USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 358 hydrogens (1 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 29 GLN : amide:sc= 0 X(o=0.0087,f=0.0087) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0.00874 USER MOD Set 2.1: A 18 LYS NZ :NH3+ -168:sc= 1.73 (180deg=0.546) USER MOD Set 2.2: A 36 THR OG1 : rot 56:sc= 1.69 USER MOD Single : A 1 ASP N :NH3+ -120:sc= 0.394 (180deg=0.37) USER MOD Single : A 2 GLN : amide:sc= -0.895 K(o=-0.9,f=-2.8!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 2.24 (180deg=2.19) USER MOD Single : A 10 THR OG1 : rot 67:sc= 0.708 USER MOD Single : A 14 ASN : amide:sc= 0.823 K(o=0.82,f=-0.26) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0.653 (180deg=0.396) USER MOD Single : A 20 GLN : amide:sc= 0.655 K(o=0.66,f=0) USER MOD Single : A 26 SER OG : rot -61:sc= 1 USER MOD Single : A 27 TYR OH : rot 47:sc= 1.05 USER MOD Single : A 28 TYR OH : rot 103:sc= 0.0993 USER MOD Single : A 30 SER OG : rot 122:sc= 0.977 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.08) USER MOD Single : A 42 GLN : amide:sc= -0.151 K(o=-0.15,f=-5!) USER MOD Single : A 44 THR OG1 : rot 57:sc= 0.254 USER MOD Single : A 50 THR OG1 : rot -50:sc= 0.291 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 3.711 1.297 0.444 1.00 0.00 N ATOM 2 CA ASP A 1 2.654 2.315 0.332 1.00 0.00 C ATOM 3 C ASP A 1 2.054 2.661 1.691 1.00 0.00 C ATOM 4 O ASP A 1 2.085 3.821 2.099 1.00 0.00 O ATOM 5 CB ASP A 1 1.582 1.875 -0.665 1.00 0.00 C ATOM 6 CG ASP A 1 2.147 1.899 -2.072 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.280 3.027 -2.589 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.468 0.808 -2.589 1.00 0.00 O ATOM 0 H1 ASP A 1 4.606 1.685 0.085 1.00 0.00 H new ATOM 0 H2 ASP A 1 3.827 1.025 1.441 1.00 0.00 H new ATOM 0 H3 ASP A 1 3.448 0.460 -0.115 1.00 0.00 H new ATOM 0 HA ASP A 1 3.111 3.228 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.235 0.871 -0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.718 2.536 -0.599 1.00 0.00 H new ATOM 15 N GLN A 2 1.532 1.654 2.395 1.00 0.00 N ATOM 16 CA GLN A 2 1.118 1.769 3.784 1.00 0.00 C ATOM 17 C GLN A 2 2.269 1.299 4.670 1.00 0.00 C ATOM 18 O GLN A 2 2.606 1.965 5.648 1.00 0.00 O ATOM 19 CB GLN A 2 -0.147 0.940 4.049 1.00 0.00 C ATOM 20 CG GLN A 2 -1.367 1.456 3.277 1.00 0.00 C ATOM 21 CD GLN A 2 -1.375 1.011 1.817 1.00 0.00 C ATOM 22 OE1 GLN A 2 -1.179 1.817 0.912 1.00 0.00 O ATOM 23 NE2 GLN A 2 -1.627 -0.276 1.585 1.00 0.00 N ATOM 0 H GLN A 2 1.385 0.723 2.004 1.00 0.00 H new ATOM 0 HA GLN A 2 0.877 2.808 4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.040 -0.098 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.367 0.951 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.276 1.103 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.385 2.545 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.784 -0.914 2.365 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.663 -0.624 0.627 1.00 0.00 H new ATOM 32 N GLU A 3 2.873 0.157 4.321 1.00 0.00 N ATOM 33 CA GLU A 3 3.939 -0.459 5.098 1.00 0.00 C ATOM 34 C GLU A 3 5.244 0.339 5.016 1.00 0.00 C ATOM 35 O GLU A 3 6.023 0.335 5.967 1.00 0.00 O ATOM 36 CB GLU A 3 4.116 -1.919 4.660 1.00 0.00 C ATOM 37 CG GLU A 3 4.730 -2.054 3.259 1.00 0.00 C ATOM 38 CD GLU A 3 4.510 -3.440 2.651 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.376 -3.953 2.765 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.479 -3.954 2.050 1.00 0.00 O ATOM 0 H GLU A 3 2.628 -0.366 3.480 1.00 0.00 H new ATOM 0 HA GLU A 3 3.656 -0.450 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.751 -2.434 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.147 -2.417 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.296 -1.300 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.800 -1.851 3.314 1.00 0.00 H new ATOM 47 N SER A 4 5.482 1.021 3.888 1.00 0.00 N ATOM 48 CA SER A 4 6.686 1.807 3.651 1.00 0.00 C ATOM 49 C SER A 4 6.421 2.817 2.532 1.00 0.00 C ATOM 50 O SER A 4 5.288 2.946 2.072 1.00 0.00 O ATOM 51 CB SER A 4 7.843 0.860 3.300 1.00 0.00 C ATOM 52 OG SER A 4 7.561 0.176 2.099 1.00 0.00 O ATOM 0 H SER A 4 4.828 1.038 3.105 1.00 0.00 H new ATOM 0 HA SER A 4 6.962 2.364 4.546 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.768 1.426 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.996 0.145 4.108 1.00 0.00 H new ATOM 0 HG SER A 4 8.305 -0.424 1.882 1.00 0.00 H new ATOM 58 N CYS A 5 7.467 3.515 2.078 1.00 0.00 N ATOM 59 CA CYS A 5 7.415 4.374 0.907 1.00 0.00 C ATOM 60 C CYS A 5 7.622 3.520 -0.340 1.00 0.00 C ATOM 61 O CYS A 5 8.657 2.871 -0.480 1.00 0.00 O ATOM 62 CB CYS A 5 8.496 5.453 1.014 1.00 0.00 C ATOM 63 SG CYS A 5 8.845 6.392 -0.501 1.00 0.00 S ATOM 0 H CYS A 5 8.383 3.494 2.525 1.00 0.00 H new ATOM 0 HA CYS A 5 6.445 4.867 0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.202 6.156 1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.421 4.980 1.344 1.00 0.00 H new ATOM 68 N LYS A 6 6.630 3.528 -1.237 1.00 0.00 N ATOM 69 CA LYS A 6 6.712 2.917 -2.556 1.00 0.00 C ATOM 70 C LYS A 6 6.068 3.865 -3.565 1.00 0.00 C ATOM 71 O LYS A 6 6.726 4.313 -4.503 1.00 0.00 O ATOM 72 CB LYS A 6 6.015 1.550 -2.573 1.00 0.00 C ATOM 73 CG LYS A 6 6.621 0.550 -1.583 1.00 0.00 C ATOM 74 CD LYS A 6 5.897 -0.794 -1.713 1.00 0.00 C ATOM 75 CE LYS A 6 6.301 -1.748 -0.584 1.00 0.00 C ATOM 76 NZ LYS A 6 5.430 -2.934 -0.540 1.00 0.00 N ATOM 0 H LYS A 6 5.729 3.971 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 6 7.757 2.749 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.959 1.685 -2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.070 1.134 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.685 0.423 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.530 0.928 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.819 -0.634 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.132 -1.246 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.336 -2.061 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.252 -1.224 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.654 -3.498 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.435 -2.633 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.584 -3.510 -1.392 1.00 0.00 H new ATOM 90 N GLY A 7 4.778 4.162 -3.364 1.00 0.00 N ATOM 91 CA GLY A 7 3.973 5.024 -4.211 1.00 0.00 C ATOM 92 C GLY A 7 3.447 6.212 -3.412 1.00 0.00 C ATOM 93 O GLY A 7 3.561 7.352 -3.858 1.00 0.00 O ATOM 0 H GLY A 7 4.254 3.789 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.569 5.378 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.139 4.459 -4.627 1.00 0.00 H new ATOM 97 N ARG A 8 2.875 5.945 -2.230 1.00 0.00 N ATOM 98 CA ARG A 8 2.290 6.968 -1.369 1.00 0.00 C ATOM 99 C ARG A 8 3.392 7.702 -0.597 1.00 0.00 C ATOM 100 O ARG A 8 3.437 7.645 0.631 1.00 0.00 O ATOM 101 CB ARG A 8 1.292 6.333 -0.391 1.00 0.00 C ATOM 102 CG ARG A 8 0.134 5.613 -1.088 1.00 0.00 C ATOM 103 CD ARG A 8 -0.812 4.959 -0.073 1.00 0.00 C ATOM 104 NE ARG A 8 -1.491 5.940 0.784 1.00 0.00 N ATOM 105 CZ ARG A 8 -1.153 6.274 2.042 1.00 0.00 C ATOM 106 NH1 ARG A 8 -0.048 5.784 2.625 1.00 0.00 N ATOM 107 NH2 ARG A 8 -1.939 7.115 2.728 1.00 0.00 N ATOM 0 H ARG A 8 2.808 5.002 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 8 1.759 7.687 -1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.820 5.624 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.889 7.109 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.422 6.323 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.529 4.852 -1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.559 4.370 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.246 4.267 0.551 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.300 6.416 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.557 5.143 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.186 6.053 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.782 7.493 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.695 7.377 3.683 1.00 0.00 H new ATOM 121 N CYS A 9 4.275 8.399 -1.318 1.00 0.00 N ATOM 122 CA CYS A 9 5.402 9.135 -0.768 1.00 0.00 C ATOM 123 C CYS A 9 6.053 9.955 -1.879 1.00 0.00 C ATOM 124 O CYS A 9 5.681 9.833 -3.046 1.00 0.00 O ATOM 125 CB CYS A 9 6.425 8.175 -0.149 1.00 0.00 C ATOM 126 SG CYS A 9 7.019 6.893 -1.277 1.00 0.00 S ATOM 0 H CYS A 9 4.217 8.464 -2.334 1.00 0.00 H new ATOM 0 HA CYS A 9 5.046 9.801 0.018 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.278 8.752 0.208 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.977 7.697 0.722 1.00 0.00 H new ATOM 131 N THR A 10 7.029 10.787 -1.500 1.00 0.00 N ATOM 132 CA THR A 10 7.804 11.621 -2.402 1.00 0.00 C ATOM 133 C THR A 10 8.517 10.770 -3.452 1.00 0.00 C ATOM 134 O THR A 10 8.403 11.052 -4.644 1.00 0.00 O ATOM 135 CB THR A 10 8.783 12.472 -1.579 1.00 0.00 C ATOM 136 OG1 THR A 10 9.292 11.727 -0.490 1.00 0.00 O ATOM 137 CG2 THR A 10 8.064 13.700 -1.012 1.00 0.00 C ATOM 0 H THR A 10 7.304 10.896 -0.524 1.00 0.00 H new ATOM 0 HA THR A 10 7.141 12.292 -2.948 1.00 0.00 H new ATOM 0 HB THR A 10 9.597 12.776 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.860 11.003 -0.826 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.767 14.297 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.669 14.301 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.244 13.377 -0.371 1.00 0.00 H new ATOM 145 N GLU A 11 9.216 9.714 -3.021 1.00 0.00 N ATOM 146 CA GLU A 11 9.868 8.766 -3.915 1.00 0.00 C ATOM 147 C GLU A 11 8.829 7.740 -4.368 1.00 0.00 C ATOM 148 O GLU A 11 8.941 6.551 -4.075 1.00 0.00 O ATOM 149 CB GLU A 11 11.072 8.108 -3.222 1.00 0.00 C ATOM 150 CG GLU A 11 12.221 9.089 -2.942 1.00 0.00 C ATOM 151 CD GLU A 11 11.864 10.159 -1.916 1.00 0.00 C ATOM 152 OE1 GLU A 11 11.265 9.786 -0.883 1.00 0.00 O ATOM 153 OE2 GLU A 11 12.164 11.340 -2.191 1.00 0.00 O ATOM 0 H GLU A 11 9.343 9.496 -2.033 1.00 0.00 H new ATOM 0 HA GLU A 11 10.261 9.279 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.744 7.665 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.442 7.294 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.088 8.531 -2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.512 9.572 -3.875 1.00 0.00 H new ATOM 160 N GLY A 12 7.803 8.224 -5.072 1.00 0.00 N ATOM 161 CA GLY A 12 6.675 7.437 -5.528 1.00 0.00 C ATOM 162 C GLY A 12 5.690 8.349 -6.255 1.00 0.00 C ATOM 163 O GLY A 12 5.964 9.534 -6.439 1.00 0.00 O ATOM 0 H GLY A 12 7.741 9.205 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.015 6.644 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.186 6.955 -4.681 1.00 0.00 H new ATOM 167 N PHE A 13 4.540 7.795 -6.655 1.00 0.00 N ATOM 168 CA PHE A 13 3.432 8.549 -7.219 1.00 0.00 C ATOM 169 C PHE A 13 2.131 7.995 -6.643 1.00 0.00 C ATOM 170 O PHE A 13 1.743 6.868 -6.945 1.00 0.00 O ATOM 171 CB PHE A 13 3.471 8.475 -8.749 1.00 0.00 C ATOM 172 CG PHE A 13 2.352 9.190 -9.491 1.00 0.00 C ATOM 173 CD1 PHE A 13 1.748 10.353 -8.972 1.00 0.00 C ATOM 174 CD2 PHE A 13 1.988 8.739 -10.772 1.00 0.00 C ATOM 175 CE1 PHE A 13 0.759 11.025 -9.709 1.00 0.00 C ATOM 176 CE2 PHE A 13 0.989 9.401 -11.502 1.00 0.00 C ATOM 177 CZ PHE A 13 0.376 10.547 -10.972 1.00 0.00 C ATOM 0 H PHE A 13 4.357 6.793 -6.592 1.00 0.00 H new ATOM 0 HA PHE A 13 3.505 9.604 -6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.422 8.887 -9.087 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.457 7.425 -9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.047 10.729 -8.004 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.481 7.877 -11.197 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.293 11.911 -9.303 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.692 9.029 -12.471 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.389 11.060 -11.535 1.00 0.00 H new ATOM 187 N ASN A 14 1.484 8.799 -5.793 1.00 0.00 N ATOM 188 CA ASN A 14 0.317 8.423 -5.010 1.00 0.00 C ATOM 189 C ASN A 14 -0.850 7.977 -5.888 1.00 0.00 C ATOM 190 O ASN A 14 -1.490 6.971 -5.595 1.00 0.00 O ATOM 191 CB ASN A 14 -0.087 9.618 -4.140 1.00 0.00 C ATOM 192 CG ASN A 14 -1.252 9.286 -3.214 1.00 0.00 C ATOM 193 OD1 ASN A 14 -2.410 9.361 -3.614 1.00 0.00 O ATOM 194 ND2 ASN A 14 -0.944 8.940 -1.965 1.00 0.00 N ATOM 0 H ASN A 14 1.774 9.763 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 14 0.576 7.568 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.768 9.938 -3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.361 10.456 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.685 8.725 -1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.033 8.890 -1.676 1.00 0.00 H new ATOM 201 N VAL A 15 -1.143 8.742 -6.945 1.00 0.00 N ATOM 202 CA VAL A 15 -2.347 8.561 -7.744 1.00 0.00 C ATOM 203 C VAL A 15 -2.258 7.265 -8.549 1.00 0.00 C ATOM 204 O VAL A 15 -3.232 6.515 -8.608 1.00 0.00 O ATOM 205 CB VAL A 15 -2.580 9.783 -8.648 1.00 0.00 C ATOM 206 CG1 VAL A 15 -3.885 9.637 -9.441 1.00 0.00 C ATOM 207 CG2 VAL A 15 -2.650 11.076 -7.824 1.00 0.00 C ATOM 0 H VAL A 15 -0.547 9.504 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.207 8.478 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.737 9.837 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.027 10.514 -10.073 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.834 8.745 -10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.723 9.548 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.815 11.923 -8.490 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.472 11.009 -7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.713 11.215 -7.285 1.00 0.00 H new ATOM 217 N ASP A 16 -1.098 6.984 -9.151 1.00 0.00 N ATOM 218 CA ASP A 16 -0.861 5.709 -9.811 1.00 0.00 C ATOM 219 C ASP A 16 -0.885 4.591 -8.773 1.00 0.00 C ATOM 220 O ASP A 16 -1.727 3.694 -8.839 1.00 0.00 O ATOM 221 CB ASP A 16 0.484 5.747 -10.543 1.00 0.00 C ATOM 222 CG ASP A 16 0.891 4.365 -11.045 1.00 0.00 C ATOM 223 OD1 ASP A 16 0.181 3.847 -11.934 1.00 0.00 O ATOM 224 OD2 ASP A 16 1.893 3.838 -10.517 1.00 0.00 O ATOM 0 H ASP A 16 -0.309 7.629 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.644 5.521 -10.545 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.421 6.436 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.253 6.132 -9.873 1.00 0.00 H new ATOM 229 N LYS A 17 0.052 4.656 -7.824 1.00 0.00 N ATOM 230 CA LYS A 17 0.308 3.612 -6.854 1.00 0.00 C ATOM 231 C LYS A 17 -0.138 4.082 -5.472 1.00 0.00 C ATOM 232 O LYS A 17 0.620 4.716 -4.740 1.00 0.00 O ATOM 233 CB LYS A 17 1.791 3.230 -6.932 1.00 0.00 C ATOM 234 CG LYS A 17 2.134 2.049 -6.016 1.00 0.00 C ATOM 235 CD LYS A 17 3.631 1.715 -6.031 1.00 0.00 C ATOM 236 CE LYS A 17 4.170 1.300 -7.407 1.00 0.00 C ATOM 237 NZ LYS A 17 3.441 0.149 -7.967 1.00 0.00 N ATOM 0 H LYS A 17 0.666 5.463 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.267 2.711 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.045 2.975 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.401 4.090 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.826 2.282 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.566 1.173 -6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.189 2.584 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.819 0.909 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.096 2.143 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.228 1.051 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.782 -0.042 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.602 -0.687 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.424 0.363 -7.996 1.00 0.00 H new ATOM 251 N LYS A 18 -1.376 3.726 -5.119 1.00 0.00 N ATOM 252 CA LYS A 18 -1.895 3.762 -3.764 1.00 0.00 C ATOM 253 C LYS A 18 -2.045 2.316 -3.312 1.00 0.00 C ATOM 254 O LYS A 18 -3.156 1.856 -3.061 1.00 0.00 O ATOM 255 CB LYS A 18 -3.212 4.545 -3.701 1.00 0.00 C ATOM 256 CG LYS A 18 -4.242 4.124 -4.757 1.00 0.00 C ATOM 257 CD LYS A 18 -4.221 5.088 -5.946 1.00 0.00 C ATOM 258 CE LYS A 18 -5.145 4.611 -7.067 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.503 3.571 -7.888 1.00 0.00 N ATOM 0 H LYS A 18 -2.062 3.395 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.217 4.287 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.650 4.419 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.997 5.607 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.027 3.112 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.238 4.106 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.528 6.081 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.203 5.178 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.068 4.220 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.420 5.456 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.063 3.414 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.544 3.878 -8.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.448 2.685 -7.346 1.00 0.00 H new ATOM 273 N CYS A 19 -0.916 1.596 -3.293 1.00 0.00 N ATOM 274 CA CYS A 19 -0.865 0.144 -3.354 1.00 0.00 C ATOM 275 C CYS A 19 -1.544 -0.330 -4.636 1.00 0.00 C ATOM 276 O CYS A 19 -2.761 -0.504 -4.676 1.00 0.00 O ATOM 277 CB CYS A 19 -1.468 -0.525 -2.118 1.00 0.00 C ATOM 278 SG CYS A 19 -1.462 -2.322 -2.288 1.00 0.00 S ATOM 0 H CYS A 19 0.007 2.026 -3.233 1.00 0.00 H new ATOM 0 HA CYS A 19 0.183 -0.156 -3.366 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.902 -0.238 -1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.489 -0.173 -1.971 1.00 0.00 H new ATOM 283 N GLN A 20 -0.748 -0.530 -5.690 1.00 0.00 N ATOM 284 CA GLN A 20 -1.233 -1.018 -6.967 1.00 0.00 C ATOM 285 C GLN A 20 -1.300 -2.540 -6.907 1.00 0.00 C ATOM 286 O GLN A 20 -2.373 -3.112 -7.083 1.00 0.00 O ATOM 287 CB GLN A 20 -0.338 -0.487 -8.091 1.00 0.00 C ATOM 288 CG GLN A 20 -0.979 -0.690 -9.465 1.00 0.00 C ATOM 289 CD GLN A 20 -0.270 0.154 -10.520 1.00 0.00 C ATOM 290 OE1 GLN A 20 0.482 -0.372 -11.338 1.00 0.00 O ATOM 291 NE2 GLN A 20 -0.508 1.467 -10.498 1.00 0.00 N ATOM 0 H GLN A 20 0.257 -0.354 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.239 -0.656 -7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.145 0.574 -7.932 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.626 -0.995 -8.060 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.931 -1.743 -9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.034 -0.419 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.140 1.859 -9.800 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.058 2.078 -11.179 1.00 0.00 H new ATOM 300 N CYS A 21 -0.161 -3.174 -6.612 1.00 0.00 N ATOM 301 CA CYS A 21 -0.056 -4.590 -6.289 1.00 0.00 C ATOM 302 C CYS A 21 1.335 -4.824 -5.695 1.00 0.00 C ATOM 303 O CYS A 21 2.183 -5.466 -6.313 1.00 0.00 O ATOM 304 CB CYS A 21 -0.318 -5.467 -7.522 1.00 0.00 C ATOM 305 SG CYS A 21 -0.485 -7.229 -7.126 1.00 0.00 S ATOM 0 H CYS A 21 0.739 -2.695 -6.592 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.817 -4.874 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.227 -5.125 -8.016 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.499 -5.337 -8.232 1.00 0.00 H new ATOM 310 N ASP A 22 1.579 -4.236 -4.517 1.00 0.00 N ATOM 311 CA ASP A 22 2.909 -3.997 -3.972 1.00 0.00 C ATOM 312 C ASP A 22 3.068 -4.537 -2.551 1.00 0.00 C ATOM 313 O ASP A 22 4.153 -4.984 -2.181 1.00 0.00 O ATOM 314 CB ASP A 22 3.169 -2.486 -3.954 1.00 0.00 C ATOM 315 CG ASP A 22 3.051 -1.862 -5.339 1.00 0.00 C ATOM 316 OD1 ASP A 22 4.080 -1.838 -6.049 1.00 0.00 O ATOM 317 OD2 ASP A 22 1.937 -1.407 -5.680 1.00 0.00 O ATOM 0 H ASP A 22 0.832 -3.907 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 22 3.624 -4.521 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.460 -2.006 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.166 -2.296 -3.556 1.00 0.00 H new ATOM 322 N GLU A 23 2.014 -4.418 -1.740 1.00 0.00 N ATOM 323 CA GLU A 23 2.073 -4.538 -0.292 1.00 0.00 C ATOM 324 C GLU A 23 1.947 -5.985 0.168 1.00 0.00 C ATOM 325 O GLU A 23 1.611 -6.875 -0.606 1.00 0.00 O ATOM 326 CB GLU A 23 0.920 -3.726 0.309 1.00 0.00 C ATOM 327 CG GLU A 23 1.004 -2.234 -0.009 1.00 0.00 C ATOM 328 CD GLU A 23 2.102 -1.543 0.776 1.00 0.00 C ATOM 329 OE1 GLU A 23 1.805 -1.075 1.895 1.00 0.00 O ATOM 330 OE2 GLU A 23 3.219 -1.447 0.225 1.00 0.00 O ATOM 0 H GLU A 23 1.074 -4.231 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 23 3.041 -4.165 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.026 -4.118 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.915 -3.861 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.183 -2.101 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.047 -1.762 0.215 1.00 0.00 H new ATOM 337 N LEU A 24 2.134 -6.189 1.475 1.00 0.00 N ATOM 338 CA LEU A 24 1.678 -7.381 2.174 1.00 0.00 C ATOM 339 C LEU A 24 0.220 -7.651 1.799 1.00 0.00 C ATOM 340 O LEU A 24 -0.117 -8.751 1.367 1.00 0.00 O ATOM 341 CB LEU A 24 1.824 -7.177 3.689 1.00 0.00 C ATOM 342 CG LEU A 24 3.291 -7.116 4.147 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.359 -6.502 5.549 1.00 0.00 C ATOM 344 CD2 LEU A 24 3.929 -8.510 4.178 1.00 0.00 C ATOM 0 H LEU A 24 2.612 -5.520 2.079 1.00 0.00 H new ATOM 0 HA LEU A 24 2.282 -8.241 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.320 -6.254 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.320 -7.991 4.210 1.00 0.00 H new ATOM 0 HG LEU A 24 3.843 -6.503 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.398 -6.457 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.942 -5.495 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.786 -7.116 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.965 -8.429 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.378 -9.147 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.898 -8.947 3.180 1.00 0.00 H new ATOM 356 N CYS A 25 -0.618 -6.616 1.922 1.00 0.00 N ATOM 357 CA CYS A 25 -2.020 -6.611 1.529 1.00 0.00 C ATOM 358 C CYS A 25 -2.232 -7.170 0.123 1.00 0.00 C ATOM 359 O CYS A 25 -3.102 -8.016 -0.063 1.00 0.00 O ATOM 360 CB CYS A 25 -2.578 -5.193 1.686 1.00 0.00 C ATOM 361 SG CYS A 25 -2.870 -4.744 3.415 1.00 0.00 S ATOM 0 H CYS A 25 -0.319 -5.724 2.316 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.573 -7.280 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.881 -4.482 1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.513 -5.111 1.131 1.00 0.00 H new ATOM 366 N SER A 26 -1.435 -6.726 -0.857 1.00 0.00 N ATOM 367 CA SER A 26 -1.525 -7.181 -2.238 1.00 0.00 C ATOM 368 C SER A 26 -1.382 -8.693 -2.370 1.00 0.00 C ATOM 369 O SER A 26 -2.046 -9.298 -3.210 1.00 0.00 O ATOM 370 CB SER A 26 -0.440 -6.504 -3.070 1.00 0.00 C ATOM 371 OG SER A 26 -0.572 -5.113 -2.931 1.00 0.00 O ATOM 0 H SER A 26 -0.703 -6.032 -0.705 1.00 0.00 H new ATOM 0 HA SER A 26 -2.517 -6.911 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.547 -6.825 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.533 -6.790 -4.118 1.00 0.00 H new ATOM 0 HG SER A 26 -1.448 -4.832 -3.269 1.00 0.00 H new ATOM 377 N TYR A 27 -0.504 -9.299 -1.565 1.00 0.00 N ATOM 378 CA TYR A 27 -0.201 -10.717 -1.667 1.00 0.00 C ATOM 379 C TYR A 27 -1.420 -11.565 -1.297 1.00 0.00 C ATOM 380 O TYR A 27 -1.601 -12.640 -1.866 1.00 0.00 O ATOM 381 CB TYR A 27 1.028 -11.069 -0.819 1.00 0.00 C ATOM 382 CG TYR A 27 2.250 -10.177 -1.002 1.00 0.00 C ATOM 383 CD1 TYR A 27 2.482 -9.475 -2.203 1.00 0.00 C ATOM 384 CD2 TYR A 27 3.153 -10.030 0.065 1.00 0.00 C ATOM 385 CE1 TYR A 27 3.523 -8.535 -2.282 1.00 0.00 C ATOM 386 CE2 TYR A 27 4.210 -9.110 -0.024 1.00 0.00 C ATOM 387 CZ TYR A 27 4.364 -8.325 -1.176 1.00 0.00 C ATOM 388 OH TYR A 27 5.320 -7.353 -1.213 1.00 0.00 O ATOM 0 H TYR A 27 0.011 -8.816 -0.829 1.00 0.00 H new ATOM 0 HA TYR A 27 0.043 -10.947 -2.704 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.738 -11.042 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.317 -12.096 -1.044 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.858 -9.661 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.033 -10.627 0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.677 -7.974 -3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.905 -9.007 0.796 1.00 0.00 H new ATOM 0 HH TYR A 27 4.927 -6.521 -1.550 1.00 0.00 H new ATOM 398 N TYR A 28 -2.276 -11.064 -0.394 1.00 0.00 N ATOM 399 CA TYR A 28 -3.586 -11.643 -0.110 1.00 0.00 C ATOM 400 C TYR A 28 -4.701 -10.742 -0.659 1.00 0.00 C ATOM 401 O TYR A 28 -5.756 -10.609 -0.042 1.00 0.00 O ATOM 402 CB TYR A 28 -3.716 -11.955 1.389 1.00 0.00 C ATOM 403 CG TYR A 28 -3.452 -10.802 2.340 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.148 -10.574 2.818 1.00 0.00 C ATOM 405 CD2 TYR A 28 -4.523 -10.065 2.875 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.915 -9.599 3.801 1.00 0.00 C ATOM 407 CE2 TYR A 28 -4.286 -9.070 3.839 1.00 0.00 C ATOM 408 CZ TYR A 28 -2.983 -8.837 4.303 1.00 0.00 C ATOM 409 OH TYR A 28 -2.754 -7.865 5.233 1.00 0.00 O ATOM 0 H TYR A 28 -2.070 -10.235 0.163 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.691 -12.597 -0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.723 -12.328 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.026 -12.764 1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.323 -11.151 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.532 -10.264 2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.914 -9.435 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.108 -8.484 4.223 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.788 -6.985 4.802 1.00 0.00 H new ATOM 419 N GLN A 29 -4.456 -10.161 -1.845 1.00 0.00 N ATOM 420 CA GLN A 29 -5.359 -9.339 -2.647 1.00 0.00 C ATOM 421 C GLN A 29 -6.362 -8.510 -1.842 1.00 0.00 C ATOM 422 O GLN A 29 -7.568 -8.553 -2.086 1.00 0.00 O ATOM 423 CB GLN A 29 -6.000 -10.172 -3.762 1.00 0.00 C ATOM 424 CG GLN A 29 -6.792 -11.386 -3.264 1.00 0.00 C ATOM 425 CD GLN A 29 -7.465 -12.102 -4.430 1.00 0.00 C ATOM 426 OE1 GLN A 29 -8.675 -11.995 -4.615 1.00 0.00 O ATOM 427 NE2 GLN A 29 -6.680 -12.830 -5.228 1.00 0.00 N ATOM 0 H GLN A 29 -3.548 -10.266 -2.298 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.741 -8.574 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.665 -9.532 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.218 -10.516 -4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.125 -12.074 -2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.545 -11.066 -2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.680 -12.893 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.081 -13.323 -6.026 1.00 0.00 H new ATOM 436 N SER A 30 -5.831 -7.716 -0.910 1.00 0.00 N ATOM 437 CA SER A 30 -6.552 -6.660 -0.224 1.00 0.00 C ATOM 438 C SER A 30 -6.275 -5.312 -0.888 1.00 0.00 C ATOM 439 O SER A 30 -7.049 -4.377 -0.702 1.00 0.00 O ATOM 440 CB SER A 30 -6.191 -6.674 1.261 1.00 0.00 C ATOM 441 OG SER A 30 -6.683 -7.862 1.842 1.00 0.00 O ATOM 0 H SER A 30 -4.860 -7.798 -0.609 1.00 0.00 H new ATOM 0 HA SER A 30 -7.626 -6.831 -0.300 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.110 -6.613 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.619 -5.805 1.761 1.00 0.00 H new ATOM 0 HG SER A 30 -5.942 -8.359 2.248 1.00 0.00 H new ATOM 447 N CYS A 31 -5.209 -5.224 -1.696 1.00 0.00 N ATOM 448 CA CYS A 31 -5.046 -4.160 -2.671 1.00 0.00 C ATOM 449 C CYS A 31 -4.239 -4.674 -3.861 1.00 0.00 C ATOM 450 O CYS A 31 -3.086 -4.298 -4.053 1.00 0.00 O ATOM 451 CB CYS A 31 -4.470 -2.887 -2.041 1.00 0.00 C ATOM 452 SG CYS A 31 -2.946 -3.016 -1.060 1.00 0.00 S ATOM 0 H CYS A 31 -4.440 -5.894 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.026 -3.865 -3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.287 -2.173 -2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.240 -2.456 -1.401 1.00 0.00 H new ATOM 457 N CYS A 32 -4.867 -5.532 -4.672 1.00 0.00 N ATOM 458 CA CYS A 32 -4.324 -5.955 -5.954 1.00 0.00 C ATOM 459 C CYS A 32 -5.448 -6.430 -6.873 1.00 0.00 C ATOM 460 O CYS A 32 -5.967 -5.639 -7.658 1.00 0.00 O ATOM 461 CB CYS A 32 -3.226 -7.009 -5.771 1.00 0.00 C ATOM 462 SG CYS A 32 -2.498 -7.590 -7.325 1.00 0.00 S ATOM 0 H CYS A 32 -5.770 -5.951 -4.451 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.850 -5.100 -6.436 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.437 -6.592 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.641 -7.862 -5.234 1.00 0.00 H new ATOM 467 N THR A 33 -5.814 -7.714 -6.789 1.00 0.00 N ATOM 468 CA THR A 33 -6.806 -8.323 -7.662 1.00 0.00 C ATOM 469 C THR A 33 -8.169 -7.665 -7.457 1.00 0.00 C ATOM 470 O THR A 33 -8.905 -7.448 -8.419 1.00 0.00 O ATOM 471 CB THR A 33 -6.874 -9.831 -7.381 1.00 0.00 C ATOM 472 OG1 THR A 33 -5.566 -10.349 -7.248 1.00 0.00 O ATOM 473 CG2 THR A 33 -7.601 -10.579 -8.501 1.00 0.00 C ATOM 0 H THR A 33 -5.422 -8.360 -6.104 1.00 0.00 H new ATOM 0 HA THR A 33 -6.517 -8.172 -8.702 1.00 0.00 H new ATOM 0 HB THR A 33 -7.432 -9.974 -6.456 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.612 -11.311 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.630 -11.643 -8.268 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.619 -10.199 -8.591 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.073 -10.428 -9.442 1.00 0.00 H new ATOM 481 N ASP A 34 -8.492 -7.343 -6.200 1.00 0.00 N ATOM 482 CA ASP A 34 -9.714 -6.665 -5.822 1.00 0.00 C ATOM 483 C ASP A 34 -9.753 -5.251 -6.406 1.00 0.00 C ATOM 484 O ASP A 34 -10.680 -4.926 -7.147 1.00 0.00 O ATOM 485 CB ASP A 34 -9.880 -6.696 -4.293 1.00 0.00 C ATOM 486 CG ASP A 34 -8.786 -5.984 -3.496 1.00 0.00 C ATOM 487 OD1 ASP A 34 -7.616 -6.006 -3.941 1.00 0.00 O ATOM 488 OD2 ASP A 34 -9.145 -5.446 -2.427 1.00 0.00 O ATOM 0 H ASP A 34 -7.889 -7.556 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.570 -7.190 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.840 -6.246 -4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.921 -7.736 -3.971 1.00 0.00 H new ATOM 493 N TYR A 35 -8.755 -4.422 -6.082 1.00 0.00 N ATOM 494 CA TYR A 35 -8.660 -3.027 -6.494 1.00 0.00 C ATOM 495 C TYR A 35 -7.329 -2.454 -6.006 1.00 0.00 C ATOM 496 O TYR A 35 -6.519 -3.179 -5.434 1.00 0.00 O ATOM 497 CB TYR A 35 -9.866 -2.225 -5.967 1.00 0.00 C ATOM 498 CG TYR A 35 -10.241 -2.496 -4.523 1.00 0.00 C ATOM 499 CD1 TYR A 35 -9.442 -2.006 -3.474 1.00 0.00 C ATOM 500 CD2 TYR A 35 -11.422 -3.200 -4.229 1.00 0.00 C ATOM 501 CE1 TYR A 35 -9.839 -2.197 -2.142 1.00 0.00 C ATOM 502 CE2 TYR A 35 -11.824 -3.381 -2.897 1.00 0.00 C ATOM 503 CZ TYR A 35 -11.044 -2.858 -1.854 1.00 0.00 C ATOM 504 OH TYR A 35 -11.467 -2.977 -0.564 1.00 0.00 O ATOM 0 H TYR A 35 -7.967 -4.719 -5.506 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.686 -2.956 -7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -9.651 -1.162 -6.076 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.729 -2.442 -6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.523 -1.483 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.022 -3.603 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.217 -1.835 -1.337 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.732 -3.922 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 35 -12.319 -3.460 -0.542 1.00 0.00 H new ATOM 514 N THR A 36 -7.109 -1.153 -6.232 1.00 0.00 N ATOM 515 CA THR A 36 -5.922 -0.423 -5.818 1.00 0.00 C ATOM 516 C THR A 36 -6.325 0.702 -4.860 1.00 0.00 C ATOM 517 O THR A 36 -6.781 1.762 -5.283 1.00 0.00 O ATOM 518 CB THR A 36 -5.141 0.060 -7.052 1.00 0.00 C ATOM 519 OG1 THR A 36 -4.163 1.007 -6.671 1.00 0.00 O ATOM 520 CG2 THR A 36 -6.012 0.651 -8.167 1.00 0.00 C ATOM 0 H THR A 36 -7.781 -0.566 -6.726 1.00 0.00 H new ATOM 0 HA THR A 36 -5.241 -1.073 -5.269 1.00 0.00 H new ATOM 0 HB THR A 36 -4.678 -0.835 -7.468 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.581 0.619 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.378 0.965 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.718 -0.103 -8.515 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.560 1.512 -7.783 1.00 0.00 H new ATOM 528 N ALA A 37 -6.148 0.450 -3.560 1.00 0.00 N ATOM 529 CA ALA A 37 -6.398 1.396 -2.480 1.00 0.00 C ATOM 530 C ALA A 37 -5.559 0.970 -1.277 1.00 0.00 C ATOM 531 O ALA A 37 -4.851 -0.029 -1.351 1.00 0.00 O ATOM 532 CB ALA A 37 -7.888 1.408 -2.129 1.00 0.00 C ATOM 0 H ALA A 37 -5.814 -0.453 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.121 2.406 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.066 2.118 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.466 1.703 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.195 0.412 -1.811 1.00 0.00 H new ATOM 538 N GLU A 38 -5.632 1.713 -0.169 1.00 0.00 N ATOM 539 CA GLU A 38 -4.866 1.411 1.033 1.00 0.00 C ATOM 540 C GLU A 38 -5.398 0.150 1.717 1.00 0.00 C ATOM 541 O GLU A 38 -6.202 0.251 2.641 1.00 0.00 O ATOM 542 CB GLU A 38 -4.915 2.609 1.984 1.00 0.00 C ATOM 543 CG GLU A 38 -4.121 3.781 1.411 1.00 0.00 C ATOM 544 CD GLU A 38 -4.245 5.015 2.290 1.00 0.00 C ATOM 545 OE1 GLU A 38 -4.077 4.868 3.520 1.00 0.00 O ATOM 546 OE2 GLU A 38 -4.482 6.095 1.710 1.00 0.00 O ATOM 0 H GLU A 38 -6.225 2.539 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.829 1.221 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.950 2.909 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.508 2.327 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.071 3.502 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.479 4.009 0.407 1.00 0.00 H new ATOM 553 N CYS A 39 -4.956 -1.029 1.255 1.00 0.00 N ATOM 554 CA CYS A 39 -5.526 -2.323 1.621 1.00 0.00 C ATOM 555 C CYS A 39 -7.040 -2.261 1.404 1.00 0.00 C ATOM 556 O CYS A 39 -7.494 -1.572 0.491 1.00 0.00 O ATOM 557 CB CYS A 39 -5.124 -2.711 3.053 1.00 0.00 C ATOM 558 SG CYS A 39 -3.341 -2.751 3.368 1.00 0.00 S ATOM 0 H CYS A 39 -4.175 -1.105 0.603 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.129 -3.116 0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.584 -2.006 3.746 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.539 -3.694 3.276 1.00 0.00 H new ATOM 563 N LYS A 40 -7.832 -2.912 2.264 1.00 0.00 N ATOM 564 CA LYS A 40 -9.231 -2.552 2.403 1.00 0.00 C ATOM 565 C LYS A 40 -9.245 -1.164 3.051 1.00 0.00 C ATOM 566 O LYS A 40 -8.570 -0.980 4.064 1.00 0.00 O ATOM 567 CB LYS A 40 -9.969 -3.583 3.269 1.00 0.00 C ATOM 568 CG LYS A 40 -9.807 -5.036 2.796 1.00 0.00 C ATOM 569 CD LYS A 40 -10.239 -5.241 1.339 1.00 0.00 C ATOM 570 CE LYS A 40 -10.225 -6.727 0.973 1.00 0.00 C ATOM 571 NZ LYS A 40 -10.447 -6.928 -0.471 1.00 0.00 N ATOM 0 H LYS A 40 -7.526 -3.679 2.863 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.743 -2.537 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.608 -3.504 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.030 -3.334 3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.764 -5.334 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.395 -5.690 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.239 -4.835 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.570 -4.692 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.269 -7.165 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.997 -7.250 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.200 -7.905 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.447 -6.753 -0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.851 -6.267 -1.009 1.00 0.00 H new ATOM 585 N PRO A 41 -9.931 -0.167 2.468 1.00 0.00 N ATOM 586 CA PRO A 41 -9.775 1.224 2.851 1.00 0.00 C ATOM 587 C PRO A 41 -10.235 1.440 4.291 1.00 0.00 C ATOM 588 O PRO A 41 -11.285 0.944 4.694 1.00 0.00 O ATOM 589 CB PRO A 41 -10.602 2.030 1.846 1.00 0.00 C ATOM 590 CG PRO A 41 -11.649 1.028 1.364 1.00 0.00 C ATOM 591 CD PRO A 41 -10.874 -0.289 1.372 1.00 0.00 C ATOM 0 HA PRO A 41 -8.733 1.543 2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.064 2.900 2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.988 2.397 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.514 0.994 2.027 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.019 1.275 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.541 -1.138 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.359 -0.449 0.425 1.00 0.00 H new ATOM 599 N GLN A 42 -9.422 2.169 5.062 1.00 0.00 N ATOM 600 CA GLN A 42 -9.639 2.401 6.480 1.00 0.00 C ATOM 601 C GLN A 42 -10.869 3.284 6.641 1.00 0.00 C ATOM 602 O GLN A 42 -11.792 2.951 7.381 1.00 0.00 O ATOM 603 CB GLN A 42 -8.415 3.087 7.108 1.00 0.00 C ATOM 604 CG GLN A 42 -7.143 2.228 7.109 1.00 0.00 C ATOM 605 CD GLN A 42 -6.565 1.997 5.712 1.00 0.00 C ATOM 606 OE1 GLN A 42 -6.617 2.882 4.860 1.00 0.00 O ATOM 607 NE2 GLN A 42 -6.047 0.795 5.462 1.00 0.00 N ATOM 0 H GLN A 42 -8.580 2.620 4.704 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.790 1.448 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.214 4.012 6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.654 3.363 8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.389 2.710 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.365 1.264 7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.022 0.088 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.675 0.582 4.536 1.00 0.00 H new ATOM 616 N VAL A 43 -10.861 4.406 5.918 1.00 0.00 N ATOM 617 CA VAL A 43 -11.971 5.327 5.795 1.00 0.00 C ATOM 618 C VAL A 43 -12.071 5.665 4.310 1.00 0.00 C ATOM 619 O VAL A 43 -11.053 5.943 3.676 1.00 0.00 O ATOM 620 CB VAL A 43 -11.724 6.581 6.651 1.00 0.00 C ATOM 621 CG1 VAL A 43 -12.998 7.432 6.715 1.00 0.00 C ATOM 622 CG2 VAL A 43 -11.290 6.233 8.081 1.00 0.00 C ATOM 0 H VAL A 43 -10.043 4.701 5.384 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.904 4.893 6.154 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.916 7.136 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.814 8.318 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.283 7.736 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -13.804 6.848 7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.128 7.151 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.069 5.643 8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.365 5.658 8.051 1.00 0.00 H new ATOM 632 N THR A 44 -13.284 5.614 3.751 1.00 0.00 N ATOM 633 CA THR A 44 -13.534 5.884 2.345 1.00 0.00 C ATOM 634 C THR A 44 -13.575 7.398 2.127 1.00 0.00 C ATOM 635 O THR A 44 -14.647 7.976 1.951 1.00 0.00 O ATOM 636 CB THR A 44 -14.840 5.196 1.926 1.00 0.00 C ATOM 637 OG1 THR A 44 -15.884 5.575 2.798 1.00 0.00 O ATOM 638 CG2 THR A 44 -14.690 3.671 1.955 1.00 0.00 C ATOM 0 H THR A 44 -14.127 5.380 4.276 1.00 0.00 H new ATOM 0 HA THR A 44 -12.736 5.482 1.721 1.00 0.00 H new ATOM 0 HB THR A 44 -15.075 5.507 0.908 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.976 6.551 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.629 3.207 1.654 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.900 3.370 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.434 3.350 2.965 1.00 0.00 H new ATOM 646 N ARG A 45 -12.398 8.031 2.155 1.00 0.00 N ATOM 647 CA ARG A 45 -12.238 9.467 1.997 1.00 0.00 C ATOM 648 C ARG A 45 -11.896 9.800 0.551 1.00 0.00 C ATOM 649 O ARG A 45 -12.631 10.529 -0.111 1.00 0.00 O ATOM 650 CB ARG A 45 -11.114 9.974 2.905 1.00 0.00 C ATOM 651 CG ARG A 45 -11.472 9.890 4.389 1.00 0.00 C ATOM 652 CD ARG A 45 -10.373 10.536 5.240 1.00 0.00 C ATOM 653 NE ARG A 45 -10.220 11.969 4.949 1.00 0.00 N ATOM 654 CZ ARG A 45 -11.034 12.941 5.391 1.00 0.00 C ATOM 655 NH1 ARG A 45 -12.070 12.659 6.195 1.00 0.00 N ATOM 656 NH2 ARG A 45 -10.810 14.208 5.023 1.00 0.00 N ATOM 0 H ARG A 45 -11.514 7.541 2.292 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.175 9.951 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.212 9.391 2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.884 11.008 2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.423 10.392 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.601 8.848 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.608 10.404 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.427 10.026 5.058 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.432 12.247 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.248 11.696 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.680 13.408 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.025 14.430 4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.424 14.952 5.355 1.00 0.00 H new ATOM 670 N GLY A 46 -10.735 9.313 0.101 1.00 0.00 N ATOM 671 CA GLY A 46 -10.042 9.811 -1.071 1.00 0.00 C ATOM 672 C GLY A 46 -8.716 10.391 -0.596 1.00 0.00 C ATOM 673 O GLY A 46 -7.657 9.862 -0.924 1.00 0.00 O ATOM 0 H GLY A 46 -10.247 8.543 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.876 9.009 -1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.637 10.573 -1.575 1.00 0.00 H new ATOM 677 N ASP A 47 -8.782 11.463 0.201 1.00 0.00 N ATOM 678 CA ASP A 47 -7.623 12.099 0.807 1.00 0.00 C ATOM 679 C ASP A 47 -7.231 11.370 2.092 1.00 0.00 C ATOM 680 O ASP A 47 -8.098 10.861 2.799 1.00 0.00 O ATOM 681 CB ASP A 47 -7.940 13.569 1.102 1.00 0.00 C ATOM 682 CG ASP A 47 -9.006 13.709 2.185 1.00 0.00 C ATOM 683 OD1 ASP A 47 -10.191 13.495 1.854 1.00 0.00 O ATOM 684 OD2 ASP A 47 -8.617 14.003 3.336 1.00 0.00 O ATOM 0 H ASP A 47 -9.663 11.916 0.443 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.783 12.048 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.031 14.081 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.281 14.058 0.190 1.00 0.00 H new ATOM 689 N VAL A 48 -5.925 11.343 2.387 1.00 0.00 N ATOM 690 CA VAL A 48 -5.327 10.737 3.574 1.00 0.00 C ATOM 691 C VAL A 48 -5.446 9.213 3.508 1.00 0.00 C ATOM 692 O VAL A 48 -4.462 8.540 3.209 1.00 0.00 O ATOM 693 CB VAL A 48 -5.873 11.344 4.884 1.00 0.00 C ATOM 694 CG1 VAL A 48 -5.191 10.708 6.102 1.00 0.00 C ATOM 695 CG2 VAL A 48 -5.619 12.857 4.920 1.00 0.00 C ATOM 0 H VAL A 48 -5.228 11.764 1.773 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.263 10.975 3.583 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.944 11.146 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.590 11.150 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.380 9.635 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.117 10.887 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.010 13.270 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.547 13.048 4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.119 13.330 4.075 1.00 0.00 H new ATOM 705 N PHE A 49 -6.647 8.688 3.775 1.00 0.00 N ATOM 706 CA PHE A 49 -6.990 7.288 3.584 1.00 0.00 C ATOM 707 C PHE A 49 -7.539 7.088 2.176 1.00 0.00 C ATOM 708 O PHE A 49 -7.788 8.059 1.461 1.00 0.00 O ATOM 709 CB PHE A 49 -8.003 6.852 4.647 1.00 0.00 C ATOM 710 CG PHE A 49 -7.470 6.920 6.063 1.00 0.00 C ATOM 711 CD1 PHE A 49 -6.383 6.111 6.440 1.00 0.00 C ATOM 712 CD2 PHE A 49 -8.055 7.784 7.006 1.00 0.00 C ATOM 713 CE1 PHE A 49 -5.892 6.157 7.755 1.00 0.00 C ATOM 714 CE2 PHE A 49 -7.565 7.829 8.321 1.00 0.00 C ATOM 715 CZ PHE A 49 -6.483 7.014 8.695 1.00 0.00 C ATOM 0 H PHE A 49 -7.421 9.244 4.138 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.100 6.668 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.889 7.482 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.320 5.830 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.925 5.453 5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.883 8.414 6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.059 5.532 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.019 8.490 9.045 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.106 7.048 9.707 1.00 0.00 H new ATOM 725 N THR A 50 -7.705 5.819 1.780 1.00 0.00 N ATOM 726 CA THR A 50 -8.099 5.383 0.445 1.00 0.00 C ATOM 727 C THR A 50 -6.908 5.494 -0.508 1.00 0.00 C ATOM 728 O THR A 50 -6.500 4.497 -1.100 1.00 0.00 O ATOM 729 CB THR A 50 -9.339 6.133 -0.077 1.00 0.00 C ATOM 730 OG1 THR A 50 -10.266 6.372 0.962 1.00 0.00 O ATOM 731 CG2 THR A 50 -10.027 5.329 -1.183 1.00 0.00 C ATOM 0 H THR A 50 -7.560 5.035 2.417 1.00 0.00 H new ATOM 0 HA THR A 50 -8.396 4.336 0.502 1.00 0.00 H new ATOM 0 HB THR A 50 -8.998 7.089 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.435 5.538 1.448 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.901 5.874 -1.539 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.332 5.178 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.339 4.362 -0.789 1.00 0.00 H new ATOM 739 N MET A 51 -6.345 6.703 -0.626 1.00 0.00 N ATOM 740 CA MET A 51 -5.060 6.959 -1.252 1.00 0.00 C ATOM 741 C MET A 51 -4.341 8.100 -0.529 1.00 0.00 C ATOM 742 O MET A 51 -3.134 8.005 -0.325 1.00 0.00 O ATOM 743 CB MET A 51 -5.210 7.196 -2.760 1.00 0.00 C ATOM 744 CG MET A 51 -6.130 8.355 -3.146 1.00 0.00 C ATOM 745 SD MET A 51 -6.278 8.619 -4.934 1.00 0.00 S ATOM 746 CE MET A 51 -7.449 7.301 -5.353 1.00 0.00 C ATOM 0 H MET A 51 -6.792 7.550 -0.275 1.00 0.00 H new ATOM 0 HA MET A 51 -4.432 6.073 -1.155 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.222 7.380 -3.183 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.589 6.283 -3.220 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.122 8.170 -2.734 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.758 9.269 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.651 7.321 -6.424 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.022 6.335 -5.082 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.379 7.453 -4.805 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -5.101 9.157 -0.120 1.00 0.00 O