USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.0995 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.0975 X(o=0.2,f=0.073) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.805 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.267) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.28 (180deg=0.967) 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+ 168:sc= 1.12 (180deg=0.59) 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 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.16) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.348 K(o=0.35,f=-4.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.0082) USER MOD Single : A 55 THR OG1 : rot -67:sc= 1.16 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.897 USER MOD Single : A 60 ASN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.106 1.083 -0.955 1.00 9.67 N ATOM 2 CA MET A 1 -14.021 1.968 0.229 1.00 10.38 C ATOM 3 C MET A 1 -12.725 2.701 0.284 1.00 9.62 C ATOM 4 O MET A 1 -11.765 2.273 -0.355 1.00 9.62 O ATOM 5 CB MET A 1 -14.353 1.186 1.511 1.00 13.77 C ATOM 6 CG MET A 1 -13.496 -0.035 1.848 1.00 16.29 C ATOM 7 SD MET A 1 -11.704 0.167 2.081 1.00 17.17 S ATOM 8 CE MET A 1 -11.271 -1.586 1.883 1.00 16.11 C ATOM 0 H1 MET A 1 -14.733 0.281 -0.744 1.00 9.67 H new ATOM 0 H2 MET A 1 -14.487 1.618 -1.762 1.00 9.67 H new ATOM 0 H3 MET A 1 -13.158 0.728 -1.192 1.00 9.67 H new ATOM 0 HA MET A 1 -14.778 2.747 0.139 1.00 10.38 H new ATOM 0 HB2 MET A 1 -14.292 1.879 2.350 1.00 13.77 H new ATOM 0 HB3 MET A 1 -15.390 0.858 1.443 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.897 -0.474 2.762 1.00 16.29 H new ATOM 0 HG3 MET A 1 -13.642 -0.766 1.053 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.244 -1.747 2.212 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.945 -2.197 2.483 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.364 -1.867 0.834 1.00 16.11 H new ATOM 20 N GLN A 2 -12.614 3.784 1.073 1.00 9.27 N ATOM 21 CA GLN A 2 -11.409 4.551 1.150 1.00 9.07 C ATOM 22 C GLN A 2 -10.544 4.169 2.301 1.00 8.72 C ATOM 23 O GLN A 2 -11.003 4.028 3.433 1.00 8.22 O ATOM 24 CB GLN A 2 -11.799 6.036 1.237 1.00 14.46 C ATOM 25 CG GLN A 2 -12.515 6.586 2.472 1.00 17.01 C ATOM 26 CD GLN A 2 -12.566 8.106 2.546 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.837 8.781 3.271 1.00 21.89 O ATOM 28 NE2 GLN A 2 -13.519 8.768 1.838 1.00 19.49 N ATOM 0 H GLN A 2 -13.369 4.132 1.665 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.816 4.352 0.257 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.884 6.615 1.113 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -12.433 6.252 0.377 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -13.534 6.199 2.488 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -12.016 6.208 3.364 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -14.148 8.252 1.223 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -13.605 9.781 1.922 1.00 19.49 H new ATOM 37 N ILE A 3 -9.226 3.999 2.090 1.00 5.87 N ATOM 38 CA ILE A 3 -8.306 3.881 3.178 1.00 5.07 C ATOM 39 C ILE A 3 -7.363 5.034 3.208 1.00 4.01 C ATOM 40 O ILE A 3 -7.314 5.854 2.293 1.00 4.61 O ATOM 41 CB ILE A 3 -7.683 2.517 3.205 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.691 2.278 2.054 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.833 1.496 3.204 1.00 5.58 C ATOM 44 CD1 ILE A 3 -6.077 0.883 1.947 1.00 10.83 C ATOM 0 H ILE A 3 -8.798 3.943 1.166 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.838 3.951 4.127 1.00 5.07 H new ATOM 0 HB ILE A 3 -7.076 2.411 4.104 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.201 2.497 1.116 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.879 2.999 2.151 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -8.423 0.486 3.223 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -9.458 1.651 4.084 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.434 1.626 2.304 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.397 0.849 1.095 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.526 0.657 2.860 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.869 0.147 1.809 1.00 10.83 H new ATOM 56 N PHE A 4 -6.577 5.114 4.297 1.00 4.55 N ATOM 57 CA PHE A 4 -5.539 6.096 4.354 1.00 4.68 C ATOM 58 C PHE A 4 -4.188 5.484 4.218 1.00 5.30 C ATOM 59 O PHE A 4 -3.827 4.488 4.842 1.00 5.58 O ATOM 60 CB PHE A 4 -5.509 6.983 5.610 1.00 4.83 C ATOM 61 CG PHE A 4 -6.778 7.734 5.823 1.00 7.97 C ATOM 62 CD1 PHE A 4 -7.151 8.628 4.846 1.00 8.34 C ATOM 63 CD2 PHE A 4 -7.534 7.597 6.963 1.00 6.69 C ATOM 64 CE1 PHE A 4 -8.356 9.275 4.988 1.00 10.61 C ATOM 65 CE2 PHE A 4 -8.722 8.274 7.110 1.00 9.10 C ATOM 66 CZ PHE A 4 -9.102 9.170 6.139 1.00 8.90 C ATOM 0 H PHE A 4 -6.656 4.515 5.119 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.787 6.738 3.509 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.311 6.361 6.483 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.684 7.691 5.529 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -6.516 8.816 3.993 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.190 6.948 7.755 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -8.726 9.881 4.175 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -9.347 8.104 7.975 1.00 9.10 H new ATOM 0 HZ PHE A 4 -9.978 9.786 6.279 1.00 8.90 H new ATOM 76 N VAL A 5 -3.286 6.074 3.413 1.00 4.44 N ATOM 77 CA VAL A 5 -1.954 5.558 3.357 1.00 3.87 C ATOM 78 C VAL A 5 -1.144 6.720 3.820 1.00 4.93 C ATOM 79 O VAL A 5 -1.363 7.821 3.317 1.00 6.84 O ATOM 80 CB VAL A 5 -1.488 5.131 1.997 1.00 2.99 C ATOM 81 CG1 VAL A 5 -0.029 4.664 2.132 1.00 5.28 C ATOM 82 CG2 VAL A 5 -2.346 3.952 1.509 1.00 9.13 C ATOM 0 H VAL A 5 -3.469 6.882 2.819 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.872 4.647 3.950 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.572 5.954 1.287 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.343 4.345 1.158 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.583 5.486 2.503 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.023 3.829 2.831 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -2.008 3.641 0.521 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.249 3.119 2.205 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -3.390 4.260 1.455 1.00 9.13 H new ATOM 92 N LYS A 6 -0.247 6.564 4.810 1.00 6.04 N ATOM 93 CA LYS A 6 0.538 7.648 5.312 1.00 6.12 C ATOM 94 C LYS A 6 1.994 7.373 5.159 1.00 6.57 C ATOM 95 O LYS A 6 2.530 6.347 5.573 1.00 5.76 O ATOM 96 CB LYS A 6 0.293 8.018 6.785 1.00 7.45 C ATOM 97 CG LYS A 6 0.718 9.411 7.253 1.00 11.12 C ATOM 98 CD LYS A 6 0.651 9.560 8.774 1.00 14.54 C ATOM 99 CE LYS A 6 0.825 10.981 9.314 1.00 18.84 C ATOM 100 NZ LYS A 6 0.762 11.045 10.791 1.00 20.55 N ATOM 0 H LYS A 6 -0.064 5.672 5.269 1.00 6.04 H new ATOM 0 HA LYS A 6 0.214 8.494 4.706 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.773 7.909 6.984 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.810 7.285 7.404 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.735 9.610 6.915 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.076 10.159 6.789 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.311 9.178 9.115 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.421 8.927 9.216 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.783 11.378 8.978 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.050 11.622 8.894 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.886 12.030 11.101 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.162 10.693 11.115 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.518 10.457 11.197 1.00 20.55 H new ATOM 114 N THR A 7 2.719 8.248 4.440 1.00 7.41 N ATOM 115 CA THR A 7 4.095 8.138 4.063 1.00 7.48 C ATOM 116 C THR A 7 4.958 8.291 5.268 1.00 8.75 C ATOM 117 O THR A 7 4.589 8.877 6.285 1.00 8.58 O ATOM 118 CB THR A 7 4.495 9.124 3.007 1.00 9.61 C ATOM 119 OG1 THR A 7 4.015 10.435 3.266 1.00 11.78 O ATOM 120 CG2 THR A 7 3.814 8.703 1.693 1.00 9.17 C ATOM 0 H THR A 7 2.302 9.111 4.091 1.00 7.41 H new ATOM 0 HA THR A 7 4.232 7.148 3.628 1.00 7.48 H new ATOM 0 HB THR A 7 5.584 9.132 2.973 1.00 9.61 H new ATOM 0 HG1 THR A 7 4.305 11.037 2.549 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.086 9.402 0.902 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.141 7.700 1.419 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.732 8.708 1.826 1.00 9.17 H new ATOM 128 N LEU A 8 6.228 7.879 5.108 1.00 9.84 N ATOM 129 CA LEU A 8 7.244 8.051 6.100 1.00 14.15 C ATOM 130 C LEU A 8 7.481 9.494 6.382 1.00 17.37 C ATOM 131 O LEU A 8 7.609 9.964 7.512 1.00 17.01 O ATOM 132 CB LEU A 8 8.474 7.305 5.556 1.00 16.63 C ATOM 133 CG LEU A 8 9.830 7.601 6.220 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.892 7.161 7.692 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.054 7.061 5.462 1.00 19.31 C ATOM 0 H LEU A 8 6.558 7.412 4.263 1.00 9.84 H new ATOM 0 HA LEU A 8 6.963 7.640 7.070 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.284 6.235 5.640 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.562 7.531 4.493 1.00 16.63 H new ATOM 0 HG LEU A 8 9.889 8.689 6.177 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.874 7.398 8.101 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.125 7.686 8.261 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.721 6.087 7.758 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.962 7.319 6.007 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.979 5.977 5.374 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.090 7.504 4.467 1.00 19.31 H new ATOM 147 N THR A 9 7.555 10.303 5.310 1.00 18.33 N ATOM 148 CA THR A 9 7.787 11.704 5.478 1.00 19.24 C ATOM 149 C THR A 9 6.650 12.409 6.135 1.00 19.48 C ATOM 150 O THR A 9 6.877 13.227 7.024 1.00 23.14 O ATOM 151 CB THR A 9 8.108 12.540 4.274 1.00 18.97 C ATOM 152 OG1 THR A 9 7.285 12.192 3.171 1.00 20.24 O ATOM 153 CG2 THR A 9 9.532 12.096 3.897 1.00 19.70 C ATOM 0 H THR A 9 7.456 9.994 4.343 1.00 18.33 H new ATOM 0 HA THR A 9 8.689 11.640 6.086 1.00 19.24 H new ATOM 0 HB THR A 9 7.980 13.601 4.488 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.515 12.754 2.401 1.00 20.24 H new ATOM 0 HG21 THR A 9 9.866 12.651 3.020 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.207 12.293 4.730 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.533 11.029 3.673 1.00 19.70 H new ATOM 161 N GLY A 10 5.403 12.258 5.653 1.00 19.43 N ATOM 162 CA GLY A 10 4.190 12.567 6.343 1.00 18.74 C ATOM 163 C GLY A 10 3.079 13.236 5.608 1.00 17.62 C ATOM 164 O GLY A 10 2.676 14.350 5.937 1.00 19.74 O ATOM 0 H GLY A 10 5.232 11.894 4.715 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.798 11.634 6.749 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.449 13.200 7.191 1.00 18.74 H new ATOM 168 N LYS A 11 2.584 12.573 4.548 1.00 13.56 N ATOM 169 CA LYS A 11 1.419 13.019 3.849 1.00 11.91 C ATOM 170 C LYS A 11 0.354 11.987 3.997 1.00 10.18 C ATOM 171 O LYS A 11 0.673 10.802 4.074 1.00 9.10 O ATOM 172 CB LYS A 11 1.778 13.274 2.376 1.00 13.43 C ATOM 173 CG LYS A 11 0.688 14.002 1.586 1.00 16.69 C ATOM 174 CD LYS A 11 1.205 14.422 0.208 1.00 17.92 C ATOM 175 CE LYS A 11 0.138 14.830 -0.810 1.00 20.81 C ATOM 176 NZ LYS A 11 0.613 14.812 -2.212 1.00 21.93 N ATOM 0 H LYS A 11 2.996 11.719 4.172 1.00 13.56 H new ATOM 0 HA LYS A 11 1.046 13.956 4.262 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.696 13.860 2.333 1.00 13.43 H new ATOM 0 HB3 LYS A 11 1.986 12.319 1.893 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -0.180 13.352 1.471 1.00 16.69 H new ATOM 0 HG3 LYS A 11 0.357 14.881 2.139 1.00 16.69 H new ATOM 0 HD2 LYS A 11 1.893 15.257 0.339 1.00 17.92 H new ATOM 0 HD3 LYS A 11 1.781 13.596 -0.210 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -0.716 14.159 -0.717 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -0.217 15.832 -0.569 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -0.200 14.898 -2.855 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 1.264 15.608 -2.368 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 1.109 13.917 -2.399 1.00 21.93 H new ATOM 190 N THR A 12 -0.895 12.431 4.224 1.00 9.63 N ATOM 191 CA THR A 12 -1.987 11.517 4.357 1.00 9.85 C ATOM 192 C THR A 12 -2.590 11.277 3.016 1.00 11.66 C ATOM 193 O THR A 12 -3.196 12.200 2.474 1.00 12.33 O ATOM 194 CB THR A 12 -2.956 12.013 5.390 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.327 12.045 6.663 1.00 10.91 O ATOM 196 CG2 THR A 12 -4.061 10.972 5.636 1.00 9.63 C ATOM 0 H THR A 12 -1.148 13.415 4.315 1.00 9.63 H new ATOM 0 HA THR A 12 -1.643 10.549 4.722 1.00 9.85 H new ATOM 0 HB THR A 12 -3.318 12.976 5.030 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.963 12.371 7.334 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.755 11.348 6.388 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.599 10.786 4.707 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.613 10.043 5.988 1.00 9.63 H new ATOM 204 N ILE A 13 -2.557 10.092 2.380 1.00 10.42 N ATOM 205 CA ILE A 13 -3.058 9.783 1.077 1.00 11.84 C ATOM 206 C ILE A 13 -4.418 9.202 1.263 1.00 10.55 C ATOM 207 O ILE A 13 -4.531 8.367 2.158 1.00 11.92 O ATOM 208 CB ILE A 13 -2.248 8.826 0.254 1.00 14.86 C ATOM 209 CG1 ILE A 13 -0.754 9.177 0.345 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.752 8.811 -1.199 1.00 17.08 C ATOM 211 CD1 ILE A 13 0.208 8.056 -0.049 1.00 16.46 C ATOM 0 H ILE A 13 -2.139 9.274 2.823 1.00 10.42 H new ATOM 0 HA ILE A 13 -3.033 10.717 0.516 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.370 7.818 0.650 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -0.561 10.039 -0.293 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.531 9.481 1.368 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.155 8.112 -1.784 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.797 8.500 -1.219 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.663 9.810 -1.625 1.00 17.08 H new ATOM 0 HD11 ILE A 13 1.235 8.407 0.050 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.053 7.197 0.604 1.00 16.46 H new ATOM 0 HD13 ILE A 13 0.023 7.764 -1.083 1.00 16.46 H new ATOM 223 N THR A 14 -5.428 9.561 0.450 1.00 9.39 N ATOM 224 CA THR A 14 -6.729 8.969 0.400 1.00 9.63 C ATOM 225 C THR A 14 -6.650 8.002 -0.730 1.00 11.20 C ATOM 226 O THR A 14 -6.306 8.491 -1.805 1.00 11.63 O ATOM 227 CB THR A 14 -7.869 9.937 0.290 1.00 10.38 C ATOM 228 OG1 THR A 14 -7.800 10.807 1.411 1.00 16.30 O ATOM 229 CG2 THR A 14 -9.209 9.183 0.337 1.00 11.66 C ATOM 0 H THR A 14 -5.326 10.322 -0.222 1.00 9.39 H new ATOM 0 HA THR A 14 -6.969 8.483 1.345 1.00 9.63 H new ATOM 0 HB THR A 14 -7.803 10.487 -0.649 1.00 10.38 H new ATOM 0 HG1 THR A 14 -8.534 11.455 1.368 1.00 16.30 H new ATOM 0 HG21 THR A 14 -10.030 9.895 0.256 1.00 11.66 H new ATOM 0 HG22 THR A 14 -9.258 8.477 -0.492 1.00 11.66 H new ATOM 0 HG23 THR A 14 -9.289 8.642 1.280 1.00 11.66 H new ATOM 237 N LEU A 15 -6.892 6.694 -0.528 1.00 8.29 N ATOM 238 CA LEU A 15 -6.868 5.713 -1.568 1.00 9.03 C ATOM 239 C LEU A 15 -8.126 4.937 -1.760 1.00 8.59 C ATOM 240 O LEU A 15 -8.868 4.572 -0.850 1.00 7.79 O ATOM 241 CB LEU A 15 -5.728 4.699 -1.376 1.00 11.08 C ATOM 242 CG LEU A 15 -5.008 4.185 -2.634 1.00 15.79 C ATOM 243 CD1 LEU A 15 -4.094 5.316 -3.134 1.00 15.27 C ATOM 244 CD2 LEU A 15 -4.287 2.887 -2.234 1.00 15.88 C ATOM 0 H LEU A 15 -7.112 6.307 0.390 1.00 8.29 H new ATOM 0 HA LEU A 15 -6.721 6.322 -2.460 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.981 5.153 -0.725 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -6.132 3.837 -0.845 1.00 11.08 H new ATOM 0 HG LEU A 15 -5.666 3.936 -3.466 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -3.565 4.988 -4.028 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -4.696 6.193 -3.370 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -3.372 5.570 -2.358 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -3.759 2.483 -3.098 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.572 3.098 -1.438 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -5.018 2.159 -1.882 1.00 15.88 H new ATOM 256 N GLU A 16 -8.549 4.686 -3.012 1.00 11.04 N ATOM 257 CA GLU A 16 -9.819 4.081 -3.268 1.00 11.50 C ATOM 258 C GLU A 16 -9.621 2.630 -3.545 1.00 10.13 C ATOM 259 O GLU A 16 -8.975 2.205 -4.502 1.00 9.83 O ATOM 260 CB GLU A 16 -10.508 5.010 -4.282 1.00 17.22 C ATOM 261 CG GLU A 16 -12.012 4.816 -4.488 1.00 23.33 C ATOM 262 CD GLU A 16 -12.578 5.886 -5.411 1.00 26.99 C ATOM 263 OE1 GLU A 16 -11.857 6.864 -5.745 1.00 28.90 O ATOM 264 OE2 GLU A 16 -13.741 5.724 -5.867 1.00 28.86 O ATOM 0 H GLU A 16 -8.009 4.903 -3.850 1.00 11.04 H new ATOM 0 HA GLU A 16 -10.529 4.015 -2.443 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -10.339 6.040 -3.968 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -10.015 4.885 -5.246 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -12.201 3.829 -4.911 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -12.522 4.854 -3.526 1.00 23.33 H new ATOM 271 N VAL A 17 -10.031 1.661 -2.708 1.00 8.99 N ATOM 272 CA VAL A 17 -9.776 0.256 -2.785 1.00 8.85 C ATOM 273 C VAL A 17 -10.879 -0.675 -2.415 1.00 8.04 C ATOM 274 O VAL A 17 -11.772 -0.298 -1.658 1.00 8.99 O ATOM 275 CB VAL A 17 -8.669 -0.227 -1.896 1.00 9.78 C ATOM 276 CG1 VAL A 17 -7.311 0.111 -2.534 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.811 0.353 -0.479 1.00 10.54 C ATOM 0 H VAL A 17 -10.601 1.888 -1.893 1.00 8.99 H new ATOM 0 HA VAL A 17 -9.561 0.214 -3.853 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.731 -1.310 -1.794 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.507 -0.241 -1.887 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -7.234 -0.377 -3.506 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.228 1.190 -2.662 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.997 -0.012 0.147 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.773 1.441 -0.526 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.764 0.041 -0.052 1.00 10.54 H new ATOM 287 N GLU A 18 -11.002 -1.923 -2.902 1.00 7.29 N ATOM 288 CA GLU A 18 -11.966 -2.823 -2.349 1.00 7.08 C ATOM 289 C GLU A 18 -11.501 -4.078 -1.693 1.00 6.45 C ATOM 290 O GLU A 18 -10.340 -4.353 -1.990 1.00 5.28 O ATOM 291 CB GLU A 18 -13.112 -3.174 -3.313 1.00 10.28 C ATOM 292 CG GLU A 18 -14.049 -1.997 -3.591 1.00 12.65 C ATOM 293 CD GLU A 18 -15.437 -2.530 -3.916 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.511 -3.177 -4.995 1.00 14.33 O ATOM 295 OE2 GLU A 18 -16.300 -2.496 -2.998 1.00 18.17 O ATOM 0 H GLU A 18 -10.444 -2.304 -3.666 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.311 -2.193 -1.529 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -12.691 -3.525 -4.255 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.689 -3.999 -2.895 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -14.093 -1.339 -2.723 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.670 -1.403 -4.423 1.00 12.65 H new ATOM 302 N PRO A 19 -12.118 -4.859 -0.857 1.00 7.24 N ATOM 303 CA PRO A 19 -11.430 -5.971 -0.268 1.00 7.07 C ATOM 304 C PRO A 19 -11.019 -7.082 -1.172 1.00 6.65 C ATOM 305 O PRO A 19 -10.135 -7.827 -0.754 1.00 6.37 O ATOM 306 CB PRO A 19 -12.290 -6.456 0.897 1.00 7.61 C ATOM 307 CG PRO A 19 -12.992 -5.193 1.421 1.00 8.16 C ATOM 308 CD PRO A 19 -13.141 -4.441 0.089 1.00 7.49 C ATOM 0 HA PRO A 19 -10.455 -5.605 0.055 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.013 -7.203 0.570 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -11.680 -6.920 1.672 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.950 -5.408 1.894 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -12.392 -4.647 2.149 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.129 -4.628 -0.331 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.066 -3.367 0.262 1.00 7.49 H new ATOM 316 N SER A 20 -11.565 -7.231 -2.393 1.00 6.80 N ATOM 317 CA SER A 20 -11.115 -8.273 -3.263 1.00 6.28 C ATOM 318 C SER A 20 -9.809 -8.000 -3.927 1.00 8.45 C ATOM 319 O SER A 20 -9.141 -8.911 -4.414 1.00 7.26 O ATOM 320 CB SER A 20 -12.053 -8.702 -4.404 1.00 8.57 C ATOM 321 OG SER A 20 -13.196 -9.331 -3.843 1.00 11.13 O ATOM 0 H SER A 20 -12.305 -6.641 -2.773 1.00 6.80 H new ATOM 0 HA SER A 20 -11.054 -9.076 -2.528 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.350 -7.835 -4.994 1.00 8.57 H new ATOM 0 HB3 SER A 20 -11.539 -9.386 -5.079 1.00 8.57 H new ATOM 0 HG SER A 20 -13.803 -9.608 -4.561 1.00 11.13 H new ATOM 327 N ASP A 21 -9.450 -6.704 -3.897 1.00 7.50 N ATOM 328 CA ASP A 21 -8.229 -6.255 -4.490 1.00 7.70 C ATOM 329 C ASP A 21 -7.048 -6.771 -3.742 1.00 7.08 C ATOM 330 O ASP A 21 -7.009 -7.021 -2.538 1.00 8.11 O ATOM 331 CB ASP A 21 -8.125 -4.723 -4.417 1.00 11.00 C ATOM 332 CG ASP A 21 -9.171 -4.095 -5.327 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.554 -4.718 -6.353 1.00 18.03 O ATOM 334 OD2 ASP A 21 -9.531 -2.904 -5.127 1.00 14.36 O ATOM 0 H ASP A 21 -10.005 -5.967 -3.462 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.236 -6.614 -5.519 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.273 -4.387 -3.391 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.128 -4.402 -4.717 1.00 11.00 H new ATOM 339 N THR A 22 -5.943 -6.925 -4.492 1.00 5.37 N ATOM 340 CA THR A 22 -4.683 -7.389 -3.999 1.00 6.01 C ATOM 341 C THR A 22 -3.751 -6.265 -3.703 1.00 8.01 C ATOM 342 O THR A 22 -4.011 -5.159 -4.174 1.00 8.11 O ATOM 343 CB THR A 22 -3.922 -8.386 -4.822 1.00 8.92 C ATOM 344 OG1 THR A 22 -3.626 -7.939 -6.136 1.00 10.22 O ATOM 345 CG2 THR A 22 -4.847 -9.589 -5.071 1.00 9.65 C ATOM 0 H THR A 22 -5.927 -6.716 -5.490 1.00 5.37 H new ATOM 0 HA THR A 22 -5.007 -7.922 -3.105 1.00 6.01 H new ATOM 0 HB THR A 22 -3.003 -8.587 -4.272 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.129 -8.635 -6.614 1.00 10.22 H new ATOM 0 HG21 THR A 22 -4.322 -10.334 -5.669 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.138 -10.028 -4.117 1.00 9.65 H new ATOM 0 HG23 THR A 22 -5.738 -9.258 -5.605 1.00 9.65 H new ATOM 353 N ILE A 23 -2.731 -6.483 -2.854 1.00 8.32 N ATOM 354 CA ILE A 23 -1.742 -5.550 -2.411 1.00 9.92 C ATOM 355 C ILE A 23 -0.870 -4.962 -3.466 1.00 10.01 C ATOM 356 O ILE A 23 -0.476 -3.803 -3.586 1.00 8.71 O ATOM 357 CB ILE A 23 -0.929 -5.994 -1.231 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.729 -6.570 -0.051 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.108 -4.944 -0.798 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.350 -5.527 0.877 1.00 12.30 C ATOM 0 H ILE A 23 -2.587 -7.403 -2.439 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.382 -4.736 -2.071 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.376 -6.855 -1.605 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.524 -7.203 -0.445 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.072 -7.211 0.536 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.668 -5.318 0.059 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.794 -4.749 -1.622 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.402 -4.020 -0.524 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.893 -6.029 1.677 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.563 -4.907 1.306 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.038 -4.899 0.310 1.00 12.30 H new ATOM 372 N GLU A 24 -0.644 -5.795 -4.498 1.00 9.54 N ATOM 373 CA GLU A 24 -0.154 -5.413 -5.786 1.00 11.81 C ATOM 374 C GLU A 24 -0.882 -4.278 -6.419 1.00 11.14 C ATOM 375 O GLU A 24 -0.290 -3.362 -6.988 1.00 10.62 O ATOM 376 CB GLU A 24 -0.284 -6.615 -6.738 1.00 19.24 C ATOM 377 CG GLU A 24 0.265 -6.356 -8.142 1.00 27.76 C ATOM 378 CD GLU A 24 0.183 -7.596 -9.021 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.934 -8.158 -9.172 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.238 -7.967 -9.602 1.00 34.80 O ATOM 0 H GLU A 24 -0.815 -6.798 -4.427 1.00 9.54 H new ATOM 0 HA GLU A 24 0.875 -5.091 -5.625 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.240 -7.467 -6.305 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.335 -6.893 -6.815 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.294 -5.544 -8.607 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.302 -6.029 -8.072 1.00 27.76 H new ATOM 387 N ASN A 25 -2.226 -4.245 -6.370 1.00 9.43 N ATOM 388 CA ASN A 25 -2.956 -3.112 -6.848 1.00 10.96 C ATOM 389 C ASN A 25 -2.919 -1.877 -6.015 1.00 9.68 C ATOM 390 O ASN A 25 -3.201 -0.776 -6.487 1.00 9.33 O ATOM 391 CB ASN A 25 -4.441 -3.362 -7.161 1.00 16.78 C ATOM 392 CG ASN A 25 -4.544 -4.361 -8.305 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.666 -3.949 -9.457 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.324 -5.689 -8.108 1.00 24.70 N ATOM 0 H ASN A 25 -2.805 -4.999 -6.001 1.00 9.43 H new ATOM 0 HA ASN A 25 -2.386 -2.945 -7.762 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -4.952 -3.746 -6.278 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.931 -2.427 -7.432 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.263 -6.320 -8.907 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -4.220 -6.054 -7.161 1.00 24.70 H new ATOM 401 N VAL A 26 -2.573 -1.931 -4.717 1.00 6.52 N ATOM 402 CA VAL A 26 -2.427 -0.843 -3.800 1.00 5.53 C ATOM 403 C VAL A 26 -1.286 0.042 -4.168 1.00 4.42 C ATOM 404 O VAL A 26 -1.363 1.270 -4.189 1.00 3.40 O ATOM 405 CB VAL A 26 -2.471 -1.260 -2.360 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.235 -0.090 -1.390 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.847 -1.928 -2.200 1.00 8.12 C ATOM 0 H VAL A 26 -2.377 -2.825 -4.268 1.00 6.52 H new ATOM 0 HA VAL A 26 -3.316 -0.220 -3.901 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.663 -1.946 -2.104 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.279 -0.454 -0.363 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.254 0.347 -1.579 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.005 0.667 -1.539 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.969 -2.267 -1.171 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.630 -1.209 -2.441 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.918 -2.782 -2.874 1.00 8.12 H new ATOM 417 N LYS A 27 -0.187 -0.565 -4.651 1.00 2.64 N ATOM 418 CA LYS A 27 1.022 0.011 -5.153 1.00 4.14 C ATOM 419 C LYS A 27 0.821 0.727 -6.444 1.00 5.58 C ATOM 420 O LYS A 27 1.284 1.854 -6.612 1.00 4.11 O ATOM 421 CB LYS A 27 2.094 -1.089 -5.231 1.00 3.97 C ATOM 422 CG LYS A 27 2.813 -1.552 -3.963 1.00 7.45 C ATOM 423 CD LYS A 27 3.790 -2.649 -4.391 1.00 9.02 C ATOM 424 CE LYS A 27 4.688 -3.029 -3.212 1.00 12.90 C ATOM 425 NZ LYS A 27 5.367 -4.341 -3.295 1.00 15.47 N ATOM 0 H LYS A 27 -0.145 -1.583 -4.693 1.00 2.64 H new ATOM 0 HA LYS A 27 1.366 0.784 -4.466 1.00 4.14 H new ATOM 0 HB2 LYS A 27 1.625 -1.967 -5.676 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.858 -0.747 -5.930 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.343 -0.723 -3.493 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.101 -1.932 -3.230 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.240 -3.524 -4.738 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.398 -2.302 -5.227 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.450 -2.257 -3.101 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.084 -3.014 -2.305 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.918 -4.502 -2.428 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.657 -5.094 -3.399 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.004 -4.351 -4.117 1.00 15.47 H new ATOM 439 N ALA A 28 0.007 0.144 -7.342 1.00 6.61 N ATOM 440 CA ALA A 28 -0.519 0.755 -8.524 1.00 7.74 C ATOM 441 C ALA A 28 -1.265 2.043 -8.460 1.00 9.17 C ATOM 442 O ALA A 28 -0.830 2.951 -9.167 1.00 11.45 O ATOM 443 CB ALA A 28 -1.352 -0.199 -9.397 1.00 7.68 C ATOM 0 H ALA A 28 -0.305 -0.821 -7.234 1.00 6.61 H new ATOM 0 HA ALA A 28 0.447 1.017 -8.956 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.717 0.335 -10.274 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -0.731 -1.037 -9.715 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -2.199 -0.573 -8.822 1.00 7.68 H new ATOM 449 N LYS A 29 -2.312 2.212 -7.634 1.00 8.96 N ATOM 450 CA LYS A 29 -2.904 3.464 -7.277 1.00 7.90 C ATOM 451 C LYS A 29 -1.985 4.465 -6.666 1.00 6.92 C ATOM 452 O LYS A 29 -2.047 5.643 -7.015 1.00 6.87 O ATOM 453 CB LYS A 29 -3.947 3.032 -6.233 1.00 10.28 C ATOM 454 CG LYS A 29 -5.119 2.221 -6.790 1.00 14.94 C ATOM 455 CD LYS A 29 -5.900 1.332 -5.820 1.00 19.69 C ATOM 456 CE LYS A 29 -6.998 0.471 -6.448 1.00 22.63 C ATOM 457 NZ LYS A 29 -8.123 1.314 -6.909 1.00 24.98 N ATOM 0 H LYS A 29 -2.775 1.421 -7.186 1.00 8.96 H new ATOM 0 HA LYS A 29 -3.276 3.976 -8.164 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -3.448 2.441 -5.465 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -4.341 3.923 -5.744 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -5.822 2.919 -7.244 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -4.737 1.587 -7.590 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -5.195 0.675 -5.310 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -6.352 1.967 -5.058 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.590 -0.092 -7.288 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -7.357 -0.257 -5.721 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -8.931 0.709 -7.159 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -8.402 1.967 -6.149 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -7.828 1.860 -7.744 1.00 24.98 H new ATOM 471 N ILE A 30 -1.070 4.070 -5.764 1.00 4.57 N ATOM 472 CA ILE A 30 -0.149 4.988 -5.167 1.00 5.58 C ATOM 473 C ILE A 30 0.770 5.552 -6.196 1.00 7.26 C ATOM 474 O ILE A 30 1.189 6.708 -6.215 1.00 9.46 O ATOM 475 CB ILE A 30 0.521 4.343 -3.991 1.00 5.36 C ATOM 476 CG1 ILE A 30 -0.531 4.254 -2.873 1.00 2.94 C ATOM 477 CG2 ILE A 30 1.699 5.217 -3.529 1.00 2.78 C ATOM 478 CD1 ILE A 30 0.033 3.408 -1.732 1.00 2.00 C ATOM 0 H ILE A 30 -0.967 3.107 -5.445 1.00 4.57 H new ATOM 0 HA ILE A 30 -0.673 5.854 -4.763 1.00 5.58 H new ATOM 0 HB ILE A 30 0.904 3.355 -4.246 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -0.785 5.251 -2.514 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.450 3.809 -3.254 1.00 2.94 H new ATOM 0 HG21 ILE A 30 2.186 4.748 -2.674 1.00 2.78 H new ATOM 0 HG22 ILE A 30 2.416 5.321 -4.343 1.00 2.78 H new ATOM 0 HG23 ILE A 30 1.331 6.202 -3.242 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.704 3.337 -0.932 1.00 2.00 H new ATOM 0 HD12 ILE A 30 0.265 2.409 -2.100 1.00 2.00 H new ATOM 0 HD13 ILE A 30 0.941 3.873 -1.348 1.00 2.00 H new ATOM 490 N GLN A 31 1.133 4.676 -7.149 1.00 7.06 N ATOM 491 CA GLN A 31 1.855 5.092 -8.311 1.00 8.67 C ATOM 492 C GLN A 31 1.192 6.203 -9.050 1.00 10.90 C ATOM 493 O GLN A 31 1.772 7.223 -9.418 1.00 9.63 O ATOM 494 CB GLN A 31 2.127 3.971 -9.327 1.00 9.12 C ATOM 495 CG GLN A 31 3.341 4.273 -10.209 1.00 10.76 C ATOM 496 CD GLN A 31 3.525 3.538 -11.528 1.00 13.78 C ATOM 497 OE1 GLN A 31 4.382 2.674 -11.709 1.00 14.48 O ATOM 498 NE2 GLN A 31 2.774 3.877 -12.610 1.00 14.76 N ATOM 0 H GLN A 31 0.926 3.678 -7.115 1.00 7.06 H new ATOM 0 HA GLN A 31 2.802 5.428 -7.889 1.00 8.67 H new ATOM 0 HB2 GLN A 31 2.290 3.033 -8.796 1.00 9.12 H new ATOM 0 HB3 GLN A 31 1.248 3.832 -9.957 1.00 9.12 H new ATOM 0 HG2 GLN A 31 3.322 5.340 -10.432 1.00 10.76 H new ATOM 0 HG3 GLN A 31 4.232 4.089 -9.608 1.00 10.76 H new ATOM 0 HE21 GLN A 31 2.047 4.587 -12.524 1.00 14.76 H new ATOM 0 HE22 GLN A 31 2.938 3.421 -13.508 1.00 14.76 H new ATOM 507 N ASP A 32 -0.083 6.013 -9.435 1.00 10.93 N ATOM 508 CA ASP A 32 -0.930 6.926 -10.138 1.00 14.01 C ATOM 509 C ASP A 32 -1.155 8.248 -9.489 1.00 14.04 C ATOM 510 O ASP A 32 -0.890 9.241 -10.164 1.00 13.39 O ATOM 511 CB ASP A 32 -2.181 6.158 -10.596 1.00 18.01 C ATOM 512 CG ASP A 32 -3.074 6.944 -11.546 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.727 7.218 -12.726 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.244 7.188 -11.146 1.00 25.17 O ATOM 0 H ASP A 32 -0.564 5.136 -9.234 1.00 10.93 H new ATOM 0 HA ASP A 32 -0.405 7.279 -11.026 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -1.870 5.235 -11.085 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.762 5.873 -9.719 1.00 18.01 H new ATOM 519 N LYS A 33 -1.647 8.286 -8.238 1.00 14.22 N ATOM 520 CA LYS A 33 -1.986 9.478 -7.524 1.00 14.00 C ATOM 521 C LYS A 33 -0.809 10.301 -7.129 1.00 12.37 C ATOM 522 O LYS A 33 -0.542 11.426 -7.550 1.00 12.17 O ATOM 523 CB LYS A 33 -2.850 9.224 -6.278 1.00 18.62 C ATOM 524 CG LYS A 33 -4.175 8.489 -6.493 1.00 24.00 C ATOM 525 CD LYS A 33 -5.048 9.200 -7.529 1.00 27.61 C ATOM 526 CE LYS A 33 -6.488 8.751 -7.783 1.00 27.64 C ATOM 527 NZ LYS A 33 -7.240 9.658 -8.679 1.00 30.06 N ATOM 0 H LYS A 33 -1.817 7.439 -7.696 1.00 14.22 H new ATOM 0 HA LYS A 33 -2.572 10.040 -8.251 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.257 8.652 -5.564 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.067 10.186 -5.814 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.977 7.468 -6.821 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.713 8.421 -5.547 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -5.086 10.252 -7.247 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -4.523 9.144 -8.482 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -6.477 7.751 -8.217 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -7.011 8.679 -6.830 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -8.206 9.296 -8.809 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -7.280 10.608 -8.257 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -6.763 9.709 -9.602 1.00 30.06 H new ATOM 541 N GLU A 34 0.064 9.790 -6.242 1.00 10.11 N ATOM 542 CA GLU A 34 1.284 10.345 -5.743 1.00 10.07 C ATOM 543 C GLU A 34 2.536 10.118 -6.518 1.00 9.32 C ATOM 544 O GLU A 34 3.279 11.094 -6.607 1.00 11.61 O ATOM 545 CB GLU A 34 1.478 9.778 -4.326 1.00 14.77 C ATOM 546 CG GLU A 34 0.454 10.096 -3.235 1.00 18.75 C ATOM 547 CD GLU A 34 0.396 11.610 -3.093 1.00 22.28 C ATOM 548 OE1 GLU A 34 1.444 12.157 -2.659 1.00 25.19 O ATOM 549 OE2 GLU A 34 -0.615 12.329 -3.315 1.00 21.95 O ATOM 0 H GLU A 34 -0.111 8.875 -5.826 1.00 10.11 H new ATOM 0 HA GLU A 34 1.149 11.425 -5.805 1.00 10.07 H new ATOM 0 HB2 GLU A 34 1.533 8.693 -4.414 1.00 14.77 H new ATOM 0 HB3 GLU A 34 2.450 10.119 -3.969 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -0.525 9.698 -3.500 1.00 18.75 H new ATOM 0 HG3 GLU A 34 0.742 9.633 -2.291 1.00 18.75 H new ATOM 556 N GLY A 35 2.828 8.888 -6.978 1.00 7.22 N ATOM 557 CA GLY A 35 3.884 8.712 -7.926 1.00 6.29 C ATOM 558 C GLY A 35 5.074 8.185 -7.201 1.00 6.93 C ATOM 559 O GLY A 35 6.192 8.506 -7.601 1.00 7.41 O ATOM 0 H GLY A 35 2.345 8.033 -6.701 1.00 7.22 H new ATOM 0 HA2 GLY A 35 3.579 8.020 -8.711 1.00 6.29 H new ATOM 0 HA3 GLY A 35 4.122 9.659 -8.411 1.00 6.29 H new ATOM 563 N ILE A 36 4.856 7.443 -6.100 1.00 5.86 N ATOM 564 CA ILE A 36 5.890 6.708 -5.440 1.00 6.07 C ATOM 565 C ILE A 36 6.065 5.403 -6.136 1.00 6.36 C ATOM 566 O ILE A 36 5.090 4.653 -6.129 1.00 6.18 O ATOM 567 CB ILE A 36 5.416 6.490 -4.033 1.00 7.47 C ATOM 568 CG1 ILE A 36 5.225 7.814 -3.275 1.00 8.52 C ATOM 569 CG2 ILE A 36 6.521 5.650 -3.372 1.00 7.36 C ATOM 570 CD1 ILE A 36 4.708 7.568 -1.858 1.00 9.49 C ATOM 0 H ILE A 36 3.941 7.352 -5.659 1.00 5.86 H new ATOM 0 HA ILE A 36 6.845 7.234 -5.449 1.00 6.07 H new ATOM 0 HB ILE A 36 4.443 5.998 -4.017 1.00 7.47 H new ATOM 0 HG12 ILE A 36 6.172 8.351 -3.231 1.00 8.52 H new ATOM 0 HG13 ILE A 36 4.523 8.448 -3.816 1.00 8.52 H new ATOM 0 HG21 ILE A 36 6.252 5.445 -2.336 1.00 7.36 H new ATOM 0 HG22 ILE A 36 6.634 4.709 -3.910 1.00 7.36 H new ATOM 0 HG23 ILE A 36 7.462 6.199 -3.400 1.00 7.36 H new ATOM 0 HD11 ILE A 36 4.582 8.522 -1.346 1.00 9.49 H new ATOM 0 HD12 ILE A 36 3.749 7.052 -1.905 1.00 9.49 H new ATOM 0 HD13 ILE A 36 5.424 6.954 -1.311 1.00 9.49 H new ATOM 582 N PRO A 37 7.123 4.941 -6.735 1.00 8.65 N ATOM 583 CA PRO A 37 7.044 3.800 -7.599 1.00 9.18 C ATOM 584 C PRO A 37 6.866 2.502 -6.890 1.00 9.85 C ATOM 585 O PRO A 37 7.172 2.454 -5.700 1.00 8.51 O ATOM 586 CB PRO A 37 8.405 3.727 -8.289 1.00 11.42 C ATOM 587 CG PRO A 37 8.777 5.218 -8.270 1.00 9.27 C ATOM 588 CD PRO A 37 8.379 5.665 -6.854 1.00 8.33 C ATOM 0 HA PRO A 37 6.182 3.928 -8.253 1.00 9.18 H new ATOM 0 HB2 PRO A 37 9.119 3.110 -7.744 1.00 11.42 H new ATOM 0 HB3 PRO A 37 8.342 3.324 -9.300 1.00 11.42 H new ATOM 0 HG2 PRO A 37 9.840 5.369 -8.455 1.00 9.27 H new ATOM 0 HG3 PRO A 37 8.237 5.777 -9.035 1.00 9.27 H new ATOM 0 HD2 PRO A 37 9.108 5.371 -6.099 1.00 8.33 H new ATOM 0 HD3 PRO A 37 8.253 6.745 -6.773 1.00 8.33 H new ATOM 596 N PRO A 38 6.355 1.456 -7.469 1.00 8.71 N ATOM 597 CA PRO A 38 5.965 0.278 -6.751 1.00 9.08 C ATOM 598 C PRO A 38 7.052 -0.482 -6.073 1.00 9.28 C ATOM 599 O PRO A 38 6.815 -1.166 -5.079 1.00 6.50 O ATOM 600 CB PRO A 38 5.317 -0.625 -7.798 1.00 10.31 C ATOM 601 CG PRO A 38 4.572 0.365 -8.708 1.00 10.81 C ATOM 602 CD PRO A 38 5.563 1.539 -8.687 1.00 12.00 C ATOM 0 HA PRO A 38 5.318 0.592 -5.932 1.00 9.08 H new ATOM 0 HB2 PRO A 38 6.061 -1.198 -8.351 1.00 10.31 H new ATOM 0 HB3 PRO A 38 4.636 -1.344 -7.343 1.00 10.31 H new ATOM 0 HG2 PRO A 38 4.413 -0.029 -9.712 1.00 10.81 H new ATOM 0 HG3 PRO A 38 3.593 0.638 -8.314 1.00 10.81 H new ATOM 0 HD2 PRO A 38 6.211 1.503 -9.563 1.00 12.00 H new ATOM 0 HD3 PRO A 38 5.027 2.487 -8.726 1.00 12.00 H new ATOM 610 N ASP A 39 8.310 -0.352 -6.533 1.00 11.20 N ATOM 611 CA ASP A 39 9.467 -0.967 -5.961 1.00 14.96 C ATOM 612 C ASP A 39 10.042 -0.302 -4.758 1.00 13.99 C ATOM 613 O ASP A 39 10.710 -0.914 -3.926 1.00 13.75 O ATOM 614 CB ASP A 39 10.595 -1.068 -7.002 1.00 24.16 C ATOM 615 CG ASP A 39 10.260 -2.252 -7.896 1.00 31.06 C ATOM 616 OD1 ASP A 39 10.588 -3.439 -7.632 1.00 35.55 O ATOM 617 OD2 ASP A 39 9.710 -1.960 -8.992 1.00 34.22 O ATOM 0 H ASP A 39 8.531 0.215 -7.351 1.00 11.20 H new ATOM 0 HA ASP A 39 9.095 -1.939 -5.638 1.00 14.96 H new ATOM 0 HB2 ASP A 39 10.666 -0.150 -7.586 1.00 24.16 H new ATOM 0 HB3 ASP A 39 11.559 -1.212 -6.515 1.00 24.16 H new ATOM 622 N GLN A 40 9.829 1.025 -4.712 1.00 11.60 N ATOM 623 CA GLN A 40 10.125 1.806 -3.551 1.00 10.76 C ATOM 624 C GLN A 40 9.187 1.718 -2.397 1.00 8.01 C ATOM 625 O GLN A 40 9.509 2.076 -1.265 1.00 8.96 O ATOM 626 CB GLN A 40 10.174 3.282 -3.982 1.00 11.14 C ATOM 627 CG GLN A 40 10.885 4.181 -2.969 1.00 14.85 C ATOM 628 CD GLN A 40 12.180 4.776 -3.504 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.263 4.214 -3.348 1.00 20.52 O ATOM 630 NE2 GLN A 40 12.154 5.900 -4.269 1.00 18.16 N ATOM 0 H GLN A 40 9.447 1.563 -5.490 1.00 11.60 H new ATOM 0 HA GLN A 40 11.063 1.393 -3.181 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.682 3.357 -4.944 1.00 11.14 H new ATOM 0 HB3 GLN A 40 9.157 3.645 -4.129 1.00 11.14 H new ATOM 0 HG2 GLN A 40 10.215 4.989 -2.676 1.00 14.85 H new ATOM 0 HG3 GLN A 40 11.101 3.604 -2.070 1.00 14.85 H new ATOM 0 HE21 GLN A 40 11.274 6.393 -4.421 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.014 6.250 -4.691 1.00 18.16 H new ATOM 639 N GLN A 41 7.950 1.230 -2.601 1.00 6.52 N ATOM 640 CA GLN A 41 6.951 1.043 -1.596 1.00 3.87 C ATOM 641 C GLN A 41 7.072 -0.178 -0.749 1.00 4.79 C ATOM 642 O GLN A 41 7.242 -1.277 -1.274 1.00 6.34 O ATOM 643 CB GLN A 41 5.606 1.017 -2.340 1.00 4.20 C ATOM 644 CG GLN A 41 5.035 2.318 -2.909 1.00 3.20 C ATOM 645 CD GLN A 41 3.720 2.204 -3.666 1.00 4.89 C ATOM 646 OE1 GLN A 41 2.793 1.733 -3.010 1.00 5.21 O ATOM 647 NE2 GLN A 41 3.671 2.481 -4.997 1.00 7.13 N ATOM 0 H GLN A 41 7.629 0.949 -3.527 1.00 6.52 H new ATOM 0 HA GLN A 41 7.061 1.858 -0.880 1.00 3.87 H new ATOM 0 HB2 GLN A 41 5.704 0.314 -3.167 1.00 4.20 H new ATOM 0 HB3 GLN A 41 4.863 0.605 -1.657 1.00 4.20 H new ATOM 0 HG2 GLN A 41 4.896 3.019 -2.086 1.00 3.20 H new ATOM 0 HG3 GLN A 41 5.778 2.754 -3.577 1.00 3.20 H new ATOM 0 HE21 GLN A 41 4.487 2.872 -5.467 1.00 7.13 H new ATOM 0 HE22 GLN A 41 2.818 2.298 -5.525 1.00 7.13 H new ATOM 656 N ARG A 42 6.840 -0.087 0.573 1.00 5.73 N ATOM 657 CA ARG A 42 6.613 -1.155 1.495 1.00 6.97 C ATOM 658 C ARG A 42 5.504 -0.713 2.387 1.00 7.15 C ATOM 659 O ARG A 42 5.523 0.275 3.119 1.00 7.33 O ATOM 660 CB ARG A 42 7.820 -1.517 2.377 1.00 13.23 C ATOM 661 CG ARG A 42 7.584 -2.515 3.512 1.00 21.27 C ATOM 662 CD ARG A 42 8.870 -2.775 4.299 1.00 26.14 C ATOM 663 NE ARG A 42 9.786 -3.578 3.441 1.00 32.26 N ATOM 664 CZ ARG A 42 11.136 -3.377 3.475 1.00 34.32 C ATOM 665 NH1 ARG A 42 11.764 -2.313 4.054 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.943 -4.102 2.646 1.00 36.39 N ATOM 0 H ARG A 42 6.809 0.821 1.037 1.00 5.73 H new ATOM 0 HA ARG A 42 6.392 -2.049 0.912 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.601 -1.918 1.732 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.208 -0.596 2.812 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.816 -2.131 4.183 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.210 -3.453 3.102 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.341 -1.833 4.580 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.649 -3.309 5.223 1.00 26.14 H new ATOM 0 HE ARG A 42 9.399 -4.288 2.819 1.00 32.26 H new ATOM 0 HH11 ARG A 42 11.216 -1.584 4.511 1.00 35.30 H new ATOM 0 HH12 ARG A 42 12.782 -2.247 4.030 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.536 -4.787 2.009 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.953 -3.959 2.664 1.00 36.39 H new ATOM 680 N LEU A 43 4.534 -1.642 2.466 1.00 4.65 N ATOM 681 CA LEU A 43 3.288 -1.453 3.141 1.00 3.51 C ATOM 682 C LEU A 43 3.173 -2.283 4.373 1.00 5.56 C ATOM 683 O LEU A 43 3.207 -3.511 4.305 1.00 4.19 O ATOM 684 CB LEU A 43 2.136 -1.691 2.150 1.00 3.74 C ATOM 685 CG LEU A 43 1.899 -0.527 1.172 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.539 -1.105 -0.208 1.00 6.41 C ATOM 687 CD2 LEU A 43 0.750 0.337 1.720 1.00 9.55 C ATOM 0 H LEU A 43 4.623 -2.565 2.041 1.00 4.65 H new ATOM 0 HA LEU A 43 3.233 -0.423 3.494 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.344 -2.595 1.578 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.219 -1.872 2.711 1.00 3.74 H new ATOM 0 HG LEU A 43 2.792 0.089 1.069 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.368 -0.289 -0.911 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.359 -1.728 -0.567 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.635 -1.708 -0.125 1.00 6.41 H new ATOM 0 HD21 LEU A 43 0.565 1.169 1.041 1.00 9.55 H new ATOM 0 HD22 LEU A 43 -0.152 -0.269 1.806 1.00 9.55 H new ATOM 0 HD23 LEU A 43 1.022 0.724 2.702 1.00 9.55 H new ATOM 699 N ILE A 44 3.051 -1.645 5.550 1.00 4.58 N ATOM 700 CA ILE A 44 2.949 -2.242 6.846 1.00 5.55 C ATOM 701 C ILE A 44 1.652 -1.859 7.470 1.00 5.46 C ATOM 702 O ILE A 44 1.286 -0.687 7.405 1.00 6.04 O ATOM 703 CB ILE A 44 4.082 -1.960 7.788 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.460 -2.424 7.288 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.880 -2.706 9.117 1.00 7.39 C ATOM 706 CD1 ILE A 44 6.661 -1.817 8.013 1.00 13.90 C ATOM 0 H ILE A 44 3.021 -0.627 5.598 1.00 4.58 H new ATOM 0 HA ILE A 44 3.004 -3.316 6.670 1.00 5.55 H new ATOM 0 HB ILE A 44 4.071 -0.875 7.887 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.514 -3.509 7.378 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.541 -2.188 6.227 1.00 10.31 H new ATOM 0 HG21 ILE A 44 4.712 -2.488 9.786 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.948 -2.380 9.579 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.836 -3.779 8.929 1.00 7.39 H new ATOM 0 HD11 ILE A 44 7.582 -2.210 7.583 1.00 13.90 H new ATOM 0 HD12 ILE A 44 6.643 -0.733 7.902 1.00 13.90 H new ATOM 0 HD13 ILE A 44 6.615 -2.074 9.071 1.00 13.90 H new ATOM 718 N PHE A 45 0.850 -2.785 8.026 1.00 6.75 N ATOM 719 CA PHE A 45 -0.392 -2.475 8.664 1.00 4.70 C ATOM 720 C PHE A 45 -0.255 -3.013 10.047 1.00 6.34 C ATOM 721 O PHE A 45 -0.132 -4.225 10.214 1.00 5.45 O ATOM 722 CB PHE A 45 -1.565 -3.123 7.908 1.00 5.51 C ATOM 723 CG PHE A 45 -2.880 -2.927 8.579 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.300 -1.767 9.186 1.00 5.87 C ATOM 725 CD2 PHE A 45 -3.759 -3.983 8.525 1.00 6.86 C ATOM 726 CE1 PHE A 45 -4.510 -1.721 9.837 1.00 6.64 C ATOM 727 CE2 PHE A 45 -5.019 -3.928 9.072 1.00 6.68 C ATOM 728 CZ PHE A 45 -5.400 -2.758 9.686 1.00 6.84 C ATOM 0 H PHE A 45 1.073 -3.780 8.032 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.604 -1.406 8.674 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.613 -2.707 6.902 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.374 -4.191 7.803 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.676 -0.887 9.151 1.00 5.87 H new ATOM 0 HD2 PHE A 45 -3.447 -4.892 8.033 1.00 6.86 H new ATOM 0 HE1 PHE A 45 -4.760 -0.877 10.462 1.00 6.64 H new ATOM 0 HE2 PHE A 45 -5.687 -4.775 9.021 1.00 6.68 H new ATOM 0 HZ PHE A 45 -6.410 -2.653 10.054 1.00 6.84 H new ATOM 738 N ALA A 46 -0.104 -2.073 10.997 1.00 6.53 N ATOM 739 CA ALA A 46 0.088 -2.364 12.383 1.00 7.15 C ATOM 740 C ALA A 46 1.414 -2.966 12.697 1.00 9.00 C ATOM 741 O ALA A 46 2.363 -2.198 12.853 1.00 11.15 O ATOM 742 CB ALA A 46 -1.072 -3.079 13.097 1.00 8.99 C ATOM 0 H ALA A 46 -0.116 -1.074 10.792 1.00 6.53 H new ATOM 0 HA ALA A 46 0.085 -1.368 12.825 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -0.809 -3.245 14.142 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -1.969 -2.462 13.042 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.261 -4.037 12.614 1.00 8.99 H new ATOM 748 N GLY A 47 1.523 -4.305 12.641 1.00 9.35 N ATOM 749 CA GLY A 47 2.755 -5.007 12.828 1.00 11.68 C ATOM 750 C GLY A 47 3.264 -5.625 11.571 1.00 11.14 C ATOM 751 O GLY A 47 4.472 -5.837 11.470 1.00 13.93 O ATOM 0 H GLY A 47 0.729 -4.919 12.460 1.00 9.35 H new ATOM 0 HA2 GLY A 47 3.505 -4.319 13.218 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.615 -5.785 13.579 1.00 11.68 H new ATOM 755 N LYS A 48 2.316 -5.991 10.690 1.00 10.47 N ATOM 756 CA LYS A 48 2.587 -6.913 9.630 1.00 8.82 C ATOM 757 C LYS A 48 2.949 -6.289 8.326 1.00 7.68 C ATOM 758 O LYS A 48 2.272 -5.394 7.821 1.00 6.47 O ATOM 759 CB LYS A 48 1.360 -7.836 9.539 1.00 9.74 C ATOM 760 CG LYS A 48 1.343 -8.846 8.390 1.00 14.14 C ATOM 761 CD LYS A 48 2.508 -9.834 8.476 1.00 16.32 C ATOM 762 CE LYS A 48 2.206 -11.128 9.234 1.00 20.04 C ATOM 763 NZ LYS A 48 3.448 -11.886 9.508 1.00 23.92 N ATOM 0 H LYS A 48 1.356 -5.646 10.712 1.00 10.47 H new ATOM 0 HA LYS A 48 3.491 -7.475 9.865 1.00 8.82 H new ATOM 0 HB2 LYS A 48 1.278 -8.386 10.477 1.00 9.74 H new ATOM 0 HB3 LYS A 48 0.470 -7.212 9.456 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.401 -9.394 8.404 1.00 14.14 H new ATOM 0 HG3 LYS A 48 1.388 -8.314 7.440 1.00 14.14 H new ATOM 0 HD2 LYS A 48 2.824 -10.089 7.464 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.351 -9.337 8.957 1.00 16.32 H new ATOM 0 HE2 LYS A 48 1.704 -10.895 10.173 1.00 20.04 H new ATOM 0 HE3 LYS A 48 1.521 -11.744 8.651 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 3.215 -12.759 10.023 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.913 -12.127 8.609 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.089 -11.305 10.084 1.00 23.92 H new ATOM 777 N GLN A 49 4.074 -6.698 7.715 1.00 8.89 N ATOM 778 CA GLN A 49 4.275 -6.326 6.349 1.00 7.18 C ATOM 779 C GLN A 49 3.495 -7.108 5.349 1.00 8.23 C ATOM 780 O GLN A 49 3.385 -8.333 5.358 1.00 9.70 O ATOM 781 CB GLN A 49 5.768 -6.396 5.986 1.00 11.67 C ATOM 782 CG GLN A 49 6.078 -5.706 4.656 1.00 15.82 C ATOM 783 CD GLN A 49 7.305 -6.210 3.910 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.500 -6.099 2.700 1.00 23.23 O ATOM 785 NE2 GLN A 49 8.243 -6.826 4.678 1.00 20.67 N ATOM 0 H GLN A 49 4.812 -7.259 8.140 1.00 8.89 H new ATOM 0 HA GLN A 49 3.898 -5.305 6.290 1.00 7.18 H new ATOM 0 HB2 GLN A 49 6.354 -5.931 6.779 1.00 11.67 H new ATOM 0 HB3 GLN A 49 6.077 -7.440 5.931 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.212 -5.814 4.004 1.00 15.82 H new ATOM 0 HG3 GLN A 49 6.205 -4.640 4.844 1.00 15.82 H new ATOM 0 HE21 GLN A 49 8.095 -6.925 5.682 1.00 20.67 H new ATOM 0 HE22 GLN A 49 9.095 -7.189 4.250 1.00 20.67 H new ATOM 794 N LEU A 50 2.843 -6.417 4.397 1.00 6.51 N ATOM 795 CA LEU A 50 1.804 -6.984 3.595 1.00 7.41 C ATOM 796 C LEU A 50 2.306 -7.590 2.330 1.00 8.27 C ATOM 797 O LEU A 50 3.032 -7.001 1.532 1.00 8.34 O ATOM 798 CB LEU A 50 0.586 -6.064 3.409 1.00 7.13 C ATOM 799 CG LEU A 50 0.099 -5.169 4.561 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.042 -4.216 4.165 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.403 -5.916 5.809 1.00 8.14 C ATOM 0 H LEU A 50 3.043 -5.441 4.180 1.00 6.51 H new ATOM 0 HA LEU A 50 1.418 -7.821 4.177 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.803 -5.411 2.564 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.252 -6.696 3.116 1.00 7.13 H new ATOM 0 HG LEU A 50 1.013 -4.624 4.799 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.332 -3.617 5.028 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.705 -3.558 3.364 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.898 -4.797 3.822 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -0.723 -5.194 6.561 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.244 -6.554 5.537 1.00 8.14 H new ATOM 0 HD23 LEU A 50 0.402 -6.529 6.214 1.00 8.14 H new ATOM 813 N GLU A 51 1.832 -8.815 2.038 1.00 9.43 N ATOM 814 CA GLU A 51 2.295 -9.542 0.896 1.00 11.90 C ATOM 815 C GLU A 51 1.525 -9.270 -0.351 1.00 11.49 C ATOM 816 O GLU A 51 0.300 -9.367 -0.397 1.00 9.88 O ATOM 817 CB GLU A 51 2.373 -11.060 1.131 1.00 16.56 C ATOM 818 CG GLU A 51 3.143 -11.867 0.085 1.00 26.06 C ATOM 819 CD GLU A 51 2.562 -13.208 -0.342 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.530 -14.151 0.493 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.205 -13.296 -1.547 1.00 33.44 O ATOM 0 H GLU A 51 1.128 -9.302 2.593 1.00 9.43 H new ATOM 0 HA GLU A 51 3.306 -9.162 0.749 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.833 -11.233 2.104 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.357 -11.451 1.185 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.248 -11.248 -0.806 1.00 26.06 H new ATOM 0 HG3 GLU A 51 4.147 -12.044 0.470 1.00 26.06 H new ATOM 828 N ASP A 52 2.228 -8.801 -1.397 1.00 12.71 N ATOM 829 CA ASP A 52 1.814 -8.422 -2.712 1.00 16.56 C ATOM 830 C ASP A 52 0.623 -9.137 -3.252 1.00 15.83 C ATOM 831 O ASP A 52 -0.403 -8.578 -3.637 1.00 17.21 O ATOM 832 CB ASP A 52 2.998 -8.704 -3.653 1.00 21.05 C ATOM 833 CG ASP A 52 4.088 -7.661 -3.455 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.787 -6.455 -3.661 1.00 28.37 O ATOM 835 OD2 ASP A 52 5.244 -8.031 -3.113 1.00 25.82 O ATOM 0 H ASP A 52 3.235 -8.671 -1.299 1.00 12.71 H new ATOM 0 HA ASP A 52 1.520 -7.374 -2.651 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.397 -9.699 -3.458 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.659 -8.694 -4.689 1.00 21.05 H new ATOM 840 N GLY A 53 0.708 -10.477 -3.323 1.00 15.00 N ATOM 841 CA GLY A 53 -0.207 -11.340 -4.004 1.00 11.77 C ATOM 842 C GLY A 53 -1.280 -11.950 -3.170 1.00 11.10 C ATOM 843 O GLY A 53 -1.832 -13.008 -3.470 1.00 11.25 O ATOM 0 H GLY A 53 1.466 -10.991 -2.875 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.678 -10.774 -4.808 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.363 -12.144 -4.471 1.00 11.77 H new ATOM 847 N ARG A 54 -1.650 -11.304 -2.050 1.00 8.53 N ATOM 848 CA ARG A 54 -2.739 -11.502 -1.145 1.00 9.05 C ATOM 849 C ARG A 54 -3.778 -10.437 -1.234 1.00 8.96 C ATOM 850 O ARG A 54 -3.558 -9.354 -1.774 1.00 11.60 O ATOM 851 CB ARG A 54 -2.182 -11.781 0.261 1.00 7.97 C ATOM 852 CG ARG A 54 -1.195 -12.950 0.241 1.00 9.62 C ATOM 853 CD ARG A 54 -1.125 -13.636 1.607 1.00 12.20 C ATOM 854 NE ARG A 54 0.027 -14.578 1.533 1.00 18.23 N ATOM 855 CZ ARG A 54 -0.008 -15.933 1.691 1.00 22.08 C ATOM 856 NH1 ARG A 54 -1.151 -16.661 1.856 1.00 23.38 N ATOM 857 NH2 ARG A 54 1.194 -16.567 1.821 1.00 25.50 N ATOM 0 H ARG A 54 -1.087 -10.514 -1.735 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.302 -12.388 -1.437 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.686 -10.889 0.643 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.002 -12.005 0.943 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.498 -13.672 -0.517 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -0.205 -12.589 -0.039 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -0.982 -12.906 2.404 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.051 -14.168 1.825 1.00 12.20 H new ATOM 0 HE ARG A 54 0.940 -14.166 1.344 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -2.057 -16.192 1.867 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -1.099 -17.673 1.968 1.00 23.38 H new ATOM 0 HH21 ARG A 54 2.060 -16.028 1.797 1.00 25.50 H new ATOM 0 HH22 ARG A 54 1.226 -17.579 1.942 1.00 25.50 H new ATOM 871 N THR A 55 -5.010 -10.799 -0.833 1.00 9.05 N ATOM 872 CA THR A 55 -6.055 -9.823 -0.837 1.00 9.03 C ATOM 873 C THR A 55 -6.067 -8.907 0.338 1.00 8.15 C ATOM 874 O THR A 55 -5.581 -9.091 1.453 1.00 5.91 O ATOM 875 CB THR A 55 -7.420 -10.257 -1.282 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.967 -11.079 -0.261 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.359 -11.169 -2.519 1.00 11.71 C ATOM 0 H THR A 55 -5.277 -11.731 -0.517 1.00 9.05 H new ATOM 0 HA THR A 55 -5.735 -9.213 -1.682 1.00 9.03 H new ATOM 0 HB THR A 55 -7.996 -9.357 -1.498 1.00 11.15 H new ATOM 0 HG1 THR A 55 -7.457 -11.914 -0.205 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.369 -11.460 -2.807 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.887 -10.634 -3.343 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.778 -12.061 -2.285 1.00 11.71 H new ATOM 885 N LEU A 56 -6.708 -7.731 0.213 1.00 6.91 N ATOM 886 CA LEU A 56 -7.022 -6.919 1.347 1.00 8.29 C ATOM 887 C LEU A 56 -8.057 -7.453 2.277 1.00 8.05 C ATOM 888 O LEU A 56 -8.121 -7.045 3.436 1.00 10.17 O ATOM 889 CB LEU A 56 -7.626 -5.596 0.846 1.00 6.60 C ATOM 890 CG LEU A 56 -6.628 -4.500 0.435 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.100 -4.584 -1.007 1.00 8.64 C ATOM 892 CD2 LEU A 56 -7.284 -3.115 0.561 1.00 9.85 C ATOM 0 H LEU A 56 -7.010 -7.341 -0.680 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.077 -6.847 1.886 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.265 -5.815 -0.010 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.269 -5.196 1.630 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.787 -4.653 1.111 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.405 -3.764 -1.188 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -5.586 -5.534 -1.151 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -6.934 -4.513 -1.705 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.569 -2.346 0.268 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -8.157 -3.066 -0.089 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -7.591 -2.950 1.594 1.00 9.85 H new ATOM 904 N SER A 57 -8.702 -8.554 1.850 1.00 8.92 N ATOM 905 CA SER A 57 -9.695 -9.276 2.582 1.00 9.00 C ATOM 906 C SER A 57 -8.890 -10.149 3.482 1.00 9.44 C ATOM 907 O SER A 57 -9.344 -10.200 4.624 1.00 10.91 O ATOM 908 CB SER A 57 -10.592 -10.224 1.767 1.00 10.32 C ATOM 909 OG SER A 57 -11.889 -10.348 2.331 1.00 13.59 O ATOM 0 H SER A 57 -8.517 -8.965 0.935 1.00 8.92 H new ATOM 0 HA SER A 57 -10.372 -8.553 3.036 1.00 9.00 H new ATOM 0 HB2 SER A 57 -10.675 -9.854 0.745 1.00 10.32 H new ATOM 0 HB3 SER A 57 -10.125 -11.207 1.713 1.00 10.32 H new ATOM 0 HG SER A 57 -12.427 -10.957 1.783 1.00 13.59 H new ATOM 915 N ASP A 58 -7.793 -10.815 3.077 1.00 9.11 N ATOM 916 CA ASP A 58 -7.003 -11.657 3.921 1.00 7.91 C ATOM 917 C ASP A 58 -6.361 -10.954 5.067 1.00 9.12 C ATOM 918 O ASP A 58 -6.216 -11.590 6.109 1.00 8.61 O ATOM 919 CB ASP A 58 -5.931 -12.353 3.066 1.00 8.41 C ATOM 920 CG ASP A 58 -6.558 -13.087 1.889 1.00 11.50 C ATOM 921 OD1 ASP A 58 -7.394 -14.002 2.114 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.324 -12.752 0.697 1.00 10.05 O ATOM 0 H ASP A 58 -7.442 -10.764 2.121 1.00 9.11 H new ATOM 0 HA ASP A 58 -7.686 -12.379 4.368 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -5.218 -11.614 2.700 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.372 -13.058 3.682 1.00 8.41 H new ATOM 927 N TYR A 59 -6.060 -9.650 4.923 1.00 7.97 N ATOM 928 CA TYR A 59 -5.534 -8.764 5.914 1.00 8.45 C ATOM 929 C TYR A 59 -6.608 -8.002 6.611 1.00 10.98 C ATOM 930 O TYR A 59 -6.253 -7.310 7.563 1.00 12.95 O ATOM 931 CB TYR A 59 -4.500 -7.758 5.381 1.00 7.94 C ATOM 932 CG TYR A 59 -3.245 -8.392 4.888 1.00 6.91 C ATOM 933 CD1 TYR A 59 -2.456 -9.019 5.823 1.00 6.98 C ATOM 934 CD2 TYR A 59 -2.905 -8.386 3.556 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.311 -9.652 5.401 1.00 6.52 C ATOM 936 CE2 TYR A 59 -1.757 -9.014 3.130 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.001 -9.685 4.062 1.00 6.76 C ATOM 938 OH TYR A 59 0.149 -10.407 3.677 1.00 7.63 O ATOM 0 H TYR A 59 -6.199 -9.176 4.031 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.026 -9.430 6.612 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -4.949 -7.184 4.570 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.252 -7.051 6.173 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -2.730 -9.014 6.868 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.542 -7.886 2.841 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -0.656 -10.122 6.120 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.458 -8.981 2.093 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.078 -11.017 2.944 1.00 7.63 H new ATOM 948 N ASN A 60 -7.910 -8.065 6.279 1.00 12.38 N ATOM 949 CA ASN A 60 -9.055 -7.563 6.972 1.00 13.94 C ATOM 950 C ASN A 60 -8.989 -6.077 7.056 1.00 14.16 C ATOM 951 O ASN A 60 -9.153 -5.509 8.134 1.00 14.26 O ATOM 952 CB ASN A 60 -9.264 -8.137 8.384 1.00 19.23 C ATOM 953 CG ASN A 60 -9.322 -9.657 8.414 1.00 22.65 C ATOM 954 OD1 ASN A 60 -8.469 -10.323 9.000 1.00 25.45 O ATOM 955 ND2 ASN A 60 -10.250 -10.206 7.585 1.00 24.09 N ATOM 0 H ASN A 60 -8.190 -8.528 5.414 1.00 12.38 H new ATOM 0 HA ASN A 60 -9.910 -7.892 6.382 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -8.454 -7.799 9.030 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.190 -7.737 8.798 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -10.259 -11.213 7.426 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -10.937 -9.610 7.122 1.00 24.09 H new ATOM 962 N ILE A 61 -8.634 -5.366 5.971 1.00 11.08 N ATOM 963 CA ILE A 61 -8.528 -3.941 6.039 1.00 11.78 C ATOM 964 C ILE A 61 -9.864 -3.291 5.937 1.00 13.74 C ATOM 965 O ILE A 61 -10.617 -3.524 4.993 1.00 14.60 O ATOM 966 CB ILE A 61 -7.624 -3.459 4.944 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.191 -3.880 5.313 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.632 -1.922 4.869 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.143 -3.734 4.211 1.00 11.42 C ATOM 0 H ILE A 61 -8.423 -5.770 5.059 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.107 -3.669 7.007 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.958 -3.875 3.994 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.870 -3.290 6.172 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.211 -4.922 5.632 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.970 -1.593 4.068 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.645 -1.573 4.669 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.287 -1.510 5.817 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.173 -4.060 4.586 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.427 -4.347 3.356 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.081 -2.690 3.904 1.00 11.42 H new ATOM 981 N GLN A 62 -10.333 -2.631 7.012 1.00 13.97 N ATOM 982 CA GLN A 62 -11.543 -1.872 6.958 1.00 15.52 C ATOM 983 C GLN A 62 -11.321 -0.641 6.148 1.00 13.94 C ATOM 984 O GLN A 62 -10.223 -0.252 5.754 1.00 12.15 O ATOM 985 CB GLN A 62 -12.239 -1.652 8.312 1.00 19.53 C ATOM 986 CG GLN A 62 -12.346 -2.949 9.118 1.00 26.38 C ATOM 987 CD GLN A 62 -13.258 -3.930 8.396 1.00 30.61 C ATOM 988 OE1 GLN A 62 -12.907 -4.958 7.819 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.583 -3.631 8.466 1.00 32.71 N ATOM 0 H GLN A 62 -9.871 -2.624 7.922 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.290 -2.475 6.443 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.685 -0.911 8.889 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.236 -1.245 8.145 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.357 -3.388 9.251 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.738 -2.738 10.113 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -14.890 -2.782 8.941 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.270 -4.256 8.043 1.00 32.71 H new ATOM 998 N LYS A 63 -12.386 0.172 6.025 1.00 11.73 N ATOM 999 CA LYS A 63 -12.328 1.519 5.548 1.00 11.97 C ATOM 1000 C LYS A 63 -11.855 2.423 6.634 1.00 10.41 C ATOM 1001 O LYS A 63 -12.199 2.454 7.814 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.725 1.941 5.063 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.805 2.059 6.141 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.217 2.309 5.608 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.297 2.185 6.685 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.696 2.480 6.301 1.00 25.97 N ATOM 0 H LYS A 63 -13.331 -0.124 6.270 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.626 1.587 4.717 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.637 2.903 4.559 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.062 1.220 4.318 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.811 1.143 6.731 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.537 2.871 6.817 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.262 3.306 5.170 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.428 1.600 4.808 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.265 1.168 7.075 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.028 2.850 7.506 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.316 2.356 7.127 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.763 3.461 5.962 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.993 1.831 5.544 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.086 3.414 6.146 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.569 4.511 6.903 1.00 10.94 C ATOM 1022 C GLU A 64 -9.499 4.041 7.828 1.00 9.74 C ATOM 1023 O GLU A 64 -9.254 4.570 8.911 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.661 5.458 7.428 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.706 5.997 6.448 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.639 7.042 7.041 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.771 7.215 8.282 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -14.400 7.668 6.256 1.00 32.61 O ATOM 0 H GLU A 64 -10.810 3.450 5.165 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.039 5.210 6.256 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.193 4.938 8.224 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.164 6.314 7.883 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.193 6.430 5.590 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.302 5.164 6.076 1.00 24.16 H new ATOM 1035 N SER A 65 -8.702 3.021 7.463 1.00 6.85 N ATOM 1036 CA SER A 65 -7.584 2.524 8.205 1.00 6.90 C ATOM 1037 C SER A 65 -6.357 3.127 7.613 1.00 4.72 C ATOM 1038 O SER A 65 -6.338 3.345 6.402 1.00 3.91 O ATOM 1039 CB SER A 65 -7.353 1.023 7.961 1.00 7.28 C ATOM 1040 OG SER A 65 -8.126 0.217 8.838 1.00 10.56 O ATOM 0 H SER A 65 -8.848 2.510 6.592 1.00 6.85 H new ATOM 0 HA SER A 65 -7.772 2.743 9.256 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.605 0.780 6.929 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.296 0.792 8.094 1.00 7.28 H new ATOM 0 HG SER A 65 -7.953 -0.729 8.651 1.00 10.56 H new ATOM 1046 N THR A 66 -5.284 3.472 8.346 1.00 4.48 N ATOM 1047 CA THR A 66 -4.004 3.999 7.985 1.00 3.80 C ATOM 1048 C THR A 66 -3.012 2.896 7.847 1.00 4.60 C ATOM 1049 O THR A 66 -2.558 2.358 8.856 1.00 5.33 O ATOM 1050 CB THR A 66 -3.454 4.999 8.958 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.365 6.084 9.052 1.00 2.15 O ATOM 1052 CG2 THR A 66 -2.103 5.591 8.523 1.00 3.40 C ATOM 0 H THR A 66 -5.330 3.360 9.359 1.00 4.48 H new ATOM 0 HA THR A 66 -4.165 4.516 7.039 1.00 3.80 H new ATOM 0 HB THR A 66 -3.312 4.473 9.902 1.00 2.85 H new ATOM 0 HG1 THR A 66 -4.020 6.747 9.686 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.762 6.307 9.271 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.370 4.791 8.425 1.00 3.40 H new ATOM 0 HG23 THR A 66 -2.219 6.096 7.564 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.530 2.732 6.602 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.441 1.871 6.261 1.00 3.85 C ATOM 1062 C LEU A 67 -0.193 2.657 6.475 1.00 3.80 C ATOM 1063 O LEU A 67 -0.093 3.790 6.008 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.536 1.385 4.805 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.736 0.482 4.472 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.776 -0.012 3.016 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.975 -0.698 5.429 1.00 8.12 C ATOM 0 H LEU A 67 -2.918 3.223 5.796 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.456 0.976 6.882 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.572 2.258 4.153 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.621 0.844 4.563 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.564 1.175 4.621 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.654 -0.641 2.869 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -2.826 0.844 2.343 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.876 -0.589 2.803 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.845 -1.265 5.098 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.099 -1.347 5.433 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.150 -0.320 6.436 1.00 8.12 H new ATOM 1079 N HIS A 68 0.827 2.158 7.196 1.00 2.94 N ATOM 1080 CA HIS A 68 2.120 2.769 7.227 1.00 4.17 C ATOM 1081 C HIS A 68 2.868 2.350 6.008 1.00 5.32 C ATOM 1082 O HIS A 68 3.348 1.229 5.848 1.00 7.70 O ATOM 1083 CB HIS A 68 3.042 2.327 8.376 1.00 5.57 C ATOM 1084 CG HIS A 68 2.461 2.625 9.726 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.947 2.123 10.916 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.314 3.278 10.055 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.015 2.467 11.844 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.025 3.221 11.403 1.00 16.30 N ATOM 0 H HIS A 68 0.753 1.316 7.767 1.00 2.94 H new ATOM 0 HA HIS A 68 1.909 3.834 7.326 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.232 1.257 8.294 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.004 2.830 8.279 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.693 3.789 9.334 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.080 2.145 12.873 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.255 3.646 11.919 1.00 16.30 H new ATOM 1096 N LEU A 69 3.007 3.279 5.046 1.00 5.29 N ATOM 1097 CA LEU A 69 3.855 3.241 3.895 1.00 3.97 C ATOM 1098 C LEU A 69 5.219 3.722 4.254 1.00 5.07 C ATOM 1099 O LEU A 69 5.470 4.906 4.475 1.00 4.34 O ATOM 1100 CB LEU A 69 3.252 4.121 2.786 1.00 6.08 C ATOM 1101 CG LEU A 69 3.990 4.005 1.441 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.041 2.601 0.816 1.00 9.96 C ATOM 1103 CD2 LEU A 69 3.414 5.026 0.445 1.00 6.87 C ATOM 0 H LEU A 69 2.469 4.145 5.080 1.00 5.29 H new ATOM 0 HA LEU A 69 3.932 2.216 3.533 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.207 3.846 2.643 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.266 5.161 3.111 1.00 6.08 H new ATOM 0 HG LEU A 69 5.033 4.226 1.669 1.00 7.37 H new ATOM 0 HD11 LEU A 69 4.585 2.642 -0.128 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.548 1.918 1.497 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.026 2.247 0.634 1.00 9.96 H new ATOM 0 HD21 LEU A 69 3.939 4.942 -0.507 1.00 6.87 H new ATOM 0 HD22 LEU A 69 2.353 4.828 0.293 1.00 6.87 H new ATOM 0 HD23 LEU A 69 3.542 6.033 0.842 1.00 6.87 H new ATOM 1115 N VAL A 70 6.184 2.786 4.293 1.00 4.29 N ATOM 1116 CA VAL A 70 7.573 2.986 4.569 1.00 6.26 C ATOM 1117 C VAL A 70 8.300 2.661 3.309 1.00 9.22 C ATOM 1118 O VAL A 70 7.675 2.174 2.369 1.00 9.36 O ATOM 1119 CB VAL A 70 7.977 2.294 5.837 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.206 2.713 7.100 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.773 0.792 5.579 1.00 8.54 C ATOM 0 H VAL A 70 5.972 1.804 4.116 1.00 4.29 H new ATOM 0 HA VAL A 70 7.842 4.014 4.811 1.00 6.26 H new ATOM 0 HB VAL A 70 9.008 2.571 6.056 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.578 2.151 7.957 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.348 3.779 7.276 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.145 2.506 6.964 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.051 0.229 6.470 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.726 0.602 5.342 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.397 0.479 4.742 1.00 8.54 H new ATOM 1131 N LEU A 71 9.593 3.033 3.334 1.00 12.71 N ATOM 1132 CA LEU A 71 10.513 3.105 2.242 1.00 16.06 C ATOM 1133 C LEU A 71 11.150 1.770 2.059 1.00 18.09 C ATOM 1134 O LEU A 71 11.721 1.204 2.990 1.00 19.26 O ATOM 1135 CB LEU A 71 11.539 4.180 2.640 1.00 17.10 C ATOM 1136 CG LEU A 71 12.731 4.425 1.700 1.00 19.37 C ATOM 1137 CD1 LEU A 71 12.417 5.103 0.356 1.00 19.57 C ATOM 1138 CD2 LEU A 71 13.642 5.460 2.382 1.00 17.51 C ATOM 0 H LEU A 71 10.036 3.311 4.210 1.00 12.71 H new ATOM 0 HA LEU A 71 10.039 3.365 1.296 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.006 5.124 2.756 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.936 3.916 3.620 1.00 17.10 H new ATOM 0 HG LEU A 71 13.135 3.430 1.512 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.337 5.220 -0.216 1.00 19.57 H new ATOM 0 HD12 LEU A 71 11.716 4.487 -0.207 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.975 6.083 0.537 1.00 19.57 H new ATOM 0 HD21 LEU A 71 14.503 5.662 1.745 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.086 6.383 2.545 1.00 17.51 H new ATOM 0 HD23 LEU A 71 13.984 5.069 3.340 1.00 17.51 H new ATOM 1150 N ARG A 72 11.058 1.173 0.858 1.00 21.47 N ATOM 1151 CA ARG A 72 11.735 -0.037 0.510 1.00 25.83 C ATOM 1152 C ARG A 72 13.035 0.314 -0.128 1.00 27.74 C ATOM 1153 O ARG A 72 13.126 0.889 -1.212 1.00 30.65 O ATOM 1154 CB ARG A 72 10.828 -0.918 -0.366 1.00 28.49 C ATOM 1155 CG ARG A 72 11.493 -2.262 -0.670 1.00 31.79 C ATOM 1156 CD ARG A 72 10.487 -3.233 -1.291 1.00 34.05 C ATOM 1157 NE ARG A 72 11.223 -4.489 -1.610 1.00 35.08 N ATOM 1158 CZ ARG A 72 10.733 -5.489 -2.399 1.00 34.67 C ATOM 1159 NH1 ARG A 72 9.740 -5.314 -3.319 1.00 35.02 N ATOM 1160 NH2 ARG A 72 11.263 -6.732 -2.211 1.00 34.97 N ATOM 0 H ARG A 72 10.489 1.548 0.099 1.00 21.47 H new ATOM 0 HA ARG A 72 11.959 -0.634 1.394 1.00 25.83 H new ATOM 0 HB2 ARG A 72 9.878 -1.085 0.142 1.00 28.49 H new ATOM 0 HB3 ARG A 72 10.604 -0.400 -1.299 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.331 -2.113 -1.351 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.899 -2.688 0.247 1.00 31.79 H new ATOM 0 HD2 ARG A 72 9.668 -3.432 -0.600 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.047 -2.806 -2.192 1.00 34.05 H new ATOM 0 HE ARG A 72 12.155 -4.609 -1.212 1.00 35.08 H new ATOM 0 HH11 ARG A 72 9.320 -4.393 -3.447 1.00 35.02 H new ATOM 0 HH12 ARG A 72 9.418 -6.104 -3.878 1.00 35.02 H new ATOM 0 HH21 ARG A 72 11.988 -6.876 -1.508 1.00 34.97 H new ATOM 0 HH22 ARG A 72 10.934 -7.517 -2.773 1.00 34.97 H new ATOM 1174 N LEU A 73 14.114 -0.073 0.575 1.00 28.93 N ATOM 1175 CA LEU A 73 15.461 0.068 0.115 1.00 30.76 C ATOM 1176 C LEU A 73 15.872 -1.070 -0.756 1.00 32.18 C ATOM 1177 O LEU A 73 15.262 -2.138 -0.770 1.00 32.31 O ATOM 1178 CB LEU A 73 16.288 0.287 1.392 1.00 30.53 C ATOM 1179 CG LEU A 73 16.055 1.527 2.271 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.808 1.360 3.602 1.00 29.11 C ATOM 1181 CD2 LEU A 73 16.508 2.847 1.624 1.00 29.57 C ATOM 0 H LEU A 73 14.046 -0.500 1.499 1.00 28.93 H new ATOM 0 HA LEU A 73 15.612 0.915 -0.554 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.140 -0.588 2.025 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.338 0.294 1.098 1.00 30.53 H new ATOM 0 HG LEU A 73 14.977 1.593 2.417 1.00 30.16 H new ATOM 0 HD11 LEU A 73 16.643 2.239 4.226 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.441 0.474 4.119 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.874 1.249 3.405 1.00 29.11 H new ATOM 0 HD21 LEU A 73 16.310 3.673 2.306 1.00 29.57 H new ATOM 0 HD22 LEU A 73 17.576 2.800 1.411 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.960 3.004 0.695 1.00 29.57 H new ATOM 1193 N ARG A 74 16.971 -0.880 -1.508 1.00 33.82 N ATOM 1194 CA ARG A 74 17.632 -1.878 -2.291 1.00 35.33 C ATOM 1195 C ARG A 74 18.243 -2.963 -1.473 1.00 36.22 C ATOM 1196 O ARG A 74 18.863 -2.791 -0.425 1.00 36.70 O ATOM 1197 CB ARG A 74 18.644 -1.201 -3.230 1.00 36.91 C ATOM 1198 CG ARG A 74 18.094 -0.169 -4.216 1.00 38.62 C ATOM 1199 CD ARG A 74 16.863 -0.465 -5.075 1.00 39.75 C ATOM 1200 NE ARG A 74 15.581 -0.222 -4.357 1.00 41.13 N ATOM 1201 CZ ARG A 74 14.536 -1.094 -4.251 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.465 -2.276 -4.931 1.00 42.75 N ATOM 1203 NH2 ARG A 74 13.433 -0.820 -3.494 1.00 41.93 N ATOM 0 H ARG A 74 17.427 0.030 -1.573 1.00 33.82 H new ATOM 0 HA ARG A 74 16.880 -2.387 -2.894 1.00 35.33 H new ATOM 0 HB2 ARG A 74 19.402 -0.713 -2.617 1.00 36.91 H new ATOM 0 HB3 ARG A 74 19.149 -1.980 -3.801 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.872 0.731 -3.643 1.00 38.62 H new ATOM 0 HG3 ARG A 74 18.905 0.081 -4.900 1.00 38.62 H new ATOM 0 HD2 ARG A 74 16.894 0.155 -5.971 1.00 39.75 H new ATOM 0 HD3 ARG A 74 16.898 -1.503 -5.404 1.00 39.75 H new ATOM 0 HE ARG A 74 15.473 0.684 -3.900 1.00 41.13 H new ATOM 0 HH11 ARG A 74 15.220 -2.549 -5.560 1.00 42.75 H new ATOM 0 HH12 ARG A 74 13.657 -2.886 -4.810 1.00 42.75 H new ATOM 0 HH21 ARG A 74 13.371 0.061 -2.984 1.00 41.93 H new ATOM 0 HH22 ARG A 74 12.671 -1.496 -3.439 1.00 41.93 H new ATOM 1217 N GLY A 75 18.120 -4.201 -1.985 1.00 36.31 N ATOM 1218 CA GLY A 75 18.550 -5.388 -1.313 1.00 36.07 C ATOM 1219 C GLY A 75 17.545 -5.977 -0.384 1.00 36.16 C ATOM 1220 O GLY A 75 17.709 -5.743 0.812 1.00 36.26 O ATOM 0 H GLY A 75 17.706 -4.382 -2.900 1.00 36.31 H new ATOM 0 HA2 GLY A 75 18.816 -6.136 -2.060 1.00 36.07 H new ATOM 0 HA3 GLY A 75 19.456 -5.163 -0.751 1.00 36.07 H new ATOM 1224 N GLY A 76 16.516 -6.710 -0.846 1.00 36.05 N ATOM 1225 CA GLY A 76 15.405 -7.075 -0.023 1.00 36.19 C ATOM 1226 C GLY A 76 14.090 -7.010 -0.786 1.00 36.20 C ATOM 1227 O GLY A 76 13.614 -5.857 -0.957 1.00 36.13 O ATOM 1228 OXT GLY A 76 13.652 -8.050 -1.348 1.00 36.27 O ATOM 0 H GLY A 76 16.454 -7.054 -1.804 1.00 36.05 H new ATOM 0 HA2 GLY A 76 15.553 -8.085 0.360 1.00 36.19 H new ATOM 0 HA3 GLY A 76 15.358 -6.410 0.840 1.00 36.19 H new TER 1232 GLY A 76