USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 372 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 8 TYR OH : rot -97:sc= -0.51 USER MOD Set 1.2: A 11 TYR OH : rot -30:sc= -1.03 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0.928 (180deg=0.856) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.6) USER MOD Single : A 14 SER OG : rot 180:sc= -0.183 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 21 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.2!) USER MOD Single : A 23 ASN : amide:sc= 0.473 K(o=0.47,f=-4.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.48) USER MOD Single : A 46 GLN : amide:sc= -2.32! K(o=-2.3!,f=-0.92) USER MOD Single : A 51 TYR OH : rot 13:sc= -0.748 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.356 5.557 -6.457 1.00 0.00 N ATOM 63 CA LYS A 5 8.352 5.553 -7.915 1.00 0.00 C ATOM 64 C LYS A 5 6.942 5.340 -8.455 1.00 0.00 C ATOM 65 O LYS A 5 6.158 4.577 -7.889 1.00 0.00 O ATOM 66 CB LYS A 5 9.284 4.461 -8.445 1.00 0.00 C ATOM 67 CG LYS A 5 10.758 4.784 -8.275 1.00 0.00 C ATOM 68 CD LYS A 5 11.620 3.974 -9.229 1.00 0.00 C ATOM 69 CE LYS A 5 12.743 3.258 -8.494 1.00 0.00 C ATOM 70 NZ LYS A 5 13.711 2.631 -9.436 1.00 0.00 N ATOM 0 HA LYS A 5 8.709 6.524 -8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.064 3.526 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.076 4.299 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.921 5.847 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.060 4.580 -7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.001 3.244 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.042 4.633 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.267 3.967 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.321 2.492 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.432 2.110 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.207 1.974 -10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.171 3.371 -10.005 1.00 0.00 H new ATOM 84 N LYS A 6 6.625 6.016 -9.554 1.00 0.00 N ATOM 85 CA LYS A 6 5.310 5.899 -10.173 1.00 0.00 C ATOM 86 C LYS A 6 5.435 5.590 -11.661 1.00 0.00 C ATOM 87 O LYS A 6 6.309 6.123 -12.345 1.00 0.00 O ATOM 88 CB LYS A 6 4.513 7.190 -9.974 1.00 0.00 C ATOM 89 CG LYS A 6 3.067 6.957 -9.574 1.00 0.00 C ATOM 90 CD LYS A 6 2.335 6.108 -10.599 1.00 0.00 C ATOM 91 CE LYS A 6 0.844 6.409 -10.611 1.00 0.00 C ATOM 92 NZ LYS A 6 0.030 5.177 -10.806 1.00 0.00 N ATOM 0 H LYS A 6 7.262 6.651 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 6 4.782 5.076 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.000 7.793 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.537 7.768 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.032 6.466 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.560 7.916 -9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.752 6.291 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.492 5.052 -10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.562 6.885 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.624 7.120 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.980 5.425 -10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.280 4.736 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.221 4.509 -10.032 1.00 0.00 H new ATOM 106 N VAL A 7 4.555 4.726 -12.157 1.00 0.00 N ATOM 107 CA VAL A 7 4.565 4.348 -13.565 1.00 0.00 C ATOM 108 C VAL A 7 3.924 5.428 -14.429 1.00 0.00 C ATOM 109 O VAL A 7 2.899 6.004 -14.063 1.00 0.00 O ATOM 110 CB VAL A 7 3.825 3.017 -13.794 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.421 3.079 -13.212 1.00 0.00 C ATOM 112 CG2 VAL A 7 3.781 2.680 -15.277 1.00 0.00 C ATOM 0 H VAL A 7 3.826 4.275 -11.604 1.00 0.00 H new ATOM 0 HA VAL A 7 5.610 4.229 -13.853 1.00 0.00 H new ATOM 0 HB VAL A 7 4.371 2.225 -13.281 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.914 2.130 -13.384 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.479 3.271 -12.141 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.862 3.881 -13.694 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.254 1.736 -15.420 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.259 3.472 -15.815 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.798 2.590 -15.660 1.00 0.00 H new ATOM 122 N TYR A 8 4.534 5.699 -15.578 1.00 0.00 N ATOM 123 CA TYR A 8 4.024 6.712 -16.494 1.00 0.00 C ATOM 124 C TYR A 8 2.818 6.189 -17.268 1.00 0.00 C ATOM 125 O TYR A 8 2.781 5.026 -17.667 1.00 0.00 O ATOM 126 CB TYR A 8 5.120 7.147 -17.468 1.00 0.00 C ATOM 127 CG TYR A 8 5.155 8.638 -17.714 1.00 0.00 C ATOM 128 CD1 TYR A 8 4.085 9.288 -18.316 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.259 9.397 -17.344 1.00 0.00 C ATOM 130 CE1 TYR A 8 4.113 10.651 -18.543 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.295 10.760 -17.567 1.00 0.00 C ATOM 132 CZ TYR A 8 5.220 11.382 -18.167 1.00 0.00 C ATOM 133 OH TYR A 8 5.252 12.740 -18.390 1.00 0.00 O ATOM 0 H TYR A 8 5.382 5.231 -15.897 1.00 0.00 H new ATOM 0 HA TYR A 8 3.709 7.573 -15.904 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.087 6.829 -17.079 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.974 6.634 -18.419 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.216 8.718 -18.612 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.103 8.913 -16.874 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.273 11.141 -19.012 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.160 11.335 -17.273 1.00 0.00 H new ATOM 0 HH TYR A 8 5.737 12.924 -19.222 1.00 0.00 H new ATOM 143 N GLU A 9 1.834 7.059 -17.475 1.00 0.00 N ATOM 144 CA GLU A 9 0.626 6.685 -18.201 1.00 0.00 C ATOM 145 C GLU A 9 0.969 5.878 -19.450 1.00 0.00 C ATOM 146 O GLU A 9 0.429 4.795 -19.670 1.00 0.00 O ATOM 147 CB GLU A 9 -0.169 7.933 -18.590 1.00 0.00 C ATOM 148 CG GLU A 9 -0.807 8.642 -17.407 1.00 0.00 C ATOM 149 CD GLU A 9 -2.112 9.323 -17.769 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.065 10.416 -18.371 1.00 0.00 O ATOM 151 OE2 GLU A 9 -3.182 8.762 -17.451 1.00 0.00 O ATOM 0 H GLU A 9 1.850 8.026 -17.151 1.00 0.00 H new ATOM 0 HA GLU A 9 0.016 6.064 -17.544 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.493 8.629 -19.106 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.949 7.651 -19.297 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.987 7.921 -16.610 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.111 9.384 -17.015 1.00 0.00 H new ATOM 158 N ASN A 10 1.871 6.415 -20.265 1.00 0.00 N ATOM 159 CA ASN A 10 2.286 5.747 -21.493 1.00 0.00 C ATOM 160 C ASN A 10 3.329 6.575 -22.238 1.00 0.00 C ATOM 161 O ASN A 10 3.029 7.653 -22.751 1.00 0.00 O ATOM 162 CB ASN A 10 1.077 5.496 -22.396 1.00 0.00 C ATOM 163 CG ASN A 10 0.138 6.686 -22.447 1.00 0.00 C ATOM 164 OD1 ASN A 10 0.360 7.634 -23.200 1.00 0.00 O ATOM 165 ND2 ASN A 10 -0.919 6.640 -21.644 1.00 0.00 N ATOM 0 H ASN A 10 2.329 7.311 -20.097 1.00 0.00 H new ATOM 0 HA ASN A 10 2.733 4.791 -21.223 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.421 5.265 -23.404 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.533 4.622 -22.036 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.587 7.411 -21.635 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.063 5.834 -21.036 1.00 0.00 H new ATOM 172 N TYR A 11 4.553 6.064 -22.293 1.00 0.00 N ATOM 173 CA TYR A 11 5.641 6.757 -22.973 1.00 0.00 C ATOM 174 C TYR A 11 6.255 5.876 -24.057 1.00 0.00 C ATOM 175 O TYR A 11 6.138 4.650 -24.037 1.00 0.00 O ATOM 176 CB TYR A 11 6.717 7.173 -21.969 1.00 0.00 C ATOM 177 CG TYR A 11 6.762 8.662 -21.712 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.593 9.399 -21.574 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.975 9.332 -21.606 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.630 10.760 -21.340 1.00 0.00 C ATOM 181 CE2 TYR A 11 8.021 10.692 -21.371 1.00 0.00 C ATOM 182 CZ TYR A 11 6.846 11.402 -21.239 1.00 0.00 C ATOM 183 OH TYR A 11 6.887 12.757 -21.004 1.00 0.00 O ATOM 0 H TYR A 11 4.817 5.172 -21.875 1.00 0.00 H new ATOM 0 HA TYR A 11 5.230 7.649 -23.444 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.542 6.655 -21.026 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.690 6.847 -22.336 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.639 8.900 -21.651 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.897 8.780 -21.709 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.711 11.318 -21.237 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.972 11.197 -21.291 1.00 0.00 H new ATOM 0 HH TYR A 11 6.094 13.181 -21.393 1.00 0.00 H new ATOM 193 N PRO A 12 6.926 6.514 -25.027 1.00 0.00 N ATOM 194 CA PRO A 12 7.573 5.809 -26.138 1.00 0.00 C ATOM 195 C PRO A 12 8.791 5.010 -25.686 1.00 0.00 C ATOM 196 O PRO A 12 9.682 5.540 -25.022 1.00 0.00 O ATOM 197 CB PRO A 12 7.994 6.940 -27.079 1.00 0.00 C ATOM 198 CG PRO A 12 8.136 8.133 -26.197 1.00 0.00 C ATOM 199 CD PRO A 12 7.105 7.973 -25.115 1.00 0.00 C ATOM 0 HA PRO A 12 6.909 5.078 -26.599 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.932 6.707 -27.584 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.247 7.108 -27.855 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.139 8.189 -25.775 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.974 9.054 -26.757 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.447 8.394 -24.169 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.173 8.477 -25.370 1.00 0.00 H new ATOM 207 N VAL A 13 8.824 3.732 -26.051 1.00 0.00 N ATOM 208 CA VAL A 13 9.934 2.861 -25.684 1.00 0.00 C ATOM 209 C VAL A 13 11.217 3.276 -26.395 1.00 0.00 C ATOM 210 O VAL A 13 12.318 3.029 -25.905 1.00 0.00 O ATOM 211 CB VAL A 13 9.626 1.389 -26.020 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.863 0.527 -25.822 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.470 0.880 -25.173 1.00 0.00 C ATOM 0 H VAL A 13 8.095 3.277 -26.600 1.00 0.00 H new ATOM 0 HA VAL A 13 10.072 2.959 -24.607 1.00 0.00 H new ATOM 0 HB VAL A 13 9.333 1.327 -27.068 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.627 -0.509 -26.064 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.661 0.880 -26.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.189 0.592 -24.784 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.266 -0.161 -25.424 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.732 0.955 -24.118 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.582 1.481 -25.370 1.00 0.00 H new ATOM 223 N SER A 14 11.066 3.908 -27.555 1.00 0.00 N ATOM 224 CA SER A 14 12.213 4.355 -28.337 1.00 0.00 C ATOM 225 C SER A 14 13.039 5.373 -27.556 1.00 0.00 C ATOM 226 O SER A 14 14.262 5.261 -27.467 1.00 0.00 O ATOM 227 CB SER A 14 11.748 4.966 -29.660 1.00 0.00 C ATOM 228 OG SER A 14 11.038 6.173 -29.443 1.00 0.00 O ATOM 0 H SER A 14 10.161 4.122 -27.974 1.00 0.00 H new ATOM 0 HA SER A 14 12.840 3.488 -28.546 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.610 5.158 -30.299 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.112 4.256 -30.188 1.00 0.00 H new ATOM 0 HG SER A 14 10.753 6.544 -30.304 1.00 0.00 H new ATOM 234 N LYS A 15 12.361 6.367 -26.991 1.00 0.00 N ATOM 235 CA LYS A 15 13.030 7.405 -26.216 1.00 0.00 C ATOM 236 C LYS A 15 13.537 6.852 -24.889 1.00 0.00 C ATOM 237 O LYS A 15 14.518 7.347 -24.332 1.00 0.00 O ATOM 238 CB LYS A 15 12.075 8.574 -25.962 1.00 0.00 C ATOM 239 CG LYS A 15 11.886 9.479 -27.168 1.00 0.00 C ATOM 240 CD LYS A 15 10.926 10.617 -26.866 1.00 0.00 C ATOM 241 CE LYS A 15 9.867 10.754 -27.949 1.00 0.00 C ATOM 242 NZ LYS A 15 8.885 11.828 -27.631 1.00 0.00 N ATOM 0 H LYS A 15 11.349 6.475 -27.056 1.00 0.00 H new ATOM 0 HA LYS A 15 13.885 7.760 -26.792 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.105 8.180 -25.658 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.453 9.167 -25.129 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.850 9.886 -27.473 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.507 8.895 -28.007 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.444 10.442 -25.904 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.482 11.550 -26.779 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.348 10.972 -28.902 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.343 9.806 -28.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.180 11.890 -28.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.407 11.607 -26.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.382 12.738 -27.544 1.00 0.00 H new ATOM 256 N CYS A 16 12.865 5.821 -24.387 1.00 0.00 N ATOM 257 CA CYS A 16 13.248 5.199 -23.125 1.00 0.00 C ATOM 258 C CYS A 16 14.679 4.672 -23.191 1.00 0.00 C ATOM 259 O CYS A 16 15.351 4.545 -22.167 1.00 0.00 O ATOM 260 CB CYS A 16 12.288 4.058 -22.783 1.00 0.00 C ATOM 261 SG CYS A 16 11.626 4.128 -21.087 1.00 0.00 S ATOM 0 H CYS A 16 12.052 5.399 -24.835 1.00 0.00 H new ATOM 0 HA CYS A 16 13.194 5.957 -22.344 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.456 4.074 -23.487 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.805 3.108 -22.921 1.00 0.00 H new ATOM 266 N GLN A 17 15.137 4.369 -24.401 1.00 0.00 N ATOM 267 CA GLN A 17 16.487 3.856 -24.599 1.00 0.00 C ATOM 268 C GLN A 17 17.522 4.797 -23.992 1.00 0.00 C ATOM 269 O GLN A 17 18.633 4.383 -23.657 1.00 0.00 O ATOM 270 CB GLN A 17 16.768 3.663 -26.091 1.00 0.00 C ATOM 271 CG GLN A 17 16.354 2.298 -26.616 1.00 0.00 C ATOM 272 CD GLN A 17 17.288 1.779 -27.692 1.00 0.00 C ATOM 273 OE1 GLN A 17 17.080 2.022 -28.881 1.00 0.00 O ATOM 274 NE2 GLN A 17 18.325 1.059 -27.279 1.00 0.00 N ATOM 0 H GLN A 17 14.594 4.470 -25.258 1.00 0.00 H new ATOM 0 HA GLN A 17 16.560 2.892 -24.095 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.242 4.434 -26.654 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.833 3.805 -26.273 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.328 1.588 -25.790 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.342 2.359 -27.017 1.00 0.00 H new ATOM 0 HE21 GLN A 17 18.459 0.882 -26.283 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.987 0.683 -27.957 1.00 0.00 H new ATOM 283 N LEU A 18 17.152 6.065 -23.854 1.00 0.00 N ATOM 284 CA LEU A 18 18.048 7.067 -23.287 1.00 0.00 C ATOM 285 C LEU A 18 17.606 7.461 -21.882 1.00 0.00 C ATOM 286 O LEU A 18 16.548 8.062 -21.699 1.00 0.00 O ATOM 287 CB LEU A 18 18.095 8.305 -24.185 1.00 0.00 C ATOM 288 CG LEU A 18 18.419 8.054 -25.658 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.375 9.355 -26.444 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.781 7.389 -25.799 1.00 0.00 C ATOM 0 H LEU A 18 16.237 6.424 -24.127 1.00 0.00 H new ATOM 0 HA LEU A 18 19.046 6.632 -23.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.130 8.808 -24.127 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.838 8.993 -23.782 1.00 0.00 H new ATOM 0 HG LEU A 18 17.665 7.382 -26.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.608 9.156 -27.490 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.379 9.791 -26.371 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.107 10.052 -26.035 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.995 7.218 -26.854 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.548 8.036 -25.374 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.777 6.436 -25.270 1.00 0.00 H new ATOM 302 N ALA A 19 18.424 7.119 -20.892 1.00 0.00 N ATOM 303 CA ALA A 19 18.120 7.441 -19.503 1.00 0.00 C ATOM 304 C ALA A 19 17.948 8.944 -19.313 1.00 0.00 C ATOM 305 O ALA A 19 17.191 9.387 -18.450 1.00 0.00 O ATOM 306 CB ALA A 19 19.213 6.912 -18.587 1.00 0.00 C ATOM 0 H ALA A 19 19.303 6.619 -21.026 1.00 0.00 H new ATOM 0 HA ALA A 19 17.178 6.959 -19.242 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.973 7.160 -17.553 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.285 5.830 -18.694 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.166 7.367 -18.857 1.00 0.00 H new ATOM 312 N ASN A 20 18.657 9.723 -20.123 1.00 0.00 N ATOM 313 CA ASN A 20 18.584 11.178 -20.042 1.00 0.00 C ATOM 314 C ASN A 20 17.224 11.681 -20.516 1.00 0.00 C ATOM 315 O ASN A 20 16.817 12.795 -20.189 1.00 0.00 O ATOM 316 CB ASN A 20 19.696 11.812 -20.880 1.00 0.00 C ATOM 317 CG ASN A 20 20.978 11.004 -20.847 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.446 10.519 -21.877 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.553 10.855 -19.659 1.00 0.00 N ATOM 0 H ASN A 20 19.289 9.372 -20.843 1.00 0.00 H new ATOM 0 HA ASN A 20 18.715 11.467 -18.999 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.358 11.910 -21.912 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.895 12.819 -20.512 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.418 10.321 -19.574 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.130 11.275 -18.831 1.00 0.00 H new ATOM 326 N GLN A 21 16.528 10.851 -21.286 1.00 0.00 N ATOM 327 CA GLN A 21 15.214 11.213 -21.804 1.00 0.00 C ATOM 328 C GLN A 21 14.130 10.969 -20.759 1.00 0.00 C ATOM 329 O GLN A 21 13.435 11.896 -20.342 1.00 0.00 O ATOM 330 CB GLN A 21 14.905 10.415 -23.072 1.00 0.00 C ATOM 331 CG GLN A 21 15.286 11.137 -24.354 1.00 0.00 C ATOM 332 CD GLN A 21 14.133 11.924 -24.945 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.652 11.617 -26.037 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.682 12.945 -24.226 1.00 0.00 N ATOM 0 H GLN A 21 16.851 9.925 -21.565 1.00 0.00 H new ATOM 0 HA GLN A 21 15.227 12.276 -22.046 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.434 9.463 -23.030 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.840 10.186 -23.097 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.117 11.813 -24.153 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.637 10.409 -25.086 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.110 13.164 -23.326 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.907 13.511 -24.573 1.00 0.00 H new ATOM 343 N CYS A 22 13.991 9.716 -20.340 1.00 0.00 N ATOM 344 CA CYS A 22 12.992 9.349 -19.344 1.00 0.00 C ATOM 345 C CYS A 22 13.085 10.255 -18.120 1.00 0.00 C ATOM 346 O CYS A 22 12.072 10.735 -17.611 1.00 0.00 O ATOM 347 CB CYS A 22 13.171 7.888 -18.925 1.00 0.00 C ATOM 348 SG CYS A 22 11.628 7.067 -18.413 1.00 0.00 S ATOM 0 H CYS A 22 14.558 8.937 -20.675 1.00 0.00 H new ATOM 0 HA CYS A 22 12.006 9.473 -19.792 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.606 7.334 -19.756 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.885 7.842 -18.102 1.00 0.00 H new ATOM 353 N ASN A 23 14.308 10.486 -17.653 1.00 0.00 N ATOM 354 CA ASN A 23 14.534 11.335 -16.489 1.00 0.00 C ATOM 355 C ASN A 23 14.140 12.779 -16.784 1.00 0.00 C ATOM 356 O ASN A 23 13.289 13.353 -16.105 1.00 0.00 O ATOM 357 CB ASN A 23 16.002 11.272 -16.063 1.00 0.00 C ATOM 358 CG ASN A 23 16.225 11.832 -14.671 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.143 11.109 -13.678 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.508 13.127 -14.593 1.00 0.00 N ATOM 0 H ASN A 23 15.157 10.097 -18.063 1.00 0.00 H new ATOM 0 HA ASN A 23 13.910 10.966 -15.675 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.342 10.237 -16.094 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.609 11.829 -16.777 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.667 13.560 -13.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.566 13.688 -15.443 1.00 0.00 H new ATOM 367 N TYR A 24 14.766 13.360 -17.802 1.00 0.00 N ATOM 368 CA TYR A 24 14.483 14.738 -18.187 1.00 0.00 C ATOM 369 C TYR A 24 12.984 14.956 -18.369 1.00 0.00 C ATOM 370 O TYR A 24 12.423 15.934 -17.874 1.00 0.00 O ATOM 371 CB TYR A 24 15.221 15.091 -19.479 1.00 0.00 C ATOM 372 CG TYR A 24 14.996 16.514 -19.936 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.397 17.588 -19.152 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.382 16.785 -21.153 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.192 18.891 -19.566 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.175 18.083 -21.576 1.00 0.00 C ATOM 377 CZ TYR A 24 14.581 19.133 -20.778 1.00 0.00 C ATOM 378 OH TYR A 24 14.377 20.428 -21.194 1.00 0.00 O ATOM 0 H TYR A 24 15.472 12.898 -18.375 1.00 0.00 H new ATOM 0 HA TYR A 24 14.833 15.391 -17.387 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.289 14.930 -19.333 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.901 14.410 -20.268 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.877 17.402 -18.203 1.00 0.00 H new ATOM 0 HD2 TYR A 24 14.061 15.966 -21.779 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.509 19.715 -18.943 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.698 18.275 -22.526 1.00 0.00 H new ATOM 0 HH TYR A 24 13.936 20.425 -22.069 1.00 0.00 H new ATOM 388 N ASP A 25 12.342 14.037 -19.082 1.00 0.00 N ATOM 389 CA ASP A 25 10.907 14.127 -19.329 1.00 0.00 C ATOM 390 C ASP A 25 10.121 13.947 -18.034 1.00 0.00 C ATOM 391 O ASP A 25 9.189 14.701 -17.751 1.00 0.00 O ATOM 392 CB ASP A 25 10.478 13.073 -20.351 1.00 0.00 C ATOM 393 CG ASP A 25 9.509 13.625 -21.379 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.777 14.581 -21.050 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.483 13.100 -22.512 1.00 0.00 O ATOM 0 H ASP A 25 12.792 13.222 -19.499 1.00 0.00 H new ATOM 0 HA ASP A 25 10.693 15.118 -19.728 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.360 12.684 -20.859 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.014 12.235 -19.831 1.00 0.00 H new ATOM 400 N CYS A 26 10.501 12.943 -17.251 1.00 0.00 N ATOM 401 CA CYS A 26 9.831 12.662 -15.987 1.00 0.00 C ATOM 402 C CYS A 26 9.901 13.868 -15.055 1.00 0.00 C ATOM 403 O CYS A 26 8.911 14.238 -14.424 1.00 0.00 O ATOM 404 CB CYS A 26 10.462 11.443 -15.311 1.00 0.00 C ATOM 405 SG CYS A 26 9.917 11.181 -13.593 1.00 0.00 S ATOM 0 H CYS A 26 11.270 12.310 -17.470 1.00 0.00 H new ATOM 0 HA CYS A 26 8.783 12.449 -16.199 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.226 10.554 -15.895 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.546 11.554 -15.324 1.00 0.00 H new ATOM 410 N LYS A 27 11.079 14.477 -14.973 1.00 0.00 N ATOM 411 CA LYS A 27 11.280 15.643 -14.119 1.00 0.00 C ATOM 412 C LYS A 27 10.743 16.905 -14.786 1.00 0.00 C ATOM 413 O LYS A 27 10.799 17.994 -14.213 1.00 0.00 O ATOM 414 CB LYS A 27 12.767 15.815 -13.799 1.00 0.00 C ATOM 415 CG LYS A 27 13.031 16.711 -12.601 1.00 0.00 C ATOM 416 CD LYS A 27 14.101 17.746 -12.904 1.00 0.00 C ATOM 417 CE LYS A 27 13.609 18.781 -13.904 1.00 0.00 C ATOM 418 NZ LYS A 27 14.687 19.730 -14.296 1.00 0.00 N ATOM 0 H LYS A 27 11.909 14.183 -15.487 1.00 0.00 H new ATOM 0 HA LYS A 27 10.731 15.482 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.206 14.835 -13.613 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.272 16.230 -14.671 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.108 17.214 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.342 16.102 -11.752 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.399 18.243 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.987 17.250 -13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.229 18.276 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.776 19.336 -13.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.312 20.419 -14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.032 20.231 -13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.471 19.204 -14.731 1.00 0.00 H new ATOM 432 N LEU A 28 10.222 16.752 -15.999 1.00 0.00 N ATOM 433 CA LEU A 28 9.673 17.880 -16.743 1.00 0.00 C ATOM 434 C LEU A 28 8.149 17.887 -16.675 1.00 0.00 C ATOM 435 O LEU A 28 7.539 18.897 -16.325 1.00 0.00 O ATOM 436 CB LEU A 28 10.129 17.823 -18.202 1.00 0.00 C ATOM 437 CG LEU A 28 9.620 18.945 -19.108 1.00 0.00 C ATOM 438 CD1 LEU A 28 10.295 20.262 -18.758 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.853 18.597 -20.571 1.00 0.00 C ATOM 0 H LEU A 28 10.168 15.858 -16.488 1.00 0.00 H new ATOM 0 HA LEU A 28 10.043 18.799 -16.288 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.219 17.833 -18.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.811 16.870 -18.624 1.00 0.00 H new ATOM 0 HG LEU A 28 8.548 19.056 -18.948 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.920 21.048 -19.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.077 20.519 -17.721 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.373 20.164 -18.888 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.485 19.407 -21.201 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.920 18.457 -20.746 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.322 17.677 -20.815 1.00 0.00 H new ATOM 451 N ASP A 29 7.542 16.754 -17.009 1.00 0.00 N ATOM 452 CA ASP A 29 6.089 16.629 -16.982 1.00 0.00 C ATOM 453 C ASP A 29 5.602 16.250 -15.587 1.00 0.00 C ATOM 454 O ASP A 29 4.674 16.860 -15.054 1.00 0.00 O ATOM 455 CB ASP A 29 5.627 15.583 -17.999 1.00 0.00 C ATOM 456 CG ASP A 29 4.984 16.209 -19.221 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.696 16.905 -19.974 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.769 16.003 -19.424 1.00 0.00 O ATOM 0 H ASP A 29 8.033 15.909 -17.302 1.00 0.00 H new ATOM 0 HA ASP A 29 5.661 17.596 -17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.481 14.980 -18.310 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.916 14.907 -17.524 1.00 0.00 H new ATOM 463 N LYS A 30 6.232 15.238 -15.000 1.00 0.00 N ATOM 464 CA LYS A 30 5.865 14.776 -13.667 1.00 0.00 C ATOM 465 C LYS A 30 6.597 15.575 -12.594 1.00 0.00 C ATOM 466 O LYS A 30 6.192 15.588 -11.431 1.00 0.00 O ATOM 467 CB LYS A 30 6.181 13.287 -13.515 1.00 0.00 C ATOM 468 CG LYS A 30 5.703 12.441 -14.682 1.00 0.00 C ATOM 469 CD LYS A 30 4.737 11.360 -14.228 1.00 0.00 C ATOM 470 CE LYS A 30 3.766 10.979 -15.336 1.00 0.00 C ATOM 471 NZ LYS A 30 2.397 10.723 -14.810 1.00 0.00 N ATOM 0 H LYS A 30 7.001 14.721 -15.428 1.00 0.00 H new ATOM 0 HA LYS A 30 4.793 14.927 -13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.258 13.162 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.721 12.919 -12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.216 13.079 -15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.560 11.981 -15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.297 10.479 -13.914 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.180 11.710 -13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.727 11.779 -16.076 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.131 10.089 -15.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.766 10.466 -15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.429 9.943 -14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.038 11.581 -14.344 1.00 0.00 H new ATOM 485 N HIS A 31 7.677 16.241 -12.991 1.00 0.00 N ATOM 486 CA HIS A 31 8.465 17.044 -12.063 1.00 0.00 C ATOM 487 C HIS A 31 8.992 16.187 -10.915 1.00 0.00 C ATOM 488 O HIS A 31 9.209 16.680 -9.809 1.00 0.00 O ATOM 489 CB HIS A 31 7.624 18.195 -11.511 1.00 0.00 C ATOM 490 CG HIS A 31 8.279 19.535 -11.649 1.00 0.00 C ATOM 491 ND1 HIS A 31 8.512 20.372 -10.578 1.00 0.00 N ATOM 492 CD2 HIS A 31 8.751 20.181 -12.740 1.00 0.00 C ATOM 493 CE1 HIS A 31 9.099 21.476 -11.006 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.256 21.385 -12.314 1.00 0.00 N ATOM 0 H HIS A 31 8.026 16.240 -13.949 1.00 0.00 H new ATOM 0 HA HIS A 31 9.316 17.454 -12.607 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.665 18.214 -12.028 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.415 18.009 -10.458 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.734 19.817 -13.757 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.399 22.311 -10.390 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.683 22.094 -12.911 1.00 0.00 H new ATOM 502 N ALA A 32 9.194 14.902 -11.187 1.00 0.00 N ATOM 503 CA ALA A 32 9.696 13.978 -10.178 1.00 0.00 C ATOM 504 C ALA A 32 11.199 14.147 -9.978 1.00 0.00 C ATOM 505 O ALA A 32 11.909 14.588 -10.881 1.00 0.00 O ATOM 506 CB ALA A 32 9.372 12.543 -10.569 1.00 0.00 C ATOM 0 H ALA A 32 9.018 14.477 -12.098 1.00 0.00 H new ATOM 0 HA ALA A 32 9.202 14.206 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.753 11.863 -9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.292 12.424 -10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.839 12.312 -11.526 1.00 0.00 H new ATOM 512 N ARG A 33 11.676 13.794 -8.789 1.00 0.00 N ATOM 513 CA ARG A 33 13.094 13.909 -8.470 1.00 0.00 C ATOM 514 C ARG A 33 13.950 13.269 -9.559 1.00 0.00 C ATOM 515 O ARG A 33 14.956 13.836 -9.985 1.00 0.00 O ATOM 516 CB ARG A 33 13.390 13.251 -7.121 1.00 0.00 C ATOM 517 CG ARG A 33 13.011 14.112 -5.927 1.00 0.00 C ATOM 518 CD ARG A 33 13.821 13.741 -4.694 1.00 0.00 C ATOM 519 NE ARG A 33 12.972 13.536 -3.524 1.00 0.00 N ATOM 520 CZ ARG A 33 12.305 14.513 -2.919 1.00 0.00 C ATOM 521 NH1 ARG A 33 12.388 15.756 -3.372 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.553 14.247 -1.858 1.00 0.00 N ATOM 0 H ARG A 33 11.101 13.426 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 33 13.343 14.969 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.851 12.305 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.453 13.016 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.174 15.162 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.948 13.994 -5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.389 12.833 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.544 14.530 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 33 12.886 12.591 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.965 15.964 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.875 16.504 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.487 13.292 -1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.041 14.998 -1.394 1.00 0.00 H new ATOM 536 N SER A 34 13.543 12.085 -10.005 1.00 0.00 N ATOM 537 CA SER A 34 14.275 11.365 -11.041 1.00 0.00 C ATOM 538 C SER A 34 13.331 10.503 -11.873 1.00 0.00 C ATOM 539 O SER A 34 12.121 10.495 -11.652 1.00 0.00 O ATOM 540 CB SER A 34 15.363 10.492 -10.413 1.00 0.00 C ATOM 541 OG SER A 34 15.282 10.514 -8.999 1.00 0.00 O ATOM 0 H SER A 34 12.710 11.604 -9.665 1.00 0.00 H new ATOM 0 HA SER A 34 14.743 12.098 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.262 9.467 -10.770 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.344 10.845 -10.730 1.00 0.00 H new ATOM 0 HG SER A 34 15.987 9.947 -8.622 1.00 0.00 H new ATOM 547 N GLY A 35 13.895 9.775 -12.832 1.00 0.00 N ATOM 548 CA GLY A 35 13.091 8.919 -13.684 1.00 0.00 C ATOM 549 C GLY A 35 13.928 7.923 -14.461 1.00 0.00 C ATOM 550 O GLY A 35 14.821 8.308 -15.215 1.00 0.00 O ATOM 0 H GLY A 35 14.895 9.763 -13.034 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.366 8.381 -13.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.524 9.535 -14.382 1.00 0.00 H new ATOM 554 N GLU A 36 13.641 6.638 -14.276 1.00 0.00 N ATOM 555 CA GLU A 36 14.377 5.584 -14.965 1.00 0.00 C ATOM 556 C GLU A 36 13.445 4.756 -15.845 1.00 0.00 C ATOM 557 O GLU A 36 12.227 4.932 -15.818 1.00 0.00 O ATOM 558 CB GLU A 36 15.080 4.678 -13.953 1.00 0.00 C ATOM 559 CG GLU A 36 14.125 3.832 -13.127 1.00 0.00 C ATOM 560 CD GLU A 36 13.426 4.630 -12.044 1.00 0.00 C ATOM 561 OE1 GLU A 36 14.068 4.919 -11.013 1.00 0.00 O ATOM 562 OE2 GLU A 36 12.237 4.965 -12.227 1.00 0.00 O ATOM 0 H GLU A 36 12.905 6.302 -13.655 1.00 0.00 H new ATOM 0 HA GLU A 36 15.126 6.055 -15.602 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.769 4.020 -14.484 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.680 5.293 -13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.378 3.387 -13.785 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.676 3.011 -12.669 1.00 0.00 H new ATOM 569 N CYS A 37 14.027 3.852 -16.626 1.00 0.00 N ATOM 570 CA CYS A 37 13.252 2.997 -17.516 1.00 0.00 C ATOM 571 C CYS A 37 13.268 1.550 -17.030 1.00 0.00 C ATOM 572 O CYS A 37 14.287 1.058 -16.545 1.00 0.00 O ATOM 573 CB CYS A 37 13.804 3.074 -18.941 1.00 0.00 C ATOM 574 SG CYS A 37 13.283 4.558 -19.860 1.00 0.00 S ATOM 0 H CYS A 37 15.034 3.693 -16.660 1.00 0.00 H new ATOM 0 HA CYS A 37 12.221 3.352 -17.513 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.893 3.049 -18.899 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.486 2.188 -19.491 1.00 0.00 H new ATOM 579 N PHE A 38 12.132 0.874 -17.165 1.00 0.00 N ATOM 580 CA PHE A 38 12.015 -0.516 -16.740 1.00 0.00 C ATOM 581 C PHE A 38 11.818 -1.437 -17.940 1.00 0.00 C ATOM 582 O PHE A 38 11.401 -0.998 -19.012 1.00 0.00 O ATOM 583 CB PHE A 38 10.848 -0.676 -15.763 1.00 0.00 C ATOM 584 CG PHE A 38 11.254 -0.567 -14.321 1.00 0.00 C ATOM 585 CD1 PHE A 38 11.848 0.588 -13.840 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.042 -1.621 -13.447 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.222 0.692 -12.514 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.413 -1.523 -12.119 1.00 0.00 C ATOM 589 CZ PHE A 38 12.006 -0.366 -11.653 1.00 0.00 C ATOM 0 H PHE A 38 11.280 1.266 -17.565 1.00 0.00 H new ATOM 0 HA PHE A 38 12.941 -0.796 -16.238 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.097 0.084 -15.979 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.377 -1.645 -15.927 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.021 1.418 -14.510 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.582 -2.529 -13.807 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.682 1.599 -12.151 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.239 -2.350 -11.447 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.300 -0.289 -10.617 1.00 0.00 H new ATOM 599 N TYR A 39 12.122 -2.717 -17.752 1.00 0.00 N ATOM 600 CA TYR A 39 11.982 -3.700 -18.819 1.00 0.00 C ATOM 601 C TYR A 39 10.743 -4.564 -18.605 1.00 0.00 C ATOM 602 O TYR A 39 10.795 -5.587 -17.923 1.00 0.00 O ATOM 603 CB TYR A 39 13.228 -4.585 -18.893 1.00 0.00 C ATOM 604 CG TYR A 39 14.049 -4.372 -20.144 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.449 -4.355 -21.398 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.424 -4.189 -20.074 1.00 0.00 C ATOM 607 CE1 TYR A 39 14.196 -4.162 -22.544 1.00 0.00 C ATOM 608 CE2 TYR A 39 16.178 -3.993 -21.214 1.00 0.00 C ATOM 609 CZ TYR A 39 15.560 -3.981 -22.447 1.00 0.00 C ATOM 610 OH TYR A 39 16.308 -3.788 -23.586 1.00 0.00 O ATOM 0 H TYR A 39 12.467 -3.097 -16.871 1.00 0.00 H new ATOM 0 HA TYR A 39 11.870 -3.163 -19.761 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.853 -4.391 -18.021 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.924 -5.631 -18.842 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.381 -4.495 -21.478 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.912 -4.200 -19.111 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.715 -4.153 -23.511 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.246 -3.850 -21.141 1.00 0.00 H new ATOM 0 HH TYR A 39 17.251 -3.676 -23.343 1.00 0.00 H new ATOM 620 N LYS A 40 9.628 -4.144 -19.194 1.00 0.00 N ATOM 621 CA LYS A 40 8.374 -4.878 -19.071 1.00 0.00 C ATOM 622 C LYS A 40 8.191 -5.842 -20.239 1.00 0.00 C ATOM 623 O LYS A 40 8.985 -5.849 -21.180 1.00 0.00 O ATOM 624 CB LYS A 40 7.194 -3.905 -19.009 1.00 0.00 C ATOM 625 CG LYS A 40 6.316 -4.092 -17.785 1.00 0.00 C ATOM 626 CD LYS A 40 4.940 -3.480 -17.987 1.00 0.00 C ATOM 627 CE LYS A 40 3.838 -4.513 -17.810 1.00 0.00 C ATOM 628 NZ LYS A 40 3.573 -4.801 -16.373 1.00 0.00 N ATOM 0 H LYS A 40 9.567 -3.299 -19.762 1.00 0.00 H new ATOM 0 HA LYS A 40 8.409 -5.456 -18.148 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.575 -2.884 -19.020 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.585 -4.028 -19.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.214 -5.155 -17.568 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.795 -3.635 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.795 -2.666 -17.276 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.877 -3.046 -18.985 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.924 -4.154 -18.283 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.119 -5.435 -18.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.816 -5.510 -16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.438 -5.168 -15.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.280 -3.927 -15.892 1.00 0.00 H new ATOM 642 N GLU A 41 7.140 -6.653 -20.172 1.00 0.00 N ATOM 643 CA GLU A 41 6.854 -7.621 -21.225 1.00 0.00 C ATOM 644 C GLU A 41 8.101 -8.428 -21.575 1.00 0.00 C ATOM 645 O GLU A 41 9.077 -8.443 -20.825 1.00 0.00 O ATOM 646 CB GLU A 41 6.327 -6.909 -22.472 1.00 0.00 C ATOM 647 CG GLU A 41 5.221 -5.909 -22.181 1.00 0.00 C ATOM 648 CD GLU A 41 4.060 -6.528 -21.426 1.00 0.00 C ATOM 649 OE1 GLU A 41 3.794 -7.731 -21.627 1.00 0.00 O ATOM 650 OE2 GLU A 41 3.419 -5.807 -20.632 1.00 0.00 O ATOM 0 H GLU A 41 6.473 -6.659 -19.400 1.00 0.00 H new ATOM 0 HA GLU A 41 6.091 -8.306 -20.857 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.153 -6.392 -22.961 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.956 -7.654 -23.176 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.628 -5.081 -21.600 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.858 -5.491 -23.120 1.00 0.00 H new ATOM 657 N LYS A 42 8.061 -9.100 -22.721 1.00 0.00 N ATOM 658 CA LYS A 42 9.186 -9.910 -23.173 1.00 0.00 C ATOM 659 C LYS A 42 10.269 -9.036 -23.797 1.00 0.00 C ATOM 660 O LYS A 42 11.454 -9.200 -23.508 1.00 0.00 O ATOM 661 CB LYS A 42 8.713 -10.956 -24.186 1.00 0.00 C ATOM 662 CG LYS A 42 8.531 -12.341 -23.589 1.00 0.00 C ATOM 663 CD LYS A 42 8.163 -13.362 -24.653 1.00 0.00 C ATOM 664 CE LYS A 42 8.531 -14.773 -24.221 1.00 0.00 C ATOM 665 NZ LYS A 42 7.629 -15.278 -23.149 1.00 0.00 N ATOM 0 H LYS A 42 7.261 -9.099 -23.354 1.00 0.00 H new ATOM 0 HA LYS A 42 9.608 -10.418 -22.306 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.768 -10.629 -24.619 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.434 -11.013 -25.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.451 -12.648 -23.092 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.752 -12.311 -22.827 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.093 -13.309 -24.855 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.675 -13.120 -25.584 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.482 -15.441 -25.081 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.561 -14.787 -23.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.913 -16.242 -22.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.695 -14.656 -22.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.649 -15.289 -23.497 1.00 0.00 H new ATOM 679 N ARG A 43 9.854 -8.107 -24.653 1.00 0.00 N ATOM 680 CA ARG A 43 10.790 -7.208 -25.317 1.00 0.00 C ATOM 681 C ARG A 43 10.418 -5.750 -25.060 1.00 0.00 C ATOM 682 O ARG A 43 11.288 -4.888 -24.950 1.00 0.00 O ATOM 683 CB ARG A 43 10.812 -7.482 -26.822 1.00 0.00 C ATOM 684 CG ARG A 43 11.244 -8.895 -27.177 1.00 0.00 C ATOM 685 CD ARG A 43 12.756 -9.004 -27.290 1.00 0.00 C ATOM 686 NE ARG A 43 13.165 -10.190 -28.038 1.00 0.00 N ATOM 687 CZ ARG A 43 13.169 -11.416 -27.527 1.00 0.00 C ATOM 688 NH1 ARG A 43 12.786 -11.616 -26.274 1.00 0.00 N ATOM 689 NH2 ARG A 43 13.554 -12.445 -28.271 1.00 0.00 N ATOM 0 H ARG A 43 8.876 -7.958 -24.903 1.00 0.00 H new ATOM 0 HA ARG A 43 11.783 -7.390 -24.907 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.818 -7.302 -27.230 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.487 -6.773 -27.302 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.884 -9.588 -26.417 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.785 -9.190 -28.121 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.148 -8.113 -27.781 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.193 -9.037 -26.292 1.00 0.00 H new ATOM 0 HE ARG A 43 13.464 -10.070 -29.006 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.487 -10.828 -25.700 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.790 -12.558 -25.884 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.847 -12.295 -29.236 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.557 -13.386 -27.878 1.00 0.00 H new ATOM 703 N ASN A 44 9.119 -5.484 -24.965 1.00 0.00 N ATOM 704 CA ASN A 44 8.632 -4.131 -24.722 1.00 0.00 C ATOM 705 C ASN A 44 9.371 -3.489 -23.551 1.00 0.00 C ATOM 706 O ASN A 44 10.041 -4.173 -22.776 1.00 0.00 O ATOM 707 CB ASN A 44 7.128 -4.151 -24.442 1.00 0.00 C ATOM 708 CG ASN A 44 6.482 -2.797 -24.662 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.279 -2.032 -23.719 1.00 0.00 O ATOM 710 ND2 ASN A 44 6.153 -2.495 -25.913 1.00 0.00 N ATOM 0 H ASN A 44 8.385 -6.187 -25.053 1.00 0.00 H new ATOM 0 HA ASN A 44 8.820 -3.537 -25.616 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.651 -4.888 -25.088 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.957 -4.470 -23.414 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.714 -1.599 -26.123 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.340 -3.159 -26.664 1.00 0.00 H new ATOM 717 N LEU A 45 9.243 -2.173 -23.428 1.00 0.00 N ATOM 718 CA LEU A 45 9.897 -1.438 -22.351 1.00 0.00 C ATOM 719 C LEU A 45 8.929 -0.459 -21.694 1.00 0.00 C ATOM 720 O LEU A 45 7.948 -0.038 -22.305 1.00 0.00 O ATOM 721 CB LEU A 45 11.116 -0.685 -22.888 1.00 0.00 C ATOM 722 CG LEU A 45 12.270 -0.487 -21.905 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.605 -0.552 -22.629 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.123 0.838 -21.170 1.00 0.00 C ATOM 0 H LEU A 45 8.692 -1.593 -24.061 1.00 0.00 H new ATOM 0 HA LEU A 45 10.224 -2.157 -21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.495 -1.221 -23.758 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.789 0.295 -23.235 1.00 0.00 H new ATOM 0 HG LEU A 45 12.239 -1.292 -21.171 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.414 -0.409 -21.913 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.712 -1.525 -23.108 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.647 0.231 -23.386 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.953 0.962 -20.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.128 1.656 -21.890 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.183 0.846 -20.618 1.00 0.00 H new ATOM 736 N GLN A 46 9.215 -0.101 -20.446 1.00 0.00 N ATOM 737 CA GLN A 46 8.370 0.829 -19.706 1.00 0.00 C ATOM 738 C GLN A 46 9.193 1.984 -19.146 1.00 0.00 C ATOM 739 O GLN A 46 10.424 1.943 -19.150 1.00 0.00 O ATOM 740 CB GLN A 46 7.648 0.103 -18.570 1.00 0.00 C ATOM 741 CG GLN A 46 6.168 -0.123 -18.835 1.00 0.00 C ATOM 742 CD GLN A 46 5.386 1.173 -18.920 1.00 0.00 C ATOM 743 OE1 GLN A 46 5.022 1.622 -20.007 1.00 0.00 O ATOM 744 NE2 GLN A 46 5.124 1.783 -17.770 1.00 0.00 N ATOM 0 H GLN A 46 10.025 -0.441 -19.927 1.00 0.00 H new ATOM 0 HA GLN A 46 7.630 1.235 -20.395 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.130 -0.860 -18.402 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.760 0.680 -17.652 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.050 -0.676 -19.767 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.751 -0.743 -18.041 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.445 1.375 -16.892 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.602 2.659 -17.765 1.00 0.00 H new ATOM 753 N CYS A 47 8.506 3.014 -18.664 1.00 0.00 N ATOM 754 CA CYS A 47 9.173 4.182 -18.100 1.00 0.00 C ATOM 755 C CYS A 47 8.542 4.578 -16.768 1.00 0.00 C ATOM 756 O CYS A 47 7.391 5.011 -16.719 1.00 0.00 O ATOM 757 CB CYS A 47 9.104 5.356 -19.078 1.00 0.00 C ATOM 758 SG CYS A 47 10.728 5.913 -19.686 1.00 0.00 S ATOM 0 H CYS A 47 7.487 3.064 -18.653 1.00 0.00 H new ATOM 0 HA CYS A 47 10.218 3.924 -17.925 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.488 5.069 -19.930 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.604 6.193 -18.590 1.00 0.00 H new ATOM 763 N ILE A 48 9.305 4.425 -15.690 1.00 0.00 N ATOM 764 CA ILE A 48 8.821 4.768 -14.359 1.00 0.00 C ATOM 765 C ILE A 48 9.555 5.984 -13.804 1.00 0.00 C ATOM 766 O ILE A 48 10.750 6.164 -14.041 1.00 0.00 O ATOM 767 CB ILE A 48 8.988 3.591 -13.379 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.413 2.309 -13.986 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.312 3.906 -12.053 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.260 1.184 -12.987 1.00 0.00 C ATOM 0 H ILE A 48 10.260 4.066 -15.713 1.00 0.00 H new ATOM 0 HA ILE A 48 7.761 5.000 -14.459 1.00 0.00 H new ATOM 0 HB ILE A 48 10.051 3.438 -13.195 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.440 2.529 -14.425 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.061 1.978 -14.797 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.439 3.065 -11.371 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.763 4.797 -11.617 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.249 4.082 -12.219 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.847 0.307 -13.487 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.234 0.937 -12.566 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.588 1.496 -12.188 1.00 0.00 H new ATOM 782 N CYS A 49 8.833 6.816 -13.061 1.00 0.00 N ATOM 783 CA CYS A 49 9.414 8.016 -12.470 1.00 0.00 C ATOM 784 C CYS A 49 9.951 7.727 -11.071 1.00 0.00 C ATOM 785 O CYS A 49 9.842 6.607 -10.572 1.00 0.00 O ATOM 786 CB CYS A 49 8.373 9.135 -12.408 1.00 0.00 C ATOM 787 SG CYS A 49 8.263 10.134 -13.928 1.00 0.00 S ATOM 0 H CYS A 49 7.843 6.681 -12.854 1.00 0.00 H new ATOM 0 HA CYS A 49 10.244 8.336 -13.100 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.396 8.697 -12.202 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.610 9.792 -11.571 1.00 0.00 H new ATOM 792 N ASP A 50 10.530 8.745 -10.444 1.00 0.00 N ATOM 793 CA ASP A 50 11.083 8.602 -9.102 1.00 0.00 C ATOM 794 C ASP A 50 10.849 9.867 -8.281 1.00 0.00 C ATOM 795 O ASP A 50 11.140 10.975 -8.732 1.00 0.00 O ATOM 796 CB ASP A 50 12.579 8.295 -9.174 1.00 0.00 C ATOM 797 CG ASP A 50 13.029 7.348 -8.079 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.358 7.296 -7.027 1.00 0.00 O ATOM 799 OD2 ASP A 50 14.051 6.658 -8.275 1.00 0.00 O ATOM 0 H ASP A 50 10.629 9.678 -10.843 1.00 0.00 H new ATOM 0 HA ASP A 50 10.574 7.772 -8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.811 7.859 -10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.142 9.225 -9.100 1.00 0.00 H new ATOM 804 N TYR A 51 10.322 9.693 -7.074 1.00 0.00 N ATOM 805 CA TYR A 51 10.047 10.820 -6.191 1.00 0.00 C ATOM 806 C TYR A 51 10.820 10.689 -4.883 1.00 0.00 C ATOM 807 O TYR A 51 10.384 11.174 -3.839 1.00 0.00 O ATOM 808 CB TYR A 51 8.547 10.915 -5.903 1.00 0.00 C ATOM 809 CG TYR A 51 7.729 11.365 -7.093 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.595 12.714 -7.397 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.090 10.442 -7.911 1.00 0.00 C ATOM 812 CE1 TYR A 51 6.848 13.131 -8.482 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.343 10.850 -8.999 1.00 0.00 C ATOM 814 CZ TYR A 51 6.225 12.195 -9.280 1.00 0.00 C ATOM 815 OH TYR A 51 5.480 12.605 -10.362 1.00 0.00 O ATOM 0 H TYR A 51 10.077 8.783 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 51 10.372 11.731 -6.694 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.187 9.941 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.387 11.610 -5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.083 13.449 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.179 9.388 -7.693 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.753 14.184 -8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.854 10.119 -9.626 1.00 0.00 H new ATOM 0 HH TYR A 51 5.661 13.551 -10.544 1.00 0.00 H new