USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 836 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 15 SER OG : rot -84:sc= -3.32! USER MOD Set 1.2: A 19 GLN : amide:sc= -9.16 K(o=-12,f=-15!) USER MOD Single : A 1 MET CE :methyl -130:sc= -0.2 (180deg=-0.584) USER MOD Single : A 1 MET N :NH3+ -122:sc= 1.39 (180deg=-0.000514) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.57) USER MOD Single : A 14 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.98) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -1.1 (180deg=-3.98!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0032 USER MOD Single : A 37 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.175) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -144:sc= -0.829 (180deg=-2.85!) USER MOD Single : A 54 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0644) USER MOD Single : A 64 LYS NZ :NH3+ 131:sc= 0.234 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= 1.31 (180deg=0.0898) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.4) USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -0.261 (180deg=-1.37!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -152:sc= 1.15 USER MOD Single : A 99 THR OG1 : rot -54:sc= 0.633 USER MOD Single : A 103 MET CE :methyl -117:sc= -0.182 (180deg=-0.806) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.485 13.629 7.557 1.00 0.00 N ATOM 2 CA MET A 1 -1.384 13.287 6.421 1.00 0.00 C ATOM 3 C MET A 1 -2.546 12.424 6.932 1.00 0.00 C ATOM 4 O MET A 1 -2.845 12.415 8.112 1.00 0.00 O ATOM 5 CB MET A 1 -0.580 12.547 5.338 1.00 0.00 C ATOM 6 CG MET A 1 -0.095 11.179 5.840 1.00 0.00 C ATOM 7 SD MET A 1 1.409 11.390 6.825 1.00 0.00 S ATOM 8 CE MET A 1 1.220 9.904 7.839 1.00 0.00 C ATOM 0 H1 MET A 1 -0.415 14.663 7.645 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.871 13.232 8.437 1.00 0.00 H new ATOM 0 H3 MET A 1 0.460 13.231 7.384 1.00 0.00 H new ATOM 0 HA MET A 1 -1.797 14.196 5.983 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.199 12.413 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.276 13.152 5.041 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.871 10.705 6.441 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.102 10.519 4.995 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.337 10.164 8.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.230 9.478 7.679 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.979 9.174 7.559 1.00 0.00 H new ATOM 18 N ARG A 2 -3.202 11.699 6.057 1.00 0.00 N ATOM 19 CA ARG A 2 -4.341 10.840 6.497 1.00 0.00 C ATOM 20 C ARG A 2 -3.903 9.375 6.514 1.00 0.00 C ATOM 21 O ARG A 2 -2.938 9.000 5.873 1.00 0.00 O ATOM 22 CB ARG A 2 -5.519 11.013 5.533 1.00 0.00 C ATOM 23 CG ARG A 2 -6.480 12.068 6.084 1.00 0.00 C ATOM 24 CD ARG A 2 -7.616 12.301 5.086 1.00 0.00 C ATOM 25 NE ARG A 2 -8.582 13.290 5.658 1.00 0.00 N ATOM 26 CZ ARG A 2 -9.621 13.714 4.966 1.00 0.00 C ATOM 27 NH1 ARG A 2 -9.858 13.287 3.747 1.00 0.00 N ATOM 28 NH2 ARG A 2 -10.435 14.578 5.507 1.00 0.00 N ATOM 0 H ARG A 2 -2.996 11.667 5.059 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.649 11.136 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.157 11.314 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.039 10.064 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.885 11.740 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.946 13.001 6.266 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.216 12.671 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.125 11.361 4.871 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.434 13.644 6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.230 12.610 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.670 13.632 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.264 14.917 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.243 14.915 4.983 1.00 0.00 H new ATOM 42 N LEU A 3 -4.603 8.547 7.249 1.00 0.00 N ATOM 43 CA LEU A 3 -4.233 7.103 7.323 1.00 0.00 C ATOM 44 C LEU A 3 -5.213 6.275 6.487 1.00 0.00 C ATOM 45 O LEU A 3 -6.207 5.783 6.987 1.00 0.00 O ATOM 46 CB LEU A 3 -4.294 6.639 8.780 1.00 0.00 C ATOM 47 CG LEU A 3 -3.383 7.524 9.638 1.00 0.00 C ATOM 48 CD1 LEU A 3 -4.031 7.751 11.006 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.031 6.832 9.828 1.00 0.00 C ATOM 0 H LEU A 3 -5.418 8.812 7.803 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.223 6.968 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.319 6.691 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.981 5.597 8.854 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.237 8.482 9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.383 8.380 11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.995 8.242 10.875 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.177 6.792 11.503 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.383 7.461 10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.180 5.874 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.566 6.668 8.856 1.00 0.00 H new ATOM 61 N PHE A 4 -4.935 6.119 5.216 1.00 0.00 N ATOM 62 CA PHE A 4 -5.840 5.323 4.337 1.00 0.00 C ATOM 63 C PHE A 4 -5.351 3.874 4.286 1.00 0.00 C ATOM 64 O PHE A 4 -4.170 3.605 4.419 1.00 0.00 O ATOM 65 CB PHE A 4 -5.827 5.913 2.926 1.00 0.00 C ATOM 66 CG PHE A 4 -6.751 7.106 2.868 1.00 0.00 C ATOM 67 CD1 PHE A 4 -6.272 8.380 3.198 1.00 0.00 C ATOM 68 CD2 PHE A 4 -8.088 6.939 2.484 1.00 0.00 C ATOM 69 CE1 PHE A 4 -7.129 9.487 3.143 1.00 0.00 C ATOM 70 CE2 PHE A 4 -8.943 8.046 2.431 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.465 9.319 2.760 1.00 0.00 C ATOM 0 H PHE A 4 -4.117 6.511 4.750 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.854 5.353 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.814 6.211 2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.142 5.160 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.242 8.509 3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.459 5.957 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.759 10.470 3.396 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.974 7.917 2.136 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.126 10.172 2.719 1.00 0.00 H new ATOM 81 N GLY A 5 -6.249 2.938 4.097 1.00 0.00 N ATOM 82 CA GLY A 5 -5.839 1.503 4.038 1.00 0.00 C ATOM 83 C GLY A 5 -6.656 0.770 2.971 1.00 0.00 C ATOM 84 O GLY A 5 -7.787 1.120 2.691 1.00 0.00 O ATOM 0 H GLY A 5 -7.248 3.107 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.776 1.429 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.989 1.033 5.010 1.00 0.00 H new ATOM 88 N TYR A 6 -6.086 -0.249 2.382 1.00 0.00 N ATOM 89 CA TYR A 6 -6.807 -1.026 1.333 1.00 0.00 C ATOM 90 C TYR A 6 -7.074 -2.442 1.856 1.00 0.00 C ATOM 91 O TYR A 6 -6.236 -3.032 2.514 1.00 0.00 O ATOM 92 CB TYR A 6 -5.937 -1.084 0.069 1.00 0.00 C ATOM 93 CG TYR A 6 -6.631 -1.876 -1.020 1.00 0.00 C ATOM 94 CD1 TYR A 6 -7.959 -1.591 -1.362 1.00 0.00 C ATOM 95 CD2 TYR A 6 -5.941 -2.897 -1.683 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.594 -2.328 -2.368 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.577 -3.633 -2.690 1.00 0.00 C ATOM 98 CZ TYR A 6 -7.905 -3.349 -3.032 1.00 0.00 C ATOM 99 OH TYR A 6 -8.533 -4.076 -4.022 1.00 0.00 O ATOM 0 H TYR A 6 -5.142 -0.578 2.586 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.757 -0.548 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.731 -0.073 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.976 -1.542 0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.492 -0.804 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.918 -3.117 -1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.618 -2.108 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.044 -4.420 -3.203 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.913 -4.745 -4.380 1.00 0.00 H new ATOM 109 N ALA A 7 -8.231 -2.986 1.574 1.00 0.00 N ATOM 110 CA ALA A 7 -8.553 -4.361 2.061 1.00 0.00 C ATOM 111 C ALA A 7 -9.264 -5.156 0.963 1.00 0.00 C ATOM 112 O ALA A 7 -9.971 -4.606 0.141 1.00 0.00 O ATOM 113 CB ALA A 7 -9.466 -4.268 3.291 1.00 0.00 C ATOM 0 H ALA A 7 -8.966 -2.537 1.028 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.626 -4.868 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.701 -5.271 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.958 -3.713 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.388 -3.753 3.021 1.00 0.00 H new ATOM 119 N ARG A 8 -9.090 -6.450 0.964 1.00 0.00 N ATOM 120 CA ARG A 8 -9.757 -7.314 -0.053 1.00 0.00 C ATOM 121 C ARG A 8 -9.980 -8.694 0.566 1.00 0.00 C ATOM 122 O ARG A 8 -9.079 -9.508 0.641 1.00 0.00 O ATOM 123 CB ARG A 8 -8.877 -7.426 -1.308 1.00 0.00 C ATOM 124 CG ARG A 8 -9.670 -6.962 -2.535 1.00 0.00 C ATOM 125 CD ARG A 8 -9.232 -7.753 -3.766 1.00 0.00 C ATOM 126 NE ARG A 8 -7.786 -7.487 -4.044 1.00 0.00 N ATOM 127 CZ ARG A 8 -7.153 -8.093 -5.031 1.00 0.00 C ATOM 128 NH1 ARG A 8 -7.759 -8.959 -5.808 1.00 0.00 N ATOM 129 NH2 ARG A 8 -5.893 -7.825 -5.236 1.00 0.00 N ATOM 0 H ARG A 8 -8.507 -6.951 1.634 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.713 -6.881 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.980 -6.818 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.548 -8.456 -1.443 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.737 -7.101 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.510 -5.897 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.391 -8.819 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.837 -7.469 -4.627 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.279 -6.823 -3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.744 -9.179 -5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.246 -9.413 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.410 -7.155 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.391 -8.285 -5.995 1.00 0.00 H new ATOM 143 N VAL A 9 -11.173 -8.947 1.035 1.00 0.00 N ATOM 144 CA VAL A 9 -11.480 -10.256 1.687 1.00 0.00 C ATOM 145 C VAL A 9 -11.153 -11.427 0.756 1.00 0.00 C ATOM 146 O VAL A 9 -11.004 -11.266 -0.441 1.00 0.00 O ATOM 147 CB VAL A 9 -12.964 -10.294 2.056 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.266 -9.180 3.056 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.812 -10.083 0.806 1.00 0.00 C ATOM 0 H VAL A 9 -11.957 -8.296 0.994 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.866 -10.352 2.582 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.199 -11.263 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.323 -9.205 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.664 -9.323 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.027 -8.215 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.868 -10.111 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.575 -9.115 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.600 -10.872 0.085 1.00 0.00 H new ATOM 159 N SER A 10 -11.049 -12.606 1.312 1.00 0.00 N ATOM 160 CA SER A 10 -10.742 -13.811 0.492 1.00 0.00 C ATOM 161 C SER A 10 -11.235 -15.067 1.224 1.00 0.00 C ATOM 162 O SER A 10 -10.720 -16.151 1.020 1.00 0.00 O ATOM 163 CB SER A 10 -9.228 -13.901 0.269 1.00 0.00 C ATOM 164 OG SER A 10 -8.966 -14.073 -1.117 1.00 0.00 O ATOM 0 H SER A 10 -11.165 -12.785 2.309 1.00 0.00 H new ATOM 0 HA SER A 10 -11.245 -13.737 -0.472 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.741 -12.996 0.633 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.815 -14.736 0.835 1.00 0.00 H new ATOM 0 HG SER A 10 -7.998 -14.129 -1.263 1.00 0.00 H new ATOM 170 N THR A 11 -12.230 -14.931 2.072 1.00 0.00 N ATOM 171 CA THR A 11 -12.754 -16.118 2.811 1.00 0.00 C ATOM 172 C THR A 11 -14.273 -15.983 2.992 1.00 0.00 C ATOM 173 O THR A 11 -14.815 -14.895 2.955 1.00 0.00 O ATOM 174 CB THR A 11 -12.052 -16.228 4.182 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.367 -17.482 4.771 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.498 -15.098 5.122 1.00 0.00 C ATOM 0 H THR A 11 -12.698 -14.049 2.281 1.00 0.00 H new ATOM 0 HA THR A 11 -12.549 -17.024 2.241 1.00 0.00 H new ATOM 0 HB THR A 11 -10.976 -16.144 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.922 -17.556 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.988 -15.199 6.080 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.247 -14.135 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.575 -15.157 5.276 1.00 0.00 H new ATOM 184 N SER A 12 -14.956 -17.082 3.189 1.00 0.00 N ATOM 185 CA SER A 12 -16.435 -17.027 3.377 1.00 0.00 C ATOM 186 C SER A 12 -16.748 -16.335 4.707 1.00 0.00 C ATOM 187 O SER A 12 -17.759 -15.673 4.851 1.00 0.00 O ATOM 188 CB SER A 12 -16.999 -18.451 3.388 1.00 0.00 C ATOM 189 OG SER A 12 -18.162 -18.500 2.571 1.00 0.00 O ATOM 0 H SER A 12 -14.551 -18.017 3.228 1.00 0.00 H new ATOM 0 HA SER A 12 -16.891 -16.467 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.252 -19.154 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.243 -18.750 4.407 1.00 0.00 H new ATOM 0 HG SER A 12 -18.526 -19.410 2.574 1.00 0.00 H new ATOM 195 N GLN A 13 -15.883 -16.484 5.679 1.00 0.00 N ATOM 196 CA GLN A 13 -16.113 -15.842 7.005 1.00 0.00 C ATOM 197 C GLN A 13 -16.144 -14.318 6.839 1.00 0.00 C ATOM 198 O GLN A 13 -16.314 -13.811 5.745 1.00 0.00 O ATOM 199 CB GLN A 13 -14.980 -16.237 7.961 1.00 0.00 C ATOM 200 CG GLN A 13 -15.546 -16.466 9.366 1.00 0.00 C ATOM 201 CD GLN A 13 -14.819 -17.638 10.029 1.00 0.00 C ATOM 202 OE1 GLN A 13 -13.655 -17.871 9.768 1.00 0.00 O ATOM 203 NE2 GLN A 13 -15.460 -18.390 10.881 1.00 0.00 N ATOM 0 H GLN A 13 -15.022 -17.027 5.608 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.066 -16.176 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.489 -17.142 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.223 -15.453 7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.428 -15.565 9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.615 -16.673 9.309 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.437 -18.194 11.100 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.984 -19.174 11.328 1.00 0.00 H new ATOM 212 N GLN A 14 -15.988 -13.589 7.916 1.00 0.00 N ATOM 213 CA GLN A 14 -16.015 -12.099 7.830 1.00 0.00 C ATOM 214 C GLN A 14 -14.596 -11.563 7.608 1.00 0.00 C ATOM 215 O GLN A 14 -14.018 -10.928 8.471 1.00 0.00 O ATOM 216 CB GLN A 14 -16.592 -11.526 9.128 1.00 0.00 C ATOM 217 CG GLN A 14 -15.751 -11.986 10.332 1.00 0.00 C ATOM 218 CD GLN A 14 -16.658 -12.637 11.382 1.00 0.00 C ATOM 219 OE1 GLN A 14 -17.605 -13.318 11.048 1.00 0.00 O ATOM 220 NE2 GLN A 14 -16.402 -12.451 12.650 1.00 0.00 N ATOM 0 H GLN A 14 -15.843 -13.964 8.853 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.641 -11.796 6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.605 -10.437 9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.625 -11.852 9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.990 -12.695 10.006 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.228 -11.135 10.768 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.606 -11.879 12.931 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.998 -12.878 13.359 1.00 0.00 H new ATOM 229 N SER A 15 -14.035 -11.816 6.455 1.00 0.00 N ATOM 230 CA SER A 15 -12.657 -11.329 6.162 1.00 0.00 C ATOM 231 C SER A 15 -12.631 -9.797 6.196 1.00 0.00 C ATOM 232 O SER A 15 -11.629 -9.194 6.534 1.00 0.00 O ATOM 233 CB SER A 15 -12.228 -11.827 4.778 1.00 0.00 C ATOM 234 OG SER A 15 -11.141 -12.732 4.924 1.00 0.00 O ATOM 0 H SER A 15 -14.475 -12.342 5.700 1.00 0.00 H new ATOM 0 HA SER A 15 -11.967 -11.711 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.063 -12.320 4.281 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.935 -10.986 4.150 1.00 0.00 H new ATOM 0 HG SER A 15 -10.303 -12.229 4.990 1.00 0.00 H new ATOM 240 N LEU A 16 -13.725 -9.161 5.847 1.00 0.00 N ATOM 241 CA LEU A 16 -13.767 -7.665 5.856 1.00 0.00 C ATOM 242 C LEU A 16 -13.439 -7.166 7.271 1.00 0.00 C ATOM 243 O LEU A 16 -12.650 -6.258 7.448 1.00 0.00 O ATOM 244 CB LEU A 16 -15.167 -7.195 5.415 1.00 0.00 C ATOM 245 CG LEU A 16 -15.347 -5.686 5.669 1.00 0.00 C ATOM 246 CD1 LEU A 16 -16.073 -5.043 4.486 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.172 -5.478 6.943 1.00 0.00 C ATOM 0 H LEU A 16 -14.591 -9.615 5.556 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.032 -7.257 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.310 -7.409 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.930 -7.753 5.958 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.367 -5.223 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.197 -3.976 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.488 -5.188 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.052 -5.507 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.300 -4.411 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.149 -5.946 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.655 -5.930 7.789 1.00 0.00 H new ATOM 259 N ASP A 17 -14.024 -7.770 8.272 1.00 0.00 N ATOM 260 CA ASP A 17 -13.734 -7.351 9.673 1.00 0.00 C ATOM 261 C ASP A 17 -12.266 -7.650 9.973 1.00 0.00 C ATOM 262 O ASP A 17 -11.546 -6.822 10.496 1.00 0.00 O ATOM 263 CB ASP A 17 -14.629 -8.134 10.634 1.00 0.00 C ATOM 264 CG ASP A 17 -14.954 -7.268 11.852 1.00 0.00 C ATOM 265 OD1 ASP A 17 -14.027 -6.739 12.442 1.00 0.00 O ATOM 266 OD2 ASP A 17 -16.125 -7.146 12.171 1.00 0.00 O ATOM 0 H ASP A 17 -14.691 -8.536 8.179 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.929 -6.286 9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.549 -8.431 10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.128 -9.050 10.949 1.00 0.00 H new ATOM 271 N ILE A 18 -11.821 -8.831 9.624 1.00 0.00 N ATOM 272 CA ILE A 18 -10.395 -9.219 9.860 1.00 0.00 C ATOM 273 C ILE A 18 -9.473 -8.235 9.127 1.00 0.00 C ATOM 274 O ILE A 18 -8.597 -7.637 9.722 1.00 0.00 O ATOM 275 CB ILE A 18 -10.187 -10.650 9.322 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.964 -11.639 10.200 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.698 -11.027 9.329 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.590 -12.731 9.324 1.00 0.00 C ATOM 0 H ILE A 18 -12.391 -9.551 9.181 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.160 -9.190 10.924 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.551 -10.691 8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.297 -12.088 10.936 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.742 -11.114 10.754 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.577 -12.040 8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.144 -10.332 8.698 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.315 -10.977 10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.141 -13.431 9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.271 -12.275 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.804 -13.264 8.790 1.00 0.00 H new ATOM 290 N GLN A 19 -9.661 -8.073 7.842 1.00 0.00 N ATOM 291 CA GLN A 19 -8.798 -7.137 7.059 1.00 0.00 C ATOM 292 C GLN A 19 -8.808 -5.751 7.710 1.00 0.00 C ATOM 293 O GLN A 19 -7.769 -5.162 7.929 1.00 0.00 O ATOM 294 CB GLN A 19 -9.326 -7.048 5.626 1.00 0.00 C ATOM 295 CG GLN A 19 -8.751 -8.199 4.785 1.00 0.00 C ATOM 296 CD GLN A 19 -9.113 -9.554 5.402 1.00 0.00 C ATOM 297 OE1 GLN A 19 -10.019 -10.217 4.945 1.00 0.00 O ATOM 298 NE2 GLN A 19 -8.429 -10.002 6.419 1.00 0.00 N ATOM 0 H GLN A 19 -10.379 -8.552 7.298 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.773 -7.509 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.415 -7.095 5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.049 -6.090 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.139 -8.142 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.667 -8.102 4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.666 -9.446 6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.657 -10.908 6.828 1.00 0.00 H new ATOM 307 N VAL A 20 -9.971 -5.238 8.045 1.00 0.00 N ATOM 308 CA VAL A 20 -10.052 -3.895 8.708 1.00 0.00 C ATOM 309 C VAL A 20 -9.121 -3.877 9.931 1.00 0.00 C ATOM 310 O VAL A 20 -8.350 -2.954 10.121 1.00 0.00 O ATOM 311 CB VAL A 20 -11.501 -3.631 9.143 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.597 -2.301 9.897 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.401 -3.571 7.904 1.00 0.00 C ATOM 0 H VAL A 20 -10.870 -5.694 7.887 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.741 -3.116 8.011 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.823 -4.438 9.801 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.630 -2.128 10.199 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.962 -2.338 10.782 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.268 -1.490 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.430 -3.384 8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.065 -2.767 7.249 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.349 -4.520 7.370 1.00 0.00 H new ATOM 323 N ARG A 21 -9.172 -4.906 10.742 1.00 0.00 N ATOM 324 CA ARG A 21 -8.273 -4.970 11.939 1.00 0.00 C ATOM 325 C ARG A 21 -6.825 -4.988 11.447 1.00 0.00 C ATOM 326 O ARG A 21 -5.936 -4.438 12.068 1.00 0.00 O ATOM 327 CB ARG A 21 -8.528 -6.252 12.753 1.00 0.00 C ATOM 328 CG ARG A 21 -10.027 -6.562 12.834 1.00 0.00 C ATOM 329 CD ARG A 21 -10.409 -6.931 14.268 1.00 0.00 C ATOM 330 NE ARG A 21 -11.770 -7.553 14.279 1.00 0.00 N ATOM 331 CZ ARG A 21 -11.961 -8.797 13.884 1.00 0.00 C ATOM 332 NH1 ARG A 21 -10.967 -9.546 13.463 1.00 0.00 N ATOM 333 NH2 ARG A 21 -13.167 -9.295 13.910 1.00 0.00 N ATOM 0 H ARG A 21 -9.797 -5.704 10.628 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.468 -4.107 12.576 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.004 -7.090 12.293 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.122 -6.136 13.758 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.604 -5.697 12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.274 -7.383 12.161 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.678 -7.624 14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.399 -6.042 14.898 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.567 -7.003 14.599 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.020 -9.168 13.436 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.143 -10.505 13.163 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.948 -8.724 14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.329 -10.256 13.607 1.00 0.00 H new ATOM 347 N ALA A 22 -6.598 -5.621 10.326 1.00 0.00 N ATOM 348 CA ALA A 22 -5.224 -5.693 9.761 1.00 0.00 C ATOM 349 C ALA A 22 -4.768 -4.288 9.352 1.00 0.00 C ATOM 350 O ALA A 22 -3.624 -3.921 9.554 1.00 0.00 O ATOM 351 CB ALA A 22 -5.231 -6.619 8.540 1.00 0.00 C ATOM 0 H ALA A 22 -7.314 -6.094 9.775 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.535 -6.087 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.226 -6.676 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.556 -7.615 8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.916 -6.225 7.789 1.00 0.00 H new ATOM 357 N LEU A 23 -5.651 -3.496 8.791 1.00 0.00 N ATOM 358 CA LEU A 23 -5.258 -2.112 8.384 1.00 0.00 C ATOM 359 C LEU A 23 -5.103 -1.256 9.642 1.00 0.00 C ATOM 360 O LEU A 23 -4.158 -0.505 9.777 1.00 0.00 O ATOM 361 CB LEU A 23 -6.323 -1.472 7.468 1.00 0.00 C ATOM 362 CG LEU A 23 -6.928 -2.496 6.488 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.792 -1.760 5.464 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.823 -3.262 5.747 1.00 0.00 C ATOM 0 H LEU A 23 -6.621 -3.747 8.599 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.320 -2.166 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.116 -1.042 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.874 -0.653 6.906 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.529 -3.207 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.223 -2.479 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.593 -1.228 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.177 -1.047 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.274 -3.979 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.208 -2.560 5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.201 -3.792 6.468 1.00 0.00 H new ATOM 376 N LYS A 24 -6.027 -1.369 10.566 1.00 0.00 N ATOM 377 CA LYS A 24 -5.940 -0.568 11.826 1.00 0.00 C ATOM 378 C LYS A 24 -4.664 -0.957 12.573 1.00 0.00 C ATOM 379 O LYS A 24 -3.942 -0.113 13.068 1.00 0.00 O ATOM 380 CB LYS A 24 -7.170 -0.851 12.701 1.00 0.00 C ATOM 381 CG LYS A 24 -7.993 0.430 12.870 1.00 0.00 C ATOM 382 CD LYS A 24 -8.997 0.547 11.724 1.00 0.00 C ATOM 383 CE LYS A 24 -10.152 -0.431 11.951 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.734 -0.210 13.305 1.00 0.00 N ATOM 0 H LYS A 24 -6.839 -1.983 10.501 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.913 0.496 11.590 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.781 -1.629 12.244 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.856 -1.224 13.676 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.517 0.415 13.826 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.335 1.299 12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.377 1.567 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.507 0.332 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.917 -0.290 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.796 -1.457 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.752 -0.420 13.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.266 -0.836 13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.591 0.781 13.587 1.00 0.00 H new ATOM 398 N ASP A 25 -4.368 -2.233 12.630 1.00 0.00 N ATOM 399 CA ASP A 25 -3.129 -2.693 13.312 1.00 0.00 C ATOM 400 C ASP A 25 -1.927 -2.071 12.604 1.00 0.00 C ATOM 401 O ASP A 25 -0.926 -1.739 13.210 1.00 0.00 O ATOM 402 CB ASP A 25 -3.041 -4.213 13.208 1.00 0.00 C ATOM 403 CG ASP A 25 -2.213 -4.764 14.370 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.997 -4.750 14.264 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.808 -5.189 15.347 1.00 0.00 O ATOM 0 H ASP A 25 -4.939 -2.977 12.229 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.141 -2.397 14.361 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.041 -4.646 13.224 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.586 -4.496 12.259 1.00 0.00 H new ATOM 410 N ALA A 26 -2.041 -1.905 11.314 1.00 0.00 N ATOM 411 CA ALA A 26 -0.945 -1.299 10.520 1.00 0.00 C ATOM 412 C ALA A 26 -0.877 0.200 10.813 1.00 0.00 C ATOM 413 O ALA A 26 0.177 0.806 10.768 1.00 0.00 O ATOM 414 CB ALA A 26 -1.247 -1.514 9.038 1.00 0.00 C ATOM 0 H ALA A 26 -2.863 -2.170 10.772 1.00 0.00 H new ATOM 0 HA ALA A 26 0.008 -1.759 10.780 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.451 -1.075 8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.310 -2.582 8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.195 -1.039 8.787 1.00 0.00 H new ATOM 420 N GLY A 27 -2.003 0.803 11.104 1.00 0.00 N ATOM 421 CA GLY A 27 -2.028 2.267 11.390 1.00 0.00 C ATOM 422 C GLY A 27 -3.001 2.931 10.422 1.00 0.00 C ATOM 423 O GLY A 27 -2.715 3.957 9.837 1.00 0.00 O ATOM 0 H GLY A 27 -2.910 0.339 11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.336 2.447 12.420 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.031 2.692 11.277 1.00 0.00 H new ATOM 427 N VAL A 28 -4.150 2.333 10.243 1.00 0.00 N ATOM 428 CA VAL A 28 -5.160 2.892 9.307 1.00 0.00 C ATOM 429 C VAL A 28 -6.435 3.238 10.087 1.00 0.00 C ATOM 430 O VAL A 28 -6.874 2.491 10.939 1.00 0.00 O ATOM 431 CB VAL A 28 -5.460 1.838 8.231 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.532 2.345 7.264 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.178 1.544 7.448 1.00 0.00 C ATOM 0 H VAL A 28 -4.431 1.472 10.712 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.784 3.799 8.833 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.824 0.933 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.730 1.584 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.448 2.557 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.182 3.256 6.778 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.383 0.796 6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.822 2.460 6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.415 1.167 8.128 1.00 0.00 H new ATOM 443 N LYS A 29 -7.028 4.366 9.791 1.00 0.00 N ATOM 444 CA LYS A 29 -8.275 4.775 10.500 1.00 0.00 C ATOM 445 C LYS A 29 -9.441 3.911 10.008 1.00 0.00 C ATOM 446 O LYS A 29 -9.525 3.581 8.840 1.00 0.00 O ATOM 447 CB LYS A 29 -8.559 6.257 10.204 1.00 0.00 C ATOM 448 CG LYS A 29 -8.627 7.050 11.513 1.00 0.00 C ATOM 449 CD LYS A 29 -7.988 8.426 11.313 1.00 0.00 C ATOM 450 CE LYS A 29 -8.624 9.432 12.274 1.00 0.00 C ATOM 451 NZ LYS A 29 -7.602 10.432 12.695 1.00 0.00 N ATOM 0 H LYS A 29 -6.699 5.024 9.085 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.156 4.638 11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.777 6.664 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.499 6.354 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.664 7.162 11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.109 6.509 12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.914 8.368 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.125 8.755 10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.462 9.934 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.023 8.915 13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.034 11.116 13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.817 9.946 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.241 10.933 11.858 1.00 0.00 H new ATOM 465 N ALA A 30 -10.340 3.547 10.889 1.00 0.00 N ATOM 466 CA ALA A 30 -11.504 2.709 10.472 1.00 0.00 C ATOM 467 C ALA A 30 -12.347 3.484 9.459 1.00 0.00 C ATOM 468 O ALA A 30 -12.957 2.911 8.575 1.00 0.00 O ATOM 469 CB ALA A 30 -12.359 2.368 11.694 1.00 0.00 C ATOM 0 H ALA A 30 -10.317 3.794 11.878 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.143 1.786 10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.207 1.757 11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.758 1.816 12.416 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.722 3.288 12.152 1.00 0.00 H new ATOM 475 N ASN A 31 -12.377 4.786 9.579 1.00 0.00 N ATOM 476 CA ASN A 31 -13.164 5.614 8.626 1.00 0.00 C ATOM 477 C ASN A 31 -12.511 5.546 7.239 1.00 0.00 C ATOM 478 O ASN A 31 -13.163 5.748 6.230 1.00 0.00 O ATOM 479 CB ASN A 31 -13.180 7.066 9.124 1.00 0.00 C ATOM 480 CG ASN A 31 -14.615 7.596 9.126 1.00 0.00 C ATOM 481 OD1 ASN A 31 -14.922 8.556 8.448 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.511 7.004 9.865 1.00 0.00 N ATOM 0 H ASN A 31 -11.886 5.312 10.302 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.186 5.241 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.761 7.120 10.129 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.554 7.687 8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.472 7.347 9.875 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.251 6.198 10.434 1.00 0.00 H new ATOM 489 N ARG A 32 -11.231 5.263 7.182 1.00 0.00 N ATOM 490 CA ARG A 32 -10.533 5.182 5.863 1.00 0.00 C ATOM 491 C ARG A 32 -10.182 3.719 5.569 1.00 0.00 C ATOM 492 O ARG A 32 -9.032 3.369 5.372 1.00 0.00 O ATOM 493 CB ARG A 32 -9.245 6.029 5.879 1.00 0.00 C ATOM 494 CG ARG A 32 -9.445 7.311 6.704 1.00 0.00 C ATOM 495 CD ARG A 32 -8.577 8.438 6.136 1.00 0.00 C ATOM 496 NE ARG A 32 -9.433 9.637 5.872 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.902 10.377 6.855 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.644 10.097 8.112 1.00 0.00 N ATOM 499 NH2 ARG A 32 -10.641 11.415 6.573 1.00 0.00 N ATOM 0 H ARG A 32 -10.640 5.085 7.994 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.194 5.570 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.426 5.445 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.962 6.288 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.495 7.605 6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.182 7.128 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.784 8.691 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.094 8.112 5.215 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.658 9.887 4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.067 9.289 8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.020 10.688 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.849 11.644 5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.011 11.997 7.325 1.00 0.00 H new ATOM 513 N ILE A 33 -11.173 2.865 5.530 1.00 0.00 N ATOM 514 CA ILE A 33 -10.917 1.423 5.241 1.00 0.00 C ATOM 515 C ILE A 33 -11.554 1.073 3.893 1.00 0.00 C ATOM 516 O ILE A 33 -12.683 0.625 3.829 1.00 0.00 O ATOM 517 CB ILE A 33 -11.536 0.561 6.351 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.911 0.946 7.701 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.291 -0.929 6.064 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.413 0.620 7.712 1.00 0.00 C ATOM 0 H ILE A 33 -12.152 3.106 5.687 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.845 1.232 5.202 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.611 0.736 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.059 2.010 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.412 0.409 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.734 -1.530 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.746 -1.195 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.219 -1.120 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.987 0.899 8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.272 -0.448 7.549 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.914 1.177 6.919 1.00 0.00 H new ATOM 532 N PHE A 34 -10.836 1.278 2.819 1.00 0.00 N ATOM 533 CA PHE A 34 -11.393 0.966 1.472 1.00 0.00 C ATOM 534 C PHE A 34 -11.308 -0.543 1.217 1.00 0.00 C ATOM 535 O PHE A 34 -10.535 -1.004 0.398 1.00 0.00 O ATOM 536 CB PHE A 34 -10.600 1.723 0.406 1.00 0.00 C ATOM 537 CG PHE A 34 -11.072 3.156 0.363 1.00 0.00 C ATOM 538 CD1 PHE A 34 -10.727 4.038 1.393 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.861 3.601 -0.706 1.00 0.00 C ATOM 540 CE1 PHE A 34 -11.169 5.366 1.355 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.304 4.928 -0.742 1.00 0.00 C ATOM 542 CZ PHE A 34 -11.958 5.811 0.287 1.00 0.00 C ATOM 0 H PHE A 34 -9.886 1.649 2.818 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.437 1.275 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.534 1.685 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.736 1.253 -0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.120 3.694 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.127 2.921 -1.501 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.901 6.047 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.914 5.271 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.299 6.835 0.258 1.00 0.00 H new ATOM 552 N THR A 35 -12.105 -1.311 1.917 1.00 0.00 N ATOM 553 CA THR A 35 -12.087 -2.790 1.723 1.00 0.00 C ATOM 554 C THR A 35 -12.886 -3.145 0.465 1.00 0.00 C ATOM 555 O THR A 35 -13.739 -2.393 0.032 1.00 0.00 O ATOM 556 CB THR A 35 -12.707 -3.479 2.946 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.695 -4.886 2.748 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.151 -3.007 3.146 1.00 0.00 C ATOM 0 H THR A 35 -12.768 -0.975 2.615 1.00 0.00 H new ATOM 0 HA THR A 35 -11.058 -3.131 1.607 1.00 0.00 H new ATOM 0 HB THR A 35 -12.125 -3.223 3.831 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.089 -5.330 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.579 -3.504 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.163 -1.928 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.740 -3.253 2.262 1.00 0.00 H new ATOM 566 N ASP A 36 -12.612 -4.281 -0.123 1.00 0.00 N ATOM 567 CA ASP A 36 -13.350 -4.688 -1.354 1.00 0.00 C ATOM 568 C ASP A 36 -13.941 -6.082 -1.155 1.00 0.00 C ATOM 569 O ASP A 36 -13.230 -7.068 -1.139 1.00 0.00 O ATOM 570 CB ASP A 36 -12.383 -4.709 -2.538 1.00 0.00 C ATOM 571 CG ASP A 36 -11.932 -3.283 -2.851 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.674 -2.548 -1.916 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.851 -2.950 -4.022 1.00 0.00 O ATOM 0 H ASP A 36 -11.907 -4.945 0.198 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.154 -3.978 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.520 -5.332 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.868 -5.148 -3.410 1.00 0.00 H new ATOM 578 N LYS A 37 -15.240 -6.170 -1.006 1.00 0.00 N ATOM 579 CA LYS A 37 -15.885 -7.501 -0.810 1.00 0.00 C ATOM 580 C LYS A 37 -15.675 -8.350 -2.068 1.00 0.00 C ATOM 581 O LYS A 37 -16.501 -8.374 -2.961 1.00 0.00 O ATOM 582 CB LYS A 37 -17.384 -7.312 -0.552 1.00 0.00 C ATOM 583 CG LYS A 37 -17.851 -8.304 0.518 1.00 0.00 C ATOM 584 CD LYS A 37 -17.368 -7.841 1.900 1.00 0.00 C ATOM 585 CE LYS A 37 -16.934 -9.054 2.725 1.00 0.00 C ATOM 586 NZ LYS A 37 -18.077 -10.000 2.858 1.00 0.00 N ATOM 0 H LYS A 37 -15.880 -5.376 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.438 -8.005 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.581 -6.291 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.944 -7.466 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.938 -8.379 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.461 -9.298 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.536 -7.146 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.166 -7.305 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.091 -9.551 2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.596 -8.734 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.889 -10.665 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.947 -9.467 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.194 -10.530 1.971 1.00 0.00 H new ATOM 600 N ALA A 38 -14.568 -9.042 -2.139 1.00 0.00 N ATOM 601 CA ALA A 38 -14.265 -9.894 -3.326 1.00 0.00 C ATOM 602 C ALA A 38 -15.110 -11.173 -3.275 1.00 0.00 C ATOM 603 O ALA A 38 -14.590 -12.274 -3.233 1.00 0.00 O ATOM 604 CB ALA A 38 -12.776 -10.256 -3.308 1.00 0.00 C ATOM 0 H ALA A 38 -13.851 -9.053 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.502 -9.351 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.543 -10.879 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.179 -9.345 -3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.545 -10.802 -2.393 1.00 0.00 H new ATOM 610 N SER A 39 -16.408 -11.031 -3.283 1.00 0.00 N ATOM 611 CA SER A 39 -17.300 -12.227 -3.240 1.00 0.00 C ATOM 612 C SER A 39 -18.419 -12.064 -4.270 1.00 0.00 C ATOM 613 O SER A 39 -19.516 -11.648 -3.946 1.00 0.00 O ATOM 614 CB SER A 39 -17.906 -12.361 -1.843 1.00 0.00 C ATOM 615 OG SER A 39 -16.875 -12.641 -0.906 1.00 0.00 O ATOM 0 H SER A 39 -16.892 -10.134 -3.318 1.00 0.00 H new ATOM 0 HA SER A 39 -16.722 -13.122 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 39 -18.422 -11.441 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 39 -18.649 -13.158 -1.832 1.00 0.00 H new ATOM 0 HG SER A 39 -17.262 -12.726 -0.010 1.00 0.00 H new ATOM 621 N GLY A 40 -18.149 -12.387 -5.510 1.00 0.00 N ATOM 622 CA GLY A 40 -19.190 -12.252 -6.569 1.00 0.00 C ATOM 623 C GLY A 40 -18.859 -13.183 -7.738 1.00 0.00 C ATOM 624 O GLY A 40 -18.496 -14.329 -7.546 1.00 0.00 O ATOM 0 H GLY A 40 -17.248 -12.740 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.171 -12.498 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -19.238 -11.220 -6.916 1.00 0.00 H new ATOM 628 N SER A 41 -18.984 -12.697 -8.947 1.00 0.00 N ATOM 629 CA SER A 41 -18.679 -13.546 -10.137 1.00 0.00 C ATOM 630 C SER A 41 -17.163 -13.658 -10.312 1.00 0.00 C ATOM 631 O SER A 41 -16.654 -14.679 -10.734 1.00 0.00 O ATOM 632 CB SER A 41 -19.291 -12.911 -11.386 1.00 0.00 C ATOM 633 OG SER A 41 -20.601 -12.447 -11.083 1.00 0.00 O ATOM 0 H SER A 41 -19.285 -11.746 -9.161 1.00 0.00 H new ATOM 0 HA SER A 41 -19.101 -14.540 -9.990 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.670 -12.084 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.329 -13.639 -12.197 1.00 0.00 H new ATOM 0 HG SER A 41 -20.996 -12.038 -11.881 1.00 0.00 H new ATOM 639 N SER A 42 -16.442 -12.615 -9.992 1.00 0.00 N ATOM 640 CA SER A 42 -14.957 -12.651 -10.137 1.00 0.00 C ATOM 641 C SER A 42 -14.311 -11.869 -8.993 1.00 0.00 C ATOM 642 O SER A 42 -13.653 -12.434 -8.139 1.00 0.00 O ATOM 643 CB SER A 42 -14.561 -12.021 -11.473 1.00 0.00 C ATOM 644 OG SER A 42 -14.992 -12.862 -12.536 1.00 0.00 O ATOM 0 H SER A 42 -16.819 -11.737 -9.635 1.00 0.00 H new ATOM 0 HA SER A 42 -14.615 -13.685 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.012 -11.033 -11.570 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.481 -11.884 -11.518 1.00 0.00 H new ATOM 0 HG SER A 42 -14.741 -12.460 -13.394 1.00 0.00 H new ATOM 650 N SER A 43 -14.495 -10.575 -8.970 1.00 0.00 N ATOM 651 CA SER A 43 -13.897 -9.746 -7.884 1.00 0.00 C ATOM 652 C SER A 43 -14.637 -8.411 -7.793 1.00 0.00 C ATOM 653 O SER A 43 -15.292 -7.991 -8.728 1.00 0.00 O ATOM 654 CB SER A 43 -12.421 -9.492 -8.192 1.00 0.00 C ATOM 655 OG SER A 43 -12.274 -9.210 -9.578 1.00 0.00 O ATOM 0 H SER A 43 -15.037 -10.055 -9.660 1.00 0.00 H new ATOM 0 HA SER A 43 -13.985 -10.274 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.052 -8.656 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.825 -10.364 -7.921 1.00 0.00 H new ATOM 0 HG SER A 43 -11.329 -9.045 -9.780 1.00 0.00 H new ATOM 661 N ASP A 44 -14.541 -7.744 -6.671 1.00 0.00 N ATOM 662 CA ASP A 44 -15.239 -6.436 -6.508 1.00 0.00 C ATOM 663 C ASP A 44 -14.211 -5.346 -6.180 1.00 0.00 C ATOM 664 O ASP A 44 -14.240 -4.748 -5.121 1.00 0.00 O ATOM 665 CB ASP A 44 -16.262 -6.545 -5.372 1.00 0.00 C ATOM 666 CG ASP A 44 -17.447 -5.623 -5.664 1.00 0.00 C ATOM 667 OD1 ASP A 44 -17.996 -5.721 -6.748 1.00 0.00 O ATOM 668 OD2 ASP A 44 -17.784 -4.834 -4.797 1.00 0.00 O ATOM 0 H ASP A 44 -14.007 -8.052 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 44 -15.754 -6.176 -7.433 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.604 -7.575 -5.274 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.799 -6.271 -4.424 1.00 0.00 H new ATOM 673 N ARG A 45 -13.302 -5.087 -7.087 1.00 0.00 N ATOM 674 CA ARG A 45 -12.262 -4.041 -6.845 1.00 0.00 C ATOM 675 C ARG A 45 -12.906 -2.647 -6.879 1.00 0.00 C ATOM 676 O ARG A 45 -12.620 -1.844 -7.749 1.00 0.00 O ATOM 677 CB ARG A 45 -11.184 -4.140 -7.927 1.00 0.00 C ATOM 678 CG ARG A 45 -10.177 -5.229 -7.551 1.00 0.00 C ATOM 679 CD ARG A 45 -8.881 -5.022 -8.340 1.00 0.00 C ATOM 680 NE ARG A 45 -9.112 -5.357 -9.778 1.00 0.00 N ATOM 681 CZ ARG A 45 -9.209 -6.607 -10.185 1.00 0.00 C ATOM 682 NH1 ARG A 45 -9.107 -7.613 -9.347 1.00 0.00 N ATOM 683 NH2 ARG A 45 -9.411 -6.849 -11.451 1.00 0.00 N ATOM 0 H ARG A 45 -13.236 -5.558 -7.989 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.810 -4.198 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.641 -4.370 -8.890 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.675 -3.182 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.973 -5.196 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.593 -6.213 -7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.547 -3.989 -8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.090 -5.651 -7.932 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.196 -4.602 -10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.949 -7.436 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.186 -8.571 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.492 -6.076 -12.111 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.488 -7.811 -11.780 1.00 0.00 H new ATOM 697 N LYS A 46 -13.765 -2.351 -5.934 1.00 0.00 N ATOM 698 CA LYS A 46 -14.416 -1.009 -5.904 1.00 0.00 C ATOM 699 C LYS A 46 -13.676 -0.117 -4.911 1.00 0.00 C ATOM 700 O LYS A 46 -13.385 1.027 -5.194 1.00 0.00 O ATOM 701 CB LYS A 46 -15.875 -1.138 -5.471 1.00 0.00 C ATOM 702 CG LYS A 46 -16.603 -2.105 -6.401 1.00 0.00 C ATOM 703 CD LYS A 46 -16.961 -1.394 -7.712 1.00 0.00 C ATOM 704 CE LYS A 46 -18.431 -0.965 -7.680 1.00 0.00 C ATOM 705 NZ LYS A 46 -18.665 0.085 -8.710 1.00 0.00 N ATOM 0 H LYS A 46 -14.042 -2.983 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.379 -0.573 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.929 -1.496 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.359 -0.162 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.973 -2.971 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.507 -2.476 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.321 -0.523 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.784 -2.058 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -19.076 -1.824 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.688 -0.584 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.663 0.376 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.060 0.907 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.436 -0.294 -9.651 1.00 0.00 H new ATOM 719 N GLY A 47 -13.361 -0.635 -3.745 1.00 0.00 N ATOM 720 CA GLY A 47 -12.626 0.180 -2.725 1.00 0.00 C ATOM 721 C GLY A 47 -11.338 0.724 -3.345 1.00 0.00 C ATOM 722 O GLY A 47 -10.927 1.832 -3.072 1.00 0.00 O ATOM 0 H GLY A 47 -13.582 -1.588 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.253 1.002 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.393 -0.431 -1.853 1.00 0.00 H new ATOM 726 N LEU A 48 -10.720 -0.050 -4.197 1.00 0.00 N ATOM 727 CA LEU A 48 -9.472 0.407 -4.871 1.00 0.00 C ATOM 728 C LEU A 48 -9.860 1.407 -5.964 1.00 0.00 C ATOM 729 O LEU A 48 -9.160 2.368 -6.219 1.00 0.00 O ATOM 730 CB LEU A 48 -8.773 -0.813 -5.488 1.00 0.00 C ATOM 731 CG LEU A 48 -7.525 -0.387 -6.264 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.505 -1.527 -6.240 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.909 -0.086 -7.712 1.00 0.00 C ATOM 0 H LEU A 48 -11.030 -0.987 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.794 0.885 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.496 -1.516 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.461 -1.334 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.094 0.503 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.613 -1.229 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.235 -1.752 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.939 -2.413 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.022 0.218 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.335 -0.979 -8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.644 0.718 -7.734 1.00 0.00 H new ATOM 745 N ASP A 49 -10.981 1.182 -6.597 1.00 0.00 N ATOM 746 CA ASP A 49 -11.448 2.105 -7.668 1.00 0.00 C ATOM 747 C ASP A 49 -11.838 3.439 -7.006 1.00 0.00 C ATOM 748 O ASP A 49 -11.699 4.498 -7.587 1.00 0.00 O ATOM 749 CB ASP A 49 -12.657 1.441 -8.384 1.00 0.00 C ATOM 750 CG ASP A 49 -13.678 2.474 -8.901 1.00 0.00 C ATOM 751 OD1 ASP A 49 -13.253 3.463 -9.471 1.00 0.00 O ATOM 752 OD2 ASP A 49 -14.864 2.251 -8.712 1.00 0.00 O ATOM 0 H ASP A 49 -11.597 0.390 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.674 2.300 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.296 0.842 -9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.153 0.758 -7.694 1.00 0.00 H new ATOM 757 N LEU A 50 -12.339 3.377 -5.800 1.00 0.00 N ATOM 758 CA LEU A 50 -12.759 4.616 -5.086 1.00 0.00 C ATOM 759 C LEU A 50 -11.568 5.191 -4.318 1.00 0.00 C ATOM 760 O LEU A 50 -11.464 6.385 -4.122 1.00 0.00 O ATOM 761 CB LEU A 50 -13.896 4.275 -4.113 1.00 0.00 C ATOM 762 CG LEU A 50 -15.015 3.524 -4.860 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.489 2.334 -4.023 1.00 0.00 C ATOM 764 CD2 LEU A 50 -16.192 4.466 -5.111 1.00 0.00 C ATOM 0 H LEU A 50 -12.476 2.513 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.109 5.357 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.516 3.661 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.292 5.188 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.626 3.166 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.280 1.807 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.654 1.656 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.871 2.691 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.981 3.930 -5.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.576 4.830 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.860 5.311 -5.715 1.00 0.00 H new ATOM 776 N LEU A 51 -10.659 4.347 -3.889 1.00 0.00 N ATOM 777 CA LEU A 51 -9.463 4.842 -3.145 1.00 0.00 C ATOM 778 C LEU A 51 -8.640 5.728 -4.079 1.00 0.00 C ATOM 779 O LEU A 51 -8.111 6.746 -3.680 1.00 0.00 O ATOM 780 CB LEU A 51 -8.614 3.651 -2.684 1.00 0.00 C ATOM 781 CG LEU A 51 -7.508 4.131 -1.746 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.009 4.096 -0.301 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.291 3.215 -1.883 1.00 0.00 C ATOM 0 H LEU A 51 -10.696 3.337 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.777 5.413 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.243 2.921 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.178 3.149 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.229 5.151 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.218 4.439 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.877 4.748 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.289 3.076 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.501 3.557 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.572 2.195 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.931 3.240 -2.912 1.00 0.00 H new ATOM 795 N ARG A 52 -8.543 5.347 -5.328 1.00 0.00 N ATOM 796 CA ARG A 52 -7.767 6.158 -6.312 1.00 0.00 C ATOM 797 C ARG A 52 -8.369 7.566 -6.419 1.00 0.00 C ATOM 798 O ARG A 52 -7.700 8.502 -6.816 1.00 0.00 O ATOM 799 CB ARG A 52 -7.814 5.476 -7.682 1.00 0.00 C ATOM 800 CG ARG A 52 -6.965 4.202 -7.649 1.00 0.00 C ATOM 801 CD ARG A 52 -7.533 3.182 -8.638 1.00 0.00 C ATOM 802 NE ARG A 52 -7.630 3.802 -9.995 1.00 0.00 N ATOM 803 CZ ARG A 52 -7.762 3.064 -11.081 1.00 0.00 C ATOM 804 NH1 ARG A 52 -7.818 1.752 -11.019 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.840 3.649 -12.243 1.00 0.00 N ATOM 0 H ARG A 52 -8.971 4.503 -5.709 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.733 6.236 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.844 5.233 -7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.442 6.154 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.931 4.435 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.958 3.783 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.893 2.300 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.517 2.849 -8.308 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.593 4.818 -10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.759 1.281 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.920 1.205 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.799 4.666 -12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.942 3.090 -13.090 1.00 0.00 H new ATOM 819 N MET A 53 -9.624 7.723 -6.068 1.00 0.00 N ATOM 820 CA MET A 53 -10.263 9.069 -6.151 1.00 0.00 C ATOM 821 C MET A 53 -10.554 9.627 -4.741 1.00 0.00 C ATOM 822 O MET A 53 -11.013 10.745 -4.600 1.00 0.00 O ATOM 823 CB MET A 53 -11.563 8.963 -6.978 1.00 0.00 C ATOM 824 CG MET A 53 -12.672 8.260 -6.182 1.00 0.00 C ATOM 825 SD MET A 53 -14.191 8.229 -7.165 1.00 0.00 S ATOM 826 CE MET A 53 -13.847 6.690 -8.050 1.00 0.00 C ATOM 0 H MET A 53 -10.230 6.976 -5.728 1.00 0.00 H new ATOM 0 HA MET A 53 -9.579 9.761 -6.643 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.895 9.960 -7.267 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.368 8.413 -7.898 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.367 7.244 -5.932 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.846 8.782 -5.241 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.224 6.765 -9.070 1.00 0.00 H new ATOM 0 HE2 MET A 53 -12.771 6.516 -8.072 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.338 5.860 -7.542 1.00 0.00 H new ATOM 836 N LYS A 54 -10.300 8.862 -3.700 1.00 0.00 N ATOM 837 CA LYS A 54 -10.575 9.360 -2.318 1.00 0.00 C ATOM 838 C LYS A 54 -9.262 9.687 -1.590 1.00 0.00 C ATOM 839 O LYS A 54 -9.259 10.411 -0.612 1.00 0.00 O ATOM 840 CB LYS A 54 -11.349 8.286 -1.536 1.00 0.00 C ATOM 841 CG LYS A 54 -12.757 8.793 -1.209 1.00 0.00 C ATOM 842 CD LYS A 54 -12.759 9.433 0.180 1.00 0.00 C ATOM 843 CE LYS A 54 -13.878 10.474 0.260 1.00 0.00 C ATOM 844 NZ LYS A 54 -15.199 9.789 0.164 1.00 0.00 N ATOM 0 H LYS A 54 -9.916 7.919 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.170 10.271 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.410 7.370 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.819 8.040 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.076 9.520 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.469 7.968 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.903 8.669 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.796 9.903 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.810 11.026 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.773 11.200 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.956 10.460 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.339 9.439 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.224 8.989 0.828 1.00 0.00 H new ATOM 858 N VAL A 55 -8.148 9.162 -2.049 1.00 0.00 N ATOM 859 CA VAL A 55 -6.841 9.447 -1.370 1.00 0.00 C ATOM 860 C VAL A 55 -6.589 10.958 -1.323 1.00 0.00 C ATOM 861 O VAL A 55 -7.179 11.718 -2.065 1.00 0.00 O ATOM 862 CB VAL A 55 -5.692 8.766 -2.124 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.701 7.261 -1.832 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.839 9.003 -3.632 1.00 0.00 C ATOM 0 H VAL A 55 -8.088 8.550 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.888 9.056 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.746 9.192 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.883 6.781 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.577 7.097 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.649 6.833 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.018 8.516 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.787 8.589 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.816 10.073 -3.836 1.00 0.00 H new ATOM 874 N GLU A 56 -5.712 11.390 -0.451 1.00 0.00 N ATOM 875 CA GLU A 56 -5.409 12.848 -0.340 1.00 0.00 C ATOM 876 C GLU A 56 -4.011 13.119 -0.897 1.00 0.00 C ATOM 877 O GLU A 56 -3.248 12.207 -1.146 1.00 0.00 O ATOM 878 CB GLU A 56 -5.464 13.269 1.134 1.00 0.00 C ATOM 879 CG GLU A 56 -6.132 14.641 1.251 1.00 0.00 C ATOM 880 CD GLU A 56 -7.617 14.518 0.910 1.00 0.00 C ATOM 881 OE1 GLU A 56 -8.356 14.014 1.741 1.00 0.00 O ATOM 882 OE2 GLU A 56 -7.992 14.927 -0.177 1.00 0.00 O ATOM 0 H GLU A 56 -5.191 10.792 0.191 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.144 13.419 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.020 12.532 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.457 13.307 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.012 15.031 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.651 15.350 0.577 1.00 0.00 H new ATOM 889 N GLU A 57 -3.669 14.364 -1.097 1.00 0.00 N ATOM 890 CA GLU A 57 -2.320 14.690 -1.640 1.00 0.00 C ATOM 891 C GLU A 57 -1.264 14.468 -0.559 1.00 0.00 C ATOM 892 O GLU A 57 -1.119 15.259 0.353 1.00 0.00 O ATOM 893 CB GLU A 57 -2.286 16.150 -2.098 1.00 0.00 C ATOM 894 CG GLU A 57 -0.977 16.419 -2.845 1.00 0.00 C ATOM 895 CD GLU A 57 -1.183 16.168 -4.339 1.00 0.00 C ATOM 896 OE1 GLU A 57 -1.663 15.100 -4.679 1.00 0.00 O ATOM 897 OE2 GLU A 57 -0.856 17.048 -5.119 1.00 0.00 O ATOM 0 H GLU A 57 -4.266 15.169 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.109 14.041 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.137 16.359 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.370 16.814 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.656 17.447 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.188 15.772 -2.462 1.00 0.00 H new ATOM 904 N GLY A 58 -0.526 13.393 -0.663 1.00 0.00 N ATOM 905 CA GLY A 58 0.531 13.104 0.346 1.00 0.00 C ATOM 906 C GLY A 58 -0.015 12.180 1.440 1.00 0.00 C ATOM 907 O GLY A 58 0.541 12.103 2.520 1.00 0.00 O ATOM 0 H GLY A 58 -0.612 12.701 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.388 12.637 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.884 14.035 0.790 1.00 0.00 H new ATOM 911 N ASP A 59 -1.094 11.476 1.178 1.00 0.00 N ATOM 912 CA ASP A 59 -1.652 10.562 2.223 1.00 0.00 C ATOM 913 C ASP A 59 -0.831 9.263 2.263 1.00 0.00 C ATOM 914 O ASP A 59 -0.008 9.018 1.401 1.00 0.00 O ATOM 915 CB ASP A 59 -3.133 10.256 1.928 1.00 0.00 C ATOM 916 CG ASP A 59 -3.271 9.360 0.691 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.165 9.876 -0.403 1.00 0.00 O ATOM 918 OD2 ASP A 59 -3.483 8.171 0.866 1.00 0.00 O ATOM 0 H ASP A 59 -1.605 11.495 0.296 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.591 11.049 3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.586 9.765 2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.676 11.188 1.770 1.00 0.00 H new ATOM 923 N VAL A 60 -1.059 8.431 3.247 1.00 0.00 N ATOM 924 CA VAL A 60 -0.304 7.141 3.335 1.00 0.00 C ATOM 925 C VAL A 60 -1.270 5.986 3.080 1.00 0.00 C ATOM 926 O VAL A 60 -2.218 5.784 3.816 1.00 0.00 O ATOM 927 CB VAL A 60 0.340 6.968 4.721 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.678 7.706 4.759 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.581 7.515 5.820 1.00 0.00 C ATOM 0 H VAL A 60 -1.735 8.588 3.994 1.00 0.00 H new ATOM 0 HA VAL A 60 0.490 7.149 2.588 1.00 0.00 H new ATOM 0 HB VAL A 60 0.500 5.905 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.134 7.583 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.341 7.296 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.514 8.766 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.106 7.382 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.764 8.576 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.528 6.976 5.803 1.00 0.00 H new ATOM 939 N ILE A 61 -1.037 5.233 2.038 1.00 0.00 N ATOM 940 CA ILE A 61 -1.937 4.092 1.713 1.00 0.00 C ATOM 941 C ILE A 61 -1.360 2.801 2.299 1.00 0.00 C ATOM 942 O ILE A 61 -0.493 2.175 1.718 1.00 0.00 O ATOM 943 CB ILE A 61 -2.054 3.972 0.192 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.572 5.300 -0.370 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.025 2.845 -0.173 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.601 5.244 -1.899 1.00 0.00 C ATOM 0 H ILE A 61 -0.256 5.362 1.395 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.925 4.262 2.142 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.076 3.743 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.572 5.502 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.933 6.119 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.101 2.768 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.658 1.903 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.008 3.062 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.970 6.192 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.594 5.063 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.259 4.437 -2.221 1.00 0.00 H new ATOM 958 N LEU A 62 -1.843 2.400 3.447 1.00 0.00 N ATOM 959 CA LEU A 62 -1.340 1.151 4.085 1.00 0.00 C ATOM 960 C LEU A 62 -2.009 -0.054 3.415 1.00 0.00 C ATOM 961 O LEU A 62 -3.216 -0.211 3.473 1.00 0.00 O ATOM 962 CB LEU A 62 -1.691 1.170 5.580 1.00 0.00 C ATOM 963 CG LEU A 62 -0.426 1.397 6.410 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.808 1.613 7.875 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.482 0.172 6.295 1.00 0.00 C ATOM 0 H LEU A 62 -2.569 2.889 3.971 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.258 1.082 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.415 1.959 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.159 0.227 5.865 1.00 0.00 H new ATOM 0 HG LEU A 62 0.100 2.277 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.093 1.775 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.457 2.485 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.333 0.734 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.384 0.331 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.044 -0.707 6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.754 0.018 5.251 1.00 0.00 H new ATOM 977 N VAL A 63 -1.240 -0.900 2.777 1.00 0.00 N ATOM 978 CA VAL A 63 -1.833 -2.089 2.099 1.00 0.00 C ATOM 979 C VAL A 63 -1.559 -3.347 2.934 1.00 0.00 C ATOM 980 O VAL A 63 -0.456 -3.572 3.399 1.00 0.00 O ATOM 981 CB VAL A 63 -1.231 -2.235 0.693 1.00 0.00 C ATOM 982 CG1 VAL A 63 0.285 -2.421 0.785 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.851 -3.445 -0.017 1.00 0.00 C ATOM 0 H VAL A 63 -0.227 -0.817 2.697 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.911 -1.958 2.006 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.447 -1.330 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.701 -2.523 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.729 -1.554 1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.507 -3.318 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.420 -3.543 -1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.646 -4.348 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.929 -3.305 -0.100 1.00 0.00 H new ATOM 993 N LYS A 64 -2.566 -4.161 3.126 1.00 0.00 N ATOM 994 CA LYS A 64 -2.394 -5.408 3.926 1.00 0.00 C ATOM 995 C LYS A 64 -3.409 -6.450 3.452 1.00 0.00 C ATOM 996 O LYS A 64 -4.605 -6.236 3.523 1.00 0.00 O ATOM 997 CB LYS A 64 -2.629 -5.101 5.407 1.00 0.00 C ATOM 998 CG LYS A 64 -1.927 -6.153 6.270 1.00 0.00 C ATOM 999 CD LYS A 64 -2.673 -7.485 6.161 1.00 0.00 C ATOM 1000 CE LYS A 64 -2.253 -8.402 7.313 1.00 0.00 C ATOM 1001 NZ LYS A 64 -2.337 -9.822 6.871 1.00 0.00 N ATOM 0 H LYS A 64 -3.506 -4.013 2.759 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.383 -5.794 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.250 -4.108 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.698 -5.095 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.894 -6.275 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.897 -5.825 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.749 -7.315 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.453 -7.960 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.236 -8.167 7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.899 -8.239 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.455 -10.315 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.137 -10.287 7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.478 -9.857 5.841 1.00 0.00 H new ATOM 1015 N LYS A 65 -2.942 -7.572 2.964 1.00 0.00 N ATOM 1016 CA LYS A 65 -3.879 -8.627 2.478 1.00 0.00 C ATOM 1017 C LYS A 65 -3.482 -9.982 3.069 1.00 0.00 C ATOM 1018 O LYS A 65 -2.466 -10.108 3.727 1.00 0.00 O ATOM 1019 CB LYS A 65 -3.816 -8.695 0.947 1.00 0.00 C ATOM 1020 CG LYS A 65 -5.230 -8.822 0.375 1.00 0.00 C ATOM 1021 CD LYS A 65 -5.972 -7.494 0.547 1.00 0.00 C ATOM 1022 CE LYS A 65 -5.401 -6.454 -0.423 1.00 0.00 C ATOM 1023 NZ LYS A 65 -5.302 -5.132 0.263 1.00 0.00 N ATOM 0 H LYS A 65 -1.952 -7.802 2.882 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.894 -8.384 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.334 -7.800 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.210 -9.546 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.184 -9.091 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.769 -9.621 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.037 -7.634 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.873 -7.141 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.418 -6.769 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.040 -6.372 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.740 -4.399 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.795 -5.178 1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.301 -4.897 0.421 1.00 0.00 H new ATOM 1037 N LEU A 66 -4.279 -10.994 2.836 1.00 0.00 N ATOM 1038 CA LEU A 66 -3.959 -12.347 3.376 1.00 0.00 C ATOM 1039 C LEU A 66 -2.669 -12.855 2.730 1.00 0.00 C ATOM 1040 O LEU A 66 -1.897 -13.570 3.342 1.00 0.00 O ATOM 1041 CB LEU A 66 -5.106 -13.315 3.051 1.00 0.00 C ATOM 1042 CG LEU A 66 -6.276 -13.119 4.028 1.00 0.00 C ATOM 1043 CD1 LEU A 66 -5.811 -13.382 5.463 1.00 0.00 C ATOM 1044 CD2 LEU A 66 -6.811 -11.687 3.918 1.00 0.00 C ATOM 0 H LEU A 66 -5.141 -10.939 2.293 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.831 -12.287 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.448 -13.151 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.748 -14.343 3.107 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.069 -13.822 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.647 -13.241 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.444 -14.405 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.011 -12.688 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.640 -11.554 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.016 -10.982 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.157 -11.505 2.901 1.00 0.00 H new ATOM 1056 N ASP A 67 -2.430 -12.487 1.495 1.00 0.00 N ATOM 1057 CA ASP A 67 -1.192 -12.941 0.799 1.00 0.00 C ATOM 1058 C ASP A 67 -0.618 -11.786 -0.023 1.00 0.00 C ATOM 1059 O ASP A 67 0.571 -11.525 0.007 1.00 0.00 O ATOM 1060 CB ASP A 67 -1.528 -14.110 -0.130 1.00 0.00 C ATOM 1061 CG ASP A 67 -1.487 -15.420 0.660 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -0.602 -15.563 1.486 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.344 -16.257 0.425 1.00 0.00 O ATOM 0 H ASP A 67 -3.043 -11.890 0.940 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.457 -13.263 1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.516 -13.968 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.817 -14.148 -0.955 1.00 0.00 H new ATOM 1068 N ARG A 68 -1.454 -11.094 -0.758 1.00 0.00 N ATOM 1069 CA ARG A 68 -0.964 -9.952 -1.586 1.00 0.00 C ATOM 1070 C ARG A 68 -2.148 -9.283 -2.289 1.00 0.00 C ATOM 1071 O ARG A 68 -3.294 -9.619 -2.053 1.00 0.00 O ATOM 1072 CB ARG A 68 0.027 -10.469 -2.634 1.00 0.00 C ATOM 1073 CG ARG A 68 -0.625 -11.591 -3.447 1.00 0.00 C ATOM 1074 CD ARG A 68 0.459 -12.400 -4.161 1.00 0.00 C ATOM 1075 NE ARG A 68 0.886 -11.678 -5.400 1.00 0.00 N ATOM 1076 CZ ARG A 68 1.850 -12.143 -6.169 1.00 0.00 C ATOM 1077 NH1 ARG A 68 2.482 -13.258 -5.882 1.00 0.00 N ATOM 1078 NH2 ARG A 68 2.186 -11.479 -7.241 1.00 0.00 N ATOM 0 H ARG A 68 -2.456 -11.272 -0.819 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.467 -9.225 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.330 -9.657 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.929 -10.837 -2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.205 -12.240 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.319 -11.171 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.313 -12.546 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.080 -13.390 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 68 0.421 -10.807 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.230 -13.786 -5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.225 -13.596 -6.495 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.704 -10.611 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.930 -11.828 -7.845 1.00 0.00 H new ATOM 1092 N LEU A 69 -1.876 -8.337 -3.154 1.00 0.00 N ATOM 1093 CA LEU A 69 -2.977 -7.637 -3.884 1.00 0.00 C ATOM 1094 C LEU A 69 -2.752 -7.773 -5.392 1.00 0.00 C ATOM 1095 O LEU A 69 -2.910 -6.826 -6.143 1.00 0.00 O ATOM 1096 CB LEU A 69 -3.002 -6.151 -3.499 1.00 0.00 C ATOM 1097 CG LEU A 69 -1.588 -5.563 -3.567 1.00 0.00 C ATOM 1098 CD1 LEU A 69 -1.674 -4.081 -3.938 1.00 0.00 C ATOM 1099 CD2 LEU A 69 -0.908 -5.707 -2.201 1.00 0.00 C ATOM 0 H LEU A 69 -0.935 -8.019 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.931 -8.089 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.664 -5.605 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.404 -6.035 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.007 -6.096 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.670 -3.659 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.160 -3.976 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.254 -3.550 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.097 -5.289 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.487 -5.173 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.850 -6.762 -1.933 1.00 0.00 H new ATOM 1111 N GLY A 70 -2.384 -8.947 -5.839 1.00 0.00 N ATOM 1112 CA GLY A 70 -2.146 -9.157 -7.299 1.00 0.00 C ATOM 1113 C GLY A 70 -2.489 -10.601 -7.670 1.00 0.00 C ATOM 1114 O GLY A 70 -3.011 -11.349 -6.865 1.00 0.00 O ATOM 0 H GLY A 70 -2.238 -9.770 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.756 -8.466 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.105 -8.945 -7.543 1.00 0.00 H new ATOM 1118 N ARG A 71 -2.200 -10.993 -8.885 1.00 0.00 N ATOM 1119 CA ARG A 71 -2.508 -12.387 -9.321 1.00 0.00 C ATOM 1120 C ARG A 71 -1.731 -12.701 -10.602 1.00 0.00 C ATOM 1121 O ARG A 71 -0.869 -13.558 -10.621 1.00 0.00 O ATOM 1122 CB ARG A 71 -4.009 -12.521 -9.586 1.00 0.00 C ATOM 1123 CG ARG A 71 -4.381 -14.001 -9.702 1.00 0.00 C ATOM 1124 CD ARG A 71 -4.831 -14.529 -8.337 1.00 0.00 C ATOM 1125 NE ARG A 71 -3.681 -15.208 -7.661 1.00 0.00 N ATOM 1126 CZ ARG A 71 -3.300 -16.422 -8.005 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -3.909 -17.091 -8.958 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -2.292 -16.973 -7.384 1.00 0.00 N ATOM 0 H ARG A 71 -1.763 -10.405 -9.595 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.217 -13.087 -8.538 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.574 -12.056 -8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.275 -11.996 -10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.179 -14.129 -10.433 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.526 -14.574 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.196 -13.708 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.658 -15.228 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.181 -14.720 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.697 -16.672 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.593 -18.029 -9.204 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.810 -16.464 -6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.987 -17.912 -7.640 1.00 0.00 H new ATOM 1142 N ASP A 72 -2.032 -12.007 -11.671 1.00 0.00 N ATOM 1143 CA ASP A 72 -1.317 -12.254 -12.957 1.00 0.00 C ATOM 1144 C ASP A 72 -0.944 -10.914 -13.596 1.00 0.00 C ATOM 1145 O ASP A 72 0.217 -10.622 -13.811 1.00 0.00 O ATOM 1146 CB ASP A 72 -2.229 -13.035 -13.907 1.00 0.00 C ATOM 1147 CG ASP A 72 -1.375 -13.837 -14.891 1.00 0.00 C ATOM 1148 OD1 ASP A 72 -0.384 -13.301 -15.360 1.00 0.00 O ATOM 1149 OD2 ASP A 72 -1.728 -14.973 -15.161 1.00 0.00 O ATOM 0 H ASP A 72 -2.745 -11.278 -11.707 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.413 -12.832 -12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.875 -13.705 -13.339 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.880 -12.349 -14.449 1.00 0.00 H new ATOM 1154 N THR A 73 -1.923 -10.099 -13.896 1.00 0.00 N ATOM 1155 CA THR A 73 -1.638 -8.773 -14.517 1.00 0.00 C ATOM 1156 C THR A 73 -1.001 -7.853 -13.474 1.00 0.00 C ATOM 1157 O THR A 73 -0.973 -8.162 -12.297 1.00 0.00 O ATOM 1158 CB THR A 73 -2.945 -8.153 -15.016 1.00 0.00 C ATOM 1159 OG1 THR A 73 -3.751 -9.163 -15.606 1.00 0.00 O ATOM 1160 CG2 THR A 73 -2.638 -7.072 -16.054 1.00 0.00 C ATOM 0 H THR A 73 -2.911 -10.297 -13.736 1.00 0.00 H new ATOM 0 HA THR A 73 -0.954 -8.901 -15.356 1.00 0.00 H new ATOM 0 HB THR A 73 -3.478 -7.705 -14.177 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.589 -8.768 -15.925 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.570 -6.632 -16.408 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.020 -6.297 -15.600 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.104 -7.516 -16.894 1.00 0.00 H new ATOM 1168 N ALA A 74 -0.489 -6.724 -13.898 1.00 0.00 N ATOM 1169 CA ALA A 74 0.148 -5.777 -12.936 1.00 0.00 C ATOM 1170 C ALA A 74 -0.937 -5.101 -12.090 1.00 0.00 C ATOM 1171 O ALA A 74 -1.145 -3.904 -12.168 1.00 0.00 O ATOM 1172 CB ALA A 74 0.939 -4.721 -13.712 1.00 0.00 C ATOM 0 H ALA A 74 -0.486 -6.418 -14.871 1.00 0.00 H new ATOM 0 HA ALA A 74 0.826 -6.321 -12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.405 -4.028 -13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.711 -5.209 -14.307 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.265 -4.173 -14.370 1.00 0.00 H new ATOM 1178 N ASP A 75 -1.630 -5.865 -11.283 1.00 0.00 N ATOM 1179 CA ASP A 75 -2.703 -5.277 -10.425 1.00 0.00 C ATOM 1180 C ASP A 75 -2.057 -4.550 -9.249 1.00 0.00 C ATOM 1181 O ASP A 75 -2.400 -3.426 -8.938 1.00 0.00 O ATOM 1182 CB ASP A 75 -3.617 -6.387 -9.890 1.00 0.00 C ATOM 1183 CG ASP A 75 -4.043 -7.309 -11.037 1.00 0.00 C ATOM 1184 OD1 ASP A 75 -4.500 -6.794 -12.045 1.00 0.00 O ATOM 1185 OD2 ASP A 75 -3.906 -8.511 -10.887 1.00 0.00 O ATOM 0 H ASP A 75 -1.499 -6.871 -11.182 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.296 -4.581 -11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.096 -6.962 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.496 -5.950 -9.417 1.00 0.00 H new ATOM 1190 N MET A 76 -1.121 -5.190 -8.596 1.00 0.00 N ATOM 1191 CA MET A 76 -0.438 -4.551 -7.436 1.00 0.00 C ATOM 1192 C MET A 76 0.318 -3.308 -7.912 1.00 0.00 C ATOM 1193 O MET A 76 0.379 -2.311 -7.222 1.00 0.00 O ATOM 1194 CB MET A 76 0.547 -5.549 -6.816 1.00 0.00 C ATOM 1195 CG MET A 76 1.203 -4.934 -5.568 1.00 0.00 C ATOM 1196 SD MET A 76 2.934 -4.522 -5.913 1.00 0.00 S ATOM 1197 CE MET A 76 3.670 -5.992 -5.155 1.00 0.00 C ATOM 0 H MET A 76 -0.800 -6.132 -8.819 1.00 0.00 H new ATOM 0 HA MET A 76 -1.177 -4.259 -6.690 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.026 -6.468 -6.548 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.312 -5.818 -7.544 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.661 -4.038 -5.267 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.147 -5.635 -4.735 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.755 -5.948 -5.254 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.403 -6.029 -4.099 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.296 -6.885 -5.656 1.00 0.00 H new ATOM 1207 N ILE A 77 0.894 -3.367 -9.086 1.00 0.00 N ATOM 1208 CA ILE A 77 1.653 -2.193 -9.614 1.00 0.00 C ATOM 1209 C ILE A 77 0.685 -1.170 -10.226 1.00 0.00 C ATOM 1210 O ILE A 77 1.017 -0.009 -10.368 1.00 0.00 O ATOM 1211 CB ILE A 77 2.648 -2.679 -10.676 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.605 -3.691 -10.040 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.457 -1.496 -11.220 1.00 0.00 C ATOM 1214 CD1 ILE A 77 3.081 -5.108 -10.275 1.00 0.00 C ATOM 0 H ILE A 77 0.871 -4.179 -9.703 1.00 0.00 H new ATOM 0 HA ILE A 77 2.194 -1.711 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 77 2.099 -3.144 -11.495 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.601 -3.585 -10.469 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.696 -3.499 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.160 -1.852 -11.973 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.781 -0.769 -11.670 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.006 -1.025 -10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.763 -5.828 -9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.094 -5.210 -9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.012 -5.298 -11.346 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.507 -1.586 -10.588 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.488 -0.631 -11.189 1.00 0.00 C ATOM 1228 C GLN A 78 -1.792 0.491 -10.192 1.00 0.00 C ATOM 1229 O GLN A 78 -1.423 1.631 -10.405 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.782 -1.382 -11.538 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.139 -1.151 -13.010 1.00 0.00 C ATOM 1232 CD GLN A 78 -2.352 -2.130 -13.885 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -2.857 -3.170 -14.255 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -1.129 -1.837 -14.230 1.00 0.00 N ATOM 0 H GLN A 78 -0.841 -2.545 -10.492 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.066 -0.197 -12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.656 -2.448 -11.348 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.596 -1.038 -10.899 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.209 -1.290 -13.162 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.907 -0.125 -13.295 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.707 -0.963 -13.918 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.595 -2.482 -14.812 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.465 0.177 -9.112 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.794 1.236 -8.111 1.00 0.00 C ATOM 1245 C LEU A 79 -1.511 1.862 -7.539 1.00 0.00 C ATOM 1246 O LEU A 79 -1.561 2.914 -6.932 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.713 0.675 -6.991 1.00 0.00 C ATOM 1248 CG LEU A 79 -2.994 -0.261 -5.982 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.131 -1.303 -6.695 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.130 0.552 -5.013 1.00 0.00 C ATOM 0 H LEU A 79 -2.798 -0.759 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.347 2.028 -8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.151 1.510 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.536 0.129 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.767 -0.786 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.644 -1.939 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.759 -1.914 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.374 -0.799 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.635 -0.122 -4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.379 1.109 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.760 1.249 -4.460 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.365 1.249 -7.739 1.00 0.00 N ATOM 1263 CA ILE A 80 0.899 1.841 -7.214 1.00 0.00 C ATOM 1264 C ILE A 80 1.336 2.959 -8.170 1.00 0.00 C ATOM 1265 O ILE A 80 1.811 3.995 -7.744 1.00 0.00 O ATOM 1266 CB ILE A 80 1.969 0.734 -7.109 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.643 -0.153 -5.904 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.371 1.333 -6.913 1.00 0.00 C ATOM 1269 CD1 ILE A 80 2.579 -1.364 -5.887 1.00 0.00 C ATOM 0 H ILE A 80 -0.256 0.368 -8.242 1.00 0.00 H new ATOM 0 HA ILE A 80 0.756 2.264 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 80 1.963 0.157 -8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.752 0.416 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.606 -0.484 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.104 0.529 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.615 1.973 -7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.390 1.923 -5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.344 -1.993 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.448 -1.938 -6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.612 -1.024 -5.816 1.00 0.00 H new ATOM 1281 N LYS A 81 1.164 2.761 -9.454 1.00 0.00 N ATOM 1282 CA LYS A 81 1.553 3.817 -10.433 1.00 0.00 C ATOM 1283 C LYS A 81 0.530 4.956 -10.370 1.00 0.00 C ATOM 1284 O LYS A 81 0.845 6.101 -10.642 1.00 0.00 O ATOM 1285 CB LYS A 81 1.579 3.219 -11.848 1.00 0.00 C ATOM 1286 CG LYS A 81 2.999 3.299 -12.421 1.00 0.00 C ATOM 1287 CD LYS A 81 3.700 1.953 -12.239 1.00 0.00 C ATOM 1288 CE LYS A 81 3.223 0.981 -13.322 1.00 0.00 C ATOM 1289 NZ LYS A 81 3.515 1.552 -14.667 1.00 0.00 N ATOM 0 H LYS A 81 0.771 1.914 -9.864 1.00 0.00 H new ATOM 0 HA LYS A 81 2.544 4.202 -10.190 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.246 2.181 -11.820 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.886 3.759 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.961 3.561 -13.478 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.562 4.085 -11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.781 2.082 -12.301 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.483 1.548 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.722 0.019 -13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.153 0.799 -13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.632 0.780 -15.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.727 2.163 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.390 2.113 -14.624 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.693 4.646 -10.020 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.748 5.696 -9.942 1.00 0.00 C ATOM 1305 C GLU A 82 -1.507 6.583 -8.714 1.00 0.00 C ATOM 1306 O GLU A 82 -1.674 7.788 -8.772 1.00 0.00 O ATOM 1307 CB GLU A 82 -3.122 5.016 -9.833 1.00 0.00 C ATOM 1308 CG GLU A 82 -4.084 5.616 -10.863 1.00 0.00 C ATOM 1309 CD GLU A 82 -4.472 7.032 -10.437 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -5.351 7.158 -9.600 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.886 7.968 -10.956 1.00 0.00 O ATOM 0 H GLU A 82 -1.005 3.704 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.716 6.317 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.021 3.943 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.523 5.147 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.614 5.637 -11.846 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.975 4.994 -10.949 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.119 5.998 -7.607 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.870 6.808 -6.376 1.00 0.00 C ATOM 1320 C PHE A 83 0.504 7.478 -6.467 1.00 0.00 C ATOM 1321 O PHE A 83 0.720 8.541 -5.917 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.917 5.901 -5.142 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.340 5.452 -4.887 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.375 6.393 -4.826 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.619 4.092 -4.713 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.688 5.972 -4.590 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.934 3.670 -4.478 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.969 4.611 -4.418 1.00 0.00 C ATOM 0 H PHE A 83 -0.964 4.995 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.640 7.574 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.274 5.034 -5.293 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.533 6.435 -4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.160 7.443 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.820 3.367 -4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.486 6.698 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.149 2.620 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.984 4.287 -4.239 1.00 0.00 H new ATOM 1338 N ASP A 84 1.432 6.864 -7.160 1.00 0.00 N ATOM 1339 CA ASP A 84 2.796 7.464 -7.292 1.00 0.00 C ATOM 1340 C ASP A 84 2.691 8.814 -8.001 1.00 0.00 C ATOM 1341 O ASP A 84 3.380 9.759 -7.663 1.00 0.00 O ATOM 1342 CB ASP A 84 3.688 6.529 -8.114 1.00 0.00 C ATOM 1343 CG ASP A 84 5.155 6.799 -7.782 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.491 6.779 -6.609 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.920 7.023 -8.706 1.00 0.00 O ATOM 0 H ASP A 84 1.304 5.973 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 84 3.228 7.603 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.441 5.490 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.511 6.683 -9.178 1.00 0.00 H new ATOM 1350 N ALA A 85 1.835 8.904 -8.984 1.00 0.00 N ATOM 1351 CA ALA A 85 1.672 10.186 -9.732 1.00 0.00 C ATOM 1352 C ALA A 85 0.780 11.149 -8.940 1.00 0.00 C ATOM 1353 O ALA A 85 0.838 12.349 -9.128 1.00 0.00 O ATOM 1354 CB ALA A 85 1.029 9.901 -11.091 1.00 0.00 C ATOM 0 H ALA A 85 1.238 8.141 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 85 2.651 10.643 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.909 10.835 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.667 9.225 -11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.053 9.439 -10.942 1.00 0.00 H new ATOM 1360 N GLN A 86 -0.051 10.635 -8.064 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.951 11.521 -7.271 1.00 0.00 C ATOM 1362 C GLN A 86 -0.197 12.118 -6.069 1.00 0.00 C ATOM 1363 O GLN A 86 -0.768 12.858 -5.289 1.00 0.00 O ATOM 1364 CB GLN A 86 -2.149 10.700 -6.774 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.416 11.118 -7.528 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.974 12.405 -6.918 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -3.893 13.460 -7.515 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.539 12.362 -5.742 1.00 0.00 N ATOM 0 H GLN A 86 -0.142 9.638 -7.866 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.296 12.339 -7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.960 9.637 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.286 10.851 -5.703 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.190 11.272 -8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.162 10.325 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.607 11.476 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.913 13.214 -5.324 1.00 0.00 H new ATOM 1377 N GLY A 87 1.072 11.810 -5.908 1.00 0.00 N ATOM 1378 CA GLY A 87 1.838 12.371 -4.753 1.00 0.00 C ATOM 1379 C GLY A 87 1.382 11.689 -3.464 1.00 0.00 C ATOM 1380 O GLY A 87 1.363 12.290 -2.405 1.00 0.00 O ATOM 0 H GLY A 87 1.605 11.197 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.907 12.216 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.678 13.447 -4.685 1.00 0.00 H new ATOM 1384 N VAL A 88 1.012 10.439 -3.549 1.00 0.00 N ATOM 1385 CA VAL A 88 0.550 9.700 -2.338 1.00 0.00 C ATOM 1386 C VAL A 88 1.564 8.606 -1.993 1.00 0.00 C ATOM 1387 O VAL A 88 2.283 8.118 -2.845 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.830 9.086 -2.621 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.277 8.198 -1.451 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.845 10.214 -2.804 1.00 0.00 C ATOM 0 H VAL A 88 1.010 9.894 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 88 0.469 10.381 -1.491 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.768 8.476 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.256 7.773 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.556 7.393 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.337 8.797 -0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.828 9.789 -3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.888 10.815 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.543 10.843 -3.641 1.00 0.00 H new ATOM 1400 N SER A 89 1.617 8.220 -0.744 1.00 0.00 N ATOM 1401 CA SER A 89 2.570 7.158 -0.323 1.00 0.00 C ATOM 1402 C SER A 89 1.808 5.847 -0.121 1.00 0.00 C ATOM 1403 O SER A 89 0.599 5.841 0.007 1.00 0.00 O ATOM 1404 CB SER A 89 3.243 7.566 0.989 1.00 0.00 C ATOM 1405 OG SER A 89 4.395 8.348 0.700 1.00 0.00 O ATOM 0 H SER A 89 1.036 8.599 0.004 1.00 0.00 H new ATOM 0 HA SER A 89 3.331 7.024 -1.092 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.548 8.135 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.524 6.680 1.559 1.00 0.00 H new ATOM 0 HG SER A 89 4.829 8.613 1.538 1.00 0.00 H new ATOM 1411 N ILE A 90 2.508 4.743 -0.093 1.00 0.00 N ATOM 1412 CA ILE A 90 1.829 3.430 0.101 1.00 0.00 C ATOM 1413 C ILE A 90 2.663 2.559 1.043 1.00 0.00 C ATOM 1414 O ILE A 90 3.642 1.957 0.642 1.00 0.00 O ATOM 1415 CB ILE A 90 1.673 2.726 -1.248 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.976 3.675 -2.235 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.838 1.455 -1.059 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.761 2.978 -3.582 1.00 0.00 C ATOM 0 H ILE A 90 3.522 4.695 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 90 0.843 3.593 0.536 1.00 0.00 H new ATOM 0 HB ILE A 90 2.652 2.455 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.017 3.995 -1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.579 4.572 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.724 0.949 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.340 0.791 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.145 1.720 -0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.266 3.663 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.725 2.680 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.139 2.094 -3.439 1.00 0.00 H new ATOM 1430 N ARG A 91 2.279 2.492 2.291 1.00 0.00 N ATOM 1431 CA ARG A 91 3.039 1.665 3.272 1.00 0.00 C ATOM 1432 C ARG A 91 2.630 0.198 3.128 1.00 0.00 C ATOM 1433 O ARG A 91 1.475 -0.152 3.287 1.00 0.00 O ATOM 1434 CB ARG A 91 2.726 2.151 4.691 1.00 0.00 C ATOM 1435 CG ARG A 91 3.327 3.548 4.906 1.00 0.00 C ATOM 1436 CD ARG A 91 4.128 3.574 6.211 1.00 0.00 C ATOM 1437 NE ARG A 91 5.349 4.423 6.028 1.00 0.00 N ATOM 1438 CZ ARG A 91 6.373 4.341 6.854 1.00 0.00 C ATOM 1439 NH1 ARG A 91 6.370 3.518 7.877 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.417 5.098 6.651 1.00 0.00 N ATOM 0 H ARG A 91 1.468 2.977 2.674 1.00 0.00 H new ATOM 0 HA ARG A 91 4.108 1.760 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.647 2.181 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.133 1.453 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.972 3.809 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.533 4.294 4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.514 3.970 7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.415 2.561 6.495 1.00 0.00 H new ATOM 0 HE ARG A 91 5.389 5.078 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.561 2.921 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.177 3.476 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.433 5.743 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.216 5.045 7.283 1.00 0.00 H new ATOM 1454 N PHE A 92 3.570 -0.662 2.824 1.00 0.00 N ATOM 1455 CA PHE A 92 3.243 -2.109 2.663 1.00 0.00 C ATOM 1456 C PHE A 92 3.451 -2.833 3.992 1.00 0.00 C ATOM 1457 O PHE A 92 4.391 -2.556 4.717 1.00 0.00 O ATOM 1458 CB PHE A 92 4.157 -2.724 1.603 1.00 0.00 C ATOM 1459 CG PHE A 92 3.476 -2.680 0.255 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.080 -1.452 -0.290 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.241 -3.866 -0.449 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.451 -1.413 -1.540 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.612 -3.827 -1.699 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.216 -2.600 -2.245 1.00 0.00 C ATOM 0 H PHE A 92 4.551 -0.422 2.680 1.00 0.00 H new ATOM 0 HA PHE A 92 2.203 -2.211 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.100 -2.180 1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.395 -3.754 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.260 -0.536 0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.545 -4.813 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.147 -0.466 -1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.432 -4.743 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.730 -2.569 -3.209 1.00 0.00 H new ATOM 1474 N ILE A 93 2.576 -3.756 4.315 1.00 0.00 N ATOM 1475 CA ILE A 93 2.702 -4.512 5.596 1.00 0.00 C ATOM 1476 C ILE A 93 3.990 -5.352 5.576 1.00 0.00 C ATOM 1477 O ILE A 93 3.967 -6.546 5.340 1.00 0.00 O ATOM 1478 CB ILE A 93 1.470 -5.417 5.769 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.584 -6.213 7.075 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.363 -6.386 4.588 1.00 0.00 C ATOM 1481 CD1 ILE A 93 1.451 -5.263 8.267 1.00 0.00 C ATOM 0 H ILE A 93 1.775 -4.018 3.740 1.00 0.00 H new ATOM 0 HA ILE A 93 2.755 -3.818 6.435 1.00 0.00 H new ATOM 0 HB ILE A 93 0.577 -4.792 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.807 -6.976 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.542 -6.731 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.488 -7.023 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.265 -5.821 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.259 -7.005 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.532 -5.830 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.244 -4.516 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.482 -4.765 8.229 1.00 0.00 H new ATOM 1493 N ASP A 94 5.110 -4.726 5.822 1.00 0.00 N ATOM 1494 CA ASP A 94 6.410 -5.455 5.823 1.00 0.00 C ATOM 1495 C ASP A 94 7.526 -4.467 6.162 1.00 0.00 C ATOM 1496 O ASP A 94 8.436 -4.776 6.907 1.00 0.00 O ATOM 1497 CB ASP A 94 6.668 -6.057 4.438 1.00 0.00 C ATOM 1498 CG ASP A 94 7.537 -7.308 4.577 1.00 0.00 C ATOM 1499 OD1 ASP A 94 8.707 -7.160 4.892 1.00 0.00 O ATOM 1500 OD2 ASP A 94 7.018 -8.391 4.369 1.00 0.00 O ATOM 0 H ASP A 94 5.179 -3.729 6.025 1.00 0.00 H new ATOM 0 HA ASP A 94 6.382 -6.257 6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.723 -6.310 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 94 7.164 -5.326 3.799 1.00 0.00 H new ATOM 1505 N ASP A 95 7.455 -3.276 5.619 1.00 0.00 N ATOM 1506 CA ASP A 95 8.509 -2.255 5.907 1.00 0.00 C ATOM 1507 C ASP A 95 8.093 -0.889 5.345 1.00 0.00 C ATOM 1508 O ASP A 95 8.929 -0.077 4.998 1.00 0.00 O ATOM 1509 CB ASP A 95 9.830 -2.690 5.261 1.00 0.00 C ATOM 1510 CG ASP A 95 10.714 -3.376 6.306 1.00 0.00 C ATOM 1511 OD1 ASP A 95 11.232 -2.681 7.163 1.00 0.00 O ATOM 1512 OD2 ASP A 95 10.856 -4.587 6.229 1.00 0.00 O ATOM 0 H ASP A 95 6.714 -2.968 4.990 1.00 0.00 H new ATOM 0 HA ASP A 95 8.635 -2.171 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.634 -3.371 4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.346 -1.824 4.846 1.00 0.00 H new ATOM 1517 N GLY A 96 6.811 -0.623 5.259 1.00 0.00 N ATOM 1518 CA GLY A 96 6.337 0.696 4.726 1.00 0.00 C ATOM 1519 C GLY A 96 6.971 0.984 3.358 1.00 0.00 C ATOM 1520 O GLY A 96 7.151 2.127 2.982 1.00 0.00 O ATOM 0 H GLY A 96 6.069 -1.265 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.251 0.689 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.593 1.491 5.426 1.00 0.00 H new ATOM 1524 N ILE A 97 7.307 -0.042 2.614 1.00 0.00 N ATOM 1525 CA ILE A 97 7.927 0.176 1.275 1.00 0.00 C ATOM 1526 C ILE A 97 7.527 -0.957 0.326 1.00 0.00 C ATOM 1527 O ILE A 97 7.156 -2.034 0.750 1.00 0.00 O ATOM 1528 CB ILE A 97 9.449 0.211 1.414 1.00 0.00 C ATOM 1529 CG1 ILE A 97 9.933 -1.069 2.099 1.00 0.00 C ATOM 1530 CG2 ILE A 97 9.854 1.424 2.256 1.00 0.00 C ATOM 1531 CD1 ILE A 97 11.463 -1.095 2.123 1.00 0.00 C ATOM 0 H ILE A 97 7.178 -1.019 2.878 1.00 0.00 H new ATOM 0 HA ILE A 97 7.577 1.125 0.869 1.00 0.00 H new ATOM 0 HB ILE A 97 9.901 0.284 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.543 -1.119 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.553 -1.942 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.939 1.451 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.512 2.336 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.400 1.349 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 97 11.804 -2.008 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.843 -1.066 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 97 11.833 -0.230 2.673 1.00 0.00 H new ATOM 1543 N SER A 98 7.603 -0.713 -0.957 1.00 0.00 N ATOM 1544 CA SER A 98 7.231 -1.761 -1.952 1.00 0.00 C ATOM 1545 C SER A 98 7.851 -1.416 -3.302 1.00 0.00 C ATOM 1546 O SER A 98 8.759 -2.079 -3.766 1.00 0.00 O ATOM 1547 CB SER A 98 5.716 -1.807 -2.098 1.00 0.00 C ATOM 1548 OG SER A 98 5.172 -0.527 -1.799 1.00 0.00 O ATOM 0 H SER A 98 7.909 0.173 -1.360 1.00 0.00 H new ATOM 0 HA SER A 98 7.597 -2.730 -1.613 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.446 -2.101 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.298 -2.557 -1.427 1.00 0.00 H new ATOM 0 HG SER A 98 4.262 -0.632 -1.452 1.00 0.00 H new ATOM 1554 N THR A 99 7.378 -0.365 -3.925 1.00 0.00 N ATOM 1555 CA THR A 99 7.949 0.052 -5.237 1.00 0.00 C ATOM 1556 C THR A 99 9.008 1.129 -4.987 1.00 0.00 C ATOM 1557 O THR A 99 9.174 2.044 -5.771 1.00 0.00 O ATOM 1558 CB THR A 99 6.836 0.603 -6.146 1.00 0.00 C ATOM 1559 OG1 THR A 99 7.375 0.884 -7.428 1.00 0.00 O ATOM 1560 CG2 THR A 99 6.244 1.887 -5.549 1.00 0.00 C ATOM 0 H THR A 99 6.619 0.222 -3.578 1.00 0.00 H new ATOM 0 HA THR A 99 8.404 -0.805 -5.734 1.00 0.00 H new ATOM 0 HB THR A 99 6.045 -0.143 -6.230 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.151 1.476 -7.334 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.458 2.264 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.825 1.672 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 99 7.028 2.638 -5.453 1.00 0.00 H new ATOM 1568 N ASP A 100 9.718 1.026 -3.889 1.00 0.00 N ATOM 1569 CA ASP A 100 10.769 2.028 -3.547 1.00 0.00 C ATOM 1570 C ASP A 100 11.694 2.261 -4.751 1.00 0.00 C ATOM 1571 O ASP A 100 12.280 3.317 -4.898 1.00 0.00 O ATOM 1572 CB ASP A 100 11.568 1.489 -2.357 1.00 0.00 C ATOM 1573 CG ASP A 100 12.614 2.520 -1.921 1.00 0.00 C ATOM 1574 OD1 ASP A 100 12.276 3.690 -1.861 1.00 0.00 O ATOM 1575 OD2 ASP A 100 13.736 2.119 -1.656 1.00 0.00 O ATOM 0 H ASP A 100 9.609 0.276 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 100 10.310 2.982 -3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.896 1.266 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.058 0.554 -2.630 1.00 0.00 H new ATOM 1580 N GLY A 101 11.807 1.287 -5.621 1.00 0.00 N ATOM 1581 CA GLY A 101 12.666 1.451 -6.825 1.00 0.00 C ATOM 1582 C GLY A 101 12.672 0.147 -7.626 1.00 0.00 C ATOM 1583 O GLY A 101 13.656 -0.569 -7.658 1.00 0.00 O ATOM 0 H GLY A 101 11.338 0.384 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.294 2.268 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.681 1.713 -6.528 1.00 0.00 H new ATOM 1587 N GLU A 102 11.576 -0.163 -8.271 1.00 0.00 N ATOM 1588 CA GLU A 102 11.499 -1.419 -9.073 1.00 0.00 C ATOM 1589 C GLU A 102 12.281 -1.245 -10.377 1.00 0.00 C ATOM 1590 O GLU A 102 12.645 -0.147 -10.752 1.00 0.00 O ATOM 1591 CB GLU A 102 10.034 -1.728 -9.393 1.00 0.00 C ATOM 1592 CG GLU A 102 9.392 -0.514 -10.071 1.00 0.00 C ATOM 1593 CD GLU A 102 8.219 -0.974 -10.939 1.00 0.00 C ATOM 1594 OE1 GLU A 102 7.141 -1.150 -10.397 1.00 0.00 O ATOM 1595 OE2 GLU A 102 8.419 -1.142 -12.131 1.00 0.00 O ATOM 0 H GLU A 102 10.728 0.403 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 102 11.929 -2.241 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.969 -2.599 -10.045 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.495 -1.974 -8.478 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.045 0.195 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.129 0.006 -10.683 1.00 0.00 H new ATOM 1602 N MET A 103 12.538 -2.326 -11.070 1.00 0.00 N ATOM 1603 CA MET A 103 13.294 -2.239 -12.355 1.00 0.00 C ATOM 1604 C MET A 103 13.056 -3.509 -13.172 1.00 0.00 C ATOM 1605 O MET A 103 13.464 -4.589 -12.788 1.00 0.00 O ATOM 1606 CB MET A 103 14.788 -2.097 -12.058 1.00 0.00 C ATOM 1607 CG MET A 103 15.159 -0.614 -11.996 1.00 0.00 C ATOM 1608 SD MET A 103 16.942 -0.427 -12.236 1.00 0.00 S ATOM 1609 CE MET A 103 16.966 -0.750 -14.017 1.00 0.00 C ATOM 0 H MET A 103 12.255 -3.268 -10.799 1.00 0.00 H new ATOM 0 HA MET A 103 12.952 -1.373 -12.921 1.00 0.00 H new ATOM 0 HB2 MET A 103 15.029 -2.583 -11.112 1.00 0.00 H new ATOM 0 HB3 MET A 103 15.372 -2.597 -12.831 1.00 0.00 H new ATOM 0 HG2 MET A 103 14.618 -0.061 -12.764 1.00 0.00 H new ATOM 0 HG3 MET A 103 14.865 -0.195 -11.034 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.549 -1.649 -14.216 1.00 0.00 H new ATOM 0 HE2 MET A 103 15.946 -0.892 -14.375 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.417 0.097 -14.534 1.00 0.00 H new ATOM 1619 N GLY A 104 12.400 -3.386 -14.299 1.00 0.00 N ATOM 1620 CA GLY A 104 12.130 -4.582 -15.149 1.00 0.00 C ATOM 1621 C GLY A 104 11.337 -4.163 -16.388 1.00 0.00 C ATOM 1622 O GLY A 104 11.901 -3.895 -17.433 1.00 0.00 O ATOM 0 H GLY A 104 12.040 -2.505 -14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.069 -5.049 -15.447 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.571 -5.325 -14.581 1.00 0.00 H new ATOM 1626 N LYS A 105 10.035 -4.105 -16.275 1.00 0.00 N ATOM 1627 CA LYS A 105 9.195 -3.703 -17.442 1.00 0.00 C ATOM 1628 C LYS A 105 9.032 -2.182 -17.454 1.00 0.00 C ATOM 1629 O LYS A 105 8.459 -1.660 -16.512 1.00 0.00 O ATOM 1630 CB LYS A 105 7.820 -4.365 -17.332 1.00 0.00 C ATOM 1631 CG LYS A 105 7.199 -4.488 -18.726 1.00 0.00 C ATOM 1632 CD LYS A 105 5.960 -5.383 -18.658 1.00 0.00 C ATOM 1633 CE LYS A 105 4.728 -4.528 -18.353 1.00 0.00 C ATOM 1634 NZ LYS A 105 3.496 -5.295 -18.691 1.00 0.00 N ATOM 0 H LYS A 105 9.517 -4.319 -15.423 1.00 0.00 H new ATOM 0 HA LYS A 105 9.678 -4.022 -18.365 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.915 -5.351 -16.876 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.171 -3.775 -16.684 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.928 -3.502 -19.103 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.925 -4.907 -19.423 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.826 -5.909 -19.603 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.089 -6.142 -17.887 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.718 -4.248 -17.300 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.763 -3.603 -18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.658 -4.715 -18.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.506 -5.540 -19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.463 -6.166 -18.124 1.00 0.00 H new TER 1648 LYS A 105