USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 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 -71:sc= -0.371 USER MOD Set 1.2: A 18 THR OG1 : rot -64:sc= 2.48 USER MOD Set 1.3: A 20 THR OG1 : rot 88:sc= 1.29 USER MOD Set 1.4: A 67 ASN : amide:sc= -0.187 K(o=3.2,f=-6.8!) USER MOD Set 2.1: A 37 THR OG1 : rot -57:sc= 1.32 USER MOD Set 2.2: A 40 THR OG1 : rot 75:sc= 2.46 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.23! C(o=1.5!,f=-1.6!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.28 K(o=-8.2,f=-20!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -2.5 K(o=-8.2,f=-9.8) USER MOD Set 3.3: A 33 HIS : +bothHN:sc= -4.41! C(o=-8.2!,f=-13!) USER MOD Set 4.1: A 28 GLN : amide:sc= -1.36 K(o=-1.4,f=-9!) USER MOD Set 4.2: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 1 CYS N :NH3+ -140:sc= 1.1 (180deg=-0.0906) USER MOD Single : A 2 MET CE :methyl -170:sc= 0 (180deg=-0.222) USER MOD Single : A 5 ASN : amide:sc= -1.18 K(o=-1.2,f=-3!) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0426) USER MOD Single : A 9 TYR OH : rot 6:sc= -0.473 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 48 LYS NZ :NH3+ 172:sc=-0.00617 (180deg=-0.0898) USER MOD Single : A 49 ASN : amide:sc= 0.626 K(o=0.63,f=-4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.385 K(o=-0.39,f=-12!) USER MOD Single : A 64 TYR OH : rot 126:sc= -0.795! USER MOD Single : A 65 THR OG1 : rot -95:sc= -0.15! USER MOD Single : A 66 THR OG1 : rot -71:sc= 0.316 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 1.05 (180deg=0.633) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -149:sc= 1.23 USER MOD Single : A 79 GLN : amide:sc= -2.46! C(o=-2.5!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.592 30.214 2.958 1.00 0.00 N ATOM 51 CA CYS A 1 5.698 30.497 3.842 1.00 0.00 C ATOM 52 C CYS A 1 5.247 30.345 5.290 1.00 0.00 C ATOM 53 O CYS A 1 4.084 30.587 5.618 1.00 0.00 O ATOM 54 CB CYS A 1 6.246 31.903 3.581 1.00 0.00 C ATOM 55 SG CYS A 1 5.003 33.101 2.971 1.00 0.00 S ATOM 0 H1 CYS A 1 4.932 29.670 2.140 1.00 0.00 H new ATOM 0 H2 CYS A 1 3.873 29.661 3.467 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.173 31.107 2.630 1.00 0.00 H new ATOM 0 HA CYS A 1 6.502 29.786 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.680 32.287 4.504 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.054 31.835 2.853 1.00 0.00 H new ATOM 60 N MET A 2 6.155 29.920 6.148 1.00 0.00 N ATOM 61 CA MET A 2 5.818 29.677 7.552 1.00 0.00 C ATOM 62 C MET A 2 6.223 30.820 8.468 1.00 0.00 C ATOM 63 O MET A 2 7.180 31.528 8.207 1.00 0.00 O ATOM 64 CB MET A 2 6.420 28.351 8.029 1.00 0.00 C ATOM 65 CG MET A 2 7.873 28.141 7.640 1.00 0.00 C ATOM 66 SD MET A 2 9.008 28.522 8.980 1.00 0.00 S ATOM 67 CE MET A 2 10.570 28.015 8.267 1.00 0.00 C ATOM 0 H MET A 2 7.129 29.734 5.907 1.00 0.00 H new ATOM 0 HA MET A 2 4.731 29.613 7.607 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.337 28.299 9.115 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.827 27.531 7.624 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.017 27.106 7.330 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.109 28.767 6.779 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.341 28.023 9.037 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.474 27.008 7.860 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.847 28.704 7.469 1.00 0.00 H new ATOM 77 N PHE A 3 5.468 30.983 9.546 1.00 0.00 N ATOM 78 CA PHE A 3 5.669 32.067 10.484 1.00 0.00 C ATOM 79 C PHE A 3 6.277 31.502 11.747 1.00 0.00 C ATOM 80 O PHE A 3 5.577 30.890 12.552 1.00 0.00 O ATOM 81 CB PHE A 3 4.333 32.735 10.816 1.00 0.00 C ATOM 82 CG PHE A 3 3.627 33.344 9.636 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.778 32.581 8.848 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.800 34.683 9.321 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.121 33.140 7.769 1.00 0.00 C ATOM 86 CE2 PHE A 3 3.143 35.247 8.244 1.00 0.00 C ATOM 87 CZ PHE A 3 2.304 34.476 7.466 1.00 0.00 C ATOM 0 H PHE A 3 4.697 30.362 9.791 1.00 0.00 H new ATOM 0 HA PHE A 3 6.331 32.813 10.044 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.676 31.996 11.274 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.506 33.512 11.560 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.629 31.537 9.081 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.456 35.293 9.925 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.465 32.533 7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.286 36.292 8.011 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.792 34.915 6.623 1.00 0.00 H new ATOM 97 N GLY A 4 7.569 31.667 11.913 1.00 0.00 N ATOM 98 CA GLY A 4 8.223 31.036 13.005 1.00 0.00 C ATOM 99 C GLY A 4 8.350 29.564 12.747 1.00 0.00 C ATOM 100 O GLY A 4 9.100 29.151 11.855 1.00 0.00 O ATOM 0 H GLY A 4 8.170 32.227 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.210 31.474 13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.661 31.205 13.923 1.00 0.00 H new ATOM 104 N ASN A 5 7.533 28.807 13.473 1.00 0.00 N ATOM 105 CA ASN A 5 7.534 27.352 13.441 1.00 0.00 C ATOM 106 C ASN A 5 6.715 26.830 12.275 1.00 0.00 C ATOM 107 O ASN A 5 7.009 25.780 11.723 1.00 0.00 O ATOM 108 CB ASN A 5 6.929 26.797 14.731 1.00 0.00 C ATOM 109 CG ASN A 5 7.724 27.154 15.966 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.931 27.378 15.905 1.00 0.00 O ATOM 111 ND2 ASN A 5 7.047 27.188 17.099 1.00 0.00 N ATOM 0 H ASN A 5 6.840 29.197 14.111 1.00 0.00 H new ATOM 0 HA ASN A 5 8.569 27.028 13.333 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.913 27.175 14.840 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.859 25.712 14.654 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.526 27.407 17.973 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.045 26.995 17.101 1.00 0.00 H new ATOM 118 N GLY A 6 5.664 27.551 11.917 1.00 0.00 N ATOM 119 CA GLY A 6 4.785 27.073 10.876 1.00 0.00 C ATOM 120 C GLY A 6 3.447 26.633 11.424 1.00 0.00 C ATOM 121 O GLY A 6 2.730 25.852 10.797 1.00 0.00 O ATOM 0 H GLY A 6 5.407 28.450 12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.633 27.861 10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.257 26.238 10.358 1.00 0.00 H new ATOM 125 N LYS A 7 3.115 27.139 12.597 1.00 0.00 N ATOM 126 CA LYS A 7 1.822 26.888 13.214 1.00 0.00 C ATOM 127 C LYS A 7 0.711 27.516 12.372 1.00 0.00 C ATOM 128 O LYS A 7 -0.362 26.935 12.198 1.00 0.00 O ATOM 129 CB LYS A 7 1.825 27.467 14.625 1.00 0.00 C ATOM 130 CG LYS A 7 2.699 26.694 15.599 1.00 0.00 C ATOM 131 CD LYS A 7 2.753 27.367 16.963 1.00 0.00 C ATOM 132 CE LYS A 7 1.389 27.401 17.641 1.00 0.00 C ATOM 133 NZ LYS A 7 0.901 26.043 18.011 1.00 0.00 N ATOM 0 H LYS A 7 3.731 27.735 13.150 1.00 0.00 H new ATOM 0 HA LYS A 7 1.639 25.815 13.269 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.168 28.501 14.584 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.803 27.485 15.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.313 25.680 15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.708 26.609 15.195 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.461 26.837 17.600 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.126 28.385 16.850 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.448 28.019 18.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.667 27.874 16.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.030 26.128 18.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.705 25.497 17.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.628 25.554 18.572 1.00 0.00 H new ATOM 147 N GLY A 8 0.997 28.703 11.844 1.00 0.00 N ATOM 148 CA GLY A 8 0.104 29.365 10.923 1.00 0.00 C ATOM 149 C GLY A 8 0.657 29.315 9.517 1.00 0.00 C ATOM 150 O GLY A 8 0.383 30.184 8.688 1.00 0.00 O ATOM 0 H GLY A 8 1.851 29.223 12.046 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.876 28.888 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.038 30.402 11.227 1.00 0.00 H new ATOM 154 N TYR A 9 1.463 28.296 9.262 1.00 0.00 N ATOM 155 CA TYR A 9 1.993 28.046 7.933 1.00 0.00 C ATOM 156 C TYR A 9 0.871 27.571 7.020 1.00 0.00 C ATOM 157 O TYR A 9 0.418 26.437 7.124 1.00 0.00 O ATOM 158 CB TYR A 9 3.108 26.998 8.008 1.00 0.00 C ATOM 159 CG TYR A 9 3.580 26.484 6.670 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.606 27.303 5.552 1.00 0.00 C ATOM 161 CD2 TYR A 9 3.979 25.166 6.527 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.007 26.818 4.328 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.391 24.675 5.308 1.00 0.00 C ATOM 164 CZ TYR A 9 4.398 25.506 4.207 1.00 0.00 C ATOM 165 OH TYR A 9 4.777 25.024 2.977 1.00 0.00 O ATOM 0 H TYR A 9 1.766 27.623 9.966 1.00 0.00 H new ATOM 0 HA TYR A 9 2.411 28.967 7.526 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.958 27.429 8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.756 26.155 8.603 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.307 28.337 5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.967 24.512 7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.014 27.467 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.706 23.646 5.215 1.00 0.00 H new ATOM 0 HH TYR A 9 4.801 25.760 2.330 1.00 0.00 H new ATOM 175 N ARG A 10 0.399 28.450 6.155 1.00 0.00 N ATOM 176 CA ARG A 10 -0.701 28.128 5.254 1.00 0.00 C ATOM 177 C ARG A 10 -0.196 27.967 3.816 1.00 0.00 C ATOM 178 O ARG A 10 -0.863 28.366 2.861 1.00 0.00 O ATOM 179 CB ARG A 10 -1.773 29.227 5.319 1.00 0.00 C ATOM 180 CG ARG A 10 -2.911 28.985 6.320 1.00 0.00 C ATOM 181 CD ARG A 10 -2.457 28.965 7.780 1.00 0.00 C ATOM 182 NE ARG A 10 -1.859 27.691 8.165 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.985 27.136 9.371 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.835 27.631 10.266 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.275 26.060 9.670 1.00 0.00 N ATOM 0 H ARG A 10 0.760 29.399 6.055 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.141 27.182 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.287 30.170 5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.206 29.346 4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.664 29.763 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.392 28.035 6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.735 29.765 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.311 29.171 8.425 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.309 27.192 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.402 28.447 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.920 27.195 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.638 25.662 8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.365 25.629 10.590 1.00 0.00 H new ATOM 199 N GLY A 11 0.978 27.360 3.675 1.00 0.00 N ATOM 200 CA GLY A 11 1.606 27.227 2.371 1.00 0.00 C ATOM 201 C GLY A 11 1.304 25.900 1.702 1.00 0.00 C ATOM 202 O GLY A 11 0.341 25.222 2.072 1.00 0.00 O ATOM 0 H GLY A 11 1.510 26.955 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.268 28.038 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.685 27.335 2.480 1.00 0.00 H new ATOM 206 N LYS A 12 2.134 25.511 0.735 1.00 0.00 N ATOM 207 CA LYS A 12 1.853 24.348 -0.083 1.00 0.00 C ATOM 208 C LYS A 12 3.127 23.612 -0.451 1.00 0.00 C ATOM 209 O LYS A 12 3.157 22.863 -1.429 1.00 0.00 O ATOM 210 CB LYS A 12 1.121 24.788 -1.343 1.00 0.00 C ATOM 211 CG LYS A 12 1.944 25.695 -2.239 1.00 0.00 C ATOM 212 CD LYS A 12 1.043 26.453 -3.177 1.00 0.00 C ATOM 213 CE LYS A 12 0.161 25.503 -3.978 1.00 0.00 C ATOM 214 NZ LYS A 12 -0.919 26.210 -4.716 1.00 0.00 N ATOM 0 H LYS A 12 3.005 25.989 0.504 1.00 0.00 H new ATOM 0 HA LYS A 12 1.228 23.663 0.489 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.825 23.904 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.205 25.306 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.520 26.394 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.660 25.103 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.418 27.142 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.645 27.056 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.778 24.950 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.284 24.771 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.489 25.518 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.527 26.716 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.498 26.890 -5.380 1.00 0.00 H new ATOM 228 N ARG A 13 4.181 23.830 0.318 1.00 0.00 N ATOM 229 CA ARG A 13 5.397 23.070 0.125 1.00 0.00 C ATOM 230 C ARG A 13 5.113 21.629 0.507 1.00 0.00 C ATOM 231 O ARG A 13 4.416 21.374 1.481 1.00 0.00 O ATOM 232 CB ARG A 13 6.538 23.638 0.960 1.00 0.00 C ATOM 233 CG ARG A 13 6.897 25.075 0.621 1.00 0.00 C ATOM 234 CD ARG A 13 7.583 25.183 -0.729 1.00 0.00 C ATOM 235 NE ARG A 13 7.775 26.577 -1.126 1.00 0.00 N ATOM 236 CZ ARG A 13 8.826 27.029 -1.803 1.00 0.00 C ATOM 237 NH1 ARG A 13 9.826 26.213 -2.117 1.00 0.00 N ATOM 238 NH2 ARG A 13 8.878 28.303 -2.164 1.00 0.00 N ATOM 0 H ARG A 13 4.217 24.518 1.071 1.00 0.00 H new ATOM 0 HA ARG A 13 5.709 23.128 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.266 23.581 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.420 23.012 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.993 25.684 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.551 25.478 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.549 24.680 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.987 24.668 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 13 7.053 27.249 -0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.791 25.232 -1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.629 26.567 -2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.113 28.933 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.683 28.653 -2.684 1.00 0.00 H new ATOM 252 N VAL A 14 5.624 20.694 -0.266 1.00 0.00 N ATOM 253 CA VAL A 14 5.203 19.301 -0.148 1.00 0.00 C ATOM 254 C VAL A 14 6.381 18.347 -0.288 1.00 0.00 C ATOM 255 O VAL A 14 6.258 17.249 -0.831 1.00 0.00 O ATOM 256 CB VAL A 14 4.142 18.976 -1.218 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.803 19.580 -0.840 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.576 19.511 -2.575 1.00 0.00 C ATOM 0 H VAL A 14 6.329 20.865 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 14 4.775 19.167 0.845 1.00 0.00 H new ATOM 0 HB VAL A 14 4.040 17.892 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.066 19.340 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.477 19.172 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.902 20.662 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.816 19.273 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.701 20.592 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.522 19.051 -2.862 1.00 0.00 H new ATOM 268 N THR A 15 7.525 18.779 0.197 1.00 0.00 N ATOM 269 CA THR A 15 8.757 18.067 0.039 1.00 0.00 C ATOM 270 C THR A 15 9.659 18.406 1.221 1.00 0.00 C ATOM 271 O THR A 15 9.760 19.571 1.615 1.00 0.00 O ATOM 272 CB THR A 15 9.405 18.501 -1.276 1.00 0.00 C ATOM 273 OG1 THR A 15 8.433 18.514 -2.330 1.00 0.00 O ATOM 274 CG2 THR A 15 10.508 17.573 -1.646 1.00 0.00 C ATOM 0 H THR A 15 7.618 19.650 0.719 1.00 0.00 H new ATOM 0 HA THR A 15 8.591 16.990 0.012 1.00 0.00 H new ATOM 0 HB THR A 15 9.808 19.504 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.861 18.795 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.957 17.898 -2.585 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.265 17.576 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.111 16.565 -1.764 1.00 0.00 H new ATOM 282 N THR A 16 10.292 17.397 1.792 1.00 0.00 N ATOM 283 CA THR A 16 11.057 17.572 3.014 1.00 0.00 C ATOM 284 C THR A 16 12.370 18.310 2.768 1.00 0.00 C ATOM 285 O THR A 16 12.668 18.715 1.643 1.00 0.00 O ATOM 286 CB THR A 16 11.372 16.214 3.657 1.00 0.00 C ATOM 287 OG1 THR A 16 12.168 15.432 2.757 1.00 0.00 O ATOM 288 CG2 THR A 16 10.097 15.461 3.999 1.00 0.00 C ATOM 0 H THR A 16 10.291 16.444 1.428 1.00 0.00 H new ATOM 0 HA THR A 16 10.439 18.170 3.684 1.00 0.00 H new ATOM 0 HB THR A 16 11.922 16.390 4.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.618 15.147 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.351 14.503 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.504 16.049 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.520 15.290 3.090 1.00 0.00 H new ATOM 296 N VAL A 17 13.163 18.453 3.822 1.00 0.00 N ATOM 297 CA VAL A 17 14.472 19.080 3.723 1.00 0.00 C ATOM 298 C VAL A 17 15.408 18.255 2.856 1.00 0.00 C ATOM 299 O VAL A 17 16.416 18.748 2.350 1.00 0.00 O ATOM 300 CB VAL A 17 15.130 19.285 5.096 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.457 20.417 5.858 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.106 17.998 5.910 1.00 0.00 C ATOM 0 H VAL A 17 12.919 18.140 4.762 1.00 0.00 H new ATOM 0 HA VAL A 17 14.304 20.056 3.269 1.00 0.00 H new ATOM 0 HB VAL A 17 16.171 19.560 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.941 20.542 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.543 21.342 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.404 20.180 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.578 18.170 6.877 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.074 17.682 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.649 17.219 5.375 1.00 0.00 H new ATOM 312 N THR A 18 15.050 16.999 2.677 1.00 0.00 N ATOM 313 CA THR A 18 15.834 16.089 1.872 1.00 0.00 C ATOM 314 C THR A 18 15.306 16.096 0.455 1.00 0.00 C ATOM 315 O THR A 18 15.956 15.621 -0.479 1.00 0.00 O ATOM 316 CB THR A 18 15.740 14.658 2.424 1.00 0.00 C ATOM 317 OG1 THR A 18 14.423 14.133 2.188 1.00 0.00 O ATOM 318 CG2 THR A 18 16.022 14.644 3.916 1.00 0.00 C ATOM 0 H THR A 18 14.212 16.584 3.084 1.00 0.00 H new ATOM 0 HA THR A 18 16.874 16.414 1.895 1.00 0.00 H new ATOM 0 HB THR A 18 16.481 14.041 1.916 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.765 14.664 2.684 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.951 13.623 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.025 15.029 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.293 15.270 4.430 1.00 0.00 H new ATOM 326 N GLY A 19 14.118 16.658 0.311 1.00 0.00 N ATOM 327 CA GLY A 19 13.443 16.630 -0.953 1.00 0.00 C ATOM 328 C GLY A 19 12.636 15.366 -1.119 1.00 0.00 C ATOM 329 O GLY A 19 12.239 15.017 -2.232 1.00 0.00 O ATOM 0 H GLY A 19 13.611 17.135 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.786 17.496 -1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.173 16.706 -1.759 1.00 0.00 H new ATOM 333 N THR A 20 12.395 14.667 -0.016 1.00 0.00 N ATOM 334 CA THR A 20 11.443 13.575 -0.033 1.00 0.00 C ATOM 335 C THR A 20 10.022 14.133 -0.018 1.00 0.00 C ATOM 336 O THR A 20 9.666 14.888 0.883 1.00 0.00 O ATOM 337 CB THR A 20 11.639 12.643 1.171 1.00 0.00 C ATOM 338 OG1 THR A 20 12.974 12.121 1.168 1.00 0.00 O ATOM 339 CG2 THR A 20 10.632 11.505 1.134 1.00 0.00 C ATOM 0 H THR A 20 12.840 14.837 0.886 1.00 0.00 H new ATOM 0 HA THR A 20 11.608 12.997 -0.942 1.00 0.00 H new ATOM 0 HB THR A 20 11.480 13.214 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.568 12.739 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.786 10.855 1.995 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.621 11.912 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.765 10.931 0.217 1.00 0.00 H new ATOM 347 N PRO A 21 9.207 13.815 -1.033 1.00 0.00 N ATOM 348 CA PRO A 21 7.798 14.219 -1.076 1.00 0.00 C ATOM 349 C PRO A 21 7.046 13.905 0.204 1.00 0.00 C ATOM 350 O PRO A 21 7.045 12.758 0.675 1.00 0.00 O ATOM 351 CB PRO A 21 7.239 13.363 -2.193 1.00 0.00 C ATOM 352 CG PRO A 21 8.376 13.199 -3.126 1.00 0.00 C ATOM 353 CD PRO A 21 9.592 13.065 -2.247 1.00 0.00 C ATOM 0 HA PRO A 21 7.699 15.296 -1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.887 12.401 -1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.391 13.846 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.246 12.318 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.465 14.056 -3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.816 12.022 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.480 13.487 -2.718 1.00 0.00 H new ATOM 361 N CYS A 22 6.412 14.917 0.763 1.00 0.00 N ATOM 362 CA CYS A 22 5.543 14.709 1.909 1.00 0.00 C ATOM 363 C CYS A 22 4.345 13.852 1.527 1.00 0.00 C ATOM 364 O CYS A 22 3.776 13.989 0.443 1.00 0.00 O ATOM 365 CB CYS A 22 5.075 16.043 2.482 1.00 0.00 C ATOM 366 SG CYS A 22 6.444 17.099 3.035 1.00 0.00 S ATOM 0 H CYS A 22 6.480 15.884 0.447 1.00 0.00 H new ATOM 0 HA CYS A 22 6.115 14.185 2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.497 16.574 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.406 15.856 3.322 1.00 0.00 H new ATOM 371 N GLN A 23 4.016 12.937 2.418 1.00 0.00 N ATOM 372 CA GLN A 23 2.845 12.092 2.297 1.00 0.00 C ATOM 373 C GLN A 23 1.608 12.911 2.550 1.00 0.00 C ATOM 374 O GLN A 23 1.678 14.005 3.113 1.00 0.00 O ATOM 375 CB GLN A 23 2.894 11.000 3.352 1.00 0.00 C ATOM 376 CG GLN A 23 1.895 9.875 3.164 1.00 0.00 C ATOM 377 CD GLN A 23 2.017 8.866 4.275 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.830 7.969 4.188 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.160 8.955 5.282 1.00 0.00 N ATOM 0 H GLN A 23 4.564 12.757 3.259 1.00 0.00 H new ATOM 0 HA GLN A 23 2.826 11.660 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.898 10.575 3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.727 11.453 4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.883 10.280 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.064 9.388 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.493 9.725 5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.168 8.253 6.022 1.00 0.00 H new ATOM 388 N ASP A 24 0.479 12.357 2.193 1.00 0.00 N ATOM 389 CA ASP A 24 -0.768 12.999 2.476 1.00 0.00 C ATOM 390 C ASP A 24 -1.049 12.788 3.939 1.00 0.00 C ATOM 391 O ASP A 24 -1.008 11.657 4.432 1.00 0.00 O ATOM 392 CB ASP A 24 -1.911 12.428 1.625 1.00 0.00 C ATOM 393 CG ASP A 24 -1.810 12.796 0.155 1.00 0.00 C ATOM 394 OD1 ASP A 24 -2.174 13.931 -0.206 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.390 11.936 -0.652 1.00 0.00 O ATOM 0 H ASP A 24 0.402 11.464 1.707 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.702 14.060 2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.918 11.342 1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.862 12.789 2.018 1.00 0.00 H new ATOM 400 N TRP A 25 -1.277 13.873 4.647 1.00 0.00 N ATOM 401 CA TRP A 25 -1.686 13.804 6.037 1.00 0.00 C ATOM 402 C TRP A 25 -2.928 12.942 6.128 1.00 0.00 C ATOM 403 O TRP A 25 -3.191 12.286 7.132 1.00 0.00 O ATOM 404 CB TRP A 25 -1.983 15.198 6.567 1.00 0.00 C ATOM 405 CG TRP A 25 -0.905 16.183 6.258 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.785 16.929 5.132 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.205 16.529 7.087 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.334 17.707 5.208 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.954 17.489 6.404 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.629 16.120 8.342 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.111 18.050 6.937 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.773 16.672 8.881 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.502 17.631 8.180 1.00 0.00 C ATOM 0 H TRP A 25 -1.186 14.821 4.281 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.885 13.372 6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.922 15.550 6.140 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.123 15.148 7.647 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.472 16.910 4.299 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.656 18.350 4.485 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.070 15.377 8.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.679 18.788 6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.108 16.357 9.858 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.392 18.051 8.626 1.00 0.00 H new ATOM 424 N ALA A 26 -3.682 12.963 5.045 1.00 0.00 N ATOM 425 CA ALA A 26 -4.866 12.140 4.902 1.00 0.00 C ATOM 426 C ALA A 26 -4.536 10.670 4.610 1.00 0.00 C ATOM 427 O ALA A 26 -5.347 9.793 4.906 1.00 0.00 O ATOM 428 CB ALA A 26 -5.755 12.699 3.804 1.00 0.00 C ATOM 0 H ALA A 26 -3.489 13.554 4.237 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.390 12.166 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.643 12.075 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.053 13.716 4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.207 12.707 2.862 1.00 0.00 H new ATOM 434 N ALA A 27 -3.354 10.371 4.054 1.00 0.00 N ATOM 435 CA ALA A 27 -3.073 9.024 3.630 1.00 0.00 C ATOM 436 C ALA A 27 -2.290 8.334 4.710 1.00 0.00 C ATOM 437 O ALA A 27 -1.543 8.967 5.422 1.00 0.00 O ATOM 438 CB ALA A 27 -2.301 9.021 2.319 1.00 0.00 C ATOM 0 H ALA A 27 -2.601 11.040 3.896 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.009 8.492 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.100 7.993 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.891 9.516 1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.358 9.552 2.451 1.00 0.00 H new ATOM 444 N GLN A 28 -2.457 7.047 4.819 1.00 0.00 N ATOM 445 CA GLN A 28 -1.773 6.257 5.811 1.00 0.00 C ATOM 446 C GLN A 28 -0.699 5.530 5.063 1.00 0.00 C ATOM 447 O GLN A 28 -0.344 4.394 5.370 1.00 0.00 O ATOM 448 CB GLN A 28 -2.737 5.245 6.435 1.00 0.00 C ATOM 449 CG GLN A 28 -3.958 5.866 7.078 1.00 0.00 C ATOM 450 CD GLN A 28 -3.579 6.792 8.200 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.426 6.364 9.336 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.411 8.068 7.894 1.00 0.00 N ATOM 0 H GLN A 28 -3.078 6.508 4.216 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.374 6.874 6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.062 4.547 5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.201 4.664 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.526 6.416 6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.610 5.080 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.548 8.385 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.144 8.735 8.618 1.00 0.00 H new ATOM 461 N GLU A 29 -0.217 6.197 4.037 1.00 0.00 N ATOM 462 CA GLU A 29 0.388 5.499 2.952 1.00 0.00 C ATOM 463 C GLU A 29 1.520 6.255 2.276 1.00 0.00 C ATOM 464 O GLU A 29 1.318 7.348 1.760 1.00 0.00 O ATOM 465 CB GLU A 29 -0.725 5.211 1.973 1.00 0.00 C ATOM 466 CG GLU A 29 -1.630 4.067 2.389 1.00 0.00 C ATOM 467 CD GLU A 29 -2.586 3.653 1.295 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.693 4.226 1.218 1.00 0.00 O ATOM 469 OE2 GLU A 29 -2.234 2.759 0.500 1.00 0.00 O ATOM 0 H GLU A 29 -0.237 7.212 3.942 1.00 0.00 H new ATOM 0 HA GLU A 29 0.862 4.593 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.327 6.111 1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.290 4.981 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.019 3.211 2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.199 4.361 3.271 1.00 0.00 H new ATOM 476 N PRO A 30 2.726 5.658 2.233 1.00 0.00 N ATOM 477 CA PRO A 30 2.986 4.328 2.788 1.00 0.00 C ATOM 478 C PRO A 30 3.357 4.368 4.271 1.00 0.00 C ATOM 479 O PRO A 30 4.096 3.520 4.764 1.00 0.00 O ATOM 480 CB PRO A 30 4.168 3.850 1.951 1.00 0.00 C ATOM 481 CG PRO A 30 4.929 5.093 1.623 1.00 0.00 C ATOM 482 CD PRO A 30 3.931 6.228 1.604 1.00 0.00 C ATOM 0 HA PRO A 30 2.110 3.681 2.744 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.785 3.143 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.833 3.341 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.707 5.276 2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.425 4.999 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.299 7.092 2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.729 6.564 0.587 1.00 0.00 H new ATOM 490 N HIS A 31 2.854 5.372 4.968 1.00 0.00 N ATOM 491 CA HIS A 31 3.088 5.527 6.390 1.00 0.00 C ATOM 492 C HIS A 31 1.758 5.716 7.071 1.00 0.00 C ATOM 493 O HIS A 31 1.118 6.771 6.948 1.00 0.00 O ATOM 494 CB HIS A 31 4.019 6.713 6.679 1.00 0.00 C ATOM 495 CG HIS A 31 5.389 6.524 6.118 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.650 6.594 4.774 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.569 6.238 6.716 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.926 6.350 4.562 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.510 6.132 5.723 1.00 0.00 N ATOM 0 H HIS A 31 2.271 6.103 4.561 1.00 0.00 H new ATOM 0 HA HIS A 31 3.582 4.635 6.774 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.583 7.621 6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.090 6.859 7.757 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.738 6.116 7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.413 6.332 3.598 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.498 5.920 5.861 1.00 0.00 H new ATOM 508 N ARG A 32 1.301 4.676 7.729 1.00 0.00 N ATOM 509 CA ARG A 32 0.007 4.724 8.353 1.00 0.00 C ATOM 510 C ARG A 32 0.097 5.599 9.600 1.00 0.00 C ATOM 511 O ARG A 32 0.898 5.344 10.496 1.00 0.00 O ATOM 512 CB ARG A 32 -0.528 3.315 8.692 1.00 0.00 C ATOM 513 CG ARG A 32 0.162 2.609 9.860 1.00 0.00 C ATOM 514 CD ARG A 32 1.525 2.049 9.485 1.00 0.00 C ATOM 515 NE ARG A 32 2.176 1.407 10.625 1.00 0.00 N ATOM 516 CZ ARG A 32 3.035 0.392 10.529 1.00 0.00 C ATOM 517 NH1 ARG A 32 3.328 -0.133 9.346 1.00 0.00 N ATOM 518 NH2 ARG A 32 3.590 -0.104 11.628 1.00 0.00 N ATOM 0 H ARG A 32 1.803 3.796 7.844 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.706 5.157 7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.592 3.394 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.435 2.688 7.806 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.277 3.310 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.474 1.798 10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.412 1.327 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.158 2.853 9.109 1.00 0.00 H new ATOM 0 HE ARG A 32 1.958 1.759 11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.895 0.240 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.986 -0.909 9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.358 0.291 12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.248 -0.881 11.561 1.00 0.00 H new ATOM 532 N HIS A 33 -0.695 6.649 9.638 1.00 0.00 N ATOM 533 CA HIS A 33 -0.617 7.603 10.731 1.00 0.00 C ATOM 534 C HIS A 33 -1.986 8.214 10.993 1.00 0.00 C ATOM 535 O HIS A 33 -2.424 9.149 10.326 1.00 0.00 O ATOM 536 CB HIS A 33 0.418 8.701 10.434 1.00 0.00 C ATOM 537 CG HIS A 33 0.034 9.566 9.281 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.185 10.906 9.387 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.246 9.245 8.021 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.585 11.389 8.238 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.625 10.401 7.380 1.00 0.00 N ATOM 0 H HIS A 33 -1.397 6.866 8.931 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.293 7.072 11.626 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.546 9.322 11.321 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.383 8.237 10.228 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.056 11.454 10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.187 8.260 7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.837 12.419 8.034 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.893 10.476 6.399 1.00 0.00 H new ATOM 550 N SER A 34 -2.674 7.648 11.942 1.00 0.00 N ATOM 551 CA SER A 34 -3.958 8.183 12.377 1.00 0.00 C ATOM 552 C SER A 34 -3.745 9.401 13.286 1.00 0.00 C ATOM 553 O SER A 34 -4.537 9.672 14.188 1.00 0.00 O ATOM 554 CB SER A 34 -4.750 7.093 13.099 1.00 0.00 C ATOM 555 OG SER A 34 -4.820 5.918 12.302 1.00 0.00 O ATOM 0 H SER A 34 -2.375 6.810 12.440 1.00 0.00 H new ATOM 0 HA SER A 34 -4.528 8.508 11.507 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.277 6.864 14.054 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.756 7.451 13.319 1.00 0.00 H new ATOM 0 HG SER A 34 -5.329 5.229 12.779 1.00 0.00 H new ATOM 561 N ILE A 35 -2.672 10.137 13.011 1.00 0.00 N ATOM 562 CA ILE A 35 -2.257 11.264 13.805 1.00 0.00 C ATOM 563 C ILE A 35 -1.745 12.328 12.863 1.00 0.00 C ATOM 564 O ILE A 35 -1.185 12.005 11.807 1.00 0.00 O ATOM 565 CB ILE A 35 -1.151 10.896 14.819 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.041 10.272 14.091 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.686 9.952 15.890 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.206 9.937 14.996 1.00 0.00 C ATOM 0 H ILE A 35 -2.063 9.955 12.213 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.111 11.617 14.383 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.819 11.808 15.316 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.289 9.363 13.588 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.381 10.959 13.317 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.888 9.708 16.591 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.504 10.435 16.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.049 9.037 15.421 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.011 9.499 14.406 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.564 10.846 15.480 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.884 9.225 15.755 1.00 0.00 H new ATOM 580 N PHE A 36 -1.933 13.575 13.245 1.00 0.00 N ATOM 581 CA PHE A 36 -1.631 14.700 12.397 1.00 0.00 C ATOM 582 C PHE A 36 -2.213 14.512 11.001 1.00 0.00 C ATOM 583 O PHE A 36 -1.527 14.621 9.986 1.00 0.00 O ATOM 584 CB PHE A 36 -0.131 14.964 12.368 1.00 0.00 C ATOM 585 CG PHE A 36 0.472 15.069 13.744 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.296 16.210 14.506 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.217 14.027 14.273 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.849 16.312 15.767 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.773 14.122 15.533 1.00 0.00 C ATOM 590 CZ PHE A 36 1.589 15.268 16.281 1.00 0.00 C ATOM 0 H PHE A 36 -2.302 13.833 14.160 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.108 15.586 12.817 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.364 14.162 11.820 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.060 15.888 11.822 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.282 17.032 14.109 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.365 13.129 13.692 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.702 17.209 16.350 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.351 13.302 15.933 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.024 15.347 17.267 1.00 0.00 H new ATOM 600 N THR A 37 -3.489 14.189 10.990 1.00 0.00 N ATOM 601 CA THR A 37 -4.274 14.134 9.779 1.00 0.00 C ATOM 602 C THR A 37 -5.074 15.424 9.643 1.00 0.00 C ATOM 603 O THR A 37 -5.063 16.262 10.551 1.00 0.00 O ATOM 604 CB THR A 37 -5.272 12.957 9.816 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.295 13.225 10.788 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.570 11.651 10.158 1.00 0.00 C ATOM 0 H THR A 37 -4.015 13.955 11.832 1.00 0.00 H new ATOM 0 HA THR A 37 -3.592 14.001 8.939 1.00 0.00 H new ATOM 0 HB THR A 37 -5.718 12.855 8.827 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.882 13.378 11.664 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.298 10.840 10.177 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.810 11.439 9.406 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.098 11.737 11.137 1.00 0.00 H new ATOM 614 N PRO A 38 -5.789 15.606 8.531 1.00 0.00 N ATOM 615 CA PRO A 38 -6.717 16.723 8.381 1.00 0.00 C ATOM 616 C PRO A 38 -7.862 16.664 9.393 1.00 0.00 C ATOM 617 O PRO A 38 -8.507 17.675 9.672 1.00 0.00 O ATOM 618 CB PRO A 38 -7.277 16.544 6.970 1.00 0.00 C ATOM 619 CG PRO A 38 -6.301 15.667 6.266 1.00 0.00 C ATOM 620 CD PRO A 38 -5.726 14.774 7.320 1.00 0.00 C ATOM 0 HA PRO A 38 -6.219 17.679 8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.267 16.089 6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.380 17.504 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.790 15.086 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.521 16.257 5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.304 13.856 7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.703 14.480 7.085 1.00 0.00 H new ATOM 628 N GLU A 39 -8.104 15.480 9.949 1.00 0.00 N ATOM 629 CA GLU A 39 -9.268 15.276 10.796 1.00 0.00 C ATOM 630 C GLU A 39 -8.896 15.345 12.267 1.00 0.00 C ATOM 631 O GLU A 39 -9.727 15.670 13.112 1.00 0.00 O ATOM 632 CB GLU A 39 -9.928 13.932 10.483 1.00 0.00 C ATOM 633 CG GLU A 39 -10.384 13.801 9.039 1.00 0.00 C ATOM 634 CD GLU A 39 -11.286 14.940 8.611 1.00 0.00 C ATOM 635 OE1 GLU A 39 -12.326 15.159 9.266 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.962 15.619 7.611 1.00 0.00 O ATOM 0 H GLU A 39 -7.514 14.657 9.828 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.977 16.077 10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.225 13.130 10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.787 13.796 11.140 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.511 13.768 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.912 12.856 8.912 1.00 0.00 H new ATOM 643 N THR A 40 -7.647 15.048 12.575 1.00 0.00 N ATOM 644 CA THR A 40 -7.194 15.066 13.951 1.00 0.00 C ATOM 645 C THR A 40 -6.624 16.430 14.305 1.00 0.00 C ATOM 646 O THR A 40 -6.458 16.759 15.480 1.00 0.00 O ATOM 647 CB THR A 40 -6.137 13.977 14.206 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.084 14.088 13.243 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.758 12.591 14.128 1.00 0.00 C ATOM 0 H THR A 40 -6.932 14.793 11.894 1.00 0.00 H new ATOM 0 HA THR A 40 -8.056 14.862 14.586 1.00 0.00 H new ATOM 0 HB THR A 40 -5.732 14.119 15.208 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.514 14.852 13.468 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.992 11.838 14.312 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.542 12.501 14.879 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.186 12.439 13.137 1.00 0.00 H new ATOM 657 N ASN A 41 -6.332 17.230 13.283 1.00 0.00 N ATOM 658 CA ASN A 41 -5.746 18.547 13.498 1.00 0.00 C ATOM 659 C ASN A 41 -6.346 19.595 12.556 1.00 0.00 C ATOM 660 O ASN A 41 -5.606 20.324 11.899 1.00 0.00 O ATOM 661 CB ASN A 41 -4.230 18.484 13.288 1.00 0.00 C ATOM 662 CG ASN A 41 -3.530 17.570 14.268 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.442 16.360 14.063 1.00 0.00 O ATOM 664 ND2 ASN A 41 -3.014 18.151 15.333 1.00 0.00 N ATOM 0 H ASN A 41 -6.491 16.990 12.304 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.969 18.844 14.523 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.024 18.144 12.273 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.815 19.488 13.378 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.517 17.593 16.028 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.111 19.158 15.462 1.00 0.00 H new ATOM 671 N PRO A 42 -7.688 19.728 12.499 1.00 0.00 N ATOM 672 CA PRO A 42 -8.359 20.659 11.575 1.00 0.00 C ATOM 673 C PRO A 42 -8.186 22.134 11.957 1.00 0.00 C ATOM 674 O PRO A 42 -9.069 22.957 11.712 1.00 0.00 O ATOM 675 CB PRO A 42 -9.843 20.267 11.662 1.00 0.00 C ATOM 676 CG PRO A 42 -9.886 18.998 12.445 1.00 0.00 C ATOM 677 CD PRO A 42 -8.663 18.993 13.312 1.00 0.00 C ATOM 0 HA PRO A 42 -7.933 20.579 10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.425 21.048 12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.269 20.127 10.668 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.791 18.946 13.050 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.895 18.133 11.782 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.843 19.483 14.269 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.326 17.980 13.531 1.00 0.00 H new ATOM 685 N ARG A 43 -7.052 22.466 12.561 1.00 0.00 N ATOM 686 CA ARG A 43 -6.750 23.842 12.916 1.00 0.00 C ATOM 687 C ARG A 43 -5.365 24.249 12.430 1.00 0.00 C ATOM 688 O ARG A 43 -5.010 25.427 12.463 1.00 0.00 O ATOM 689 CB ARG A 43 -6.857 24.052 14.426 1.00 0.00 C ATOM 690 CG ARG A 43 -5.942 23.163 15.258 1.00 0.00 C ATOM 691 CD ARG A 43 -6.627 21.860 15.642 1.00 0.00 C ATOM 692 NE ARG A 43 -7.904 22.092 16.316 1.00 0.00 N ATOM 693 CZ ARG A 43 -8.519 21.207 17.096 1.00 0.00 C ATOM 694 NH1 ARG A 43 -7.976 20.021 17.333 1.00 0.00 N ATOM 695 NH2 ARG A 43 -9.682 21.522 17.647 1.00 0.00 N ATOM 0 H ARG A 43 -6.325 21.797 12.815 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.486 24.475 12.421 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.631 25.094 14.651 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.888 23.876 14.732 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.034 22.946 14.695 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.638 23.695 16.160 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.793 21.260 14.747 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.971 21.284 16.295 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.355 22.996 16.178 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.077 19.779 16.916 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.457 19.351 17.933 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.098 22.437 17.472 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.161 20.850 18.246 1.00 0.00 H new ATOM 709 N ALA A 44 -4.580 23.278 11.974 1.00 0.00 N ATOM 710 CA ALA A 44 -3.251 23.570 11.469 1.00 0.00 C ATOM 711 C ALA A 44 -3.237 23.472 9.954 1.00 0.00 C ATOM 712 O ALA A 44 -2.181 23.492 9.326 1.00 0.00 O ATOM 713 CB ALA A 44 -2.214 22.645 12.090 1.00 0.00 C ATOM 0 H ALA A 44 -4.841 22.292 11.945 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.988 24.589 11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.228 22.886 11.694 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.212 22.775 13.172 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.459 21.610 11.849 1.00 0.00 H new ATOM 719 N GLY A 45 -4.429 23.353 9.384 1.00 0.00 N ATOM 720 CA GLY A 45 -4.592 23.397 7.943 1.00 0.00 C ATOM 721 C GLY A 45 -3.902 22.255 7.233 1.00 0.00 C ATOM 722 O GLY A 45 -3.258 22.456 6.205 1.00 0.00 O ATOM 0 H GLY A 45 -5.298 23.225 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.655 23.377 7.703 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.198 24.341 7.567 1.00 0.00 H new ATOM 726 N LEU A 46 -4.035 21.056 7.773 1.00 0.00 N ATOM 727 CA LEU A 46 -3.419 19.890 7.169 1.00 0.00 C ATOM 728 C LEU A 46 -4.279 19.385 6.035 1.00 0.00 C ATOM 729 O LEU A 46 -5.245 18.654 6.246 1.00 0.00 O ATOM 730 CB LEU A 46 -3.196 18.774 8.188 1.00 0.00 C ATOM 731 CG LEU A 46 -2.298 19.148 9.370 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.092 19.829 10.456 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.595 17.925 9.920 1.00 0.00 C ATOM 0 H LEU A 46 -4.562 20.866 8.625 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.443 20.190 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.165 18.455 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.759 17.917 7.676 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.543 19.846 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.431 20.084 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.545 20.738 10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.874 19.158 10.810 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.963 18.215 10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.336 17.201 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.980 17.477 9.140 1.00 0.00 H new ATOM 745 N GLU A 47 -3.955 19.819 4.843 1.00 0.00 N ATOM 746 CA GLU A 47 -4.628 19.362 3.661 1.00 0.00 C ATOM 747 C GLU A 47 -3.634 18.731 2.708 1.00 0.00 C ATOM 748 O GLU A 47 -2.453 19.088 2.708 1.00 0.00 O ATOM 749 CB GLU A 47 -5.360 20.521 2.996 1.00 0.00 C ATOM 750 CG GLU A 47 -4.611 21.841 3.034 1.00 0.00 C ATOM 751 CD GLU A 47 -5.463 22.993 2.551 1.00 0.00 C ATOM 752 OE1 GLU A 47 -6.020 22.901 1.435 1.00 0.00 O ATOM 753 OE2 GLU A 47 -5.603 23.988 3.295 1.00 0.00 O ATOM 0 H GLU A 47 -3.216 20.500 4.668 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.363 18.606 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.559 20.260 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.326 20.652 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.278 22.039 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.717 21.768 2.415 1.00 0.00 H new ATOM 760 N LYS A 48 -4.126 17.799 1.901 1.00 0.00 N ATOM 761 CA LYS A 48 -3.311 17.070 0.950 1.00 0.00 C ATOM 762 C LYS A 48 -2.020 16.562 1.584 1.00 0.00 C ATOM 763 O LYS A 48 -2.051 15.718 2.482 1.00 0.00 O ATOM 764 CB LYS A 48 -3.012 17.949 -0.261 1.00 0.00 C ATOM 765 CG LYS A 48 -4.210 18.179 -1.175 1.00 0.00 C ATOM 766 CD LYS A 48 -5.334 18.948 -0.495 1.00 0.00 C ATOM 767 CE LYS A 48 -6.471 19.251 -1.456 1.00 0.00 C ATOM 768 NZ LYS A 48 -7.092 18.017 -2.011 1.00 0.00 N ATOM 0 H LYS A 48 -5.110 17.529 1.892 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.874 16.195 0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.643 18.914 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.210 17.491 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.886 18.726 -2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.590 17.216 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.714 18.369 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.943 19.881 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.232 19.837 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.097 19.865 -2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.944 18.270 -2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.414 17.539 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.353 17.379 -1.232 1.00 0.00 H new ATOM 782 N ASN A 49 -0.893 17.104 1.142 1.00 0.00 N ATOM 783 CA ASN A 49 0.400 16.720 1.670 1.00 0.00 C ATOM 784 C ASN A 49 1.259 17.953 1.898 1.00 0.00 C ATOM 785 O ASN A 49 2.478 17.862 2.024 1.00 0.00 O ATOM 786 CB ASN A 49 1.101 15.739 0.723 1.00 0.00 C ATOM 787 CG ASN A 49 1.494 16.342 -0.617 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.821 17.231 -1.140 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.592 15.854 -1.183 1.00 0.00 N ATOM 0 H ASN A 49 -0.854 17.816 0.413 1.00 0.00 H new ATOM 0 HA ASN A 49 0.251 16.218 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.996 15.355 1.213 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.443 14.888 0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.905 16.216 -2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.122 15.117 -0.717 1.00 0.00 H new ATOM 796 N TYR A 50 0.608 19.110 1.964 1.00 0.00 N ATOM 797 CA TYR A 50 1.321 20.371 2.176 1.00 0.00 C ATOM 798 C TYR A 50 1.912 20.399 3.577 1.00 0.00 C ATOM 799 O TYR A 50 1.196 20.180 4.549 1.00 0.00 O ATOM 800 CB TYR A 50 0.394 21.578 2.023 1.00 0.00 C ATOM 801 CG TYR A 50 -0.540 21.528 0.837 1.00 0.00 C ATOM 802 CD1 TYR A 50 -0.066 21.568 -0.469 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.907 21.456 1.033 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.936 21.535 -1.544 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.781 21.427 -0.030 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.296 21.465 -1.314 1.00 0.00 C ATOM 807 OH TYR A 50 -3.177 21.446 -2.369 1.00 0.00 O ATOM 0 H TYR A 50 -0.404 19.204 1.875 1.00 0.00 H new ATOM 0 HA TYR A 50 2.106 20.431 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.202 21.675 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.005 22.477 1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.998 21.626 -0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.296 21.422 2.040 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.555 21.564 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.845 21.374 0.145 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.094 21.394 -2.028 1.00 0.00 H new ATOM 817 N CYS A 51 3.205 20.692 3.674 1.00 0.00 N ATOM 818 CA CYS A 51 3.909 20.702 4.946 1.00 0.00 C ATOM 819 C CYS A 51 3.178 21.545 5.972 1.00 0.00 C ATOM 820 O CYS A 51 2.551 22.547 5.628 1.00 0.00 O ATOM 821 CB CYS A 51 5.316 21.243 4.751 1.00 0.00 C ATOM 822 SG CYS A 51 6.316 20.273 3.588 1.00 0.00 S ATOM 0 H CYS A 51 3.791 20.928 2.873 1.00 0.00 H new ATOM 0 HA CYS A 51 3.955 19.678 5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.254 22.271 4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.822 21.271 5.716 1.00 0.00 H new ATOM 827 N ARG A 52 3.270 21.144 7.228 1.00 0.00 N ATOM 828 CA ARG A 52 2.552 21.808 8.305 1.00 0.00 C ATOM 829 C ARG A 52 3.296 21.666 9.608 1.00 0.00 C ATOM 830 O ARG A 52 4.248 20.901 9.702 1.00 0.00 O ATOM 831 CB ARG A 52 1.141 21.233 8.469 1.00 0.00 C ATOM 832 CG ARG A 52 0.156 21.779 7.464 1.00 0.00 C ATOM 833 CD ARG A 52 0.303 23.283 7.357 1.00 0.00 C ATOM 834 NE ARG A 52 -0.778 23.881 6.606 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.703 24.213 5.311 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.413 23.987 4.625 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.748 24.756 4.695 1.00 0.00 N ATOM 0 H ARG A 52 3.840 20.354 7.530 1.00 0.00 H new ATOM 0 HA ARG A 52 2.476 22.863 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.184 20.148 8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.782 21.450 9.475 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.325 21.319 6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.861 21.525 7.764 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.333 23.716 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.253 23.521 6.878 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.655 24.062 7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.217 23.559 5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.466 24.241 3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.613 24.922 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.685 25.007 3.708 1.00 0.00 H new ATOM 851 N ASN A 53 2.872 22.406 10.615 1.00 0.00 N ATOM 852 CA ASN A 53 3.436 22.216 11.933 1.00 0.00 C ATOM 853 C ASN A 53 2.340 22.168 12.990 1.00 0.00 C ATOM 854 O ASN A 53 2.113 23.148 13.697 1.00 0.00 O ATOM 855 CB ASN A 53 4.440 23.317 12.270 1.00 0.00 C ATOM 856 CG ASN A 53 5.497 22.814 13.222 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.308 21.789 13.877 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.596 23.544 13.333 1.00 0.00 N ATOM 0 H ASN A 53 2.155 23.128 10.548 1.00 0.00 H new ATOM 0 HA ASN A 53 3.962 21.261 11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.911 23.676 11.355 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.919 24.165 12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.331 23.264 13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.708 24.386 12.769 1.00 0.00 H new ATOM 865 N PRO A 54 1.639 21.023 13.113 1.00 0.00 N ATOM 866 CA PRO A 54 0.596 20.849 14.122 1.00 0.00 C ATOM 867 C PRO A 54 1.152 20.906 15.536 1.00 0.00 C ATOM 868 O PRO A 54 0.452 21.279 16.476 1.00 0.00 O ATOM 869 CB PRO A 54 0.013 19.462 13.843 1.00 0.00 C ATOM 870 CG PRO A 54 0.495 19.084 12.486 1.00 0.00 C ATOM 871 CD PRO A 54 1.788 19.826 12.273 1.00 0.00 C ATOM 0 HA PRO A 54 -0.146 21.645 14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.344 18.741 14.590 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.076 19.481 13.880 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.649 18.007 12.414 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.237 19.353 11.725 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.648 19.228 12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.933 20.087 11.225 1.00 0.00 H new ATOM 879 N ASP A 55 2.421 20.549 15.669 1.00 0.00 N ATOM 880 CA ASP A 55 3.081 20.546 16.964 1.00 0.00 C ATOM 881 C ASP A 55 3.710 21.893 17.216 1.00 0.00 C ATOM 882 O ASP A 55 4.006 22.264 18.354 1.00 0.00 O ATOM 883 CB ASP A 55 4.178 19.487 17.010 1.00 0.00 C ATOM 884 CG ASP A 55 4.059 18.588 18.222 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.175 17.710 18.229 1.00 0.00 O ATOM 886 OD2 ASP A 55 4.842 18.766 19.179 1.00 0.00 O ATOM 0 H ASP A 55 3.015 20.257 14.893 1.00 0.00 H new ATOM 0 HA ASP A 55 2.333 20.325 17.725 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.133 18.881 16.105 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.152 19.976 17.018 1.00 0.00 H new ATOM 891 N GLY A 56 3.910 22.614 16.124 1.00 0.00 N ATOM 892 CA GLY A 56 4.683 23.821 16.147 1.00 0.00 C ATOM 893 C GLY A 56 6.070 23.553 16.659 1.00 0.00 C ATOM 894 O GLY A 56 6.568 24.267 17.526 1.00 0.00 O ATOM 0 H GLY A 56 3.538 22.371 15.206 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.736 24.244 15.144 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.193 24.561 16.780 1.00 0.00 H new ATOM 898 N ASP A 57 6.664 22.474 16.147 1.00 0.00 N ATOM 899 CA ASP A 57 8.059 22.164 16.404 1.00 0.00 C ATOM 900 C ASP A 57 8.885 23.424 16.236 1.00 0.00 C ATOM 901 O ASP A 57 8.766 24.111 15.218 1.00 0.00 O ATOM 902 CB ASP A 57 8.570 21.101 15.427 1.00 0.00 C ATOM 903 CG ASP A 57 9.897 20.497 15.850 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.863 21.257 16.057 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.986 19.254 15.965 1.00 0.00 O ATOM 0 H ASP A 57 6.190 21.799 15.547 1.00 0.00 H new ATOM 0 HA ASP A 57 8.149 21.779 17.420 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.827 20.308 15.340 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.678 21.546 14.438 1.00 0.00 H new ATOM 910 N VAL A 58 9.721 23.706 17.226 1.00 0.00 N ATOM 911 CA VAL A 58 10.507 24.932 17.258 1.00 0.00 C ATOM 912 C VAL A 58 11.540 24.949 16.130 1.00 0.00 C ATOM 913 O VAL A 58 12.219 25.951 15.902 1.00 0.00 O ATOM 914 CB VAL A 58 11.222 25.085 18.619 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.781 26.492 18.790 1.00 0.00 C ATOM 916 CG2 VAL A 58 10.276 24.740 19.762 1.00 0.00 C ATOM 0 H VAL A 58 9.873 23.093 18.027 1.00 0.00 H new ATOM 0 HA VAL A 58 9.822 25.769 17.119 1.00 0.00 H new ATOM 0 HB VAL A 58 12.059 24.387 18.640 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.279 26.571 19.757 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.498 26.698 17.995 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.967 27.215 18.741 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.797 24.854 20.713 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.416 25.410 19.737 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.937 23.710 19.655 1.00 0.00 H new ATOM 926 N GLY A 59 11.634 23.838 15.413 1.00 0.00 N ATOM 927 CA GLY A 59 12.587 23.732 14.343 1.00 0.00 C ATOM 928 C GLY A 59 11.979 24.139 13.026 1.00 0.00 C ATOM 929 O GLY A 59 12.696 24.478 12.084 1.00 0.00 O ATOM 0 H GLY A 59 11.061 23.007 15.560 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.450 24.362 14.558 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.950 22.706 14.277 1.00 0.00 H new ATOM 933 N GLY A 60 10.653 24.117 12.953 1.00 0.00 N ATOM 934 CA GLY A 60 10.001 24.500 11.725 1.00 0.00 C ATOM 935 C GLY A 60 8.996 23.472 11.289 1.00 0.00 C ATOM 936 O GLY A 60 8.820 22.456 11.963 1.00 0.00 O ATOM 0 H GLY A 60 10.029 23.844 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.504 25.461 11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.748 24.635 10.942 1.00 0.00 H new ATOM 940 N PRO A 61 8.317 23.700 10.162 1.00 0.00 N ATOM 941 CA PRO A 61 7.253 22.823 9.709 1.00 0.00 C ATOM 942 C PRO A 61 7.792 21.509 9.183 1.00 0.00 C ATOM 943 O PRO A 61 8.951 21.402 8.772 1.00 0.00 O ATOM 944 CB PRO A 61 6.581 23.615 8.597 1.00 0.00 C ATOM 945 CG PRO A 61 7.664 24.468 8.059 1.00 0.00 C ATOM 946 CD PRO A 61 8.548 24.813 9.227 1.00 0.00 C ATOM 0 HA PRO A 61 6.571 22.552 10.515 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.172 22.957 7.830 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.753 24.214 8.977 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.226 23.942 7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.258 25.369 7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.595 24.882 8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.277 25.772 9.668 1.00 0.00 H new ATOM 954 N TRP A 62 6.929 20.532 9.163 1.00 0.00 N ATOM 955 CA TRP A 62 7.310 19.181 8.869 1.00 0.00 C ATOM 956 C TRP A 62 6.184 18.503 8.129 1.00 0.00 C ATOM 957 O TRP A 62 5.206 19.144 7.735 1.00 0.00 O ATOM 958 CB TRP A 62 7.612 18.430 10.172 1.00 0.00 C ATOM 959 CG TRP A 62 6.465 18.454 11.135 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.086 19.498 11.912 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.548 17.397 11.418 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.979 19.161 12.649 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.638 17.877 12.372 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.409 16.098 10.959 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.601 17.105 12.874 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.381 15.328 11.458 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.488 15.832 12.407 1.00 0.00 C ATOM 0 H TRP A 62 5.934 20.653 9.352 1.00 0.00 H new ATOM 0 HA TRP A 62 8.206 19.178 8.249 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.864 17.395 9.940 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.488 18.872 10.646 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.583 20.456 11.946 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.491 19.776 13.300 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.092 15.697 10.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.911 17.498 13.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.263 14.313 11.108 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.694 15.200 12.776 1.00 0.00 H new ATOM 978 N CYS A 63 6.332 17.221 7.943 1.00 0.00 N ATOM 979 CA CYS A 63 5.338 16.421 7.275 1.00 0.00 C ATOM 980 C CYS A 63 5.668 14.960 7.479 1.00 0.00 C ATOM 981 O CYS A 63 6.627 14.629 8.168 1.00 0.00 O ATOM 982 CB CYS A 63 5.300 16.767 5.789 1.00 0.00 C ATOM 983 SG CYS A 63 6.835 16.380 4.887 1.00 0.00 S ATOM 0 H CYS A 63 7.150 16.696 8.252 1.00 0.00 H new ATOM 0 HA CYS A 63 4.353 16.627 7.693 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.474 16.229 5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.088 17.831 5.681 1.00 0.00 H new ATOM 988 N TYR A 64 4.879 14.091 6.894 1.00 0.00 N ATOM 989 CA TYR A 64 5.211 12.685 6.867 1.00 0.00 C ATOM 990 C TYR A 64 5.785 12.401 5.512 1.00 0.00 C ATOM 991 O TYR A 64 5.398 13.046 4.551 1.00 0.00 O ATOM 992 CB TYR A 64 3.987 11.828 7.157 1.00 0.00 C ATOM 993 CG TYR A 64 3.614 11.855 8.616 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.348 11.131 9.540 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.538 12.601 9.070 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.022 11.147 10.880 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.206 12.624 10.409 1.00 0.00 C ATOM 998 CZ TYR A 64 2.952 11.894 11.309 1.00 0.00 C ATOM 999 OH TYR A 64 2.621 11.907 12.640 1.00 0.00 O ATOM 0 H TYR A 64 4.003 14.331 6.430 1.00 0.00 H new ATOM 0 HA TYR A 64 5.937 12.439 7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.146 12.183 6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.183 10.800 6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.190 10.544 9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.951 13.172 8.366 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.604 10.576 11.588 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.366 13.211 10.750 1.00 0.00 H new ATOM 0 HH TYR A 64 2.588 12.833 12.960 1.00 0.00 H new ATOM 1009 N THR A 65 6.722 11.493 5.409 1.00 0.00 N ATOM 1010 CA THR A 65 7.410 11.336 4.150 1.00 0.00 C ATOM 1011 C THR A 65 6.873 10.131 3.420 1.00 0.00 C ATOM 1012 O THR A 65 6.400 9.185 4.042 1.00 0.00 O ATOM 1013 CB THR A 65 8.931 11.170 4.341 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.239 9.801 4.623 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.440 12.045 5.473 1.00 0.00 C ATOM 0 H THR A 65 7.021 10.867 6.157 1.00 0.00 H new ATOM 0 HA THR A 65 7.236 12.242 3.569 1.00 0.00 H new ATOM 0 HB THR A 65 9.423 11.477 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.298 9.672 5.593 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.515 11.907 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.230 13.090 5.247 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.941 11.767 6.401 1.00 0.00 H new ATOM 1023 N THR A 66 6.910 10.170 2.104 1.00 0.00 N ATOM 1024 CA THR A 66 6.676 8.975 1.323 1.00 0.00 C ATOM 1025 C THR A 66 7.979 8.167 1.190 1.00 0.00 C ATOM 1026 O THR A 66 8.211 7.480 0.197 1.00 0.00 O ATOM 1027 CB THR A 66 6.106 9.332 -0.064 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.932 10.319 -0.696 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.681 9.859 0.057 1.00 0.00 C ATOM 0 H THR A 66 7.098 11.010 1.557 1.00 0.00 H new ATOM 0 HA THR A 66 5.938 8.360 1.838 1.00 0.00 H new ATOM 0 HB THR A 66 6.094 8.427 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.823 11.178 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.299 10.105 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.048 9.096 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.676 10.753 0.680 1.00 0.00 H new ATOM 1037 N ASN A 67 8.817 8.263 2.224 1.00 0.00 N ATOM 1038 CA ASN A 67 10.130 7.620 2.249 1.00 0.00 C ATOM 1039 C ASN A 67 10.141 6.490 3.277 1.00 0.00 C ATOM 1040 O ASN A 67 9.888 6.722 4.458 1.00 0.00 O ATOM 1041 CB ASN A 67 11.187 8.666 2.623 1.00 0.00 C ATOM 1042 CG ASN A 67 12.617 8.182 2.536 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.903 6.987 2.563 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.535 9.129 2.474 1.00 0.00 N ATOM 0 H ASN A 67 8.602 8.791 3.070 1.00 0.00 H new ATOM 0 HA ASN A 67 10.350 7.203 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.070 9.530 1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.995 9.008 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.524 8.880 2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.255 10.110 2.453 1.00 0.00 H new ATOM 1051 N PRO A 68 10.448 5.253 2.853 1.00 0.00 N ATOM 1052 CA PRO A 68 10.472 4.087 3.751 1.00 0.00 C ATOM 1053 C PRO A 68 11.606 4.131 4.777 1.00 0.00 C ATOM 1054 O PRO A 68 11.778 3.201 5.566 1.00 0.00 O ATOM 1055 CB PRO A 68 10.655 2.903 2.796 1.00 0.00 C ATOM 1056 CG PRO A 68 11.313 3.483 1.592 1.00 0.00 C ATOM 1057 CD PRO A 68 10.782 4.885 1.465 1.00 0.00 C ATOM 0 HA PRO A 68 9.566 4.035 4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.270 2.123 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.698 2.447 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.397 3.485 1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.084 2.897 0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.525 5.559 1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.906 4.926 0.817 1.00 0.00 H new ATOM 1065 N ARG A 69 12.377 5.206 4.761 1.00 0.00 N ATOM 1066 CA ARG A 69 13.422 5.416 5.745 1.00 0.00 C ATOM 1067 C ARG A 69 12.877 6.033 7.026 1.00 0.00 C ATOM 1068 O ARG A 69 13.076 5.494 8.116 1.00 0.00 O ATOM 1069 CB ARG A 69 14.495 6.313 5.158 1.00 0.00 C ATOM 1070 CG ARG A 69 15.404 5.593 4.183 1.00 0.00 C ATOM 1071 CD ARG A 69 16.189 4.495 4.882 1.00 0.00 C ATOM 1072 NE ARG A 69 16.870 4.992 6.079 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.191 4.235 7.128 1.00 0.00 C ATOM 1074 NH1 ARG A 69 16.872 2.947 7.145 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.804 4.782 8.169 1.00 0.00 N ATOM 0 H ARG A 69 12.296 5.952 4.070 1.00 0.00 H new ATOM 0 HA ARG A 69 13.845 4.444 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.020 7.153 4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.096 6.728 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.811 5.164 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.093 6.305 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.514 3.685 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.923 4.078 4.193 1.00 0.00 H new ATOM 0 HE ARG A 69 17.115 5.982 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.379 2.533 6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.119 2.371 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.027 5.777 8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.052 4.208 8.975 1.00 0.00 H new ATOM 1089 N LYS A 70 12.178 7.149 6.894 1.00 0.00 N ATOM 1090 CA LYS A 70 11.684 7.868 8.056 1.00 0.00 C ATOM 1091 C LYS A 70 10.187 8.114 7.936 1.00 0.00 C ATOM 1092 O LYS A 70 9.647 8.238 6.840 1.00 0.00 O ATOM 1093 CB LYS A 70 12.434 9.200 8.242 1.00 0.00 C ATOM 1094 CG LYS A 70 12.232 10.207 7.115 1.00 0.00 C ATOM 1095 CD LYS A 70 13.341 10.133 6.079 1.00 0.00 C ATOM 1096 CE LYS A 70 14.676 10.641 6.621 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.608 12.061 7.075 1.00 0.00 N ATOM 0 H LYS A 70 11.941 7.575 5.998 1.00 0.00 H new ATOM 0 HA LYS A 70 11.866 7.251 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.113 9.655 9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.500 8.991 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.272 10.023 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.192 11.214 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.456 9.102 5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.059 10.721 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.989 10.012 7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.438 10.547 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.572 12.435 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.100 12.628 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.105 12.111 7.984 1.00 0.00 H new ATOM 1111 N LEU A 71 9.529 8.173 9.078 1.00 0.00 N ATOM 1112 CA LEU A 71 8.087 8.378 9.142 1.00 0.00 C ATOM 1113 C LEU A 71 7.748 9.828 8.862 1.00 0.00 C ATOM 1114 O LEU A 71 6.833 10.125 8.095 1.00 0.00 O ATOM 1115 CB LEU A 71 7.562 7.966 10.524 1.00 0.00 C ATOM 1116 CG LEU A 71 6.067 8.198 10.768 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.225 7.276 9.900 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.732 7.993 12.237 1.00 0.00 C ATOM 0 H LEU A 71 9.976 8.081 9.990 1.00 0.00 H new ATOM 0 HA LEU A 71 7.609 7.759 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.774 6.907 10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.123 8.512 11.282 1.00 0.00 H new ATOM 0 HG LEU A 71 5.835 9.228 10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.168 7.460 10.092 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.442 7.467 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.461 6.238 10.136 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.667 8.161 12.394 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.985 6.974 12.529 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.304 8.697 12.842 1.00 0.00 H new ATOM 1130 N TYR A 72 8.512 10.726 9.449 1.00 0.00 N ATOM 1131 CA TYR A 72 8.277 12.139 9.260 1.00 0.00 C ATOM 1132 C TYR A 72 9.603 12.868 9.199 1.00 0.00 C ATOM 1133 O TYR A 72 10.624 12.363 9.672 1.00 0.00 O ATOM 1134 CB TYR A 72 7.382 12.715 10.370 1.00 0.00 C ATOM 1135 CG TYR A 72 8.086 13.060 11.666 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.231 12.121 12.680 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.584 14.342 11.883 1.00 0.00 C ATOM 1138 CE1 TYR A 72 8.857 12.449 13.869 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.207 14.676 13.069 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.341 13.726 14.057 1.00 0.00 C ATOM 1141 OH TYR A 72 9.960 14.056 15.244 1.00 0.00 O ATOM 0 H TYR A 72 9.298 10.502 10.059 1.00 0.00 H new ATOM 0 HA TYR A 72 7.748 12.281 8.318 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.897 13.614 9.991 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.593 11.994 10.587 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.849 11.121 12.538 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.481 15.089 11.110 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.966 11.708 14.647 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.587 15.676 13.221 1.00 0.00 H new ATOM 0 HH TYR A 72 10.244 14.993 15.215 1.00 0.00 H new ATOM 1151 N ASP A 73 9.577 14.042 8.609 1.00 0.00 N ATOM 1152 CA ASP A 73 10.777 14.834 8.392 1.00 0.00 C ATOM 1153 C ASP A 73 10.381 16.296 8.316 1.00 0.00 C ATOM 1154 O ASP A 73 9.199 16.614 8.285 1.00 0.00 O ATOM 1155 CB ASP A 73 11.446 14.394 7.083 1.00 0.00 C ATOM 1156 CG ASP A 73 12.904 14.799 6.949 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.407 15.574 7.785 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.560 14.314 5.999 1.00 0.00 O ATOM 0 H ASP A 73 8.723 14.480 8.263 1.00 0.00 H new ATOM 0 HA ASP A 73 11.483 14.690 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.375 13.309 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.888 14.814 6.246 1.00 0.00 H new ATOM 1163 N TYR A 74 11.357 17.172 8.280 1.00 0.00 N ATOM 1164 CA TYR A 74 11.097 18.601 8.238 1.00 0.00 C ATOM 1165 C TYR A 74 11.092 19.080 6.803 1.00 0.00 C ATOM 1166 O TYR A 74 11.698 18.456 5.942 1.00 0.00 O ATOM 1167 CB TYR A 74 12.159 19.366 9.023 1.00 0.00 C ATOM 1168 CG TYR A 74 12.134 19.094 10.513 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.850 18.032 11.052 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.393 19.896 11.381 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.832 17.775 12.410 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.374 19.643 12.738 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.094 18.584 13.248 1.00 0.00 C ATOM 1174 OH TYR A 74 12.073 18.330 14.600 1.00 0.00 O ATOM 0 H TYR A 74 12.346 16.923 8.279 1.00 0.00 H new ATOM 0 HA TYR A 74 10.123 18.786 8.691 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.143 19.107 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 74 12.021 20.434 8.856 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.430 17.397 10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.826 20.726 10.986 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.393 16.945 12.813 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.797 20.273 13.398 1.00 0.00 H new ATOM 0 HH TYR A 74 11.208 18.603 14.971 1.00 0.00 H new ATOM 1184 N CYS A 75 10.398 20.175 6.549 1.00 0.00 N ATOM 1185 CA CYS A 75 10.352 20.758 5.217 1.00 0.00 C ATOM 1186 C CYS A 75 11.188 22.023 5.158 1.00 0.00 C ATOM 1187 O CYS A 75 11.630 22.533 6.186 1.00 0.00 O ATOM 1188 CB CYS A 75 8.913 21.072 4.829 1.00 0.00 C ATOM 1189 SG CYS A 75 7.838 19.617 4.748 1.00 0.00 S ATOM 0 H CYS A 75 9.856 20.681 7.249 1.00 0.00 H new ATOM 0 HA CYS A 75 10.762 20.034 4.513 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.499 21.777 5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.909 21.568 3.859 1.00 0.00 H new ATOM 1194 N ASP A 76 11.379 22.547 3.957 1.00 0.00 N ATOM 1195 CA ASP A 76 12.166 23.757 3.778 1.00 0.00 C ATOM 1196 C ASP A 76 11.321 24.829 3.109 1.00 0.00 C ATOM 1197 O ASP A 76 11.569 25.227 1.967 1.00 0.00 O ATOM 1198 CB ASP A 76 13.436 23.488 2.961 1.00 0.00 C ATOM 1199 CG ASP A 76 14.414 24.653 3.016 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.156 24.762 4.010 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.439 25.470 2.071 1.00 0.00 O ATOM 0 H ASP A 76 11.001 22.155 3.095 1.00 0.00 H new ATOM 0 HA ASP A 76 12.478 24.107 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.924 22.589 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.164 23.293 1.924 1.00 0.00 H new ATOM 1206 N VAL A 77 10.289 25.257 3.812 1.00 0.00 N ATOM 1207 CA VAL A 77 9.463 26.355 3.357 1.00 0.00 C ATOM 1208 C VAL A 77 9.956 27.646 3.981 1.00 0.00 C ATOM 1209 O VAL A 77 10.207 27.714 5.183 1.00 0.00 O ATOM 1210 CB VAL A 77 7.970 26.139 3.687 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.787 25.640 5.101 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.168 27.411 3.462 1.00 0.00 C ATOM 0 H VAL A 77 10.003 24.857 4.706 1.00 0.00 H new ATOM 0 HA VAL A 77 9.545 26.409 2.271 1.00 0.00 H new ATOM 0 HB VAL A 77 7.593 25.374 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.725 25.498 5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.309 24.691 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.194 26.370 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.121 27.228 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.555 28.203 4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.253 27.715 2.419 1.00 0.00 H new ATOM 1222 N PRO A 78 10.121 28.671 3.148 1.00 0.00 N ATOM 1223 CA PRO A 78 10.651 29.967 3.563 1.00 0.00 C ATOM 1224 C PRO A 78 9.872 30.596 4.690 1.00 0.00 C ATOM 1225 O PRO A 78 8.674 30.362 4.870 1.00 0.00 O ATOM 1226 CB PRO A 78 10.551 30.830 2.296 1.00 0.00 C ATOM 1227 CG PRO A 78 9.632 30.088 1.381 1.00 0.00 C ATOM 1228 CD PRO A 78 9.804 28.641 1.717 1.00 0.00 C ATOM 0 HA PRO A 78 11.665 29.869 3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.160 31.821 2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.530 30.972 1.839 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.598 30.403 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.881 30.279 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.898 28.069 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.605 28.184 1.136 1.00 0.00 H new ATOM 1236 N GLN A 79 10.585 31.394 5.446 1.00 0.00 N ATOM 1237 CA GLN A 79 10.034 32.082 6.571 1.00 0.00 C ATOM 1238 C GLN A 79 9.174 33.238 6.091 1.00 0.00 C ATOM 1239 O GLN A 79 9.665 34.197 5.497 1.00 0.00 O ATOM 1240 CB GLN A 79 11.164 32.564 7.481 1.00 0.00 C ATOM 1241 CG GLN A 79 10.676 33.342 8.671 1.00 0.00 C ATOM 1242 CD GLN A 79 9.730 32.537 9.520 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.785 33.089 10.061 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.973 31.225 9.621 1.00 0.00 N ATOM 0 H GLN A 79 11.575 31.581 5.290 1.00 0.00 H new ATOM 0 HA GLN A 79 9.401 31.407 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.735 31.703 7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.846 33.187 6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.528 33.655 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.176 34.249 8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.779 30.818 9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.352 30.632 10.172 1.00 0.00 H new ATOM 1253 N CYS A 80 7.882 33.114 6.324 1.00 0.00 N ATOM 1254 CA CYS A 80 6.931 34.114 5.901 1.00 0.00 C ATOM 1255 C CYS A 80 7.040 35.319 6.812 1.00 0.00 C ATOM 1256 O CYS A 80 6.933 36.465 6.374 1.00 0.00 O ATOM 1257 CB CYS A 80 5.516 33.549 5.941 1.00 0.00 C ATOM 1258 SG CYS A 80 4.429 34.157 4.613 1.00 0.00 S ATOM 0 H CYS A 80 7.467 32.319 6.810 1.00 0.00 H new ATOM 0 HA CYS A 80 7.151 34.412 4.876 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.570 32.462 5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.067 33.794 6.903 1.00 0.00 H new ATOM 1263 N ALA A 81 7.272 35.046 8.089 1.00 0.00 N ATOM 1264 CA ALA A 81 7.496 36.107 9.067 1.00 0.00 C ATOM 1265 C ALA A 81 8.978 36.478 9.136 1.00 0.00 C ATOM 1266 O ALA A 81 9.543 36.644 10.218 1.00 0.00 O ATOM 1267 CB ALA A 81 6.985 35.688 10.439 1.00 0.00 C ATOM 0 H ALA A 81 7.310 34.102 8.473 1.00 0.00 H new ATOM 0 HA ALA A 81 6.939 36.987 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.161 36.492 11.154 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.916 35.481 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.511 34.791 10.765 1.00 0.00 H new