USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 459 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -2.28! C(o=-2.3!,f=-6.7!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -139:sc= 0.0453 (180deg=0) USER MOD Set 2.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 170:sc= -1.91! (180deg=-2.63!) USER MOD Single : A 5 TYR OH : rot 108:sc= -0.215 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.8) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.036) USER MOD Single : A 27 THR OG1 : rot -140:sc= 0.519 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.85) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.424 USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0306 (180deg=-0.29) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4!) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.62 USER MOD Single : A 54 ASN : amide:sc= -0.0917 X(o=-0.092,f=-0.097) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= -1.44! (180deg=-3.64!) USER MOD Single : A 64 HIS : no HE2:sc= -3.03! C(o=-3!,f=-8.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.117 -12.959 -6.000 1.00 0.00 N ATOM 2 CA VAL A 1 -0.436 -11.868 -5.261 1.00 0.00 C ATOM 3 C VAL A 1 -0.546 -10.612 -6.175 1.00 0.00 C ATOM 4 O VAL A 1 -0.809 -10.813 -7.347 1.00 0.00 O ATOM 5 CB VAL A 1 1.067 -12.293 -5.008 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.219 -13.327 -3.916 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.682 -12.869 -6.263 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.935 -13.866 -5.525 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.141 -12.778 -6.020 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.753 -12.999 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.878 -11.660 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 1 1.575 -11.379 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.273 -13.574 -3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.829 -12.928 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.665 -14.226 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.715 -13.154 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.117 -13.747 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.658 -12.122 -7.056 1.00 0.00 H new ATOM 19 N ARG A 2 -0.364 -9.399 -5.686 1.00 0.00 N ATOM 20 CA ARG A 2 -0.470 -8.182 -6.585 1.00 0.00 C ATOM 21 C ARG A 2 0.487 -7.069 -6.210 1.00 0.00 C ATOM 22 O ARG A 2 1.108 -7.162 -5.168 1.00 0.00 O ATOM 23 CB ARG A 2 -1.902 -7.572 -6.601 1.00 0.00 C ATOM 24 CG ARG A 2 -2.404 -7.161 -5.216 1.00 0.00 C ATOM 25 CD ARG A 2 -2.930 -8.423 -4.551 1.00 0.00 C ATOM 26 NE ARG A 2 -3.724 -8.063 -3.338 1.00 0.00 N ATOM 27 CZ ARG A 2 -4.812 -8.716 -3.046 1.00 0.00 C ATOM 28 NH1 ARG A 2 -5.118 -9.813 -3.672 1.00 0.00 N ATOM 29 NH2 ARG A 2 -5.576 -8.264 -2.112 1.00 0.00 N ATOM 0 H ARG A 2 -0.148 -9.195 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.211 -8.567 -7.571 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.910 -6.700 -7.255 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.593 -8.298 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.599 -6.720 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.189 -6.409 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.551 -8.982 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.099 -9.072 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.412 -7.302 -2.735 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.503 -10.172 -4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.973 -10.315 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.324 -7.409 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.433 -8.761 -1.869 1.00 0.00 H new ATOM 43 N ASP A 3 0.540 -6.082 -7.060 1.00 0.00 N ATOM 44 CA ASP A 3 1.408 -4.894 -6.874 1.00 0.00 C ATOM 45 C ASP A 3 0.305 -3.814 -6.823 1.00 0.00 C ATOM 46 O ASP A 3 -0.348 -3.544 -7.819 1.00 0.00 O ATOM 47 CB ASP A 3 2.348 -4.821 -8.102 1.00 0.00 C ATOM 48 CG ASP A 3 3.050 -6.181 -8.277 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.702 -6.600 -7.332 1.00 0.00 O ATOM 50 OD2 ASP A 3 2.892 -6.740 -9.347 1.00 0.00 O ATOM 0 H ASP A 3 -0.013 -6.054 -7.917 1.00 0.00 H new ATOM 0 HA ASP A 3 2.078 -4.841 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.779 -4.573 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.086 -4.031 -7.965 1.00 0.00 H new ATOM 55 N ALA A 4 0.120 -3.255 -5.653 1.00 0.00 N ATOM 56 CA ALA A 4 -0.915 -2.190 -5.403 1.00 0.00 C ATOM 57 C ALA A 4 -0.674 -1.447 -4.073 1.00 0.00 C ATOM 58 O ALA A 4 0.190 -1.814 -3.290 1.00 0.00 O ATOM 59 CB ALA A 4 -2.274 -2.823 -5.339 1.00 0.00 C ATOM 0 H ALA A 4 0.664 -3.500 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.846 -1.473 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.025 -2.054 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.487 -3.323 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.298 -3.552 -4.529 1.00 0.00 H new ATOM 65 N TYR A 5 -1.471 -0.418 -3.844 1.00 0.00 N ATOM 66 CA TYR A 5 -1.355 0.380 -2.591 1.00 0.00 C ATOM 67 C TYR A 5 -2.140 -0.448 -1.577 1.00 0.00 C ATOM 68 O TYR A 5 -3.331 -0.688 -1.718 1.00 0.00 O ATOM 69 CB TYR A 5 -2.045 1.713 -2.691 1.00 0.00 C ATOM 70 CG TYR A 5 -1.244 2.805 -3.383 1.00 0.00 C ATOM 71 CD1 TYR A 5 0.060 3.041 -3.032 1.00 0.00 C ATOM 72 CD2 TYR A 5 -1.831 3.594 -4.339 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.757 4.052 -3.626 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.132 4.604 -4.933 1.00 0.00 C ATOM 75 CZ TYR A 5 0.169 4.844 -4.583 1.00 0.00 C ATOM 76 OH TYR A 5 0.877 5.861 -5.179 1.00 0.00 O ATOM 0 H TYR A 5 -2.200 -0.103 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.309 0.571 -2.349 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.985 1.579 -3.227 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.297 2.051 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.536 2.425 -2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.857 3.414 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.783 4.232 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.608 5.217 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 5 1.088 5.614 -6.104 1.00 0.00 H new ATOM 86 N ILE A 6 -1.427 -0.825 -0.565 1.00 0.00 N ATOM 87 CA ILE A 6 -2.052 -1.646 0.497 1.00 0.00 C ATOM 88 C ILE A 6 -3.181 -0.881 1.178 1.00 0.00 C ATOM 89 O ILE A 6 -3.194 0.334 1.258 1.00 0.00 O ATOM 90 CB ILE A 6 -0.916 -2.049 1.483 1.00 0.00 C ATOM 91 CG1 ILE A 6 -1.426 -2.818 2.729 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.056 -0.883 1.904 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.927 -4.239 2.707 1.00 0.00 C ATOM 0 H ILE A 6 -0.441 -0.602 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.515 -2.544 0.088 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.292 -2.733 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.085 -2.320 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.516 -2.808 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.716 -1.230 2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.412 -0.440 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.674 -0.136 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.293 -4.767 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.289 -4.738 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.163 -4.242 2.709 1.00 0.00 H new ATOM 105 N ALA A 7 -4.112 -1.644 1.670 1.00 0.00 N ATOM 106 CA ALA A 7 -5.284 -1.020 2.366 1.00 0.00 C ATOM 107 C ALA A 7 -5.099 -0.665 3.834 1.00 0.00 C ATOM 108 O ALA A 7 -4.237 -1.203 4.502 1.00 0.00 O ATOM 109 CB ALA A 7 -6.450 -1.966 2.257 1.00 0.00 C ATOM 0 H ALA A 7 -4.120 -2.663 1.625 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.436 -0.065 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.317 -1.534 2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.684 -2.135 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.194 -2.915 2.729 1.00 0.00 H new ATOM 115 N LYS A 8 -5.939 0.239 4.273 1.00 0.00 N ATOM 116 CA LYS A 8 -5.877 0.678 5.684 1.00 0.00 C ATOM 117 C LYS A 8 -7.097 0.160 6.474 1.00 0.00 C ATOM 118 O LYS A 8 -7.019 -0.861 7.126 1.00 0.00 O ATOM 119 CB LYS A 8 -5.821 2.200 5.682 1.00 0.00 C ATOM 120 CG LYS A 8 -4.773 2.733 6.642 1.00 0.00 C ATOM 121 CD LYS A 8 -4.999 2.188 8.066 1.00 0.00 C ATOM 122 CE LYS A 8 -3.885 2.728 8.953 1.00 0.00 C ATOM 123 NZ LYS A 8 -3.588 1.692 9.994 1.00 0.00 N ATOM 0 H LYS A 8 -6.661 0.687 3.709 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.994 0.271 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.602 2.553 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.798 2.599 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.779 2.451 6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.808 3.822 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.973 2.499 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.991 1.098 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.995 2.942 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.189 3.664 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.436 2.156 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.390 1.034 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.732 1.166 9.726 1.00 0.00 H new ATOM 137 N ASN A 9 -8.198 0.874 6.410 1.00 0.00 N ATOM 138 CA ASN A 9 -9.421 0.440 7.154 1.00 0.00 C ATOM 139 C ASN A 9 -10.743 0.764 6.400 1.00 0.00 C ATOM 140 O ASN A 9 -11.561 -0.112 6.223 1.00 0.00 O ATOM 141 CB ASN A 9 -9.347 1.134 8.554 1.00 0.00 C ATOM 142 CG ASN A 9 -9.958 0.255 9.666 1.00 0.00 C ATOM 143 OD1 ASN A 9 -11.131 0.293 9.955 1.00 0.00 O ATOM 144 ND2 ASN A 9 -9.200 -0.570 10.331 1.00 0.00 N ATOM 0 H ASN A 9 -8.300 1.737 5.875 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.439 -0.645 7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.307 1.354 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.874 2.088 8.515 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.602 -1.153 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.204 -0.632 10.118 1.00 0.00 H new ATOM 151 N TYR A 10 -10.919 1.985 5.935 1.00 0.00 N ATOM 152 CA TYR A 10 -12.160 2.400 5.219 1.00 0.00 C ATOM 153 C TYR A 10 -11.920 2.779 3.749 1.00 0.00 C ATOM 154 O TYR A 10 -12.087 3.895 3.296 1.00 0.00 O ATOM 155 CB TYR A 10 -12.781 3.590 5.998 1.00 0.00 C ATOM 156 CG TYR A 10 -13.608 3.149 7.236 1.00 0.00 C ATOM 157 CD1 TYR A 10 -14.735 2.367 7.069 1.00 0.00 C ATOM 158 CD2 TYR A 10 -13.257 3.524 8.522 1.00 0.00 C ATOM 159 CE1 TYR A 10 -15.489 1.969 8.152 1.00 0.00 C ATOM 160 CE2 TYR A 10 -14.019 3.122 9.605 1.00 0.00 C ATOM 161 CZ TYR A 10 -15.139 2.341 9.427 1.00 0.00 C ATOM 162 OH TYR A 10 -15.899 1.932 10.504 1.00 0.00 O ATOM 0 H TYR A 10 -10.227 2.728 6.030 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.841 1.549 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -11.984 4.259 6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.422 4.160 5.326 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.029 2.063 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -12.381 4.135 8.681 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.365 1.357 7.996 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.732 3.424 10.601 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.509 2.283 11.332 1.00 0.00 H new ATOM 172 N ASN A 11 -11.506 1.781 3.023 1.00 0.00 N ATOM 173 CA ASN A 11 -11.227 1.953 1.540 1.00 0.00 C ATOM 174 C ASN A 11 -10.108 2.931 1.271 1.00 0.00 C ATOM 175 O ASN A 11 -10.001 3.509 0.209 1.00 0.00 O ATOM 176 CB ASN A 11 -12.545 2.422 0.874 1.00 0.00 C ATOM 177 CG ASN A 11 -12.432 2.508 -0.638 1.00 0.00 C ATOM 178 OD1 ASN A 11 -12.313 3.564 -1.218 1.00 0.00 O ATOM 179 ND2 ASN A 11 -12.468 1.406 -1.314 1.00 0.00 N ATOM 0 H ASN A 11 -11.343 0.840 3.381 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.894 1.003 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.347 1.732 1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.822 3.399 1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.396 1.429 -2.331 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.568 0.514 -0.830 1.00 0.00 H new ATOM 186 N CYS A 12 -9.280 3.076 2.257 1.00 0.00 N ATOM 187 CA CYS A 12 -8.148 4.002 2.107 1.00 0.00 C ATOM 188 C CYS A 12 -6.905 3.149 2.221 1.00 0.00 C ATOM 189 O CYS A 12 -7.006 1.953 2.429 1.00 0.00 O ATOM 190 CB CYS A 12 -8.189 5.043 3.198 1.00 0.00 C ATOM 191 SG CYS A 12 -7.230 6.495 2.730 1.00 0.00 S ATOM 0 H CYS A 12 -9.341 2.594 3.154 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.174 4.534 1.156 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.222 5.331 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.794 4.623 4.123 1.00 0.00 H new ATOM 196 N VAL A 13 -5.801 3.794 2.084 1.00 0.00 N ATOM 197 CA VAL A 13 -4.481 3.121 2.157 1.00 0.00 C ATOM 198 C VAL A 13 -3.606 3.678 3.302 1.00 0.00 C ATOM 199 O VAL A 13 -4.102 4.309 4.213 1.00 0.00 O ATOM 200 CB VAL A 13 -3.851 3.318 0.776 1.00 0.00 C ATOM 201 CG1 VAL A 13 -4.706 2.610 -0.246 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.822 4.776 0.392 1.00 0.00 C ATOM 0 H VAL A 13 -5.749 4.799 1.918 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.580 2.062 2.393 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.834 2.927 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.271 2.740 -1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.754 1.548 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.712 3.030 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.369 4.884 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.839 5.166 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.237 5.333 1.123 1.00 0.00 H new ATOM 212 N TYR A 14 -2.331 3.427 3.200 1.00 0.00 N ATOM 213 CA TYR A 14 -1.328 3.872 4.210 1.00 0.00 C ATOM 214 C TYR A 14 -0.581 5.122 3.714 1.00 0.00 C ATOM 215 O TYR A 14 -0.794 5.580 2.613 1.00 0.00 O ATOM 216 CB TYR A 14 -0.360 2.727 4.408 1.00 0.00 C ATOM 217 CG TYR A 14 -0.831 1.717 5.475 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.555 1.987 6.799 1.00 0.00 C ATOM 219 CD2 TYR A 14 -1.502 0.550 5.163 1.00 0.00 C ATOM 220 CE1 TYR A 14 -0.934 1.117 7.793 1.00 0.00 C ATOM 221 CE2 TYR A 14 -1.880 -0.322 6.162 1.00 0.00 C ATOM 222 CZ TYR A 14 -1.597 -0.043 7.482 1.00 0.00 C ATOM 223 OH TYR A 14 -1.965 -0.905 8.495 1.00 0.00 O ATOM 0 H TYR A 14 -1.925 2.908 2.422 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.817 4.134 5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.222 2.207 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.612 3.126 4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.033 2.896 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.731 0.320 4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.709 1.348 8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.403 -1.232 5.908 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.427 -1.680 8.113 1.00 0.00 H new ATOM 233 N GLU A 15 0.272 5.636 4.550 1.00 0.00 N ATOM 234 CA GLU A 15 1.070 6.840 4.201 1.00 0.00 C ATOM 235 C GLU A 15 2.466 6.515 4.710 1.00 0.00 C ATOM 236 O GLU A 15 2.637 6.115 5.847 1.00 0.00 O ATOM 237 CB GLU A 15 0.491 8.047 4.923 1.00 0.00 C ATOM 238 CG GLU A 15 -0.934 8.305 4.421 1.00 0.00 C ATOM 239 CD GLU A 15 -1.699 9.002 5.546 1.00 0.00 C ATOM 240 OE1 GLU A 15 -1.535 10.209 5.646 1.00 0.00 O ATOM 241 OE2 GLU A 15 -2.391 8.266 6.238 1.00 0.00 O ATOM 0 H GLU A 15 0.454 5.263 5.482 1.00 0.00 H new ATOM 0 HA GLU A 15 1.070 7.075 3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.483 7.872 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.115 8.923 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.918 8.927 3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.420 7.368 4.150 1.00 0.00 H new ATOM 248 N CYS A 16 3.418 6.688 3.852 1.00 0.00 N ATOM 249 CA CYS A 16 4.839 6.416 4.188 1.00 0.00 C ATOM 250 C CYS A 16 5.672 7.471 3.473 1.00 0.00 C ATOM 251 O CYS A 16 5.203 8.102 2.542 1.00 0.00 O ATOM 252 CB CYS A 16 5.171 5.009 3.703 1.00 0.00 C ATOM 253 SG CYS A 16 4.386 4.542 2.143 1.00 0.00 S ATOM 0 H CYS A 16 3.269 7.018 2.898 1.00 0.00 H new ATOM 0 HA CYS A 16 5.041 6.465 5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.252 4.924 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.874 4.295 4.471 1.00 0.00 H new ATOM 258 N PHE A 17 6.881 7.637 3.941 1.00 0.00 N ATOM 259 CA PHE A 17 7.819 8.632 3.332 1.00 0.00 C ATOM 260 C PHE A 17 9.238 8.011 3.196 1.00 0.00 C ATOM 261 O PHE A 17 10.212 8.648 2.824 1.00 0.00 O ATOM 262 CB PHE A 17 7.812 9.873 4.238 1.00 0.00 C ATOM 263 CG PHE A 17 7.687 11.185 3.425 1.00 0.00 C ATOM 264 CD1 PHE A 17 8.590 11.527 2.432 1.00 0.00 C ATOM 265 CD2 PHE A 17 6.644 12.055 3.691 1.00 0.00 C ATOM 266 CE1 PHE A 17 8.449 12.708 1.729 1.00 0.00 C ATOM 267 CE2 PHE A 17 6.502 13.236 2.990 1.00 0.00 C ATOM 268 CZ PHE A 17 7.407 13.565 2.008 1.00 0.00 C ATOM 0 H PHE A 17 7.266 7.119 4.731 1.00 0.00 H new ATOM 0 HA PHE A 17 7.508 8.916 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 17 6.983 9.803 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.729 9.897 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.412 10.864 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.928 11.806 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.160 12.961 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.681 13.901 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.302 14.489 1.459 1.00 0.00 H new ATOM 278 N ARG A 18 9.322 6.748 3.529 1.00 0.00 N ATOM 279 CA ARG A 18 10.618 5.997 3.450 1.00 0.00 C ATOM 280 C ARG A 18 10.384 4.643 2.779 1.00 0.00 C ATOM 281 O ARG A 18 9.783 3.779 3.387 1.00 0.00 O ATOM 282 CB ARG A 18 11.184 5.732 4.844 1.00 0.00 C ATOM 283 CG ARG A 18 11.505 7.036 5.635 1.00 0.00 C ATOM 284 CD ARG A 18 12.858 7.685 5.197 1.00 0.00 C ATOM 285 NE ARG A 18 12.656 8.725 4.120 1.00 0.00 N ATOM 286 CZ ARG A 18 13.432 9.782 4.047 1.00 0.00 C ATOM 287 NH1 ARG A 18 14.581 9.781 4.666 1.00 0.00 N ATOM 288 NH2 ARG A 18 13.035 10.808 3.353 1.00 0.00 N ATOM 0 H ARG A 18 8.533 6.193 3.859 1.00 0.00 H new ATOM 0 HA ARG A 18 11.320 6.603 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.469 5.137 5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.093 5.137 4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.698 7.754 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.542 6.811 6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.338 8.144 6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.532 6.910 4.833 1.00 0.00 H new ATOM 0 HE ARG A 18 11.906 8.604 3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.871 8.963 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.189 10.598 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.134 10.783 2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.625 11.637 3.286 1.00 0.00 H new ATOM 302 N ASP A 19 10.842 4.479 1.567 1.00 0.00 N ATOM 303 CA ASP A 19 10.674 3.185 0.813 1.00 0.00 C ATOM 304 C ASP A 19 10.838 1.993 1.753 1.00 0.00 C ATOM 305 O ASP A 19 10.081 1.045 1.794 1.00 0.00 O ATOM 306 CB ASP A 19 11.721 3.123 -0.277 1.00 0.00 C ATOM 307 CG ASP A 19 11.211 2.299 -1.463 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.050 2.492 -1.777 1.00 0.00 O ATOM 309 OD2 ASP A 19 11.994 1.534 -2.003 1.00 0.00 O ATOM 0 H ASP A 19 11.340 5.203 1.048 1.00 0.00 H new ATOM 0 HA ASP A 19 9.675 3.144 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.971 4.131 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.637 2.680 0.115 1.00 0.00 H new ATOM 314 N SER A 20 11.893 2.114 2.513 1.00 0.00 N ATOM 315 CA SER A 20 12.298 1.106 3.529 1.00 0.00 C ATOM 316 C SER A 20 11.099 0.729 4.383 1.00 0.00 C ATOM 317 O SER A 20 10.769 -0.435 4.497 1.00 0.00 O ATOM 318 CB SER A 20 13.405 1.709 4.419 1.00 0.00 C ATOM 319 OG SER A 20 14.260 2.356 3.486 1.00 0.00 O ATOM 0 H SER A 20 12.521 2.916 2.464 1.00 0.00 H new ATOM 0 HA SER A 20 12.673 0.211 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.998 2.412 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.933 0.939 4.981 1.00 0.00 H new ATOM 0 HG SER A 20 15.005 2.778 3.963 1.00 0.00 H new ATOM 325 N TYR A 21 10.487 1.746 4.954 1.00 0.00 N ATOM 326 CA TYR A 21 9.294 1.518 5.827 1.00 0.00 C ATOM 327 C TYR A 21 8.441 0.481 5.132 1.00 0.00 C ATOM 328 O TYR A 21 8.029 -0.494 5.719 1.00 0.00 O ATOM 329 CB TYR A 21 8.474 2.814 5.991 1.00 0.00 C ATOM 330 CG TYR A 21 7.568 2.599 7.216 1.00 0.00 C ATOM 331 CD1 TYR A 21 8.125 2.626 8.476 1.00 0.00 C ATOM 332 CD2 TYR A 21 6.219 2.352 7.082 1.00 0.00 C ATOM 333 CE1 TYR A 21 7.345 2.407 9.589 1.00 0.00 C ATOM 334 CE2 TYR A 21 5.438 2.133 8.195 1.00 0.00 C ATOM 335 CZ TYR A 21 5.995 2.156 9.457 1.00 0.00 C ATOM 336 OH TYR A 21 5.216 1.912 10.572 1.00 0.00 O ATOM 0 H TYR A 21 10.765 2.722 4.850 1.00 0.00 H new ATOM 0 HA TYR A 21 9.610 1.193 6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.129 3.673 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.881 3.014 5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.181 2.820 8.591 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.772 2.330 6.099 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.793 2.432 10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.381 1.942 8.079 1.00 0.00 H new ATOM 0 HH TYR A 21 4.289 1.756 10.296 1.00 0.00 H new ATOM 346 N CYS A 22 8.227 0.731 3.869 1.00 0.00 N ATOM 347 CA CYS A 22 7.396 -0.220 3.086 1.00 0.00 C ATOM 348 C CYS A 22 8.044 -1.574 3.015 1.00 0.00 C ATOM 349 O CYS A 22 7.403 -2.565 3.307 1.00 0.00 O ATOM 350 CB CYS A 22 7.190 0.204 1.656 1.00 0.00 C ATOM 351 SG CYS A 22 5.537 -0.354 1.215 1.00 0.00 S ATOM 0 H CYS A 22 8.584 1.537 3.356 1.00 0.00 H new ATOM 0 HA CYS A 22 6.441 -0.243 3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.279 1.285 1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.941 -0.242 1.004 1.00 0.00 H new ATOM 356 N ASN A 23 9.282 -1.568 2.609 1.00 0.00 N ATOM 357 CA ASN A 23 10.059 -2.841 2.498 1.00 0.00 C ATOM 358 C ASN A 23 9.820 -3.677 3.763 1.00 0.00 C ATOM 359 O ASN A 23 9.921 -4.884 3.735 1.00 0.00 O ATOM 360 CB ASN A 23 11.558 -2.570 2.373 1.00 0.00 C ATOM 361 CG ASN A 23 12.231 -3.906 2.082 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.055 -4.526 1.056 1.00 0.00 O ATOM 363 ND2 ASN A 23 13.024 -4.389 2.975 1.00 0.00 N ATOM 0 H ASN A 23 9.797 -0.728 2.346 1.00 0.00 H new ATOM 0 HA ASN A 23 9.725 -3.370 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.755 -1.857 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.949 -2.134 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.492 -5.280 2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.183 -3.880 3.844 1.00 0.00 H new ATOM 370 N ASP A 24 9.522 -3.022 4.856 1.00 0.00 N ATOM 371 CA ASP A 24 9.254 -3.721 6.136 1.00 0.00 C ATOM 372 C ASP A 24 7.719 -4.000 6.208 1.00 0.00 C ATOM 373 O ASP A 24 7.248 -5.114 6.328 1.00 0.00 O ATOM 374 CB ASP A 24 9.738 -2.786 7.259 1.00 0.00 C ATOM 375 CG ASP A 24 10.935 -3.431 7.957 1.00 0.00 C ATOM 376 OD1 ASP A 24 10.683 -4.346 8.720 1.00 0.00 O ATOM 377 OD2 ASP A 24 12.036 -2.987 7.683 1.00 0.00 O ATOM 0 H ASP A 24 9.453 -2.006 4.909 1.00 0.00 H new ATOM 0 HA ASP A 24 9.771 -4.676 6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.019 -1.816 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.935 -2.608 7.974 1.00 0.00 H new ATOM 382 N LEU A 25 6.956 -2.950 6.129 1.00 0.00 N ATOM 383 CA LEU A 25 5.448 -2.989 6.170 1.00 0.00 C ATOM 384 C LEU A 25 4.752 -4.025 5.281 1.00 0.00 C ATOM 385 O LEU A 25 3.896 -4.784 5.694 1.00 0.00 O ATOM 386 CB LEU A 25 4.920 -1.597 5.766 1.00 0.00 C ATOM 387 CG LEU A 25 3.349 -1.544 5.659 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.751 -1.529 7.041 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.890 -0.304 4.930 1.00 0.00 C ATOM 0 H LEU A 25 7.330 -2.006 6.032 1.00 0.00 H new ATOM 0 HA LEU A 25 5.210 -3.285 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.254 -0.861 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.354 -1.314 4.807 1.00 0.00 H new ATOM 0 HG LEU A 25 3.022 -2.424 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.664 -1.492 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.048 -2.431 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.107 -0.653 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.802 -0.297 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.231 0.581 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.306 -0.299 3.923 1.00 0.00 H new ATOM 401 N CYS A 26 5.136 -4.024 4.042 1.00 0.00 N ATOM 402 CA CYS A 26 4.503 -4.989 3.073 1.00 0.00 C ATOM 403 C CYS A 26 4.942 -6.424 3.259 1.00 0.00 C ATOM 404 O CYS A 26 4.151 -7.359 3.257 1.00 0.00 O ATOM 405 CB CYS A 26 4.837 -4.511 1.674 1.00 0.00 C ATOM 406 SG CYS A 26 4.075 -2.944 1.208 1.00 0.00 S ATOM 0 H CYS A 26 5.850 -3.411 3.649 1.00 0.00 H new ATOM 0 HA CYS A 26 3.428 -4.997 3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 26 5.919 -4.413 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.528 -5.275 0.961 1.00 0.00 H new ATOM 411 N THR A 27 6.214 -6.573 3.437 1.00 0.00 N ATOM 412 CA THR A 27 6.770 -7.919 3.632 1.00 0.00 C ATOM 413 C THR A 27 6.094 -8.416 4.921 1.00 0.00 C ATOM 414 O THR A 27 5.651 -9.546 4.941 1.00 0.00 O ATOM 415 CB THR A 27 8.264 -7.719 3.695 1.00 0.00 C ATOM 416 OG1 THR A 27 8.357 -6.786 4.754 1.00 0.00 O ATOM 417 CG2 THR A 27 8.714 -7.041 2.414 1.00 0.00 C ATOM 0 H THR A 27 6.894 -5.813 3.455 1.00 0.00 H new ATOM 0 HA THR A 27 6.592 -8.668 2.861 1.00 0.00 H new ATOM 0 HB THR A 27 8.851 -8.629 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.043 -6.118 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.793 -6.889 2.443 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.459 -7.669 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.214 -6.077 2.317 1.00 0.00 H new ATOM 425 N LYS A 28 6.023 -7.590 5.943 1.00 0.00 N ATOM 426 CA LYS A 28 5.361 -7.984 7.233 1.00 0.00 C ATOM 427 C LYS A 28 4.022 -8.690 6.965 1.00 0.00 C ATOM 428 O LYS A 28 3.688 -9.646 7.641 1.00 0.00 O ATOM 429 CB LYS A 28 5.145 -6.709 8.105 1.00 0.00 C ATOM 430 CG LYS A 28 4.494 -6.993 9.530 1.00 0.00 C ATOM 431 CD LYS A 28 2.933 -6.803 9.517 1.00 0.00 C ATOM 432 CE LYS A 28 2.149 -8.131 9.801 1.00 0.00 C ATOM 433 NZ LYS A 28 0.702 -8.012 9.407 1.00 0.00 N ATOM 0 H LYS A 28 6.403 -6.643 5.937 1.00 0.00 H new ATOM 0 HA LYS A 28 6.003 -8.684 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.106 -6.215 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.507 -6.013 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.732 -8.010 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.934 -6.323 10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.657 -6.059 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.629 -6.409 8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.610 -8.952 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.220 -8.377 10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.213 -8.907 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.256 -7.245 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.635 -7.802 8.391 1.00 0.00 H new ATOM 447 N ASN A 29 3.280 -8.225 5.987 1.00 0.00 N ATOM 448 CA ASN A 29 1.958 -8.889 5.703 1.00 0.00 C ATOM 449 C ASN A 29 2.182 -10.200 4.926 1.00 0.00 C ATOM 450 O ASN A 29 1.393 -11.125 4.983 1.00 0.00 O ATOM 451 CB ASN A 29 1.080 -7.945 4.871 1.00 0.00 C ATOM 452 CG ASN A 29 -0.356 -8.133 5.342 1.00 0.00 C ATOM 453 OD1 ASN A 29 -0.853 -9.225 5.500 1.00 0.00 O ATOM 454 ND2 ASN A 29 -1.099 -7.100 5.591 1.00 0.00 N ATOM 0 H ASN A 29 3.519 -7.437 5.386 1.00 0.00 H new ATOM 0 HA ASN A 29 1.462 -9.114 6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.396 -6.910 5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.169 -8.173 3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.061 -7.228 5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.722 -6.160 5.472 1.00 0.00 H new ATOM 461 N GLY A 30 3.270 -10.211 4.212 1.00 0.00 N ATOM 462 CA GLY A 30 3.667 -11.392 3.391 1.00 0.00 C ATOM 463 C GLY A 30 3.778 -11.015 1.928 1.00 0.00 C ATOM 464 O GLY A 30 3.441 -11.808 1.071 1.00 0.00 O ATOM 0 H GLY A 30 3.922 -9.428 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.621 -11.782 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.933 -12.188 3.512 1.00 0.00 H new ATOM 468 N ALA A 31 4.239 -9.822 1.666 1.00 0.00 N ATOM 469 CA ALA A 31 4.384 -9.383 0.246 1.00 0.00 C ATOM 470 C ALA A 31 5.775 -9.858 -0.141 1.00 0.00 C ATOM 471 O ALA A 31 6.579 -10.150 0.727 1.00 0.00 O ATOM 472 CB ALA A 31 4.306 -7.879 0.173 1.00 0.00 C ATOM 0 H ALA A 31 4.520 -9.136 2.367 1.00 0.00 H new ATOM 0 HA ALA A 31 3.608 -9.779 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.412 -7.559 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.343 -7.545 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.107 -7.444 0.771 1.00 0.00 H new ATOM 478 N SER A 32 6.036 -9.912 -1.417 1.00 0.00 N ATOM 479 CA SER A 32 7.393 -10.382 -1.822 1.00 0.00 C ATOM 480 C SER A 32 8.352 -9.229 -1.599 1.00 0.00 C ATOM 481 O SER A 32 9.445 -9.461 -1.120 1.00 0.00 O ATOM 482 CB SER A 32 7.416 -10.780 -3.294 1.00 0.00 C ATOM 483 OG SER A 32 8.655 -11.453 -3.495 1.00 0.00 O ATOM 0 H SER A 32 5.398 -9.662 -2.173 1.00 0.00 H new ATOM 0 HA SER A 32 7.674 -11.256 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.575 -11.429 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.338 -9.903 -3.937 1.00 0.00 H new ATOM 0 HG SER A 32 8.726 -11.736 -4.431 1.00 0.00 H new ATOM 489 N SER A 33 7.944 -8.039 -1.943 1.00 0.00 N ATOM 490 CA SER A 33 8.883 -6.885 -1.731 1.00 0.00 C ATOM 491 C SER A 33 8.031 -5.646 -1.357 1.00 0.00 C ATOM 492 O SER A 33 6.850 -5.650 -1.664 1.00 0.00 O ATOM 493 CB SER A 33 9.692 -6.719 -3.073 1.00 0.00 C ATOM 494 OG SER A 33 10.269 -8.002 -3.345 1.00 0.00 O ATOM 0 H SER A 33 7.036 -7.812 -2.348 1.00 0.00 H new ATOM 0 HA SER A 33 9.596 -7.033 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.039 -6.404 -3.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.465 -5.957 -2.972 1.00 0.00 H new ATOM 0 HG SER A 33 10.787 -7.958 -4.176 1.00 0.00 H new ATOM 500 N GLY A 34 8.581 -4.629 -0.729 1.00 0.00 N ATOM 501 CA GLY A 34 7.740 -3.429 -0.375 1.00 0.00 C ATOM 502 C GLY A 34 8.395 -2.100 -0.770 1.00 0.00 C ATOM 503 O GLY A 34 9.568 -1.920 -0.512 1.00 0.00 O ATOM 0 H GLY A 34 9.560 -4.575 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.772 -3.512 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.550 -3.429 0.698 1.00 0.00 H new ATOM 507 N TYR A 35 7.635 -1.229 -1.382 1.00 0.00 N ATOM 508 CA TYR A 35 8.144 0.118 -1.811 1.00 0.00 C ATOM 509 C TYR A 35 7.017 1.076 -1.435 1.00 0.00 C ATOM 510 O TYR A 35 5.911 0.618 -1.265 1.00 0.00 O ATOM 511 CB TYR A 35 8.383 0.004 -3.312 1.00 0.00 C ATOM 512 CG TYR A 35 8.676 1.309 -4.048 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.673 2.224 -4.238 1.00 0.00 C ATOM 514 CD2 TYR A 35 9.941 1.591 -4.529 1.00 0.00 C ATOM 515 CE1 TYR A 35 7.925 3.398 -4.896 1.00 0.00 C ATOM 516 CE2 TYR A 35 10.186 2.769 -5.187 1.00 0.00 C ATOM 517 CZ TYR A 35 9.175 3.676 -5.372 1.00 0.00 C ATOM 518 OH TYR A 35 9.414 4.868 -6.019 1.00 0.00 O ATOM 0 H TYR A 35 6.655 -1.396 -1.610 1.00 0.00 H new ATOM 0 HA TYR A 35 9.071 0.464 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.219 -0.677 -3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.504 -0.455 -3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.680 2.018 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.741 0.880 -4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.127 4.112 -5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.177 2.982 -5.560 1.00 0.00 H new ATOM 0 HH TYR A 35 10.354 4.909 -6.293 1.00 0.00 H new ATOM 528 N CYS A 36 7.253 2.348 -1.325 1.00 0.00 N ATOM 529 CA CYS A 36 6.144 3.283 -0.943 1.00 0.00 C ATOM 530 C CYS A 36 5.879 4.131 -2.170 1.00 0.00 C ATOM 531 O CYS A 36 6.834 4.635 -2.727 1.00 0.00 O ATOM 532 CB CYS A 36 6.612 4.149 0.200 1.00 0.00 C ATOM 533 SG CYS A 36 5.471 5.449 0.712 1.00 0.00 S ATOM 0 H CYS A 36 8.160 2.789 -1.481 1.00 0.00 H new ATOM 0 HA CYS A 36 5.243 2.757 -0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.813 3.508 1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.558 4.611 -0.082 1.00 0.00 H new ATOM 538 N GLN A 37 4.655 4.314 -2.581 1.00 0.00 N ATOM 539 CA GLN A 37 4.436 5.140 -3.792 1.00 0.00 C ATOM 540 C GLN A 37 3.499 6.318 -3.463 1.00 0.00 C ATOM 541 O GLN A 37 2.717 6.308 -2.523 1.00 0.00 O ATOM 542 CB GLN A 37 3.933 4.106 -4.853 1.00 0.00 C ATOM 543 CG GLN A 37 3.949 4.602 -6.303 1.00 0.00 C ATOM 544 CD GLN A 37 5.368 5.075 -6.605 1.00 0.00 C ATOM 545 OE1 GLN A 37 5.719 6.171 -6.229 1.00 0.00 O ATOM 546 NE2 GLN A 37 6.226 4.328 -7.238 1.00 0.00 N ATOM 0 H GLN A 37 3.817 3.936 -2.140 1.00 0.00 H new ATOM 0 HA GLN A 37 5.314 5.650 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.550 3.210 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.915 3.812 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.657 3.804 -6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.236 5.415 -6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.952 3.401 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.172 4.670 -7.408 1.00 0.00 H new ATOM 555 N TRP A 38 3.579 7.317 -4.288 1.00 0.00 N ATOM 556 CA TRP A 38 2.745 8.536 -4.072 1.00 0.00 C ATOM 557 C TRP A 38 1.927 8.825 -5.319 1.00 0.00 C ATOM 558 O TRP A 38 2.466 8.754 -6.405 1.00 0.00 O ATOM 559 CB TRP A 38 3.711 9.743 -3.746 1.00 0.00 C ATOM 560 CG TRP A 38 5.191 9.314 -3.606 1.00 0.00 C ATOM 561 CD1 TRP A 38 5.970 8.788 -4.601 1.00 0.00 C ATOM 562 CD2 TRP A 38 5.956 9.373 -2.477 1.00 0.00 C ATOM 563 NE1 TRP A 38 7.127 8.565 -4.020 1.00 0.00 N ATOM 564 CE2 TRP A 38 7.229 8.879 -2.747 1.00 0.00 C ATOM 565 CE3 TRP A 38 5.649 9.822 -1.208 1.00 0.00 C ATOM 566 CZ2 TRP A 38 8.199 8.836 -1.740 1.00 0.00 C ATOM 567 CZ3 TRP A 38 6.609 9.782 -0.193 1.00 0.00 C ATOM 568 CH2 TRP A 38 7.886 9.289 -0.458 1.00 0.00 C ATOM 0 H TRP A 38 4.186 7.347 -5.107 1.00 0.00 H new ATOM 0 HA TRP A 38 2.055 8.386 -3.242 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.628 10.490 -4.535 1.00 0.00 H new ATOM 0 HB3 TRP A 38 3.388 10.220 -2.821 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.696 8.599 -5.629 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.912 8.166 -4.534 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.662 10.206 -0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 9.186 8.454 -1.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.361 10.133 0.798 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.629 9.258 0.325 1.00 0.00 H new ATOM 579 N ALA A 39 0.666 9.130 -5.132 1.00 0.00 N ATOM 580 CA ALA A 39 -0.231 9.442 -6.287 1.00 0.00 C ATOM 581 C ALA A 39 -0.156 8.412 -7.430 1.00 0.00 C ATOM 582 O ALA A 39 0.295 8.702 -8.523 1.00 0.00 O ATOM 583 CB ALA A 39 0.139 10.824 -6.767 1.00 0.00 C ATOM 0 H ALA A 39 0.216 9.176 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.268 9.397 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.492 11.096 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.008 11.541 -5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.184 10.834 -7.076 1.00 0.00 H new ATOM 589 N GLY A 40 -0.629 7.234 -7.109 1.00 0.00 N ATOM 590 CA GLY A 40 -0.634 6.131 -8.120 1.00 0.00 C ATOM 591 C GLY A 40 -1.988 6.270 -8.803 1.00 0.00 C ATOM 592 O GLY A 40 -2.088 6.553 -9.979 1.00 0.00 O ATOM 0 H GLY A 40 -1.010 6.988 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.185 6.236 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.523 5.155 -7.648 1.00 0.00 H new ATOM 596 N LYS A 41 -3.029 6.052 -8.046 1.00 0.00 N ATOM 597 CA LYS A 41 -4.409 6.166 -8.577 1.00 0.00 C ATOM 598 C LYS A 41 -5.347 6.497 -7.389 1.00 0.00 C ATOM 599 O LYS A 41 -6.140 7.410 -7.484 1.00 0.00 O ATOM 600 CB LYS A 41 -4.801 4.840 -9.226 1.00 0.00 C ATOM 601 CG LYS A 41 -5.766 5.070 -10.433 1.00 0.00 C ATOM 602 CD LYS A 41 -4.957 5.459 -11.717 1.00 0.00 C ATOM 603 CE LYS A 41 -4.277 4.229 -12.378 1.00 0.00 C ATOM 604 NZ LYS A 41 -5.326 3.294 -12.912 1.00 0.00 N ATOM 0 H LYS A 41 -2.975 5.794 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.483 6.952 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.906 4.319 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.283 4.198 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.345 4.166 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.478 5.859 -10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.626 5.932 -12.436 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.197 6.195 -11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.622 4.555 -13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.652 3.712 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.895 2.648 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.731 2.743 -12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.078 3.844 -13.374 1.00 0.00 H new ATOM 618 N TYR A 42 -5.244 5.765 -6.298 1.00 0.00 N ATOM 619 CA TYR A 42 -6.131 6.017 -5.086 1.00 0.00 C ATOM 620 C TYR A 42 -5.398 6.790 -3.975 1.00 0.00 C ATOM 621 O TYR A 42 -5.690 6.625 -2.804 1.00 0.00 O ATOM 622 CB TYR A 42 -6.668 4.636 -4.455 1.00 0.00 C ATOM 623 CG TYR A 42 -6.000 3.473 -5.154 1.00 0.00 C ATOM 624 CD1 TYR A 42 -6.240 3.274 -6.493 1.00 0.00 C ATOM 625 CD2 TYR A 42 -5.113 2.650 -4.503 1.00 0.00 C ATOM 626 CE1 TYR A 42 -5.597 2.283 -7.181 1.00 0.00 C ATOM 627 CE2 TYR A 42 -4.476 1.653 -5.207 1.00 0.00 C ATOM 628 CZ TYR A 42 -4.710 1.474 -6.539 1.00 0.00 C ATOM 629 OH TYR A 42 -4.030 0.499 -7.234 1.00 0.00 O ATOM 0 H TYR A 42 -4.582 4.997 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 42 -6.965 6.616 -5.451 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.455 4.604 -3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.750 4.569 -4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.946 3.909 -7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.917 2.784 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.793 2.142 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.781 1.003 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.437 0.015 -6.622 1.00 0.00 H new ATOM 639 N GLY A 43 -4.478 7.617 -4.396 1.00 0.00 N ATOM 640 CA GLY A 43 -3.708 8.423 -3.417 1.00 0.00 C ATOM 641 C GLY A 43 -2.247 8.015 -3.348 1.00 0.00 C ATOM 642 O GLY A 43 -1.606 7.631 -4.312 1.00 0.00 O ATOM 0 H GLY A 43 -4.230 7.766 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.775 9.477 -3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.158 8.317 -2.430 1.00 0.00 H new ATOM 646 N ASN A 44 -1.794 8.132 -2.145 1.00 0.00 N ATOM 647 CA ASN A 44 -0.405 7.816 -1.754 1.00 0.00 C ATOM 648 C ASN A 44 -0.555 6.649 -0.815 1.00 0.00 C ATOM 649 O ASN A 44 -1.598 6.538 -0.208 1.00 0.00 O ATOM 650 CB ASN A 44 0.169 8.999 -1.024 1.00 0.00 C ATOM 651 CG ASN A 44 1.491 8.650 -0.366 1.00 0.00 C ATOM 652 OD1 ASN A 44 2.521 9.115 -0.803 1.00 0.00 O ATOM 653 ND2 ASN A 44 1.525 7.854 0.667 1.00 0.00 N ATOM 0 H ASN A 44 -2.369 8.455 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 44 0.251 7.592 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.314 9.824 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.538 9.341 -0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.417 7.624 1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.659 7.461 1.037 1.00 0.00 H new ATOM 660 N ALA A 45 0.474 5.860 -0.717 1.00 0.00 N ATOM 661 CA ALA A 45 0.491 4.659 0.169 1.00 0.00 C ATOM 662 C ALA A 45 1.621 3.737 -0.166 1.00 0.00 C ATOM 663 O ALA A 45 2.351 3.895 -1.125 1.00 0.00 O ATOM 664 CB ALA A 45 -0.764 3.829 0.057 1.00 0.00 C ATOM 0 H ALA A 45 1.341 6.002 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 45 0.590 5.067 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.693 2.970 0.724 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.627 4.434 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.880 3.482 -0.970 1.00 0.00 H new ATOM 670 N CYS A 46 1.706 2.752 0.671 1.00 0.00 N ATOM 671 CA CYS A 46 2.778 1.770 0.457 1.00 0.00 C ATOM 672 C CYS A 46 2.336 0.926 -0.715 1.00 0.00 C ATOM 673 O CYS A 46 1.198 0.508 -0.804 1.00 0.00 O ATOM 674 CB CYS A 46 2.930 0.950 1.695 1.00 0.00 C ATOM 675 SG CYS A 46 4.568 0.919 2.439 1.00 0.00 S ATOM 0 H CYS A 46 1.096 2.590 1.472 1.00 0.00 H new ATOM 0 HA CYS A 46 3.743 2.231 0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.224 1.320 2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.641 -0.075 1.463 1.00 0.00 H new ATOM 680 N TRP A 47 3.272 0.686 -1.569 1.00 0.00 N ATOM 681 CA TRP A 47 3.067 -0.116 -2.800 1.00 0.00 C ATOM 682 C TRP A 47 3.646 -1.466 -2.391 1.00 0.00 C ATOM 683 O TRP A 47 4.844 -1.644 -2.261 1.00 0.00 O ATOM 684 CB TRP A 47 3.866 0.590 -3.913 1.00 0.00 C ATOM 685 CG TRP A 47 3.490 0.212 -5.344 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.339 -0.367 -6.240 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.287 0.402 -5.947 1.00 0.00 C ATOM 688 NE1 TRP A 47 3.610 -0.495 -7.330 1.00 0.00 N ATOM 689 CE2 TRP A 47 2.365 -0.063 -7.253 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.105 0.958 -5.481 1.00 0.00 C ATOM 691 CZ2 TRP A 47 1.251 0.031 -8.098 1.00 0.00 C ATOM 692 CZ3 TRP A 47 -0.008 1.054 -6.312 1.00 0.00 C ATOM 693 CH2 TRP A 47 0.060 0.592 -7.621 1.00 0.00 C ATOM 0 H TRP A 47 4.226 1.031 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 47 2.048 -0.227 -3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.741 1.667 -3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.924 0.375 -3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.369 -0.654 -6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.986 -0.905 -8.185 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.047 1.320 -4.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.311 -0.328 -9.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.924 1.488 -5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.802 0.665 -8.267 1.00 0.00 H new ATOM 704 N CYS A 48 2.776 -2.408 -2.192 1.00 0.00 N ATOM 705 CA CYS A 48 3.293 -3.737 -1.783 1.00 0.00 C ATOM 706 C CYS A 48 3.336 -4.547 -3.057 1.00 0.00 C ATOM 707 O CYS A 48 2.375 -4.523 -3.812 1.00 0.00 O ATOM 708 CB CYS A 48 2.353 -4.311 -0.787 1.00 0.00 C ATOM 709 SG CYS A 48 2.160 -3.399 0.760 1.00 0.00 S ATOM 0 H CYS A 48 1.764 -2.324 -2.290 1.00 0.00 H new ATOM 0 HA CYS A 48 4.279 -3.709 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.373 -4.400 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.685 -5.321 -0.548 1.00 0.00 H new ATOM 714 N TYR A 49 4.456 -5.215 -3.196 1.00 0.00 N ATOM 715 CA TYR A 49 4.721 -6.067 -4.382 1.00 0.00 C ATOM 716 C TYR A 49 4.373 -7.488 -4.014 1.00 0.00 C ATOM 717 O TYR A 49 4.773 -8.007 -2.984 1.00 0.00 O ATOM 718 CB TYR A 49 6.202 -6.049 -4.762 1.00 0.00 C ATOM 719 CG TYR A 49 6.794 -4.665 -5.097 1.00 0.00 C ATOM 720 CD1 TYR A 49 6.345 -3.936 -6.171 1.00 0.00 C ATOM 721 CD2 TYR A 49 7.815 -4.143 -4.331 1.00 0.00 C ATOM 722 CE1 TYR A 49 6.914 -2.713 -6.463 1.00 0.00 C ATOM 723 CE2 TYR A 49 8.384 -2.929 -4.616 1.00 0.00 C ATOM 724 CZ TYR A 49 7.934 -2.206 -5.690 1.00 0.00 C ATOM 725 OH TYR A 49 8.488 -0.984 -6.020 1.00 0.00 O ATOM 0 H TYR A 49 5.214 -5.200 -2.513 1.00 0.00 H new ATOM 0 HA TYR A 49 4.132 -5.692 -5.219 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.774 -6.478 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.344 -6.702 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.546 -4.320 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.176 -4.706 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.554 -2.146 -7.309 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.182 -2.545 -3.998 1.00 0.00 H new ATOM 0 HH TYR A 49 7.810 -0.424 -6.452 1.00 0.00 H new ATOM 735 N ALA A 50 3.651 -8.095 -4.908 1.00 0.00 N ATOM 736 CA ALA A 50 3.210 -9.501 -4.703 1.00 0.00 C ATOM 737 C ALA A 50 2.690 -9.696 -3.280 1.00 0.00 C ATOM 738 O ALA A 50 3.131 -10.531 -2.510 1.00 0.00 O ATOM 739 CB ALA A 50 4.378 -10.418 -4.988 1.00 0.00 C ATOM 0 H ALA A 50 3.343 -7.673 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 50 2.392 -9.738 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.071 -11.454 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.707 -10.279 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.199 -10.184 -4.310 1.00 0.00 H new ATOM 745 N LEU A 51 1.740 -8.846 -3.021 1.00 0.00 N ATOM 746 CA LEU A 51 1.039 -8.817 -1.733 1.00 0.00 C ATOM 747 C LEU A 51 0.468 -10.253 -1.601 1.00 0.00 C ATOM 748 O LEU A 51 0.048 -10.785 -2.609 1.00 0.00 O ATOM 749 CB LEU A 51 -0.009 -7.703 -1.921 1.00 0.00 C ATOM 750 CG LEU A 51 -0.640 -7.256 -0.615 1.00 0.00 C ATOM 751 CD1 LEU A 51 -1.629 -8.248 -0.063 1.00 0.00 C ATOM 752 CD2 LEU A 51 0.404 -6.797 0.377 1.00 0.00 C ATOM 0 H LEU A 51 1.415 -8.144 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 51 1.604 -8.597 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.462 -6.846 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.791 -8.057 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.248 -6.378 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.043 -7.868 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.434 -8.398 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.127 -9.197 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.084 -6.484 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.090 -7.617 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.960 -5.958 -0.042 1.00 0.00 H new ATOM 764 N PRO A 52 0.419 -10.867 -0.438 1.00 0.00 N ATOM 765 CA PRO A 52 -0.079 -12.282 -0.236 1.00 0.00 C ATOM 766 C PRO A 52 -1.534 -12.623 -0.606 1.00 0.00 C ATOM 767 O PRO A 52 -2.131 -13.600 -0.199 1.00 0.00 O ATOM 768 CB PRO A 52 0.235 -12.572 1.246 1.00 0.00 C ATOM 769 CG PRO A 52 0.304 -11.155 1.885 1.00 0.00 C ATOM 770 CD PRO A 52 0.860 -10.246 0.822 1.00 0.00 C ATOM 0 HA PRO A 52 0.427 -12.926 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.540 -13.184 1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.176 -13.110 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.684 -10.823 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.941 -11.157 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.476 -9.231 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.947 -10.183 0.878 1.00 0.00 H new ATOM 778 N ASP A 53 -2.022 -11.722 -1.383 1.00 0.00 N ATOM 779 CA ASP A 53 -3.387 -11.633 -2.005 1.00 0.00 C ATOM 780 C ASP A 53 -4.566 -11.497 -1.061 1.00 0.00 C ATOM 781 O ASP A 53 -5.662 -11.136 -1.463 1.00 0.00 O ATOM 782 CB ASP A 53 -3.643 -12.863 -2.924 1.00 0.00 C ATOM 783 CG ASP A 53 -3.519 -12.526 -4.420 1.00 0.00 C ATOM 784 OD1 ASP A 53 -3.238 -11.406 -4.816 1.00 0.00 O ATOM 785 OD2 ASP A 53 -3.705 -13.458 -5.176 1.00 0.00 O ATOM 0 H ASP A 53 -1.450 -10.923 -1.656 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.346 -10.694 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.933 -13.652 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.640 -13.257 -2.726 1.00 0.00 H new ATOM 790 N ASN A 54 -4.297 -11.790 0.170 1.00 0.00 N ATOM 791 CA ASN A 54 -5.354 -11.705 1.206 1.00 0.00 C ATOM 792 C ASN A 54 -5.635 -10.291 1.758 1.00 0.00 C ATOM 793 O ASN A 54 -6.622 -10.113 2.445 1.00 0.00 O ATOM 794 CB ASN A 54 -4.931 -12.647 2.287 1.00 0.00 C ATOM 795 CG ASN A 54 -6.080 -12.886 3.255 1.00 0.00 C ATOM 796 OD1 ASN A 54 -7.122 -13.380 2.887 1.00 0.00 O ATOM 797 ND2 ASN A 54 -5.953 -12.555 4.504 1.00 0.00 N ATOM 0 H ASN A 54 -3.382 -12.088 0.509 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.310 -11.974 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.611 -13.593 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.074 -12.237 2.822 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.723 -12.713 5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.083 -12.137 4.835 1.00 0.00 H new ATOM 804 N VAL A 55 -4.801 -9.312 1.471 1.00 0.00 N ATOM 805 CA VAL A 55 -5.079 -7.937 2.016 1.00 0.00 C ATOM 806 C VAL A 55 -5.783 -7.080 0.962 1.00 0.00 C ATOM 807 O VAL A 55 -5.176 -6.731 -0.032 1.00 0.00 O ATOM 808 CB VAL A 55 -3.808 -7.165 2.373 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.228 -5.960 3.187 1.00 0.00 C ATOM 810 CG2 VAL A 55 -2.912 -8.067 3.187 1.00 0.00 C ATOM 0 H VAL A 55 -3.961 -9.400 0.899 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.685 -8.102 2.907 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.265 -6.842 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.346 -5.381 3.462 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.900 -5.338 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.741 -6.292 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.000 -7.532 3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.431 -8.370 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.658 -8.951 2.602 1.00 0.00 H new ATOM 820 N PRO A 56 -7.029 -6.744 1.184 1.00 0.00 N ATOM 821 CA PRO A 56 -7.838 -6.091 0.145 1.00 0.00 C ATOM 822 C PRO A 56 -7.417 -4.621 -0.028 1.00 0.00 C ATOM 823 O PRO A 56 -8.038 -3.717 0.497 1.00 0.00 O ATOM 824 CB PRO A 56 -9.280 -6.311 0.624 1.00 0.00 C ATOM 825 CG PRO A 56 -9.201 -6.541 2.166 1.00 0.00 C ATOM 826 CD PRO A 56 -7.761 -6.976 2.464 1.00 0.00 C ATOM 0 HA PRO A 56 -7.710 -6.498 -0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.903 -5.447 0.391 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.728 -7.170 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.452 -5.629 2.708 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.911 -7.305 2.482 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.331 -6.393 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.716 -8.023 2.763 1.00 0.00 H new ATOM 834 N ILE A 57 -6.337 -4.516 -0.779 1.00 0.00 N ATOM 835 CA ILE A 57 -5.642 -3.238 -1.167 1.00 0.00 C ATOM 836 C ILE A 57 -6.713 -2.304 -1.762 1.00 0.00 C ATOM 837 O ILE A 57 -7.880 -2.644 -1.836 1.00 0.00 O ATOM 838 CB ILE A 57 -4.498 -3.527 -2.259 1.00 0.00 C ATOM 839 CG1 ILE A 57 -5.130 -3.742 -3.638 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.583 -4.682 -1.910 1.00 0.00 C ATOM 841 CD1 ILE A 57 -6.148 -4.852 -3.651 1.00 0.00 C ATOM 0 H ILE A 57 -5.876 -5.338 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.164 -2.784 -0.299 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.862 -2.642 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.605 -2.816 -3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.345 -3.967 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.841 -4.809 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.078 -4.474 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.170 -5.595 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.560 -4.956 -4.655 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.671 -5.787 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.951 -4.618 -2.952 1.00 0.00 H new ATOM 853 N ARG A 58 -6.317 -1.142 -2.187 1.00 0.00 N ATOM 854 CA ARG A 58 -7.366 -0.236 -2.753 1.00 0.00 C ATOM 855 C ARG A 58 -7.380 -0.024 -4.260 1.00 0.00 C ATOM 856 O ARG A 58 -6.484 -0.380 -4.996 1.00 0.00 O ATOM 857 CB ARG A 58 -7.219 1.074 -1.929 1.00 0.00 C ATOM 858 CG ARG A 58 -8.425 1.200 -0.911 1.00 0.00 C ATOM 859 CD ARG A 58 -8.717 -0.148 -0.131 1.00 0.00 C ATOM 860 NE ARG A 58 -8.465 0.012 1.335 1.00 0.00 N ATOM 861 CZ ARG A 58 -9.114 -0.694 2.217 1.00 0.00 C ATOM 862 NH1 ARG A 58 -9.423 -1.932 1.933 1.00 0.00 N ATOM 863 NH2 ARG A 58 -9.401 -0.116 3.350 1.00 0.00 N ATOM 0 H ARG A 58 -5.362 -0.785 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.345 -0.705 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.273 1.071 -1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.202 1.935 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.206 1.990 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.321 1.502 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.752 -0.449 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.087 -0.944 -0.527 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.770 0.688 1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.156 -2.331 1.033 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.931 -2.499 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.118 0.850 3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.908 -0.630 4.071 1.00 0.00 H new ATOM 877 N VAL A 59 -8.478 0.572 -4.633 1.00 0.00 N ATOM 878 CA VAL A 59 -8.796 0.895 -6.048 1.00 0.00 C ATOM 879 C VAL A 59 -9.150 2.382 -6.204 1.00 0.00 C ATOM 880 O VAL A 59 -9.207 3.082 -5.217 1.00 0.00 O ATOM 881 CB VAL A 59 -9.949 -0.086 -6.397 1.00 0.00 C ATOM 882 CG1 VAL A 59 -9.492 -1.500 -6.110 1.00 0.00 C ATOM 883 CG2 VAL A 59 -11.151 0.188 -5.521 1.00 0.00 C ATOM 0 H VAL A 59 -9.203 0.862 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.961 0.764 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.212 0.043 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.294 -2.198 -6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.616 -1.730 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.236 -1.593 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.952 -0.506 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.876 0.057 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.492 1.211 -5.681 1.00 0.00 H new ATOM 893 N PRO A 60 -9.378 2.836 -7.416 1.00 0.00 N ATOM 894 CA PRO A 60 -9.662 4.272 -7.685 1.00 0.00 C ATOM 895 C PRO A 60 -11.046 4.687 -7.162 1.00 0.00 C ATOM 896 O PRO A 60 -11.823 3.878 -6.694 1.00 0.00 O ATOM 897 CB PRO A 60 -9.554 4.440 -9.212 1.00 0.00 C ATOM 898 CG PRO A 60 -8.995 3.078 -9.739 1.00 0.00 C ATOM 899 CD PRO A 60 -9.374 2.032 -8.664 1.00 0.00 C ATOM 0 HA PRO A 60 -8.955 4.919 -7.165 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -10.526 4.663 -9.653 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.890 5.264 -9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.430 2.823 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.915 3.124 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.348 1.584 -8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.651 1.217 -8.619 1.00 0.00 H new ATOM 907 N GLY A 61 -11.309 5.964 -7.271 1.00 0.00 N ATOM 908 CA GLY A 61 -12.610 6.533 -6.813 1.00 0.00 C ATOM 909 C GLY A 61 -12.365 7.605 -5.768 1.00 0.00 C ATOM 910 O GLY A 61 -12.283 8.777 -6.090 1.00 0.00 O ATOM 0 H GLY A 61 -10.664 6.648 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.151 6.955 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.236 5.744 -6.397 1.00 0.00 H new ATOM 914 N LYS A 62 -12.261 7.178 -4.538 1.00 0.00 N ATOM 915 CA LYS A 62 -12.018 8.112 -3.386 1.00 0.00 C ATOM 916 C LYS A 62 -11.888 7.386 -2.035 1.00 0.00 C ATOM 917 O LYS A 62 -12.850 6.812 -1.558 1.00 0.00 O ATOM 918 CB LYS A 62 -13.179 9.099 -3.273 1.00 0.00 C ATOM 919 CG LYS A 62 -12.744 10.419 -2.561 1.00 0.00 C ATOM 920 CD LYS A 62 -13.475 11.660 -3.150 1.00 0.00 C ATOM 921 CE LYS A 62 -12.975 11.996 -4.589 1.00 0.00 C ATOM 922 NZ LYS A 62 -13.559 11.055 -5.584 1.00 0.00 N ATOM 0 H LYS A 62 -12.336 6.196 -4.271 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.074 8.616 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.559 9.330 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.996 8.638 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.956 10.344 -1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.667 10.549 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.549 11.473 -3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.315 12.520 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.250 13.019 -4.845 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.887 11.940 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.690 11.546 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.917 10.248 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.479 10.712 -5.240 1.00 0.00 H new ATOM 936 N CYS A 63 -10.713 7.457 -1.471 1.00 0.00 N ATOM 937 CA CYS A 63 -10.448 6.808 -0.154 1.00 0.00 C ATOM 938 C CYS A 63 -11.391 7.496 0.869 1.00 0.00 C ATOM 939 O CYS A 63 -11.783 8.629 0.644 1.00 0.00 O ATOM 940 CB CYS A 63 -8.987 7.078 0.225 1.00 0.00 C ATOM 941 SG CYS A 63 -8.674 7.640 1.917 1.00 0.00 S ATOM 0 H CYS A 63 -9.913 7.945 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.619 5.732 -0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.418 6.163 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -8.591 7.827 -0.461 1.00 0.00 H new ATOM 946 N HIS A 64 -11.764 6.854 1.952 1.00 0.00 N ATOM 947 CA HIS A 64 -12.664 7.542 2.931 1.00 0.00 C ATOM 948 C HIS A 64 -12.553 6.799 4.288 1.00 0.00 C ATOM 949 O HIS A 64 -13.570 6.553 4.924 1.00 0.00 O ATOM 950 CB HIS A 64 -14.113 7.520 2.380 1.00 0.00 C ATOM 951 CG HIS A 64 -14.473 6.080 2.037 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.571 5.128 2.917 1.00 0.00 N ATOM 953 CD2 HIS A 64 -14.752 5.503 0.810 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.888 4.003 2.351 1.00 0.00 C ATOM 955 NE2 HIS A 64 -14.995 4.242 1.073 1.00 0.00 N ATOM 956 OXT HIS A 64 -11.411 6.513 4.612 1.00 0.00 O ATOM 0 H HIS A 64 -11.490 5.902 2.197 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.378 8.583 3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -14.807 7.919 3.120 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.192 8.152 1.496 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -14.419 5.249 3.918 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.766 5.987 -0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -15.035 3.053 2.843 1.00 0.00 H new TER 965 HIS A 64