USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot 180:sc= 0.0291 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.28 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 0.951 (180deg=0.597) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -45:sc= 0.00155 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0489 K(o=-0.049,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 1.67 (180deg=1.01) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.913 X(o=-0.91,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.262 K(o=-0.26,f=-0.98) USER MOD Single : A 41 GLN : amide:sc= 0.458 K(o=0.46,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00944) USER MOD Single : A 49 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.7) USER MOD Single : A 55 THR OG1 : rot -51:sc= 0.928 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.319 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0173 K(o=-0.017,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -165:sc= 0.0741 USER MOD Single : A 66 THR OG1 : rot -21:sc= 0.179 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.306 -7.123 -5.066 1.00 9.67 N ATOM 2 CA MET A 1 11.323 -7.043 -3.560 1.00 10.38 C ATOM 3 C MET A 1 9.959 -7.460 -2.989 1.00 9.62 C ATOM 4 O MET A 1 8.957 -6.822 -3.274 1.00 9.62 O ATOM 5 CB MET A 1 11.832 -5.627 -3.150 1.00 13.77 C ATOM 6 CG MET A 1 12.164 -5.360 -1.652 1.00 16.29 C ATOM 7 SD MET A 1 12.746 -3.677 -1.330 1.00 17.17 S ATOM 8 CE MET A 1 11.271 -2.571 -1.375 1.00 16.11 C ATOM 0 H1 MET A 1 12.268 -7.311 -5.415 1.00 9.67 H new ATOM 0 H2 MET A 1 10.673 -7.892 -5.366 1.00 9.67 H new ATOM 0 H3 MET A 1 10.966 -6.222 -5.458 1.00 9.67 H new ATOM 0 HA MET A 1 12.021 -7.754 -3.117 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.730 -5.417 -3.731 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.078 -4.902 -3.456 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.274 -5.549 -1.052 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.926 -6.068 -1.325 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.581 -1.543 -1.185 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.800 -2.632 -2.356 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.559 -2.883 -0.611 1.00 16.11 H new ATOM 20 N GLN A 2 9.896 -8.478 -2.128 1.00 9.27 N ATOM 21 CA GLN A 2 8.601 -8.837 -1.559 1.00 9.07 C ATOM 22 C GLN A 2 8.150 -8.045 -0.317 1.00 8.72 C ATOM 23 O GLN A 2 9.012 -7.676 0.487 1.00 8.22 O ATOM 24 CB GLN A 2 8.600 -10.359 -1.305 1.00 14.46 C ATOM 25 CG GLN A 2 7.188 -10.955 -1.009 1.00 17.01 C ATOM 26 CD GLN A 2 7.180 -12.435 -0.877 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.730 -13.139 -1.795 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.710 -13.092 0.196 1.00 19.49 N ATOM 0 H GLN A 2 10.688 -9.044 -1.822 1.00 9.27 H new ATOM 0 HA GLN A 2 7.849 -8.551 -2.294 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.020 -10.862 -2.176 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.258 -10.577 -0.464 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.803 -10.515 -0.089 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.507 -10.667 -1.809 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.094 -12.563 0.979 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.722 -14.112 0.215 1.00 19.49 H new ATOM 37 N ILE A 3 6.848 -7.688 -0.188 1.00 5.87 N ATOM 38 CA ILE A 3 6.226 -6.983 0.960 1.00 5.07 C ATOM 39 C ILE A 3 4.826 -7.519 1.209 1.00 4.01 C ATOM 40 O ILE A 3 4.186 -8.212 0.370 1.00 4.61 O ATOM 41 CB ILE A 3 6.075 -5.493 0.775 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.315 -5.161 -0.533 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.471 -4.852 0.840 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.760 -3.728 -0.597 1.00 10.83 C ATOM 0 H ILE A 3 6.169 -7.895 -0.920 1.00 5.87 H new ATOM 0 HA ILE A 3 6.909 -7.164 1.790 1.00 5.07 H new ATOM 0 HB ILE A 3 5.466 -5.074 1.576 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.985 -5.316 -1.378 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.489 -5.863 -0.648 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.383 -3.774 0.708 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.924 -5.063 1.809 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.098 -5.264 0.049 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.243 -3.580 -1.545 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.062 -3.571 0.225 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.581 -3.016 -0.517 1.00 10.83 H new ATOM 56 N PHE A 4 4.406 -7.335 2.503 1.00 4.55 N ATOM 57 CA PHE A 4 3.080 -7.712 3.087 1.00 4.68 C ATOM 58 C PHE A 4 2.148 -6.524 3.058 1.00 5.30 C ATOM 59 O PHE A 4 2.515 -5.396 3.369 1.00 5.58 O ATOM 60 CB PHE A 4 3.239 -8.218 4.559 1.00 4.83 C ATOM 61 CG PHE A 4 4.147 -9.409 4.818 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.666 -10.712 4.738 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.449 -9.112 5.283 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.490 -11.769 5.272 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.242 -10.156 5.777 1.00 10.61 C ATOM 66 CZ PHE A 4 5.755 -11.476 5.793 1.00 8.90 C ATOM 0 H PHE A 4 5.014 -6.899 3.196 1.00 4.55 H new ATOM 0 HA PHE A 4 2.662 -8.520 2.487 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.604 -7.385 5.159 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.247 -8.469 4.933 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.707 -10.925 4.290 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.825 -8.100 5.258 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.130 -12.787 5.270 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.234 -9.946 6.148 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.361 -12.267 6.210 1.00 8.90 H new ATOM 76 N VAL A 5 0.895 -6.809 2.796 1.00 4.44 N ATOM 77 CA VAL A 5 -0.204 -5.796 2.891 1.00 3.87 C ATOM 78 C VAL A 5 -1.266 -6.344 3.818 1.00 4.93 C ATOM 79 O VAL A 5 -1.935 -7.288 3.404 1.00 6.84 O ATOM 80 CB VAL A 5 -0.758 -5.283 1.610 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.645 -4.042 1.890 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.401 -4.970 0.625 1.00 9.13 C ATOM 0 H VAL A 5 0.579 -7.736 2.510 1.00 4.44 H new ATOM 0 HA VAL A 5 0.242 -4.889 3.299 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.388 -6.039 1.141 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.051 -3.666 0.951 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.463 -4.322 2.553 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.045 -3.265 2.363 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.010 -4.594 -0.312 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.056 -4.217 1.062 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.971 -5.879 0.433 1.00 9.13 H new ATOM 92 N LYS A 6 -1.390 -5.793 5.072 1.00 6.04 N ATOM 93 CA LYS A 6 -2.187 -6.455 6.112 1.00 6.12 C ATOM 94 C LYS A 6 -3.295 -5.507 6.692 1.00 6.57 C ATOM 95 O LYS A 6 -3.118 -4.324 6.991 1.00 5.76 O ATOM 96 CB LYS A 6 -1.260 -6.909 7.260 1.00 7.45 C ATOM 97 CG LYS A 6 -1.992 -7.749 8.317 1.00 11.12 C ATOM 98 CD LYS A 6 -0.974 -8.259 9.408 1.00 14.54 C ATOM 99 CE LYS A 6 -1.396 -9.561 10.102 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.352 -10.035 11.010 1.00 20.55 N ATOM 0 H LYS A 6 -0.954 -4.917 5.361 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.680 -7.313 5.656 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.436 -7.490 6.847 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.824 -6.032 7.738 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.773 -7.153 8.789 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.482 -8.598 7.841 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.001 -8.409 8.939 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.848 -7.483 10.163 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.319 -9.398 10.658 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.605 -10.325 9.353 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.663 -10.916 11.466 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.521 -10.212 10.473 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.171 -9.314 11.737 1.00 20.55 H new ATOM 114 N THR A 7 -4.515 -6.055 6.818 1.00 7.41 N ATOM 115 CA THR A 7 -5.668 -5.338 7.376 1.00 7.48 C ATOM 116 C THR A 7 -5.725 -5.414 8.888 1.00 8.75 C ATOM 117 O THR A 7 -5.025 -6.234 9.491 1.00 8.58 O ATOM 118 CB THR A 7 -7.024 -5.844 6.759 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.349 -7.178 7.195 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.905 -5.874 5.155 1.00 9.17 C ATOM 0 H THR A 7 -4.727 -7.011 6.534 1.00 7.41 H new ATOM 0 HA THR A 7 -5.529 -4.292 7.102 1.00 7.48 H new ATOM 0 HB THR A 7 -7.804 -5.159 7.091 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.198 -7.456 6.792 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.844 -6.225 4.727 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.691 -4.871 4.787 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.099 -6.547 4.862 1.00 9.17 H new ATOM 128 N LEU A 8 -6.568 -4.509 9.522 1.00 9.84 N ATOM 129 CA LEU A 8 -6.776 -4.499 10.986 1.00 14.15 C ATOM 130 C LEU A 8 -7.323 -5.853 11.524 1.00 17.37 C ATOM 131 O LEU A 8 -6.938 -6.300 12.637 1.00 17.01 O ATOM 132 CB LEU A 8 -7.765 -3.374 11.328 1.00 16.63 C ATOM 133 CG LEU A 8 -8.127 -3.149 12.833 1.00 18.88 C ATOM 134 CD1 LEU A 8 -6.986 -2.875 13.808 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.138 -2.051 12.992 1.00 18.59 C ATOM 0 H LEU A 8 -7.098 -3.793 9.025 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.810 -4.335 11.463 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.357 -2.441 10.939 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.691 -3.567 10.787 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.517 -4.128 13.110 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.389 -2.740 14.812 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.295 -3.718 13.805 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -6.458 -1.971 13.505 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.369 -1.919 14.049 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.733 -1.122 12.590 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.048 -2.313 12.452 1.00 18.59 H new ATOM 147 N THR A 9 -8.158 -6.568 10.721 1.00 18.33 N ATOM 148 CA THR A 9 -8.646 -7.899 11.186 1.00 19.24 C ATOM 149 C THR A 9 -7.712 -9.020 10.715 1.00 19.48 C ATOM 150 O THR A 9 -7.876 -10.236 10.900 1.00 23.14 O ATOM 151 CB THR A 9 -10.075 -8.128 10.711 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.379 -7.869 9.312 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.975 -7.175 11.431 1.00 19.70 C ATOM 0 H THR A 9 -8.492 -6.271 9.804 1.00 18.33 H new ATOM 0 HA THR A 9 -8.644 -7.911 12.276 1.00 19.24 H new ATOM 0 HB THR A 9 -10.216 -9.193 10.897 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.326 -8.057 9.143 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.003 -7.326 11.102 1.00 19.70 H new ATOM 0 HG22 THR A 9 -10.908 -7.352 12.504 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.671 -6.151 11.212 1.00 19.70 H new ATOM 161 N GLY A 10 -6.691 -8.594 10.042 1.00 19.43 N ATOM 162 CA GLY A 10 -5.518 -9.448 9.935 1.00 18.74 C ATOM 163 C GLY A 10 -5.274 -10.304 8.751 1.00 17.62 C ATOM 164 O GLY A 10 -4.480 -11.213 8.861 1.00 19.74 O ATOM 0 H GLY A 10 -6.629 -7.693 9.567 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.647 -8.800 10.039 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.530 -10.108 10.802 1.00 18.74 H new ATOM 168 N LYS A 11 -5.988 -9.997 7.705 1.00 13.56 N ATOM 169 CA LYS A 11 -5.769 -10.536 6.372 1.00 11.91 C ATOM 170 C LYS A 11 -4.521 -10.068 5.697 1.00 10.18 C ATOM 171 O LYS A 11 -4.374 -8.891 5.472 1.00 9.10 O ATOM 172 CB LYS A 11 -6.900 -10.364 5.435 1.00 13.43 C ATOM 173 CG LYS A 11 -6.705 -11.077 4.097 1.00 16.69 C ATOM 174 CD LYS A 11 -7.927 -10.879 3.183 1.00 17.92 C ATOM 175 CE LYS A 11 -7.593 -11.461 1.818 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.637 -11.202 0.794 1.00 21.93 N ATOM 0 H LYS A 11 -6.769 -9.342 7.748 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.663 -11.597 6.596 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.810 -10.737 5.906 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.049 -9.300 5.251 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.812 -10.694 3.604 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.543 -12.141 4.268 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.802 -11.374 3.604 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.170 -9.820 3.096 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.647 -11.043 1.475 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.449 -12.537 1.915 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.502 -11.848 -0.010 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.577 -11.358 1.210 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.563 -10.218 0.464 1.00 21.93 H new ATOM 190 N THR A 12 -3.571 -10.993 5.390 1.00 9.63 N ATOM 191 CA THR A 12 -2.320 -10.655 4.721 1.00 9.85 C ATOM 192 C THR A 12 -2.253 -11.117 3.336 1.00 11.66 C ATOM 193 O THR A 12 -2.548 -12.289 3.027 1.00 12.33 O ATOM 194 CB THR A 12 -1.092 -11.211 5.416 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.211 -10.847 6.820 1.00 10.91 O ATOM 196 CG2 THR A 12 0.164 -10.493 5.019 1.00 9.63 C ATOM 0 H THR A 12 -3.667 -11.985 5.606 1.00 9.63 H new ATOM 0 HA THR A 12 -2.317 -9.566 4.757 1.00 9.85 H new ATOM 0 HB THR A 12 -1.039 -12.274 5.181 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.436 -11.188 7.313 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.014 -10.929 5.544 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.314 -10.589 3.944 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.078 -9.438 5.280 1.00 9.63 H new ATOM 204 N ILE A 13 -1.826 -10.214 2.371 1.00 10.42 N ATOM 205 CA ILE A 13 -1.574 -10.508 0.939 1.00 11.84 C ATOM 206 C ILE A 13 -0.081 -10.132 0.907 1.00 10.55 C ATOM 207 O ILE A 13 0.370 -9.263 1.666 1.00 11.92 O ATOM 208 CB ILE A 13 -2.522 -9.906 -0.085 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.658 -8.435 0.099 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.887 -10.580 0.133 1.00 17.08 C ATOM 211 CD1 ILE A 13 -1.809 -7.517 -0.806 1.00 16.46 C ATOM 0 H ILE A 13 -1.649 -9.236 2.599 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.787 -11.525 0.611 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.141 -10.071 -1.093 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.706 -8.174 -0.048 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -2.414 -8.203 1.136 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.608 -10.181 -0.581 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.789 -11.656 -0.013 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.233 -10.381 1.147 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.012 -6.475 -0.560 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -0.751 -7.728 -0.648 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -2.064 -7.699 -1.850 1.00 16.46 H new ATOM 223 N THR A 14 0.712 -10.814 0.009 1.00 9.39 N ATOM 224 CA THR A 14 2.122 -10.596 -0.187 1.00 9.63 C ATOM 225 C THR A 14 2.335 -10.224 -1.677 1.00 11.20 C ATOM 226 O THR A 14 1.893 -10.868 -2.636 1.00 11.63 O ATOM 227 CB THR A 14 3.084 -11.757 0.006 1.00 10.38 C ATOM 228 OG1 THR A 14 2.410 -13.031 -0.044 1.00 16.30 O ATOM 229 CG2 THR A 14 3.696 -11.653 1.447 1.00 11.66 C ATOM 0 H THR A 14 0.339 -11.544 -0.598 1.00 9.39 H new ATOM 0 HA THR A 14 2.351 -9.855 0.579 1.00 9.63 H new ATOM 0 HB THR A 14 3.829 -11.701 -0.788 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.062 -13.751 0.082 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.391 -12.478 1.608 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.227 -10.706 1.549 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.897 -11.703 2.186 1.00 11.66 H new ATOM 237 N LEU A 15 3.116 -9.175 -1.927 1.00 8.29 N ATOM 238 CA LEU A 15 3.299 -8.598 -3.233 1.00 9.03 C ATOM 239 C LEU A 15 4.768 -8.465 -3.535 1.00 8.59 C ATOM 240 O LEU A 15 5.546 -8.094 -2.706 1.00 7.79 O ATOM 241 CB LEU A 15 2.771 -7.102 -3.203 1.00 11.08 C ATOM 242 CG LEU A 15 1.274 -6.932 -3.061 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.059 -5.416 -2.951 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.550 -7.496 -4.320 1.00 15.27 C ATOM 0 H LEU A 15 3.648 -8.699 -1.199 1.00 8.29 H new ATOM 0 HA LEU A 15 2.784 -9.228 -3.958 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.256 -6.582 -2.377 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.088 -6.607 -4.121 1.00 11.08 H new ATOM 0 HG LEU A 15 0.875 -7.465 -2.198 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.005 -5.206 -2.845 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.593 -5.035 -2.080 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.437 -4.929 -3.850 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.527 -7.369 -4.208 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.889 -6.959 -5.206 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.781 -8.556 -4.428 1.00 15.27 H new ATOM 256 N GLU A 16 5.272 -8.785 -4.740 1.00 11.04 N ATOM 257 CA GLU A 16 6.623 -8.419 -5.167 1.00 11.50 C ATOM 258 C GLU A 16 6.661 -7.094 -5.943 1.00 10.13 C ATOM 259 O GLU A 16 5.960 -6.961 -6.954 1.00 9.83 O ATOM 260 CB GLU A 16 7.403 -9.469 -5.948 1.00 17.22 C ATOM 261 CG GLU A 16 7.632 -10.751 -5.189 1.00 23.33 C ATOM 262 CD GLU A 16 8.117 -11.890 -6.074 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.287 -11.776 -6.610 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.407 -12.931 -6.288 1.00 28.86 O ATOM 0 H GLU A 16 4.748 -9.306 -5.443 1.00 11.04 H new ATOM 0 HA GLU A 16 7.133 -8.318 -4.209 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.866 -9.695 -6.869 1.00 17.22 H new ATOM 0 HB3 GLU A 16 8.368 -9.051 -6.235 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.364 -10.574 -4.401 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.704 -11.048 -4.701 1.00 23.33 H new ATOM 271 N VAL A 17 7.437 -6.049 -5.482 1.00 8.99 N ATOM 272 CA VAL A 17 7.383 -4.749 -6.006 1.00 8.85 C ATOM 273 C VAL A 17 8.851 -4.295 -6.179 1.00 8.04 C ATOM 274 O VAL A 17 9.778 -4.975 -5.766 1.00 8.99 O ATOM 275 CB VAL A 17 6.613 -3.838 -5.064 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.121 -4.249 -4.950 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.248 -3.952 -3.653 1.00 10.54 C ATOM 0 H VAL A 17 8.109 -6.152 -4.722 1.00 8.99 H new ATOM 0 HA VAL A 17 6.861 -4.712 -6.962 1.00 8.85 H new ATOM 0 HB VAL A 17 6.662 -2.823 -5.457 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.608 -3.572 -4.267 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.653 -4.196 -5.933 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.052 -5.268 -4.570 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.711 -3.306 -2.959 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.187 -4.984 -3.309 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.293 -3.646 -3.699 1.00 10.54 H new ATOM 287 N GLU A 18 9.078 -3.143 -6.838 1.00 7.29 N ATOM 288 CA GLU A 18 10.465 -2.703 -6.961 1.00 7.08 C ATOM 289 C GLU A 18 10.470 -1.350 -6.178 1.00 6.45 C ATOM 290 O GLU A 18 9.401 -0.775 -5.942 1.00 5.28 O ATOM 291 CB GLU A 18 10.819 -2.424 -8.443 1.00 10.28 C ATOM 292 CG GLU A 18 10.850 -3.604 -9.374 1.00 12.65 C ATOM 293 CD GLU A 18 11.847 -4.686 -9.068 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.009 -4.430 -8.722 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.479 -5.898 -9.122 1.00 18.17 O ATOM 0 H GLU A 18 8.371 -2.543 -7.263 1.00 7.29 H new ATOM 0 HA GLU A 18 11.177 -3.441 -6.592 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.099 -1.704 -8.833 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.797 -1.944 -8.472 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.856 -4.052 -9.387 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.047 -3.236 -10.381 1.00 12.65 H new ATOM 302 N PRO A 19 11.680 -0.928 -5.776 1.00 7.24 N ATOM 303 CA PRO A 19 11.877 0.331 -5.018 1.00 7.07 C ATOM 304 C PRO A 19 11.321 1.578 -5.695 1.00 6.65 C ATOM 305 O PRO A 19 10.763 2.438 -4.983 1.00 6.37 O ATOM 306 CB PRO A 19 13.438 0.425 -4.917 1.00 7.61 C ATOM 307 CG PRO A 19 13.803 -1.035 -4.693 1.00 8.16 C ATOM 308 CD PRO A 19 12.917 -1.687 -5.766 1.00 7.49 C ATOM 0 HA PRO A 19 11.345 0.300 -4.067 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.886 0.827 -5.825 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.760 1.062 -4.093 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.864 -1.230 -4.851 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.562 -1.377 -3.687 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.401 -1.658 -6.742 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.730 -2.735 -5.534 1.00 7.49 H new ATOM 316 N SER A 20 11.390 1.683 -7.036 1.00 6.80 N ATOM 317 CA SER A 20 10.906 2.854 -7.800 1.00 6.28 C ATOM 318 C SER A 20 9.395 2.816 -8.121 1.00 8.45 C ATOM 319 O SER A 20 8.856 3.788 -8.712 1.00 7.26 O ATOM 320 CB SER A 20 11.633 3.014 -9.180 1.00 8.57 C ATOM 321 OG SER A 20 11.732 4.352 -9.599 1.00 11.13 O ATOM 0 H SER A 20 11.786 0.952 -7.627 1.00 6.80 H new ATOM 0 HA SER A 20 11.124 3.688 -7.133 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.633 2.587 -9.109 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.095 2.442 -9.936 1.00 8.57 H new ATOM 0 HG SER A 20 10.871 4.801 -9.465 1.00 11.13 H new ATOM 327 N ASP A 21 8.623 1.790 -7.737 1.00 7.50 N ATOM 328 CA ASP A 21 7.153 1.780 -7.626 1.00 7.70 C ATOM 329 C ASP A 21 6.664 2.894 -6.734 1.00 7.08 C ATOM 330 O ASP A 21 6.952 3.063 -5.566 1.00 8.11 O ATOM 331 CB ASP A 21 6.541 0.418 -7.204 1.00 11.00 C ATOM 332 CG ASP A 21 6.613 -0.545 -8.392 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.117 -0.190 -9.507 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.175 -1.680 -8.299 1.00 18.03 O ATOM 0 H ASP A 21 9.029 0.891 -7.480 1.00 7.50 H new ATOM 0 HA ASP A 21 6.794 1.951 -8.641 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.084 0.008 -6.352 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.506 0.551 -6.888 1.00 11.00 H new ATOM 339 N THR A 22 5.757 3.660 -7.330 1.00 5.37 N ATOM 340 CA THR A 22 4.954 4.600 -6.621 1.00 6.01 C ATOM 341 C THR A 22 3.924 3.801 -5.769 1.00 8.01 C ATOM 342 O THR A 22 3.565 2.682 -6.065 1.00 8.11 O ATOM 343 CB THR A 22 4.162 5.716 -7.377 1.00 8.92 C ATOM 344 OG1 THR A 22 3.526 5.112 -8.531 1.00 10.22 O ATOM 345 CG2 THR A 22 5.163 6.773 -7.802 1.00 9.65 C ATOM 0 H THR A 22 5.570 3.631 -8.332 1.00 5.37 H new ATOM 0 HA THR A 22 5.708 5.172 -6.080 1.00 6.01 H new ATOM 0 HB THR A 22 3.395 6.173 -6.752 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.021 5.794 -9.021 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.646 7.571 -8.334 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.654 7.184 -6.920 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.910 6.324 -8.457 1.00 9.65 H new ATOM 353 N ILE A 23 3.424 4.390 -4.655 1.00 8.32 N ATOM 354 CA ILE A 23 2.374 3.850 -3.845 1.00 9.92 C ATOM 355 C ILE A 23 1.108 3.691 -4.718 1.00 10.01 C ATOM 356 O ILE A 23 0.452 2.666 -4.565 1.00 8.71 O ATOM 357 CB ILE A 23 2.046 4.764 -2.706 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.294 4.990 -1.809 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.817 4.226 -1.808 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.002 3.768 -1.233 1.00 12.30 C ATOM 0 H ILE A 23 3.772 5.284 -4.308 1.00 8.32 H new ATOM 0 HA ILE A 23 2.704 2.891 -3.445 1.00 9.92 H new ATOM 0 HB ILE A 23 1.736 5.711 -3.148 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.024 5.553 -2.391 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.993 5.624 -0.975 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.624 4.929 -0.997 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.074 4.134 -2.429 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.071 3.251 -1.391 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.852 4.090 -0.631 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.307 3.205 -0.609 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.354 3.134 -2.047 1.00 12.30 H new ATOM 372 N GLU A 24 0.828 4.591 -5.727 1.00 9.54 N ATOM 373 CA GLU A 24 -0.155 4.305 -6.773 1.00 11.81 C ATOM 374 C GLU A 24 -0.069 2.874 -7.497 1.00 11.14 C ATOM 375 O GLU A 24 -1.075 2.175 -7.537 1.00 10.62 O ATOM 376 CB GLU A 24 -0.092 5.352 -7.814 1.00 19.24 C ATOM 377 CG GLU A 24 -1.306 5.238 -8.717 1.00 27.76 C ATOM 378 CD GLU A 24 -1.461 6.402 -9.714 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.493 7.198 -9.979 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.598 6.520 -10.246 1.00 36.51 O ATOM 0 H GLU A 24 1.278 5.502 -5.814 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.100 4.289 -6.231 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.060 6.339 -7.352 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.821 5.244 -8.399 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.245 4.303 -9.274 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.202 5.182 -8.098 1.00 27.76 H new ATOM 387 N ASN A 25 1.116 2.498 -7.967 1.00 9.43 N ATOM 388 CA ASN A 25 1.364 1.202 -8.518 1.00 10.96 C ATOM 389 C ASN A 25 1.179 0.094 -7.466 1.00 9.68 C ATOM 390 O ASN A 25 0.659 -0.976 -7.832 1.00 9.33 O ATOM 391 CB ASN A 25 2.822 1.245 -9.079 1.00 16.78 C ATOM 392 CG ASN A 25 3.040 2.284 -10.128 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.268 3.152 -10.462 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.300 2.264 -10.646 1.00 24.70 N ATOM 0 H ASN A 25 1.934 3.107 -7.969 1.00 9.43 H new ATOM 0 HA ASN A 25 0.652 0.964 -9.308 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.512 1.426 -8.255 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.070 0.268 -9.494 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.589 2.980 -11.313 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.955 1.533 -10.367 1.00 24.70 H new ATOM 401 N VAL A 26 1.608 0.336 -6.219 1.00 6.52 N ATOM 402 CA VAL A 26 1.398 -0.641 -5.085 1.00 5.53 C ATOM 403 C VAL A 26 -0.157 -0.848 -4.918 1.00 4.42 C ATOM 404 O VAL A 26 -0.666 -1.920 -4.814 1.00 3.40 O ATOM 405 CB VAL A 26 1.920 -0.111 -3.699 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.606 -1.137 -2.582 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.409 0.174 -3.767 1.00 8.12 C ATOM 0 H VAL A 26 2.101 1.187 -5.948 1.00 6.52 H new ATOM 0 HA VAL A 26 1.946 -1.549 -5.337 1.00 5.53 H new ATOM 0 HB VAL A 26 1.407 0.821 -3.464 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.972 -0.759 -1.627 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.529 -1.291 -2.522 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.096 -2.084 -2.809 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.754 0.540 -2.800 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.943 -0.742 -4.020 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.601 0.929 -4.530 1.00 8.12 H new ATOM 417 N LYS A 27 -0.952 0.284 -4.955 1.00 2.64 N ATOM 418 CA LYS A 27 -2.383 0.158 -4.879 1.00 4.14 C ATOM 419 C LYS A 27 -2.976 -0.538 -6.160 1.00 5.58 C ATOM 420 O LYS A 27 -3.985 -1.272 -6.088 1.00 4.11 O ATOM 421 CB LYS A 27 -3.062 1.524 -4.615 1.00 3.97 C ATOM 422 CG LYS A 27 -2.710 2.232 -3.345 1.00 7.45 C ATOM 423 CD LYS A 27 -3.479 3.604 -3.198 1.00 9.02 C ATOM 424 CE LYS A 27 -3.288 4.315 -1.887 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.017 5.587 -1.813 1.00 15.47 N ATOM 0 H LYS A 27 -0.603 1.239 -5.034 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.602 -0.487 -4.028 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.823 2.186 -5.447 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.141 1.372 -4.628 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.947 1.591 -2.496 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.636 2.414 -3.318 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.159 4.268 -4.001 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.544 3.421 -3.340 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.618 3.666 -1.076 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.225 4.502 -1.733 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.646 6.154 -1.024 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.894 6.110 -2.704 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.028 5.399 -1.659 1.00 15.47 H new ATOM 439 N ALA A 28 -2.357 -0.330 -7.341 1.00 6.61 N ATOM 440 CA ALA A 28 -2.810 -0.982 -8.582 1.00 7.74 C ATOM 441 C ALA A 28 -2.508 -2.477 -8.545 1.00 9.17 C ATOM 442 O ALA A 28 -3.342 -3.314 -8.926 1.00 11.45 O ATOM 443 CB ALA A 28 -2.176 -0.101 -9.707 1.00 7.68 C ATOM 0 H ALA A 28 -1.548 0.280 -7.459 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.886 -1.013 -8.756 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.453 -0.502 -10.682 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.542 0.922 -9.618 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.091 -0.108 -9.606 1.00 7.68 H new ATOM 449 N LYS A 29 -1.320 -2.842 -8.009 1.00 8.96 N ATOM 450 CA LYS A 29 -1.026 -4.249 -7.751 1.00 7.90 C ATOM 451 C LYS A 29 -2.008 -4.885 -6.781 1.00 6.92 C ATOM 452 O LYS A 29 -2.367 -6.059 -6.814 1.00 6.87 O ATOM 453 CB LYS A 29 0.452 -4.453 -7.425 1.00 10.28 C ATOM 454 CG LYS A 29 1.446 -4.139 -8.528 1.00 14.94 C ATOM 455 CD LYS A 29 2.839 -3.827 -7.997 1.00 19.69 C ATOM 456 CE LYS A 29 3.889 -3.358 -8.998 1.00 22.63 C ATOM 457 NZ LYS A 29 4.334 -4.383 -10.000 1.00 24.98 N ATOM 0 H LYS A 29 -0.575 -2.193 -7.756 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.190 -4.810 -8.671 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.698 -3.836 -6.561 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.594 -5.491 -7.126 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.504 -4.987 -9.211 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.084 -3.289 -9.106 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.741 -3.060 -7.229 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.220 -4.723 -7.506 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.492 -2.498 -9.537 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.763 -3.013 -8.446 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.046 -3.965 -10.632 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.748 -5.198 -9.503 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.517 -4.698 -10.561 1.00 24.98 H new ATOM 471 N ILE A 30 -2.415 -4.133 -5.709 1.00 4.57 N ATOM 472 CA ILE A 30 -3.420 -4.421 -4.736 1.00 5.58 C ATOM 473 C ILE A 30 -4.799 -4.553 -5.433 1.00 7.26 C ATOM 474 O ILE A 30 -5.442 -5.555 -5.242 1.00 9.46 O ATOM 475 CB ILE A 30 -3.638 -3.523 -3.498 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.375 -3.703 -2.586 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.868 -3.961 -2.636 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.370 -2.688 -1.420 1.00 2.00 C ATOM 0 H ILE A 30 -1.979 -3.230 -5.524 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.995 -5.329 -4.308 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.806 -2.503 -3.844 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.354 -4.717 -2.187 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.472 -3.577 -3.184 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.970 -3.293 -1.781 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.772 -3.914 -3.243 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.720 -4.982 -2.283 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.481 -2.841 -0.808 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.365 -1.674 -1.820 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.261 -2.832 -0.808 1.00 2.00 H new ATOM 490 N GLN A 31 -5.214 -3.633 -6.319 1.00 7.06 N ATOM 491 CA GLN A 31 -6.427 -3.630 -7.137 1.00 8.67 C ATOM 492 C GLN A 31 -6.472 -4.810 -8.046 1.00 10.90 C ATOM 493 O GLN A 31 -7.502 -5.468 -8.260 1.00 9.63 O ATOM 494 CB GLN A 31 -6.566 -2.324 -7.923 1.00 9.12 C ATOM 495 CG GLN A 31 -7.835 -2.220 -8.817 1.00 10.76 C ATOM 496 CD GLN A 31 -7.800 -0.841 -9.429 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.807 -0.220 -9.840 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.033 -0.185 -9.500 1.00 14.76 N ATOM 0 H GLN A 31 -4.654 -2.798 -6.493 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.278 -3.701 -6.459 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.569 -1.493 -7.218 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.686 -2.203 -8.554 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.833 -2.990 -9.589 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.741 -2.362 -8.227 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.879 -0.653 -9.175 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.086 0.761 -9.877 1.00 14.76 H new ATOM 507 N ASP A 32 -5.318 -5.264 -8.552 1.00 10.93 N ATOM 508 CA ASP A 32 -5.230 -6.528 -9.293 1.00 14.01 C ATOM 509 C ASP A 32 -5.454 -7.772 -8.398 1.00 14.04 C ATOM 510 O ASP A 32 -5.786 -8.848 -8.838 1.00 13.39 O ATOM 511 CB ASP A 32 -3.740 -6.671 -9.831 1.00 18.01 C ATOM 512 CG ASP A 32 -3.320 -7.891 -10.486 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.818 -8.189 -11.580 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.338 -8.496 -10.058 1.00 25.17 O ATOM 0 H ASP A 32 -4.429 -4.772 -8.461 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.994 -6.495 -10.070 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.568 -5.852 -10.530 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.073 -6.512 -8.984 1.00 18.01 H new ATOM 519 N LYS A 33 -5.038 -7.686 -7.108 1.00 14.22 N ATOM 520 CA LYS A 33 -5.097 -8.804 -6.170 1.00 14.00 C ATOM 521 C LYS A 33 -6.452 -8.865 -5.415 1.00 12.37 C ATOM 522 O LYS A 33 -6.967 -9.960 -5.271 1.00 12.17 O ATOM 523 CB LYS A 33 -3.970 -8.664 -5.094 1.00 18.62 C ATOM 524 CG LYS A 33 -3.703 -9.845 -4.149 1.00 24.00 C ATOM 525 CD LYS A 33 -3.097 -11.124 -4.792 1.00 27.61 C ATOM 526 CE LYS A 33 -1.688 -10.979 -5.325 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.293 -12.161 -6.081 1.00 30.06 N ATOM 0 H LYS A 33 -4.654 -6.832 -6.703 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.972 -9.711 -6.762 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.040 -8.442 -5.617 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.206 -7.795 -4.479 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.029 -9.507 -3.362 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.643 -10.117 -3.669 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.106 -11.922 -4.050 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.745 -11.441 -5.609 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.625 -10.097 -5.962 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.996 -10.824 -4.497 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.323 -12.038 -6.436 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.332 -12.997 -5.464 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.941 -12.293 -6.883 1.00 30.06 H new ATOM 541 N GLU A 34 -7.013 -7.658 -4.958 1.00 10.11 N ATOM 542 CA GLU A 34 -8.212 -7.520 -4.103 1.00 10.07 C ATOM 543 C GLU A 34 -9.382 -6.831 -4.710 1.00 9.32 C ATOM 544 O GLU A 34 -10.500 -7.069 -4.258 1.00 11.61 O ATOM 545 CB GLU A 34 -7.764 -6.681 -2.814 1.00 14.77 C ATOM 546 CG GLU A 34 -6.796 -7.381 -1.841 1.00 18.75 C ATOM 547 CD GLU A 34 -7.472 -8.584 -1.182 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.753 -9.585 -1.905 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.777 -8.593 0.017 1.00 25.19 O ATOM 0 H GLU A 34 -6.606 -6.755 -5.201 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.556 -8.533 -3.897 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.297 -5.757 -3.154 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.660 -6.401 -2.261 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.905 -7.707 -2.377 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.468 -6.677 -1.076 1.00 18.75 H new ATOM 556 N GLY A 35 -9.205 -6.119 -5.841 1.00 7.22 N ATOM 557 CA GLY A 35 -10.242 -5.465 -6.637 1.00 6.29 C ATOM 558 C GLY A 35 -10.755 -4.134 -6.241 1.00 6.93 C ATOM 559 O GLY A 35 -11.791 -3.649 -6.636 1.00 7.41 O ATOM 0 H GLY A 35 -8.276 -5.982 -6.240 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.860 -5.375 -7.654 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.095 -6.142 -6.676 1.00 6.29 H new ATOM 563 N ILE A 36 -9.985 -3.420 -5.369 1.00 5.86 N ATOM 564 CA ILE A 36 -10.384 -2.251 -4.668 1.00 6.07 C ATOM 565 C ILE A 36 -9.874 -0.997 -5.352 1.00 6.36 C ATOM 566 O ILE A 36 -8.694 -0.969 -5.742 1.00 6.18 O ATOM 567 CB ILE A 36 -10.009 -2.171 -3.227 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.380 -3.474 -2.480 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.803 -1.064 -2.501 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.589 -3.566 -1.127 1.00 9.49 C ATOM 0 H ILE A 36 -9.026 -3.693 -5.153 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.471 -2.323 -4.695 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.936 -1.980 -3.213 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.452 -3.498 -2.285 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.150 -4.338 -3.104 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.506 -1.032 -1.453 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.594 -0.101 -2.967 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.870 -1.277 -2.570 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.858 -4.487 -0.610 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.518 -3.564 -1.331 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.841 -2.711 -0.500 1.00 9.49 H new ATOM 582 N PRO A 37 -10.643 0.108 -5.678 1.00 8.65 N ATOM 583 CA PRO A 37 -10.038 1.348 -6.219 1.00 9.18 C ATOM 584 C PRO A 37 -8.860 2.024 -5.529 1.00 9.85 C ATOM 585 O PRO A 37 -8.851 1.986 -4.317 1.00 8.51 O ATOM 586 CB PRO A 37 -11.178 2.358 -6.216 1.00 11.42 C ATOM 587 CG PRO A 37 -12.420 1.477 -6.588 1.00 9.27 C ATOM 588 CD PRO A 37 -12.128 0.118 -5.859 1.00 8.33 C ATOM 0 HA PRO A 37 -9.596 1.036 -7.165 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.296 2.833 -5.242 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.015 3.155 -6.942 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.351 1.927 -6.243 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.511 1.344 -7.666 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.646 0.061 -4.902 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.462 -0.732 -6.454 1.00 8.33 H new ATOM 596 N PRO A 38 -7.784 2.505 -6.168 1.00 8.71 N ATOM 597 CA PRO A 38 -6.707 3.202 -5.448 1.00 9.08 C ATOM 598 C PRO A 38 -7.192 4.330 -4.595 1.00 9.28 C ATOM 599 O PRO A 38 -6.514 4.622 -3.633 1.00 6.50 O ATOM 600 CB PRO A 38 -5.717 3.545 -6.638 1.00 10.31 C ATOM 601 CG PRO A 38 -5.859 2.412 -7.688 1.00 10.81 C ATOM 602 CD PRO A 38 -7.377 2.059 -7.529 1.00 12.00 C ATOM 0 HA PRO A 38 -6.205 2.625 -4.671 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.963 4.511 -7.078 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.690 3.611 -6.278 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.616 2.749 -8.696 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.211 1.563 -7.471 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.972 2.559 -8.293 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.539 0.988 -7.649 1.00 12.00 H new ATOM 610 N ASP A 39 -8.249 5.055 -4.930 1.00 11.20 N ATOM 611 CA ASP A 39 -8.616 6.178 -4.170 1.00 14.96 C ATOM 612 C ASP A 39 -9.202 5.896 -2.770 1.00 13.99 C ATOM 613 O ASP A 39 -8.981 6.608 -1.825 1.00 13.75 O ATOM 614 CB ASP A 39 -9.723 7.048 -4.954 1.00 24.16 C ATOM 615 CG ASP A 39 -9.187 7.563 -6.265 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.092 8.124 -6.362 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.922 7.322 -7.249 1.00 34.22 O ATOM 0 H ASP A 39 -8.851 4.862 -5.730 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.669 6.698 -4.028 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.607 6.437 -5.135 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.037 7.887 -4.332 1.00 24.16 H new ATOM 622 N GLN A 40 -9.970 4.772 -2.595 1.00 11.60 N ATOM 623 CA GLN A 40 -10.444 4.142 -1.368 1.00 10.76 C ATOM 624 C GLN A 40 -9.314 3.700 -0.421 1.00 8.01 C ATOM 625 O GLN A 40 -9.263 3.916 0.769 1.00 8.96 O ATOM 626 CB GLN A 40 -11.358 2.920 -1.639 1.00 11.14 C ATOM 627 CG GLN A 40 -12.675 3.329 -2.371 1.00 14.85 C ATOM 628 CD GLN A 40 -13.516 2.129 -2.868 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.113 2.179 -3.981 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.711 1.068 -2.066 1.00 18.16 N ATOM 0 H GLN A 40 -10.292 4.250 -3.410 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.018 4.929 -0.878 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.819 2.190 -2.243 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.603 2.434 -0.695 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.283 3.931 -1.695 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.424 3.962 -3.223 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.235 1.015 -1.165 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.335 0.316 -2.358 1.00 18.16 H new ATOM 639 N GLN A 41 -8.399 2.961 -1.025 1.00 6.52 N ATOM 640 CA GLN A 41 -7.233 2.471 -0.309 1.00 3.87 C ATOM 641 C GLN A 41 -6.454 3.563 0.398 1.00 4.79 C ATOM 642 O GLN A 41 -6.052 4.536 -0.300 1.00 6.34 O ATOM 643 CB GLN A 41 -6.303 1.714 -1.261 1.00 4.20 C ATOM 644 CG GLN A 41 -6.994 0.431 -1.906 1.00 3.20 C ATOM 645 CD GLN A 41 -6.047 -0.352 -2.787 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.900 -0.598 -2.375 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.462 -0.555 -4.026 1.00 7.13 N ATOM 0 H GLN A 41 -8.440 2.688 -2.007 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.613 1.801 0.462 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.979 2.385 -2.056 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.408 1.406 -0.720 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.366 -0.216 -1.112 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.858 0.743 -2.493 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.421 -0.327 -4.286 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.823 -0.940 -4.721 1.00 7.13 H new ATOM 656 N ARG A 42 -6.125 3.307 1.700 1.00 5.73 N ATOM 657 CA ARG A 42 -5.125 4.028 2.460 1.00 6.97 C ATOM 658 C ARG A 42 -4.040 3.047 2.871 1.00 7.15 C ATOM 659 O ARG A 42 -4.279 2.093 3.644 1.00 7.33 O ATOM 660 CB ARG A 42 -5.538 4.990 3.567 1.00 13.23 C ATOM 661 CG ARG A 42 -6.616 6.033 3.221 1.00 21.27 C ATOM 662 CD ARG A 42 -6.872 6.996 4.424 1.00 26.14 C ATOM 663 NE ARG A 42 -7.836 8.027 3.995 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.084 9.098 4.756 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.552 9.244 5.928 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.077 9.930 4.400 1.00 36.39 N ATOM 0 H ARG A 42 -6.576 2.568 2.240 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.760 4.783 1.764 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.895 4.401 4.412 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.648 5.522 3.903 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.303 6.609 2.350 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.543 5.527 2.952 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.263 6.442 5.277 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.939 7.459 4.745 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.321 7.921 3.104 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.923 8.530 6.295 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.762 10.073 6.484 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.626 9.739 3.562 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.282 10.752 4.968 1.00 36.39 H new ATOM 680 N LEU A 43 -2.776 3.210 2.370 1.00 4.65 N ATOM 681 CA LEU A 43 -1.656 2.476 2.858 1.00 3.51 C ATOM 682 C LEU A 43 -0.949 3.253 3.952 1.00 5.56 C ATOM 683 O LEU A 43 -0.360 4.308 3.727 1.00 4.19 O ATOM 684 CB LEU A 43 -0.605 2.059 1.808 1.00 3.74 C ATOM 685 CG LEU A 43 -1.128 1.046 0.791 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.090 0.848 -0.297 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.510 -0.243 1.428 1.00 6.41 C ATOM 0 H LEU A 43 -2.549 3.862 1.619 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.098 1.550 3.227 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.259 2.947 1.279 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.259 1.635 2.319 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.040 1.442 0.345 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.459 0.126 -1.025 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.102 1.799 -0.794 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.835 0.477 0.145 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.876 -0.931 0.666 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.640 -0.677 1.921 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.294 -0.067 2.164 1.00 6.41 H new ATOM 699 N ILE A 44 -1.008 2.736 5.179 1.00 4.58 N ATOM 700 CA ILE A 44 -0.408 3.255 6.399 1.00 5.55 C ATOM 701 C ILE A 44 0.808 2.399 6.712 1.00 5.46 C ATOM 702 O ILE A 44 0.814 1.174 6.653 1.00 6.04 O ATOM 703 CB ILE A 44 -1.454 3.285 7.551 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.399 4.443 7.432 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.683 3.532 8.876 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.378 4.479 6.262 1.00 13.90 C ATOM 0 H ILE A 44 -1.520 1.872 5.355 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.082 4.288 6.275 1.00 5.55 H new ATOM 0 HB ILE A 44 -2.008 2.347 7.516 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.983 4.488 8.351 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.801 5.353 7.389 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.388 3.559 9.707 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.035 2.727 9.035 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.154 4.483 8.817 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.987 5.381 6.325 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.824 4.480 5.324 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.024 3.602 6.301 1.00 13.90 H new ATOM 718 N PHE A 45 1.935 3.064 6.992 1.00 6.75 N ATOM 719 CA PHE A 45 3.108 2.519 7.461 1.00 4.70 C ATOM 720 C PHE A 45 3.765 3.455 8.375 1.00 6.34 C ATOM 721 O PHE A 45 3.843 4.646 8.130 1.00 5.45 O ATOM 722 CB PHE A 45 3.971 2.123 6.297 1.00 5.51 C ATOM 723 CG PHE A 45 5.248 1.453 6.642 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.277 0.232 7.284 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.495 2.046 6.292 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.481 -0.369 7.700 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.700 1.514 6.711 1.00 6.64 C ATOM 728 CZ PHE A 45 7.721 0.270 7.438 1.00 6.84 C ATOM 0 H PHE A 45 2.002 4.074 6.869 1.00 6.75 H new ATOM 0 HA PHE A 45 2.908 1.615 8.036 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.396 1.459 5.652 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.196 3.017 5.715 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.345 -0.280 7.474 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.499 2.937 5.682 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.461 -1.316 8.218 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.624 2.030 6.494 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.652 -0.163 7.773 1.00 6.84 H new ATOM 738 N ALA A 46 4.335 2.953 9.448 1.00 6.53 N ATOM 739 CA ALA A 46 5.188 3.546 10.457 1.00 7.15 C ATOM 740 C ALA A 46 4.578 4.807 11.062 1.00 9.00 C ATOM 741 O ALA A 46 5.290 5.780 11.279 1.00 11.15 O ATOM 742 CB ALA A 46 6.644 3.802 9.914 1.00 8.99 C ATOM 0 H ALA A 46 4.187 1.967 9.664 1.00 6.53 H new ATOM 0 HA ALA A 46 5.269 2.820 11.266 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.253 4.247 10.701 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.088 2.856 9.603 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.600 4.480 9.061 1.00 8.99 H new ATOM 748 N GLY A 47 3.288 4.807 11.441 1.00 9.35 N ATOM 749 CA GLY A 47 2.578 5.933 12.056 1.00 11.68 C ATOM 750 C GLY A 47 2.047 6.831 11.082 1.00 11.14 C ATOM 751 O GLY A 47 1.420 7.813 11.470 1.00 13.93 O ATOM 0 H GLY A 47 2.691 3.988 11.321 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.767 5.553 12.678 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.258 6.474 12.714 1.00 11.68 H new ATOM 755 N LYS A 48 2.201 6.625 9.754 1.00 10.47 N ATOM 756 CA LYS A 48 1.709 7.569 8.741 1.00 8.82 C ATOM 757 C LYS A 48 1.117 7.048 7.444 1.00 7.68 C ATOM 758 O LYS A 48 1.511 6.022 6.917 1.00 6.47 O ATOM 759 CB LYS A 48 2.704 8.601 8.338 1.00 9.74 C ATOM 760 CG LYS A 48 3.953 8.234 7.600 1.00 14.14 C ATOM 761 CD LYS A 48 4.847 9.409 7.196 1.00 16.32 C ATOM 762 CE LYS A 48 6.166 9.008 6.455 1.00 20.04 C ATOM 763 NZ LYS A 48 7.052 8.332 7.313 1.00 23.92 N ATOM 0 H LYS A 48 2.666 5.806 9.363 1.00 10.47 H new ATOM 0 HA LYS A 48 0.881 7.964 9.330 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.175 9.329 7.723 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.013 9.116 9.248 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.535 7.554 8.221 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.675 7.685 6.700 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.275 10.078 6.553 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.107 9.973 8.091 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.927 8.372 5.602 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.650 9.902 6.061 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.936 8.125 6.806 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.258 8.929 8.139 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.618 7.441 7.629 1.00 23.92 H new ATOM 777 N GLN A 49 0.217 7.817 6.826 1.00 8.89 N ATOM 778 CA GLN A 49 -0.398 7.454 5.540 1.00 7.18 C ATOM 779 C GLN A 49 0.568 7.748 4.382 1.00 8.23 C ATOM 780 O GLN A 49 1.120 8.844 4.227 1.00 9.70 O ATOM 781 CB GLN A 49 -1.746 8.289 5.385 1.00 11.67 C ATOM 782 CG GLN A 49 -2.473 8.001 4.043 1.00 15.82 C ATOM 783 CD GLN A 49 -3.749 8.823 3.961 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.165 9.622 4.847 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.477 8.652 2.813 1.00 20.67 N ATOM 0 H GLN A 49 -0.108 8.709 7.200 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.621 6.387 5.514 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.413 8.053 6.214 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.520 9.353 5.451 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.819 8.244 3.205 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.708 6.939 3.967 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.149 8.009 2.092 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.347 9.168 2.679 1.00 20.67 H new ATOM 794 N LEU A 50 0.894 6.755 3.537 1.00 6.51 N ATOM 795 CA LEU A 50 1.725 6.842 2.306 1.00 7.41 C ATOM 796 C LEU A 50 0.962 7.445 1.168 1.00 8.27 C ATOM 797 O LEU A 50 -0.155 7.053 0.853 1.00 8.34 O ATOM 798 CB LEU A 50 2.330 5.486 1.927 1.00 7.13 C ATOM 799 CG LEU A 50 3.074 4.674 3.092 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.570 3.300 2.581 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.164 5.415 3.910 1.00 9.11 C ATOM 0 H LEU A 50 0.566 5.803 3.699 1.00 6.51 H new ATOM 0 HA LEU A 50 2.557 7.510 2.529 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.533 4.857 1.531 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.042 5.646 1.117 1.00 7.13 H new ATOM 0 HG LEU A 50 2.289 4.539 3.836 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.071 2.770 3.391 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.720 2.713 2.234 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.269 3.449 1.758 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.577 4.741 4.660 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.959 5.745 3.241 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.723 6.280 4.404 1.00 9.11 H new ATOM 813 N GLU A 51 1.528 8.563 0.556 1.00 9.43 N ATOM 814 CA GLU A 51 0.814 9.322 -0.488 1.00 11.90 C ATOM 815 C GLU A 51 1.186 8.775 -1.890 1.00 11.49 C ATOM 816 O GLU A 51 2.175 8.111 -2.130 1.00 9.88 O ATOM 817 CB GLU A 51 1.117 10.827 -0.490 1.00 16.56 C ATOM 818 CG GLU A 51 0.731 11.493 0.912 1.00 26.06 C ATOM 819 CD GLU A 51 0.787 13.007 0.814 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.830 13.590 0.451 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.316 13.576 0.973 1.00 33.44 O ATOM 0 H GLU A 51 2.454 8.927 0.781 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.244 9.192 -0.261 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.176 10.988 -0.693 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.561 11.312 -1.292 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.270 11.178 1.208 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.416 11.147 1.687 1.00 26.06 H new ATOM 828 N ASP A 52 0.236 8.906 -2.809 1.00 12.71 N ATOM 829 CA ASP A 52 0.131 8.179 -4.014 1.00 16.56 C ATOM 830 C ASP A 52 1.333 8.338 -4.960 1.00 15.83 C ATOM 831 O ASP A 52 1.829 7.296 -5.399 1.00 17.21 O ATOM 832 CB ASP A 52 -1.193 8.585 -4.778 1.00 21.05 C ATOM 833 CG ASP A 52 -2.243 8.282 -3.756 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.573 7.083 -3.529 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.829 9.255 -3.191 1.00 28.37 O ATOM 0 H ASP A 52 -0.523 9.578 -2.698 1.00 12.71 H new ATOM 0 HA ASP A 52 0.108 7.129 -3.721 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.193 9.637 -5.065 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.332 8.006 -5.691 1.00 21.05 H new ATOM 840 N GLY A 53 1.871 9.538 -5.147 1.00 15.00 N ATOM 841 CA GLY A 53 2.854 9.805 -6.198 1.00 11.77 C ATOM 842 C GLY A 53 4.250 9.762 -5.601 1.00 11.10 C ATOM 843 O GLY A 53 5.239 10.265 -6.089 1.00 11.25 O ATOM 0 H GLY A 53 1.641 10.353 -4.578 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.763 9.065 -6.993 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.668 10.781 -6.647 1.00 11.77 H new ATOM 847 N ARG A 54 4.428 9.199 -4.415 1.00 8.53 N ATOM 848 CA ARG A 54 5.756 8.970 -3.904 1.00 9.05 C ATOM 849 C ARG A 54 6.080 7.522 -4.086 1.00 8.96 C ATOM 850 O ARG A 54 5.165 6.691 -4.111 1.00 11.60 O ATOM 851 CB ARG A 54 5.826 9.285 -2.391 1.00 7.97 C ATOM 852 CG ARG A 54 4.978 10.503 -1.942 1.00 9.62 C ATOM 853 CD ARG A 54 5.349 11.769 -2.613 1.00 12.20 C ATOM 854 NE ARG A 54 4.453 12.832 -1.956 1.00 18.23 N ATOM 855 CZ ARG A 54 3.531 13.424 -2.667 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.703 13.535 -3.993 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.399 13.897 -2.144 1.00 23.38 N ATOM 0 H ARG A 54 3.673 8.898 -3.799 1.00 8.53 H new ATOM 0 HA ARG A 54 6.456 9.614 -4.437 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.498 8.407 -1.835 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.866 9.464 -2.119 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.926 10.294 -2.138 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.083 10.629 -0.864 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.405 11.998 -2.471 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.176 11.714 -3.688 1.00 12.20 H new ATOM 0 HE ARG A 54 4.578 13.073 -0.973 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.544 13.160 -4.431 1.00 25.50 H new ATOM 0 HH12 ARG A 54 2.993 13.994 -4.563 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.221 13.804 -1.144 1.00 23.38 H new ATOM 0 HH22 ARG A 54 1.711 14.352 -2.744 1.00 23.38 H new ATOM 871 N THR A 55 7.405 7.145 -4.120 1.00 9.05 N ATOM 872 CA THR A 55 7.793 5.753 -4.143 1.00 9.03 C ATOM 873 C THR A 55 8.136 5.144 -2.815 1.00 8.15 C ATOM 874 O THR A 55 8.379 5.713 -1.741 1.00 5.91 O ATOM 875 CB THR A 55 8.946 5.434 -5.116 1.00 11.15 C ATOM 876 OG1 THR A 55 10.157 5.971 -4.610 1.00 11.95 O ATOM 877 CG2 THR A 55 8.669 6.132 -6.535 1.00 11.71 C ATOM 0 H THR A 55 8.185 7.802 -4.131 1.00 9.05 H new ATOM 0 HA THR A 55 6.869 5.295 -4.495 1.00 9.03 H new ATOM 0 HB THR A 55 9.016 4.352 -5.226 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.028 6.917 -4.388 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.487 5.903 -7.219 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.734 5.756 -6.949 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.598 7.212 -6.402 1.00 11.71 H new ATOM 885 N LEU A 56 8.172 3.804 -2.871 1.00 6.91 N ATOM 886 CA LEU A 56 8.719 2.946 -1.804 1.00 8.29 C ATOM 887 C LEU A 56 10.137 3.258 -1.365 1.00 8.05 C ATOM 888 O LEU A 56 10.438 3.335 -0.180 1.00 10.17 O ATOM 889 CB LEU A 56 8.722 1.445 -2.296 1.00 6.60 C ATOM 890 CG LEU A 56 7.265 0.920 -2.482 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.341 -0.398 -3.293 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.448 0.765 -1.200 1.00 8.64 C ATOM 0 H LEU A 56 7.818 3.277 -3.669 1.00 6.91 H new ATOM 0 HA LEU A 56 8.070 3.133 -0.948 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.264 1.368 -3.238 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.248 0.822 -1.573 1.00 6.60 H new ATOM 0 HG LEU A 56 6.708 1.685 -3.022 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.336 -0.793 -3.441 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.801 -0.203 -4.262 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.940 -1.127 -2.747 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.453 0.394 -1.445 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.945 0.058 -0.535 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.363 1.732 -0.704 1.00 8.64 H new ATOM 904 N SER A 57 10.927 3.580 -2.360 1.00 8.92 N ATOM 905 CA SER A 57 12.228 4.132 -2.147 1.00 9.00 C ATOM 906 C SER A 57 12.249 5.509 -1.536 1.00 9.44 C ATOM 907 O SER A 57 13.084 5.694 -0.605 1.00 10.91 O ATOM 908 CB SER A 57 13.172 4.255 -3.383 1.00 10.32 C ATOM 909 OG SER A 57 14.590 4.107 -3.020 1.00 13.59 O ATOM 0 H SER A 57 10.678 3.463 -3.342 1.00 8.92 H new ATOM 0 HA SER A 57 12.597 3.363 -1.468 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.906 3.495 -4.117 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.020 5.224 -3.858 1.00 10.32 H new ATOM 0 HG SER A 57 15.144 4.189 -3.824 1.00 13.59 H new ATOM 915 N ASP A 58 11.321 6.460 -1.870 1.00 9.11 N ATOM 916 CA ASP A 58 11.361 7.755 -1.127 1.00 7.91 C ATOM 917 C ASP A 58 11.039 7.627 0.407 1.00 9.12 C ATOM 918 O ASP A 58 11.656 8.184 1.314 1.00 8.61 O ATOM 919 CB ASP A 58 10.313 8.748 -1.629 1.00 8.41 C ATOM 920 CG ASP A 58 10.682 9.139 -2.969 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.734 9.817 -3.117 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.885 8.788 -3.860 1.00 11.70 O ATOM 0 H ASP A 58 10.598 6.369 -2.584 1.00 9.11 H new ATOM 0 HA ASP A 58 12.385 8.089 -1.294 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.322 8.294 -1.623 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.268 9.619 -0.975 1.00 8.41 H new ATOM 927 N TYR A 59 10.062 6.784 0.814 1.00 7.97 N ATOM 928 CA TYR A 59 9.658 6.378 2.143 1.00 8.45 C ATOM 929 C TYR A 59 10.584 5.382 2.764 1.00 10.98 C ATOM 930 O TYR A 59 10.420 5.051 3.978 1.00 12.95 O ATOM 931 CB TYR A 59 8.295 5.829 2.014 1.00 7.94 C ATOM 932 CG TYR A 59 7.360 6.950 1.871 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.224 7.905 2.885 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.278 6.847 0.869 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.257 8.884 2.833 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.211 7.807 0.960 1.00 6.52 C ATOM 937 CZ TYR A 59 5.200 8.794 1.943 1.00 6.76 C ATOM 938 OH TYR A 59 4.007 9.605 1.986 1.00 7.63 O ATOM 0 H TYR A 59 9.477 6.326 0.115 1.00 7.97 H new ATOM 0 HA TYR A 59 9.687 7.238 2.813 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.232 5.169 1.149 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.041 5.232 2.890 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.895 7.873 3.731 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.288 6.085 0.103 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.324 9.734 3.496 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.399 7.762 0.249 1.00 6.52 H new ATOM 0 HH TYR A 59 4.007 10.227 1.229 1.00 7.63 H new ATOM 948 N ASN A 60 11.579 4.849 2.002 1.00 12.38 N ATOM 949 CA ASN A 60 12.632 3.949 2.492 1.00 13.94 C ATOM 950 C ASN A 60 11.987 2.677 3.076 1.00 14.16 C ATOM 951 O ASN A 60 12.370 2.249 4.126 1.00 14.26 O ATOM 952 CB ASN A 60 13.568 4.707 3.480 1.00 19.23 C ATOM 953 CG ASN A 60 14.282 5.865 2.811 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.064 7.030 3.088 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.319 5.463 1.990 1.00 24.09 N ATOM 0 H ASN A 60 11.662 5.046 1.005 1.00 12.38 H new ATOM 0 HA ASN A 60 13.274 3.620 1.675 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.982 5.079 4.321 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.304 4.013 3.886 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.946 6.157 1.584 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.457 4.472 1.790 1.00 24.09 H new ATOM 962 N ILE A 61 11.079 2.090 2.277 1.00 11.08 N ATOM 963 CA ILE A 61 10.414 0.838 2.658 1.00 11.78 C ATOM 964 C ILE A 61 11.238 -0.346 2.182 1.00 13.74 C ATOM 965 O ILE A 61 11.794 -0.323 1.091 1.00 14.60 O ATOM 966 CB ILE A 61 8.962 0.742 2.181 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.184 1.902 2.892 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.261 -0.599 2.535 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.983 2.366 2.048 1.00 11.42 C ATOM 0 H ILE A 61 10.792 2.461 1.371 1.00 11.08 H new ATOM 0 HA ILE A 61 10.356 0.825 3.746 1.00 11.78 H new ATOM 0 HB ILE A 61 8.961 0.808 1.093 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.837 1.565 3.869 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.857 2.742 3.065 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.237 -0.584 2.161 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.803 -1.425 2.075 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.250 -0.729 3.617 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.463 3.171 2.567 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.335 2.725 1.081 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.299 1.530 1.898 1.00 11.42 H new ATOM 981 N GLN A 62 11.374 -1.328 3.102 1.00 13.97 N ATOM 982 CA GLN A 62 12.308 -2.442 2.912 1.00 15.52 C ATOM 983 C GLN A 62 11.693 -3.773 2.589 1.00 13.94 C ATOM 984 O GLN A 62 10.512 -4.054 2.833 1.00 12.15 O ATOM 985 CB GLN A 62 13.253 -2.516 4.171 1.00 19.53 C ATOM 986 CG GLN A 62 14.182 -1.345 4.287 1.00 26.38 C ATOM 987 CD GLN A 62 15.065 -1.531 5.491 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.604 -2.123 6.479 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.312 -0.954 5.574 1.00 32.71 N ATOM 0 H GLN A 62 10.849 -1.365 3.976 1.00 13.97 H new ATOM 0 HA GLN A 62 12.875 -2.222 2.007 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.642 -2.576 5.072 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.840 -3.433 4.122 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.789 -1.257 3.386 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.612 -0.421 4.379 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.702 -0.464 4.769 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.846 -1.016 6.441 1.00 32.71 H new ATOM 998 N LYS A 63 12.553 -4.662 2.054 1.00 11.73 N ATOM 999 CA LYS A 63 12.403 -6.106 1.873 1.00 11.97 C ATOM 1000 C LYS A 63 11.654 -6.814 3.049 1.00 10.41 C ATOM 1001 O LYS A 63 11.977 -6.655 4.206 1.00 9.59 O ATOM 1002 CB LYS A 63 13.763 -6.825 1.551 1.00 13.73 C ATOM 1003 CG LYS A 63 13.558 -8.217 1.091 1.00 16.98 C ATOM 1004 CD LYS A 63 14.683 -8.768 0.252 1.00 20.19 C ATOM 1005 CE LYS A 63 16.022 -8.846 1.045 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.005 -9.907 2.078 1.00 25.97 N ATOM 0 H LYS A 63 13.458 -4.347 1.705 1.00 11.73 H new ATOM 0 HA LYS A 63 11.764 -6.206 0.996 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.297 -6.264 0.784 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.392 -6.826 2.441 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.423 -8.858 1.962 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.634 -8.264 0.514 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.415 -9.763 -0.105 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.820 -8.140 -0.628 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.842 -9.031 0.351 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.217 -7.884 1.519 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.917 -9.919 2.578 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.240 -9.718 2.757 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.846 -10.830 1.625 1.00 25.97 H new ATOM 1020 N GLU A 64 10.511 -7.479 2.734 1.00 10.04 N ATOM 1021 CA GLU A 64 9.687 -8.215 3.681 1.00 10.94 C ATOM 1022 C GLU A 64 8.964 -7.364 4.728 1.00 9.74 C ATOM 1023 O GLU A 64 8.472 -7.856 5.775 1.00 9.42 O ATOM 1024 CB GLU A 64 10.393 -9.402 4.332 1.00 18.31 C ATOM 1025 CG GLU A 64 10.505 -10.545 3.238 1.00 24.16 C ATOM 1026 CD GLU A 64 11.167 -11.760 3.802 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.534 -12.583 4.519 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.363 -11.968 3.447 1.00 31.72 O ATOM 0 H GLU A 64 10.143 -7.508 1.783 1.00 10.04 H new ATOM 0 HA GLU A 64 8.905 -8.615 3.035 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.382 -9.113 4.687 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.833 -9.754 5.199 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.511 -10.804 2.874 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.073 -10.180 2.382 1.00 24.16 H new ATOM 1035 N SER A 65 8.825 -6.042 4.490 1.00 6.85 N ATOM 1036 CA SER A 65 8.194 -5.210 5.441 1.00 6.90 C ATOM 1037 C SER A 65 6.725 -5.347 5.316 1.00 4.72 C ATOM 1038 O SER A 65 6.206 -5.664 4.268 1.00 3.91 O ATOM 1039 CB SER A 65 8.589 -3.672 5.295 1.00 7.28 C ATOM 1040 OG SER A 65 8.171 -2.947 6.421 1.00 10.56 O ATOM 0 H SER A 65 9.149 -5.567 3.647 1.00 6.85 H new ATOM 0 HA SER A 65 8.538 -5.537 6.422 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.668 -3.578 5.175 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.131 -3.257 4.397 1.00 7.28 H new ATOM 0 HG SER A 65 8.199 -1.988 6.221 1.00 10.56 H new ATOM 1046 N THR A 66 5.940 -5.025 6.393 1.00 4.48 N ATOM 1047 CA THR A 66 4.424 -5.044 6.457 1.00 3.80 C ATOM 1048 C THR A 66 3.880 -3.705 6.426 1.00 4.60 C ATOM 1049 O THR A 66 4.202 -2.932 7.345 1.00 5.33 O ATOM 1050 CB THR A 66 3.865 -5.786 7.700 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.354 -7.107 7.884 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.291 -5.821 7.693 1.00 3.40 C ATOM 0 H THR A 66 6.353 -4.733 7.279 1.00 4.48 H new ATOM 0 HA THR A 66 4.109 -5.597 5.572 1.00 3.80 H new ATOM 0 HB THR A 66 4.232 -5.197 8.540 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.694 -7.451 7.032 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.935 -6.348 8.578 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.904 -4.802 7.698 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.943 -6.337 6.798 1.00 3.40 H new ATOM 1060 N LEU A 67 3.116 -3.333 5.429 1.00 4.17 N ATOM 1061 CA LEU A 67 2.321 -2.139 5.333 1.00 3.85 C ATOM 1062 C LEU A 67 0.866 -2.447 5.726 1.00 3.80 C ATOM 1063 O LEU A 67 0.290 -3.536 5.425 1.00 5.54 O ATOM 1064 CB LEU A 67 2.315 -1.625 3.840 1.00 7.18 C ATOM 1065 CG LEU A 67 3.736 -1.601 3.216 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.606 -1.022 1.807 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.663 -0.661 3.912 1.00 11.66 C ATOM 0 H LEU A 67 3.029 -3.910 4.592 1.00 4.17 H new ATOM 0 HA LEU A 67 2.744 -1.386 5.998 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.669 -2.266 3.241 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.889 -0.622 3.806 1.00 7.18 H new ATOM 0 HG LEU A 67 4.125 -2.618 3.271 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.588 -0.989 1.335 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.940 -1.650 1.216 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.197 -0.013 1.864 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.640 -0.689 3.429 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.262 0.351 3.860 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.765 -0.957 4.956 1.00 11.66 H new ATOM 1079 N HIS A 68 0.259 -1.504 6.415 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.112 -1.665 6.856 1.00 4.17 C ATOM 1081 C HIS A 68 -2.135 -1.036 5.881 1.00 5.32 C ATOM 1082 O HIS A 68 -1.946 0.061 5.358 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.323 -0.997 8.229 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.445 -1.464 9.340 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.597 -2.601 10.108 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.835 -0.969 9.672 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.508 -2.666 10.878 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.440 -1.762 10.611 1.00 16.30 N ATOM 0 H HIS A 68 0.691 -0.619 6.682 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.279 -2.741 6.906 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.181 0.077 8.111 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.360 -1.150 8.527 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.278 -0.083 9.243 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.626 -3.403 11.658 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.376 -1.678 11.007 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.285 -1.768 5.581 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.257 -1.325 4.580 1.00 3.97 C ATOM 1098 C LEU A 69 -5.542 -0.976 5.341 1.00 5.07 C ATOM 1099 O LEU A 69 -6.056 -1.774 6.133 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.551 -2.531 3.546 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.695 -2.357 2.566 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.600 -1.055 1.705 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.933 -3.580 1.659 1.00 9.96 C ATOM 0 H LEU A 69 -3.525 -2.651 6.032 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.886 -0.469 4.017 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.642 -2.709 2.972 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.742 -3.432 4.128 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.565 -2.257 3.215 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.454 -1.003 1.029 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.602 -0.184 2.361 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.678 -1.069 1.124 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.767 -3.378 0.987 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.035 -3.779 1.074 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.165 -4.449 2.274 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.100 0.223 5.081 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.430 0.601 5.522 1.00 6.26 C ATOM 1117 C VAL A 70 -8.126 1.149 4.338 1.00 9.22 C ATOM 1118 O VAL A 70 -7.513 1.574 3.325 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.576 1.626 6.621 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.856 1.128 7.911 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.917 2.966 6.178 1.00 8.54 C ATOM 0 H VAL A 70 -5.624 0.954 4.553 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.834 -0.313 5.958 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.637 1.775 6.821 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.966 1.873 8.699 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.301 0.187 8.236 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.797 0.975 7.701 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.024 3.704 6.973 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.859 2.801 5.975 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.407 3.331 5.275 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.439 1.068 4.272 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.284 1.499 3.210 1.00 16.06 C ATOM 1133 C LEU A 71 -11.200 2.577 3.613 1.00 18.09 C ATOM 1134 O LEU A 71 -11.731 2.514 4.684 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.080 0.351 2.709 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.263 -0.828 2.184 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.263 -2.014 1.857 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.277 -0.538 1.072 1.00 19.57 C ATOM 0 H LEU A 71 -9.977 0.660 5.036 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.635 1.893 2.428 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.723 -0.003 3.514 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.733 0.703 1.911 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.577 -1.115 2.980 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.702 -2.869 1.480 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.796 -2.301 2.763 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.979 -1.688 1.103 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.763 -1.458 0.792 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.810 -0.142 0.207 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.547 0.195 1.415 1.00 19.57 H new