.00 0.00 H new ATOM 565 N THR A 127 52.310 8.885 -11.736 1.00 0.00 N ATOM 566 CA THR A 127 53.170 9.849 -12.420 1.00 0.00 C ATOM 567 C THR A 127 54.403 10.149 -11.575 1.00 0.00 C ATOM 568 O THR A 127 54.689 11.302 -11.252 1.00 0.00 O ATOM 569 CB THR A 127 52.416 11.154 -12.692 1.00 0.00 C ATOM 570 OG1 THR A 127 53.303 12.095 -13.281 1.00 0.00 O ATOM 571 CG2 THR A 127 51.869 11.721 -11.381 1.00 0.00 C ATOM 0 H THR A 127 51.929 8.153 -12.335 1.00 0.00 H new ATOM 0 HA THR A 127 53.476 9.411 -13.370 1.00 0.00 H new ATOM 0 HB THR A 127 51.586 10.956 -13.370 1.00 0.00 H new ATOM 0 HG1 THR A 127 54.044 12.276 -12.666 1.00 0.00 H new ATOM 0 HG21 THR A 127 51.334 12.649 -11.581 1.00 0.00 H new ATOM 0 HG22 THR A 127 51.188 11.000 -10.929 1.00 0.00 H new ATOM 0 HG23 THR A 127 52.695 11.919 -10.697 1.00 0.00 H new ATOM 579 N ILE A 128 55.131 9.093 -11.224 1.00 0.00 N ATOM 580 CA ILE A 128 56.338 9.242 -10.417 1.00 0.00 C ATOM 581 C ILE A 128 57.545 8.696 -11.176 1.00 0.00 C ATOM 582 O ILE A 128 57.587 7.523 -11.546 1.00 0.00 O ATOM 583 CB ILE A 128 56.180 8.494 -9.087 1.00 0.00 C ATOM 584 CG1 ILE A 128 55.284 9.314 -8.153 1.00 0.00 C ATOM 585 CG2 ILE A 128 57.549 8.290 -8.430 1.00 0.00 C ATOM 586 CD1 ILE A 128 56.065 10.516 -7.614 1.00 0.00 C ATOM 0 H ILE A 128 54.909 8.132 -11.483 1.00 0.00 H new ATOM 0 HA ILE A 128 56.494 10.301 -10.212 1.00 0.00 H new ATOM 0 HB ILE A 128 55.729 7.520 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 128 54.398 9.654 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 128 54.938 8.693 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 128 57.424 7.758 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 128 58.188 7.707 -9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 128 58.010 9.259 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 128 55.425 11.097 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 128 56.937 10.165 -7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 128 56.389 11.142 -8.445 1.00 0.00 H new ATOM 598 N THR A 129 58.525 9.566 -11.407 1.00 0.00 N ATOM 599 CA THR A 129 59.731 9.166 -12.127 1.00 0.00 C ATOM 600 C THR A 129 60.271 7.851 -11.575 1.00 0.00 C ATOM 601 O THR A 129 60.068 7.522 -10.406 1.00 0.00 O ATOM 602 CB THR A 129 60.812 10.244 -12.003 1.00 0.00 C ATOM 603 OG1 THR A 129 62.056 9.718 -12.441 1.00 0.00 O ATOM 604 CG2 THR A 129 60.928 10.688 -10.544 1.00 0.00 C ATOM 0 H THR A 129 58.509 10.542 -11.110 1.00 0.00 H new ATOM 0 HA THR A 129 59.468 9.037 -13.177 1.00 0.00 H new ATOM 0 HB THR A 129 60.543 11.101 -12.620 1.00 0.00 H new ATOM 0 HG1 THR A 129 62.748 10.407 -12.364 1.00 0.00 H new ATOM 0 HG21 THR A 129 61.698 11.455 -10.457 1.00 0.00 H new ATOM 0 HG22 THR A 129 59.973 11.093 -10.210 1.00 0.00 H new ATOM 0 HG23 THR A 129 61.197 9.833 -9.924 1.00 0.00 H new ATOM 612 N GLU A 130 60.958 7.100 -12.432 1.00 0.00 N ATOM 613 CA GLU A 130 61.522 5.816 -12.022 1.00 0.00 C ATOM 614 C GLU A 130 62.649 6.021 -11.014 1.00 0.00 C ATOM 615 O GLU A 130 63.097 5.077 -10.364 1.00 0.00 O ATOM 616 CB GLU A 130 62.070 5.058 -13.233 1.00 0.00 C ATOM 617 CG GLU A 130 62.642 3.714 -12.776 1.00 0.00 C ATOM 618 CD GLU A 130 61.959 2.583 -13.539 1.00 0.00 C ATOM 619 OE1 GLU A 130 62.125 2.524 -14.746 1.00 0.00 O ATOM 620 OE2 GLU A 130 61.281 1.792 -12.904 1.00 0.00 O ATOM 0 H GLU A 130 61.137 7.354 -13.404 1.00 0.00 H new ATOM 0 HA GLU A 130 60.724 5.235 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.278 4.899 -13.965 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.844 5.647 -13.724 1.00 0.00 H new ATOM 0 HG2 GLU A 130 63.718 3.687 -12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 130 62.489 3.588 -11.704 1.00 0.00 H new ATOM 627 N ASP A 131 63.102 7.266 -10.890 1.00 0.00 N ATOM 628 CA ASP A 131 64.178 7.582 -9.955 1.00 0.00 C ATOM 629 C ASP A 131 63.642 7.676 -8.528 1.00 0.00 C ATOM 630 O ASP A 131 64.383 7.978 -7.592 1.00 0.00 O ATOM 631 CB ASP A 131 64.839 8.911 -10.328 1.00 0.00 C ATOM 632 CG ASP A 131 66.303 8.670 -10.678 1.00 0.00 C ATOM 633 OD1 ASP A 131 66.644 7.534 -10.966 1.00 0.00 O ATOM 634 OD2 ASP A 131 67.063 9.624 -10.653 1.00 0.00 O ATOM 0 H ASP A 131 62.746 8.063 -11.418 1.00 0.00 H new ATOM 0 HA ASP A 131 64.915 6.781 -10.011 1.00 0.00 H new ATOM 0 HB2 ASP A 131 64.321 9.362 -11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 131 64.763 9.613 -9.497 1.00 0.00 H new ATOM 639 N ASP A 132 62.346 7.415 -8.370 1.00 0.00 N ATOM 640 CA ASP A 132 61.722 7.473 -7.051 1.00 0.00 C ATOM 641 C ASP A 132 61.370 6.072 -6.566 1.00 0.00 C ATOM 642 O ASP A 132 61.124 5.853 -5.381 1.00 0.00 O ATOM 643 CB ASP A 132 60.450 8.320 -7.098 1.00 0.00 C ATOM 644 CG ASP A 132 60.668 9.608 -6.312 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.479 10.411 -6.743 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.020 9.773 -5.291 1.00 0.00 O ATOM 0 H ASP A 132 61.714 7.164 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 132 62.434 7.927 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.192 8.551 -8.132 1.00 0.00 H new ATOM 0 HB3 ASP A 132 59.613 7.762 -6.678 1.00 0.00 H new ATOM 651 N ILE A 133 61.347 5.125 -7.498 1.00 0.00 N ATOM 652 CA ILE A 133 61.023 3.744 -7.157 1.00 0.00 C ATOM 653 C ILE A 133 62.282 2.984 -6.751 1.00 0.00 C ATOM 654 O ILE A 133 62.337 2.368 -5.686 1.00 0.00 O ATOM 655 CB ILE A 133 60.375 3.036 -8.346 1.00 0.00 C ATOM 656 CG1 ILE A 133 59.304 3.944 -8.957 1.00 0.00 C ATOM 657 CG2 ILE A 133 59.727 1.733 -7.874 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.704 3.266 -10.190 1.00 0.00 C ATOM 0 H ILE A 133 61.547 5.285 -8.485 1.00 0.00 H new ATOM 0 HA ILE A 133 60.324 3.761 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 133 61.136 2.813 -9.094 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.523 4.147 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 133 59.740 4.904 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.265 1.228 -8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 133 60.488 1.086 -7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 133 58.966 1.955 -7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.941 3.912 -10.625 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.489 3.085 -10.924 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.253 2.317 -9.900 1.00 0.00 H new ATOM 670 N GLU A 134 63.294 3.031 -7.614 1.00 0.00 N ATOM 671 CA GLU A 134 64.550 2.339 -7.338 1.00 0.00 C ATOM 672 C GLU A 134 65.399 3.137 -6.352 1.00 0.00 C ATOM 673 O GLU A 134 65.882 2.603 -5.354 1.00 0.00 O ATOM 674 CB GLU A 134 65.345 2.132 -8.629 1.00 0.00 C ATOM 675 CG GLU A 134 65.394 0.640 -8.964 1.00 0.00 C ATOM 676 CD GLU A 134 64.370 0.328 -10.049 1.00 0.00 C ATOM 677 OE1 GLU A 134 63.593 1.211 -10.375 1.00 0.00 O ATOM 678 OE2 GLU A 134 64.377 -0.789 -10.539 1.00 0.00 O ATOM 0 H GLU A 134 63.270 3.535 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 134 64.307 1.370 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 134 64.882 2.684 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 134 66.356 2.523 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.393 0.365 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.186 0.049 -8.072 1.00 0.00 H new ATOM 685 N GLU A 135 65.577 4.423 -6.643 1.00 0.00 N ATOM 686 CA GLU A 135 66.371 5.286 -5.772 1.00 0.00 C ATOM 687 C GLU A 135 65.947 5.103 -4.318 1.00 0.00 C ATOM 688 O GLU A 135 66.773 5.125 -3.406 1.00 0.00 O ATOM 689 CB GLU A 135 66.191 6.755 -6.162 1.00 0.00 C ATOM 690 CG GLU A 135 67.356 7.578 -5.607 1.00 0.00 C ATOM 691 CD GLU A 135 68.033 8.336 -6.743 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.372 9.156 -7.358 1.00 0.00 O ATOM 693 OE2 GLU A 135 69.203 8.084 -6.983 1.00 0.00 O ATOM 0 H GLU A 135 65.188 4.886 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 135 67.419 5.008 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.148 6.851 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.246 7.133 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 135 66.994 8.278 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.075 6.923 -5.114 1.00 0.00 H new ATOM 700 N LEU A 136 64.645 4.921 -4.117 1.00 0.00 N ATOM 701 CA LEU A 136 64.105 4.735 -2.773 1.00 0.00 C ATOM 702 C LEU A 136 64.380 3.319 -2.275 1.00 0.00 C ATOM 703 O LEU A 136 64.809 3.117 -1.139 1.00 0.00 O ATOM 704 CB LEU A 136 62.595 4.978 -2.773 1.00 0.00 C ATOM 705 CG LEU A 136 62.222 5.898 -1.610 1.00 0.00 C ATOM 706 CD1 LEU A 136 60.969 6.696 -1.975 1.00 0.00 C ATOM 707 CD2 LEU A 136 61.945 5.056 -0.364 1.00 0.00 C ATOM 0 H LEU A 136 63.948 4.898 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 136 64.593 5.450 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 136 62.289 5.428 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.064 4.030 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 136 63.045 6.584 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 136 60.702 7.352 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 136 61.165 7.295 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 136 60.146 6.010 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 136 61.679 5.711 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.121 4.371 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 136 62.837 4.486 -0.105 1.00 0.00 H new ATOM 719 N MET A 137 64.121 2.341 -3.137 1.00 0.00 N ATOM 720 CA MET A 137 64.336 0.942 -2.776 1.00 0.00 C ATOM 721 C MET A 137 65.820 0.662 -2.553 1.00 0.00 C ATOM 722 O MET A 137 66.203 -0.001 -1.589 1.00 0.00 O ATOM 723 CB MET A 137 63.818 0.019 -3.881 1.00 0.00 C ATOM 724 CG MET A 137 63.575 -1.378 -3.307 1.00 0.00 C ATOM 725 SD MET A 137 61.984 -1.409 -2.446 1.00 0.00 S ATOM 726 CE MET A 137 61.404 -2.992 -3.104 1.00 0.00 C ATOM 0 H MET A 137 63.765 2.488 -4.082 1.00 0.00 H new ATOM 0 HA MET A 137 63.790 0.750 -1.852 1.00 0.00 H new ATOM 0 HB2 MET A 137 62.894 0.418 -4.299 1.00 0.00 H new ATOM 0 HB3 MET A 137 64.540 -0.032 -4.696 1.00 0.00 H new ATOM 0 HG2 MET A 137 63.582 -2.118 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 137 64.378 -1.645 -2.620 1.00 0.00 H new ATOM 0 HE1 MET A 137 60.487 -3.285 -2.592 1.00 0.00 H new ATOM 0 HE2 MET A 137 61.208 -2.892 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 137 62.167 -3.754 -2.945 1.00 0.00 H new ATOM 736 N LYS A 138 66.650 1.170 -3.459 1.00 0.00 N ATOM 737 CA LYS A 138 68.093 0.965 -3.358 1.00 0.00 C ATOM 738 C LYS A 138 68.588 1.275 -1.948 1.00 0.00 C ATOM 739 O LYS A 138 69.223 0.441 -1.302 1.00 0.00 O ATOM 740 CB LYS A 138 68.831 1.859 -4.356 1.00 0.00 C ATOM 741 CG LYS A 138 69.288 1.020 -5.550 1.00 0.00 C ATOM 742 CD LYS A 138 70.796 1.185 -5.744 1.00 0.00 C ATOM 743 CE LYS A 138 71.526 0.013 -5.085 1.00 0.00 C ATOM 744 NZ LYS A 138 71.800 -1.038 -6.105 1.00 0.00 N ATOM 0 H LYS A 138 66.353 1.721 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 138 68.297 -0.081 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 138 68.177 2.664 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 138 69.691 2.326 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 138 69.045 -0.030 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 138 68.759 1.332 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 138 71.035 1.225 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.129 2.127 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 138 72.460 0.356 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 138 70.921 -0.398 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 72.296 -1.835 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 70.902 -1.372 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 72.393 -0.641 -6.861 1.00 0.00 H new ATOM 758 N ASP A 139 68.296 2.485 -1.480 1.00 0.00 N ATOM 759 CA ASP A 139 68.723 2.897 -0.143 1.00 0.00 C ATOM 760 C ASP A 139 67.932 2.156 0.931 1.00 0.00 C ATOM 761 O ASP A 139 68.234 2.254 2.121 1.00 0.00 O ATOM 762 CB ASP A 139 68.525 4.402 0.044 1.00 0.00 C ATOM 763 CG ASP A 139 69.031 4.815 1.422 1.00 0.00 C ATOM 764 OD1 ASP A 139 70.006 4.237 1.871 1.00 0.00 O ATOM 765 OD2 ASP A 139 68.435 5.704 2.008 1.00 0.00 O ATOM 0 H ASP A 139 67.772 3.191 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 139 69.781 2.653 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 139 69.062 4.949 -0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 139 67.470 4.656 -0.059 1.00 0.00 H new ATOM 770 N GLY A 140 66.914 1.413 0.503 1.00 0.00 N ATOM 771 CA GLY A 140 66.087 0.661 1.444 1.00 0.00 C ATOM 772 C GLY A 140 66.201 -0.837 1.187 1.00 0.00 C ATOM 773 O GLY A 140 65.347 -1.620 1.604 1.00 0.00 O ATOM 0 H GLY A 140 66.644 1.316 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.396 0.884 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 140 65.047 0.973 1.350 1.00 0.00 H new ATOM 777 N ASP A 141 67.267 -1.228 0.495 1.00 0.00 N ATOM 778 CA ASP A 141 67.488 -2.637 0.185 1.00 0.00 C ATOM 779 C ASP A 141 68.888 -3.066 0.613 1.00 0.00 C ATOM 780 O ASP A 141 69.649 -3.623 -0.178 1.00 0.00 O ATOM 781 CB ASP A 141 67.329 -2.887 -1.316 1.00 0.00 C ATOM 782 CG ASP A 141 66.606 -4.211 -1.538 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.456 -4.949 -0.578 1.00 0.00 O ATOM 784 OD2 ASP A 141 66.214 -4.468 -2.664 1.00 0.00 O ATOM 0 H ASP A 141 67.985 -0.596 0.141 1.00 0.00 H new ATOM 0 HA ASP A 141 66.747 -3.220 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 141 66.767 -2.073 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 141 68.307 -2.909 -1.797 1.00 0.00 H new ATOM 789 N LYS A 142 69.218 -2.804 1.875 1.00 0.00 N ATOM 790 CA LYS A 142 70.532 -3.174 2.395 1.00 0.00 C ATOM 791 C LYS A 142 70.831 -4.632 2.067 1.00 0.00 C ATOM 792 O LYS A 142 71.972 -5.001 1.789 1.00 0.00 O ATOM 793 CB LYS A 142 70.587 -2.978 3.913 1.00 0.00 C ATOM 794 CG LYS A 142 71.860 -3.624 4.468 1.00 0.00 C ATOM 795 CD LYS A 142 71.486 -4.828 5.335 1.00 0.00 C ATOM 796 CE LYS A 142 72.756 -5.464 5.906 1.00 0.00 C ATOM 797 NZ LYS A 142 73.577 -6.020 4.794 1.00 0.00 N ATOM 0 H LYS A 142 68.605 -2.344 2.548 1.00 0.00 H new ATOM 0 HA LYS A 142 71.277 -2.531 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 142 70.572 -1.915 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 142 69.708 -3.423 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.507 -3.939 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 142 72.421 -2.899 5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 142 70.828 -4.515 6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 142 70.936 -5.559 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.330 -4.721 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 142 72.495 -6.254 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 74.262 -6.702 5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 72.957 -6.499 4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 74.086 -5.248 4.318 1.00 0.00 H new ATOM 811 N ASN A 143 69.788 -5.457 2.098 1.00 0.00 N ATOM 812 CA ASN A 143 69.941 -6.877 1.798 1.00 0.00 C ATOM 813 C ASN A 143 70.131 -7.083 0.299 1.00 0.00 C ATOM 814 O ASN A 143 70.634 -8.117 -0.142 1.00 0.00 O ATOM 815 CB ASN A 143 68.706 -7.657 2.254 1.00 0.00 C ATOM 816 CG ASN A 143 68.800 -7.929 3.752 1.00 0.00 C ATOM 817 OD1 ASN A 143 69.850 -8.333 4.252 1.00 0.00 O ATOM 818 ND2 ASN A 143 67.753 -7.729 4.505 1.00 0.00 N ATOM 0 H ASN A 143 68.836 -5.170 2.326 1.00 0.00 H new ATOM 0 HA ASN A 143 70.818 -7.243 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 143 67.802 -7.089 2.033 1.00 0.00 H new ATOM 0 HB3 ASN A 143 68.634 -8.597 1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.805 -7.907 5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 143 66.883 -7.394 4.091 1.00 0.00 H new ATOM 825 N ASN A 144 69.723 -6.084 -0.478 1.00 0.00 N ATOM 826 CA ASN A 144 69.851 -6.160 -1.930 1.00 0.00 C ATOM 827 C ASN A 144 69.165 -7.415 -2.460 1.00 0.00 C ATOM 828 O ASN A 144 69.763 -8.208 -3.186 1.00 0.00 O ATOM 829 CB ASN A 144 71.325 -6.187 -2.339 1.00 0.00 C ATOM 830 CG ASN A 144 71.436 -6.061 -3.855 1.00 0.00 C ATOM 831 OD1 ASN A 144 70.564 -6.525 -4.589 1.00 0.00 O ATOM 832 ND2 ASN A 144 72.468 -5.452 -4.372 1.00 0.00 N ATOM 0 H ASN A 144 69.305 -5.221 -0.131 1.00 0.00 H new ATOM 0 HA ASN A 144 69.374 -5.277 -2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.862 -5.371 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 144 71.789 -7.116 -2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 144 72.552 -5.361 -5.384 1.00 0.00 H new ATOM 0 HD22 ASN A 144 73.191 -5.067 -3.764 1.00 0.00 H new ATOM 839 N ASP A 145 67.899 -7.584 -2.087 1.00 0.00 N ATOM 840 CA ASP A 145 67.133 -8.746 -2.529 1.00 0.00 C ATOM 841 C ASP A 145 65.947 -8.312 -3.386 1.00 0.00 C ATOM 842 O ASP A 145 65.267 -9.139 -3.994 1.00 0.00 O ATOM 843 CB ASP A 145 66.612 -9.532 -1.324 1.00 0.00 C ATOM 844 CG ASP A 145 66.027 -8.566 -0.300 1.00 0.00 C ATOM 845 OD1 ASP A 145 65.735 -7.442 -0.674 1.00 0.00 O ATOM 846 OD2 ASP A 145 65.881 -8.963 0.845 1.00 0.00 O ATOM 0 H ASP A 145 67.386 -6.939 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 145 67.795 -9.379 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 145 65.852 -10.245 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 145 67.421 -10.108 -0.875 1.00 0.00 H new ATOM 851 N GLY A 146 65.703 -7.004 -3.427 1.00 0.00 N ATOM 852 CA GLY A 146 64.593 -6.471 -4.211 1.00 0.00 C ATOM 853 C GLY A 146 63.357 -6.293 -3.337 1.00 0.00 C ATOM 854 O GLY A 146 62.233 -6.208 -3.832 1.00 0.00 O ATOM 0 H GLY A 146 66.252 -6.301 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 146 64.876 -5.514 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 146 64.367 -7.145 -5.037 1.00 0.00 H new ATOM 858 N ARG A 147 63.580 -6.240 -2.026 1.00 0.00 N ATOM 859 CA ARG A 147 62.479 -6.075 -1.082 1.00 0.00 C ATOM 860 C ARG A 147 62.990 -5.518 0.244 1.00 0.00 C ATOM 861 O ARG A 147 64.181 -5.254 0.407 1.00 0.00 O ATOM 862 CB ARG A 147 61.794 -7.417 -0.822 1.00 0.00 C ATOM 863 CG ARG A 147 62.853 -8.476 -0.509 1.00 0.00 C ATOM 864 CD ARG A 147 62.173 -9.748 0.000 1.00 0.00 C ATOM 865 NE ARG A 147 62.527 -10.892 -0.837 1.00 0.00 N ATOM 866 CZ ARG A 147 62.279 -12.136 -0.438 1.00 0.00 C ATOM 867 NH1 ARG A 147 61.692 -12.351 0.707 1.00 0.00 N ATOM 868 NH2 ARG A 147 62.619 -13.144 -1.195 1.00 0.00 N ATOM 0 H ARG A 147 64.503 -6.308 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 147 61.764 -5.377 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 147 61.097 -7.327 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 147 61.212 -7.716 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 147 63.436 -8.696 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 147 63.549 -8.099 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 147 62.472 -9.939 1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 147 61.091 -9.613 0.001 1.00 0.00 H new ATOM 0 HE ARG A 147 62.971 -10.734 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 147 61.423 -11.564 1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 147 61.502 -13.306 1.012 1.00 0.00 H new ATOM 0 HH21 ARG A 147 63.075 -12.977 -2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 147 62.429 -14.098 -0.889 1.00 0.00 H new ATOM 882 N ILE A 148 62.071 -5.346 1.190 1.00 0.00 N ATOM 883 CA ILE A 148 62.433 -4.823 2.505 1.00 0.00 C ATOM 884 C ILE A 148 62.123 -5.856 3.585 1.00 0.00 C ATOM 885 O ILE A 148 61.253 -6.711 3.414 1.00 0.00 O ATOM 886 CB ILE A 148 61.657 -3.539 2.814 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.281 -2.827 1.507 1.00 0.00 C ATOM 888 CG2 ILE A 148 62.523 -2.614 3.670 1.00 0.00 C ATOM 889 CD1 ILE A 148 62.517 -2.156 0.900 1.00 0.00 C ATOM 0 H ILE A 148 61.080 -5.558 1.074 1.00 0.00 H new ATOM 0 HA ILE A 148 63.501 -4.604 2.495 1.00 0.00 H new ATOM 0 HB ILE A 148 60.746 -3.792 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 148 60.863 -3.544 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.510 -2.081 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 148 61.971 -1.700 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 148 62.780 -3.116 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 148 63.436 -2.365 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 148 62.240 -1.654 -0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 148 62.917 -1.425 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.275 -2.911 0.691 1.00 0.00 H new ATOM 901 N ASP A 149 62.843 -5.768 4.700 1.00 0.00 N ATOM 902 CA ASP A 149 62.635 -6.701 5.805 1.00 0.00 C ATOM 903 C ASP A 149 62.208 -5.951 7.063 1.00 0.00 C ATOM 904 O ASP A 149 62.124 -4.723 7.074 1.00 0.00 O ATOM 905 CB ASP A 149 63.918 -7.480 6.098 1.00 0.00 C ATOM 906 CG ASP A 149 65.082 -6.507 6.245 1.00 0.00 C ATOM 907 OD1 ASP A 149 65.670 -6.162 5.233 1.00 0.00 O ATOM 908 OD2 ASP A 149 65.366 -6.119 7.366 1.00 0.00 O ATOM 0 H ASP A 149 63.568 -5.069 4.862 1.00 0.00 H new ATOM 0 HA ASP A 149 61.848 -7.397 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 149 63.801 -8.064 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.120 -8.186 5.292 1.00 0.00 H new ATOM 913 N TYR A 150 61.938 -6.707 8.124 1.00 0.00 N ATOM 914 CA TYR A 150 61.516 -6.108 9.387 1.00 0.00 C ATOM 915 C TYR A 150 62.659 -5.316 10.016 1.00 0.00 C ATOM 916 O TYR A 150 62.453 -4.530 10.941 1.00 0.00 O ATOM 917 CB TYR A 150 61.061 -7.192 10.366 1.00 0.00 C ATOM 918 CG TYR A 150 60.250 -6.561 11.473 1.00 0.00 C ATOM 919 CD1 TYR A 150 59.178 -5.716 11.160 1.00 0.00 C ATOM 920 CD2 TYR A 150 60.571 -6.819 12.811 1.00 0.00 C ATOM 921 CE1 TYR A 150 58.427 -5.130 12.186 1.00 0.00 C ATOM 922 CE2 TYR A 150 59.820 -6.233 13.836 1.00 0.00 C ATOM 923 CZ TYR A 150 58.748 -5.388 13.524 1.00 0.00 C ATOM 924 OH TYR A 150 58.008 -4.809 14.535 1.00 0.00 O ATOM 0 H TYR A 150 62.003 -7.725 8.135 1.00 0.00 H new ATOM 0 HA TYR A 150 60.685 -5.435 9.177 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.464 -7.941 9.845 1.00 0.00 H new ATOM 0 HB3 TYR A 150 61.926 -7.707 10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.931 -5.517 10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 150 61.398 -7.470 13.052 1.00 0.00 H new ATOM 0 HE1 TYR A 150 57.600 -4.479 11.945 1.00 0.00 H new ATOM 0 HE2 TYR A 150 60.067 -6.433 14.868 1.00 0.00 H new ATOM 0 HH TYR A 150 58.362 -5.093 15.403 1.00 0.00 H new ATOM 934 N ASP A 151 63.868 -5.530 9.502 1.00 0.00 N ATOM 935 CA ASP A 151 65.039 -4.827 10.021 1.00 0.00 C ATOM 936 C ASP A 151 65.290 -3.550 9.226 1.00 0.00 C ATOM 937 O ASP A 151 65.242 -2.445 9.766 1.00 0.00 O ATOM 938 CB ASP A 151 66.281 -5.717 9.937 1.00 0.00 C ATOM 939 CG ASP A 151 66.668 -6.184 11.335 1.00 0.00 C ATOM 940 OD1 ASP A 151 66.934 -5.335 12.169 1.00 0.00 O ATOM 941 OD2 ASP A 151 66.693 -7.384 11.551 1.00 0.00 O ATOM 0 H ASP A 151 64.062 -6.176 8.737 1.00 0.00 H new ATOM 0 HA ASP A 151 64.843 -4.575 11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 151 66.083 -6.577 9.297 1.00 0.00 H new ATOM 0 HB3 ASP A 151 67.106 -5.166 9.485 1.00 0.00 H new ATOM 946 N GLU A 152 65.558 -3.716 7.934 1.00 0.00 N ATOM 947 CA GLU A 152 65.814 -2.573 7.066 1.00 0.00 C ATOM 948 C GLU A 152 64.611 -1.639 7.051 1.00 0.00 C ATOM 949 O GLU A 152 64.752 -0.418 7.120 1.00 0.00 O ATOM 950 CB GLU A 152 66.096 -3.045 5.640 1.00 0.00 C ATOM 951 CG GLU A 152 67.247 -4.051 5.653 1.00 0.00 C ATOM 952 CD GLU A 152 67.517 -4.532 4.232 1.00 0.00 C ATOM 953 OE1 GLU A 152 66.888 -4.015 3.324 1.00 0.00 O ATOM 954 OE2 GLU A 152 68.348 -5.411 4.073 1.00 0.00 O ATOM 0 H GLU A 152 65.603 -4.623 7.469 1.00 0.00 H new ATOM 0 HA GLU A 152 66.682 -2.040 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 152 65.203 -3.503 5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 152 66.350 -2.194 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 152 68.143 -3.590 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.998 -4.897 6.294 1.00 0.00 H new ATOM 961 N PHE A 153 63.423 -2.229 6.961 1.00 0.00 N ATOM 962 CA PHE A 153 62.194 -1.444 6.940 1.00 0.00 C ATOM 963 C PHE A 153 62.103 -0.572 8.188 1.00 0.00 C ATOM 964 O PHE A 153 61.879 0.635 8.105 1.00 0.00 O ATOM 965 CB PHE A 153 60.972 -2.363 6.886 1.00 0.00 C ATOM 966 CG PHE A 153 59.716 -1.528 6.820 1.00 0.00 C ATOM 967 CD1 PHE A 153 59.097 -1.100 8.001 1.00 0.00 C ATOM 968 CD2 PHE A 153 59.172 -1.179 5.579 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.933 -0.326 7.940 1.00 0.00 C ATOM 970 CE2 PHE A 153 58.007 -0.405 5.517 1.00 0.00 C ATOM 971 CZ PHE A 153 57.388 0.022 6.698 1.00 0.00 C ATOM 0 H PHE A 153 63.286 -3.238 6.902 1.00 0.00 H new ATOM 0 HA PHE A 153 62.212 -0.812 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 153 61.033 -3.016 6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.948 -3.006 7.766 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.518 -1.367 8.959 1.00 0.00 H new ATOM 0 HD2 PHE A 153 59.651 -1.507 4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.455 0.003 8.851 1.00 0.00 H new ATOM 0 HE2 PHE A 153 57.586 -0.138 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 153 56.490 0.620 6.651 1.00 0.00 H new ATOM 981 N LEU A 154 62.278 -1.200 9.347 1.00 0.00 N ATOM 982 CA LEU A 154 62.213 -0.475 10.613 1.00 0.00 C ATOM 983 C LEU A 154 63.184 0.701 10.606 1.00 0.00 C ATOM 984 O LEU A 154 62.993 1.687 11.318 1.00 0.00 O ATOM 985 CB LEU A 154 62.558 -1.401 11.781 1.00 0.00 C ATOM 986 CG LEU A 154 61.275 -2.024 12.336 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.633 -3.160 13.296 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.476 -0.957 13.088 1.00 0.00 C ATOM 0 H LEU A 154 62.464 -2.199 9.437 1.00 0.00 H new ATOM 0 HA LEU A 154 61.195 -0.104 10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.241 -2.183 11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.071 -0.841 12.563 1.00 0.00 H new ATOM 0 HG LEU A 154 60.677 -2.417 11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.719 -3.604 13.691 1.00 0.00 H new ATOM 0 HD12 LEU A 154 62.205 -3.920 12.763 1.00 0.00 H new ATOM 0 HD13 LEU A 154 62.231 -2.767 14.118 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.562 -1.399 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 154 61.075 -0.566 13.910 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.221 -0.146 12.406 1.00 0.00 H new ATOM 1000 N GLU A 155 64.230 0.587 9.792 1.00 0.00 N ATOM 1001 CA GLU A 155 65.227 1.649 9.698 1.00 0.00 C ATOM 1002 C GLU A 155 64.724 2.770 8.794 1.00 0.00 C ATOM 1003 O GLU A 155 64.578 3.914 9.223 1.00 0.00 O ATOM 1004 CB GLU A 155 66.540 1.107 9.133 1.00 0.00 C ATOM 1005 CG GLU A 155 67.705 1.948 9.658 1.00 0.00 C ATOM 1006 CD GLU A 155 68.769 2.075 8.573 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.659 2.984 7.767 1.00 0.00 O ATOM 1008 OE2 GLU A 155 69.679 1.262 8.565 1.00 0.00 O ATOM 0 H GLU A 155 64.408 -0.220 9.194 1.00 0.00 H new ATOM 0 HA GLU A 155 65.399 2.037 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.670 0.064 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.519 1.135 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 155 67.351 2.936 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 155 68.131 1.484 10.548 1.00 0.00 H new ATOM 1015 N PHE A 156 64.459 2.427 7.536 1.00 0.00 N ATOM 1016 CA PHE A 156 63.969 3.413 6.578 1.00 0.00 C ATOM 1017 C PHE A 156 62.609 3.943 7.019 1.00 0.00 C ATOM 1018 O PHE A 156 62.221 5.061 6.681 1.00 0.00 O ATOM 1019 CB PHE A 156 63.836 2.795 5.185 1.00 0.00 C ATOM 1020 CG PHE A 156 63.854 3.891 4.147 1.00 0.00 C ATOM 1021 CD1 PHE A 156 62.716 4.679 3.942 1.00 0.00 C ATOM 1022 CD2 PHE A 156 65.010 4.120 3.391 1.00 0.00 C ATOM 1023 CE1 PHE A 156 62.733 5.697 2.981 1.00 0.00 C ATOM 1024 CE2 PHE A 156 65.027 5.139 2.430 1.00 0.00 C ATOM 1025 CZ PHE A 156 63.888 5.927 2.225 1.00 0.00 C ATOM 0 H PHE A 156 64.574 1.486 7.160 1.00 0.00 H new ATOM 0 HA PHE A 156 64.688 4.231 6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 156 64.653 2.096 5.006 1.00 0.00 H new ATOM 0 HB3 PHE A 156 62.908 2.227 5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 156 61.824 4.502 4.525 1.00 0.00 H new ATOM 0 HD2 PHE A 156 65.888 3.511 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 156 61.854 6.305 2.823 1.00 0.00 H new ATOM 0 HE2 PHE A 156 65.919 5.317 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 156 63.901 6.712 1.484 1.00 0.00 H new ATOM 1035 N MET A 157 61.892 3.123 7.782 1.00 0.00 N ATOM 1036 CA MET A 157 60.574 3.510 8.275 1.00 0.00 C ATOM 1037 C MET A 157 60.681 4.044 9.700 1.00 0.00 C ATOM 1038 O MET A 157 60.030 3.545 10.618 1.00 0.00 O ATOM 1039 CB MET A 157 59.625 2.309 8.259 1.00 0.00 C ATOM 1040 CG MET A 157 58.265 2.736 7.704 1.00 0.00 C ATOM 1041 SD MET A 157 58.329 2.745 5.895 1.00 0.00 S ATOM 1042 CE MET A 157 56.721 3.526 5.614 1.00 0.00 C ATOM 0 H MET A 157 62.198 2.194 8.071 1.00 0.00 H new ATOM 0 HA MET A 157 60.180 4.289 7.622 1.00 0.00 H new ATOM 0 HB2 MET A 157 60.044 1.510 7.647 1.00 0.00 H new ATOM 0 HB3 MET A 157 59.509 1.911 9.267 1.00 0.00 H new ATOM 0 HG2 MET A 157 57.489 2.052 8.048 1.00 0.00 H new ATOM 0 HG3 MET A 157 58.004 3.727 8.074 1.00 0.00 H new ATOM 0 HE1 MET A 157 56.550 3.632 4.543 1.00 0.00 H new ATOM 0 HE2 MET A 157 55.935 2.907 6.047 1.00 0.00 H new ATOM 0 HE3 MET A 157 56.708 4.510 6.083 1.00 0.00 H new ATOM 1052 N LYS A 158 61.518 5.062 9.873 1.00 0.00 N ATOM 1053 CA LYS A 158 61.716 5.660 11.191 1.00 0.00 C ATOM 1054 C LYS A 158 60.546 6.572 11.549 1.00 0.00 C ATOM 1055 O LYS A 158 60.729 7.752 11.847 1.00 0.00 O ATOM 1056 CB LYS A 158 63.007 6.478 11.219 1.00 0.00 C ATOM 1057 CG LYS A 158 63.652 6.368 12.602 1.00 0.00 C ATOM 1058 CD LYS A 158 65.044 7.001 12.568 1.00 0.00 C ATOM 1059 CE LYS A 158 65.692 6.886 13.948 1.00 0.00 C ATOM 1060 NZ LYS A 158 66.083 8.242 14.427 1.00 0.00 N ATOM 0 H LYS A 158 62.066 5.488 9.125 1.00 0.00 H new ATOM 0 HA LYS A 158 61.781 4.850 11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 158 63.696 6.116 10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.794 7.522 10.988 1.00 0.00 H new ATOM 0 HG2 LYS A 158 63.031 6.869 13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 158 63.724 5.322 12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 158 65.663 6.503 11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 158 64.972 8.048 12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 158 64.997 6.427 14.651 1.00 0.00 H new ATOM 0 HE3 LYS A 158 66.568 6.240 13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 66.524 8.165 15.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 66.760 8.664 13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 65.238 8.845 14.490 1.00 0.00 H new ATOM 1074 N GLY A 159 59.343 6.009 11.517 1.00 0.00 N ATOM 1075 CA GLY A 159 58.145 6.777 11.842 1.00 0.00 C ATOM 1076 C GLY A 159 57.740 7.665 10.672 1.00 0.00 C ATOM 1077 O GLY A 159 57.735 8.892 10.776 1.00 0.00 O ATOM 0 H GLY A 159 59.171 5.034 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 159 57.328 6.099 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 159 58.329 7.391 12.724 1.00 0.00 H new ATOM 1081 N VAL A 160 57.398 7.030 9.555 1.00 0.00 N ATOM 1082 CA VAL A 160 56.989 7.770 8.365 1.00 0.00 C ATOM 1083 C VAL A 160 55.468 7.805 8.262 1.00 0.00 C ATOM 1084 O VAL A 160 54.775 6.949 8.810 1.00 0.00 O ATOM 1085 CB VAL A 160 57.558 7.120 7.103 1.00 0.00 C ATOM 1086 CG1 VAL A 160 57.239 7.999 5.892 1.00 0.00 C ATOM 1087 CG2 VAL A 160 59.074 6.979 7.243 1.00 0.00 C ATOM 0 H VAL A 160 57.395 6.016 9.448 1.00 0.00 H new ATOM 0 HA VAL A 160 57.375 8.786 8.452 1.00 0.00 H new ATOM 0 HB VAL A 160 57.112 6.135 6.967 1.00 0.00 H new ATOM 0 HG11 VAL A 160 57.644 7.538 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 160 56.159 8.103 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 160 57.687 8.983 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 160 59.481 6.516 6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 160 59.520 7.964 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 160 59.303 6.356 8.108 1.00 0.00 H new ATOM 1097 N GLU A 161 54.958 8.806 7.552 1.00 0.00 N ATOM 1098 CA GLU A 161 53.514 8.946 7.382 1.00 0.00 C ATOM 1099 C GLU A 161 52.845 9.214 8.726 1.00 0.00 C ATOM 1100 O GLU A 161 53.557 9.317 9.711 1.00 0.00 O ATOM 1101 CB GLU A 161 52.921 7.672 6.777 1.00 0.00 C ATOM 1102 CG GLU A 161 53.764 7.237 5.577 1.00 0.00 C ATOM 1103 CD GLU A 161 52.850 6.701 4.479 1.00 0.00 C ATOM 1104 OE1 GLU A 161 52.347 7.504 3.710 1.00 0.00 O ATOM 1105 OE2 GLU A 161 52.666 5.496 4.424 1.00 0.00 O ATOM 1106 OXT GLU A 161 51.629 9.310 8.751 1.00 0.00 O ATOM 0 H GLU A 161 55.514 9.525 7.090 1.00 0.00 H new ATOM 0 HA GLU A 161 53.333 9.785 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 161 52.897 6.879 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.891 7.849 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 161 54.344 8.080 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 161 54.476 6.469 5.879 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 54.400 -6.977 0.119 1.00 0.00 CA HETATM 1115 CA CA A 3 66.367 -5.586 2.102 1.00 0.00 CA HETATM 1116 S1 EMD A 1 60.959 0.574 3.266 1.00 0.00 S HETATM 1117 C2 EMD A 1 62.469 1.123 2.501 1.00 0.00 C HETATM 1118 O2 EMD A 1 63.522 0.522 2.708 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.425 2.113 1.617 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.273 2.749 1.208 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.022 2.550 1.451 1.00 0.00 C HETATM 1122 C6 EMD A 1 59.635 1.301 2.271 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.103 0.212 1.339 1.00 0.00 C HETATM 1124 C8 EMD A 1 58.989 3.699 1.174 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.273 4.261 2.239 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.347 5.292 2.003 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.148 5.749 0.677 1.00 0.00 C HETATM 1128 C12 EMD A 1 57.867 5.183 -0.383 1.00 0.00 C HETATM 1129 C13 EMD A 1 58.789 4.159 -0.134 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.134 6.860 0.433 1.00 0.00 N HETATM 1131 C15 EMD A 1 55.672 7.696 1.621 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.319 7.399 2.958 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.569 5.890 3.184 1.00 0.00 C HETATM 1134 C18 EMD A 1 55.607 7.148 -0.822 1.00 0.00 C HETATM 1135 O18 EMD A 1 55.938 6.509 -1.820 1.00 0.00 O HETATM 1136 C19 EMD A 1 54.588 8.273 -1.021 1.00 0.00 C HETATM 1137 C20 EMD A 1 54.924 9.393 -1.793 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.053 10.492 -1.852 1.00 0.00 C HETATM 1139 O21 EMD A 1 54.433 11.586 -2.638 1.00 0.00 O HETATM 1140 C22 EMD A 1 52.860 10.472 -1.149 1.00 0.00 C HETATM 1141 O22 EMD A 1 51.961 11.544 -1.176 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.519 9.353 -0.375 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.382 8.254 -0.311 1.00 0.00 C HETATM 1144 C25 EMD A 1 55.792 11.861 -3.063 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.040 11.867 -0.104 1.00 0.00 C HETATM 0 H263 EMD A 1 50.370 11.024 0.067 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.601 12.075 0.807 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.456 12.745 -0.379 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.428 11.992 -2.187 1.00 0.00 H new HETATM 0 H252 EMD A 1 56.163 11.027 -3.659 1.00 0.00 H new HETATM 0 H251 EMD A 1 55.809 12.771 -3.663 1.00 0.00 H new HETATM 0 H172 EMD A 1 55.618 5.371 3.301 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.128 5.742 4.108 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.267 7.933 3.024 1.00 0.00 H new HETATM 0 H161 EMD A 1 55.683 7.780 3.757 1.00 0.00 H new HETATM 0 H152 EMD A 1 55.845 8.746 1.385 1.00 0.00 H new HETATM 0 H151 EMD A 1 54.595 7.567 1.729 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.434 3.898 3.254 1.00 0.00 H new HETATM 0 H73 EMD A 1 59.909 -0.143 0.696 1.00 0.00 H new HETATM 0 H72 EMD A 1 58.719 -0.619 1.932 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.301 0.620 0.724 1.00 0.00 H new HETATM 0 H6 EMD A 1 58.882 1.663 2.972 1.00 0.00 H new HETATM 0 H3 EMD A 1 63.307 2.425 1.212 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.116 7.385 0.290 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.580 9.340 0.178 1.00 0.00 H new HETATM 0 H20 EMD A 1 55.862 9.411 -2.348 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.351 3.720 -0.958 1.00 0.00 H new HETATM 0 H12 EMD A 1 57.709 5.539 -1.401 1.00 0.00 H new