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 15:sc= -0.486 USER MOD Set 1.2: A 11 TYR OH : rot 49:sc= -0.887 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= 0.704 K(o=0.7,f=-0.34) 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= -0.276 X(o=-0.28,f=-0.38) USER MOD Single : A 21 GLN : amide:sc= -1.74 K(o=-1.7,f=-6.2!) USER MOD Single : A 23 ASN : amide:sc= 0.409 K(o=0.41,f=-5.3!) 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 X(o=0,f=-0.0021) USER MOD Single : A 34 SER OG : rot 180:sc= -0.151 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0497) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.67) USER MOD Single : A 46 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.3!) USER MOD Single : A 51 TYR OH : rot 21:sc= -0.581 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 8.327 5.311 -6.588 1.00 0.00 N ATOM 63 CA LYS A 5 8.340 5.382 -8.044 1.00 0.00 C ATOM 64 C LYS A 5 6.948 5.128 -8.614 1.00 0.00 C ATOM 65 O LYS A 5 6.202 4.290 -8.108 1.00 0.00 O ATOM 66 CB LYS A 5 9.330 4.363 -8.616 1.00 0.00 C ATOM 67 CG LYS A 5 10.784 4.715 -8.353 1.00 0.00 C ATOM 68 CD LYS A 5 11.713 4.012 -9.329 1.00 0.00 C ATOM 69 CE LYS A 5 12.838 3.289 -8.605 1.00 0.00 C ATOM 70 NZ LYS A 5 13.887 2.810 -9.547 1.00 0.00 N ATOM 0 HA LYS A 5 8.653 6.386 -8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.119 3.383 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.173 4.281 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.919 5.794 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.048 4.436 -7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.144 3.298 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.134 4.741 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.287 3.959 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.430 2.441 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.636 2.323 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.464 2.151 -10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.295 3.621 -10.054 1.00 0.00 H new ATOM 84 N LYS A 6 6.605 5.857 -9.670 1.00 0.00 N ATOM 85 CA LYS A 6 5.303 5.710 -10.311 1.00 0.00 C ATOM 86 C LYS A 6 5.460 5.433 -11.803 1.00 0.00 C ATOM 87 O LYS A 6 6.298 6.038 -12.472 1.00 0.00 O ATOM 88 CB LYS A 6 4.463 6.972 -10.101 1.00 0.00 C ATOM 89 CG LYS A 6 3.587 6.919 -8.861 1.00 0.00 C ATOM 90 CD LYS A 6 4.060 7.902 -7.803 1.00 0.00 C ATOM 91 CE LYS A 6 3.193 7.835 -6.554 1.00 0.00 C ATOM 92 NZ LYS A 6 3.239 9.106 -5.780 1.00 0.00 N ATOM 0 H LYS A 6 7.210 6.556 -10.101 1.00 0.00 H new ATOM 0 HA LYS A 6 4.794 4.862 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.127 7.833 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.831 7.128 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.556 7.144 -9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.596 5.909 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.096 7.686 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.038 8.913 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.163 7.619 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.528 7.012 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.636 9.021 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.218 9.299 -5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.895 9.887 -6.374 1.00 0.00 H new ATOM 106 N VAL A 7 4.647 4.517 -12.319 1.00 0.00 N ATOM 107 CA VAL A 7 4.694 4.162 -13.732 1.00 0.00 C ATOM 108 C VAL A 7 3.972 5.201 -14.584 1.00 0.00 C ATOM 109 O VAL A 7 2.887 5.662 -14.231 1.00 0.00 O ATOM 110 CB VAL A 7 4.063 2.780 -13.985 1.00 0.00 C ATOM 111 CG1 VAL A 7 2.648 2.729 -13.431 1.00 0.00 C ATOM 112 CG2 VAL A 7 4.074 2.453 -15.471 1.00 0.00 C ATOM 0 H VAL A 7 3.948 4.007 -11.779 1.00 0.00 H new ATOM 0 HA VAL A 7 5.746 4.131 -14.015 1.00 0.00 H new ATOM 0 HB VAL A 7 4.658 2.028 -13.466 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.219 1.745 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.671 2.916 -12.357 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.039 3.490 -13.919 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.624 1.473 -15.631 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.504 3.207 -16.014 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.102 2.444 -15.834 1.00 0.00 H new ATOM 122 N TYR A 8 4.582 5.564 -15.706 1.00 0.00 N ATOM 123 CA TYR A 8 3.999 6.550 -16.608 1.00 0.00 C ATOM 124 C TYR A 8 2.811 5.963 -17.363 1.00 0.00 C ATOM 125 O TYR A 8 2.832 4.801 -17.767 1.00 0.00 O ATOM 126 CB TYR A 8 5.051 7.050 -17.600 1.00 0.00 C ATOM 127 CG TYR A 8 5.019 8.547 -17.813 1.00 0.00 C ATOM 128 CD1 TYR A 8 3.897 9.169 -18.344 1.00 0.00 C ATOM 129 CD2 TYR A 8 6.112 9.339 -17.481 1.00 0.00 C ATOM 130 CE1 TYR A 8 3.864 10.536 -18.541 1.00 0.00 C ATOM 131 CE2 TYR A 8 6.088 10.707 -17.674 1.00 0.00 C ATOM 132 CZ TYR A 8 4.962 11.301 -18.204 1.00 0.00 C ATOM 133 OH TYR A 8 4.932 12.663 -18.398 1.00 0.00 O ATOM 0 H TYR A 8 5.480 5.190 -16.013 1.00 0.00 H new ATOM 0 HA TYR A 8 3.646 7.389 -16.008 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.040 6.763 -17.243 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.901 6.552 -18.558 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.035 8.574 -18.608 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.995 8.877 -17.065 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.984 11.003 -18.957 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.946 11.308 -17.411 1.00 0.00 H new ATOM 0 HH TYR A 8 4.008 12.952 -18.548 1.00 0.00 H new ATOM 143 N GLU A 9 1.776 6.776 -17.550 1.00 0.00 N ATOM 144 CA GLU A 9 0.578 6.338 -18.257 1.00 0.00 C ATOM 145 C GLU A 9 0.945 5.561 -19.518 1.00 0.00 C ATOM 146 O GLU A 9 0.511 4.426 -19.709 1.00 0.00 O ATOM 147 CB GLU A 9 -0.295 7.540 -18.620 1.00 0.00 C ATOM 148 CG GLU A 9 -0.605 8.446 -17.440 1.00 0.00 C ATOM 149 CD GLU A 9 -2.077 8.449 -17.077 1.00 0.00 C ATOM 150 OE1 GLU A 9 -2.838 9.227 -17.689 1.00 0.00 O ATOM 151 OE2 GLU A 9 -2.467 7.673 -16.180 1.00 0.00 O ATOM 0 H GLU A 9 1.743 7.741 -17.222 1.00 0.00 H new ATOM 0 HA GLU A 9 0.017 5.678 -17.595 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.207 8.123 -19.393 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.231 7.182 -19.048 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.023 8.124 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.291 9.463 -17.675 1.00 0.00 H new ATOM 158 N ASN A 10 1.746 6.184 -20.377 1.00 0.00 N ATOM 159 CA ASN A 10 2.170 5.553 -21.622 1.00 0.00 C ATOM 160 C ASN A 10 3.223 6.399 -22.330 1.00 0.00 C ATOM 161 O ASN A 10 2.939 7.505 -22.790 1.00 0.00 O ATOM 162 CB ASN A 10 0.968 5.337 -22.544 1.00 0.00 C ATOM 163 CG ASN A 10 -0.116 6.377 -22.333 1.00 0.00 C ATOM 164 OD1 ASN A 10 -1.227 6.054 -21.915 1.00 0.00 O ATOM 165 ND2 ASN A 10 0.205 7.632 -22.624 1.00 0.00 N ATOM 0 H ASN A 10 2.114 7.124 -20.234 1.00 0.00 H new ATOM 0 HA ASN A 10 2.611 4.586 -21.378 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.300 5.367 -23.582 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.554 4.344 -22.370 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.483 8.375 -22.503 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.139 7.853 -22.968 1.00 0.00 H new ATOM 172 N TYR A 11 4.440 5.872 -22.413 1.00 0.00 N ATOM 173 CA TYR A 11 5.537 6.580 -23.063 1.00 0.00 C ATOM 174 C TYR A 11 6.145 5.734 -24.178 1.00 0.00 C ATOM 175 O TYR A 11 5.991 4.514 -24.221 1.00 0.00 O ATOM 176 CB TYR A 11 6.613 6.946 -22.040 1.00 0.00 C ATOM 177 CG TYR A 11 6.664 8.422 -21.717 1.00 0.00 C ATOM 178 CD1 TYR A 11 5.497 9.156 -21.541 1.00 0.00 C ATOM 179 CD2 TYR A 11 7.879 9.084 -21.590 1.00 0.00 C ATOM 180 CE1 TYR A 11 5.540 10.505 -21.247 1.00 0.00 C ATOM 181 CE2 TYR A 11 7.931 10.432 -21.295 1.00 0.00 C ATOM 182 CZ TYR A 11 6.759 11.139 -21.124 1.00 0.00 C ATOM 183 OH TYR A 11 6.806 12.482 -20.832 1.00 0.00 O ATOM 0 H TYR A 11 4.692 4.957 -22.038 1.00 0.00 H new ATOM 0 HA TYR A 11 5.137 7.494 -23.502 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.434 6.388 -21.121 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.585 6.632 -22.420 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.541 8.663 -21.636 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.799 8.535 -21.724 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.624 11.061 -21.114 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.884 10.930 -21.199 1.00 0.00 H new ATOM 0 HH TYR A 11 6.223 12.671 -20.068 1.00 0.00 H new ATOM 193 N PRO A 12 6.856 6.398 -25.102 1.00 0.00 N ATOM 194 CA PRO A 12 7.504 5.729 -26.233 1.00 0.00 C ATOM 195 C PRO A 12 8.687 4.871 -25.799 1.00 0.00 C ATOM 196 O PRO A 12 9.601 5.350 -25.128 1.00 0.00 O ATOM 197 CB PRO A 12 7.979 6.892 -27.108 1.00 0.00 C ATOM 198 CG PRO A 12 8.139 8.035 -26.165 1.00 0.00 C ATOM 199 CD PRO A 12 7.081 7.854 -25.112 1.00 0.00 C ATOM 0 HA PRO A 12 6.828 5.043 -26.742 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.919 6.655 -27.606 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.254 7.122 -27.889 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.135 8.038 -25.721 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.017 8.987 -26.681 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.416 8.216 -24.140 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.170 8.400 -25.359 1.00 0.00 H new ATOM 207 N VAL A 13 8.664 3.600 -26.186 1.00 0.00 N ATOM 208 CA VAL A 13 9.736 2.675 -25.838 1.00 0.00 C ATOM 209 C VAL A 13 11.035 3.047 -26.545 1.00 0.00 C ATOM 210 O VAL A 13 12.125 2.735 -26.067 1.00 0.00 O ATOM 211 CB VAL A 13 9.366 1.224 -26.199 1.00 0.00 C ATOM 212 CG1 VAL A 13 10.552 0.299 -25.978 1.00 0.00 C ATOM 213 CG2 VAL A 13 8.163 0.765 -25.389 1.00 0.00 C ATOM 0 H VAL A 13 7.914 3.187 -26.741 1.00 0.00 H new ATOM 0 HA VAL A 13 9.878 2.748 -24.760 1.00 0.00 H new ATOM 0 HB VAL A 13 9.100 1.187 -27.255 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.271 -0.721 -26.238 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.384 0.618 -26.606 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.853 0.337 -24.931 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.915 -0.262 -25.656 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.399 0.816 -24.326 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.312 1.411 -25.603 1.00 0.00 H new ATOM 223 N SER A 14 10.910 3.717 -27.686 1.00 0.00 N ATOM 224 CA SER A 14 12.073 4.130 -28.461 1.00 0.00 C ATOM 225 C SER A 14 12.922 5.128 -27.679 1.00 0.00 C ATOM 226 O SER A 14 14.126 4.938 -27.508 1.00 0.00 O ATOM 227 CB SER A 14 11.634 4.749 -29.790 1.00 0.00 C ATOM 228 OG SER A 14 11.254 3.747 -30.718 1.00 0.00 O ATOM 0 H SER A 14 10.014 3.985 -28.094 1.00 0.00 H new ATOM 0 HA SER A 14 12.677 3.245 -28.662 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.798 5.428 -29.620 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.448 5.343 -30.205 1.00 0.00 H new ATOM 0 HG SER A 14 10.976 4.168 -31.558 1.00 0.00 H new ATOM 234 N LYS A 15 12.284 6.193 -27.205 1.00 0.00 N ATOM 235 CA LYS A 15 12.977 7.222 -26.439 1.00 0.00 C ATOM 236 C LYS A 15 13.433 6.681 -25.088 1.00 0.00 C ATOM 237 O LYS A 15 14.419 7.152 -24.519 1.00 0.00 O ATOM 238 CB LYS A 15 12.066 8.434 -26.233 1.00 0.00 C ATOM 239 CG LYS A 15 11.976 9.341 -27.448 1.00 0.00 C ATOM 240 CD LYS A 15 11.074 10.536 -27.187 1.00 0.00 C ATOM 241 CE LYS A 15 11.267 11.620 -28.236 1.00 0.00 C ATOM 242 NZ LYS A 15 10.366 12.783 -28.004 1.00 0.00 N ATOM 0 H LYS A 15 11.288 6.366 -27.338 1.00 0.00 H new ATOM 0 HA LYS A 15 13.857 7.528 -27.004 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.066 8.086 -25.975 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.431 9.013 -25.384 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.973 9.689 -27.718 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.595 8.775 -28.298 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.033 10.213 -27.183 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.285 10.943 -26.198 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.304 11.956 -28.225 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.077 11.205 -29.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.528 13.500 -28.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.376 12.468 -28.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.564 13.195 -27.070 1.00 0.00 H new ATOM 256 N CYS A 16 12.712 5.687 -24.580 1.00 0.00 N ATOM 257 CA CYS A 16 13.042 5.080 -23.296 1.00 0.00 C ATOM 258 C CYS A 16 14.458 4.510 -23.312 1.00 0.00 C ATOM 259 O CYS A 16 15.095 4.376 -22.268 1.00 0.00 O ATOM 260 CB CYS A 16 12.039 3.976 -22.957 1.00 0.00 C ATOM 261 SG CYS A 16 11.339 4.096 -21.280 1.00 0.00 S ATOM 0 H CYS A 16 11.895 5.284 -25.039 1.00 0.00 H new ATOM 0 HA CYS A 16 12.990 5.855 -22.532 1.00 0.00 H new ATOM 0 HB2 CYS A 16 11.225 4.004 -23.682 1.00 0.00 H new ATOM 0 HB3 CYS A 16 12.529 3.009 -23.066 1.00 0.00 H new ATOM 266 N GLN A 17 14.942 4.177 -24.505 1.00 0.00 N ATOM 267 CA GLN A 17 16.281 3.621 -24.657 1.00 0.00 C ATOM 268 C GLN A 17 17.327 4.546 -24.044 1.00 0.00 C ATOM 269 O GLN A 17 18.421 4.111 -23.682 1.00 0.00 O ATOM 270 CB GLN A 17 16.594 3.386 -26.135 1.00 0.00 C ATOM 271 CG GLN A 17 16.110 2.042 -26.654 1.00 0.00 C ATOM 272 CD GLN A 17 17.078 1.413 -27.636 1.00 0.00 C ATOM 273 OE1 GLN A 17 16.831 1.392 -28.842 1.00 0.00 O ATOM 274 NE2 GLN A 17 18.189 0.895 -27.125 1.00 0.00 N ATOM 0 H GLN A 17 14.427 4.283 -25.379 1.00 0.00 H new ATOM 0 HA GLN A 17 16.313 2.667 -24.131 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.136 4.180 -26.725 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.671 3.457 -26.285 1.00 0.00 H new ATOM 0 HG2 GLN A 17 15.960 1.365 -25.813 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.141 2.171 -27.137 1.00 0.00 H new ATOM 0 HE21 GLN A 17 18.354 0.934 -26.119 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.877 0.458 -27.738 1.00 0.00 H new ATOM 283 N LEU A 18 16.985 5.825 -23.930 1.00 0.00 N ATOM 284 CA LEU A 18 17.895 6.813 -23.361 1.00 0.00 C ATOM 285 C LEU A 18 17.472 7.191 -21.946 1.00 0.00 C ATOM 286 O LEU A 18 16.332 7.595 -21.715 1.00 0.00 O ATOM 287 CB LEU A 18 17.940 8.062 -24.244 1.00 0.00 C ATOM 288 CG LEU A 18 18.275 7.831 -25.717 1.00 0.00 C ATOM 289 CD1 LEU A 18 18.315 9.152 -26.469 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.601 7.097 -25.854 1.00 0.00 C ATOM 0 H LEU A 18 16.084 6.202 -24.224 1.00 0.00 H new ATOM 0 HA LEU A 18 18.890 6.371 -23.317 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.971 8.558 -24.186 1.00 0.00 H new ATOM 0 HB3 LEU A 18 18.676 8.750 -23.828 1.00 0.00 H new ATOM 0 HG LEU A 18 17.493 7.211 -26.154 1.00 0.00 H new ATOM 0 HD11 LEU A 18 18.555 8.967 -27.516 1.00 0.00 H new ATOM 0 HD12 LEU A 18 17.343 9.639 -26.400 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.076 9.797 -26.031 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.823 6.941 -26.910 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.394 7.691 -25.400 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.537 6.132 -25.351 1.00 0.00 H new ATOM 302 N ALA A 19 18.398 7.060 -21.002 1.00 0.00 N ATOM 303 CA ALA A 19 18.122 7.392 -19.609 1.00 0.00 C ATOM 304 C ALA A 19 17.879 8.888 -19.440 1.00 0.00 C ATOM 305 O ALA A 19 16.958 9.301 -18.737 1.00 0.00 O ATOM 306 CB ALA A 19 19.271 6.938 -18.721 1.00 0.00 C ATOM 0 H ALA A 19 19.346 6.726 -21.176 1.00 0.00 H new ATOM 0 HA ALA A 19 17.216 6.867 -19.308 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.052 7.192 -17.684 1.00 0.00 H new ATOM 0 HB2 ALA A 19 19.396 5.859 -18.812 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.189 7.437 -19.030 1.00 0.00 H new ATOM 312 N ASN A 20 18.712 9.696 -20.088 1.00 0.00 N ATOM 313 CA ASN A 20 18.588 11.147 -20.008 1.00 0.00 C ATOM 314 C ASN A 20 17.217 11.603 -20.497 1.00 0.00 C ATOM 315 O ASN A 20 16.764 12.699 -20.167 1.00 0.00 O ATOM 316 CB ASN A 20 19.687 11.820 -20.833 1.00 0.00 C ATOM 317 CG ASN A 20 21.028 11.128 -20.684 1.00 0.00 C ATOM 318 OD1 ASN A 20 21.431 10.341 -21.541 1.00 0.00 O ATOM 319 ND2 ASN A 20 21.726 11.418 -19.593 1.00 0.00 N ATOM 0 H ASN A 20 19.480 9.370 -20.675 1.00 0.00 H new ATOM 0 HA ASN A 20 18.697 11.439 -18.964 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.398 11.823 -21.884 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.782 12.861 -20.525 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.635 10.983 -19.439 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.353 12.076 -18.909 1.00 0.00 H new ATOM 326 N GLN A 21 16.563 10.755 -21.283 1.00 0.00 N ATOM 327 CA GLN A 21 15.244 11.072 -21.818 1.00 0.00 C ATOM 328 C GLN A 21 14.164 10.859 -20.762 1.00 0.00 C ATOM 329 O GLN A 21 13.448 11.791 -20.395 1.00 0.00 O ATOM 330 CB GLN A 21 14.948 10.212 -23.048 1.00 0.00 C ATOM 331 CG GLN A 21 15.298 10.890 -24.362 1.00 0.00 C ATOM 332 CD GLN A 21 14.118 11.617 -24.976 1.00 0.00 C ATOM 333 OE1 GLN A 21 13.646 11.258 -26.056 1.00 0.00 O ATOM 334 NE2 GLN A 21 13.633 12.645 -24.290 1.00 0.00 N ATOM 0 H GLN A 21 16.924 9.843 -21.564 1.00 0.00 H new ATOM 0 HA GLN A 21 15.241 12.122 -22.109 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.505 9.278 -22.971 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.889 9.952 -23.053 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.110 11.598 -24.196 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.666 10.143 -25.065 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.055 12.908 -23.399 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.839 13.172 -24.654 1.00 0.00 H new ATOM 343 N CYS A 22 14.051 9.627 -20.278 1.00 0.00 N ATOM 344 CA CYS A 22 13.057 9.290 -19.266 1.00 0.00 C ATOM 345 C CYS A 22 13.137 10.253 -18.085 1.00 0.00 C ATOM 346 O CYS A 22 12.117 10.732 -17.591 1.00 0.00 O ATOM 347 CB CYS A 22 13.260 7.853 -18.781 1.00 0.00 C ATOM 348 SG CYS A 22 11.730 7.033 -18.228 1.00 0.00 S ATOM 0 H CYS A 22 14.636 8.844 -20.571 1.00 0.00 H new ATOM 0 HA CYS A 22 12.069 9.378 -19.718 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.703 7.268 -19.587 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.976 7.856 -17.959 1.00 0.00 H new ATOM 353 N ASN A 23 14.357 10.533 -17.637 1.00 0.00 N ATOM 354 CA ASN A 23 14.571 11.438 -16.514 1.00 0.00 C ATOM 355 C ASN A 23 14.150 12.860 -16.874 1.00 0.00 C ATOM 356 O ASN A 23 13.340 13.474 -16.180 1.00 0.00 O ATOM 357 CB ASN A 23 16.041 11.421 -16.090 1.00 0.00 C ATOM 358 CG ASN A 23 16.244 11.960 -14.688 1.00 0.00 C ATOM 359 OD1 ASN A 23 16.102 11.234 -13.704 1.00 0.00 O ATOM 360 ND2 ASN A 23 16.579 13.242 -14.590 1.00 0.00 N ATOM 0 H ASN A 23 15.213 10.146 -18.035 1.00 0.00 H new ATOM 0 HA ASN A 23 13.956 11.095 -15.682 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.420 10.400 -16.142 1.00 0.00 H new ATOM 0 HB3 ASN A 23 16.626 12.014 -16.793 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.729 13.661 -13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.686 13.807 -15.432 1.00 0.00 H new ATOM 367 N TYR A 24 14.706 13.377 -17.964 1.00 0.00 N ATOM 368 CA TYR A 24 14.391 14.727 -18.416 1.00 0.00 C ATOM 369 C TYR A 24 12.886 14.908 -18.584 1.00 0.00 C ATOM 370 O TYR A 24 12.313 15.896 -18.126 1.00 0.00 O ATOM 371 CB TYR A 24 15.102 15.024 -19.737 1.00 0.00 C ATOM 372 CG TYR A 24 14.886 16.434 -20.238 1.00 0.00 C ATOM 373 CD1 TYR A 24 15.346 17.528 -19.514 1.00 0.00 C ATOM 374 CD2 TYR A 24 14.223 16.674 -21.435 1.00 0.00 C ATOM 375 CE1 TYR A 24 15.150 18.818 -19.967 1.00 0.00 C ATOM 376 CE2 TYR A 24 14.024 17.960 -21.896 1.00 0.00 C ATOM 377 CZ TYR A 24 14.489 19.029 -21.159 1.00 0.00 C ATOM 378 OH TYR A 24 14.293 20.313 -21.614 1.00 0.00 O ATOM 0 H TYR A 24 15.377 12.882 -18.551 1.00 0.00 H new ATOM 0 HA TYR A 24 14.740 15.427 -17.657 1.00 0.00 H new ATOM 0 HB2 TYR A 24 16.171 14.852 -19.611 1.00 0.00 H new ATOM 0 HB3 TYR A 24 14.753 14.321 -20.494 1.00 0.00 H new ATOM 0 HD1 TYR A 24 15.866 17.366 -18.581 1.00 0.00 H new ATOM 0 HD2 TYR A 24 13.857 15.840 -22.015 1.00 0.00 H new ATOM 0 HE1 TYR A 24 15.512 19.657 -19.391 1.00 0.00 H new ATOM 0 HE2 TYR A 24 13.507 18.128 -22.829 1.00 0.00 H new ATOM 0 HH TYR A 24 13.813 20.288 -22.468 1.00 0.00 H new ATOM 388 N ASP A 25 12.251 13.945 -19.244 1.00 0.00 N ATOM 389 CA ASP A 25 10.812 13.995 -19.473 1.00 0.00 C ATOM 390 C ASP A 25 10.048 13.861 -18.159 1.00 0.00 C ATOM 391 O ASP A 25 9.179 14.676 -17.848 1.00 0.00 O ATOM 392 CB ASP A 25 10.388 12.887 -20.439 1.00 0.00 C ATOM 393 CG ASP A 25 9.377 13.367 -21.462 1.00 0.00 C ATOM 394 OD1 ASP A 25 8.660 14.347 -21.172 1.00 0.00 O ATOM 395 OD2 ASP A 25 9.303 12.761 -22.551 1.00 0.00 O ATOM 0 H ASP A 25 12.711 13.120 -19.630 1.00 0.00 H new ATOM 0 HA ASP A 25 10.573 14.962 -19.915 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.268 12.502 -20.955 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.962 12.058 -19.873 1.00 0.00 H new ATOM 400 N CYS A 26 10.378 12.827 -17.392 1.00 0.00 N ATOM 401 CA CYS A 26 9.722 12.585 -16.112 1.00 0.00 C ATOM 402 C CYS A 26 9.814 13.813 -15.212 1.00 0.00 C ATOM 403 O CYS A 26 8.835 14.208 -14.579 1.00 0.00 O ATOM 404 CB CYS A 26 10.353 11.379 -15.413 1.00 0.00 C ATOM 405 SG CYS A 26 9.817 11.155 -13.687 1.00 0.00 S ATOM 0 H CYS A 26 11.095 12.144 -17.634 1.00 0.00 H new ATOM 0 HA CYS A 26 8.670 12.376 -16.305 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.111 10.478 -15.977 1.00 0.00 H new ATOM 0 HB3 CYS A 26 11.437 11.487 -15.434 1.00 0.00 H new ATOM 410 N LYS A 27 10.998 14.415 -15.161 1.00 0.00 N ATOM 411 CA LYS A 27 11.220 15.600 -14.340 1.00 0.00 C ATOM 412 C LYS A 27 10.670 16.847 -15.026 1.00 0.00 C ATOM 413 O LYS A 27 10.736 17.948 -14.479 1.00 0.00 O ATOM 414 CB LYS A 27 12.713 15.777 -14.057 1.00 0.00 C ATOM 415 CG LYS A 27 13.004 16.695 -12.882 1.00 0.00 C ATOM 416 CD LYS A 27 14.105 17.689 -13.211 1.00 0.00 C ATOM 417 CE LYS A 27 13.554 19.098 -13.373 1.00 0.00 C ATOM 418 NZ LYS A 27 14.567 20.027 -13.946 1.00 0.00 N ATOM 0 H LYS A 27 11.819 14.101 -15.679 1.00 0.00 H new ATOM 0 HA LYS A 27 10.692 15.463 -13.396 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.156 14.800 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.199 16.176 -14.948 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.097 17.233 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.297 16.099 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.854 17.679 -12.419 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.608 17.386 -14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.677 19.073 -14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.224 19.473 -12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.153 20.976 -14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.393 20.071 -13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.863 19.683 -14.882 1.00 0.00 H new ATOM 432 N LEU A 28 10.127 16.666 -16.225 1.00 0.00 N ATOM 433 CA LEU A 28 9.565 17.777 -16.985 1.00 0.00 C ATOM 434 C LEU A 28 8.043 17.793 -16.880 1.00 0.00 C ATOM 435 O LEU A 28 7.446 18.811 -16.531 1.00 0.00 O ATOM 436 CB LEU A 28 9.985 17.681 -18.453 1.00 0.00 C ATOM 437 CG LEU A 28 9.385 18.728 -19.393 1.00 0.00 C ATOM 438 CD1 LEU A 28 9.925 20.111 -19.065 1.00 0.00 C ATOM 439 CD2 LEU A 28 9.673 18.370 -20.843 1.00 0.00 C ATOM 0 H LEU A 28 10.064 15.761 -16.691 1.00 0.00 H new ATOM 0 HA LEU A 28 9.950 18.705 -16.563 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.071 17.755 -18.505 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.715 16.692 -18.823 1.00 0.00 H new ATOM 0 HG LEU A 28 8.304 18.740 -19.251 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.487 20.843 -19.744 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.666 20.368 -18.038 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.009 20.114 -19.178 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.239 19.126 -21.498 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.751 18.329 -21.001 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.236 17.398 -21.071 1.00 0.00 H new ATOM 451 N ASP A 29 7.422 16.658 -17.181 1.00 0.00 N ATOM 452 CA ASP A 29 5.970 16.540 -17.118 1.00 0.00 C ATOM 453 C ASP A 29 5.515 16.183 -15.706 1.00 0.00 C ATOM 454 O ASP A 29 4.606 16.806 -15.159 1.00 0.00 O ATOM 455 CB ASP A 29 5.479 15.483 -18.108 1.00 0.00 C ATOM 456 CG ASP A 29 4.999 16.090 -19.412 1.00 0.00 C ATOM 457 OD1 ASP A 29 3.960 16.782 -19.397 1.00 0.00 O ATOM 458 OD2 ASP A 29 5.663 15.872 -20.448 1.00 0.00 O ATOM 0 H ASP A 29 7.902 15.806 -17.471 1.00 0.00 H new ATOM 0 HA ASP A 29 5.540 17.505 -17.386 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.286 14.779 -18.313 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.667 14.914 -17.655 1.00 0.00 H new ATOM 463 N LYS A 30 6.153 15.174 -15.122 1.00 0.00 N ATOM 464 CA LYS A 30 5.815 14.732 -13.775 1.00 0.00 C ATOM 465 C LYS A 30 6.578 15.540 -12.730 1.00 0.00 C ATOM 466 O LYS A 30 6.225 15.538 -11.550 1.00 0.00 O ATOM 467 CB LYS A 30 6.127 13.243 -13.610 1.00 0.00 C ATOM 468 CG LYS A 30 5.611 12.384 -14.751 1.00 0.00 C ATOM 469 CD LYS A 30 4.641 11.323 -14.256 1.00 0.00 C ATOM 470 CE LYS A 30 3.625 10.955 -15.326 1.00 0.00 C ATOM 471 NZ LYS A 30 2.284 10.673 -14.743 1.00 0.00 N ATOM 0 H LYS A 30 6.908 14.647 -15.561 1.00 0.00 H new ATOM 0 HA LYS A 30 4.747 14.892 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.206 13.113 -13.528 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.691 12.890 -12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.115 13.016 -15.488 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.450 11.904 -15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.195 10.433 -13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.122 11.688 -13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.544 11.770 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.975 10.080 -15.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.620 10.426 -15.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.356 9.879 -14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.939 11.517 -14.242 1.00 0.00 H new ATOM 485 N HIS A 31 7.624 16.232 -13.171 1.00 0.00 N ATOM 486 CA HIS A 31 8.435 17.047 -12.274 1.00 0.00 C ATOM 487 C HIS A 31 8.966 16.212 -11.112 1.00 0.00 C ATOM 488 O HIS A 31 9.193 16.727 -10.018 1.00 0.00 O ATOM 489 CB HIS A 31 7.617 18.223 -11.740 1.00 0.00 C ATOM 490 CG HIS A 31 8.440 19.441 -11.447 1.00 0.00 C ATOM 491 ND1 HIS A 31 8.817 19.804 -10.172 1.00 0.00 N ATOM 492 CD2 HIS A 31 8.958 20.378 -12.274 1.00 0.00 C ATOM 493 CE1 HIS A 31 9.532 20.914 -10.226 1.00 0.00 C ATOM 494 NE2 HIS A 31 9.632 21.283 -11.491 1.00 0.00 N ATOM 0 H HIS A 31 7.930 16.244 -14.144 1.00 0.00 H new ATOM 0 HA HIS A 31 9.284 17.431 -12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.848 18.481 -12.468 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.103 17.914 -10.830 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.860 20.409 -13.349 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.961 21.431 -9.381 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.129 22.106 -11.831 1.00 0.00 H new ATOM 502 N ALA A 32 9.161 14.921 -11.359 1.00 0.00 N ATOM 503 CA ALA A 32 9.666 14.015 -10.334 1.00 0.00 C ATOM 504 C ALA A 32 11.166 14.198 -10.131 1.00 0.00 C ATOM 505 O ALA A 32 11.875 14.641 -11.034 1.00 0.00 O ATOM 506 CB ALA A 32 9.353 12.573 -10.704 1.00 0.00 C ATOM 0 H ALA A 32 8.977 14.479 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 32 9.167 14.254 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.736 11.908 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.274 12.446 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.825 12.331 -11.656 1.00 0.00 H new ATOM 512 N ARG A 33 11.643 13.855 -8.939 1.00 0.00 N ATOM 513 CA ARG A 33 13.059 13.984 -8.617 1.00 0.00 C ATOM 514 C ARG A 33 13.922 13.329 -9.691 1.00 0.00 C ATOM 515 O ARG A 33 14.973 13.852 -10.061 1.00 0.00 O ATOM 516 CB ARG A 33 13.354 13.352 -7.255 1.00 0.00 C ATOM 517 CG ARG A 33 12.998 14.246 -6.079 1.00 0.00 C ATOM 518 CD ARG A 33 11.843 13.673 -5.272 1.00 0.00 C ATOM 519 NE ARG A 33 11.900 14.080 -3.870 1.00 0.00 N ATOM 520 CZ ARG A 33 10.851 14.057 -3.056 1.00 0.00 C ATOM 521 NH1 ARG A 33 9.670 13.651 -3.501 1.00 0.00 N ATOM 522 NH2 ARG A 33 10.982 14.442 -1.793 1.00 0.00 N ATOM 0 H ARG A 33 11.070 13.486 -8.180 1.00 0.00 H new ATOM 0 HA ARG A 33 13.302 15.046 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.800 12.417 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.413 13.101 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.869 14.366 -5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.732 15.238 -6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.899 14.001 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.861 12.585 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 33 12.794 14.399 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.565 13.355 -4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.866 13.635 -2.873 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.889 14.756 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.176 14.424 -1.168 1.00 0.00 H new ATOM 536 N SER A 34 13.472 12.181 -10.186 1.00 0.00 N ATOM 537 CA SER A 34 14.205 11.452 -11.214 1.00 0.00 C ATOM 538 C SER A 34 13.272 10.537 -12.002 1.00 0.00 C ATOM 539 O SER A 34 12.065 10.509 -11.764 1.00 0.00 O ATOM 540 CB SER A 34 15.330 10.629 -10.582 1.00 0.00 C ATOM 541 OG SER A 34 15.439 10.896 -9.195 1.00 0.00 O ATOM 0 H SER A 34 12.603 11.735 -9.892 1.00 0.00 H new ATOM 0 HA SER A 34 14.638 12.179 -11.901 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.140 9.567 -10.737 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.274 10.859 -11.075 1.00 0.00 H new ATOM 0 HG SER A 34 16.163 10.357 -8.814 1.00 0.00 H new ATOM 547 N GLY A 35 13.841 9.789 -12.943 1.00 0.00 N ATOM 548 CA GLY A 35 13.047 8.884 -13.752 1.00 0.00 C ATOM 549 C GLY A 35 13.898 7.878 -14.502 1.00 0.00 C ATOM 550 O GLY A 35 14.940 8.228 -15.055 1.00 0.00 O ATOM 0 H GLY A 35 14.838 9.794 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.342 8.353 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.458 9.461 -14.465 1.00 0.00 H new ATOM 554 N GLU A 36 13.454 6.625 -14.519 1.00 0.00 N ATOM 555 CA GLU A 36 14.184 5.566 -15.204 1.00 0.00 C ATOM 556 C GLU A 36 13.240 4.704 -16.036 1.00 0.00 C ATOM 557 O GLU A 36 12.019 4.842 -15.953 1.00 0.00 O ATOM 558 CB GLU A 36 14.930 4.693 -14.192 1.00 0.00 C ATOM 559 CG GLU A 36 16.326 5.198 -13.865 1.00 0.00 C ATOM 560 CD GLU A 36 16.396 5.881 -12.513 1.00 0.00 C ATOM 561 OE1 GLU A 36 15.455 6.629 -12.176 1.00 0.00 O ATOM 562 OE2 GLU A 36 17.394 5.668 -11.793 1.00 0.00 O ATOM 0 H GLU A 36 12.593 6.319 -14.066 1.00 0.00 H new ATOM 0 HA GLU A 36 14.907 6.033 -15.873 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.348 4.639 -13.272 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.002 3.678 -14.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.024 4.361 -13.882 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.646 5.897 -14.638 1.00 0.00 H new ATOM 569 N CYS A 37 13.813 3.814 -16.840 1.00 0.00 N ATOM 570 CA CYS A 37 13.024 2.929 -17.689 1.00 0.00 C ATOM 571 C CYS A 37 13.115 1.486 -17.203 1.00 0.00 C ATOM 572 O CYS A 37 14.176 1.026 -16.781 1.00 0.00 O ATOM 573 CB CYS A 37 13.501 3.022 -19.139 1.00 0.00 C ATOM 574 SG CYS A 37 12.950 4.524 -20.010 1.00 0.00 S ATOM 0 H CYS A 37 14.822 3.687 -16.921 1.00 0.00 H new ATOM 0 HA CYS A 37 11.983 3.247 -17.635 1.00 0.00 H new ATOM 0 HB2 CYS A 37 14.590 2.985 -19.155 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.145 2.148 -19.684 1.00 0.00 H new ATOM 579 N PHE A 38 11.994 0.775 -17.265 1.00 0.00 N ATOM 580 CA PHE A 38 11.945 -0.616 -16.831 1.00 0.00 C ATOM 581 C PHE A 38 11.668 -1.545 -18.010 1.00 0.00 C ATOM 582 O PHE A 38 11.191 -1.109 -19.058 1.00 0.00 O ATOM 583 CB PHE A 38 10.870 -0.801 -15.758 1.00 0.00 C ATOM 584 CG PHE A 38 11.349 -0.490 -14.369 1.00 0.00 C ATOM 585 CD1 PHE A 38 12.004 0.700 -14.098 1.00 0.00 C ATOM 586 CD2 PHE A 38 11.143 -1.388 -13.334 1.00 0.00 C ATOM 587 CE1 PHE A 38 12.447 0.988 -12.821 1.00 0.00 C ATOM 588 CE2 PHE A 38 11.583 -1.106 -12.055 1.00 0.00 C ATOM 589 CZ PHE A 38 12.235 0.084 -11.798 1.00 0.00 C ATOM 0 H PHE A 38 11.107 1.140 -17.612 1.00 0.00 H new ATOM 0 HA PHE A 38 12.917 -0.873 -16.409 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.020 -0.160 -15.992 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.511 -1.830 -15.788 1.00 0.00 H new ATOM 0 HD1 PHE A 38 12.170 1.411 -14.894 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.632 -2.319 -13.529 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.958 1.919 -12.623 1.00 0.00 H new ATOM 0 HE2 PHE A 38 11.417 -1.815 -11.257 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.579 0.308 -10.799 1.00 0.00 H new ATOM 599 N TYR A 39 11.973 -2.825 -17.831 1.00 0.00 N ATOM 600 CA TYR A 39 11.760 -3.815 -18.880 1.00 0.00 C ATOM 601 C TYR A 39 10.521 -4.658 -18.591 1.00 0.00 C ATOM 602 O TYR A 39 10.595 -5.678 -17.905 1.00 0.00 O ATOM 603 CB TYR A 39 12.986 -4.720 -19.012 1.00 0.00 C ATOM 604 CG TYR A 39 13.720 -4.558 -20.325 1.00 0.00 C ATOM 605 CD1 TYR A 39 13.032 -4.559 -21.532 1.00 0.00 C ATOM 606 CD2 TYR A 39 15.100 -4.402 -20.357 1.00 0.00 C ATOM 607 CE1 TYR A 39 13.699 -4.412 -22.733 1.00 0.00 C ATOM 608 CE2 TYR A 39 15.774 -4.252 -21.553 1.00 0.00 C ATOM 609 CZ TYR A 39 15.069 -4.259 -22.739 1.00 0.00 C ATOM 610 OH TYR A 39 15.737 -4.111 -23.933 1.00 0.00 O ATOM 0 H TYR A 39 12.368 -3.202 -16.970 1.00 0.00 H new ATOM 0 HA TYR A 39 11.605 -3.284 -19.819 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.673 -4.509 -18.193 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.673 -5.759 -18.906 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.958 -4.677 -21.531 1.00 0.00 H new ATOM 0 HD2 TYR A 39 15.655 -4.398 -19.431 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.150 -4.417 -23.663 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.847 -4.130 -21.560 1.00 0.00 H new ATOM 0 HH TYR A 39 16.697 -4.013 -23.761 1.00 0.00 H new ATOM 620 N LYS A 40 9.382 -4.223 -19.120 1.00 0.00 N ATOM 621 CA LYS A 40 8.126 -4.936 -18.922 1.00 0.00 C ATOM 622 C LYS A 40 7.851 -5.886 -20.084 1.00 0.00 C ATOM 623 O LYS A 40 8.586 -5.903 -21.070 1.00 0.00 O ATOM 624 CB LYS A 40 6.970 -3.944 -18.777 1.00 0.00 C ATOM 625 CG LYS A 40 6.627 -3.617 -17.334 1.00 0.00 C ATOM 626 CD LYS A 40 7.536 -2.535 -16.776 1.00 0.00 C ATOM 627 CE LYS A 40 7.932 -2.827 -15.336 1.00 0.00 C ATOM 628 NZ LYS A 40 6.742 -2.969 -14.452 1.00 0.00 N ATOM 0 H LYS A 40 9.303 -3.380 -19.689 1.00 0.00 H new ATOM 0 HA LYS A 40 8.210 -5.523 -18.007 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.226 -3.022 -19.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.087 -4.353 -19.268 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.589 -3.290 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.715 -4.517 -16.725 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.432 -2.457 -17.392 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.030 -1.571 -16.827 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.522 -3.743 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.567 -2.023 -14.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.049 -2.998 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.105 -2.159 -14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.240 -3.849 -14.685 1.00 0.00 H new ATOM 642 N GLU A 41 6.788 -6.674 -19.959 1.00 0.00 N ATOM 643 CA GLU A 41 6.417 -7.626 -20.999 1.00 0.00 C ATOM 644 C GLU A 41 7.619 -8.465 -21.423 1.00 0.00 C ATOM 645 O GLU A 41 8.631 -8.519 -20.724 1.00 0.00 O ATOM 646 CB GLU A 41 5.841 -6.891 -22.212 1.00 0.00 C ATOM 647 CG GLU A 41 4.787 -5.858 -21.853 1.00 0.00 C ATOM 648 CD GLU A 41 3.545 -6.478 -21.241 1.00 0.00 C ATOM 649 OE1 GLU A 41 3.436 -7.722 -21.252 1.00 0.00 O ATOM 650 OE2 GLU A 41 2.683 -5.719 -20.752 1.00 0.00 O ATOM 0 H GLU A 41 6.169 -6.672 -19.148 1.00 0.00 H new ATOM 0 HA GLU A 41 5.657 -8.292 -20.591 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.653 -6.399 -22.747 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.405 -7.620 -22.895 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.212 -5.139 -21.153 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.508 -5.303 -22.749 1.00 0.00 H new ATOM 657 N LYS A 42 7.500 -9.120 -22.573 1.00 0.00 N ATOM 658 CA LYS A 42 8.575 -9.957 -23.092 1.00 0.00 C ATOM 659 C LYS A 42 9.653 -9.106 -23.758 1.00 0.00 C ATOM 660 O LYS A 42 10.845 -9.297 -23.516 1.00 0.00 O ATOM 661 CB LYS A 42 8.021 -10.972 -24.094 1.00 0.00 C ATOM 662 CG LYS A 42 8.160 -12.414 -23.639 1.00 0.00 C ATOM 663 CD LYS A 42 9.617 -12.800 -23.447 1.00 0.00 C ATOM 664 CE LYS A 42 9.759 -14.259 -23.041 1.00 0.00 C ATOM 665 NZ LYS A 42 11.168 -14.729 -23.145 1.00 0.00 N ATOM 0 H LYS A 42 6.669 -9.087 -23.164 1.00 0.00 H new ATOM 0 HA LYS A 42 9.023 -10.491 -22.254 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.968 -10.756 -24.272 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.537 -10.849 -25.046 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.619 -12.555 -22.703 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.702 -13.075 -24.375 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.166 -12.624 -24.372 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.065 -12.164 -22.684 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.408 -14.387 -22.017 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.123 -14.876 -23.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.223 -15.728 -22.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.495 -14.631 -24.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.772 -14.157 -22.521 1.00 0.00 H new ATOM 679 N ARG A 43 9.226 -8.168 -24.596 1.00 0.00 N ATOM 680 CA ARG A 43 10.154 -7.288 -25.296 1.00 0.00 C ATOM 681 C ARG A 43 9.808 -5.823 -25.047 1.00 0.00 C ATOM 682 O ARG A 43 10.692 -4.971 -24.970 1.00 0.00 O ATOM 683 CB ARG A 43 10.134 -7.581 -26.797 1.00 0.00 C ATOM 684 CG ARG A 43 10.541 -9.003 -27.147 1.00 0.00 C ATOM 685 CD ARG A 43 12.048 -9.128 -27.308 1.00 0.00 C ATOM 686 NE ARG A 43 12.425 -9.475 -28.675 1.00 0.00 N ATOM 687 CZ ARG A 43 13.639 -9.889 -29.020 1.00 0.00 C ATOM 688 NH1 ARG A 43 14.589 -10.005 -28.102 1.00 0.00 N ATOM 689 NH2 ARG A 43 13.906 -10.187 -30.285 1.00 0.00 N ATOM 0 H ARG A 43 8.243 -7.997 -24.807 1.00 0.00 H new ATOM 0 HA ARG A 43 11.156 -7.477 -24.910 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.131 -7.394 -27.181 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.804 -6.886 -27.303 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.200 -9.683 -26.366 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.049 -9.306 -28.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.522 -8.187 -27.029 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.424 -9.889 -26.624 1.00 0.00 H new ATOM 0 HE ARG A 43 11.717 -9.395 -29.405 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.388 -9.776 -27.129 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.520 -10.323 -28.369 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.178 -10.098 -30.994 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.839 -10.505 -30.548 1.00 0.00 H new ATOM 703 N ASN A 44 8.516 -5.539 -24.924 1.00 0.00 N ATOM 704 CA ASN A 44 8.052 -4.177 -24.685 1.00 0.00 C ATOM 705 C ASN A 44 8.831 -3.529 -23.544 1.00 0.00 C ATOM 706 O ASN A 44 9.479 -4.215 -22.753 1.00 0.00 O ATOM 707 CB ASN A 44 6.557 -4.173 -24.363 1.00 0.00 C ATOM 708 CG ASN A 44 5.938 -2.796 -24.505 1.00 0.00 C ATOM 709 OD1 ASN A 44 5.863 -2.035 -23.541 1.00 0.00 O ATOM 710 ND2 ASN A 44 5.489 -2.471 -25.712 1.00 0.00 N ATOM 0 H ASN A 44 7.771 -6.233 -24.986 1.00 0.00 H new ATOM 0 HA ASN A 44 8.222 -3.598 -25.593 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.044 -4.869 -25.026 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.407 -4.533 -23.345 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.061 -1.558 -25.868 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.572 -3.134 -26.483 1.00 0.00 H new ATOM 717 N LEU A 45 8.762 -2.205 -23.465 1.00 0.00 N ATOM 718 CA LEU A 45 9.460 -1.464 -22.420 1.00 0.00 C ATOM 719 C LEU A 45 8.548 -0.411 -21.798 1.00 0.00 C ATOM 720 O LEU A 45 7.584 0.035 -22.420 1.00 0.00 O ATOM 721 CB LEU A 45 10.713 -0.796 -22.990 1.00 0.00 C ATOM 722 CG LEU A 45 11.859 -0.568 -22.005 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.201 -0.681 -22.712 1.00 0.00 C ATOM 724 CD2 LEU A 45 11.721 0.790 -21.332 1.00 0.00 C ATOM 0 H LEU A 45 8.230 -1.622 -24.112 1.00 0.00 H new ATOM 0 HA LEU A 45 9.754 -2.170 -21.643 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.084 -1.407 -23.813 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.427 0.167 -23.412 1.00 0.00 H new ATOM 0 HG LEU A 45 11.811 -1.339 -21.236 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.005 -0.516 -21.995 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.301 -1.676 -23.146 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.260 0.067 -23.502 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.545 0.936 -20.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.743 1.575 -22.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.776 0.834 -20.791 1.00 0.00 H new ATOM 736 N GLN A 46 8.861 -0.017 -20.567 1.00 0.00 N ATOM 737 CA GLN A 46 8.070 0.984 -19.862 1.00 0.00 C ATOM 738 C GLN A 46 8.971 2.022 -19.201 1.00 0.00 C ATOM 739 O GLN A 46 10.167 1.795 -19.017 1.00 0.00 O ATOM 740 CB GLN A 46 7.184 0.316 -18.809 1.00 0.00 C ATOM 741 CG GLN A 46 5.748 0.110 -19.264 1.00 0.00 C ATOM 742 CD GLN A 46 4.992 -0.867 -18.385 1.00 0.00 C ATOM 743 OE1 GLN A 46 4.572 -1.931 -18.840 1.00 0.00 O ATOM 744 NE2 GLN A 46 4.814 -0.510 -17.119 1.00 0.00 N ATOM 0 H GLN A 46 9.656 -0.376 -20.038 1.00 0.00 H new ATOM 0 HA GLN A 46 7.437 1.490 -20.591 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.614 -0.650 -18.544 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.186 0.925 -17.905 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.230 1.069 -19.264 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.745 -0.254 -20.291 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.179 0.382 -16.784 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.312 -1.127 -16.481 1.00 0.00 H new ATOM 753 N CYS A 47 8.389 3.163 -18.847 1.00 0.00 N ATOM 754 CA CYS A 47 9.138 4.238 -18.207 1.00 0.00 C ATOM 755 C CYS A 47 8.528 4.596 -16.855 1.00 0.00 C ATOM 756 O CYS A 47 7.366 4.997 -16.773 1.00 0.00 O ATOM 757 CB CYS A 47 9.168 5.474 -19.109 1.00 0.00 C ATOM 758 SG CYS A 47 10.841 5.975 -19.628 1.00 0.00 S ATOM 0 H CYS A 47 7.400 3.367 -18.993 1.00 0.00 H new ATOM 0 HA CYS A 47 10.158 3.890 -18.045 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.567 5.277 -19.997 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.698 6.305 -18.584 1.00 0.00 H new ATOM 763 N ILE A 48 9.320 4.450 -15.798 1.00 0.00 N ATOM 764 CA ILE A 48 8.858 4.760 -14.451 1.00 0.00 C ATOM 765 C ILE A 48 9.568 5.990 -13.896 1.00 0.00 C ATOM 766 O ILE A 48 10.751 6.209 -14.157 1.00 0.00 O ATOM 767 CB ILE A 48 9.085 3.575 -13.492 1.00 0.00 C ATOM 768 CG1 ILE A 48 8.560 2.280 -14.115 1.00 0.00 C ATOM 769 CG2 ILE A 48 8.408 3.839 -12.155 1.00 0.00 C ATOM 770 CD1 ILE A 48 8.533 1.114 -13.152 1.00 0.00 C ATOM 0 H ILE A 48 10.284 4.119 -15.848 1.00 0.00 H new ATOM 0 HA ILE A 48 7.789 4.961 -14.522 1.00 0.00 H new ATOM 0 HB ILE A 48 10.156 3.465 -13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.552 2.451 -14.494 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.183 2.020 -14.971 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.577 2.993 -11.488 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.824 4.742 -11.708 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.337 3.971 -12.309 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.150 0.230 -13.662 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.543 0.916 -12.792 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.887 1.354 -12.308 1.00 0.00 H new ATOM 782 N CYS A 49 8.837 6.791 -13.128 1.00 0.00 N ATOM 783 CA CYS A 49 9.395 8.000 -12.534 1.00 0.00 C ATOM 784 C CYS A 49 9.949 7.716 -11.141 1.00 0.00 C ATOM 785 O CYS A 49 9.866 6.592 -10.646 1.00 0.00 O ATOM 786 CB CYS A 49 8.329 9.095 -12.457 1.00 0.00 C ATOM 787 SG CYS A 49 8.170 10.086 -13.977 1.00 0.00 S ATOM 0 H CYS A 49 7.856 6.624 -12.902 1.00 0.00 H new ATOM 0 HA CYS A 49 10.213 8.342 -13.169 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.366 8.635 -12.234 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.565 9.759 -11.626 1.00 0.00 H new ATOM 792 N ASP A 50 10.513 8.743 -10.514 1.00 0.00 N ATOM 793 CA ASP A 50 11.080 8.605 -9.178 1.00 0.00 C ATOM 794 C ASP A 50 10.749 9.821 -8.319 1.00 0.00 C ATOM 795 O ASP A 50 10.792 10.957 -8.791 1.00 0.00 O ATOM 796 CB ASP A 50 12.596 8.420 -9.260 1.00 0.00 C ATOM 797 CG ASP A 50 13.164 7.737 -8.031 1.00 0.00 C ATOM 798 OD1 ASP A 50 12.711 8.058 -6.912 1.00 0.00 O ATOM 799 OD2 ASP A 50 14.061 6.883 -8.188 1.00 0.00 O ATOM 0 H ASP A 50 10.589 9.680 -10.910 1.00 0.00 H new ATOM 0 HA ASP A 50 10.639 7.723 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.840 7.831 -10.144 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.072 9.393 -9.384 1.00 0.00 H new ATOM 804 N TYR A 51 10.418 9.575 -7.056 1.00 0.00 N ATOM 805 CA TYR A 51 10.076 10.650 -6.132 1.00 0.00 C ATOM 806 C TYR A 51 10.777 10.459 -4.791 1.00 0.00 C ATOM 807 O TYR A 51 10.305 10.933 -3.757 1.00 0.00 O ATOM 808 CB TYR A 51 8.562 10.710 -5.925 1.00 0.00 C ATOM 809 CG TYR A 51 7.808 11.248 -7.120 1.00 0.00 C ATOM 810 CD1 TYR A 51 7.719 12.614 -7.353 1.00 0.00 C ATOM 811 CD2 TYR A 51 7.185 10.388 -8.017 1.00 0.00 C ATOM 812 CE1 TYR A 51 7.030 13.110 -8.444 1.00 0.00 C ATOM 813 CE2 TYR A 51 6.495 10.874 -9.111 1.00 0.00 C ATOM 814 CZ TYR A 51 6.420 12.236 -9.319 1.00 0.00 C ATOM 815 OH TYR A 51 5.735 12.725 -10.408 1.00 0.00 O ATOM 0 H TYR A 51 10.379 8.641 -6.649 1.00 0.00 H new ATOM 0 HA TYR A 51 10.414 11.590 -6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.195 9.710 -5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.347 11.335 -5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.196 13.301 -6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.241 9.322 -7.856 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.970 14.175 -8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.017 10.192 -9.799 1.00 0.00 H new ATOM 0 HH TYR A 51 6.041 13.635 -10.605 1.00 0.00 H new