USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 LYS NZ :NH3+ -129:sc= 1.34 (180deg=-0.253!) USER MOD Set 1.2: A 138 TYR OH : rot -161:sc= 0.32 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.191) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.01! C(o=-3.8!,f=-1!) USER MOD Single : A 97 ASN : amide:sc= 0.221 K(o=0.22,f=-9.1!) USER MOD Single : A 101 SER OG : rot -165:sc= -0.276 USER MOD Single : A 107 HIS : no HE2:sc= -0.0223 K(o=-0.022,f=-7.7!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 103:sc= 0.952 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= -0.0567 (180deg=-0.488) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 124 MET CE :methyl -141:sc= -0.695 (180deg=-1.3) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 137 ASN : amide:sc= -7.03! C(o=-7!,f=-12!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 158:sc= -0.205 (180deg=-1.34!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 160:sc= -0.0139 (180deg=-0.221) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.551 -4.253 -1.831 1.00 0.00 N ATOM 2 CA ASP A 80 -19.755 -4.457 -0.590 1.00 0.00 C ATOM 3 C ASP A 80 -18.286 -4.642 -0.953 1.00 0.00 C ATOM 4 O ASP A 80 -17.411 -4.570 -0.089 1.00 0.00 O ATOM 5 CB ASP A 80 -20.271 -5.694 0.147 1.00 0.00 C ATOM 6 CG ASP A 80 -20.146 -6.923 -0.746 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.515 -6.812 -1.785 1.00 0.00 O ATOM 8 OD2 ASP A 80 -20.687 -7.953 -0.383 1.00 0.00 O ATOM 0 HA ASP A 80 -19.855 -3.586 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.704 -5.843 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.312 -5.548 0.435 1.00 0.00 H new ATOM 15 N SER A 81 -18.020 -4.882 -2.235 1.00 0.00 N ATOM 16 CA SER A 81 -16.648 -5.075 -2.686 1.00 0.00 C ATOM 17 C SER A 81 -15.809 -3.847 -2.348 1.00 0.00 C ATOM 18 O SER A 81 -14.700 -3.961 -1.828 1.00 0.00 O ATOM 19 CB SER A 81 -16.625 -5.302 -4.197 1.00 0.00 C ATOM 20 OG SER A 81 -17.369 -6.472 -4.513 1.00 0.00 O ATOM 0 H SER A 81 -18.726 -4.946 -2.969 1.00 0.00 H new ATOM 0 HA SER A 81 -16.232 -5.947 -2.180 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.048 -4.439 -4.711 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.597 -5.407 -4.544 1.00 0.00 H new ATOM 0 HG SER A 81 -17.356 -6.616 -5.482 1.00 0.00 H new ATOM 26 N GLU A 82 -16.343 -2.673 -2.661 1.00 0.00 N ATOM 27 CA GLU A 82 -15.632 -1.426 -2.396 1.00 0.00 C ATOM 28 C GLU A 82 -15.275 -1.329 -0.916 1.00 0.00 C ATOM 29 O GLU A 82 -14.158 -0.947 -0.563 1.00 0.00 O ATOM 30 CB GLU A 82 -16.516 -0.243 -2.806 1.00 0.00 C ATOM 31 CG GLU A 82 -15.737 1.071 -2.694 1.00 0.00 C ATOM 32 CD GLU A 82 -14.712 1.173 -3.817 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.734 0.326 -4.693 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.920 2.104 -3.785 1.00 0.00 O ATOM 0 H GLU A 82 -17.259 -2.557 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.709 -1.405 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.865 -0.380 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.400 -0.204 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.425 1.915 -2.742 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.235 1.123 -1.728 1.00 0.00 H new ATOM 41 N GLU A 83 -16.220 -1.682 -0.053 1.00 0.00 N ATOM 42 CA GLU A 83 -15.978 -1.632 1.383 1.00 0.00 C ATOM 43 C GLU A 83 -14.832 -2.570 1.752 1.00 0.00 C ATOM 44 O GLU A 83 -13.987 -2.241 2.587 1.00 0.00 O ATOM 45 CB GLU A 83 -17.250 -2.039 2.130 1.00 0.00 C ATOM 46 CG GLU A 83 -18.326 -0.974 1.908 1.00 0.00 C ATOM 47 CD GLU A 83 -19.626 -1.391 2.584 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.625 -2.415 3.249 1.00 0.00 O ATOM 49 OE2 GLU A 83 -20.608 -0.683 2.426 1.00 0.00 O ATOM 0 H GLU A 83 -17.151 -2.003 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.704 -0.616 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.601 -3.008 1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.042 -2.147 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.990 -0.018 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -18.492 -0.832 0.840 1.00 0.00 H new ATOM 56 N GLU A 84 -14.800 -3.730 1.107 1.00 0.00 N ATOM 57 CA GLU A 84 -13.752 -4.708 1.353 1.00 0.00 C ATOM 58 C GLU A 84 -12.390 -4.145 0.939 1.00 0.00 C ATOM 59 O GLU A 84 -11.390 -4.348 1.625 1.00 0.00 O ATOM 60 CB GLU A 84 -14.081 -6.000 0.583 1.00 0.00 C ATOM 61 CG GLU A 84 -12.810 -6.806 0.320 1.00 0.00 C ATOM 62 CD GLU A 84 -13.161 -8.236 -0.076 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.312 -8.474 -0.397 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.272 -9.070 -0.051 1.00 0.00 O ATOM 0 H GLU A 84 -15.488 -4.015 0.410 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.702 -4.936 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.788 -6.601 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.564 -5.754 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.230 -6.334 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.184 -6.812 1.212 1.00 0.00 H new ATOM 71 N LEU A 85 -12.358 -3.444 -0.181 1.00 0.00 N ATOM 72 CA LEU A 85 -11.108 -2.867 -0.662 1.00 0.00 C ATOM 73 C LEU A 85 -10.551 -1.904 0.379 1.00 0.00 C ATOM 74 O LEU A 85 -9.358 -1.920 0.683 1.00 0.00 O ATOM 75 CB LEU A 85 -11.354 -2.115 -1.977 1.00 0.00 C ATOM 76 CG LEU A 85 -10.088 -1.391 -2.443 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.991 -2.409 -2.780 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.412 -0.573 -3.692 1.00 0.00 C ATOM 0 H LEU A 85 -13.170 -3.260 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.389 -3.668 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.679 -2.816 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.160 -1.394 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.736 -0.737 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.095 -1.883 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.759 -3.000 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.338 -3.068 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.515 -0.054 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.766 -1.237 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.187 0.157 -3.458 1.00 0.00 H new ATOM 90 N LYS A 86 -11.425 -1.068 0.915 1.00 0.00 N ATOM 91 CA LYS A 86 -11.023 -0.090 1.920 1.00 0.00 C ATOM 92 C LYS A 86 -10.498 -0.787 3.171 1.00 0.00 C ATOM 93 O LYS A 86 -9.554 -0.308 3.804 1.00 0.00 O ATOM 94 CB LYS A 86 -12.203 0.815 2.254 1.00 0.00 C ATOM 95 CG LYS A 86 -12.488 1.699 1.036 1.00 0.00 C ATOM 96 CD LYS A 86 -13.719 2.568 1.298 1.00 0.00 C ATOM 97 CE LYS A 86 -13.969 3.474 0.091 1.00 0.00 C ATOM 98 NZ LYS A 86 -12.865 4.472 -0.016 1.00 0.00 N ATOM 0 H LYS A 86 -12.416 -1.045 0.674 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.215 0.521 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.080 0.219 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.976 1.430 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.625 2.330 0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.652 1.078 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.590 1.938 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.568 3.171 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.025 2.878 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.926 3.984 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.267 5.427 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.267 4.421 0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.290 4.264 -0.857 1.00 0.00 H new ATOM 112 N GLU A 87 -11.070 -1.940 3.495 1.00 0.00 N ATOM 113 CA GLU A 87 -10.588 -2.695 4.646 1.00 0.00 C ATOM 114 C GLU A 87 -9.140 -3.099 4.380 1.00 0.00 C ATOM 115 O GLU A 87 -8.271 -2.961 5.243 1.00 0.00 O ATOM 116 CB GLU A 87 -11.450 -3.938 4.882 1.00 0.00 C ATOM 117 CG GLU A 87 -12.825 -3.517 5.403 1.00 0.00 C ATOM 118 CD GLU A 87 -13.733 -4.735 5.533 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.274 -5.824 5.232 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.872 -4.560 5.930 1.00 0.00 O ATOM 0 H GLU A 87 -11.849 -2.365 2.992 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.649 -2.077 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.558 -4.500 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.964 -4.599 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.721 -3.027 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.273 -2.791 4.724 1.00 0.00 H new ATOM 127 N ALA A 88 -8.894 -3.569 3.160 1.00 0.00 N ATOM 128 CA ALA A 88 -7.551 -3.966 2.753 1.00 0.00 C ATOM 129 C ALA A 88 -6.626 -2.757 2.842 1.00 0.00 C ATOM 130 O ALA A 88 -5.504 -2.844 3.333 1.00 0.00 O ATOM 131 CB ALA A 88 -7.579 -4.494 1.318 1.00 0.00 C ATOM 0 H ALA A 88 -9.606 -3.684 2.438 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.187 -4.755 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.573 -4.789 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.242 -5.357 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.941 -3.713 0.650 1.00 0.00 H new ATOM 137 N PHE A 89 -7.116 -1.627 2.368 1.00 0.00 N ATOM 138 CA PHE A 89 -6.350 -0.397 2.403 1.00 0.00 C ATOM 139 C PHE A 89 -5.988 -0.041 3.844 1.00 0.00 C ATOM 140 O PHE A 89 -4.872 0.398 4.128 1.00 0.00 O ATOM 141 CB PHE A 89 -7.170 0.721 1.779 1.00 0.00 C ATOM 142 CG PHE A 89 -6.405 2.012 1.895 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.254 2.217 1.127 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.840 2.995 2.785 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.536 3.408 1.253 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.126 4.188 2.910 1.00 0.00 C ATOM 147 CZ PHE A 89 -4.971 4.395 2.146 1.00 0.00 C ATOM 0 H PHE A 89 -8.043 -1.536 1.953 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.427 -0.530 1.838 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.376 0.498 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.133 0.807 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.921 1.455 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.729 2.833 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.646 3.568 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.464 4.951 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.416 5.316 2.245 1.00 0.00 H new ATOM 157 N ARG A 90 -6.942 -0.237 4.748 1.00 0.00 N ATOM 158 CA ARG A 90 -6.737 0.052 6.151 1.00 0.00 C ATOM 159 C ARG A 90 -5.680 -0.872 6.749 1.00 0.00 C ATOM 160 O ARG A 90 -4.897 -0.464 7.609 1.00 0.00 O ATOM 161 CB ARG A 90 -8.059 -0.114 6.893 1.00 0.00 C ATOM 162 CG ARG A 90 -8.957 1.120 6.674 1.00 0.00 C ATOM 163 CD ARG A 90 -8.614 2.196 7.712 1.00 0.00 C ATOM 164 NE ARG A 90 -8.820 1.665 9.054 1.00 0.00 N ATOM 165 CZ ARG A 90 -9.989 1.792 9.678 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.060 1.241 9.178 1.00 0.00 N ATOM 167 NH2 ARG A 90 -10.059 2.469 10.790 1.00 0.00 N ATOM 0 H ARG A 90 -7.870 -0.598 4.525 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.383 1.078 6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.570 -1.010 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.871 -0.250 7.958 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.814 1.513 5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.007 0.839 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.579 2.515 7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.239 3.076 7.558 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.052 1.186 9.525 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.003 0.712 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.955 1.339 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.220 2.899 11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.953 2.569 11.271 1.00 0.00 H new ATOM 181 N VAL A 91 -5.647 -2.106 6.265 1.00 0.00 N ATOM 182 CA VAL A 91 -4.666 -3.081 6.729 1.00 0.00 C ATOM 183 C VAL A 91 -3.263 -2.611 6.358 1.00 0.00 C ATOM 184 O VAL A 91 -2.334 -2.672 7.164 1.00 0.00 O ATOM 185 CB VAL A 91 -4.938 -4.444 6.068 1.00 0.00 C ATOM 186 CG1 VAL A 91 -3.763 -5.397 6.307 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.220 -5.054 6.643 1.00 0.00 C ATOM 0 H VAL A 91 -6.287 -2.457 5.552 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.743 -3.180 7.812 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.057 -4.293 4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.971 -6.357 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.856 -4.970 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.625 -5.543 7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.407 -6.019 6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.107 -5.192 7.718 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.059 -4.386 6.449 1.00 0.00 H new ATOM 197 N PHE A 92 -3.130 -2.164 5.116 1.00 0.00 N ATOM 198 CA PHE A 92 -1.853 -1.699 4.585 1.00 0.00 C ATOM 199 C PHE A 92 -1.309 -0.486 5.336 1.00 0.00 C ATOM 200 O PHE A 92 -0.102 -0.372 5.550 1.00 0.00 O ATOM 201 CB PHE A 92 -2.030 -1.311 3.104 1.00 0.00 C ATOM 202 CG PHE A 92 -1.996 -2.536 2.217 1.00 0.00 C ATOM 203 CD1 PHE A 92 -0.856 -3.351 2.190 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.099 -2.854 1.412 1.00 0.00 C ATOM 205 CE1 PHE A 92 -0.824 -4.480 1.368 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.063 -3.980 0.589 1.00 0.00 C ATOM 207 CZ PHE A 92 -1.926 -4.795 0.565 1.00 0.00 C ATOM 0 H PHE A 92 -3.901 -2.113 4.450 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.141 -2.516 4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.977 -0.788 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.240 -0.621 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.002 -3.106 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.978 -2.226 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.053 -5.111 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.914 -4.223 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.899 -5.666 -0.073 1.00 0.00 H new ATOM 217 N ASP A 93 -2.189 0.439 5.678 1.00 0.00 N ATOM 218 CA ASP A 93 -1.769 1.669 6.344 1.00 0.00 C ATOM 219 C ASP A 93 -1.613 1.483 7.852 1.00 0.00 C ATOM 220 O ASP A 93 -2.545 1.727 8.617 1.00 0.00 O ATOM 221 CB ASP A 93 -2.800 2.764 6.061 1.00 0.00 C ATOM 222 CG ASP A 93 -2.212 4.144 6.347 1.00 0.00 C ATOM 223 OD1 ASP A 93 -1.025 4.220 6.627 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.956 5.108 6.269 1.00 0.00 O ATOM 0 H ASP A 93 -3.192 0.367 5.509 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.793 1.951 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.121 2.708 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.685 2.605 6.677 1.00 0.00 H new ATOM 229 N LYS A 94 -0.423 1.052 8.274 1.00 0.00 N ATOM 230 CA LYS A 94 -0.161 0.848 9.685 1.00 0.00 C ATOM 231 C LYS A 94 -0.402 2.149 10.442 1.00 0.00 C ATOM 232 O LYS A 94 -1.054 2.166 11.487 1.00 0.00 O ATOM 233 CB LYS A 94 1.296 0.407 9.883 1.00 0.00 C ATOM 234 CG LYS A 94 1.444 -0.267 11.243 1.00 0.00 C ATOM 235 CD LYS A 94 2.873 -0.794 11.403 1.00 0.00 C ATOM 236 CE LYS A 94 2.992 -1.588 12.706 1.00 0.00 C ATOM 237 NZ LYS A 94 2.808 -0.675 13.870 1.00 0.00 N ATOM 0 H LYS A 94 0.363 0.841 7.659 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.828 0.075 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.589 -0.281 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.960 1.269 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.216 0.443 12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.731 -1.087 11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.133 -1.428 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.578 0.037 11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.243 -2.379 12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.968 -2.071 12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.103 -1.160 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.386 0.179 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.806 -0.407 13.946 1.00 0.00 H new ATOM 251 N ASP A 95 0.147 3.236 9.904 1.00 0.00 N ATOM 252 CA ASP A 95 0.006 4.552 10.515 1.00 0.00 C ATOM 253 C ASP A 95 -1.438 5.029 10.462 1.00 0.00 C ATOM 254 O ASP A 95 -1.929 5.640 11.413 1.00 0.00 O ATOM 255 CB ASP A 95 0.877 5.555 9.782 1.00 0.00 C ATOM 256 CG ASP A 95 2.346 5.255 10.027 1.00 0.00 C ATOM 257 OD1 ASP A 95 2.655 4.688 11.064 1.00 0.00 O ATOM 258 OD2 ASP A 95 3.140 5.589 9.163 1.00 0.00 O ATOM 0 H ASP A 95 0.695 3.229 9.044 1.00 0.00 H new ATOM 0 HA ASP A 95 0.315 4.472 11.557 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.665 5.519 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.644 6.565 10.120 1.00 0.00 H new ATOM 263 N GLN A 96 -2.124 4.721 9.347 1.00 0.00 N ATOM 264 CA GLN A 96 -3.535 5.100 9.184 1.00 0.00 C ATOM 265 C GLN A 96 -3.688 6.599 8.930 1.00 0.00 C ATOM 266 O GLN A 96 -4.498 7.259 9.571 1.00 0.00 O ATOM 267 CB GLN A 96 -4.267 4.695 10.489 1.00 0.00 C ATOM 268 CG GLN A 96 -5.727 4.222 10.262 1.00 0.00 C ATOM 269 CD GLN A 96 -6.696 4.776 11.307 1.00 0.00 C ATOM 270 OE1 GLN A 96 -7.804 4.129 11.434 1.00 0.00 O flip ATOM 271 NE2 GLN A 96 -6.455 5.798 11.976 1.00 0.00 N flip ATOM 0 H GLN A 96 -1.728 4.216 8.554 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.961 4.592 8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.707 3.897 10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.271 5.545 11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -6.054 4.531 9.269 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.759 3.133 10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.570 6.290 11.855 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.143 6.143 12.645 1.00 0.00 H new ATOM 280 N ASN A 97 -2.912 7.132 7.988 1.00 0.00 N ATOM 281 CA ASN A 97 -2.995 8.558 7.665 1.00 0.00 C ATOM 282 C ASN A 97 -3.563 8.738 6.264 1.00 0.00 C ATOM 283 O ASN A 97 -3.596 9.846 5.733 1.00 0.00 O ATOM 284 CB ASN A 97 -1.608 9.186 7.748 1.00 0.00 C ATOM 285 CG ASN A 97 -0.682 8.531 6.732 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.006 7.478 6.182 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.457 9.094 6.450 1.00 0.00 N ATOM 0 H ASN A 97 -2.228 6.609 7.441 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.653 9.050 8.381 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.672 10.257 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.204 9.065 8.753 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.085 8.663 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.722 9.966 6.908 1.00 0.00 H new ATOM 294 N GLY A 98 -4.006 7.630 5.680 1.00 0.00 N ATOM 295 CA GLY A 98 -4.570 7.654 4.332 1.00 0.00 C ATOM 296 C GLY A 98 -3.468 7.491 3.290 1.00 0.00 C ATOM 297 O GLY A 98 -3.593 7.959 2.157 1.00 0.00 O ATOM 0 H GLY A 98 -3.987 6.708 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.303 6.854 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.097 8.594 4.169 1.00 0.00 H new ATOM 301 N PHE A 99 -2.389 6.824 3.691 1.00 0.00 N ATOM 302 CA PHE A 99 -1.257 6.587 2.800 1.00 0.00 C ATOM 303 C PHE A 99 -0.555 5.297 3.180 1.00 0.00 C ATOM 304 O PHE A 99 -0.502 4.936 4.358 1.00 0.00 O ATOM 305 CB PHE A 99 -0.244 7.726 2.913 1.00 0.00 C ATOM 306 CG PHE A 99 -0.835 8.993 2.348 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.657 9.796 3.143 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.565 9.357 1.023 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.212 10.967 2.614 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.121 10.526 0.494 1.00 0.00 C ATOM 311 CZ PHE A 99 -1.944 11.333 1.290 1.00 0.00 C ATOM 0 H PHE A 99 -2.275 6.438 4.628 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.639 6.525 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.033 7.877 3.956 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.668 7.468 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.864 9.513 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.072 8.736 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.847 11.588 3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.916 10.807 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.371 12.237 0.882 1.00 0.00 H new ATOM 321 N ILE A 100 0.031 4.629 2.190 1.00 0.00 N ATOM 322 CA ILE A 100 0.783 3.405 2.448 1.00 0.00 C ATOM 323 C ILE A 100 2.230 3.658 2.076 1.00 0.00 C ATOM 324 O ILE A 100 2.529 4.143 0.983 1.00 0.00 O ATOM 325 CB ILE A 100 0.232 2.235 1.634 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.263 2.087 1.930 1.00 0.00 C ATOM 327 CG2 ILE A 100 0.954 0.951 2.050 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.905 1.147 0.905 1.00 0.00 C ATOM 0 H ILE A 100 0.000 4.911 1.210 1.00 0.00 H new ATOM 0 HA ILE A 100 0.696 3.140 3.502 1.00 0.00 H new ATOM 0 HB ILE A 100 0.386 2.416 0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.407 1.695 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.748 3.063 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.566 0.112 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.022 1.057 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.789 0.768 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.969 1.045 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.775 1.557 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.429 0.168 0.960 1.00 0.00 H new ATOM 340 N SER A 101 3.118 3.341 3.000 1.00 0.00 N ATOM 341 CA SER A 101 4.546 3.547 2.789 1.00 0.00 C ATOM 342 C SER A 101 5.239 2.215 2.583 1.00 0.00 C ATOM 343 O SER A 101 4.777 1.185 3.072 1.00 0.00 O ATOM 344 CB SER A 101 5.150 4.254 4.003 1.00 0.00 C ATOM 345 OG SER A 101 5.477 3.289 4.994 1.00 0.00 O ATOM 0 H SER A 101 2.879 2.939 3.906 1.00 0.00 H new ATOM 0 HA SER A 101 4.687 4.164 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.042 4.807 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.443 4.980 4.405 1.00 0.00 H new ATOM 0 HG SER A 101 5.637 3.740 5.849 1.00 0.00 H new ATOM 351 N ALA A 102 6.363 2.239 1.877 1.00 0.00 N ATOM 352 CA ALA A 102 7.109 1.014 1.652 1.00 0.00 C ATOM 353 C ALA A 102 7.405 0.397 3.004 1.00 0.00 C ATOM 354 O ALA A 102 7.307 -0.816 3.192 1.00 0.00 O ATOM 355 CB ALA A 102 8.419 1.321 0.928 1.00 0.00 C ATOM 0 H ALA A 102 6.769 3.076 1.459 1.00 0.00 H new ATOM 0 HA ALA A 102 6.529 0.328 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.970 0.395 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.203 1.789 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.020 1.999 1.535 1.00 0.00 H new ATOM 361 N ALA A 103 7.748 1.265 3.948 1.00 0.00 N ATOM 362 CA ALA A 103 8.041 0.842 5.304 1.00 0.00 C ATOM 363 C ALA A 103 6.874 0.038 5.848 1.00 0.00 C ATOM 364 O ALA A 103 7.040 -1.080 6.331 1.00 0.00 O ATOM 365 CB ALA A 103 8.249 2.083 6.175 1.00 0.00 C ATOM 0 H ALA A 103 7.829 2.270 3.794 1.00 0.00 H new ATOM 0 HA ALA A 103 8.940 0.225 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.470 1.777 7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.082 2.667 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.344 2.690 6.166 1.00 0.00 H new ATOM 371 N GLU A 104 5.687 0.615 5.740 1.00 0.00 N ATOM 372 CA GLU A 104 4.489 -0.042 6.196 1.00 0.00 C ATOM 373 C GLU A 104 4.229 -1.281 5.355 1.00 0.00 C ATOM 374 O GLU A 104 3.853 -2.331 5.871 1.00 0.00 O ATOM 375 CB GLU A 104 3.321 0.929 6.070 1.00 0.00 C ATOM 376 CG GLU A 104 3.461 2.035 7.113 1.00 0.00 C ATOM 377 CD GLU A 104 2.304 3.016 6.985 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.532 2.877 6.051 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.197 3.881 7.832 1.00 0.00 O ATOM 0 H GLU A 104 5.536 1.540 5.338 1.00 0.00 H new ATOM 0 HA GLU A 104 4.604 -0.346 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.299 1.360 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.378 0.400 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.475 1.604 8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.408 2.557 6.978 1.00 0.00 H new ATOM 386 N LEU A 105 4.441 -1.146 4.054 1.00 0.00 N ATOM 387 CA LEU A 105 4.234 -2.253 3.135 1.00 0.00 C ATOM 388 C LEU A 105 5.186 -3.398 3.477 1.00 0.00 C ATOM 389 O LEU A 105 4.819 -4.571 3.406 1.00 0.00 O ATOM 390 CB LEU A 105 4.465 -1.772 1.693 1.00 0.00 C ATOM 391 CG LEU A 105 3.765 -2.711 0.672 1.00 0.00 C ATOM 392 CD1 LEU A 105 3.305 -1.910 -0.552 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.739 -3.804 0.214 1.00 0.00 C ATOM 0 H LEU A 105 4.756 -0.282 3.613 1.00 0.00 H new ATOM 0 HA LEU A 105 3.210 -2.616 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.084 -0.757 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.534 -1.736 1.485 1.00 0.00 H new ATOM 0 HG LEU A 105 2.901 -3.167 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.816 -2.578 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.603 -1.137 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.168 -1.445 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.241 -4.458 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.607 -3.343 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.062 -4.388 1.076 1.00 0.00 H new ATOM 405 N ARG A 106 6.402 -3.037 3.870 1.00 0.00 N ATOM 406 CA ARG A 106 7.397 -4.033 4.252 1.00 0.00 C ATOM 407 C ARG A 106 6.972 -4.722 5.544 1.00 0.00 C ATOM 408 O ARG A 106 7.080 -5.941 5.677 1.00 0.00 O ATOM 409 CB ARG A 106 8.766 -3.370 4.447 1.00 0.00 C ATOM 410 CG ARG A 106 9.815 -4.439 4.775 1.00 0.00 C ATOM 411 CD ARG A 106 11.188 -3.782 4.923 1.00 0.00 C ATOM 412 NE ARG A 106 12.219 -4.801 5.086 1.00 0.00 N ATOM 413 CZ ARG A 106 13.487 -4.470 5.307 1.00 0.00 C ATOM 414 NH1 ARG A 106 13.779 -3.565 6.200 1.00 0.00 N ATOM 415 NH2 ARG A 106 14.440 -5.050 4.630 1.00 0.00 N ATOM 0 H ARG A 106 6.721 -2.070 3.932 1.00 0.00 H new ATOM 0 HA ARG A 106 7.473 -4.774 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.052 -2.831 3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.715 -2.637 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.547 -4.956 5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.843 -5.190 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.404 -3.173 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.188 -3.113 5.784 1.00 0.00 H new ATOM 0 HE ARG A 106 11.962 -5.786 5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.034 -3.111 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.752 -3.311 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.212 -5.757 3.931 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.413 -4.796 4.799 1.00 0.00 H new ATOM 429 N HIS A 107 6.492 -3.925 6.493 1.00 0.00 N ATOM 430 CA HIS A 107 6.054 -4.449 7.783 1.00 0.00 C ATOM 431 C HIS A 107 4.820 -5.338 7.628 1.00 0.00 C ATOM 432 O HIS A 107 4.741 -6.413 8.224 1.00 0.00 O ATOM 433 CB HIS A 107 5.737 -3.282 8.726 1.00 0.00 C ATOM 434 CG HIS A 107 7.021 -2.675 9.227 1.00 0.00 C ATOM 435 ND1 HIS A 107 7.618 -1.586 8.612 1.00 0.00 N ATOM 436 CD2 HIS A 107 7.836 -3.003 10.281 1.00 0.00 C ATOM 437 CE1 HIS A 107 8.742 -1.301 9.294 1.00 0.00 C ATOM 438 NE2 HIS A 107 8.922 -2.133 10.322 1.00 0.00 N ATOM 0 H HIS A 107 6.396 -2.914 6.394 1.00 0.00 H new ATOM 0 HA HIS A 107 6.858 -5.055 8.200 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.146 -2.529 8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.137 -3.632 9.566 1.00 0.00 H new ATOM 0 HD1 HIS A 107 7.269 -1.091 7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.661 -3.813 10.974 1.00 0.00 H new ATOM 0 HE1 HIS A 107 9.417 -0.497 9.040 1.00 0.00 H new ATOM 446 N VAL A 108 3.865 -4.886 6.825 1.00 0.00 N ATOM 447 CA VAL A 108 2.641 -5.649 6.598 1.00 0.00 C ATOM 448 C VAL A 108 2.967 -6.973 5.909 1.00 0.00 C ATOM 449 O VAL A 108 2.446 -8.025 6.280 1.00 0.00 O ATOM 450 CB VAL A 108 1.672 -4.819 5.749 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.455 -5.663 5.361 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.208 -3.599 6.554 1.00 0.00 C ATOM 0 H VAL A 108 3.912 -4.000 6.322 1.00 0.00 H new ATOM 0 HA VAL A 108 2.169 -5.871 7.555 1.00 0.00 H new ATOM 0 HB VAL A 108 2.183 -4.493 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.227 -5.063 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.782 -6.529 4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.058 -5.998 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.519 -3.007 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.704 -3.932 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.071 -2.990 6.821 1.00 0.00 H new ATOM 462 N MET A 109 3.848 -6.911 4.915 1.00 0.00 N ATOM 463 CA MET A 109 4.266 -8.105 4.183 1.00 0.00 C ATOM 464 C MET A 109 5.084 -9.014 5.108 1.00 0.00 C ATOM 465 O MET A 109 5.081 -10.234 4.967 1.00 0.00 O ATOM 466 CB MET A 109 5.104 -7.699 2.965 1.00 0.00 C ATOM 467 CG MET A 109 4.185 -7.147 1.867 1.00 0.00 C ATOM 468 SD MET A 109 3.164 -8.477 1.183 1.00 0.00 S ATOM 469 CE MET A 109 3.015 -7.807 -0.492 1.00 0.00 C ATOM 0 H MET A 109 4.287 -6.047 4.597 1.00 0.00 H new ATOM 0 HA MET A 109 3.385 -8.647 3.839 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.838 -6.946 3.251 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.659 -8.559 2.590 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.548 -6.362 2.276 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.782 -6.693 1.076 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.412 -8.480 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.537 -6.828 -0.451 1.00 0.00 H new ATOM 0 HE3 MET A 109 4.006 -7.708 -0.934 1.00 0.00 H new ATOM 479 N THR A 110 5.789 -8.403 6.053 1.00 0.00 N ATOM 480 CA THR A 110 6.597 -9.156 7.008 1.00 0.00 C ATOM 481 C THR A 110 5.698 -9.960 7.952 1.00 0.00 C ATOM 482 O THR A 110 5.947 -11.137 8.217 1.00 0.00 O ATOM 483 CB THR A 110 7.475 -8.197 7.812 1.00 0.00 C ATOM 484 OG1 THR A 110 8.362 -7.523 6.931 1.00 0.00 O ATOM 485 CG2 THR A 110 8.283 -8.978 8.850 1.00 0.00 C ATOM 0 H THR A 110 5.818 -7.391 6.179 1.00 0.00 H new ATOM 0 HA THR A 110 7.233 -9.851 6.459 1.00 0.00 H new ATOM 0 HB THR A 110 6.842 -7.472 8.324 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.034 -6.614 6.769 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.907 -8.289 9.419 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.603 -9.495 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.916 -9.707 8.345 1.00 0.00 H new ATOM 493 N ASN A 111 4.639 -9.312 8.436 1.00 0.00 N ATOM 494 CA ASN A 111 3.678 -9.961 9.329 1.00 0.00 C ATOM 495 C ASN A 111 2.985 -11.093 8.580 1.00 0.00 C ATOM 496 O ASN A 111 2.716 -12.164 9.125 1.00 0.00 O ATOM 497 CB ASN A 111 2.631 -8.938 9.780 1.00 0.00 C ATOM 498 CG ASN A 111 1.575 -9.609 10.653 1.00 0.00 C ATOM 499 OD1 ASN A 111 0.469 -9.882 10.189 1.00 0.00 O ATOM 500 ND2 ASN A 111 1.852 -9.888 11.896 1.00 0.00 N ATOM 0 H ASN A 111 4.424 -8.337 8.225 1.00 0.00 H new ATOM 0 HA ASN A 111 4.198 -10.359 10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.114 -8.134 10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.158 -8.484 8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.151 -10.334 12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.770 -9.660 12.277 1.00 0.00 H new ATOM 507 N LEU A 112 2.721 -10.810 7.316 1.00 0.00 N ATOM 508 CA LEU A 112 2.069 -11.736 6.397 1.00 0.00 C ATOM 509 C LEU A 112 2.808 -13.071 6.363 1.00 0.00 C ATOM 510 O LEU A 112 2.219 -14.115 6.081 1.00 0.00 O ATOM 511 CB LEU A 112 2.116 -11.077 5.004 1.00 0.00 C ATOM 512 CG LEU A 112 1.095 -11.657 4.014 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.342 -11.555 4.559 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.205 -10.860 2.705 1.00 0.00 C ATOM 0 H LEU A 112 2.957 -9.914 6.889 1.00 0.00 H new ATOM 0 HA LEU A 112 1.045 -11.936 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.938 -10.007 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.118 -11.193 4.590 1.00 0.00 H new ATOM 0 HG LEU A 112 1.311 -12.713 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.037 -11.975 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.416 -12.109 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.590 -10.509 4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.490 -11.250 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.988 -9.810 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.215 -10.954 2.305 1.00 0.00 H new ATOM 526 N GLY A 113 4.112 -13.020 6.605 1.00 0.00 N ATOM 527 CA GLY A 113 4.942 -14.216 6.549 1.00 0.00 C ATOM 528 C GLY A 113 5.577 -14.274 5.172 1.00 0.00 C ATOM 529 O GLY A 113 6.106 -15.298 4.743 1.00 0.00 O ATOM 0 H GLY A 113 4.616 -12.165 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.709 -14.185 7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.341 -15.107 6.731 1.00 0.00 H new ATOM 533 N GLU A 114 5.541 -13.117 4.512 1.00 0.00 N ATOM 534 CA GLU A 114 6.132 -12.940 3.192 1.00 0.00 C ATOM 535 C GLU A 114 7.349 -12.038 3.352 1.00 0.00 C ATOM 536 O GLU A 114 7.295 -11.058 4.096 1.00 0.00 O ATOM 537 CB GLU A 114 5.128 -12.283 2.249 1.00 0.00 C ATOM 538 CG GLU A 114 3.926 -13.207 2.063 1.00 0.00 C ATOM 539 CD GLU A 114 4.337 -14.472 1.319 1.00 0.00 C ATOM 540 OE1 GLU A 114 5.368 -14.447 0.668 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.613 -15.450 1.408 1.00 0.00 O ATOM 0 H GLU A 114 5.099 -12.275 4.881 1.00 0.00 H new ATOM 0 HA GLU A 114 6.415 -13.905 2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.804 -11.325 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.596 -12.079 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.507 -13.469 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.144 -12.689 1.508 1.00 0.00 H new ATOM 548 N LYS A 115 8.453 -12.368 2.682 1.00 0.00 N ATOM 549 CA LYS A 115 9.681 -11.567 2.798 1.00 0.00 C ATOM 550 C LYS A 115 10.138 -11.045 1.440 1.00 0.00 C ATOM 551 O LYS A 115 10.744 -11.761 0.647 1.00 0.00 O ATOM 552 CB LYS A 115 10.791 -12.410 3.440 1.00 0.00 C ATOM 553 CG LYS A 115 10.815 -13.811 2.824 1.00 0.00 C ATOM 554 CD LYS A 115 11.934 -14.627 3.474 1.00 0.00 C ATOM 555 CE LYS A 115 12.050 -15.984 2.781 1.00 0.00 C ATOM 556 NZ LYS A 115 10.768 -16.730 2.926 1.00 0.00 N ATOM 0 H LYS A 115 8.527 -13.173 2.060 1.00 0.00 H new ATOM 0 HA LYS A 115 9.465 -10.705 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.756 -11.925 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.628 -12.481 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.855 -14.304 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.974 -13.745 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.879 -14.089 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.727 -14.766 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.285 -15.846 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.868 -16.558 3.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.927 -17.737 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.415 -16.627 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.066 -16.347 2.260 1.00 0.00 H new ATOM 570 N LEU A 116 9.848 -9.773 1.187 1.00 0.00 N ATOM 571 CA LEU A 116 10.236 -9.136 -0.069 1.00 0.00 C ATOM 572 C LEU A 116 11.488 -8.297 0.135 1.00 0.00 C ATOM 573 O LEU A 116 11.725 -7.771 1.221 1.00 0.00 O ATOM 574 CB LEU A 116 9.124 -8.222 -0.576 1.00 0.00 C ATOM 575 CG LEU A 116 7.909 -9.046 -1.008 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.300 -9.779 0.201 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.873 -8.099 -1.621 1.00 0.00 C ATOM 0 H LEU A 116 9.347 -9.163 1.833 1.00 0.00 H new ATOM 0 HA LEU A 116 10.425 -9.924 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.836 -7.521 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.487 -7.630 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 116 8.214 -9.793 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.437 -10.360 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.045 -10.446 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.987 -9.050 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.999 -8.670 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.575 -7.357 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.307 -7.595 -2.485 1.00 0.00 H new ATOM 589 N THR A 117 12.271 -8.159 -0.925 1.00 0.00 N ATOM 590 CA THR A 117 13.484 -7.360 -0.865 1.00 0.00 C ATOM 591 C THR A 117 13.137 -5.890 -1.010 1.00 0.00 C ATOM 592 O THR A 117 12.000 -5.539 -1.321 1.00 0.00 O ATOM 593 CB THR A 117 14.439 -7.769 -1.984 1.00 0.00 C ATOM 594 OG1 THR A 117 13.992 -7.204 -3.208 1.00 0.00 O ATOM 595 CG2 THR A 117 14.470 -9.289 -2.103 1.00 0.00 C ATOM 0 H THR A 117 12.089 -8.588 -1.832 1.00 0.00 H new ATOM 0 HA THR A 117 13.968 -7.527 0.097 1.00 0.00 H new ATOM 0 HB THR A 117 15.442 -7.408 -1.758 1.00 0.00 H new ATOM 0 HG1 THR A 117 14.603 -7.462 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.152 -9.578 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.810 -9.721 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.469 -9.657 -2.330 1.00 0.00 H new ATOM 603 N ASP A 118 14.116 -5.035 -0.789 1.00 0.00 N ATOM 604 CA ASP A 118 13.900 -3.608 -0.906 1.00 0.00 C ATOM 605 C ASP A 118 13.540 -3.258 -2.347 1.00 0.00 C ATOM 606 O ASP A 118 12.715 -2.379 -2.597 1.00 0.00 O ATOM 607 CB ASP A 118 15.181 -2.885 -0.483 1.00 0.00 C ATOM 608 CG ASP A 118 15.219 -2.709 1.034 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.190 -2.370 1.597 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.273 -2.919 1.610 1.00 0.00 O ATOM 0 H ASP A 118 15.065 -5.303 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 118 13.077 -3.297 -0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 118 16.052 -3.453 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.234 -1.911 -0.970 1.00 0.00 H new ATOM 615 N GLU A 119 14.190 -3.933 -3.290 1.00 0.00 N ATOM 616 CA GLU A 119 13.964 -3.682 -4.705 1.00 0.00 C ATOM 617 C GLU A 119 12.559 -4.091 -5.147 1.00 0.00 C ATOM 618 O GLU A 119 11.898 -3.349 -5.872 1.00 0.00 O ATOM 619 CB GLU A 119 14.996 -4.456 -5.518 1.00 0.00 C ATOM 620 CG GLU A 119 14.872 -4.078 -6.996 1.00 0.00 C ATOM 621 CD GLU A 119 15.947 -4.789 -7.806 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.597 -5.661 -7.254 1.00 0.00 O ATOM 623 OE2 GLU A 119 16.106 -4.450 -8.967 1.00 0.00 O ATOM 0 H GLU A 119 14.879 -4.660 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 119 14.062 -2.610 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 119 16.000 -4.232 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.844 -5.528 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.884 -4.351 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.970 -2.999 -7.114 1.00 0.00 H new ATOM 630 N GLU A 120 12.086 -5.254 -4.698 1.00 0.00 N ATOM 631 CA GLU A 120 10.743 -5.684 -5.065 1.00 0.00 C ATOM 632 C GLU A 120 9.749 -4.696 -4.490 1.00 0.00 C ATOM 633 O GLU A 120 8.799 -4.275 -5.150 1.00 0.00 O ATOM 634 CB GLU A 120 10.445 -7.079 -4.517 1.00 0.00 C ATOM 635 CG GLU A 120 11.231 -8.119 -5.309 1.00 0.00 C ATOM 636 CD GLU A 120 10.681 -8.229 -6.729 1.00 0.00 C ATOM 637 OE1 GLU A 120 9.538 -7.852 -6.931 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.409 -8.693 -7.590 1.00 0.00 O ATOM 0 H GLU A 120 12.599 -5.898 -4.096 1.00 0.00 H new ATOM 0 HA GLU A 120 10.666 -5.722 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.714 -7.131 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.377 -7.287 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 120 12.285 -7.842 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.170 -9.087 -4.812 1.00 0.00 H new ATOM 645 N VAL A 121 9.999 -4.331 -3.242 1.00 0.00 N ATOM 646 CA VAL A 121 9.160 -3.385 -2.535 1.00 0.00 C ATOM 647 C VAL A 121 9.201 -2.022 -3.225 1.00 0.00 C ATOM 648 O VAL A 121 8.163 -1.399 -3.451 1.00 0.00 O ATOM 649 CB VAL A 121 9.670 -3.270 -1.094 1.00 0.00 C ATOM 650 CG1 VAL A 121 9.026 -2.075 -0.388 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.326 -4.554 -0.339 1.00 0.00 C ATOM 0 H VAL A 121 10.786 -4.682 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 121 8.126 -3.731 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 121 10.750 -3.122 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.401 -2.011 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.274 -1.159 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.944 -2.203 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.686 -4.480 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.245 -4.696 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.802 -5.403 -0.830 1.00 0.00 H new ATOM 661 N ASP A 122 10.406 -1.568 -3.553 1.00 0.00 N ATOM 662 CA ASP A 122 10.577 -0.280 -4.217 1.00 0.00 C ATOM 663 C ASP A 122 9.969 -0.292 -5.620 1.00 0.00 C ATOM 664 O ASP A 122 9.221 0.614 -5.985 1.00 0.00 O ATOM 665 CB ASP A 122 12.067 0.056 -4.306 1.00 0.00 C ATOM 666 CG ASP A 122 12.603 0.431 -2.928 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.797 0.673 -2.043 1.00 0.00 O ATOM 668 OD2 ASP A 122 13.813 0.472 -2.775 1.00 0.00 O ATOM 0 H ASP A 122 11.275 -2.070 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 122 10.059 0.478 -3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.618 -0.799 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.221 0.881 -5.001 1.00 0.00 H new ATOM 673 N GLU A 123 10.304 -1.314 -6.408 1.00 0.00 N ATOM 674 CA GLU A 123 9.792 -1.414 -7.773 1.00 0.00 C ATOM 675 C GLU A 123 8.269 -1.432 -7.780 1.00 0.00 C ATOM 676 O GLU A 123 7.636 -0.764 -8.598 1.00 0.00 O ATOM 677 CB GLU A 123 10.327 -2.686 -8.439 1.00 0.00 C ATOM 678 CG GLU A 123 11.810 -2.508 -8.778 1.00 0.00 C ATOM 679 CD GLU A 123 12.362 -3.795 -9.385 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.590 -4.723 -9.558 1.00 0.00 O ATOM 681 OE2 GLU A 123 13.548 -3.831 -9.669 1.00 0.00 O ATOM 0 H GLU A 123 10.921 -2.076 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 123 10.131 -0.541 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.196 -3.539 -7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.760 -2.899 -9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 123 11.935 -1.682 -9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 123 12.369 -2.251 -7.879 1.00 0.00 H new ATOM 688 N MET A 124 7.691 -2.181 -6.857 1.00 0.00 N ATOM 689 CA MET A 124 6.242 -2.262 -6.751 1.00 0.00 C ATOM 690 C MET A 124 5.670 -0.902 -6.370 1.00 0.00 C ATOM 691 O MET A 124 4.659 -0.454 -6.912 1.00 0.00 O ATOM 692 CB MET A 124 5.879 -3.302 -5.688 1.00 0.00 C ATOM 693 CG MET A 124 4.366 -3.321 -5.454 1.00 0.00 C ATOM 694 SD MET A 124 3.875 -4.964 -4.868 1.00 0.00 S ATOM 695 CE MET A 124 4.032 -4.648 -3.093 1.00 0.00 C ATOM 0 H MET A 124 8.199 -2.740 -6.172 1.00 0.00 H new ATOM 0 HA MET A 124 5.820 -2.558 -7.711 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.217 -4.289 -6.005 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.395 -3.073 -4.755 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.090 -2.563 -4.721 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.840 -3.079 -6.377 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.453 -5.526 -2.603 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.689 -3.793 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.049 -4.435 -2.673 1.00 0.00 H new ATOM 705 N ILE A 125 6.346 -0.259 -5.433 1.00 0.00 N ATOM 706 CA ILE A 125 5.952 1.059 -4.952 1.00 0.00 C ATOM 707 C ILE A 125 6.167 2.132 -6.027 1.00 0.00 C ATOM 708 O ILE A 125 5.300 2.977 -6.253 1.00 0.00 O ATOM 709 CB ILE A 125 6.753 1.361 -3.666 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.098 0.629 -2.470 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.833 2.865 -3.387 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.914 1.437 -1.906 1.00 0.00 C ATOM 0 H ILE A 125 7.182 -0.633 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 125 4.886 1.070 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 125 7.772 1.002 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.753 -0.355 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.839 0.470 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.404 3.036 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.325 3.364 -4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.827 3.267 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.473 0.899 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.267 2.411 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.163 1.574 -2.684 1.00 0.00 H new ATOM 724 N ARG A 126 7.314 2.088 -6.695 1.00 0.00 N ATOM 725 CA ARG A 126 7.602 3.059 -7.746 1.00 0.00 C ATOM 726 C ARG A 126 6.607 2.897 -8.890 1.00 0.00 C ATOM 727 O ARG A 126 6.233 3.864 -9.554 1.00 0.00 O ATOM 728 CB ARG A 126 9.026 2.875 -8.282 1.00 0.00 C ATOM 729 CG ARG A 126 9.420 4.090 -9.148 1.00 0.00 C ATOM 730 CD ARG A 126 10.023 5.188 -8.264 1.00 0.00 C ATOM 731 NE ARG A 126 10.335 6.362 -9.063 1.00 0.00 N ATOM 732 CZ ARG A 126 10.735 7.490 -8.493 1.00 0.00 C ATOM 733 NH1 ARG A 126 11.767 7.484 -7.694 1.00 0.00 N ATOM 734 NH2 ARG A 126 10.094 8.601 -8.726 1.00 0.00 N ATOM 0 H ARG A 126 8.051 1.401 -6.532 1.00 0.00 H new ATOM 0 HA ARG A 126 7.513 4.058 -7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.725 2.766 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.087 1.961 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.140 3.787 -9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.544 4.473 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.322 5.454 -7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.927 4.819 -7.779 1.00 0.00 H new ATOM 0 HE ARG A 126 10.245 6.317 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.264 6.613 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.077 8.351 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.285 8.602 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.402 9.469 -8.287 1.00 0.00 H new ATOM 748 N GLU A 127 6.185 1.657 -9.100 1.00 0.00 N ATOM 749 CA GLU A 127 5.228 1.341 -10.151 1.00 0.00 C ATOM 750 C GLU A 127 3.830 1.838 -9.768 1.00 0.00 C ATOM 751 O GLU A 127 3.090 2.352 -10.606 1.00 0.00 O ATOM 752 CB GLU A 127 5.208 -0.173 -10.377 1.00 0.00 C ATOM 753 CG GLU A 127 4.384 -0.507 -11.620 1.00 0.00 C ATOM 754 CD GLU A 127 5.131 -0.064 -12.872 1.00 0.00 C ATOM 755 OE1 GLU A 127 6.272 0.351 -12.742 1.00 0.00 O ATOM 756 OE2 GLU A 127 4.556 -0.150 -13.944 1.00 0.00 O ATOM 0 H GLU A 127 6.492 0.852 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 127 5.528 1.841 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.226 -0.544 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.785 -0.673 -9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.191 -1.579 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.415 -0.010 -11.569 1.00 0.00 H new ATOM 763 N ALA A 128 3.488 1.686 -8.490 1.00 0.00 N ATOM 764 CA ALA A 128 2.184 2.132 -7.997 1.00 0.00 C ATOM 765 C ALA A 128 2.177 3.649 -7.828 1.00 0.00 C ATOM 766 O ALA A 128 1.115 4.266 -7.758 1.00 0.00 O ATOM 767 CB ALA A 128 1.848 1.462 -6.660 1.00 0.00 C ATOM 0 H ALA A 128 4.088 1.262 -7.782 1.00 0.00 H new ATOM 0 HA ALA A 128 1.428 1.847 -8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.875 1.809 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.822 0.380 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.608 1.720 -5.923 1.00 0.00 H new ATOM 773 N ASP A 129 3.370 4.245 -7.772 1.00 0.00 N ATOM 774 CA ASP A 129 3.493 5.694 -7.619 1.00 0.00 C ATOM 775 C ASP A 129 3.704 6.344 -8.975 1.00 0.00 C ATOM 776 O ASP A 129 4.684 6.065 -9.669 1.00 0.00 O ATOM 777 CB ASP A 129 4.669 6.036 -6.701 1.00 0.00 C ATOM 778 CG ASP A 129 4.594 7.501 -6.279 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.569 8.120 -6.519 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.565 7.985 -5.718 1.00 0.00 O ATOM 0 H ASP A 129 4.259 3.749 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 129 2.573 6.073 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.652 5.394 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.610 5.845 -7.216 1.00 0.00 H new ATOM 785 N VAL A 130 2.753 7.210 -9.331 1.00 0.00 N ATOM 786 CA VAL A 130 2.774 7.932 -10.597 1.00 0.00 C ATOM 787 C VAL A 130 3.007 9.423 -10.336 1.00 0.00 C ATOM 788 O VAL A 130 3.476 10.155 -11.211 1.00 0.00 O ATOM 789 CB VAL A 130 1.372 7.994 -11.311 1.00 0.00 C ATOM 790 CG1 VAL A 130 1.545 8.733 -12.657 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.554 6.668 -11.543 1.00 0.00 C ATOM 0 H VAL A 130 1.947 7.428 -8.746 1.00 0.00 H new ATOM 0 HA VAL A 130 3.530 7.412 -11.185 1.00 0.00 H new ATOM 0 HB VAL A 130 0.749 8.513 -10.583 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.584 8.787 -13.169 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.916 9.742 -12.473 1.00 0.00 H new ATOM 0 HG13 VAL A 130 2.258 8.192 -13.280 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.384 6.902 -12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 130 1.137 5.984 -12.161 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.342 6.198 -10.582 1.00 0.00 H new ATOM 801 N ASP A 131 2.626 9.869 -9.140 1.00 0.00 N ATOM 802 CA ASP A 131 2.735 11.274 -8.782 1.00 0.00 C ATOM 803 C ASP A 131 4.077 11.473 -8.151 1.00 0.00 C ATOM 804 O ASP A 131 4.497 12.593 -7.848 1.00 0.00 O ATOM 805 CB ASP A 131 1.629 11.653 -7.779 1.00 0.00 C ATOM 806 CG ASP A 131 0.257 11.245 -8.310 1.00 0.00 C ATOM 807 OD1 ASP A 131 -0.093 11.684 -9.393 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.422 10.499 -7.622 1.00 0.00 O ATOM 0 H ASP A 131 2.240 9.275 -8.406 1.00 0.00 H new ATOM 0 HA ASP A 131 2.624 11.902 -9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.815 11.164 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.649 12.727 -7.596 1.00 0.00 H new ATOM 813 N GLY A 132 4.743 10.342 -7.972 1.00 0.00 N ATOM 814 CA GLY A 132 6.062 10.328 -7.384 1.00 0.00 C ATOM 815 C GLY A 132 6.026 10.729 -5.906 1.00 0.00 C ATOM 816 O GLY A 132 7.067 10.902 -5.273 1.00 0.00 O ATOM 0 H GLY A 132 4.385 9.422 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.493 9.332 -7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.712 11.011 -7.931 1.00 0.00 H new ATOM 820 N ASP A 133 4.819 10.888 -5.374 1.00 0.00 N ATOM 821 CA ASP A 133 4.654 11.285 -3.973 1.00 0.00 C ATOM 822 C ASP A 133 5.478 10.378 -3.061 1.00 0.00 C ATOM 823 O ASP A 133 5.944 10.801 -2.004 1.00 0.00 O ATOM 824 CB ASP A 133 3.183 11.207 -3.564 1.00 0.00 C ATOM 825 CG ASP A 133 2.373 12.247 -4.328 1.00 0.00 C ATOM 826 OD1 ASP A 133 2.946 13.258 -4.703 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.193 12.015 -4.533 1.00 0.00 O ATOM 0 H ASP A 133 3.946 10.751 -5.883 1.00 0.00 H new ATOM 0 HA ASP A 133 5.002 12.313 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.793 10.210 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.086 11.375 -2.491 1.00 0.00 H new ATOM 832 N GLY A 134 5.658 9.130 -3.484 1.00 0.00 N ATOM 833 CA GLY A 134 6.433 8.161 -2.706 1.00 0.00 C ATOM 834 C GLY A 134 5.526 7.362 -1.782 1.00 0.00 C ATOM 835 O GLY A 134 5.985 6.509 -1.023 1.00 0.00 O ATOM 0 H GLY A 134 5.280 8.764 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.960 7.485 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.190 8.681 -2.119 1.00 0.00 H new ATOM 839 N GLN A 135 4.231 7.632 -1.872 1.00 0.00 N ATOM 840 CA GLN A 135 3.237 6.934 -1.066 1.00 0.00 C ATOM 841 C GLN A 135 2.036 6.599 -1.925 1.00 0.00 C ATOM 842 O GLN A 135 1.759 7.277 -2.917 1.00 0.00 O ATOM 843 CB GLN A 135 2.780 7.796 0.109 1.00 0.00 C ATOM 844 CG GLN A 135 3.873 7.856 1.170 1.00 0.00 C ATOM 845 CD GLN A 135 3.477 8.820 2.282 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.287 10.010 2.036 1.00 0.00 O ATOM 847 NE2 GLN A 135 3.345 8.371 3.501 1.00 0.00 N ATOM 0 H GLN A 135 3.841 8.335 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 135 3.692 6.023 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.543 8.802 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 135 1.867 7.384 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.042 6.862 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 135 4.811 8.177 0.718 1.00 0.00 H new ATOM 0 HE21 GLN A 135 3.503 7.383 3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.083 9.008 4.254 1.00 0.00 H new ATOM 856 N ILE A 136 1.317 5.554 -1.540 1.00 0.00 N ATOM 857 CA ILE A 136 0.136 5.149 -2.287 1.00 0.00 C ATOM 858 C ILE A 136 -1.081 5.709 -1.582 1.00 0.00 C ATOM 859 O ILE A 136 -1.396 5.316 -0.457 1.00 0.00 O ATOM 860 CB ILE A 136 0.055 3.613 -2.360 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.442 3.037 -2.674 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.925 3.168 -3.452 1.00 0.00 C ATOM 863 CD1 ILE A 136 2.030 3.729 -3.911 1.00 0.00 C ATOM 0 H ILE A 136 1.527 4.978 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 136 0.185 5.531 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 136 -0.297 3.245 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 136 2.105 3.176 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 136 1.368 1.964 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.964 2.079 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.918 3.561 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.590 3.547 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 136 3.015 3.314 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.373 3.567 -4.765 1.00 0.00 H new ATOM 0 HD13 ILE A 136 2.121 4.798 -3.721 1.00 0.00 H new ATOM 875 N ASN A 137 -1.775 6.616 -2.257 1.00 0.00 N ATOM 876 CA ASN A 137 -2.974 7.206 -1.697 1.00 0.00 C ATOM 877 C ASN A 137 -4.107 6.237 -1.971 1.00 0.00 C ATOM 878 O ASN A 137 -3.963 5.344 -2.804 1.00 0.00 O ATOM 879 CB ASN A 137 -3.244 8.588 -2.333 1.00 0.00 C ATOM 880 CG ASN A 137 -2.646 8.651 -3.737 1.00 0.00 C ATOM 881 OD1 ASN A 137 -3.370 8.796 -4.717 1.00 0.00 O ATOM 882 ND2 ASN A 137 -1.355 8.559 -3.892 1.00 0.00 N ATOM 0 H ASN A 137 -1.527 6.955 -3.187 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.870 7.373 -0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.317 8.771 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.813 9.373 -1.711 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.949 8.608 -4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.751 8.438 -3.079 1.00 0.00 H new ATOM 889 N TYR A 138 -5.210 6.365 -1.263 1.00 0.00 N ATOM 890 CA TYR A 138 -6.298 5.425 -1.466 1.00 0.00 C ATOM 891 C TYR A 138 -6.652 5.312 -2.949 1.00 0.00 C ATOM 892 O TYR A 138 -6.802 4.207 -3.470 1.00 0.00 O ATOM 893 CB TYR A 138 -7.529 5.854 -0.674 1.00 0.00 C ATOM 894 CG TYR A 138 -8.647 4.894 -0.991 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.537 3.559 -0.591 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.773 5.325 -1.701 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.550 2.653 -0.899 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.792 4.418 -2.006 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.681 3.081 -1.606 1.00 0.00 C ATOM 900 OH TYR A 138 -11.684 2.184 -1.914 1.00 0.00 O ATOM 0 H TYR A 138 -5.378 7.087 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.968 4.449 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.315 5.849 0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.815 6.872 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.667 3.230 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -9.855 6.356 -2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.463 1.621 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.665 4.749 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.228 2.541 -2.647 1.00 0.00 H new ATOM 910 N GLU A 139 -6.786 6.444 -3.625 1.00 0.00 N ATOM 911 CA GLU A 139 -7.132 6.432 -5.044 1.00 0.00 C ATOM 912 C GLU A 139 -6.070 5.696 -5.860 1.00 0.00 C ATOM 913 O GLU A 139 -6.395 4.891 -6.734 1.00 0.00 O ATOM 914 CB GLU A 139 -7.279 7.867 -5.552 1.00 0.00 C ATOM 915 CG GLU A 139 -5.968 8.619 -5.332 1.00 0.00 C ATOM 916 CD GLU A 139 -6.168 10.111 -5.564 1.00 0.00 C ATOM 917 OE1 GLU A 139 -6.922 10.456 -6.458 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.557 10.887 -4.849 1.00 0.00 O ATOM 0 H GLU A 139 -6.663 7.373 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.079 5.905 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.537 7.865 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.092 8.369 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.608 8.447 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.204 8.238 -6.010 1.00 0.00 H new ATOM 925 N GLU A 140 -4.802 5.979 -5.584 1.00 0.00 N ATOM 926 CA GLU A 140 -3.714 5.337 -6.312 1.00 0.00 C ATOM 927 C GLU A 140 -3.714 3.843 -6.025 1.00 0.00 C ATOM 928 O GLU A 140 -3.560 3.020 -6.928 1.00 0.00 O ATOM 929 CB GLU A 140 -2.387 5.954 -5.883 1.00 0.00 C ATOM 930 CG GLU A 140 -1.261 5.449 -6.781 1.00 0.00 C ATOM 931 CD GLU A 140 -0.002 6.271 -6.529 1.00 0.00 C ATOM 932 OE1 GLU A 140 0.659 6.023 -5.535 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.281 7.140 -7.336 1.00 0.00 O ATOM 0 H GLU A 140 -4.504 6.642 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 140 -3.851 5.488 -7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.447 7.041 -5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.177 5.699 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.066 4.395 -6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.554 5.525 -7.828 1.00 0.00 H new ATOM 940 N PHE A 141 -3.924 3.507 -4.760 1.00 0.00 N ATOM 941 CA PHE A 141 -3.988 2.116 -4.342 1.00 0.00 C ATOM 942 C PHE A 141 -5.123 1.426 -5.075 1.00 0.00 C ATOM 943 O PHE A 141 -4.991 0.298 -5.552 1.00 0.00 O ATOM 944 CB PHE A 141 -4.230 2.042 -2.834 1.00 0.00 C ATOM 945 CG PHE A 141 -4.536 0.613 -2.437 1.00 0.00 C ATOM 946 CD1 PHE A 141 -3.584 -0.393 -2.645 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.777 0.295 -1.868 1.00 0.00 C ATOM 948 CE1 PHE A 141 -3.873 -1.710 -2.285 1.00 0.00 C ATOM 949 CE2 PHE A 141 -6.061 -1.022 -1.507 1.00 0.00 C ATOM 950 CZ PHE A 141 -5.111 -2.025 -1.716 1.00 0.00 C ATOM 0 H PHE A 141 -4.053 4.181 -4.005 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.046 1.621 -4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.351 2.399 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.059 2.693 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.627 -0.150 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.513 1.069 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -3.140 -2.487 -2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -7.016 -1.267 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 141 -5.333 -3.045 -1.438 1.00 0.00 H new ATOM 960 N VAL A 142 -6.241 2.124 -5.145 1.00 0.00 N ATOM 961 CA VAL A 142 -7.419 1.610 -5.817 1.00 0.00 C ATOM 962 C VAL A 142 -7.085 1.345 -7.279 1.00 0.00 C ATOM 963 O VAL A 142 -7.466 0.318 -7.839 1.00 0.00 O ATOM 964 CB VAL A 142 -8.561 2.631 -5.684 1.00 0.00 C ATOM 965 CG1 VAL A 142 -9.747 2.219 -6.566 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.015 2.730 -4.203 1.00 0.00 C ATOM 0 H VAL A 142 -6.358 3.054 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 142 -7.740 0.673 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.199 3.605 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.549 2.950 -6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.428 2.175 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.108 1.239 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -9.824 3.455 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.365 1.755 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.175 3.049 -3.586 1.00 0.00 H new ATOM 976 N LYS A 143 -6.365 2.282 -7.885 1.00 0.00 N ATOM 977 CA LYS A 143 -5.970 2.155 -9.284 1.00 0.00 C ATOM 978 C LYS A 143 -5.124 0.899 -9.502 1.00 0.00 C ATOM 979 O LYS A 143 -5.359 0.142 -10.444 1.00 0.00 O ATOM 980 CB LYS A 143 -5.165 3.401 -9.695 1.00 0.00 C ATOM 981 CG LYS A 143 -4.872 3.402 -11.219 1.00 0.00 C ATOM 982 CD LYS A 143 -3.462 2.852 -11.502 1.00 0.00 C ATOM 983 CE LYS A 143 -3.205 2.842 -13.012 1.00 0.00 C ATOM 984 NZ LYS A 143 -1.834 2.317 -13.274 1.00 0.00 N ATOM 0 H LYS A 143 -6.043 3.137 -7.431 1.00 0.00 H new ATOM 0 HA LYS A 143 -6.868 2.071 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -5.720 4.300 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -4.226 3.430 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -5.615 2.796 -11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -4.958 4.416 -11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -2.714 3.466 -11.000 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -3.367 1.843 -11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -3.947 2.222 -13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -3.305 3.849 -13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -1.655 2.309 -14.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -1.133 2.926 -12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -1.756 1.349 -12.901 1.00 0.00 H new ATOM 998 N VAL A 144 -4.138 0.682 -8.633 1.00 0.00 N ATOM 999 CA VAL A 144 -3.265 -0.483 -8.747 1.00 0.00 C ATOM 1000 C VAL A 144 -4.020 -1.783 -8.466 1.00 0.00 C ATOM 1001 O VAL A 144 -3.846 -2.779 -9.169 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.110 -0.347 -7.750 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.252 -1.614 -7.778 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.255 0.873 -8.114 1.00 0.00 C ATOM 0 H VAL A 144 -3.925 1.295 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 144 -2.887 -0.524 -9.769 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.513 -0.213 -6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.431 -1.514 -7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.864 -2.474 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.849 -1.758 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.434 0.967 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -0.852 0.748 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -1.870 1.772 -8.079 1.00 0.00 H new ATOM 1014 N MET A 145 -4.846 -1.765 -7.427 1.00 0.00 N ATOM 1015 CA MET A 145 -5.612 -2.950 -7.050 1.00 0.00 C ATOM 1016 C MET A 145 -6.753 -3.196 -8.023 1.00 0.00 C ATOM 1017 O MET A 145 -7.014 -4.331 -8.423 1.00 0.00 O ATOM 1018 CB MET A 145 -6.165 -2.781 -5.633 1.00 0.00 C ATOM 1019 CG MET A 145 -6.950 -4.036 -5.207 1.00 0.00 C ATOM 1020 SD MET A 145 -5.892 -5.507 -5.294 1.00 0.00 S ATOM 1021 CE MET A 145 -4.653 -4.976 -4.090 1.00 0.00 C ATOM 0 H MET A 145 -5.003 -0.950 -6.834 1.00 0.00 H new ATOM 0 HA MET A 145 -4.945 -3.812 -7.081 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.346 -2.603 -4.936 1.00 0.00 H new ATOM 0 HB3 MET A 145 -6.815 -1.907 -5.592 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.325 -3.910 -4.191 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.818 -4.166 -5.854 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.133 -5.848 -3.694 1.00 0.00 H new ATOM 0 HE2 MET A 145 -3.935 -4.314 -4.574 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.143 -4.445 -3.274 1.00 0.00 H new ATOM 1031 N MET A 146 -7.431 -2.123 -8.393 1.00 0.00 N ATOM 1032 CA MET A 146 -8.556 -2.226 -9.317 1.00 0.00 C ATOM 1033 C MET A 146 -8.079 -2.735 -10.679 1.00 0.00 C ATOM 1034 O MET A 146 -8.757 -3.535 -11.324 1.00 0.00 O ATOM 1035 CB MET A 146 -9.238 -0.861 -9.481 1.00 0.00 C ATOM 1036 CG MET A 146 -10.458 -1.003 -10.396 1.00 0.00 C ATOM 1037 SD MET A 146 -11.288 0.602 -10.548 1.00 0.00 S ATOM 1038 CE MET A 146 -11.712 0.481 -12.305 1.00 0.00 C ATOM 0 H MET A 146 -7.227 -1.176 -8.073 1.00 0.00 H new ATOM 0 HA MET A 146 -9.276 -2.934 -8.907 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.543 -0.476 -8.508 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.537 -0.141 -9.902 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.150 -1.360 -11.379 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.147 -1.744 -9.990 1.00 0.00 H new ATOM 0 HE1 MET A 146 -12.240 1.383 -12.615 1.00 0.00 H new ATOM 0 HE2 MET A 146 -10.800 0.374 -12.893 1.00 0.00 H new ATOM 0 HE3 MET A 146 -12.351 -0.387 -12.466 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.911 -2.267 -11.108 1.00 0.00 N ATOM 1049 CA ALA A 147 -6.350 -2.680 -12.391 1.00 0.00 C ATOM 1050 C ALA A 147 -5.784 -4.096 -12.294 1.00 0.00 C ATOM 1051 O ALA A 147 -6.194 -4.880 -11.437 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.243 -1.711 -12.814 1.00 0.00 C ATOM 0 H ALA A 147 -6.336 -1.604 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 147 -7.145 -2.668 -13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.830 -2.026 -13.772 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.656 -0.707 -12.910 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.454 -1.709 -12.062 1.00 0.00 H new ATOM 1058 N LYS A 148 -4.838 -4.415 -13.170 1.00 0.00 N ATOM 1059 CA LYS A 148 -4.220 -5.739 -13.169 1.00 0.00 C ATOM 1060 C LYS A 148 -5.280 -6.827 -13.039 1.00 0.00 C ATOM 1061 O LYS A 148 -5.743 -7.300 -14.064 1.00 0.00 O ATOM 1062 CB LYS A 148 -3.235 -5.845 -12.003 1.00 0.00 C ATOM 1063 CG LYS A 148 -2.241 -4.680 -12.058 1.00 0.00 C ATOM 1064 CD LYS A 148 -1.345 -4.807 -13.296 1.00 0.00 C ATOM 1065 CE LYS A 148 -0.103 -3.930 -13.122 1.00 0.00 C ATOM 1066 NZ LYS A 148 0.840 -4.595 -12.182 1.00 0.00 N ATOM 1067 OXT LYS A 148 -5.612 -7.173 -11.917 1.00 0.00 O ATOM 0 H LYS A 148 -4.483 -3.781 -13.886 1.00 0.00 H new ATOM 0 HA LYS A 148 -3.691 -5.876 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -3.775 -5.831 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.701 -6.794 -12.051 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -2.780 -3.733 -12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -1.629 -4.672 -11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -1.051 -5.847 -13.440 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -1.894 -4.505 -14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 148 0.380 -3.768 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.386 -2.950 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 1.795 -4.203 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 0.529 -4.430 -11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 0.856 -5.617 -12.372 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.559 5.929 6.389 1.00 0.00 CA HETATM 1083 CA CA A 234 1.009 9.105 -5.257 1.00 0.00 CA