USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 587 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 16 THR OG1 : rot 168:sc= 0.364 USER MOD Set 1.2: A 18 THR OG1 : rot -31:sc= 1.35 USER MOD Set 1.3: A 20 THR OG1 : rot 86:sc= 1.21 USER MOD Set 1.4: A 67 ASN : amide:sc= -0.54 K(o=2.4,f=-8.4!) USER MOD Set 2.1: A 37 THR OG1 : rot -50:sc= 0.937 USER MOD Set 2.2: A 40 THR OG1 : rot 84:sc= 2.5 USER MOD Set 2.3: A 41 ASN : amide:sc= -0.976! C(o=2.5!,f=-0.75!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.434 K(o=-3.6,f=-14!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -3.16 K(o=-3.6,f=-9.1!) USER MOD Set 4.1: A 2 MET CE :methyl -130:sc= 0 (180deg=-1.08) USER MOD Set 4.2: A 79 GLN : amide:sc= -0.828 K(o=-0.83,f=-14!) USER MOD Single : A 1 CYS N :NH3+ -149:sc= 1.09 (180deg=0.0783) USER MOD Single : A 5 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -146:sc= -0.421 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.27 K(o=-1.3,f=-8.9!) USER MOD Single : A 31 HIS : no HD1:sc= -4.43! K(o=-4.4!,f=-5.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.23) USER MOD Single : A 49 ASN : amide:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.107 K(o=0.11,f=-11!) USER MOD Single : A 64 TYR OH : rot 100:sc= -0.443 USER MOD Single : A 65 THR OG1 : rot -90:sc= -0.767! USER MOD Single : A 66 THR OG1 : rot -67:sc= -0.0363 USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= 0.175 (180deg=-0.343) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -148:sc= 0.295 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.743 30.316 3.003 1.00 0.00 N ATOM 51 CA CYS A 1 5.813 30.647 3.917 1.00 0.00 C ATOM 52 C CYS A 1 5.345 30.408 5.346 1.00 0.00 C ATOM 53 O CYS A 1 4.154 30.511 5.643 1.00 0.00 O ATOM 54 CB CYS A 1 6.253 32.103 3.715 1.00 0.00 C ATOM 55 SG CYS A 1 4.927 33.202 3.096 1.00 0.00 S ATOM 0 H1 CYS A 1 5.145 29.968 2.109 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.143 29.578 3.424 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.170 31.164 2.818 1.00 0.00 H new ATOM 0 HA CYS A 1 6.675 30.009 3.719 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.623 32.495 4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.087 32.126 3.013 1.00 0.00 H new ATOM 60 N MET A 2 6.274 30.073 6.223 1.00 0.00 N ATOM 61 CA MET A 2 5.924 29.769 7.616 1.00 0.00 C ATOM 62 C MET A 2 6.117 30.957 8.536 1.00 0.00 C ATOM 63 O MET A 2 6.944 31.817 8.296 1.00 0.00 O ATOM 64 CB MET A 2 6.755 28.610 8.159 1.00 0.00 C ATOM 65 CG MET A 2 8.253 28.810 7.969 1.00 0.00 C ATOM 66 SD MET A 2 9.245 27.742 9.026 1.00 0.00 S ATOM 67 CE MET A 2 10.902 28.270 8.594 1.00 0.00 C ATOM 0 H MET A 2 7.269 30.002 6.008 1.00 0.00 H new ATOM 0 HA MET A 2 4.868 29.500 7.599 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.543 28.484 9.221 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.451 27.689 7.662 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.510 28.620 6.927 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.504 29.850 8.175 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.513 27.398 8.362 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.860 28.925 7.724 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.342 28.809 9.433 1.00 0.00 H new ATOM 77 N PHE A 3 5.351 30.976 9.608 1.00 0.00 N ATOM 78 CA PHE A 3 5.432 32.023 10.594 1.00 0.00 C ATOM 79 C PHE A 3 6.043 31.433 11.847 1.00 0.00 C ATOM 80 O PHE A 3 5.363 30.741 12.604 1.00 0.00 O ATOM 81 CB PHE A 3 4.039 32.587 10.896 1.00 0.00 C ATOM 82 CG PHE A 3 3.370 33.250 9.719 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.747 32.493 8.742 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.364 34.630 9.594 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.131 33.096 7.663 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.750 35.241 8.517 1.00 0.00 C ATOM 87 CZ PHE A 3 2.132 34.473 7.550 1.00 0.00 C ATOM 0 H PHE A 3 4.654 30.261 9.816 1.00 0.00 H new ATOM 0 HA PHE A 3 6.047 32.843 10.222 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.402 31.778 11.253 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.121 33.310 11.707 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.743 31.416 8.825 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.845 35.236 10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.649 32.492 6.908 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.754 36.318 8.432 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.651 34.947 6.708 1.00 0.00 H new ATOM 97 N GLY A 4 7.329 31.651 12.037 1.00 0.00 N ATOM 98 CA GLY A 4 8.004 31.024 13.122 1.00 0.00 C ATOM 99 C GLY A 4 8.180 29.559 12.854 1.00 0.00 C ATOM 100 O GLY A 4 8.895 29.173 11.921 1.00 0.00 O ATOM 0 H GLY A 4 7.910 32.253 11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.977 31.492 13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.437 31.166 14.042 1.00 0.00 H new ATOM 104 N ASN A 5 7.422 28.774 13.606 1.00 0.00 N ATOM 105 CA ASN A 5 7.490 27.323 13.579 1.00 0.00 C ATOM 106 C ASN A 5 6.762 26.778 12.368 1.00 0.00 C ATOM 107 O ASN A 5 7.102 25.726 11.851 1.00 0.00 O ATOM 108 CB ASN A 5 6.828 26.752 14.836 1.00 0.00 C ATOM 109 CG ASN A 5 7.538 27.142 16.117 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.734 27.430 16.128 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.800 27.136 17.212 1.00 0.00 N ATOM 0 H ASN A 5 6.731 29.136 14.263 1.00 0.00 H new ATOM 0 HA ASN A 5 8.540 27.032 13.535 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.795 27.096 14.882 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.799 25.665 14.761 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.219 27.376 18.111 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.811 26.891 17.159 1.00 0.00 H new ATOM 118 N GLY A 6 5.736 27.488 11.931 1.00 0.00 N ATOM 119 CA GLY A 6 4.962 27.022 10.806 1.00 0.00 C ATOM 120 C GLY A 6 3.575 26.627 11.235 1.00 0.00 C ATOM 121 O GLY A 6 2.891 25.854 10.568 1.00 0.00 O ATOM 0 H GLY A 6 5.428 28.373 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.904 27.805 10.050 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.461 26.170 10.344 1.00 0.00 H new ATOM 125 N LYS A 7 3.168 27.176 12.359 1.00 0.00 N ATOM 126 CA LYS A 7 1.857 26.917 12.917 1.00 0.00 C ATOM 127 C LYS A 7 0.792 27.601 12.070 1.00 0.00 C ATOM 128 O LYS A 7 -0.269 27.037 11.809 1.00 0.00 O ATOM 129 CB LYS A 7 1.825 27.430 14.348 1.00 0.00 C ATOM 130 CG LYS A 7 2.858 26.774 15.236 1.00 0.00 C ATOM 131 CD LYS A 7 2.769 27.291 16.656 1.00 0.00 C ATOM 132 CE LYS A 7 2.995 28.792 16.733 1.00 0.00 C ATOM 133 NZ LYS A 7 2.816 29.297 18.117 1.00 0.00 N ATOM 0 H LYS A 7 3.737 27.816 12.913 1.00 0.00 H new ATOM 0 HA LYS A 7 1.652 25.846 12.917 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.989 28.508 14.345 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.833 27.259 14.767 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.713 25.694 15.230 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.855 26.964 14.839 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.789 27.051 17.068 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.508 26.781 17.274 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.001 29.028 16.385 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.299 29.301 16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.977 30.324 18.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.848 29.093 18.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.497 28.829 18.748 1.00 0.00 H new ATOM 147 N GLY A 8 1.099 28.822 11.646 1.00 0.00 N ATOM 148 CA GLY A 8 0.270 29.526 10.698 1.00 0.00 C ATOM 149 C GLY A 8 0.831 29.434 9.294 1.00 0.00 C ATOM 150 O GLY A 8 0.479 30.223 8.422 1.00 0.00 O ATOM 0 H GLY A 8 1.923 29.340 11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.738 29.111 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.189 30.573 10.991 1.00 0.00 H new ATOM 154 N TYR A 9 1.730 28.477 9.083 1.00 0.00 N ATOM 155 CA TYR A 9 2.247 28.179 7.756 1.00 0.00 C ATOM 156 C TYR A 9 1.113 27.710 6.849 1.00 0.00 C ATOM 157 O TYR A 9 0.639 26.584 6.971 1.00 0.00 O ATOM 158 CB TYR A 9 3.324 27.095 7.859 1.00 0.00 C ATOM 159 CG TYR A 9 3.779 26.537 6.535 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.822 27.328 5.399 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.130 25.204 6.418 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.204 26.807 4.186 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.508 24.673 5.205 1.00 0.00 C ATOM 164 CZ TYR A 9 4.541 25.479 4.090 1.00 0.00 C ATOM 165 OH TYR A 9 4.890 24.957 2.871 1.00 0.00 O ATOM 0 H TYR A 9 2.117 27.891 9.823 1.00 0.00 H new ATOM 0 HA TYR A 9 2.686 29.080 7.328 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.188 27.507 8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.942 26.278 8.471 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.551 28.371 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.107 24.570 7.292 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.239 27.440 3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.777 23.630 5.129 1.00 0.00 H new ATOM 0 HH TYR A 9 4.585 24.028 2.814 1.00 0.00 H new ATOM 175 N ARG A 10 0.667 28.584 5.962 1.00 0.00 N ATOM 176 CA ARG A 10 -0.449 28.283 5.069 1.00 0.00 C ATOM 177 C ARG A 10 0.045 28.052 3.637 1.00 0.00 C ATOM 178 O ARG A 10 -0.630 28.407 2.672 1.00 0.00 O ATOM 179 CB ARG A 10 -1.466 29.436 5.100 1.00 0.00 C ATOM 180 CG ARG A 10 -2.653 29.239 6.046 1.00 0.00 C ATOM 181 CD ARG A 10 -2.258 29.160 7.518 1.00 0.00 C ATOM 182 NE ARG A 10 -1.671 27.874 7.875 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.869 27.257 9.036 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.779 27.698 9.900 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.166 26.175 9.320 1.00 0.00 N ATOM 0 H ARG A 10 1.062 29.516 5.838 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.932 27.368 5.413 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.945 30.350 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.849 29.588 4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.354 30.062 5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.178 28.324 5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.546 29.954 7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.138 29.337 8.136 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.069 27.418 7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.338 28.521 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.918 27.213 10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.481 25.822 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.309 25.693 10.207 1.00 0.00 H new ATOM 199 N GLY A 11 1.215 27.432 3.515 1.00 0.00 N ATOM 200 CA GLY A 11 1.859 27.285 2.217 1.00 0.00 C ATOM 201 C GLY A 11 1.546 25.969 1.533 1.00 0.00 C ATOM 202 O GLY A 11 0.587 25.283 1.900 1.00 0.00 O ATOM 0 H GLY A 11 1.733 27.026 4.295 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.547 28.105 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.938 27.372 2.344 1.00 0.00 H new ATOM 206 N LYS A 12 2.368 25.599 0.550 1.00 0.00 N ATOM 207 CA LYS A 12 2.061 24.481 -0.323 1.00 0.00 C ATOM 208 C LYS A 12 3.312 23.679 -0.637 1.00 0.00 C ATOM 209 O LYS A 12 3.342 22.915 -1.608 1.00 0.00 O ATOM 210 CB LYS A 12 1.463 25.022 -1.618 1.00 0.00 C ATOM 211 CG LYS A 12 2.443 25.873 -2.407 1.00 0.00 C ATOM 212 CD LYS A 12 1.732 26.708 -3.442 1.00 0.00 C ATOM 213 CE LYS A 12 0.973 25.841 -4.437 1.00 0.00 C ATOM 214 NZ LYS A 12 0.319 26.650 -5.497 1.00 0.00 N ATOM 0 H LYS A 12 3.252 26.063 0.344 1.00 0.00 H new ATOM 0 HA LYS A 12 1.351 23.822 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.133 24.188 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.579 25.615 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.993 26.523 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.175 25.230 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.038 27.388 -2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.457 27.324 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.660 25.130 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.218 25.259 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.186 26.020 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.356 27.311 -5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.041 27.186 -6.019 1.00 0.00 H new ATOM 228 N ARG A 13 4.348 23.858 0.169 1.00 0.00 N ATOM 229 CA ARG A 13 5.552 23.073 0.006 1.00 0.00 C ATOM 230 C ARG A 13 5.209 21.628 0.320 1.00 0.00 C ATOM 231 O ARG A 13 4.471 21.361 1.258 1.00 0.00 O ATOM 232 CB ARG A 13 6.659 23.579 0.924 1.00 0.00 C ATOM 233 CG ARG A 13 7.031 25.039 0.708 1.00 0.00 C ATOM 234 CD ARG A 13 7.869 25.236 -0.543 1.00 0.00 C ATOM 235 NE ARG A 13 8.029 26.652 -0.858 1.00 0.00 N ATOM 236 CZ ARG A 13 9.126 27.199 -1.373 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.232 26.488 -1.541 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.120 28.481 -1.696 1.00 0.00 N ATOM 0 H ARG A 13 4.376 24.533 0.933 1.00 0.00 H new ATOM 0 HA ARG A 13 5.920 23.159 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.346 23.445 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.547 22.964 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.123 25.637 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.582 25.404 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.849 24.780 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.398 24.726 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 13 7.239 27.269 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.251 25.504 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.064 26.925 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.279 29.040 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.956 28.911 -2.092 1.00 0.00 H new ATOM 252 N VAL A 14 5.721 20.709 -0.467 1.00 0.00 N ATOM 253 CA VAL A 14 5.289 19.318 -0.393 1.00 0.00 C ATOM 254 C VAL A 14 6.475 18.373 -0.491 1.00 0.00 C ATOM 255 O VAL A 14 6.422 17.330 -1.150 1.00 0.00 O ATOM 256 CB VAL A 14 4.265 18.999 -1.502 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.891 19.520 -1.119 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.695 19.612 -2.824 1.00 0.00 C ATOM 0 H VAL A 14 6.438 20.893 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 14 4.810 19.173 0.575 1.00 0.00 H new ATOM 0 HB VAL A 14 4.217 17.916 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.180 19.287 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.568 19.047 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.937 20.600 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.959 19.375 -3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.771 20.694 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.665 19.208 -3.114 1.00 0.00 H new ATOM 268 N THR A 15 7.537 18.757 0.182 1.00 0.00 N ATOM 269 CA THR A 15 8.776 18.028 0.184 1.00 0.00 C ATOM 270 C THR A 15 9.485 18.274 1.497 1.00 0.00 C ATOM 271 O THR A 15 9.356 19.348 2.084 1.00 0.00 O ATOM 272 CB THR A 15 9.691 18.500 -0.950 1.00 0.00 C ATOM 273 OG1 THR A 15 9.377 19.854 -1.314 1.00 0.00 O ATOM 274 CG2 THR A 15 9.588 17.592 -2.153 1.00 0.00 C ATOM 0 H THR A 15 7.559 19.602 0.753 1.00 0.00 H new ATOM 0 HA THR A 15 8.555 16.969 0.047 1.00 0.00 H new ATOM 0 HB THR A 15 10.719 18.461 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.970 20.144 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.249 17.954 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.879 16.580 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.561 17.585 -2.517 1.00 0.00 H new ATOM 282 N THR A 16 10.232 17.298 1.953 1.00 0.00 N ATOM 283 CA THR A 16 10.999 17.444 3.164 1.00 0.00 C ATOM 284 C THR A 16 12.230 18.304 2.918 1.00 0.00 C ATOM 285 O THR A 16 12.408 18.843 1.823 1.00 0.00 O ATOM 286 CB THR A 16 11.430 16.074 3.681 1.00 0.00 C ATOM 287 OG1 THR A 16 12.131 15.385 2.641 1.00 0.00 O ATOM 288 CG2 THR A 16 10.223 15.263 4.106 1.00 0.00 C ATOM 0 H THR A 16 10.325 16.389 1.500 1.00 0.00 H new ATOM 0 HA THR A 16 10.371 17.931 3.910 1.00 0.00 H new ATOM 0 HB THR A 16 12.080 16.205 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.576 14.596 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.549 14.289 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.692 15.789 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.558 15.126 3.253 1.00 0.00 H new ATOM 296 N VAL A 17 13.091 18.417 3.915 1.00 0.00 N ATOM 297 CA VAL A 17 14.328 19.164 3.767 1.00 0.00 C ATOM 298 C VAL A 17 15.239 18.517 2.737 1.00 0.00 C ATOM 299 O VAL A 17 16.153 19.146 2.202 1.00 0.00 O ATOM 300 CB VAL A 17 15.098 19.291 5.085 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.439 20.310 6.000 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.210 17.943 5.775 1.00 0.00 C ATOM 0 H VAL A 17 12.956 18.001 4.836 1.00 0.00 H new ATOM 0 HA VAL A 17 14.037 20.161 3.436 1.00 0.00 H new ATOM 0 HB VAL A 17 16.105 19.641 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.003 20.383 6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.422 21.283 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.418 19.996 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.761 18.057 6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.212 17.559 5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.738 17.245 5.126 1.00 0.00 H new ATOM 312 N THR A 18 14.957 17.262 2.453 1.00 0.00 N ATOM 313 CA THR A 18 15.749 16.478 1.531 1.00 0.00 C ATOM 314 C THR A 18 15.153 16.573 0.143 1.00 0.00 C ATOM 315 O THR A 18 15.792 16.236 -0.855 1.00 0.00 O ATOM 316 CB THR A 18 15.744 15.005 1.959 1.00 0.00 C ATOM 317 OG1 THR A 18 14.413 14.486 1.823 1.00 0.00 O ATOM 318 CG2 THR A 18 16.184 14.871 3.406 1.00 0.00 C ATOM 0 H THR A 18 14.169 16.756 2.857 1.00 0.00 H new ATOM 0 HA THR A 18 16.769 16.862 1.532 1.00 0.00 H new ATOM 0 HB THR A 18 16.436 14.448 1.327 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.764 15.204 1.978 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.175 13.820 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.193 15.269 3.518 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.501 15.428 4.047 1.00 0.00 H new ATOM 326 N GLY A 19 13.921 17.059 0.089 1.00 0.00 N ATOM 327 CA GLY A 19 13.192 17.050 -1.143 1.00 0.00 C ATOM 328 C GLY A 19 12.381 15.784 -1.297 1.00 0.00 C ATOM 329 O GLY A 19 11.873 15.504 -2.381 1.00 0.00 O ATOM 0 H GLY A 19 13.421 17.458 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.530 17.915 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.886 17.143 -1.978 1.00 0.00 H new ATOM 333 N THR A 20 12.269 14.998 -0.228 1.00 0.00 N ATOM 334 CA THR A 20 11.412 13.831 -0.264 1.00 0.00 C ATOM 335 C THR A 20 9.953 14.255 -0.137 1.00 0.00 C ATOM 336 O THR A 20 9.582 14.919 0.827 1.00 0.00 O ATOM 337 CB THR A 20 11.763 12.837 0.854 1.00 0.00 C ATOM 338 OG1 THR A 20 13.114 12.381 0.694 1.00 0.00 O ATOM 339 CG2 THR A 20 10.816 11.648 0.832 1.00 0.00 C ATOM 0 H THR A 20 12.755 15.150 0.656 1.00 0.00 H new ATOM 0 HA THR A 20 11.568 13.331 -1.220 1.00 0.00 H new ATOM 0 HB THR A 20 11.662 13.346 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.725 13.010 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.082 10.956 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.793 11.995 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.893 11.139 -0.129 1.00 0.00 H new ATOM 347 N PRO A 21 9.123 13.908 -1.130 1.00 0.00 N ATOM 348 CA PRO A 21 7.692 14.218 -1.124 1.00 0.00 C ATOM 349 C PRO A 21 7.002 13.881 0.189 1.00 0.00 C ATOM 350 O PRO A 21 7.074 12.748 0.675 1.00 0.00 O ATOM 351 CB PRO A 21 7.149 13.313 -2.210 1.00 0.00 C ATOM 352 CG PRO A 21 8.261 13.193 -3.183 1.00 0.00 C ATOM 353 CD PRO A 21 9.520 13.193 -2.359 1.00 0.00 C ATOM 0 HA PRO A 21 7.521 15.284 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.865 12.340 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.260 13.739 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.174 12.276 -3.767 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.255 14.023 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.859 12.180 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.337 13.700 -2.873 1.00 0.00 H new ATOM 361 N CYS A 22 6.354 14.874 0.762 1.00 0.00 N ATOM 362 CA CYS A 22 5.505 14.650 1.922 1.00 0.00 C ATOM 363 C CYS A 22 4.302 13.791 1.557 1.00 0.00 C ATOM 364 O CYS A 22 3.735 13.911 0.469 1.00 0.00 O ATOM 365 CB CYS A 22 5.035 15.980 2.501 1.00 0.00 C ATOM 366 SG CYS A 22 6.398 17.058 3.019 1.00 0.00 S ATOM 0 H CYS A 22 6.396 15.843 0.447 1.00 0.00 H new ATOM 0 HA CYS A 22 6.093 14.122 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.433 16.500 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.388 15.787 3.357 1.00 0.00 H new ATOM 371 N GLN A 23 3.953 12.905 2.473 1.00 0.00 N ATOM 372 CA GLN A 23 2.766 12.077 2.368 1.00 0.00 C ATOM 373 C GLN A 23 1.544 12.924 2.600 1.00 0.00 C ATOM 374 O GLN A 23 1.638 14.033 3.126 1.00 0.00 O ATOM 375 CB GLN A 23 2.792 11.008 3.450 1.00 0.00 C ATOM 376 CG GLN A 23 1.765 9.896 3.295 1.00 0.00 C ATOM 377 CD GLN A 23 1.916 8.875 4.393 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.682 7.938 4.253 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.148 9.007 5.466 1.00 0.00 N ATOM 0 H GLN A 23 4.494 12.739 3.322 1.00 0.00 H new ATOM 0 HA GLN A 23 2.742 11.622 1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.786 10.561 3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.638 11.489 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.760 10.317 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.886 9.415 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.519 9.806 5.548 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.187 8.310 6.210 1.00 0.00 H new ATOM 388 N ASP A 24 0.401 12.371 2.274 1.00 0.00 N ATOM 389 CA ASP A 24 -0.839 13.035 2.539 1.00 0.00 C ATOM 390 C ASP A 24 -1.089 12.869 4.011 1.00 0.00 C ATOM 391 O ASP A 24 -0.985 11.762 4.556 1.00 0.00 O ATOM 392 CB ASP A 24 -1.978 12.393 1.761 1.00 0.00 C ATOM 393 CG ASP A 24 -3.201 13.279 1.620 1.00 0.00 C ATOM 394 OD1 ASP A 24 -3.762 13.698 2.648 1.00 0.00 O ATOM 395 OD2 ASP A 24 -3.624 13.534 0.470 1.00 0.00 O ATOM 0 H ASP A 24 0.310 11.460 1.824 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.788 14.082 2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.620 12.124 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.268 11.467 2.257 1.00 0.00 H new ATOM 400 N TRP A 25 -1.363 13.962 4.651 1.00 0.00 N ATOM 401 CA TRP A 25 -1.674 13.960 6.067 1.00 0.00 C ATOM 402 C TRP A 25 -2.861 13.049 6.319 1.00 0.00 C ATOM 403 O TRP A 25 -2.976 12.421 7.369 1.00 0.00 O ATOM 404 CB TRP A 25 -1.984 15.375 6.541 1.00 0.00 C ATOM 405 CG TRP A 25 -0.900 16.344 6.217 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.794 17.086 5.087 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.232 16.677 7.024 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.332 17.851 5.137 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.976 17.631 6.321 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.683 16.266 8.271 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.151 18.182 6.828 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.844 16.810 8.782 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.566 17.761 8.062 1.00 0.00 C ATOM 0 H TRP A 25 -1.380 14.885 4.218 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.813 13.592 6.625 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.914 15.711 6.083 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.145 15.365 7.619 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.498 17.072 4.268 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.645 18.488 4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.131 15.529 8.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.713 18.914 6.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.198 16.495 9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.470 18.173 8.486 1.00 0.00 H new ATOM 424 N ALA A 26 -3.734 12.985 5.329 1.00 0.00 N ATOM 425 CA ALA A 26 -4.901 12.123 5.379 1.00 0.00 C ATOM 426 C ALA A 26 -4.556 10.668 5.060 1.00 0.00 C ATOM 427 O ALA A 26 -5.346 9.769 5.357 1.00 0.00 O ATOM 428 CB ALA A 26 -5.979 12.630 4.435 1.00 0.00 C ATOM 0 H ALA A 26 -3.654 13.528 4.469 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.280 12.152 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.846 11.972 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.272 13.639 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.593 12.644 3.416 1.00 0.00 H new ATOM 434 N ALA A 27 -3.384 10.416 4.473 1.00 0.00 N ATOM 435 CA ALA A 27 -3.077 9.085 3.995 1.00 0.00 C ATOM 436 C ALA A 27 -2.313 8.331 5.051 1.00 0.00 C ATOM 437 O ALA A 27 -1.537 8.914 5.780 1.00 0.00 O ATOM 438 CB ALA A 27 -2.281 9.142 2.701 1.00 0.00 C ATOM 0 H ALA A 27 -2.650 11.108 4.323 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.012 8.564 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.063 8.129 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.862 9.662 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.346 9.676 2.872 1.00 0.00 H new ATOM 444 N GLN A 28 -2.519 7.039 5.108 1.00 0.00 N ATOM 445 CA GLN A 28 -1.909 6.192 6.096 1.00 0.00 C ATOM 446 C GLN A 28 -0.848 5.403 5.398 1.00 0.00 C ATOM 447 O GLN A 28 -0.399 4.369 5.872 1.00 0.00 O ATOM 448 CB GLN A 28 -2.940 5.229 6.690 1.00 0.00 C ATOM 449 CG GLN A 28 -4.044 5.917 7.460 1.00 0.00 C ATOM 450 CD GLN A 28 -3.482 6.792 8.547 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.236 6.335 9.653 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.258 8.055 8.231 1.00 0.00 N ATOM 0 H GLN A 28 -3.126 6.540 4.457 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.498 6.793 6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.382 4.643 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.430 4.528 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.646 6.519 6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.707 5.170 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.479 8.393 7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.864 8.692 8.924 1.00 0.00 H new ATOM 461 N GLU A 29 -0.493 5.877 4.230 1.00 0.00 N ATOM 462 CA GLU A 29 0.396 5.141 3.382 1.00 0.00 C ATOM 463 C GLU A 29 1.281 6.045 2.543 1.00 0.00 C ATOM 464 O GLU A 29 0.845 7.095 2.072 1.00 0.00 O ATOM 465 CB GLU A 29 -0.417 4.221 2.494 1.00 0.00 C ATOM 466 CG GLU A 29 -1.054 3.053 3.218 1.00 0.00 C ATOM 467 CD GLU A 29 -1.557 1.995 2.268 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.646 2.177 1.688 1.00 0.00 O ATOM 469 OE2 GLU A 29 -0.860 0.978 2.095 1.00 0.00 O ATOM 0 H GLU A 29 -0.808 6.769 3.849 1.00 0.00 H new ATOM 0 HA GLU A 29 1.063 4.558 4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.201 4.803 2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.228 3.835 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.327 2.610 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.882 3.414 3.827 1.00 0.00 H new ATOM 476 N PRO A 30 2.542 5.629 2.331 1.00 0.00 N ATOM 477 CA PRO A 30 3.058 4.353 2.842 1.00 0.00 C ATOM 478 C PRO A 30 3.491 4.420 4.310 1.00 0.00 C ATOM 479 O PRO A 30 4.344 3.653 4.753 1.00 0.00 O ATOM 480 CB PRO A 30 4.260 4.092 1.938 1.00 0.00 C ATOM 481 CG PRO A 30 4.756 5.449 1.564 1.00 0.00 C ATOM 482 CD PRO A 30 3.556 6.361 1.550 1.00 0.00 C ATOM 0 HA PRO A 30 2.300 3.570 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.028 3.519 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.975 3.518 1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.500 5.800 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.238 5.429 0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.784 7.328 1.999 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.214 6.554 0.533 1.00 0.00 H new ATOM 490 N HIS A 31 2.908 5.354 5.051 1.00 0.00 N ATOM 491 CA HIS A 31 3.193 5.510 6.467 1.00 0.00 C ATOM 492 C HIS A 31 1.888 5.701 7.211 1.00 0.00 C ATOM 493 O HIS A 31 1.212 6.732 7.075 1.00 0.00 O ATOM 494 CB HIS A 31 4.153 6.686 6.713 1.00 0.00 C ATOM 495 CG HIS A 31 5.500 6.485 6.089 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.711 6.569 4.735 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.700 6.169 6.632 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.974 6.307 4.468 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.601 6.063 5.599 1.00 0.00 N ATOM 0 H HIS A 31 2.227 6.021 4.687 1.00 0.00 H new ATOM 0 HA HIS A 31 3.690 4.613 6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.708 7.599 6.317 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.274 6.830 7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.910 6.027 7.682 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.421 6.295 3.485 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.590 5.834 5.693 1.00 0.00 H new ATOM 508 N ARG A 32 1.510 4.679 7.955 1.00 0.00 N ATOM 509 CA ARG A 32 0.229 4.674 8.629 1.00 0.00 C ATOM 510 C ARG A 32 0.305 5.593 9.837 1.00 0.00 C ATOM 511 O ARG A 32 1.092 5.345 10.751 1.00 0.00 O ATOM 512 CB ARG A 32 -0.166 3.262 9.094 1.00 0.00 C ATOM 513 CG ARG A 32 0.773 2.151 8.645 1.00 0.00 C ATOM 514 CD ARG A 32 0.620 1.845 7.166 1.00 0.00 C ATOM 515 NE ARG A 32 1.579 0.846 6.708 1.00 0.00 N ATOM 516 CZ ARG A 32 1.550 0.289 5.501 1.00 0.00 C ATOM 517 NH1 ARG A 32 0.591 0.609 4.641 1.00 0.00 N ATOM 518 NH2 ARG A 32 2.477 -0.591 5.154 1.00 0.00 N ATOM 0 H ARG A 32 2.073 3.842 8.107 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.528 5.020 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.218 3.256 10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.168 3.041 8.726 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.803 2.441 8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.573 1.250 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.392 1.490 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.751 2.762 6.592 1.00 0.00 H new ATOM 0 HE ARG A 32 2.316 0.558 7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.127 1.284 4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.572 0.180 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.214 -0.842 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.454 -1.018 4.228 1.00 0.00 H new ATOM 532 N HIS A 33 -0.496 6.643 9.860 1.00 0.00 N ATOM 533 CA HIS A 33 -0.402 7.610 10.950 1.00 0.00 C ATOM 534 C HIS A 33 -1.766 8.206 11.273 1.00 0.00 C ATOM 535 O HIS A 33 -2.262 9.106 10.601 1.00 0.00 O ATOM 536 CB HIS A 33 0.609 8.720 10.625 1.00 0.00 C ATOM 537 CG HIS A 33 0.177 9.601 9.505 1.00 0.00 C ATOM 538 ND1 HIS A 33 0.017 10.951 9.621 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.182 9.293 8.261 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.425 11.448 8.493 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.550 10.464 7.641 1.00 0.00 N ATOM 0 H HIS A 33 -1.205 6.850 9.156 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.046 7.077 11.831 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.769 9.328 11.515 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.567 8.266 10.372 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.184 8.307 7.820 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.647 12.487 8.300 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.868 10.551 6.676 1.00 0.00 H new ATOM 550 N SER A 34 -2.375 7.679 12.298 1.00 0.00 N ATOM 551 CA SER A 34 -3.651 8.191 12.782 1.00 0.00 C ATOM 552 C SER A 34 -3.449 9.474 13.598 1.00 0.00 C ATOM 553 O SER A 34 -4.254 9.802 14.472 1.00 0.00 O ATOM 554 CB SER A 34 -4.343 7.132 13.641 1.00 0.00 C ATOM 555 OG SER A 34 -4.343 5.869 12.996 1.00 0.00 O ATOM 0 H SER A 34 -2.013 6.886 12.827 1.00 0.00 H new ATOM 0 HA SER A 34 -4.278 8.425 11.921 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.836 7.052 14.603 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.369 7.439 13.845 1.00 0.00 H new ATOM 0 HG SER A 34 -4.790 5.210 13.567 1.00 0.00 H new ATOM 561 N ILE A 35 -2.386 10.207 13.288 1.00 0.00 N ATOM 562 CA ILE A 35 -2.012 11.387 14.025 1.00 0.00 C ATOM 563 C ILE A 35 -1.523 12.434 13.052 1.00 0.00 C ATOM 564 O ILE A 35 -0.965 12.100 11.996 1.00 0.00 O ATOM 565 CB ILE A 35 -0.911 11.113 15.073 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.300 10.458 14.406 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.440 10.246 16.208 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.459 10.222 15.350 1.00 0.00 C ATOM 0 H ILE A 35 -1.761 9.990 12.511 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.893 11.731 14.566 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.599 12.065 15.502 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.005 9.505 13.974 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.636 11.088 13.583 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.644 10.069 16.932 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.270 10.755 16.699 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.785 9.293 15.807 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.281 9.755 14.807 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.791 11.174 15.763 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.141 9.566 16.160 1.00 0.00 H new ATOM 580 N PHE A 36 -1.731 13.684 13.417 1.00 0.00 N ATOM 581 CA PHE A 36 -1.425 14.810 12.571 1.00 0.00 C ATOM 582 C PHE A 36 -2.036 14.629 11.191 1.00 0.00 C ATOM 583 O PHE A 36 -1.381 14.782 10.162 1.00 0.00 O ATOM 584 CB PHE A 36 0.080 15.044 12.512 1.00 0.00 C ATOM 585 CG PHE A 36 0.720 15.112 13.871 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.582 16.242 14.659 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.452 14.045 14.362 1.00 0.00 C ATOM 588 CE1 PHE A 36 1.166 16.308 15.910 1.00 0.00 C ATOM 589 CE2 PHE A 36 2.038 14.104 15.612 1.00 0.00 C ATOM 590 CZ PHE A 36 1.894 15.236 16.386 1.00 0.00 C ATOM 0 H PHE A 36 -2.123 13.944 14.322 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.872 15.706 13.002 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.544 14.242 11.938 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.277 15.973 11.977 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.011 17.082 14.292 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.567 13.155 13.761 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.053 17.196 16.514 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.608 13.265 15.982 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.350 15.284 17.364 1.00 0.00 H new ATOM 600 N THR A 37 -3.299 14.253 11.208 1.00 0.00 N ATOM 601 CA THR A 37 -4.113 14.173 10.013 1.00 0.00 C ATOM 602 C THR A 37 -4.997 15.411 9.930 1.00 0.00 C ATOM 603 O THR A 37 -5.007 16.229 10.855 1.00 0.00 O ATOM 604 CB THR A 37 -5.026 12.933 10.058 1.00 0.00 C ATOM 605 OG1 THR A 37 -5.969 13.072 11.131 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.217 11.661 10.253 1.00 0.00 C ATOM 0 H THR A 37 -3.794 13.992 12.061 1.00 0.00 H new ATOM 0 HA THR A 37 -3.453 14.105 9.148 1.00 0.00 H new ATOM 0 HB THR A 37 -5.552 12.860 9.106 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.495 13.318 11.953 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.889 10.803 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.515 11.546 9.427 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.666 11.721 11.191 1.00 0.00 H new ATOM 614 N PRO A 38 -5.770 15.574 8.848 1.00 0.00 N ATOM 615 CA PRO A 38 -6.800 16.606 8.783 1.00 0.00 C ATOM 616 C PRO A 38 -7.976 16.271 9.693 1.00 0.00 C ATOM 617 O PRO A 38 -8.864 17.096 9.914 1.00 0.00 O ATOM 618 CB PRO A 38 -7.252 16.598 7.319 1.00 0.00 C ATOM 619 CG PRO A 38 -6.262 15.750 6.589 1.00 0.00 C ATOM 620 CD PRO A 38 -5.691 14.802 7.601 1.00 0.00 C ATOM 0 HA PRO A 38 -6.425 17.576 9.110 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.259 16.192 7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.276 17.609 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.741 15.207 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.478 16.363 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.266 13.878 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.665 14.524 7.361 1.00 0.00 H new ATOM 628 N GLU A 39 -7.973 15.050 10.227 1.00 0.00 N ATOM 629 CA GLU A 39 -9.054 14.586 11.078 1.00 0.00 C ATOM 630 C GLU A 39 -8.734 14.897 12.533 1.00 0.00 C ATOM 631 O GLU A 39 -9.624 15.191 13.333 1.00 0.00 O ATOM 632 CB GLU A 39 -9.261 13.078 10.910 1.00 0.00 C ATOM 633 CG GLU A 39 -9.299 12.612 9.461 1.00 0.00 C ATOM 634 CD GLU A 39 -10.387 13.282 8.652 1.00 0.00 C ATOM 635 OE1 GLU A 39 -11.535 12.796 8.672 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.099 14.288 7.976 1.00 0.00 O ATOM 0 H GLU A 39 -7.229 14.367 10.081 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.970 15.101 10.787 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.459 12.552 11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.194 12.794 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.334 12.811 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.448 11.533 9.436 1.00 0.00 H new ATOM 643 N THR A 40 -7.453 14.838 12.867 1.00 0.00 N ATOM 644 CA THR A 40 -7.009 15.050 14.233 1.00 0.00 C ATOM 645 C THR A 40 -6.571 16.493 14.452 1.00 0.00 C ATOM 646 O THR A 40 -6.638 17.013 15.568 1.00 0.00 O ATOM 647 CB THR A 40 -5.841 14.105 14.577 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.817 14.215 13.579 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.312 12.663 14.667 1.00 0.00 C ATOM 0 H THR A 40 -6.701 14.644 12.206 1.00 0.00 H new ATOM 0 HA THR A 40 -7.853 14.836 14.888 1.00 0.00 H new ATOM 0 HB THR A 40 -5.442 14.398 15.548 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.238 14.978 13.787 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.467 12.019 14.911 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.071 12.576 15.444 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.736 12.358 13.710 1.00 0.00 H new ATOM 657 N ASN A 41 -6.133 17.145 13.380 1.00 0.00 N ATOM 658 CA ASN A 41 -5.581 18.489 13.483 1.00 0.00 C ATOM 659 C ASN A 41 -6.160 19.414 12.420 1.00 0.00 C ATOM 660 O ASN A 41 -5.427 19.986 11.623 1.00 0.00 O ATOM 661 CB ASN A 41 -4.060 18.443 13.332 1.00 0.00 C ATOM 662 CG ASN A 41 -3.389 17.649 14.427 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.295 16.425 14.361 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.892 18.347 15.425 1.00 0.00 N ATOM 0 H ASN A 41 -6.150 16.765 12.433 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.848 18.880 14.465 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.808 18.006 12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.668 19.460 13.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.405 17.873 16.186 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.994 19.362 15.438 1.00 0.00 H new ATOM 671 N PRO A 42 -7.478 19.627 12.412 1.00 0.00 N ATOM 672 CA PRO A 42 -8.118 20.465 11.401 1.00 0.00 C ATOM 673 C PRO A 42 -7.932 21.956 11.682 1.00 0.00 C ATOM 674 O PRO A 42 -8.712 22.787 11.223 1.00 0.00 O ATOM 675 CB PRO A 42 -9.591 20.070 11.491 1.00 0.00 C ATOM 676 CG PRO A 42 -9.788 19.532 12.871 1.00 0.00 C ATOM 677 CD PRO A 42 -8.442 19.087 13.385 1.00 0.00 C ATOM 0 HA PRO A 42 -7.689 20.313 10.410 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.237 20.929 11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.841 19.320 10.740 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.213 20.296 13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.488 18.697 12.860 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.253 19.472 14.387 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.379 18.000 13.444 1.00 0.00 H new ATOM 685 N ARG A 43 -6.889 22.289 12.435 1.00 0.00 N ATOM 686 CA ARG A 43 -6.626 23.667 12.809 1.00 0.00 C ATOM 687 C ARG A 43 -5.367 24.203 12.126 1.00 0.00 C ATOM 688 O ARG A 43 -5.204 25.411 11.976 1.00 0.00 O ATOM 689 CB ARG A 43 -6.476 23.754 14.324 1.00 0.00 C ATOM 690 CG ARG A 43 -5.321 22.930 14.859 1.00 0.00 C ATOM 691 CD ARG A 43 -5.525 22.581 16.317 1.00 0.00 C ATOM 692 NE ARG A 43 -4.322 22.018 16.920 1.00 0.00 N ATOM 693 CZ ARG A 43 -4.265 20.831 17.524 1.00 0.00 C ATOM 694 NH1 ARG A 43 -5.327 20.029 17.535 1.00 0.00 N ATOM 695 NH2 ARG A 43 -3.141 20.441 18.107 1.00 0.00 N ATOM 0 H ARG A 43 -6.212 21.618 12.798 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.465 24.281 12.481 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.333 24.796 14.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.401 23.419 14.794 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.222 22.016 14.274 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.390 23.485 14.742 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.820 23.475 16.865 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.344 21.867 16.407 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.466 22.570 16.877 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.192 20.321 17.079 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.276 19.122 17.999 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.322 21.049 18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.095 19.533 18.570 1.00 0.00 H new ATOM 709 N ALA A 44 -4.479 23.307 11.704 1.00 0.00 N ATOM 710 CA ALA A 44 -3.223 23.730 11.108 1.00 0.00 C ATOM 711 C ALA A 44 -3.262 23.579 9.595 1.00 0.00 C ATOM 712 O ALA A 44 -2.245 23.704 8.919 1.00 0.00 O ATOM 713 CB ALA A 44 -2.052 22.963 11.706 1.00 0.00 C ATOM 0 H ALA A 44 -4.606 22.297 11.764 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.080 24.787 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.124 23.298 11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.008 23.145 12.780 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.184 21.897 11.523 1.00 0.00 H new ATOM 719 N GLY A 45 -4.452 23.292 9.084 1.00 0.00 N ATOM 720 CA GLY A 45 -4.670 23.255 7.652 1.00 0.00 C ATOM 721 C GLY A 45 -3.858 22.176 6.975 1.00 0.00 C ATOM 722 O GLY A 45 -3.208 22.421 5.964 1.00 0.00 O ATOM 0 H GLY A 45 -5.279 23.082 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.729 23.089 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.413 24.223 7.223 1.00 0.00 H new ATOM 726 N LEU A 46 -3.889 20.985 7.549 1.00 0.00 N ATOM 727 CA LEU A 46 -3.170 19.849 6.994 1.00 0.00 C ATOM 728 C LEU A 46 -3.921 19.289 5.795 1.00 0.00 C ATOM 729 O LEU A 46 -4.560 18.239 5.867 1.00 0.00 O ATOM 730 CB LEU A 46 -2.960 18.769 8.058 1.00 0.00 C ATOM 731 CG LEU A 46 -2.106 19.203 9.257 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.908 20.010 10.249 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.482 18.004 9.939 1.00 0.00 C ATOM 0 H LEU A 46 -4.407 20.779 8.403 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.189 20.187 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.934 18.444 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.490 17.904 7.590 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.309 19.840 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.269 20.299 11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.295 20.905 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.739 19.410 10.619 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.882 18.338 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.268 17.337 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.846 17.473 9.231 1.00 0.00 H new ATOM 745 N GLU A 47 -3.843 20.014 4.697 1.00 0.00 N ATOM 746 CA GLU A 47 -4.524 19.658 3.483 1.00 0.00 C ATOM 747 C GLU A 47 -3.569 18.929 2.555 1.00 0.00 C ATOM 748 O GLU A 47 -2.406 19.313 2.428 1.00 0.00 O ATOM 749 CB GLU A 47 -5.107 20.916 2.824 1.00 0.00 C ATOM 750 CG GLU A 47 -4.174 22.123 2.846 1.00 0.00 C ATOM 751 CD GLU A 47 -4.840 23.399 2.375 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.431 24.112 3.216 1.00 0.00 O ATOM 753 OE2 GLU A 47 -4.764 23.709 1.169 1.00 0.00 O ATOM 0 H GLU A 47 -3.298 20.874 4.629 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.352 18.986 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.361 20.686 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.036 21.180 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.801 22.268 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.309 21.918 2.215 1.00 0.00 H new ATOM 760 N LYS A 48 -4.057 17.856 1.950 1.00 0.00 N ATOM 761 CA LYS A 48 -3.260 17.034 1.051 1.00 0.00 C ATOM 762 C LYS A 48 -1.939 16.616 1.687 1.00 0.00 C ATOM 763 O LYS A 48 -1.919 15.851 2.644 1.00 0.00 O ATOM 764 CB LYS A 48 -3.008 17.752 -0.276 1.00 0.00 C ATOM 765 CG LYS A 48 -4.227 17.792 -1.185 1.00 0.00 C ATOM 766 CD LYS A 48 -4.795 16.397 -1.416 1.00 0.00 C ATOM 767 CE LYS A 48 -3.814 15.491 -2.145 1.00 0.00 C ATOM 768 NZ LYS A 48 -4.219 14.064 -2.063 1.00 0.00 N ATOM 0 H LYS A 48 -5.016 17.531 2.068 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.836 16.130 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.683 18.772 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.191 17.256 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.992 18.429 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.955 18.239 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.057 15.950 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.716 16.473 -1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.749 15.791 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.819 15.612 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.565 13.485 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.191 13.752 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.185 13.955 -2.433 1.00 0.00 H new ATOM 782 N ASN A 49 -0.842 17.145 1.175 1.00 0.00 N ATOM 783 CA ASN A 49 0.469 16.796 1.680 1.00 0.00 C ATOM 784 C ASN A 49 1.337 18.037 1.796 1.00 0.00 C ATOM 785 O ASN A 49 2.559 17.954 1.882 1.00 0.00 O ATOM 786 CB ASN A 49 1.132 15.757 0.776 1.00 0.00 C ATOM 787 CG ASN A 49 1.463 16.273 -0.613 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.766 17.129 -1.163 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.532 15.750 -1.192 1.00 0.00 N ATOM 0 H ASN A 49 -0.836 17.818 0.409 1.00 0.00 H new ATOM 0 HA ASN A 49 0.355 16.361 2.673 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.049 15.408 1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.472 14.895 0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.805 16.053 -2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.083 15.044 -0.703 1.00 0.00 H new ATOM 796 N TYR A 50 0.685 19.191 1.799 1.00 0.00 N ATOM 797 CA TYR A 50 1.391 20.460 1.961 1.00 0.00 C ATOM 798 C TYR A 50 1.954 20.526 3.368 1.00 0.00 C ATOM 799 O TYR A 50 1.227 20.298 4.330 1.00 0.00 O ATOM 800 CB TYR A 50 0.458 21.654 1.739 1.00 0.00 C ATOM 801 CG TYR A 50 -0.403 21.566 0.498 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.137 21.712 -0.771 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.764 21.341 0.603 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.660 21.635 -1.898 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.569 21.262 -0.512 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.014 21.408 -1.764 1.00 0.00 C ATOM 807 OH TYR A 50 -2.811 21.338 -2.887 1.00 0.00 O ATOM 0 H TYR A 50 -0.326 19.278 1.692 1.00 0.00 H new ATOM 0 HA TYR A 50 2.188 20.510 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.192 21.756 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.059 22.561 1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.197 21.889 -0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.206 21.225 1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.224 21.752 -2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.629 21.087 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.739 21.172 -2.620 1.00 0.00 H new ATOM 817 N CYS A 51 3.234 20.852 3.484 1.00 0.00 N ATOM 818 CA CYS A 51 3.924 20.828 4.758 1.00 0.00 C ATOM 819 C CYS A 51 3.200 21.668 5.787 1.00 0.00 C ATOM 820 O CYS A 51 2.559 22.663 5.447 1.00 0.00 O ATOM 821 CB CYS A 51 5.344 21.337 4.583 1.00 0.00 C ATOM 822 SG CYS A 51 6.368 20.275 3.528 1.00 0.00 S ATOM 0 H CYS A 51 3.818 21.139 2.698 1.00 0.00 H new ATOM 0 HA CYS A 51 3.946 19.798 5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.312 22.339 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.814 21.424 5.563 1.00 0.00 H new ATOM 827 N ARG A 52 3.311 21.273 7.043 1.00 0.00 N ATOM 828 CA ARG A 52 2.610 21.946 8.122 1.00 0.00 C ATOM 829 C ARG A 52 3.352 21.781 9.420 1.00 0.00 C ATOM 830 O ARG A 52 4.303 21.011 9.505 1.00 0.00 O ATOM 831 CB ARG A 52 1.192 21.390 8.291 1.00 0.00 C ATOM 832 CG ARG A 52 0.201 21.958 7.301 1.00 0.00 C ATOM 833 CD ARG A 52 0.364 23.460 7.204 1.00 0.00 C ATOM 834 NE ARG A 52 -0.716 24.078 6.463 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.665 24.362 5.157 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.419 24.064 4.448 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.701 24.929 4.550 1.00 0.00 N ATOM 0 H ARG A 52 3.884 20.484 7.342 1.00 0.00 H new ATOM 0 HA ARG A 52 2.553 23.003 7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.220 20.306 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.845 21.601 9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.353 21.504 6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.815 21.714 7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.405 23.885 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.313 23.691 6.721 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.570 24.312 6.969 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.217 23.617 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.453 24.283 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.544 25.151 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.654 25.142 3.554 1.00 0.00 H new ATOM 851 N ASN A 53 2.927 22.507 10.432 1.00 0.00 N ATOM 852 CA ASN A 53 3.435 22.265 11.760 1.00 0.00 C ATOM 853 C ASN A 53 2.276 22.164 12.736 1.00 0.00 C ATOM 854 O ASN A 53 1.991 23.106 13.470 1.00 0.00 O ATOM 855 CB ASN A 53 4.408 23.355 12.202 1.00 0.00 C ATOM 856 CG ASN A 53 5.367 22.838 13.246 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.116 21.808 13.875 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.452 23.558 13.459 1.00 0.00 N ATOM 0 H ASN A 53 2.241 23.258 10.361 1.00 0.00 H new ATOM 0 HA ASN A 53 3.986 21.325 11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.966 23.719 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.852 24.202 12.603 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.125 23.269 14.169 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.618 24.404 12.914 1.00 0.00 H new ATOM 865 N PRO A 54 1.581 21.011 12.750 1.00 0.00 N ATOM 866 CA PRO A 54 0.439 20.801 13.631 1.00 0.00 C ATOM 867 C PRO A 54 0.841 20.724 15.095 1.00 0.00 C ATOM 868 O PRO A 54 -0.003 20.804 15.984 1.00 0.00 O ATOM 869 CB PRO A 54 -0.173 19.484 13.157 1.00 0.00 C ATOM 870 CG PRO A 54 0.913 18.781 12.421 1.00 0.00 C ATOM 871 CD PRO A 54 1.849 19.840 11.899 1.00 0.00 C ATOM 0 HA PRO A 54 -0.262 21.634 13.579 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.524 18.889 14.000 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.033 19.661 12.511 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.441 18.091 13.079 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.504 18.190 11.602 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.889 19.524 11.973 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.657 20.059 10.849 1.00 0.00 H new ATOM 879 N ASP A 55 2.133 20.581 15.335 1.00 0.00 N ATOM 880 CA ASP A 55 2.661 20.593 16.687 1.00 0.00 C ATOM 881 C ASP A 55 3.169 21.977 17.018 1.00 0.00 C ATOM 882 O ASP A 55 3.196 22.401 18.172 1.00 0.00 O ATOM 883 CB ASP A 55 3.822 19.614 16.827 1.00 0.00 C ATOM 884 CG ASP A 55 3.939 19.071 18.234 1.00 0.00 C ATOM 885 OD1 ASP A 55 2.999 18.385 18.690 1.00 0.00 O ATOM 886 OD2 ASP A 55 4.959 19.337 18.901 1.00 0.00 O ATOM 0 H ASP A 55 2.837 20.455 14.608 1.00 0.00 H new ATOM 0 HA ASP A 55 1.859 20.302 17.365 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.685 18.787 16.130 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.752 20.112 16.552 1.00 0.00 H new ATOM 891 N GLY A 56 3.542 22.683 15.964 1.00 0.00 N ATOM 892 CA GLY A 56 4.290 23.902 16.097 1.00 0.00 C ATOM 893 C GLY A 56 5.627 23.634 16.721 1.00 0.00 C ATOM 894 O GLY A 56 6.089 24.392 17.572 1.00 0.00 O ATOM 0 H GLY A 56 3.332 22.421 15.001 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.425 24.361 15.118 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.733 24.612 16.708 1.00 0.00 H new ATOM 898 N ASP A 57 6.218 22.512 16.314 1.00 0.00 N ATOM 899 CA ASP A 57 7.586 22.178 16.668 1.00 0.00 C ATOM 900 C ASP A 57 8.480 23.399 16.505 1.00 0.00 C ATOM 901 O ASP A 57 8.441 24.062 15.466 1.00 0.00 O ATOM 902 CB ASP A 57 8.109 21.070 15.757 1.00 0.00 C ATOM 903 CG ASP A 57 9.302 20.351 16.345 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.326 21.011 16.609 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.215 19.123 16.558 1.00 0.00 O ATOM 0 H ASP A 57 5.758 21.813 15.730 1.00 0.00 H new ATOM 0 HA ASP A 57 7.599 21.843 17.705 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.311 20.351 15.570 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.385 21.497 14.793 1.00 0.00 H new ATOM 910 N VAL A 58 9.297 23.669 17.513 1.00 0.00 N ATOM 911 CA VAL A 58 10.153 24.851 17.525 1.00 0.00 C ATOM 912 C VAL A 58 11.269 24.724 16.483 1.00 0.00 C ATOM 913 O VAL A 58 12.087 25.629 16.301 1.00 0.00 O ATOM 914 CB VAL A 58 10.771 25.073 18.927 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.382 26.462 19.050 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.729 24.848 20.012 1.00 0.00 C ATOM 0 H VAL A 58 9.387 23.081 18.341 1.00 0.00 H new ATOM 0 HA VAL A 58 9.532 25.711 17.276 1.00 0.00 H new ATOM 0 HB VAL A 58 11.572 24.345 19.058 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.807 26.586 20.046 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.167 26.582 18.303 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.610 27.215 18.889 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.182 25.009 20.990 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.904 25.547 19.875 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.353 23.827 19.949 1.00 0.00 H new ATOM 926 N GLY A 59 11.278 23.596 15.784 1.00 0.00 N ATOM 927 CA GLY A 59 12.281 23.347 14.787 1.00 0.00 C ATOM 928 C GLY A 59 11.804 23.750 13.416 1.00 0.00 C ATOM 929 O GLY A 59 12.613 23.936 12.504 1.00 0.00 O ATOM 0 H GLY A 59 10.596 22.846 15.898 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.188 23.898 15.035 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.541 22.289 14.787 1.00 0.00 H new ATOM 933 N GLY A 60 10.490 23.888 13.259 1.00 0.00 N ATOM 934 CA GLY A 60 9.962 24.298 11.980 1.00 0.00 C ATOM 935 C GLY A 60 8.928 23.331 11.469 1.00 0.00 C ATOM 936 O GLY A 60 8.635 22.336 12.133 1.00 0.00 O ATOM 0 H GLY A 60 9.794 23.725 13.987 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.519 25.290 12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.775 24.376 11.259 1.00 0.00 H new ATOM 940 N PRO A 61 8.367 23.582 10.284 1.00 0.00 N ATOM 941 CA PRO A 61 7.296 22.768 9.749 1.00 0.00 C ATOM 942 C PRO A 61 7.824 21.465 9.193 1.00 0.00 C ATOM 943 O PRO A 61 8.997 21.346 8.830 1.00 0.00 O ATOM 944 CB PRO A 61 6.713 23.638 8.647 1.00 0.00 C ATOM 945 CG PRO A 61 7.881 24.400 8.151 1.00 0.00 C ATOM 946 CD PRO A 61 8.760 24.647 9.349 1.00 0.00 C ATOM 0 HA PRO A 61 6.561 22.484 10.502 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.262 23.037 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.935 24.300 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.416 23.838 7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.568 25.340 7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.817 24.586 9.091 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.592 25.637 9.774 1.00 0.00 H new ATOM 954 N TRP A 62 6.953 20.504 9.106 1.00 0.00 N ATOM 955 CA TRP A 62 7.341 19.159 8.812 1.00 0.00 C ATOM 956 C TRP A 62 6.218 18.472 8.076 1.00 0.00 C ATOM 957 O TRP A 62 5.247 19.112 7.661 1.00 0.00 O ATOM 958 CB TRP A 62 7.649 18.426 10.120 1.00 0.00 C ATOM 959 CG TRP A 62 6.505 18.476 11.085 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.113 19.543 11.825 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.609 17.418 11.408 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.009 19.217 12.575 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.692 17.917 12.346 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.495 16.101 10.996 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.673 17.144 12.875 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.483 15.333 11.523 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.584 15.854 12.453 1.00 0.00 C ATOM 0 H TRP A 62 5.950 20.633 9.238 1.00 0.00 H new ATOM 0 HA TRP A 62 8.233 19.152 8.186 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.892 17.386 9.902 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.531 18.869 10.583 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.598 20.508 11.825 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.509 19.848 13.201 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.185 15.686 10.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.976 17.549 13.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.382 14.304 11.210 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.802 15.221 12.846 1.00 0.00 H new ATOM 978 N CYS A 63 6.365 17.187 7.913 1.00 0.00 N ATOM 979 CA CYS A 63 5.372 16.371 7.270 1.00 0.00 C ATOM 980 C CYS A 63 5.723 14.918 7.492 1.00 0.00 C ATOM 981 O CYS A 63 6.702 14.609 8.165 1.00 0.00 O ATOM 982 CB CYS A 63 5.307 16.692 5.780 1.00 0.00 C ATOM 983 SG CYS A 63 6.845 16.358 4.865 1.00 0.00 S ATOM 0 H CYS A 63 7.187 16.670 8.226 1.00 0.00 H new ATOM 0 HA CYS A 63 4.390 16.575 7.696 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.500 16.113 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.049 17.744 5.659 1.00 0.00 H new ATOM 988 N TYR A 64 4.930 14.031 6.941 1.00 0.00 N ATOM 989 CA TYR A 64 5.278 12.630 6.917 1.00 0.00 C ATOM 990 C TYR A 64 5.803 12.345 5.540 1.00 0.00 C ATOM 991 O TYR A 64 5.373 12.990 4.596 1.00 0.00 O ATOM 992 CB TYR A 64 4.074 11.760 7.261 1.00 0.00 C ATOM 993 CG TYR A 64 3.759 11.771 8.737 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.482 10.978 9.614 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.750 12.569 9.257 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.213 10.977 10.967 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.473 12.574 10.611 1.00 0.00 C ATOM 998 CZ TYR A 64 3.207 11.775 11.460 1.00 0.00 C ATOM 999 OH TYR A 64 2.933 11.772 12.803 1.00 0.00 O ATOM 0 H TYR A 64 4.037 14.255 6.502 1.00 0.00 H new ATOM 0 HA TYR A 64 6.034 12.397 7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.205 12.111 6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.266 10.736 6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.271 10.349 9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.172 13.196 8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.789 10.354 11.635 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.685 13.201 11.002 1.00 0.00 H new ATOM 0 HH TYR A 64 3.348 12.554 13.223 1.00 0.00 H new ATOM 1009 N THR A 65 6.737 11.435 5.395 1.00 0.00 N ATOM 1010 CA THR A 65 7.375 11.290 4.104 1.00 0.00 C ATOM 1011 C THR A 65 6.826 10.066 3.406 1.00 0.00 C ATOM 1012 O THR A 65 6.414 9.117 4.061 1.00 0.00 O ATOM 1013 CB THR A 65 8.910 11.162 4.232 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.271 9.798 4.473 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.442 12.022 5.365 1.00 0.00 C ATOM 0 H THR A 65 7.065 10.803 6.125 1.00 0.00 H new ATOM 0 HA THR A 65 7.161 12.187 3.523 1.00 0.00 H new ATOM 0 HB THR A 65 9.350 11.504 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.291 9.631 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.524 11.910 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.196 13.067 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.988 11.707 6.305 1.00 0.00 H new ATOM 1023 N THR A 66 6.776 10.093 2.084 1.00 0.00 N ATOM 1024 CA THR A 66 6.507 8.880 1.333 1.00 0.00 C ATOM 1025 C THR A 66 7.804 8.081 1.146 1.00 0.00 C ATOM 1026 O THR A 66 7.965 7.333 0.183 1.00 0.00 O ATOM 1027 CB THR A 66 5.874 9.197 -0.036 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.721 10.082 -0.776 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.503 9.834 0.134 1.00 0.00 C ATOM 0 H THR A 66 6.916 10.929 1.517 1.00 0.00 H new ATOM 0 HA THR A 66 5.794 8.281 1.900 1.00 0.00 H new ATOM 0 HB THR A 66 5.760 8.260 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.751 10.954 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.077 10.048 -0.846 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.848 9.149 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.600 10.762 0.698 1.00 0.00 H new ATOM 1037 N ASN A 67 8.715 8.250 2.104 1.00 0.00 N ATOM 1038 CA ASN A 67 10.044 7.657 2.058 1.00 0.00 C ATOM 1039 C ASN A 67 10.153 6.524 3.078 1.00 0.00 C ATOM 1040 O ASN A 67 9.964 6.736 4.276 1.00 0.00 O ATOM 1041 CB ASN A 67 11.071 8.749 2.372 1.00 0.00 C ATOM 1042 CG ASN A 67 12.511 8.329 2.228 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.847 7.148 2.268 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.378 9.315 2.101 1.00 0.00 N ATOM 0 H ASN A 67 8.546 8.809 2.941 1.00 0.00 H new ATOM 0 HA ASN A 67 10.231 7.242 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.888 9.599 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.910 9.096 3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.375 9.112 2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.051 10.281 2.072 1.00 0.00 H new ATOM 1051 N PRO A 68 10.459 5.300 2.621 1.00 0.00 N ATOM 1052 CA PRO A 68 10.576 4.128 3.502 1.00 0.00 C ATOM 1053 C PRO A 68 11.751 4.213 4.477 1.00 0.00 C ATOM 1054 O PRO A 68 11.957 3.315 5.292 1.00 0.00 O ATOM 1055 CB PRO A 68 10.766 2.954 2.528 1.00 0.00 C ATOM 1056 CG PRO A 68 10.378 3.481 1.186 1.00 0.00 C ATOM 1057 CD PRO A 68 10.686 4.950 1.213 1.00 0.00 C ATOM 0 HA PRO A 68 9.700 4.032 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.799 2.607 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.144 2.105 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.935 2.980 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.320 3.308 0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.711 5.155 0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.034 5.513 0.545 1.00 0.00 H new ATOM 1065 N ARG A 69 12.509 5.291 4.395 1.00 0.00 N ATOM 1066 CA ARG A 69 13.635 5.514 5.287 1.00 0.00 C ATOM 1067 C ARG A 69 13.206 6.154 6.604 1.00 0.00 C ATOM 1068 O ARG A 69 13.803 5.894 7.649 1.00 0.00 O ATOM 1069 CB ARG A 69 14.646 6.409 4.591 1.00 0.00 C ATOM 1070 CG ARG A 69 15.442 5.697 3.517 1.00 0.00 C ATOM 1071 CD ARG A 69 16.407 4.694 4.127 1.00 0.00 C ATOM 1072 NE ARG A 69 17.304 5.333 5.092 1.00 0.00 N ATOM 1073 CZ ARG A 69 18.211 4.681 5.816 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.377 3.371 5.668 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.959 5.346 6.690 1.00 0.00 N ATOM 0 H ARG A 69 12.364 6.034 3.712 1.00 0.00 H new ATOM 0 HA ARG A 69 14.077 4.546 5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.124 7.255 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.333 6.814 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.763 5.185 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.996 6.427 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.846 3.901 4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.994 4.225 3.337 1.00 0.00 H new ATOM 0 HE ARG A 69 17.229 6.342 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.807 2.857 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.074 2.879 6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.837 6.352 6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.655 4.850 7.247 1.00 0.00 H new ATOM 1089 N LYS A 70 12.183 6.997 6.557 1.00 0.00 N ATOM 1090 CA LYS A 70 11.748 7.715 7.748 1.00 0.00 C ATOM 1091 C LYS A 70 10.244 7.970 7.707 1.00 0.00 C ATOM 1092 O LYS A 70 9.658 8.140 6.641 1.00 0.00 O ATOM 1093 CB LYS A 70 12.517 9.043 7.904 1.00 0.00 C ATOM 1094 CG LYS A 70 12.234 10.085 6.824 1.00 0.00 C ATOM 1095 CD LYS A 70 13.038 9.845 5.555 1.00 0.00 C ATOM 1096 CE LYS A 70 14.531 10.061 5.772 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.851 11.461 6.166 1.00 0.00 N ATOM 0 H LYS A 70 11.643 7.199 5.716 1.00 0.00 H new ATOM 0 HA LYS A 70 11.968 7.091 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.274 9.474 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.586 8.828 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.171 10.074 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.463 11.077 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.867 8.827 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.685 10.515 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.885 9.379 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.068 9.812 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.616 11.825 5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.006 12.056 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.155 11.481 7.160 1.00 0.00 H new ATOM 1111 N LEU A 71 9.628 7.979 8.881 1.00 0.00 N ATOM 1112 CA LEU A 71 8.191 8.197 9.007 1.00 0.00 C ATOM 1113 C LEU A 71 7.846 9.647 8.727 1.00 0.00 C ATOM 1114 O LEU A 71 6.917 9.940 7.974 1.00 0.00 O ATOM 1115 CB LEU A 71 7.736 7.802 10.417 1.00 0.00 C ATOM 1116 CG LEU A 71 6.240 7.951 10.709 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.431 6.909 9.953 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.981 7.842 12.204 1.00 0.00 C ATOM 0 H LEU A 71 10.107 7.836 9.770 1.00 0.00 H new ATOM 0 HA LEU A 71 7.671 7.578 8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.017 6.763 10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.288 8.406 11.137 1.00 0.00 H new ATOM 0 HG LEU A 71 5.923 8.937 10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.372 7.037 10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.592 7.031 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.748 5.911 10.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.914 7.950 12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.318 6.869 12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.525 8.629 12.726 1.00 0.00 H new ATOM 1130 N TYR A 72 8.614 10.547 9.305 1.00 0.00 N ATOM 1131 CA TYR A 72 8.376 11.962 9.129 1.00 0.00 C ATOM 1132 C TYR A 72 9.702 12.699 9.063 1.00 0.00 C ATOM 1133 O TYR A 72 10.743 12.167 9.456 1.00 0.00 O ATOM 1134 CB TYR A 72 7.514 12.515 10.273 1.00 0.00 C ATOM 1135 CG TYR A 72 8.256 12.743 11.572 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.462 11.712 12.480 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.745 14.005 11.891 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.132 11.931 13.667 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.418 14.231 13.072 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.609 13.191 13.958 1.00 0.00 C ATOM 1141 OH TYR A 72 10.275 13.416 15.140 1.00 0.00 O ATOM 0 H TYR A 72 9.410 10.322 9.902 1.00 0.00 H new ATOM 0 HA TYR A 72 7.835 12.113 8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.072 13.458 9.953 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.692 11.824 10.457 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.092 10.723 12.254 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.595 14.822 11.201 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.282 11.119 14.364 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.794 15.217 13.303 1.00 0.00 H new ATOM 0 HH TYR A 72 10.546 14.357 15.189 1.00 0.00 H new ATOM 1151 N ASP A 73 9.651 13.911 8.562 1.00 0.00 N ATOM 1152 CA ASP A 73 10.834 14.747 8.427 1.00 0.00 C ATOM 1153 C ASP A 73 10.385 16.193 8.331 1.00 0.00 C ATOM 1154 O ASP A 73 9.195 16.460 8.223 1.00 0.00 O ATOM 1155 CB ASP A 73 11.630 14.353 7.177 1.00 0.00 C ATOM 1156 CG ASP A 73 13.103 14.713 7.258 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.476 15.565 8.095 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.898 14.123 6.497 1.00 0.00 O ATOM 0 H ASP A 73 8.791 14.351 8.235 1.00 0.00 H new ATOM 0 HA ASP A 73 11.484 14.613 9.292 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.535 13.279 7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.192 14.843 6.308 1.00 0.00 H new ATOM 1163 N TYR A 74 11.320 17.113 8.365 1.00 0.00 N ATOM 1164 CA TYR A 74 10.991 18.531 8.337 1.00 0.00 C ATOM 1165 C TYR A 74 11.050 19.048 6.914 1.00 0.00 C ATOM 1166 O TYR A 74 11.719 18.459 6.075 1.00 0.00 O ATOM 1167 CB TYR A 74 11.955 19.318 9.224 1.00 0.00 C ATOM 1168 CG TYR A 74 11.798 19.001 10.702 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.309 17.821 11.230 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.126 19.868 11.566 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.157 17.512 12.567 1.00 0.00 C ATOM 1172 CE2 TYR A 74 10.971 19.562 12.903 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.489 18.386 13.400 1.00 0.00 C ATOM 1174 OH TYR A 74 11.335 18.077 14.735 1.00 0.00 O ATOM 0 H TYR A 74 12.319 16.911 8.412 1.00 0.00 H new ATOM 0 HA TYR A 74 9.979 18.664 8.720 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.979 19.102 8.919 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.794 20.385 9.068 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.834 17.134 10.583 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.721 20.793 11.182 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.559 16.590 12.959 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.446 20.242 13.557 1.00 0.00 H new ATOM 0 HH TYR A 74 10.488 18.447 15.061 1.00 0.00 H new ATOM 1184 N CYS A 75 10.349 20.140 6.649 1.00 0.00 N ATOM 1185 CA CYS A 75 10.315 20.734 5.320 1.00 0.00 C ATOM 1186 C CYS A 75 11.170 21.986 5.277 1.00 0.00 C ATOM 1187 O CYS A 75 11.658 22.451 6.308 1.00 0.00 O ATOM 1188 CB CYS A 75 8.879 21.075 4.936 1.00 0.00 C ATOM 1189 SG CYS A 75 7.791 19.633 4.814 1.00 0.00 S ATOM 0 H CYS A 75 9.791 20.637 7.343 1.00 0.00 H new ATOM 0 HA CYS A 75 10.714 20.012 4.608 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.470 21.765 5.674 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.883 21.597 3.979 1.00 0.00 H new ATOM 1194 N ASP A 76 11.344 22.541 4.093 1.00 0.00 N ATOM 1195 CA ASP A 76 12.166 23.723 3.931 1.00 0.00 C ATOM 1196 C ASP A 76 11.358 24.845 3.297 1.00 0.00 C ATOM 1197 O ASP A 76 11.568 25.206 2.140 1.00 0.00 O ATOM 1198 CB ASP A 76 13.404 23.405 3.087 1.00 0.00 C ATOM 1199 CG ASP A 76 14.424 24.524 3.118 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.083 24.698 4.164 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.582 25.228 2.097 1.00 0.00 O ATOM 0 H ASP A 76 10.927 22.192 3.230 1.00 0.00 H new ATOM 0 HA ASP A 76 12.500 24.052 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.864 22.487 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.101 23.221 2.056 1.00 0.00 H new ATOM 1206 N VAL A 77 10.405 25.366 4.051 1.00 0.00 N ATOM 1207 CA VAL A 77 9.610 26.495 3.598 1.00 0.00 C ATOM 1208 C VAL A 77 10.089 27.785 4.249 1.00 0.00 C ATOM 1209 O VAL A 77 10.316 27.845 5.457 1.00 0.00 O ATOM 1210 CB VAL A 77 8.101 26.289 3.858 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.836 25.805 5.265 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.321 27.560 3.573 1.00 0.00 C ATOM 0 H VAL A 77 10.163 25.025 4.981 1.00 0.00 H new ATOM 0 HA VAL A 77 9.747 26.570 2.519 1.00 0.00 H new ATOM 0 HB VAL A 77 7.758 25.514 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.764 25.672 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.344 24.854 5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.209 26.539 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.262 27.387 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.681 28.360 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.460 27.846 2.530 1.00 0.00 H new ATOM 1222 N PRO A 78 10.267 28.820 3.420 1.00 0.00 N ATOM 1223 CA PRO A 78 10.750 30.139 3.839 1.00 0.00 C ATOM 1224 C PRO A 78 9.925 30.771 4.937 1.00 0.00 C ATOM 1225 O PRO A 78 8.720 30.540 5.069 1.00 0.00 O ATOM 1226 CB PRO A 78 10.663 30.988 2.559 1.00 0.00 C ATOM 1227 CG PRO A 78 9.817 30.198 1.614 1.00 0.00 C ATOM 1228 CD PRO A 78 10.035 28.764 1.976 1.00 0.00 C ATOM 0 HA PRO A 78 11.752 30.064 4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.219 31.962 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.653 31.171 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.766 30.470 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.103 30.388 0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.169 28.150 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.888 28.339 1.446 1.00 0.00 H new ATOM 1236 N GLN A 79 10.608 31.577 5.719 1.00 0.00 N ATOM 1237 CA GLN A 79 10.019 32.256 6.839 1.00 0.00 C ATOM 1238 C GLN A 79 9.187 33.441 6.375 1.00 0.00 C ATOM 1239 O GLN A 79 9.715 34.444 5.897 1.00 0.00 O ATOM 1240 CB GLN A 79 11.112 32.708 7.804 1.00 0.00 C ATOM 1241 CG GLN A 79 10.567 33.451 8.989 1.00 0.00 C ATOM 1242 CD GLN A 79 9.593 32.613 9.775 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.618 33.136 10.284 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.842 31.302 9.851 1.00 0.00 N ATOM 0 H GLN A 79 11.599 31.778 5.589 1.00 0.00 H new ATOM 0 HA GLN A 79 9.355 31.565 7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.668 31.837 8.151 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.818 33.346 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.389 33.756 9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.073 34.362 8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.674 30.914 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.200 30.689 10.354 1.00 0.00 H new ATOM 1253 N CYS A 80 7.883 33.309 6.510 1.00 0.00 N ATOM 1254 CA CYS A 80 6.970 34.365 6.147 1.00 0.00 C ATOM 1255 C CYS A 80 6.992 35.451 7.213 1.00 0.00 C ATOM 1256 O CYS A 80 6.920 36.642 6.910 1.00 0.00 O ATOM 1257 CB CYS A 80 5.552 33.825 5.989 1.00 0.00 C ATOM 1258 SG CYS A 80 4.648 34.552 4.588 1.00 0.00 S ATOM 0 H CYS A 80 7.431 32.470 6.873 1.00 0.00 H new ATOM 0 HA CYS A 80 7.287 34.784 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.596 32.744 5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.996 34.014 6.907 1.00 0.00 H new ATOM 1263 N ALA A 81 7.092 35.026 8.469 1.00 0.00 N ATOM 1264 CA ALA A 81 7.144 35.962 9.589 1.00 0.00 C ATOM 1265 C ALA A 81 8.583 36.333 9.923 1.00 0.00 C ATOM 1266 O ALA A 81 9.070 36.062 11.022 1.00 0.00 O ATOM 1267 CB ALA A 81 6.449 35.382 10.809 1.00 0.00 C ATOM 0 H ALA A 81 7.139 34.043 8.737 1.00 0.00 H new ATOM 0 HA ALA A 81 6.618 36.869 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.500 36.096 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.405 35.178 10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.942 34.455 11.103 1.00 0.00 H new