USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 386 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 34 SER OG : rot 160:sc= 2.31 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.715 USER MOD Set 2.1: A 44 ASN : amide:sc= -1.57! C(o=-8.1!,f=-13!) USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -6.58! C(o=-14!,f=-8.1!) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.0795 (180deg=-0.785) USER MOD Single : A 6 LYS NZ :NH3+ -124:sc= -3.83! (180deg=-8.89!) USER MOD Single : A 8 TYR OH : rot 48:sc= -3.97! USER MOD Single : A 10 ASN : amide:sc= -2.17! C(o=-2.2!,f=-6.4!) USER MOD Single : A 11 TYR OH : rot 99:sc= 0.0652 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0038 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.129) USER MOD Single : A 17 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3.8!) USER MOD Single : A 20 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.9!) USER MOD Single : A 21 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 23 ASN : amide:sc= -9.51! C(o=-9.5!,f=-28!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -0.298 (180deg=-0.423) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.478 F(o=-1.3,f=-0.48) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc=-0.00115 (180deg=-0.176) USER MOD Single : A 51 TYR OH : rot -172:sc= -1.57! USER MOD ----------------------------------------------------------------- ATOM 35 N CYS A 4 70.801 -76.873 61.202 1.00 0.00 N ATOM 36 CA CYS A 4 69.973 -76.995 60.008 1.00 0.00 C ATOM 37 C CYS A 4 68.885 -75.914 59.986 1.00 0.00 C ATOM 38 O CYS A 4 68.320 -75.604 58.937 1.00 0.00 O ATOM 39 CB CYS A 4 69.298 -78.367 59.979 1.00 0.00 C ATOM 40 SG CYS A 4 70.524 -79.651 60.330 1.00 0.00 S ATOM 0 HA CYS A 4 70.618 -76.875 59.138 1.00 0.00 H new ATOM 0 HB2 CYS A 4 68.495 -78.405 60.715 1.00 0.00 H new ATOM 0 HB3 CYS A 4 68.844 -78.540 59.003 1.00 0.00 H new ATOM 45 N LYS A 5 68.579 -75.372 61.160 1.00 0.00 N ATOM 46 CA LYS A 5 67.514 -74.383 61.279 1.00 0.00 C ATOM 47 C LYS A 5 68.023 -72.998 60.893 1.00 0.00 C ATOM 48 O LYS A 5 69.110 -72.589 61.302 1.00 0.00 O ATOM 49 CB LYS A 5 66.987 -74.353 62.715 1.00 0.00 C ATOM 50 CG LYS A 5 66.269 -75.668 63.024 1.00 0.00 C ATOM 51 CD LYS A 5 65.619 -75.585 64.406 1.00 0.00 C ATOM 52 CE LYS A 5 64.947 -76.919 64.736 1.00 0.00 C ATOM 53 NZ LYS A 5 63.999 -77.282 63.646 1.00 0.00 N ATOM 0 H LYS A 5 69.049 -75.599 62.036 1.00 0.00 H new ATOM 0 HA LYS A 5 66.707 -74.663 60.602 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.811 -74.204 63.413 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.303 -73.514 62.845 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.511 -75.867 62.266 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.977 -76.496 62.993 1.00 0.00 H new ATOM 0 HD2 LYS A 5 66.371 -75.348 65.159 1.00 0.00 H new ATOM 0 HD3 LYS A 5 64.884 -74.781 64.426 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.700 -77.699 64.852 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.416 -76.846 65.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.332 -78.001 63.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.473 -76.436 63.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.530 -77.663 62.837 1.00 0.00 H new ATOM 67 N LYS A 6 67.231 -72.281 60.102 1.00 0.00 N ATOM 68 CA LYS A 6 67.588 -70.922 59.708 1.00 0.00 C ATOM 69 C LYS A 6 66.398 -69.984 59.881 1.00 0.00 C ATOM 70 O LYS A 6 65.375 -70.134 59.212 1.00 0.00 O ATOM 71 CB LYS A 6 68.047 -70.905 58.249 1.00 0.00 C ATOM 72 CG LYS A 6 69.487 -71.409 58.159 1.00 0.00 C ATOM 73 CD LYS A 6 69.762 -71.926 56.745 1.00 0.00 C ATOM 74 CE LYS A 6 69.427 -70.833 55.729 1.00 0.00 C ATOM 75 NZ LYS A 6 67.959 -70.832 55.466 1.00 0.00 N ATOM 0 H LYS A 6 66.345 -72.615 59.724 1.00 0.00 H new ATOM 0 HA LYS A 6 68.401 -70.580 60.348 1.00 0.00 H new ATOM 0 HB2 LYS A 6 67.393 -71.533 57.644 1.00 0.00 H new ATOM 0 HB3 LYS A 6 67.979 -69.894 57.848 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.181 -70.605 58.404 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.651 -72.204 58.886 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.808 -72.218 56.650 1.00 0.00 H new ATOM 0 HD3 LYS A 6 69.164 -72.816 56.549 1.00 0.00 H new ATOM 0 HE2 LYS A 6 69.740 -69.860 56.109 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.973 -71.004 54.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 67.789 -70.947 54.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 67.513 -71.617 55.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 67.550 -69.931 55.786 1.00 0.00 H new ATOM 89 N VAL A 7 66.539 -69.016 60.779 1.00 0.00 N ATOM 90 CA VAL A 7 65.444 -68.100 61.078 1.00 0.00 C ATOM 91 C VAL A 7 65.243 -67.115 59.933 1.00 0.00 C ATOM 92 O VAL A 7 66.208 -66.584 59.382 1.00 0.00 O ATOM 93 CB VAL A 7 65.740 -67.334 62.369 1.00 0.00 C ATOM 94 CG1 VAL A 7 64.542 -66.453 62.726 1.00 0.00 C ATOM 95 CG2 VAL A 7 65.999 -68.327 63.503 1.00 0.00 C ATOM 0 H VAL A 7 67.393 -68.845 61.309 1.00 0.00 H new ATOM 0 HA VAL A 7 64.532 -68.683 61.205 1.00 0.00 H new ATOM 0 HB VAL A 7 66.621 -66.708 62.226 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.753 -65.907 63.646 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.358 -65.745 61.918 1.00 0.00 H new ATOM 0 HG13 VAL A 7 63.661 -67.078 62.869 1.00 0.00 H new ATOM 0 HG21 VAL A 7 66.210 -67.782 64.423 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.119 -68.953 63.646 1.00 0.00 H new ATOM 0 HG23 VAL A 7 66.853 -68.954 63.249 1.00 0.00 H new ATOM 105 N TYR A 8 63.985 -66.874 59.577 1.00 0.00 N ATOM 106 CA TYR A 8 63.667 -65.905 58.535 1.00 0.00 C ATOM 107 C TYR A 8 63.569 -64.500 59.122 1.00 0.00 C ATOM 108 O TYR A 8 62.916 -64.288 60.144 1.00 0.00 O ATOM 109 CB TYR A 8 62.343 -66.275 57.865 1.00 0.00 C ATOM 110 CG TYR A 8 62.621 -67.053 56.600 1.00 0.00 C ATOM 111 CD1 TYR A 8 63.459 -68.173 56.637 1.00 0.00 C ATOM 112 CD2 TYR A 8 62.038 -66.654 55.392 1.00 0.00 C ATOM 113 CE1 TYR A 8 63.716 -68.894 55.464 1.00 0.00 C ATOM 114 CE2 TYR A 8 62.295 -67.375 54.219 1.00 0.00 C ATOM 115 CZ TYR A 8 63.133 -68.495 54.256 1.00 0.00 C ATOM 116 OH TYR A 8 63.387 -69.206 53.100 1.00 0.00 O ATOM 0 H TYR A 8 63.174 -67.333 59.992 1.00 0.00 H new ATOM 0 HA TYR A 8 64.466 -65.921 57.793 1.00 0.00 H new ATOM 0 HB2 TYR A 8 61.733 -66.870 58.544 1.00 0.00 H new ATOM 0 HB3 TYR A 8 61.776 -65.374 57.633 1.00 0.00 H new ATOM 0 HD1 TYR A 8 63.908 -68.481 57.570 1.00 0.00 H new ATOM 0 HD2 TYR A 8 61.390 -65.790 55.364 1.00 0.00 H new ATOM 0 HE1 TYR A 8 64.364 -69.758 55.492 1.00 0.00 H new ATOM 0 HE2 TYR A 8 61.846 -67.067 53.286 1.00 0.00 H new ATOM 0 HH TYR A 8 63.271 -70.164 53.273 1.00 0.00 H new ATOM 126 N GLU A 9 64.219 -63.544 58.467 1.00 0.00 N ATOM 127 CA GLU A 9 64.188 -62.160 58.927 1.00 0.00 C ATOM 128 C GLU A 9 63.473 -61.273 57.912 1.00 0.00 C ATOM 129 O GLU A 9 63.727 -61.358 56.710 1.00 0.00 O ATOM 130 CB GLU A 9 65.615 -61.649 59.137 1.00 0.00 C ATOM 131 CG GLU A 9 66.309 -62.493 60.208 1.00 0.00 C ATOM 132 CD GLU A 9 66.757 -63.823 59.613 1.00 0.00 C ATOM 133 OE1 GLU A 9 66.595 -63.999 58.417 1.00 0.00 O ATOM 134 OE2 GLU A 9 67.257 -64.646 60.363 1.00 0.00 O ATOM 0 H GLU A 9 64.770 -63.700 57.623 1.00 0.00 H new ATOM 0 HA GLU A 9 63.645 -62.123 59.871 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.172 -61.700 58.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 65.596 -60.602 59.440 1.00 0.00 H new ATOM 0 HG2 GLU A 9 67.169 -61.955 60.606 1.00 0.00 H new ATOM 0 HG3 GLU A 9 65.629 -62.669 61.042 1.00 0.00 H new ATOM 141 N ASN A 10 62.577 -60.424 58.405 1.00 0.00 N ATOM 142 CA ASN A 10 61.847 -59.510 57.534 1.00 0.00 C ATOM 143 C ASN A 10 60.899 -60.283 56.621 1.00 0.00 C ATOM 144 O ASN A 10 61.054 -60.275 55.400 1.00 0.00 O ATOM 145 CB ASN A 10 62.828 -58.699 56.687 1.00 0.00 C ATOM 146 CG ASN A 10 64.017 -58.267 57.538 1.00 0.00 C ATOM 147 OD1 ASN A 10 64.056 -58.540 58.737 1.00 0.00 O ATOM 148 ND2 ASN A 10 64.996 -57.602 56.985 1.00 0.00 N ATOM 0 H ASN A 10 62.340 -60.350 59.394 1.00 0.00 H new ATOM 0 HA ASN A 10 61.262 -58.833 58.157 1.00 0.00 H new ATOM 0 HB2 ASN A 10 63.172 -59.296 55.843 1.00 0.00 H new ATOM 0 HB3 ASN A 10 62.328 -57.823 56.275 1.00 0.00 H new ATOM 0 HD21 ASN A 10 65.795 -57.308 57.547 1.00 0.00 H new ATOM 0 HD22 ASN A 10 64.962 -57.377 55.991 1.00 0.00 H new ATOM 155 N TYR A 11 59.916 -60.945 57.223 1.00 0.00 N ATOM 156 CA TYR A 11 58.926 -61.688 56.452 1.00 0.00 C ATOM 157 C TYR A 11 57.520 -61.407 56.973 1.00 0.00 C ATOM 158 O TYR A 11 57.333 -61.094 58.149 1.00 0.00 O ATOM 159 CB TYR A 11 59.215 -63.188 56.538 1.00 0.00 C ATOM 160 CG TYR A 11 60.104 -63.597 55.388 1.00 0.00 C ATOM 161 CD1 TYR A 11 61.453 -63.223 55.379 1.00 0.00 C ATOM 162 CD2 TYR A 11 59.579 -64.349 54.330 1.00 0.00 C ATOM 163 CE1 TYR A 11 62.277 -63.601 54.313 1.00 0.00 C ATOM 164 CE2 TYR A 11 60.403 -64.727 53.264 1.00 0.00 C ATOM 165 CZ TYR A 11 61.753 -64.354 53.256 1.00 0.00 C ATOM 166 OH TYR A 11 62.565 -64.727 52.203 1.00 0.00 O ATOM 0 H TYR A 11 59.784 -60.982 58.234 1.00 0.00 H new ATOM 0 HA TYR A 11 58.986 -61.366 55.412 1.00 0.00 H new ATOM 0 HB2 TYR A 11 59.699 -63.422 57.486 1.00 0.00 H new ATOM 0 HB3 TYR A 11 58.282 -63.751 56.508 1.00 0.00 H new ATOM 0 HD1 TYR A 11 61.858 -62.643 56.195 1.00 0.00 H new ATOM 0 HD2 TYR A 11 58.538 -64.637 54.337 1.00 0.00 H new ATOM 0 HE1 TYR A 11 63.317 -63.312 54.306 1.00 0.00 H new ATOM 0 HE2 TYR A 11 59.998 -65.306 52.447 1.00 0.00 H new ATOM 0 HH TYR A 11 62.860 -65.653 52.329 1.00 0.00 H new ATOM 176 N PRO A 12 56.540 -61.513 56.119 1.00 0.00 N ATOM 177 CA PRO A 12 55.118 -61.258 56.485 1.00 0.00 C ATOM 178 C PRO A 12 54.601 -62.256 57.520 1.00 0.00 C ATOM 179 O PRO A 12 54.663 -63.467 57.310 1.00 0.00 O ATOM 180 CB PRO A 12 54.343 -61.404 55.140 1.00 0.00 C ATOM 181 CG PRO A 12 55.252 -62.186 54.249 1.00 0.00 C ATOM 182 CD PRO A 12 56.683 -61.890 54.705 1.00 0.00 C ATOM 0 HA PRO A 12 54.991 -60.278 56.945 1.00 0.00 H new ATOM 0 HB2 PRO A 12 53.394 -61.920 55.286 1.00 0.00 H new ATOM 0 HB3 PRO A 12 54.113 -60.429 54.710 1.00 0.00 H new ATOM 0 HG2 PRO A 12 55.037 -63.252 54.318 1.00 0.00 H new ATOM 0 HG3 PRO A 12 55.112 -61.900 53.207 1.00 0.00 H new ATOM 0 HD2 PRO A 12 57.327 -62.762 54.588 1.00 0.00 H new ATOM 0 HD3 PRO A 12 57.129 -61.085 54.121 1.00 0.00 H new ATOM 190 N VAL A 13 54.094 -61.737 58.633 1.00 0.00 N ATOM 191 CA VAL A 13 53.564 -62.591 59.689 1.00 0.00 C ATOM 192 C VAL A 13 52.178 -63.108 59.316 1.00 0.00 C ATOM 193 O VAL A 13 51.883 -64.292 59.478 1.00 0.00 O ATOM 194 CB VAL A 13 53.482 -61.808 61.001 1.00 0.00 C ATOM 195 CG1 VAL A 13 54.882 -61.348 61.410 1.00 0.00 C ATOM 196 CG2 VAL A 13 52.580 -60.587 60.809 1.00 0.00 C ATOM 0 H VAL A 13 54.039 -60.737 58.826 1.00 0.00 H new ATOM 0 HA VAL A 13 54.235 -63.441 59.814 1.00 0.00 H new ATOM 0 HB VAL A 13 53.068 -62.448 61.781 1.00 0.00 H new ATOM 0 HG11 VAL A 13 54.823 -60.790 62.345 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.525 -62.217 61.546 1.00 0.00 H new ATOM 0 HG13 VAL A 13 55.297 -60.708 60.631 1.00 0.00 H new ATOM 0 HG21 VAL A 13 52.521 -60.028 61.743 1.00 0.00 H new ATOM 0 HG22 VAL A 13 52.994 -59.948 60.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 51.582 -60.914 60.518 1.00 0.00 H new ATOM 206 N SER A 14 51.333 -62.213 58.815 1.00 0.00 N ATOM 207 CA SER A 14 49.972 -62.585 58.448 1.00 0.00 C ATOM 208 C SER A 14 49.976 -63.823 57.557 1.00 0.00 C ATOM 209 O SER A 14 49.105 -64.684 57.671 1.00 0.00 O ATOM 210 CB SER A 14 49.295 -61.427 57.713 1.00 0.00 C ATOM 211 OG SER A 14 49.428 -60.240 58.483 1.00 0.00 O ATOM 0 H SER A 14 51.564 -61.233 58.655 1.00 0.00 H new ATOM 0 HA SER A 14 49.419 -62.810 59.360 1.00 0.00 H new ATOM 0 HB2 SER A 14 49.748 -61.290 56.731 1.00 0.00 H new ATOM 0 HB3 SER A 14 48.241 -61.652 57.549 1.00 0.00 H new ATOM 0 HG SER A 14 48.997 -59.496 58.014 1.00 0.00 H new ATOM 217 N LYS A 15 50.963 -63.904 56.671 1.00 0.00 N ATOM 218 CA LYS A 15 51.071 -65.041 55.765 1.00 0.00 C ATOM 219 C LYS A 15 51.506 -66.290 56.524 1.00 0.00 C ATOM 220 O LYS A 15 51.137 -67.409 56.162 1.00 0.00 O ATOM 221 CB LYS A 15 52.084 -64.733 54.660 1.00 0.00 C ATOM 222 CG LYS A 15 51.503 -63.682 53.713 1.00 0.00 C ATOM 223 CD LYS A 15 52.374 -63.588 52.458 1.00 0.00 C ATOM 224 CE LYS A 15 51.845 -62.476 51.551 1.00 0.00 C ATOM 225 NZ LYS A 15 52.212 -61.151 52.125 1.00 0.00 N ATOM 0 H LYS A 15 51.694 -63.202 56.561 1.00 0.00 H new ATOM 0 HA LYS A 15 50.093 -65.223 55.320 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.015 -64.370 55.096 1.00 0.00 H new ATOM 0 HB3 LYS A 15 52.324 -65.642 54.108 1.00 0.00 H new ATOM 0 HG2 LYS A 15 50.482 -63.948 53.441 1.00 0.00 H new ATOM 0 HG3 LYS A 15 51.458 -62.713 54.211 1.00 0.00 H new ATOM 0 HD2 LYS A 15 53.408 -63.385 52.735 1.00 0.00 H new ATOM 0 HD3 LYS A 15 52.368 -64.539 51.926 1.00 0.00 H new ATOM 0 HE2 LYS A 15 52.263 -62.579 50.550 1.00 0.00 H new ATOM 0 HE3 LYS A 15 50.762 -62.555 51.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 52.037 -60.407 51.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 51.637 -60.968 52.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 53.219 -61.152 52.384 1.00 0.00 H new ATOM 239 N CYS A 16 52.293 -66.093 57.576 1.00 0.00 N ATOM 240 CA CYS A 16 52.767 -67.211 58.384 1.00 0.00 C ATOM 241 C CYS A 16 51.614 -67.833 59.166 1.00 0.00 C ATOM 242 O CYS A 16 51.782 -68.854 59.831 1.00 0.00 O ATOM 243 CB CYS A 16 53.847 -66.733 59.355 1.00 0.00 C ATOM 244 SG CYS A 16 55.453 -67.391 58.844 1.00 0.00 S ATOM 0 H CYS A 16 52.614 -65.177 57.888 1.00 0.00 H new ATOM 0 HA CYS A 16 53.187 -67.965 57.718 1.00 0.00 H new ATOM 0 HB2 CYS A 16 53.878 -65.644 59.374 1.00 0.00 H new ATOM 0 HB3 CYS A 16 53.613 -67.063 60.367 1.00 0.00 H new ATOM 249 N GLN A 17 50.444 -67.209 59.081 1.00 0.00 N ATOM 250 CA GLN A 17 49.271 -67.705 59.793 1.00 0.00 C ATOM 251 C GLN A 17 48.888 -69.093 59.290 1.00 0.00 C ATOM 252 O GLN A 17 48.031 -69.759 59.870 1.00 0.00 O ATOM 253 CB GLN A 17 48.097 -66.745 59.596 1.00 0.00 C ATOM 254 CG GLN A 17 47.590 -66.846 58.157 1.00 0.00 C ATOM 255 CD GLN A 17 46.693 -65.656 57.836 1.00 0.00 C ATOM 256 OE1 GLN A 17 46.426 -64.826 58.705 1.00 0.00 O ATOM 257 NE2 GLN A 17 46.207 -65.522 56.632 1.00 0.00 N ATOM 0 H GLN A 17 50.283 -66.365 58.531 1.00 0.00 H new ATOM 0 HA GLN A 17 49.512 -67.770 60.854 1.00 0.00 H new ATOM 0 HB2 GLN A 17 47.295 -66.987 60.293 1.00 0.00 H new ATOM 0 HB3 GLN A 17 48.409 -65.723 59.812 1.00 0.00 H new ATOM 0 HG2 GLN A 17 48.433 -66.873 57.467 1.00 0.00 H new ATOM 0 HG3 GLN A 17 47.037 -67.776 58.022 1.00 0.00 H new ATOM 0 HE21 GLN A 17 46.429 -66.210 55.913 1.00 0.00 H new ATOM 0 HE22 GLN A 17 45.605 -64.729 56.410 1.00 0.00 H new ATOM 266 N LEU A 18 49.528 -69.521 58.207 1.00 0.00 N ATOM 267 CA LEU A 18 49.262 -70.841 57.646 1.00 0.00 C ATOM 268 C LEU A 18 50.551 -71.653 57.556 1.00 0.00 C ATOM 269 O LEU A 18 51.369 -71.442 56.660 1.00 0.00 O ATOM 270 CB LEU A 18 48.646 -70.702 56.253 1.00 0.00 C ATOM 271 CG LEU A 18 47.140 -70.471 56.382 1.00 0.00 C ATOM 272 CD1 LEU A 18 46.636 -69.685 55.171 1.00 0.00 C ATOM 273 CD2 LEU A 18 46.422 -71.822 56.445 1.00 0.00 C ATOM 0 H LEU A 18 50.229 -68.978 57.703 1.00 0.00 H new ATOM 0 HA LEU A 18 48.563 -71.360 58.301 1.00 0.00 H new ATOM 0 HB2 LEU A 18 49.108 -69.870 55.721 1.00 0.00 H new ATOM 0 HB3 LEU A 18 48.838 -71.601 55.667 1.00 0.00 H new ATOM 0 HG LEU A 18 46.937 -69.905 57.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.562 -69.521 55.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 47.147 -68.723 55.123 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.839 -70.249 54.261 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.348 -71.659 56.537 1.00 0.00 H new ATOM 0 HD22 LEU A 18 46.627 -72.386 55.535 1.00 0.00 H new ATOM 0 HD23 LEU A 18 46.779 -72.384 57.308 1.00 0.00 H new ATOM 285 N ALA A 19 50.725 -72.583 58.490 1.00 0.00 N ATOM 286 CA ALA A 19 51.916 -73.424 58.504 1.00 0.00 C ATOM 287 C ALA A 19 52.235 -73.926 57.099 1.00 0.00 C ATOM 288 O ALA A 19 53.323 -74.445 56.849 1.00 0.00 O ATOM 289 CB ALA A 19 51.701 -74.616 59.438 1.00 0.00 C ATOM 0 H ALA A 19 50.062 -72.772 59.241 1.00 0.00 H new ATOM 0 HA ALA A 19 52.755 -72.828 58.863 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.595 -75.240 59.443 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.504 -74.256 60.448 1.00 0.00 H new ATOM 0 HB3 ALA A 19 50.851 -75.203 59.089 1.00 0.00 H new ATOM 295 N ASN A 20 51.281 -73.768 56.189 1.00 0.00 N ATOM 296 CA ASN A 20 51.478 -74.199 54.809 1.00 0.00 C ATOM 297 C ASN A 20 52.214 -73.127 54.012 1.00 0.00 C ATOM 298 O ASN A 20 53.030 -73.436 53.144 1.00 0.00 O ATOM 299 CB ASN A 20 50.125 -74.486 54.154 1.00 0.00 C ATOM 300 CG ASN A 20 49.526 -75.763 54.733 1.00 0.00 C ATOM 301 OD1 ASN A 20 50.237 -76.564 55.340 1.00 0.00 O ATOM 302 ND2 ASN A 20 48.253 -76.004 54.579 1.00 0.00 N ATOM 0 H ASN A 20 50.371 -73.349 56.378 1.00 0.00 H new ATOM 0 HA ASN A 20 52.080 -75.108 54.814 1.00 0.00 H new ATOM 0 HB2 ASN A 20 49.447 -73.649 54.319 1.00 0.00 H new ATOM 0 HB3 ASN A 20 50.248 -74.588 53.076 1.00 0.00 H new ATOM 0 HD21 ASN A 20 47.845 -76.857 54.962 1.00 0.00 H new ATOM 0 HD22 ASN A 20 47.665 -75.339 54.076 1.00 0.00 H new ATOM 309 N GLN A 21 51.918 -71.866 54.311 1.00 0.00 N ATOM 310 CA GLN A 21 52.566 -70.756 53.623 1.00 0.00 C ATOM 311 C GLN A 21 53.997 -70.577 54.121 1.00 0.00 C ATOM 312 O GLN A 21 54.930 -70.452 53.328 1.00 0.00 O ATOM 313 CB GLN A 21 51.779 -69.465 53.857 1.00 0.00 C ATOM 314 CG GLN A 21 50.450 -69.534 53.102 1.00 0.00 C ATOM 315 CD GLN A 21 50.701 -69.483 51.599 1.00 0.00 C ATOM 316 OE1 GLN A 21 51.260 -68.509 51.094 1.00 0.00 O ATOM 317 NE2 GLN A 21 50.319 -70.481 50.849 1.00 0.00 N ATOM 0 H GLN A 21 51.239 -71.589 55.020 1.00 0.00 H new ATOM 0 HA GLN A 21 52.589 -70.980 52.557 1.00 0.00 H new ATOM 0 HB2 GLN A 21 51.597 -69.325 54.923 1.00 0.00 H new ATOM 0 HB3 GLN A 21 52.358 -68.607 53.517 1.00 0.00 H new ATOM 0 HG2 GLN A 21 49.923 -70.453 53.360 1.00 0.00 H new ATOM 0 HG3 GLN A 21 49.809 -68.704 53.400 1.00 0.00 H new ATOM 0 HE21 GLN A 21 49.856 -71.287 51.269 1.00 0.00 H new ATOM 0 HE22 GLN A 21 50.483 -70.455 49.843 1.00 0.00 H new ATOM 326 N CYS A 22 54.162 -70.565 55.439 1.00 0.00 N ATOM 327 CA CYS A 22 55.482 -70.388 56.034 1.00 0.00 C ATOM 328 C CYS A 22 56.476 -71.386 55.446 1.00 0.00 C ATOM 329 O CYS A 22 57.492 -70.998 54.871 1.00 0.00 O ATOM 330 CB CYS A 22 55.401 -70.578 57.549 1.00 0.00 C ATOM 331 SG CYS A 22 57.065 -70.504 58.257 1.00 0.00 S ATOM 0 H CYS A 22 53.404 -70.675 56.112 1.00 0.00 H new ATOM 0 HA CYS A 22 55.826 -69.378 55.812 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.772 -69.805 57.990 1.00 0.00 H new ATOM 0 HB3 CYS A 22 54.938 -71.537 57.782 1.00 0.00 H new ATOM 336 N ASN A 23 56.175 -72.671 55.598 1.00 0.00 N ATOM 337 CA ASN A 23 57.064 -73.717 55.104 1.00 0.00 C ATOM 338 C ASN A 23 57.272 -73.582 53.599 1.00 0.00 C ATOM 339 O ASN A 23 58.395 -73.684 53.106 1.00 0.00 O ATOM 340 CB ASN A 23 56.475 -75.094 55.418 1.00 0.00 C ATOM 341 CG ASN A 23 55.050 -75.185 54.883 1.00 0.00 C ATOM 342 OD1 ASN A 23 54.358 -74.172 54.781 1.00 0.00 O ATOM 343 ND2 ASN A 23 54.567 -76.346 54.533 1.00 0.00 N ATOM 0 H ASN A 23 55.329 -73.012 56.055 1.00 0.00 H new ATOM 0 HA ASN A 23 58.028 -73.611 55.602 1.00 0.00 H new ATOM 0 HB2 ASN A 23 57.091 -75.873 54.970 1.00 0.00 H new ATOM 0 HB3 ASN A 23 56.480 -75.264 56.495 1.00 0.00 H new ATOM 0 HD21 ASN A 23 53.615 -76.415 54.174 1.00 0.00 H new ATOM 0 HD22 ASN A 23 55.142 -77.184 54.618 1.00 0.00 H new ATOM 350 N TYR A 24 56.182 -73.355 52.874 1.00 0.00 N ATOM 351 CA TYR A 24 56.258 -73.196 51.426 1.00 0.00 C ATOM 352 C TYR A 24 57.194 -72.049 51.059 1.00 0.00 C ATOM 353 O TYR A 24 58.177 -72.242 50.344 1.00 0.00 O ATOM 354 CB TYR A 24 54.865 -72.922 50.857 1.00 0.00 C ATOM 355 CG TYR A 24 54.230 -74.223 50.426 1.00 0.00 C ATOM 356 CD1 TYR A 24 54.063 -75.259 51.352 1.00 0.00 C ATOM 357 CD2 TYR A 24 53.811 -74.393 49.102 1.00 0.00 C ATOM 358 CE1 TYR A 24 53.475 -76.466 50.954 1.00 0.00 C ATOM 359 CE2 TYR A 24 53.224 -75.600 48.703 1.00 0.00 C ATOM 360 CZ TYR A 24 53.056 -76.636 49.629 1.00 0.00 C ATOM 361 OH TYR A 24 52.476 -77.826 49.236 1.00 0.00 O ATOM 0 H TYR A 24 55.242 -73.277 53.262 1.00 0.00 H new ATOM 0 HA TYR A 24 56.650 -74.119 50.999 1.00 0.00 H new ATOM 0 HB2 TYR A 24 54.244 -72.433 51.608 1.00 0.00 H new ATOM 0 HB3 TYR A 24 54.935 -72.241 50.009 1.00 0.00 H new ATOM 0 HD1 TYR A 24 54.388 -75.128 52.374 1.00 0.00 H new ATOM 0 HD2 TYR A 24 53.940 -73.593 48.388 1.00 0.00 H new ATOM 0 HE1 TYR A 24 53.345 -77.265 51.669 1.00 0.00 H new ATOM 0 HE2 TYR A 24 52.901 -75.732 47.681 1.00 0.00 H new ATOM 0 HH TYR A 24 52.242 -77.778 48.286 1.00 0.00 H new ATOM 371 N ASP A 25 56.880 -70.855 51.551 1.00 0.00 N ATOM 372 CA ASP A 25 57.696 -69.680 51.259 1.00 0.00 C ATOM 373 C ASP A 25 59.162 -69.946 51.590 1.00 0.00 C ATOM 374 O ASP A 25 60.057 -69.543 50.849 1.00 0.00 O ATOM 375 CB ASP A 25 57.196 -68.485 52.072 1.00 0.00 C ATOM 376 CG ASP A 25 55.809 -68.071 51.592 1.00 0.00 C ATOM 377 OD1 ASP A 25 55.419 -68.509 50.522 1.00 0.00 O ATOM 378 OD2 ASP A 25 55.158 -67.322 52.301 1.00 0.00 O ATOM 0 H ASP A 25 56.073 -70.675 52.149 1.00 0.00 H new ATOM 0 HA ASP A 25 57.612 -69.458 50.195 1.00 0.00 H new ATOM 0 HB2 ASP A 25 57.161 -68.744 53.130 1.00 0.00 H new ATOM 0 HB3 ASP A 25 57.889 -67.650 51.970 1.00 0.00 H new ATOM 383 N CYS A 26 59.398 -70.623 52.708 1.00 0.00 N ATOM 384 CA CYS A 26 60.759 -70.936 53.127 1.00 0.00 C ATOM 385 C CYS A 26 61.511 -71.659 52.014 1.00 0.00 C ATOM 386 O CYS A 26 62.644 -71.306 51.686 1.00 0.00 O ATOM 387 CB CYS A 26 60.733 -71.812 54.381 1.00 0.00 C ATOM 388 SG CYS A 26 62.066 -71.310 55.497 1.00 0.00 S ATOM 0 H CYS A 26 58.670 -70.964 53.337 1.00 0.00 H new ATOM 0 HA CYS A 26 61.273 -70.001 53.349 1.00 0.00 H new ATOM 0 HB2 CYS A 26 59.770 -71.718 54.883 1.00 0.00 H new ATOM 0 HB3 CYS A 26 60.849 -72.861 54.107 1.00 0.00 H new ATOM 393 N LYS A 27 60.875 -72.674 51.439 1.00 0.00 N ATOM 394 CA LYS A 27 61.501 -73.451 50.375 1.00 0.00 C ATOM 395 C LYS A 27 61.709 -72.592 49.132 1.00 0.00 C ATOM 396 O LYS A 27 62.818 -72.509 48.602 1.00 0.00 O ATOM 397 CB LYS A 27 60.625 -74.656 50.024 1.00 0.00 C ATOM 398 CG LYS A 27 60.413 -75.513 51.273 1.00 0.00 C ATOM 399 CD LYS A 27 59.602 -76.758 50.907 1.00 0.00 C ATOM 400 CE LYS A 27 58.921 -77.311 52.160 1.00 0.00 C ATOM 401 NZ LYS A 27 57.563 -76.712 52.293 1.00 0.00 N ATOM 0 H LYS A 27 59.934 -72.976 51.689 1.00 0.00 H new ATOM 0 HA LYS A 27 62.472 -73.797 50.728 1.00 0.00 H new ATOM 0 HB2 LYS A 27 59.665 -74.320 49.633 1.00 0.00 H new ATOM 0 HB3 LYS A 27 61.098 -75.247 49.240 1.00 0.00 H new ATOM 0 HG2 LYS A 27 61.375 -75.804 51.695 1.00 0.00 H new ATOM 0 HG3 LYS A 27 59.891 -74.938 52.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 58.854 -76.509 50.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 60.254 -77.515 50.471 1.00 0.00 H new ATOM 0 HE2 LYS A 27 58.847 -78.397 52.097 1.00 0.00 H new ATOM 0 HE3 LYS A 27 59.519 -77.083 53.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 57.174 -76.938 53.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 57.627 -75.680 52.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 56.939 -77.100 51.557 1.00 0.00 H new ATOM 415 N LEU A 28 60.637 -71.956 48.671 1.00 0.00 N ATOM 416 CA LEU A 28 60.703 -71.149 47.458 1.00 0.00 C ATOM 417 C LEU A 28 61.797 -70.092 47.573 1.00 0.00 C ATOM 418 O LEU A 28 62.378 -69.675 46.571 1.00 0.00 O ATOM 419 CB LEU A 28 59.357 -70.467 47.210 1.00 0.00 C ATOM 420 CG LEU A 28 58.254 -71.524 47.137 1.00 0.00 C ATOM 421 CD1 LEU A 28 56.890 -70.838 47.065 1.00 0.00 C ATOM 422 CD2 LEU A 28 58.458 -72.386 45.888 1.00 0.00 C ATOM 0 H LEU A 28 59.719 -71.983 49.115 1.00 0.00 H new ATOM 0 HA LEU A 28 60.937 -71.807 46.621 1.00 0.00 H new ATOM 0 HB2 LEU A 28 59.144 -69.758 48.010 1.00 0.00 H new ATOM 0 HB3 LEU A 28 59.392 -69.898 46.281 1.00 0.00 H new ATOM 0 HG LEU A 28 58.295 -72.153 48.026 1.00 0.00 H new ATOM 0 HD11 LEU A 28 56.105 -71.593 47.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 56.744 -70.224 47.954 1.00 0.00 H new ATOM 0 HD13 LEU A 28 56.846 -70.207 46.177 1.00 0.00 H new ATOM 0 HD21 LEU A 28 57.673 -73.140 45.834 1.00 0.00 H new ATOM 0 HD22 LEU A 28 58.417 -71.755 45.000 1.00 0.00 H new ATOM 0 HD23 LEU A 28 59.430 -72.877 45.940 1.00 0.00 H new ATOM 434 N ASP A 29 62.073 -69.663 48.800 1.00 0.00 N ATOM 435 CA ASP A 29 63.065 -68.620 49.028 1.00 0.00 C ATOM 436 C ASP A 29 64.432 -69.234 49.316 1.00 0.00 C ATOM 437 O ASP A 29 65.432 -68.865 48.698 1.00 0.00 O ATOM 438 CB ASP A 29 62.640 -67.743 50.206 1.00 0.00 C ATOM 439 CG ASP A 29 61.330 -67.032 49.879 1.00 0.00 C ATOM 440 OD1 ASP A 29 61.108 -66.748 48.714 1.00 0.00 O ATOM 441 OD2 ASP A 29 60.570 -66.780 50.800 1.00 0.00 O ATOM 0 H ASP A 29 61.627 -70.019 49.646 1.00 0.00 H new ATOM 0 HA ASP A 29 63.135 -68.010 48.128 1.00 0.00 H new ATOM 0 HB2 ASP A 29 62.519 -68.354 51.100 1.00 0.00 H new ATOM 0 HB3 ASP A 29 63.417 -67.010 50.424 1.00 0.00 H new ATOM 446 N LYS A 30 64.469 -70.171 50.257 1.00 0.00 N ATOM 447 CA LYS A 30 65.730 -70.770 50.677 1.00 0.00 C ATOM 448 C LYS A 30 65.816 -72.222 50.214 1.00 0.00 C ATOM 449 O LYS A 30 66.901 -72.797 50.142 1.00 0.00 O ATOM 450 CB LYS A 30 65.855 -70.709 52.200 1.00 0.00 C ATOM 451 CG LYS A 30 65.936 -69.249 52.648 1.00 0.00 C ATOM 452 CD LYS A 30 67.389 -68.775 52.593 1.00 0.00 C ATOM 453 CE LYS A 30 67.497 -67.381 53.212 1.00 0.00 C ATOM 454 NZ LYS A 30 68.928 -67.066 53.480 1.00 0.00 N ATOM 0 H LYS A 30 63.646 -70.530 50.741 1.00 0.00 H new ATOM 0 HA LYS A 30 66.546 -70.208 50.223 1.00 0.00 H new ATOM 0 HB2 LYS A 30 64.998 -71.196 52.665 1.00 0.00 H new ATOM 0 HB3 LYS A 30 66.744 -71.250 52.524 1.00 0.00 H new ATOM 0 HG2 LYS A 30 65.315 -68.626 52.005 1.00 0.00 H new ATOM 0 HG3 LYS A 30 65.548 -69.147 53.661 1.00 0.00 H new ATOM 0 HD2 LYS A 30 68.031 -69.473 53.130 1.00 0.00 H new ATOM 0 HD3 LYS A 30 67.736 -68.753 51.560 1.00 0.00 H new ATOM 0 HE2 LYS A 30 67.070 -66.638 52.538 1.00 0.00 H new ATOM 0 HE3 LYS A 30 66.924 -67.337 54.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 69.002 -66.118 53.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 69.321 -67.769 54.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 69.462 -67.091 52.588 1.00 0.00 H new ATOM 468 N HIS A 31 64.664 -72.807 49.901 1.00 0.00 N ATOM 469 CA HIS A 31 64.621 -74.192 49.447 1.00 0.00 C ATOM 470 C HIS A 31 65.035 -75.137 50.570 1.00 0.00 C ATOM 471 O HIS A 31 66.002 -75.888 50.438 1.00 0.00 O ATOM 472 CB HIS A 31 65.556 -74.379 48.252 1.00 0.00 C ATOM 473 CG HIS A 31 65.207 -73.381 47.181 1.00 0.00 C ATOM 474 ND1 HIS A 31 65.466 -72.038 47.059 1.00 0.00 N flip ATOM 475 CD2 HIS A 31 64.494 -73.734 46.047 1.00 0.00 C flip ATOM 476 CE1 HIS A 31 64.923 -71.563 45.869 1.00 0.00 C flip ATOM 477 NE2 HIS A 31 64.349 -72.625 45.298 1.00 0.00 N flip ATOM 0 H HIS A 31 63.755 -72.348 49.953 1.00 0.00 H new ATOM 0 HA HIS A 31 63.599 -74.425 49.149 1.00 0.00 H new ATOM 0 HB2 HIS A 31 66.592 -74.247 48.563 1.00 0.00 H new ATOM 0 HB3 HIS A 31 65.467 -75.393 47.862 1.00 0.00 H new ATOM 0 HD2 HIS A 31 64.122 -74.719 45.808 1.00 0.00 H new ATOM 0 HE1 HIS A 31 64.958 -70.553 45.489 1.00 0.00 H new ATOM 0 HE2 HIS A 31 63.860 -72.599 44.403 1.00 0.00 H new ATOM 485 N ALA A 32 64.295 -75.098 51.673 1.00 0.00 N ATOM 486 CA ALA A 32 64.582 -75.971 52.805 1.00 0.00 C ATOM 487 C ALA A 32 63.657 -77.183 52.794 1.00 0.00 C ATOM 488 O ALA A 32 62.980 -77.449 51.801 1.00 0.00 O ATOM 489 CB ALA A 32 64.404 -75.203 54.116 1.00 0.00 C ATOM 0 H ALA A 32 63.498 -74.476 51.807 1.00 0.00 H new ATOM 0 HA ALA A 32 65.613 -76.314 52.723 1.00 0.00 H new ATOM 0 HB1 ALA A 32 64.620 -75.863 54.956 1.00 0.00 H new ATOM 0 HB2 ALA A 32 65.087 -74.354 54.136 1.00 0.00 H new ATOM 0 HB3 ALA A 32 63.377 -74.844 54.191 1.00 0.00 H new ATOM 495 N ARG A 33 63.633 -77.914 53.903 1.00 0.00 N ATOM 496 CA ARG A 33 62.780 -79.092 54.012 1.00 0.00 C ATOM 497 C ARG A 33 61.350 -78.690 54.356 1.00 0.00 C ATOM 498 O ARG A 33 60.403 -79.086 53.677 1.00 0.00 O ATOM 499 CB ARG A 33 63.322 -80.032 55.091 1.00 0.00 C ATOM 500 CG ARG A 33 64.817 -80.264 54.863 1.00 0.00 C ATOM 501 CD ARG A 33 65.011 -81.437 53.900 1.00 0.00 C ATOM 502 NE ARG A 33 66.320 -81.353 53.261 1.00 0.00 N ATOM 503 CZ ARG A 33 66.577 -80.432 52.339 1.00 0.00 C ATOM 504 NH1 ARG A 33 65.652 -79.582 51.990 1.00 0.00 N ATOM 505 NH2 ARG A 33 67.756 -80.377 51.782 1.00 0.00 N ATOM 0 H ARG A 33 64.190 -77.714 54.734 1.00 0.00 H new ATOM 0 HA ARG A 33 62.779 -79.605 53.050 1.00 0.00 H new ATOM 0 HB2 ARG A 33 63.157 -79.602 56.079 1.00 0.00 H new ATOM 0 HB3 ARG A 33 62.788 -80.982 55.063 1.00 0.00 H new ATOM 0 HG2 ARG A 33 65.277 -79.364 54.454 1.00 0.00 H new ATOM 0 HG3 ARG A 33 65.312 -80.473 55.811 1.00 0.00 H new ATOM 0 HD2 ARG A 33 64.922 -82.379 54.441 1.00 0.00 H new ATOM 0 HD3 ARG A 33 64.227 -81.429 53.143 1.00 0.00 H new ATOM 0 HE ARG A 33 67.051 -82.013 53.527 1.00 0.00 H new ATOM 0 HH11 ARG A 33 64.730 -79.624 52.425 1.00 0.00 H new ATOM 0 HH12 ARG A 33 65.850 -78.875 51.282 1.00 0.00 H new ATOM 0 HH21 ARG A 33 68.480 -81.041 52.055 1.00 0.00 H new ATOM 0 HH22 ARG A 33 67.953 -79.670 51.074 1.00 0.00 H new ATOM 519 N SER A 34 61.201 -77.902 55.415 1.00 0.00 N ATOM 520 CA SER A 34 59.882 -77.431 55.825 1.00 0.00 C ATOM 521 C SER A 34 59.871 -75.912 55.958 1.00 0.00 C ATOM 522 O SER A 34 59.379 -75.206 55.078 1.00 0.00 O ATOM 523 CB SER A 34 59.494 -78.065 57.162 1.00 0.00 C ATOM 524 OG SER A 34 59.052 -79.398 56.939 1.00 0.00 O ATOM 0 H SER A 34 61.970 -77.578 56.001 1.00 0.00 H new ATOM 0 HA SER A 34 59.160 -77.722 55.062 1.00 0.00 H new ATOM 0 HB2 SER A 34 60.347 -78.061 57.841 1.00 0.00 H new ATOM 0 HB3 SER A 34 58.705 -77.483 57.638 1.00 0.00 H new ATOM 0 HG SER A 34 59.112 -79.907 57.774 1.00 0.00 H new ATOM 530 N GLY A 35 60.415 -75.415 57.064 1.00 0.00 N ATOM 531 CA GLY A 35 60.506 -73.975 57.279 1.00 0.00 C ATOM 532 C GLY A 35 59.218 -73.435 57.890 1.00 0.00 C ATOM 533 O GLY A 35 58.633 -72.478 57.383 1.00 0.00 O ATOM 0 H GLY A 35 60.797 -75.983 57.820 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.346 -73.754 57.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 60.702 -73.473 56.331 1.00 0.00 H new ATOM 537 N GLU A 36 58.781 -74.055 58.981 1.00 0.00 N ATOM 538 CA GLU A 36 57.570 -73.618 59.665 1.00 0.00 C ATOM 539 C GLU A 36 57.814 -72.308 60.407 1.00 0.00 C ATOM 540 O GLU A 36 58.960 -71.922 60.644 1.00 0.00 O ATOM 541 CB GLU A 36 57.113 -74.690 60.655 1.00 0.00 C ATOM 542 CG GLU A 36 56.752 -75.968 59.894 1.00 0.00 C ATOM 543 CD GLU A 36 55.532 -75.723 59.013 1.00 0.00 C ATOM 544 OE1 GLU A 36 54.842 -74.746 59.249 1.00 0.00 O ATOM 545 OE2 GLU A 36 55.306 -76.517 58.114 1.00 0.00 O ATOM 0 H GLU A 36 59.244 -74.857 59.408 1.00 0.00 H new ATOM 0 HA GLU A 36 56.793 -73.459 58.918 1.00 0.00 H new ATOM 0 HB2 GLU A 36 57.904 -74.895 61.376 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.251 -74.335 61.220 1.00 0.00 H new ATOM 0 HG2 GLU A 36 57.595 -76.287 59.281 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.547 -76.775 60.598 1.00 0.00 H new ATOM 552 N CYS A 37 56.733 -71.629 60.772 1.00 0.00 N ATOM 553 CA CYS A 37 56.842 -70.348 61.460 1.00 0.00 C ATOM 554 C CYS A 37 56.894 -70.554 62.971 1.00 0.00 C ATOM 555 O CYS A 37 56.295 -71.489 63.500 1.00 0.00 O ATOM 556 CB CYS A 37 55.689 -69.379 61.112 1.00 0.00 C ATOM 557 SG CYS A 37 56.398 -67.799 60.582 1.00 0.00 S ATOM 0 H CYS A 37 55.777 -71.941 60.605 1.00 0.00 H new ATOM 0 HA CYS A 37 57.770 -69.892 61.114 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.068 -69.799 60.321 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.044 -69.232 61.979 1.00 0.00 H new ATOM 562 N PHE A 38 57.617 -69.675 63.658 1.00 0.00 N ATOM 563 CA PHE A 38 57.738 -69.770 65.108 1.00 0.00 C ATOM 564 C PHE A 38 57.517 -68.407 65.756 1.00 0.00 C ATOM 565 O PHE A 38 57.681 -67.370 65.114 1.00 0.00 O ATOM 566 CB PHE A 38 59.125 -70.296 65.483 1.00 0.00 C ATOM 567 CG PHE A 38 59.257 -71.731 65.034 1.00 0.00 C ATOM 568 CD1 PHE A 38 59.398 -72.028 63.672 1.00 0.00 C ATOM 569 CD2 PHE A 38 59.239 -72.765 65.977 1.00 0.00 C ATOM 570 CE1 PHE A 38 59.520 -73.359 63.255 1.00 0.00 C ATOM 571 CE2 PHE A 38 59.362 -74.096 65.560 1.00 0.00 C ATOM 572 CZ PHE A 38 59.502 -74.393 64.200 1.00 0.00 C ATOM 0 H PHE A 38 58.124 -68.896 63.238 1.00 0.00 H new ATOM 0 HA PHE A 38 56.977 -70.460 65.472 1.00 0.00 H new ATOM 0 HB2 PHE A 38 59.896 -69.685 65.015 1.00 0.00 H new ATOM 0 HB3 PHE A 38 59.273 -70.226 66.561 1.00 0.00 H new ATOM 0 HD1 PHE A 38 59.413 -71.230 62.944 1.00 0.00 H new ATOM 0 HD2 PHE A 38 59.130 -72.536 67.027 1.00 0.00 H new ATOM 0 HE1 PHE A 38 59.628 -73.588 62.205 1.00 0.00 H new ATOM 0 HE2 PHE A 38 59.349 -74.893 66.288 1.00 0.00 H new ATOM 0 HZ PHE A 38 59.596 -75.420 63.879 1.00 0.00 H new ATOM 582 N TYR A 39 57.144 -68.417 67.031 1.00 0.00 N ATOM 583 CA TYR A 39 56.884 -67.176 67.752 1.00 0.00 C ATOM 584 C TYR A 39 58.126 -66.730 68.516 1.00 0.00 C ATOM 585 O TYR A 39 58.536 -67.372 69.482 1.00 0.00 O ATOM 586 CB TYR A 39 55.724 -67.373 68.729 1.00 0.00 C ATOM 587 CG TYR A 39 54.434 -67.522 67.958 1.00 0.00 C ATOM 588 CD1 TYR A 39 54.256 -68.609 67.095 1.00 0.00 C ATOM 589 CD2 TYR A 39 53.416 -66.571 68.107 1.00 0.00 C ATOM 590 CE1 TYR A 39 53.059 -68.747 66.380 1.00 0.00 C ATOM 591 CE2 TYR A 39 52.220 -66.710 67.392 1.00 0.00 C ATOM 592 CZ TYR A 39 52.042 -67.797 66.529 1.00 0.00 C ATOM 593 OH TYR A 39 50.862 -67.933 65.825 1.00 0.00 O ATOM 0 H TYR A 39 57.015 -69.265 67.584 1.00 0.00 H new ATOM 0 HA TYR A 39 56.621 -66.405 67.028 1.00 0.00 H new ATOM 0 HB2 TYR A 39 55.898 -68.257 69.342 1.00 0.00 H new ATOM 0 HB3 TYR A 39 55.658 -66.523 69.408 1.00 0.00 H new ATOM 0 HD1 TYR A 39 55.041 -69.342 66.980 1.00 0.00 H new ATOM 0 HD2 TYR A 39 53.554 -65.732 68.773 1.00 0.00 H new ATOM 0 HE1 TYR A 39 52.921 -69.586 65.714 1.00 0.00 H new ATOM 0 HE2 TYR A 39 51.434 -65.978 67.507 1.00 0.00 H new ATOM 0 HH TYR A 39 50.263 -67.189 66.044 1.00 0.00 H new ATOM 603 N ASP A 40 58.721 -65.626 68.075 1.00 0.00 N ATOM 604 CA ASP A 40 59.908 -65.094 68.735 1.00 0.00 C ATOM 605 C ASP A 40 59.519 -64.055 69.781 1.00 0.00 C ATOM 606 O ASP A 40 58.369 -63.996 70.215 1.00 0.00 O ATOM 607 CB ASP A 40 60.839 -64.457 67.701 1.00 0.00 C ATOM 608 CG ASP A 40 61.455 -65.536 66.817 1.00 0.00 C ATOM 609 OD1 ASP A 40 61.207 -66.702 67.080 1.00 0.00 O ATOM 610 OD2 ASP A 40 62.164 -65.182 65.891 1.00 0.00 O ATOM 0 H ASP A 40 58.404 -65.086 67.270 1.00 0.00 H new ATOM 0 HA ASP A 40 60.424 -65.916 69.231 1.00 0.00 H new ATOM 0 HB2 ASP A 40 60.283 -63.747 67.088 1.00 0.00 H new ATOM 0 HB3 ASP A 40 61.626 -63.896 68.205 1.00 0.00 H new ATOM 615 N GLU A 41 60.487 -63.237 70.183 1.00 0.00 N ATOM 616 CA GLU A 41 60.235 -62.203 71.181 1.00 0.00 C ATOM 617 C GLU A 41 59.316 -61.126 70.616 1.00 0.00 C ATOM 618 O GLU A 41 58.471 -60.581 71.326 1.00 0.00 O ATOM 619 CB GLU A 41 61.556 -61.569 71.622 1.00 0.00 C ATOM 620 CG GLU A 41 62.437 -62.631 72.282 1.00 0.00 C ATOM 621 CD GLU A 41 61.802 -63.099 73.587 1.00 0.00 C ATOM 622 OE1 GLU A 41 60.916 -62.413 74.070 1.00 0.00 O ATOM 623 OE2 GLU A 41 62.211 -64.134 74.084 1.00 0.00 O ATOM 0 H GLU A 41 61.446 -63.269 69.836 1.00 0.00 H new ATOM 0 HA GLU A 41 59.749 -62.665 72.040 1.00 0.00 H new ATOM 0 HB2 GLU A 41 62.070 -61.138 70.762 1.00 0.00 H new ATOM 0 HB3 GLU A 41 61.365 -60.754 72.321 1.00 0.00 H new ATOM 0 HG2 GLU A 41 62.567 -63.477 71.608 1.00 0.00 H new ATOM 0 HG3 GLU A 41 63.429 -62.223 72.477 1.00 0.00 H new ATOM 630 N LYS A 42 59.485 -60.823 69.333 1.00 0.00 N ATOM 631 CA LYS A 42 58.661 -59.812 68.681 1.00 0.00 C ATOM 632 C LYS A 42 57.294 -60.387 68.319 1.00 0.00 C ATOM 633 O LYS A 42 56.569 -59.821 67.501 1.00 0.00 O ATOM 634 CB LYS A 42 59.356 -59.308 67.415 1.00 0.00 C ATOM 635 CG LYS A 42 60.689 -58.659 67.788 1.00 0.00 C ATOM 636 CD LYS A 42 61.343 -58.075 66.535 1.00 0.00 C ATOM 637 CE LYS A 42 62.737 -57.551 66.882 1.00 0.00 C ATOM 638 NZ LYS A 42 63.669 -58.700 67.060 1.00 0.00 N ATOM 0 H LYS A 42 60.180 -61.260 68.728 1.00 0.00 H new ATOM 0 HA LYS A 42 58.522 -58.982 69.373 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.523 -60.135 66.725 1.00 0.00 H new ATOM 0 HB3 LYS A 42 58.720 -58.587 66.901 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.529 -57.874 68.527 1.00 0.00 H new ATOM 0 HG3 LYS A 42 61.349 -59.396 68.245 1.00 0.00 H new ATOM 0 HD2 LYS A 42 61.413 -58.838 65.759 1.00 0.00 H new ATOM 0 HD3 LYS A 42 60.729 -57.268 66.134 1.00 0.00 H new ATOM 0 HE2 LYS A 42 63.098 -56.895 66.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 62.697 -56.956 67.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 64.651 -58.357 67.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 63.480 -59.162 67.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 63.528 -59.384 66.290 1.00 0.00 H new ATOM 652 N ARG A 43 56.951 -61.514 68.933 1.00 0.00 N ATOM 653 CA ARG A 43 55.669 -62.158 68.665 1.00 0.00 C ATOM 654 C ARG A 43 55.386 -62.183 67.166 1.00 0.00 C ATOM 655 O ARG A 43 54.244 -62.364 66.743 1.00 0.00 O ATOM 656 CB ARG A 43 54.547 -61.410 69.387 1.00 0.00 C ATOM 657 CG ARG A 43 55.078 -60.838 70.702 1.00 0.00 C ATOM 658 CD ARG A 43 55.325 -61.977 71.692 1.00 0.00 C ATOM 659 NE ARG A 43 56.526 -61.712 72.476 1.00 0.00 N ATOM 660 CZ ARG A 43 56.630 -62.128 73.734 1.00 0.00 C ATOM 661 NH1 ARG A 43 55.647 -62.783 74.288 1.00 0.00 N ATOM 662 NH2 ARG A 43 57.715 -61.879 74.416 1.00 0.00 N ATOM 0 H ARG A 43 57.536 -61.998 69.614 1.00 0.00 H new ATOM 0 HA ARG A 43 55.715 -63.183 69.032 1.00 0.00 H new ATOM 0 HB2 ARG A 43 54.167 -60.607 68.756 1.00 0.00 H new ATOM 0 HB3 ARG A 43 53.713 -62.084 69.582 1.00 0.00 H new ATOM 0 HG2 ARG A 43 56.003 -60.289 70.525 1.00 0.00 H new ATOM 0 HG3 ARG A 43 54.362 -60.129 71.118 1.00 0.00 H new ATOM 0 HD2 ARG A 43 54.466 -62.085 72.354 1.00 0.00 H new ATOM 0 HD3 ARG A 43 55.434 -62.919 71.154 1.00 0.00 H new ATOM 0 HE ARG A 43 57.299 -61.199 72.052 1.00 0.00 H new ATOM 0 HH11 ARG A 43 54.799 -62.976 73.756 1.00 0.00 H new ATOM 0 HH12 ARG A 43 55.727 -63.102 75.253 1.00 0.00 H new ATOM 0 HH21 ARG A 43 58.483 -61.365 73.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 57.795 -62.198 75.381 1.00 0.00 H new ATOM 676 N ASN A 44 56.432 -61.997 66.368 1.00 0.00 N ATOM 677 CA ASN A 44 56.284 -62.006 64.917 1.00 0.00 C ATOM 678 C ASN A 44 56.652 -63.374 64.350 1.00 0.00 C ATOM 679 O ASN A 44 57.811 -63.786 64.401 1.00 0.00 O ATOM 680 CB ASN A 44 57.180 -60.934 64.293 1.00 0.00 C ATOM 681 CG ASN A 44 58.638 -61.379 64.347 1.00 0.00 C ATOM 682 OD1 ASN A 44 59.076 -61.955 65.343 1.00 0.00 O ATOM 683 ND2 ASN A 44 59.421 -61.143 63.330 1.00 0.00 N ATOM 0 H ASN A 44 57.384 -61.839 66.698 1.00 0.00 H new ATOM 0 HA ASN A 44 55.243 -61.793 64.675 1.00 0.00 H new ATOM 0 HB2 ASN A 44 56.883 -60.756 63.259 1.00 0.00 H new ATOM 0 HB3 ASN A 44 57.059 -59.991 64.826 1.00 0.00 H new ATOM 0 HD21 ASN A 44 60.398 -61.436 63.359 1.00 0.00 H new ATOM 0 HD22 ASN A 44 59.056 -60.666 62.506 1.00 0.00 H new ATOM 690 N LEU A 45 55.658 -64.072 63.809 1.00 0.00 N ATOM 691 CA LEU A 45 55.890 -65.391 63.233 1.00 0.00 C ATOM 692 C LEU A 45 57.095 -65.364 62.298 1.00 0.00 C ATOM 693 O LEU A 45 57.133 -64.589 61.342 1.00 0.00 O ATOM 694 CB LEU A 45 54.652 -65.849 62.460 1.00 0.00 C ATOM 695 CG LEU A 45 53.392 -65.362 63.178 1.00 0.00 C ATOM 696 CD1 LEU A 45 52.154 -65.918 62.472 1.00 0.00 C ATOM 697 CD2 LEU A 45 53.412 -65.851 64.628 1.00 0.00 C ATOM 0 H LEU A 45 54.692 -63.749 63.758 1.00 0.00 H new ATOM 0 HA LEU A 45 56.090 -66.090 64.045 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.679 -65.456 61.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 54.641 -66.936 62.381 1.00 0.00 H new ATOM 0 HG LEU A 45 53.362 -64.273 63.160 1.00 0.00 H new ATOM 0 HD11 LEU A 45 51.257 -65.571 62.984 1.00 0.00 H new ATOM 0 HD12 LEU A 45 52.139 -65.573 61.438 1.00 0.00 H new ATOM 0 HD13 LEU A 45 52.183 -67.007 62.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 52.515 -65.505 65.141 1.00 0.00 H new ATOM 0 HD22 LEU A 45 53.442 -66.940 64.644 1.00 0.00 H new ATOM 0 HD23 LEU A 45 54.294 -65.456 65.133 1.00 0.00 H new ATOM 709 N GLN A 46 58.076 -66.213 62.580 1.00 0.00 N ATOM 710 CA GLN A 46 59.272 -66.288 61.748 1.00 0.00 C ATOM 711 C GLN A 46 59.462 -67.701 61.207 1.00 0.00 C ATOM 712 O GLN A 46 59.397 -68.676 61.957 1.00 0.00 O ATOM 713 CB GLN A 46 60.501 -65.882 62.563 1.00 0.00 C ATOM 714 CG GLN A 46 60.176 -64.638 63.393 1.00 0.00 C ATOM 715 CD GLN A 46 61.461 -63.893 63.742 1.00 0.00 C ATOM 716 OE1 GLN A 46 61.391 -62.737 64.344 1.00 0.00 O flip ATOM 717 NE2 GLN A 46 62.557 -64.378 63.461 1.00 0.00 N flip ATOM 0 H GLN A 46 58.068 -66.855 63.372 1.00 0.00 H new ATOM 0 HA GLN A 46 59.150 -65.604 60.908 1.00 0.00 H new ATOM 0 HB2 GLN A 46 60.803 -66.700 63.217 1.00 0.00 H new ATOM 0 HB3 GLN A 46 61.341 -65.679 61.898 1.00 0.00 H new ATOM 0 HG2 GLN A 46 59.506 -63.983 62.835 1.00 0.00 H new ATOM 0 HG3 GLN A 46 59.654 -64.926 64.305 1.00 0.00 H new ATOM 0 HE21 GLN A 46 62.609 -65.282 62.991 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.413 -63.876 63.699 1.00 0.00 H new ATOM 726 N CYS A 47 59.695 -67.804 59.904 1.00 0.00 N ATOM 727 CA CYS A 47 59.895 -69.104 59.273 1.00 0.00 C ATOM 728 C CYS A 47 61.309 -69.615 59.535 1.00 0.00 C ATOM 729 O CYS A 47 62.290 -68.946 59.211 1.00 0.00 O ATOM 730 CB CYS A 47 59.647 -69.009 57.768 1.00 0.00 C ATOM 731 SG CYS A 47 57.875 -68.842 57.445 1.00 0.00 S ATOM 0 H CYS A 47 59.750 -67.009 59.267 1.00 0.00 H new ATOM 0 HA CYS A 47 59.183 -69.807 59.705 1.00 0.00 H new ATOM 0 HB2 CYS A 47 60.183 -68.154 57.356 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.034 -69.898 57.270 1.00 0.00 H new ATOM 736 N ILE A 48 61.404 -70.804 60.121 1.00 0.00 N ATOM 737 CA ILE A 48 62.703 -71.391 60.428 1.00 0.00 C ATOM 738 C ILE A 48 63.038 -72.500 59.437 1.00 0.00 C ATOM 739 O ILE A 48 62.700 -73.664 59.654 1.00 0.00 O ATOM 740 CB ILE A 48 62.697 -71.960 61.848 1.00 0.00 C ATOM 741 CG1 ILE A 48 62.473 -70.826 62.851 1.00 0.00 C ATOM 742 CG2 ILE A 48 64.039 -72.634 62.134 1.00 0.00 C ATOM 743 CD1 ILE A 48 62.441 -71.397 64.270 1.00 0.00 C ATOM 0 H ILE A 48 60.604 -71.376 60.391 1.00 0.00 H new ATOM 0 HA ILE A 48 63.460 -70.610 60.352 1.00 0.00 H new ATOM 0 HB ILE A 48 61.895 -72.693 61.942 1.00 0.00 H new ATOM 0 HG12 ILE A 48 63.269 -70.086 62.763 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.536 -70.313 62.633 1.00 0.00 H new ATOM 0 HG21 ILE A 48 64.034 -73.039 63.146 1.00 0.00 H new ATOM 0 HG22 ILE A 48 64.200 -73.442 61.420 1.00 0.00 H new ATOM 0 HG23 ILE A 48 64.841 -71.902 62.040 1.00 0.00 H new ATOM 0 HD11 ILE A 48 62.281 -70.589 64.984 1.00 0.00 H new ATOM 0 HD12 ILE A 48 61.630 -72.120 64.353 1.00 0.00 H new ATOM 0 HD13 ILE A 48 63.389 -71.890 64.485 1.00 0.00 H new ATOM 755 N CYS A 49 63.704 -72.130 58.347 1.00 0.00 N ATOM 756 CA CYS A 49 64.084 -73.104 57.330 1.00 0.00 C ATOM 757 C CYS A 49 65.007 -74.165 57.921 1.00 0.00 C ATOM 758 O CYS A 49 66.139 -73.871 58.304 1.00 0.00 O ATOM 759 CB CYS A 49 64.805 -72.402 56.173 1.00 0.00 C ATOM 760 SG CYS A 49 63.708 -72.215 54.745 1.00 0.00 S ATOM 0 H CYS A 49 63.989 -71.171 58.147 1.00 0.00 H new ATOM 0 HA CYS A 49 63.177 -73.583 56.962 1.00 0.00 H new ATOM 0 HB2 CYS A 49 65.155 -71.422 56.498 1.00 0.00 H new ATOM 0 HB3 CYS A 49 65.686 -72.976 55.887 1.00 0.00 H new ATOM 765 N ASP A 50 64.515 -75.398 57.991 1.00 0.00 N ATOM 766 CA ASP A 50 65.304 -76.494 58.540 1.00 0.00 C ATOM 767 C ASP A 50 65.859 -77.368 57.419 1.00 0.00 C ATOM 768 O ASP A 50 65.104 -77.997 56.678 1.00 0.00 O ATOM 769 CB ASP A 50 64.441 -77.344 59.473 1.00 0.00 C ATOM 770 CG ASP A 50 63.274 -77.948 58.699 1.00 0.00 C ATOM 771 OD1 ASP A 50 63.460 -78.257 57.534 1.00 0.00 O ATOM 772 OD2 ASP A 50 62.213 -78.091 59.283 1.00 0.00 O ATOM 0 H ASP A 50 63.581 -75.662 57.677 1.00 0.00 H new ATOM 0 HA ASP A 50 66.137 -76.071 59.102 1.00 0.00 H new ATOM 0 HB2 ASP A 50 65.043 -78.137 59.917 1.00 0.00 H new ATOM 0 HB3 ASP A 50 64.066 -76.732 60.293 1.00 0.00 H new ATOM 777 N TYR A 51 67.182 -77.400 57.301 1.00 0.00 N ATOM 778 CA TYR A 51 67.829 -78.235 56.294 1.00 0.00 C ATOM 779 C TYR A 51 68.242 -79.575 56.894 1.00 0.00 C ATOM 780 O TYR A 51 69.423 -79.925 56.903 1.00 0.00 O ATOM 781 CB TYR A 51 69.062 -77.520 55.739 1.00 0.00 C ATOM 782 CG TYR A 51 68.626 -76.408 54.815 1.00 0.00 C ATOM 783 CD1 TYR A 51 68.300 -75.151 55.339 1.00 0.00 C ATOM 784 CD2 TYR A 51 68.549 -76.633 53.436 1.00 0.00 C ATOM 785 CE1 TYR A 51 67.896 -74.120 54.484 1.00 0.00 C ATOM 786 CE2 TYR A 51 68.145 -75.601 52.580 1.00 0.00 C ATOM 787 CZ TYR A 51 67.819 -74.345 53.104 1.00 0.00 C ATOM 788 OH TYR A 51 67.420 -73.328 52.260 1.00 0.00 O ATOM 0 H TYR A 51 67.823 -76.863 57.884 1.00 0.00 H new ATOM 0 HA TYR A 51 67.119 -78.415 55.487 1.00 0.00 H new ATOM 0 HB2 TYR A 51 69.659 -77.115 56.556 1.00 0.00 H new ATOM 0 HB3 TYR A 51 69.694 -78.227 55.202 1.00 0.00 H new ATOM 0 HD1 TYR A 51 68.360 -74.977 56.403 1.00 0.00 H new ATOM 0 HD2 TYR A 51 68.801 -77.602 53.032 1.00 0.00 H new ATOM 0 HE1 TYR A 51 67.644 -73.151 54.888 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.085 -75.774 51.516 1.00 0.00 H new ATOM 0 HH TYR A 51 67.304 -73.682 51.354 1.00 0.00 H new ATOM 798 N CYS A 52 67.262 -80.322 57.392 1.00 0.00 N ATOM 799 CA CYS A 52 67.541 -81.605 58.027 1.00 0.00 C ATOM 800 C CYS A 52 66.251 -82.389 58.244 1.00 0.00 C ATOM 801 O CYS A 52 65.174 -81.959 57.828 1.00 0.00 O ATOM 802 CB CYS A 52 68.236 -81.381 59.372 1.00 0.00 C ATOM 803 SG CYS A 52 70.014 -81.174 59.105 1.00 0.00 S ATOM 0 H CYS A 52 66.275 -80.064 57.369 1.00 0.00 H new ATOM 0 HA CYS A 52 68.195 -82.179 57.370 1.00 0.00 H new ATOM 0 HB2 CYS A 52 67.826 -80.498 59.863 1.00 0.00 H new ATOM 0 HB3 CYS A 52 68.053 -82.228 60.034 1.00 0.00 H new ATOM 808 N GLU A 53 66.366 -83.541 58.897 1.00 0.00 N ATOM 809 CA GLU A 53 65.201 -84.376 59.165 1.00 0.00 C ATOM 810 C GLU A 53 64.698 -84.156 60.588 1.00 0.00 C ATOM 811 O GLU A 53 64.969 -84.957 61.482 1.00 0.00 O ATOM 812 CB GLU A 53 65.559 -85.850 58.970 1.00 0.00 C ATOM 813 CG GLU A 53 66.001 -86.081 57.524 1.00 0.00 C ATOM 814 CD GLU A 53 64.829 -85.853 56.577 1.00 0.00 C ATOM 815 OE1 GLU A 53 63.705 -85.835 57.052 1.00 0.00 O ATOM 816 OE2 GLU A 53 65.072 -85.698 55.392 1.00 0.00 O ATOM 0 H GLU A 53 67.247 -83.915 59.248 1.00 0.00 H new ATOM 0 HA GLU A 53 64.411 -84.099 58.467 1.00 0.00 H new ATOM 0 HB2 GLU A 53 66.357 -86.135 59.655 1.00 0.00 H new ATOM 0 HB3 GLU A 53 64.699 -86.478 59.203 1.00 0.00 H new ATOM 0 HG2 GLU A 53 66.819 -85.405 57.273 1.00 0.00 H new ATOM 0 HG3 GLU A 53 66.380 -87.097 57.409 1.00 0.00 H new ATOM 823 N TYR A 54 63.968 -83.065 60.791 1.00 0.00 N ATOM 824 CA TYR A 54 63.425 -82.755 62.108 1.00 0.00 C ATOM 825 C TYR A 54 62.329 -83.746 62.484 1.00 0.00 C ATOM 826 CB TYR A 54 62.857 -81.335 62.118 1.00 0.00 C ATOM 827 CG TYR A 54 61.633 -81.276 61.236 1.00 0.00 C ATOM 828 CD1 TYR A 54 61.764 -80.965 59.877 1.00 0.00 C ATOM 829 CD2 TYR A 54 60.367 -81.531 61.776 1.00 0.00 C ATOM 830 CE1 TYR A 54 60.629 -80.910 59.059 1.00 0.00 C ATOM 831 CE2 TYR A 54 59.232 -81.477 60.959 1.00 0.00 C ATOM 832 CZ TYR A 54 59.363 -81.167 59.599 1.00 0.00 C ATOM 833 OH TYR A 54 58.244 -81.113 58.793 1.00 0.00 O ATOM 0 H TYR A 54 63.740 -82.385 60.066 1.00 0.00 H new ATOM 0 HA TYR A 54 64.231 -82.829 62.838 1.00 0.00 H new ATOM 0 HB2 TYR A 54 62.599 -81.042 63.136 1.00 0.00 H new ATOM 0 HB3 TYR A 54 63.608 -80.629 61.764 1.00 0.00 H new ATOM 0 HD1 TYR A 54 62.740 -80.768 59.460 1.00 0.00 H new ATOM 0 HD2 TYR A 54 60.266 -81.770 62.824 1.00 0.00 H new ATOM 0 HE1 TYR A 54 60.730 -80.669 58.011 1.00 0.00 H new ATOM 0 HE2 TYR A 54 58.256 -81.674 61.377 1.00 0.00 H new ATOM 0 HH TYR A 54 57.447 -81.318 59.325 1.00 0.00 H new