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 40 LYS NZ :NH3+ -178:sc= 0.0366 (180deg=0) USER MOD Set 1.2: A 46 GLN : amide:sc= -1.15 K(o=-1.1,f=-7.4!) USER MOD Set 2.1: A 8 TYR OH : rot 15:sc= -0.923 USER MOD Set 2.2: A 11 TYR OH : rot 63:sc= -1.12 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD Single : A 14 SER OG : rot 180:sc= 0 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= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 21 GLN : amide:sc= -1.68 K(o=-1.7,f=-7.2!) USER MOD Single : A 23 ASN : amide:sc= 0.343 K(o=0.34,f=-5.9!) 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= -0.0986 X(o=-0.099,f=-0.011) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.18) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.754 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.334 5.441 -6.519 1.00 0.00 N ATOM 63 CA LYS A 5 8.349 5.466 -7.977 1.00 0.00 C ATOM 64 C LYS A 5 6.963 5.173 -8.540 1.00 0.00 C ATOM 65 O LYS A 5 6.225 4.345 -8.005 1.00 0.00 O ATOM 66 CB LYS A 5 9.356 4.445 -8.514 1.00 0.00 C ATOM 67 CG LYS A 5 10.804 4.826 -8.259 1.00 0.00 C ATOM 68 CD LYS A 5 11.744 4.119 -9.220 1.00 0.00 C ATOM 69 CE LYS A 5 12.895 3.451 -8.483 1.00 0.00 C ATOM 70 NZ LYS A 5 13.971 3.015 -9.414 1.00 0.00 N ATOM 0 HA LYS A 5 8.648 6.465 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.158 3.476 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.204 4.327 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.921 5.905 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.073 4.573 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.191 3.371 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.139 4.837 -9.939 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.308 4.144 -7.750 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.521 2.589 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.737 2.565 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.583 2.334 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.346 3.841 -9.923 1.00 0.00 H new ATOM 84 N LYS A 6 6.614 5.857 -9.625 1.00 0.00 N ATOM 85 CA LYS A 6 5.316 5.669 -10.264 1.00 0.00 C ATOM 86 C LYS A 6 5.479 5.408 -11.758 1.00 0.00 C ATOM 87 O LYS A 6 6.274 6.064 -12.430 1.00 0.00 O ATOM 88 CB LYS A 6 4.433 6.899 -10.043 1.00 0.00 C ATOM 89 CG LYS A 6 3.548 6.800 -8.813 1.00 0.00 C ATOM 90 CD LYS A 6 3.962 7.800 -7.746 1.00 0.00 C ATOM 91 CE LYS A 6 2.759 8.333 -6.985 1.00 0.00 C ATOM 92 NZ LYS A 6 3.056 9.629 -6.314 1.00 0.00 N ATOM 0 H LYS A 6 7.212 6.547 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 6 4.838 4.801 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.068 7.780 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.805 7.047 -10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.510 6.977 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.600 5.790 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.653 7.325 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.496 8.629 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.923 8.463 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.448 7.601 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.210 9.959 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.837 9.500 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.328 10.335 -7.027 1.00 0.00 H new ATOM 106 N VAL A 7 4.718 4.446 -12.272 1.00 0.00 N ATOM 107 CA VAL A 7 4.776 4.100 -13.687 1.00 0.00 C ATOM 108 C VAL A 7 4.041 5.132 -14.535 1.00 0.00 C ATOM 109 O VAL A 7 2.947 5.575 -14.183 1.00 0.00 O ATOM 110 CB VAL A 7 4.170 2.709 -13.950 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.749 2.635 -13.411 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.202 2.386 -15.436 1.00 0.00 C ATOM 0 H VAL A 7 4.055 3.893 -11.729 1.00 0.00 H new ATOM 0 HA VAL A 7 5.829 4.087 -13.967 1.00 0.00 H new ATOM 0 HB VAL A 7 4.771 1.965 -13.427 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.337 1.645 -13.606 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.757 2.820 -12.337 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.133 3.388 -13.904 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.770 1.399 -15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.626 3.132 -15.983 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.234 2.395 -15.788 1.00 0.00 H new ATOM 122 N TYR A 8 4.648 5.510 -15.655 1.00 0.00 N ATOM 123 CA TYR A 8 4.052 6.491 -16.553 1.00 0.00 C ATOM 124 C TYR A 8 2.931 5.865 -17.378 1.00 0.00 C ATOM 125 O TYR A 8 3.038 4.723 -17.823 1.00 0.00 O ATOM 126 CB TYR A 8 5.117 7.076 -17.482 1.00 0.00 C ATOM 127 CG TYR A 8 5.051 8.582 -17.605 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.909 9.210 -18.085 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.132 9.376 -17.241 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.845 10.585 -18.200 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.076 10.752 -17.351 1.00 0.00 C ATOM 132 CZ TYR A 8 4.931 11.352 -17.832 1.00 0.00 C ATOM 133 OH TYR A 8 4.871 12.722 -17.944 1.00 0.00 O ATOM 0 H TYR A 8 5.552 5.152 -15.962 1.00 0.00 H new ATOM 0 HA TYR A 8 3.629 7.291 -15.946 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.103 6.793 -17.115 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.006 6.634 -18.472 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.056 8.613 -18.373 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.031 8.910 -16.866 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.949 11.057 -18.576 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.924 11.355 -17.062 1.00 0.00 H new ATOM 0 HH TYR A 8 3.939 13.000 -18.065 1.00 0.00 H new ATOM 143 N GLU A 9 1.857 6.622 -17.577 1.00 0.00 N ATOM 144 CA GLU A 9 0.716 6.142 -18.347 1.00 0.00 C ATOM 145 C GLU A 9 1.176 5.455 -19.630 1.00 0.00 C ATOM 146 O GLU A 9 0.839 4.300 -19.883 1.00 0.00 O ATOM 147 CB GLU A 9 -0.224 7.302 -18.685 1.00 0.00 C ATOM 148 CG GLU A 9 -1.413 7.415 -17.746 1.00 0.00 C ATOM 149 CD GLU A 9 -2.730 7.543 -18.486 1.00 0.00 C ATOM 150 OE1 GLU A 9 -3.012 8.640 -19.012 1.00 0.00 O ATOM 151 OE2 GLU A 9 -3.479 6.545 -18.540 1.00 0.00 O ATOM 0 H GLU A 9 1.753 7.570 -17.216 1.00 0.00 H new ATOM 0 HA GLU A 9 0.179 5.415 -17.738 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.339 8.235 -18.658 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.588 7.178 -19.705 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.447 6.537 -17.101 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.279 8.281 -17.098 1.00 0.00 H new ATOM 158 N ASN A 10 1.948 6.177 -20.436 1.00 0.00 N ATOM 159 CA ASN A 10 2.454 5.638 -21.694 1.00 0.00 C ATOM 160 C ASN A 10 3.634 6.461 -22.202 1.00 0.00 C ATOM 161 O ASN A 10 3.489 7.640 -22.526 1.00 0.00 O ATOM 162 CB ASN A 10 1.344 5.615 -22.746 1.00 0.00 C ATOM 163 CG ASN A 10 0.471 4.379 -22.639 1.00 0.00 C ATOM 164 OD1 ASN A 10 0.880 3.283 -23.022 1.00 0.00 O ATOM 165 ND2 ASN A 10 -0.737 4.551 -22.117 1.00 0.00 N ATOM 0 H ASN A 10 2.237 7.136 -20.241 1.00 0.00 H new ATOM 0 HA ASN A 10 2.795 4.619 -21.513 1.00 0.00 H new ATOM 0 HB2 ASN A 10 0.724 6.505 -22.636 1.00 0.00 H new ATOM 0 HB3 ASN A 10 1.789 5.657 -23.740 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.369 3.756 -22.020 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -1.034 5.478 -21.813 1.00 0.00 H new ATOM 172 N TYR A 11 4.802 5.830 -22.269 1.00 0.00 N ATOM 173 CA TYR A 11 6.008 6.503 -22.736 1.00 0.00 C ATOM 174 C TYR A 11 6.638 5.746 -23.901 1.00 0.00 C ATOM 175 O TYR A 11 6.421 4.548 -24.087 1.00 0.00 O ATOM 176 CB TYR A 11 7.017 6.637 -21.594 1.00 0.00 C ATOM 177 CG TYR A 11 7.190 8.057 -21.103 1.00 0.00 C ATOM 178 CD1 TYR A 11 6.094 8.894 -20.937 1.00 0.00 C ATOM 179 CD2 TYR A 11 8.450 8.561 -20.805 1.00 0.00 C ATOM 180 CE1 TYR A 11 6.247 10.192 -20.489 1.00 0.00 C ATOM 181 CE2 TYR A 11 8.613 9.857 -20.354 1.00 0.00 C ATOM 182 CZ TYR A 11 7.508 10.668 -20.199 1.00 0.00 C ATOM 183 OH TYR A 11 7.666 11.960 -19.752 1.00 0.00 O ATOM 0 H TYR A 11 4.939 4.854 -22.006 1.00 0.00 H new ATOM 0 HA TYR A 11 5.728 7.498 -23.083 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.697 6.010 -20.762 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.983 6.256 -21.927 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.105 8.524 -21.162 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.317 7.929 -20.928 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.384 10.830 -20.367 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.599 10.233 -20.124 1.00 0.00 H new ATOM 0 HH TYR A 11 7.203 12.069 -18.895 1.00 0.00 H new ATOM 193 N PRO A 12 7.440 6.460 -24.705 1.00 0.00 N ATOM 194 CA PRO A 12 8.120 5.876 -25.865 1.00 0.00 C ATOM 195 C PRO A 12 9.225 4.906 -25.462 1.00 0.00 C ATOM 196 O PRO A 12 10.159 5.275 -24.750 1.00 0.00 O ATOM 197 CB PRO A 12 8.712 7.095 -26.579 1.00 0.00 C ATOM 198 CG PRO A 12 8.875 8.118 -25.509 1.00 0.00 C ATOM 199 CD PRO A 12 7.744 7.891 -24.543 1.00 0.00 C ATOM 0 HA PRO A 12 7.440 5.290 -26.484 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.667 6.855 -27.046 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.051 7.451 -27.369 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.840 8.013 -25.012 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.838 9.125 -25.923 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.036 8.126 -23.520 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.882 8.514 -24.780 1.00 0.00 H new ATOM 207 N VAL A 13 9.113 3.664 -25.922 1.00 0.00 N ATOM 208 CA VAL A 13 10.104 2.641 -25.610 1.00 0.00 C ATOM 209 C VAL A 13 11.441 2.951 -26.273 1.00 0.00 C ATOM 210 O VAL A 13 12.501 2.612 -25.746 1.00 0.00 O ATOM 211 CB VAL A 13 9.631 1.246 -26.060 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.722 0.212 -25.829 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.353 0.857 -25.332 1.00 0.00 C ATOM 0 H VAL A 13 8.346 3.342 -26.512 1.00 0.00 H new ATOM 0 HA VAL A 13 10.230 2.642 -24.527 1.00 0.00 H new ATOM 0 HB VAL A 13 9.417 1.281 -27.128 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.370 -0.767 -26.153 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.609 0.485 -26.400 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.970 0.176 -24.768 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.033 -0.131 -25.662 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.537 0.839 -24.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.572 1.584 -25.554 1.00 0.00 H new ATOM 223 N SER A 14 11.385 3.597 -27.434 1.00 0.00 N ATOM 224 CA SER A 14 12.592 3.950 -28.172 1.00 0.00 C ATOM 225 C SER A 14 13.408 4.991 -27.412 1.00 0.00 C ATOM 226 O SER A 14 14.600 4.803 -27.165 1.00 0.00 O ATOM 227 CB SER A 14 12.229 4.484 -29.559 1.00 0.00 C ATOM 228 OG SER A 14 11.823 3.433 -30.419 1.00 0.00 O ATOM 0 H SER A 14 10.516 3.886 -27.883 1.00 0.00 H new ATOM 0 HA SER A 14 13.197 3.050 -28.283 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.427 5.217 -29.472 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.087 5.000 -29.990 1.00 0.00 H new ATOM 0 HG SER A 14 11.595 3.800 -31.299 1.00 0.00 H new ATOM 234 N LYS A 15 12.758 6.089 -27.043 1.00 0.00 N ATOM 235 CA LYS A 15 13.421 7.161 -26.310 1.00 0.00 C ATOM 236 C LYS A 15 13.792 6.709 -24.901 1.00 0.00 C ATOM 237 O LYS A 15 14.667 7.291 -24.261 1.00 0.00 O ATOM 238 CB LYS A 15 12.517 8.394 -26.239 1.00 0.00 C ATOM 239 CG LYS A 15 12.508 9.215 -27.517 1.00 0.00 C ATOM 240 CD LYS A 15 11.601 10.428 -27.394 1.00 0.00 C ATOM 241 CE LYS A 15 12.075 11.570 -28.280 1.00 0.00 C ATOM 242 NZ LYS A 15 10.942 12.235 -28.981 1.00 0.00 N ATOM 0 H LYS A 15 11.772 6.260 -27.240 1.00 0.00 H new ATOM 0 HA LYS A 15 14.336 7.419 -26.843 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.499 8.076 -26.014 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.843 9.026 -25.413 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.522 9.540 -27.749 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.175 8.593 -28.348 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.583 10.152 -27.668 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.573 10.759 -26.356 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.607 12.303 -27.674 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.784 11.189 -29.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.306 13.007 -29.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.449 11.542 -29.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.278 12.621 -28.280 1.00 0.00 H new ATOM 256 N CYS A 16 13.121 5.665 -24.424 1.00 0.00 N ATOM 257 CA CYS A 16 13.380 5.133 -23.091 1.00 0.00 C ATOM 258 C CYS A 16 14.811 4.617 -22.980 1.00 0.00 C ATOM 259 O CYS A 16 15.405 4.634 -21.903 1.00 0.00 O ATOM 260 CB CYS A 16 12.394 4.009 -22.768 1.00 0.00 C ATOM 261 SG CYS A 16 11.625 4.144 -21.122 1.00 0.00 S ATOM 0 H CYS A 16 12.394 5.171 -24.941 1.00 0.00 H new ATOM 0 HA CYS A 16 13.248 5.941 -22.372 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.609 4.000 -23.524 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.914 3.053 -22.837 1.00 0.00 H new ATOM 266 N GLN A 17 15.359 4.161 -24.102 1.00 0.00 N ATOM 267 CA GLN A 17 16.720 3.640 -24.131 1.00 0.00 C ATOM 268 C GLN A 17 17.694 4.628 -23.497 1.00 0.00 C ATOM 269 O GLN A 17 18.733 4.236 -22.964 1.00 0.00 O ATOM 270 CB GLN A 17 17.144 3.339 -25.569 1.00 0.00 C ATOM 271 CG GLN A 17 17.399 1.863 -25.832 1.00 0.00 C ATOM 272 CD GLN A 17 17.632 1.564 -27.300 1.00 0.00 C ATOM 273 OE1 GLN A 17 18.773 1.452 -27.749 1.00 0.00 O ATOM 274 NE2 GLN A 17 16.549 1.432 -28.057 1.00 0.00 N ATOM 0 H GLN A 17 14.881 4.142 -25.003 1.00 0.00 H new ATOM 0 HA GLN A 17 16.740 2.716 -23.554 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.369 3.692 -26.249 1.00 0.00 H new ATOM 0 HB3 GLN A 17 18.049 3.902 -25.798 1.00 0.00 H new ATOM 0 HG2 GLN A 17 18.267 1.540 -25.257 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.548 1.282 -25.477 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.622 1.533 -27.643 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.644 1.230 -29.052 1.00 0.00 H new ATOM 283 N LEU A 18 17.353 5.910 -23.559 1.00 0.00 N ATOM 284 CA LEU A 18 18.197 6.955 -22.992 1.00 0.00 C ATOM 285 C LEU A 18 17.698 7.369 -21.611 1.00 0.00 C ATOM 286 O LEU A 18 16.581 7.865 -21.468 1.00 0.00 O ATOM 287 CB LEU A 18 18.232 8.170 -23.920 1.00 0.00 C ATOM 288 CG LEU A 18 18.593 7.890 -25.379 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.379 9.132 -26.230 1.00 0.00 C ATOM 290 CD2 LEU A 18 20.032 7.408 -25.489 1.00 0.00 C ATOM 0 H LEU A 18 16.497 6.251 -23.997 1.00 0.00 H new ATOM 0 HA LEU A 18 19.206 6.556 -22.889 1.00 0.00 H new ATOM 0 HB2 LEU A 18 17.254 8.650 -23.894 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.949 8.887 -23.520 1.00 0.00 H new ATOM 0 HG LEU A 18 17.937 7.103 -25.751 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.641 8.913 -27.265 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.333 9.434 -26.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.009 9.940 -25.859 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.272 7.214 -26.534 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.703 8.174 -25.099 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.154 6.491 -24.912 1.00 0.00 H new ATOM 302 N ALA A 19 18.534 7.165 -20.599 1.00 0.00 N ATOM 303 CA ALA A 19 18.179 7.521 -19.231 1.00 0.00 C ATOM 304 C ALA A 19 17.964 9.024 -19.093 1.00 0.00 C ATOM 305 O ALA A 19 17.110 9.471 -18.329 1.00 0.00 O ATOM 306 CB ALA A 19 19.257 7.049 -18.266 1.00 0.00 C ATOM 0 H ALA A 19 19.462 6.755 -20.701 1.00 0.00 H new ATOM 0 HA ALA A 19 17.242 7.022 -18.984 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.979 7.322 -17.248 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.360 5.966 -18.336 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.206 7.521 -18.521 1.00 0.00 H new ATOM 312 N ASN A 20 18.745 9.800 -19.838 1.00 0.00 N ATOM 313 CA ASN A 20 18.641 11.254 -19.798 1.00 0.00 C ATOM 314 C ASN A 20 17.279 11.716 -20.306 1.00 0.00 C ATOM 315 O ASN A 20 16.840 12.827 -20.011 1.00 0.00 O ATOM 316 CB ASN A 20 19.752 11.889 -20.636 1.00 0.00 C ATOM 317 CG ASN A 20 21.063 11.133 -20.526 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.611 10.671 -21.527 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.571 11.005 -19.306 1.00 0.00 N ATOM 0 H ASN A 20 19.457 9.446 -20.477 1.00 0.00 H new ATOM 0 HA ASN A 20 18.750 11.573 -18.761 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.442 11.923 -21.680 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.902 12.920 -20.315 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.451 10.507 -19.170 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.082 11.405 -18.505 1.00 0.00 H new ATOM 326 N GLN A 21 16.615 10.854 -21.070 1.00 0.00 N ATOM 327 CA GLN A 21 15.303 11.175 -21.619 1.00 0.00 C ATOM 328 C GLN A 21 14.208 10.949 -20.581 1.00 0.00 C ATOM 329 O GLN A 21 13.475 11.872 -20.226 1.00 0.00 O ATOM 330 CB GLN A 21 15.026 10.327 -22.862 1.00 0.00 C ATOM 331 CG GLN A 21 15.435 11.001 -24.162 1.00 0.00 C ATOM 332 CD GLN A 21 14.288 11.739 -24.823 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.900 11.425 -25.949 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.736 12.725 -24.126 1.00 0.00 N ATOM 0 H GLN A 21 16.964 9.929 -21.322 1.00 0.00 H new ATOM 0 HA GLN A 21 15.302 12.229 -21.898 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.557 9.380 -22.771 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.962 10.093 -22.903 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.246 11.701 -23.964 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.823 10.250 -24.850 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.089 12.952 -23.196 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.959 13.256 -24.520 1.00 0.00 H new ATOM 343 N CYS A 22 14.103 9.715 -20.099 1.00 0.00 N ATOM 344 CA CYS A 22 13.098 9.366 -19.102 1.00 0.00 C ATOM 345 C CYS A 22 13.150 10.328 -17.918 1.00 0.00 C ATOM 346 O CYS A 22 12.118 10.796 -17.440 1.00 0.00 O ATOM 347 CB CYS A 22 13.308 7.931 -18.616 1.00 0.00 C ATOM 348 SG CYS A 22 11.775 7.086 -18.110 1.00 0.00 S ATOM 0 H CYS A 22 14.702 8.940 -20.383 1.00 0.00 H new ATOM 0 HA CYS A 22 12.116 9.444 -19.569 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.782 7.355 -19.411 1.00 0.00 H new ATOM 0 HB3 CYS A 22 14.000 7.941 -17.774 1.00 0.00 H new ATOM 353 N ASN A 23 14.360 10.618 -17.450 1.00 0.00 N ATOM 354 CA ASN A 23 14.547 11.523 -16.322 1.00 0.00 C ATOM 355 C ASN A 23 14.132 12.944 -16.691 1.00 0.00 C ATOM 356 O ASN A 23 13.322 13.564 -16.001 1.00 0.00 O ATOM 357 CB ASN A 23 16.008 11.508 -15.867 1.00 0.00 C ATOM 358 CG ASN A 23 16.176 12.017 -14.448 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.039 11.261 -13.486 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.474 13.304 -14.312 1.00 0.00 N ATOM 0 H ASN A 23 15.225 10.239 -17.835 1.00 0.00 H new ATOM 0 HA ASN A 23 13.915 11.180 -15.503 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.396 10.492 -15.934 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.603 12.122 -16.543 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.599 13.703 -13.382 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.578 13.893 -15.138 1.00 0.00 H new ATOM 367 N TYR A 24 14.692 13.454 -17.782 1.00 0.00 N ATOM 368 CA TYR A 24 14.382 14.802 -18.242 1.00 0.00 C ATOM 369 C TYR A 24 12.878 14.983 -18.425 1.00 0.00 C ATOM 370 O TYR A 24 12.301 15.973 -17.975 1.00 0.00 O ATOM 371 CB TYR A 24 15.106 15.094 -19.557 1.00 0.00 C ATOM 372 CG TYR A 24 14.901 16.505 -20.061 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.360 17.597 -19.333 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.248 16.747 -21.263 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.175 18.888 -19.789 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.060 18.035 -21.727 1.00 0.00 C ATOM 377 CZ TYR A 24 14.524 19.101 -20.987 1.00 0.00 C ATOM 378 OH TYR A 24 14.337 20.385 -21.445 1.00 0.00 O ATOM 0 H TYR A 24 15.363 12.954 -18.365 1.00 0.00 H new ATOM 0 HA TYR A 24 14.724 15.505 -17.483 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.173 14.917 -19.422 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.760 14.392 -20.316 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.870 17.433 -18.395 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.881 15.914 -21.845 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.538 19.725 -19.211 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.552 18.205 -22.665 1.00 0.00 H new ATOM 0 HH TYR A 24 13.863 20.361 -22.303 1.00 0.00 H new ATOM 388 N ASP A 25 12.250 14.019 -19.089 1.00 0.00 N ATOM 389 CA ASP A 25 10.813 14.069 -19.332 1.00 0.00 C ATOM 390 C ASP A 25 10.036 13.932 -18.026 1.00 0.00 C ATOM 391 O ASP A 25 9.163 14.745 -17.722 1.00 0.00 O ATOM 392 CB ASP A 25 10.399 12.963 -20.304 1.00 0.00 C ATOM 393 CG ASP A 25 9.406 13.447 -21.342 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.622 14.367 -21.030 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.413 12.905 -22.467 1.00 0.00 O ATOM 0 H ASP A 25 12.713 13.193 -19.469 1.00 0.00 H new ATOM 0 HA ASP A 25 10.578 15.037 -19.774 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.285 12.574 -20.806 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.961 12.136 -19.744 1.00 0.00 H new ATOM 400 N CYS A 26 10.359 12.896 -17.258 1.00 0.00 N ATOM 401 CA CYS A 26 9.691 12.650 -15.985 1.00 0.00 C ATOM 402 C CYS A 26 9.773 13.878 -15.082 1.00 0.00 C ATOM 403 O CYS A 26 8.785 14.274 -14.464 1.00 0.00 O ATOM 404 CB CYS A 26 10.317 11.444 -15.282 1.00 0.00 C ATOM 405 SG CYS A 26 9.748 11.205 -13.569 1.00 0.00 S ATOM 0 H CYS A 26 11.079 12.214 -17.495 1.00 0.00 H new ATOM 0 HA CYS A 26 8.641 12.439 -16.188 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.093 10.545 -15.857 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.401 11.560 -15.281 1.00 0.00 H new ATOM 410 N LYS A 27 10.957 14.476 -15.011 1.00 0.00 N ATOM 411 CA LYS A 27 11.169 15.659 -14.186 1.00 0.00 C ATOM 412 C LYS A 27 10.629 16.908 -14.876 1.00 0.00 C ATOM 413 O LYS A 27 10.693 18.009 -14.328 1.00 0.00 O ATOM 414 CB LYS A 27 12.659 15.834 -13.883 1.00 0.00 C ATOM 415 CG LYS A 27 12.935 16.738 -12.693 1.00 0.00 C ATOM 416 CD LYS A 27 14.056 17.720 -12.988 1.00 0.00 C ATOM 417 CE LYS A 27 13.512 19.067 -13.442 1.00 0.00 C ATOM 418 NZ LYS A 27 14.602 19.996 -13.850 1.00 0.00 N ATOM 0 H LYS A 27 11.785 14.160 -15.516 1.00 0.00 H new ATOM 0 HA LYS A 27 10.628 15.520 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.101 14.855 -13.695 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.155 16.244 -14.763 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.029 17.286 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.200 16.131 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.667 17.855 -12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.707 17.310 -13.761 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.828 18.920 -14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.935 19.517 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.191 20.902 -14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.240 20.157 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.137 19.579 -14.638 1.00 0.00 H new ATOM 432 N LEU A 28 10.097 16.729 -16.080 1.00 0.00 N ATOM 433 CA LEU A 28 9.545 17.842 -16.845 1.00 0.00 C ATOM 434 C LEU A 28 8.022 17.860 -16.757 1.00 0.00 C ATOM 435 O LEU A 28 7.422 18.881 -16.419 1.00 0.00 O ATOM 436 CB LEU A 28 9.981 17.747 -18.308 1.00 0.00 C ATOM 437 CG LEU A 28 9.376 18.782 -19.258 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.818 20.184 -18.871 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.763 18.476 -20.697 1.00 0.00 C ATOM 0 H LEU A 28 10.036 15.824 -16.547 1.00 0.00 H new ATOM 0 HA LEU A 28 9.927 18.769 -16.418 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.067 17.836 -18.349 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.729 16.753 -18.678 1.00 0.00 H new ATOM 0 HG LEU A 28 8.290 18.731 -19.177 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.378 20.907 -19.558 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.489 20.402 -17.855 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.905 20.250 -18.922 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.324 19.223 -21.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.848 18.498 -20.795 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.395 17.487 -20.970 1.00 0.00 H new ATOM 451 N ASP A 29 7.403 16.725 -17.061 1.00 0.00 N ATOM 452 CA ASP A 29 5.951 16.609 -17.013 1.00 0.00 C ATOM 453 C ASP A 29 5.480 16.258 -15.605 1.00 0.00 C ATOM 454 O ASP A 29 4.567 16.887 -15.069 1.00 0.00 O ATOM 455 CB ASP A 29 5.469 15.548 -18.004 1.00 0.00 C ATOM 456 CG ASP A 29 5.011 16.150 -19.318 1.00 0.00 C ATOM 457 OD1 ASP A 29 5.851 16.747 -20.023 1.00 0.00 O ATOM 458 OD2 ASP A 29 3.812 16.023 -19.642 1.00 0.00 O ATOM 0 H ASP A 29 7.885 15.872 -17.344 1.00 0.00 H new ATOM 0 HA ASP A 29 5.525 17.574 -17.290 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.275 14.839 -18.194 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.648 14.986 -17.559 1.00 0.00 H new ATOM 463 N LYS A 30 6.107 15.249 -15.011 1.00 0.00 N ATOM 464 CA LYS A 30 5.754 14.813 -13.665 1.00 0.00 C ATOM 465 C LYS A 30 6.510 15.621 -12.616 1.00 0.00 C ATOM 466 O LYS A 30 6.140 15.632 -11.441 1.00 0.00 O ATOM 467 CB LYS A 30 6.057 13.323 -13.493 1.00 0.00 C ATOM 468 CG LYS A 30 5.479 12.453 -14.596 1.00 0.00 C ATOM 469 CD LYS A 30 4.399 11.525 -14.066 1.00 0.00 C ATOM 470 CE LYS A 30 3.292 11.317 -15.087 1.00 0.00 C ATOM 471 NZ LYS A 30 1.955 11.205 -14.441 1.00 0.00 N ATOM 0 H LYS A 30 6.863 14.717 -15.441 1.00 0.00 H new ATOM 0 HA LYS A 30 4.686 14.978 -13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.137 13.182 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.662 12.989 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.063 13.086 -15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.275 11.864 -15.051 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.840 10.563 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.978 11.941 -13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.286 12.149 -15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.494 10.414 -15.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.228 11.064 -15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.952 10.396 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.751 12.077 -13.913 1.00 0.00 H new ATOM 485 N HIS A 31 7.570 16.297 -13.047 1.00 0.00 N ATOM 486 CA HIS A 31 8.377 17.110 -12.143 1.00 0.00 C ATOM 487 C HIS A 31 8.910 16.271 -10.986 1.00 0.00 C ATOM 488 O HIS A 31 9.205 16.793 -9.912 1.00 0.00 O ATOM 489 CB HIS A 31 7.553 18.280 -11.603 1.00 0.00 C ATOM 490 CG HIS A 31 8.324 19.560 -11.505 1.00 0.00 C ATOM 491 ND1 HIS A 31 8.366 20.328 -10.360 1.00 0.00 N ATOM 492 CD2 HIS A 31 9.088 20.206 -12.417 1.00 0.00 C ATOM 493 CE1 HIS A 31 9.120 21.391 -10.572 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.571 21.341 -11.813 1.00 0.00 N ATOM 0 H HIS A 31 7.890 16.298 -14.015 1.00 0.00 H new ATOM 0 HA HIS A 31 9.225 17.501 -12.705 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.689 18.434 -12.249 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.170 18.019 -10.616 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.282 19.888 -13.431 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.332 22.169 -9.853 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.179 22.033 -12.251 1.00 0.00 H new ATOM 502 N ALA A 32 9.030 14.967 -11.214 1.00 0.00 N ATOM 503 CA ALA A 32 9.528 14.056 -10.191 1.00 0.00 C ATOM 504 C ALA A 32 11.027 14.235 -9.979 1.00 0.00 C ATOM 505 O ALA A 32 11.740 14.693 -10.873 1.00 0.00 O ATOM 506 CB ALA A 32 9.215 12.615 -10.570 1.00 0.00 C ATOM 0 H ALA A 32 8.789 14.518 -12.098 1.00 0.00 H new ATOM 0 HA ALA A 32 9.024 14.292 -9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.593 11.945 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.136 12.489 -10.664 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.692 12.377 -11.521 1.00 0.00 H new ATOM 512 N ARG A 33 11.500 13.873 -8.791 1.00 0.00 N ATOM 513 CA ARG A 33 12.915 13.997 -8.462 1.00 0.00 C ATOM 514 C ARG A 33 13.783 13.373 -9.551 1.00 0.00 C ATOM 515 O ARG A 33 14.788 13.951 -9.964 1.00 0.00 O ATOM 516 CB ARG A 33 13.207 13.329 -7.117 1.00 0.00 C ATOM 517 CG ARG A 33 12.796 14.168 -5.918 1.00 0.00 C ATOM 518 CD ARG A 33 13.592 13.795 -4.677 1.00 0.00 C ATOM 519 NE ARG A 33 12.726 13.520 -3.534 1.00 0.00 N ATOM 520 CZ ARG A 33 12.008 14.451 -2.915 1.00 0.00 C ATOM 521 NH1 ARG A 33 12.052 15.710 -3.328 1.00 0.00 N ATOM 522 NH2 ARG A 33 11.244 14.124 -1.881 1.00 0.00 N ATOM 0 H ARG A 33 10.924 13.492 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 33 13.155 15.058 -8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.687 12.372 -7.076 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.274 13.115 -7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.945 15.224 -6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.732 14.031 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.203 12.917 -4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.275 14.607 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 33 12.669 12.561 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.638 15.966 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.500 16.423 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.207 13.157 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.694 14.840 -1.407 1.00 0.00 H new ATOM 536 N SER A 34 13.388 12.190 -10.010 1.00 0.00 N ATOM 537 CA SER A 34 14.132 11.486 -11.048 1.00 0.00 C ATOM 538 C SER A 34 13.210 10.582 -11.860 1.00 0.00 C ATOM 539 O SER A 34 11.997 10.565 -11.651 1.00 0.00 O ATOM 540 CB SER A 34 15.258 10.658 -10.425 1.00 0.00 C ATOM 541 OG SER A 34 15.191 10.689 -9.010 1.00 0.00 O ATOM 0 H SER A 34 12.557 11.699 -9.680 1.00 0.00 H new ATOM 0 HA SER A 34 14.565 12.229 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.191 9.627 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.223 11.044 -10.755 1.00 0.00 H new ATOM 0 HG SER A 34 15.920 10.151 -8.636 1.00 0.00 H new ATOM 547 N GLY A 35 13.794 9.830 -12.787 1.00 0.00 N ATOM 548 CA GLY A 35 13.011 8.933 -13.617 1.00 0.00 C ATOM 549 C GLY A 35 13.871 7.928 -14.357 1.00 0.00 C ATOM 550 O GLY A 35 14.879 8.291 -14.962 1.00 0.00 O ATOM 0 H GLY A 35 14.796 9.826 -12.978 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.292 8.402 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.438 9.517 -14.338 1.00 0.00 H new ATOM 554 N GLU A 36 13.473 6.661 -14.307 1.00 0.00 N ATOM 555 CA GLU A 36 14.218 5.600 -14.976 1.00 0.00 C ATOM 556 C GLU A 36 13.290 4.738 -15.828 1.00 0.00 C ATOM 557 O GLU A 36 12.068 4.881 -15.775 1.00 0.00 O ATOM 558 CB GLU A 36 14.941 4.728 -13.949 1.00 0.00 C ATOM 559 CG GLU A 36 16.327 5.237 -13.586 1.00 0.00 C ATOM 560 CD GLU A 36 16.338 6.024 -12.290 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.310 6.654 -11.969 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.378 6.009 -11.597 1.00 0.00 O ATOM 0 H GLU A 36 12.640 6.344 -13.811 1.00 0.00 H new ATOM 0 HA GLU A 36 14.956 6.066 -15.630 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.336 4.670 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.026 3.715 -14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.009 4.391 -13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.701 5.867 -14.393 1.00 0.00 H new ATOM 569 N CYS A 37 13.879 3.843 -16.613 1.00 0.00 N ATOM 570 CA CYS A 37 13.108 2.958 -17.478 1.00 0.00 C ATOM 571 C CYS A 37 13.177 1.516 -16.981 1.00 0.00 C ATOM 572 O CYS A 37 14.226 1.053 -16.533 1.00 0.00 O ATOM 573 CB CYS A 37 13.623 3.038 -18.916 1.00 0.00 C ATOM 574 SG CYS A 37 13.146 4.563 -19.792 1.00 0.00 S ATOM 0 H CYS A 37 14.889 3.711 -16.668 1.00 0.00 H new ATOM 0 HA CYS A 37 12.068 3.284 -17.454 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.710 2.962 -18.906 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.249 2.179 -19.473 1.00 0.00 H new ATOM 579 N PHE A 38 12.053 0.813 -17.064 1.00 0.00 N ATOM 580 CA PHE A 38 11.985 -0.575 -16.623 1.00 0.00 C ATOM 581 C PHE A 38 11.739 -1.510 -17.804 1.00 0.00 C ATOM 582 O PHE A 38 11.296 -1.079 -18.869 1.00 0.00 O ATOM 583 CB PHE A 38 10.878 -0.748 -15.581 1.00 0.00 C ATOM 584 CG PHE A 38 11.323 -0.446 -14.178 1.00 0.00 C ATOM 585 CD1 PHE A 38 11.998 0.729 -13.889 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.064 -1.337 -13.149 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.409 1.008 -12.600 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.472 -1.062 -11.857 1.00 0.00 C ATOM 589 CZ PHE A 38 12.144 0.113 -11.582 1.00 0.00 C ATOM 0 H PHE A 38 11.176 1.182 -17.433 1.00 0.00 H new ATOM 0 HA PHE A 38 12.943 -0.834 -16.171 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.043 -0.095 -15.837 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.507 -1.772 -15.623 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.205 1.434 -14.680 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.538 -2.256 -13.359 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.937 1.926 -12.388 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.266 -1.765 -11.064 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.462 0.331 -10.573 1.00 0.00 H new ATOM 599 N TYR A 39 12.029 -2.791 -17.607 1.00 0.00 N ATOM 600 CA TYR A 39 11.842 -3.787 -18.655 1.00 0.00 C ATOM 601 C TYR A 39 10.594 -4.625 -18.394 1.00 0.00 C ATOM 602 O TYR A 39 10.646 -5.640 -17.699 1.00 0.00 O ATOM 603 CB TYR A 39 13.069 -4.695 -18.749 1.00 0.00 C ATOM 604 CG TYR A 39 13.844 -4.534 -20.037 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.196 -4.540 -21.267 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.224 -4.377 -20.026 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.900 -4.394 -22.446 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.936 -4.228 -21.200 1.00 0.00 C ATOM 609 CZ TYR A 39 15.270 -4.238 -22.408 1.00 0.00 C ATOM 610 OH TYR A 39 15.976 -4.092 -23.580 1.00 0.00 O ATOM 0 H TYR A 39 12.395 -3.164 -16.731 1.00 0.00 H new ATOM 0 HA TYR A 39 11.713 -3.262 -19.601 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.730 -4.486 -17.908 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.751 -5.733 -18.654 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.123 -4.661 -21.301 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.750 -4.371 -19.083 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.381 -4.402 -23.393 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.009 -4.104 -21.172 1.00 0.00 H new ATOM 0 HH TYR A 39 16.930 -3.992 -23.377 1.00 0.00 H new ATOM 620 N LYS A 40 9.471 -4.193 -18.958 1.00 0.00 N ATOM 621 CA LYS A 40 8.208 -4.901 -18.790 1.00 0.00 C ATOM 622 C LYS A 40 7.975 -5.878 -19.938 1.00 0.00 C ATOM 623 O LYS A 40 8.744 -5.915 -20.898 1.00 0.00 O ATOM 624 CB LYS A 40 7.048 -3.907 -18.710 1.00 0.00 C ATOM 625 CG LYS A 40 6.235 -4.021 -17.432 1.00 0.00 C ATOM 626 CD LYS A 40 4.912 -4.730 -17.674 1.00 0.00 C ATOM 627 CE LYS A 40 3.830 -4.227 -16.731 1.00 0.00 C ATOM 628 NZ LYS A 40 2.594 -3.835 -17.463 1.00 0.00 N ATOM 0 H LYS A 40 9.410 -3.355 -19.536 1.00 0.00 H new ATOM 0 HA LYS A 40 8.259 -5.466 -17.859 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.443 -2.894 -18.790 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.389 -4.061 -19.565 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.809 -4.565 -16.682 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.047 -3.026 -17.029 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.598 -4.574 -18.706 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.043 -5.804 -17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.591 -5.004 -16.005 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.206 -3.372 -16.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.893 -3.466 -16.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.823 -3.099 -18.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.201 -4.665 -17.951 1.00 0.00 H new ATOM 642 N GLU A 41 6.910 -6.666 -19.833 1.00 0.00 N ATOM 643 CA GLU A 41 6.577 -7.642 -20.864 1.00 0.00 C ATOM 644 C GLU A 41 7.801 -8.469 -21.245 1.00 0.00 C ATOM 645 O GLU A 41 8.798 -8.493 -20.524 1.00 0.00 O ATOM 646 CB GLU A 41 6.017 -6.939 -22.102 1.00 0.00 C ATOM 647 CG GLU A 41 4.957 -5.898 -21.784 1.00 0.00 C ATOM 648 CD GLU A 41 3.814 -6.462 -20.962 1.00 0.00 C ATOM 649 OE1 GLU A 41 4.006 -6.671 -19.745 1.00 0.00 O ATOM 650 OE2 GLU A 41 2.729 -6.695 -21.534 1.00 0.00 O ATOM 0 H GLU A 41 6.263 -6.648 -19.045 1.00 0.00 H new ATOM 0 HA GLU A 41 5.817 -8.312 -20.462 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.836 -6.459 -22.638 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.591 -7.686 -22.772 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.416 -5.071 -21.242 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.563 -5.490 -22.715 1.00 0.00 H new ATOM 657 N LYS A 42 7.718 -9.148 -22.384 1.00 0.00 N ATOM 658 CA LYS A 42 8.817 -9.977 -22.864 1.00 0.00 C ATOM 659 C LYS A 42 9.897 -9.122 -23.520 1.00 0.00 C ATOM 660 O LYS A 42 11.086 -9.296 -23.254 1.00 0.00 O ATOM 661 CB LYS A 42 8.301 -11.018 -23.860 1.00 0.00 C ATOM 662 CG LYS A 42 8.349 -12.441 -23.331 1.00 0.00 C ATOM 663 CD LYS A 42 9.404 -13.268 -24.047 1.00 0.00 C ATOM 664 CE LYS A 42 8.821 -13.994 -25.250 1.00 0.00 C ATOM 665 NZ LYS A 42 9.880 -14.434 -26.200 1.00 0.00 N ATOM 0 H LYS A 42 6.900 -9.140 -22.993 1.00 0.00 H new ATOM 0 HA LYS A 42 9.254 -10.489 -22.007 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.273 -10.774 -24.129 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.892 -10.959 -24.774 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.561 -12.426 -22.262 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.373 -12.909 -23.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.218 -12.620 -24.371 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.831 -13.993 -23.355 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.254 -14.861 -24.911 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.121 -13.337 -25.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.442 -14.924 -27.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.405 -13.604 -26.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.534 -15.081 -25.715 1.00 0.00 H new ATOM 679 N ARG A 43 9.474 -8.198 -24.377 1.00 0.00 N ATOM 680 CA ARG A 43 10.405 -7.316 -25.070 1.00 0.00 C ATOM 681 C ARG A 43 10.044 -5.852 -24.837 1.00 0.00 C ATOM 682 O ARG A 43 10.919 -4.992 -24.756 1.00 0.00 O ATOM 683 CB ARG A 43 10.408 -7.620 -26.569 1.00 0.00 C ATOM 684 CG ARG A 43 10.830 -9.042 -26.902 1.00 0.00 C ATOM 685 CD ARG A 43 12.339 -9.155 -27.051 1.00 0.00 C ATOM 686 NE ARG A 43 12.715 -10.030 -28.158 1.00 0.00 N ATOM 687 CZ ARG A 43 12.560 -9.705 -29.437 1.00 0.00 C ATOM 688 NH1 ARG A 43 12.039 -8.532 -29.768 1.00 0.00 N ATOM 689 NH2 ARG A 43 12.927 -10.555 -30.387 1.00 0.00 N ATOM 0 H ARG A 43 8.493 -8.041 -24.608 1.00 0.00 H new ATOM 0 HA ARG A 43 11.402 -7.494 -24.668 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.409 -7.443 -26.969 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.080 -6.924 -27.071 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.489 -9.717 -26.117 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.347 -9.359 -27.826 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.763 -8.164 -27.212 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.767 -9.538 -26.125 1.00 0.00 H new ATOM 0 HE ARG A 43 13.119 -10.940 -27.937 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.756 -7.876 -29.040 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.921 -8.285 -30.751 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.328 -11.458 -30.136 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.808 -10.305 -31.369 1.00 0.00 H new ATOM 703 N ASN A 44 8.747 -5.578 -24.732 1.00 0.00 N ATOM 704 CA ASN A 44 8.270 -4.218 -24.509 1.00 0.00 C ATOM 705 C ASN A 44 9.027 -3.556 -23.362 1.00 0.00 C ATOM 706 O ASN A 44 9.666 -4.231 -22.554 1.00 0.00 O ATOM 707 CB ASN A 44 6.769 -4.225 -24.208 1.00 0.00 C ATOM 708 CG ASN A 44 6.113 -2.892 -24.510 1.00 0.00 C ATOM 709 OD1 ASN A 44 6.198 -2.385 -25.628 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.452 -2.319 -23.511 1.00 0.00 N ATOM 0 H ASN A 44 8.009 -6.279 -24.798 1.00 0.00 H new ATOM 0 HA ASN A 44 8.449 -3.643 -25.418 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.287 -5.006 -24.796 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.613 -4.474 -23.158 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.988 -1.422 -23.654 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.408 -2.776 -22.600 1.00 0.00 H new ATOM 717 N LEU A 45 8.950 -2.231 -23.297 1.00 0.00 N ATOM 718 CA LEU A 45 9.628 -1.477 -22.248 1.00 0.00 C ATOM 719 C LEU A 45 8.701 -0.422 -21.652 1.00 0.00 C ATOM 720 O LEU A 45 7.746 0.013 -22.294 1.00 0.00 O ATOM 721 CB LEU A 45 10.887 -0.810 -22.805 1.00 0.00 C ATOM 722 CG LEU A 45 12.018 -0.571 -21.804 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.371 -0.698 -22.486 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.873 0.797 -21.153 1.00 0.00 C ATOM 0 H LEU A 45 8.426 -1.657 -23.957 1.00 0.00 H new ATOM 0 HA LEU A 45 9.912 -2.173 -21.459 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.272 -1.427 -23.617 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.604 0.149 -23.239 1.00 0.00 H new ATOM 0 HG LEU A 45 11.955 -1.331 -21.025 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.163 -0.525 -21.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.475 -1.699 -22.904 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.446 0.039 -23.286 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.686 0.950 -20.444 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.910 1.571 -21.920 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.919 0.851 -20.629 1.00 0.00 H new ATOM 736 N GLN A 46 8.992 -0.014 -20.421 1.00 0.00 N ATOM 737 CA GLN A 46 8.186 0.991 -19.739 1.00 0.00 C ATOM 738 C GLN A 46 9.071 2.037 -19.070 1.00 0.00 C ATOM 739 O GLN A 46 10.265 1.816 -18.864 1.00 0.00 O ATOM 740 CB GLN A 46 7.282 0.329 -18.696 1.00 0.00 C ATOM 741 CG GLN A 46 5.862 0.096 -19.184 1.00 0.00 C ATOM 742 CD GLN A 46 5.112 -0.913 -18.335 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.718 -1.975 -18.817 1.00 0.00 O ATOM 744 NE2 GLN A 46 4.911 -0.584 -17.064 1.00 0.00 N ATOM 0 H GLN A 46 9.780 -0.364 -19.876 1.00 0.00 H new ATOM 0 HA GLN A 46 7.566 1.489 -20.484 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.718 -0.626 -18.403 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.253 0.954 -17.803 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.321 1.042 -19.181 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.889 -0.252 -20.217 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.255 0.307 -16.707 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.412 -1.223 -16.445 1.00 0.00 H new ATOM 753 N CYS A 47 8.480 3.179 -18.734 1.00 0.00 N ATOM 754 CA CYS A 47 9.214 4.261 -18.090 1.00 0.00 C ATOM 755 C CYS A 47 8.589 4.617 -16.744 1.00 0.00 C ATOM 756 O CYS A 47 7.426 5.016 -16.675 1.00 0.00 O ATOM 757 CB CYS A 47 9.243 5.495 -18.994 1.00 0.00 C ATOM 758 SG CYS A 47 10.916 6.007 -19.500 1.00 0.00 S ATOM 0 H CYS A 47 7.493 3.379 -18.898 1.00 0.00 H new ATOM 0 HA CYS A 47 10.235 3.921 -17.918 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.651 5.292 -19.887 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.762 6.324 -18.475 1.00 0.00 H new ATOM 763 N ILE A 48 9.368 4.469 -15.678 1.00 0.00 N ATOM 764 CA ILE A 48 8.892 4.776 -14.335 1.00 0.00 C ATOM 765 C ILE A 48 9.574 6.022 -13.781 1.00 0.00 C ATOM 766 O ILE A 48 10.756 6.259 -14.032 1.00 0.00 O ATOM 767 CB ILE A 48 9.132 3.600 -13.370 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.635 2.293 -13.990 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.442 3.858 -12.039 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.629 1.129 -13.023 1.00 0.00 C ATOM 0 H ILE A 48 10.332 4.138 -15.718 1.00 0.00 H new ATOM 0 HA ILE A 48 7.820 4.957 -14.414 1.00 0.00 H new ATOM 0 HB ILE A 48 10.203 3.510 -13.190 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.625 2.443 -14.372 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.265 2.043 -14.844 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.621 3.018 -11.368 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.840 4.770 -11.594 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.370 3.971 -12.201 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.265 0.236 -13.531 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.641 0.953 -12.660 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.976 1.359 -12.181 1.00 0.00 H new ATOM 782 N CYS A 49 8.823 6.814 -13.024 1.00 0.00 N ATOM 783 CA CYS A 49 9.354 8.036 -12.432 1.00 0.00 C ATOM 784 C CYS A 49 9.896 7.770 -11.031 1.00 0.00 C ATOM 785 O CYS A 49 9.824 6.648 -10.529 1.00 0.00 O ATOM 786 CB CYS A 49 8.270 9.114 -12.376 1.00 0.00 C ATOM 787 SG CYS A 49 8.127 10.105 -13.898 1.00 0.00 S ATOM 0 H CYS A 49 7.844 6.631 -12.806 1.00 0.00 H new ATOM 0 HA CYS A 49 10.173 8.388 -13.059 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.310 8.639 -12.173 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.479 9.781 -11.539 1.00 0.00 H new ATOM 792 N ASP A 50 10.438 8.809 -10.405 1.00 0.00 N ATOM 793 CA ASP A 50 10.990 8.689 -9.061 1.00 0.00 C ATOM 794 C ASP A 50 10.664 9.924 -8.227 1.00 0.00 C ATOM 795 O ASP A 50 10.787 11.054 -8.698 1.00 0.00 O ATOM 796 CB ASP A 50 12.505 8.488 -9.126 1.00 0.00 C ATOM 797 CG ASP A 50 13.039 7.718 -7.934 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.360 7.702 -6.885 1.00 0.00 O ATOM 799 OD2 ASP A 50 14.134 7.130 -8.050 1.00 0.00 O ATOM 0 H ASP A 50 10.507 9.744 -10.807 1.00 0.00 H new ATOM 0 HA ASP A 50 10.535 7.821 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.759 7.955 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.996 9.460 -9.176 1.00 0.00 H new ATOM 804 N TYR A 51 10.245 9.699 -6.986 1.00 0.00 N ATOM 805 CA TYR A 51 9.896 10.793 -6.087 1.00 0.00 C ATOM 806 C TYR A 51 10.641 10.667 -4.762 1.00 0.00 C ATOM 807 O TYR A 51 10.173 11.140 -3.726 1.00 0.00 O ATOM 808 CB TYR A 51 8.388 10.815 -5.838 1.00 0.00 C ATOM 809 CG TYR A 51 7.583 11.278 -7.031 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.425 12.631 -7.304 1.00 0.00 C ATOM 811 CD2 TYR A 51 6.982 10.363 -7.886 1.00 0.00 C ATOM 812 CE1 TYR A 51 6.690 13.059 -8.393 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.247 10.782 -8.978 1.00 0.00 C ATOM 814 CZ TYR A 51 6.103 12.131 -9.227 1.00 0.00 C ATOM 815 OH TYR A 51 5.371 12.553 -10.313 1.00 0.00 O ATOM 0 H TYR A 51 10.139 8.769 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 51 10.192 11.729 -6.562 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.060 9.814 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.178 11.470 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.885 13.361 -6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.091 9.306 -7.694 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.576 14.115 -8.590 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.787 10.057 -9.633 1.00 0.00 H new ATOM 0 HH TYR A 51 5.026 11.774 -10.798 1.00 0.00 H new