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 -75:sc= -0.63 USER MOD Set 1.2: A 18 THR OG1 : rot -68:sc= 2.5 USER MOD Set 1.3: A 20 THR OG1 : rot 90:sc= 1.23 USER MOD Set 1.4: A 67 ASN : amide:sc= 0.0973 K(o=3.2,f=-7.1!) USER MOD Set 2.1: A 37 THR OG1 : rot -62:sc= 1.31 USER MOD Set 2.2: A 40 THR OG1 : rot -170:sc= 1.93 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.65! C(o=0.59!,f=-1.3!) USER MOD Set 3.1: A 28 GLN : amide:sc= -1.27! C(o=-1.2!,f=-10!) USER MOD Set 3.2: A 34 SER OG : rot -8:sc= 0.0539 USER MOD Set 4.1: A 23 GLN : amide:sc= -1.52 K(o=-7.5,f=-18!) USER MOD Set 4.2: A 31 HIS : no HD1:sc= -1.76 K(o=-7.5,f=-9.9) USER MOD Set 4.3: A 33 HIS : no HD1:sc= -4.24! C(o=-7.5!,f=-13!) USER MOD Set 5.1: A 2 MET CE :methyl -137:sc= 0 (180deg=-0.698) USER MOD Set 5.2: A 79 GLN : amide:sc= -0.539 K(o=-0.54,f=-11!) USER MOD Single : A 1 CYS N :NH3+ -142:sc= 1.02 (180deg=0.0884) USER MOD Single : A 5 ASN : amide:sc= -0.883 K(o=-0.88,f=-13!) USER MOD Single : A 7 LYS NZ :NH3+ -139:sc= -2.13! (180deg=-4.67!) USER MOD Single : A 9 TYR OH : rot 14:sc= -0.59 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0656) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 49 ASN : amide:sc= 0.829 K(o=0.83,f=-3.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.712 K(o=-0.71,f=-11!) USER MOD Single : A 64 TYR OH : rot 107:sc= -0.293 USER MOD Single : A 65 THR OG1 : rot -86:sc= 0.0494 USER MOD Single : A 66 THR OG1 : rot -72:sc= 0.395 USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.05) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -140:sc= 0.593 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 5.003 30.140 2.579 1.00 0.00 N ATOM 51 CA CYS A 1 5.953 30.488 3.610 1.00 0.00 C ATOM 52 C CYS A 1 5.348 30.301 5.005 1.00 0.00 C ATOM 53 O CYS A 1 4.135 30.410 5.192 1.00 0.00 O ATOM 54 CB CYS A 1 6.441 31.922 3.394 1.00 0.00 C ATOM 55 SG CYS A 1 5.206 33.047 2.649 1.00 0.00 S ATOM 0 H1 CYS A 1 5.497 29.659 1.800 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.279 29.506 2.974 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.548 31.004 2.220 1.00 0.00 H new ATOM 0 HA CYS A 1 6.810 29.817 3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.754 32.333 4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.323 31.898 2.754 1.00 0.00 H new ATOM 60 N MET A 2 6.207 30.004 5.976 1.00 0.00 N ATOM 61 CA MET A 2 5.767 29.760 7.363 1.00 0.00 C ATOM 62 C MET A 2 5.895 30.985 8.244 1.00 0.00 C ATOM 63 O MET A 2 6.721 31.850 8.010 1.00 0.00 O ATOM 64 CB MET A 2 6.577 28.636 8.012 1.00 0.00 C ATOM 65 CG MET A 2 8.080 28.849 7.914 1.00 0.00 C ATOM 66 SD MET A 2 9.008 27.781 9.026 1.00 0.00 S ATOM 67 CE MET A 2 10.684 28.331 8.717 1.00 0.00 C ATOM 0 H MET A 2 7.214 29.924 5.837 1.00 0.00 H new ATOM 0 HA MET A 2 4.715 29.484 7.287 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.296 28.553 9.062 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.319 27.689 7.537 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.402 28.667 6.889 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.311 29.890 8.140 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.343 27.466 8.643 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.716 28.893 7.783 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.014 28.970 9.536 1.00 0.00 H new ATOM 77 N PHE A 3 5.080 31.025 9.282 1.00 0.00 N ATOM 78 CA PHE A 3 5.091 32.117 10.229 1.00 0.00 C ATOM 79 C PHE A 3 5.676 31.615 11.533 1.00 0.00 C ATOM 80 O PHE A 3 4.981 30.987 12.332 1.00 0.00 O ATOM 81 CB PHE A 3 3.669 32.653 10.447 1.00 0.00 C ATOM 82 CG PHE A 3 3.031 33.247 9.213 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.540 32.430 8.207 1.00 0.00 C ATOM 84 CD2 PHE A 3 2.912 34.620 9.070 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.947 32.970 7.082 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.321 35.165 7.945 1.00 0.00 C ATOM 87 CZ PHE A 3 1.838 34.339 6.950 1.00 0.00 C ATOM 0 H PHE A 3 4.393 30.300 9.489 1.00 0.00 H new ATOM 0 HA PHE A 3 5.699 32.936 9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.040 31.841 10.812 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.696 33.412 11.229 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.622 31.357 8.304 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.285 35.272 9.846 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.569 32.321 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.237 36.237 7.845 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.376 34.763 6.071 1.00 0.00 H new ATOM 97 N GLY A 4 6.960 31.849 11.725 1.00 0.00 N ATOM 98 CA GLY A 4 7.635 31.298 12.858 1.00 0.00 C ATOM 99 C GLY A 4 7.974 29.853 12.619 1.00 0.00 C ATOM 100 O GLY A 4 8.710 29.527 11.682 1.00 0.00 O ATOM 0 H GLY A 4 7.544 32.415 11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.546 31.863 13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.005 31.388 13.743 1.00 0.00 H new ATOM 104 N ASN A 5 7.357 28.999 13.421 1.00 0.00 N ATOM 105 CA ASN A 5 7.571 27.557 13.388 1.00 0.00 C ATOM 106 C ASN A 5 6.793 26.913 12.252 1.00 0.00 C ATOM 107 O ASN A 5 7.157 25.852 11.767 1.00 0.00 O ATOM 108 CB ASN A 5 7.145 26.928 14.722 1.00 0.00 C ATOM 109 CG ASN A 5 5.861 27.491 15.289 1.00 0.00 C ATOM 110 OD1 ASN A 5 4.999 27.990 14.566 1.00 0.00 O ATOM 111 ND2 ASN A 5 5.732 27.405 16.603 1.00 0.00 N ATOM 0 H ASN A 5 6.681 29.292 14.126 1.00 0.00 H new ATOM 0 HA ASN A 5 8.634 27.380 13.224 1.00 0.00 H new ATOM 0 HB2 ASN A 5 7.028 25.853 14.583 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.944 27.070 15.450 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.891 27.761 17.057 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.474 26.983 17.162 1.00 0.00 H new ATOM 118 N GLY A 6 5.714 27.551 11.830 1.00 0.00 N ATOM 119 CA GLY A 6 4.902 26.975 10.786 1.00 0.00 C ATOM 120 C GLY A 6 3.550 26.551 11.305 1.00 0.00 C ATOM 121 O GLY A 6 2.813 25.823 10.639 1.00 0.00 O ATOM 0 H GLY A 6 5.390 28.449 12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.773 27.700 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.415 26.113 10.359 1.00 0.00 H new ATOM 125 N LYS A 7 3.232 27.014 12.500 1.00 0.00 N ATOM 126 CA LYS A 7 1.937 26.787 13.100 1.00 0.00 C ATOM 127 C LYS A 7 0.842 27.392 12.232 1.00 0.00 C ATOM 128 O LYS A 7 -0.213 26.793 12.017 1.00 0.00 O ATOM 129 CB LYS A 7 1.944 27.398 14.494 1.00 0.00 C ATOM 130 CG LYS A 7 2.524 26.477 15.538 1.00 0.00 C ATOM 131 CD LYS A 7 2.425 27.062 16.941 1.00 0.00 C ATOM 132 CE LYS A 7 0.996 27.096 17.477 1.00 0.00 C ATOM 133 NZ LYS A 7 0.161 28.144 16.828 1.00 0.00 N ATOM 0 H LYS A 7 3.869 27.559 13.081 1.00 0.00 H new ATOM 0 HA LYS A 7 1.734 25.719 13.178 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.518 28.325 14.476 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.924 27.660 14.775 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.001 25.521 15.507 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.569 26.277 15.303 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.046 26.475 17.617 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.829 28.075 16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.532 26.122 17.324 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.020 27.272 18.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.431 28.609 17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.778 28.850 16.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.448 27.706 16.107 1.00 0.00 H new ATOM 147 N GLY A 8 1.118 28.583 11.727 1.00 0.00 N ATOM 148 CA GLY A 8 0.259 29.204 10.763 1.00 0.00 C ATOM 149 C GLY A 8 0.901 29.225 9.392 1.00 0.00 C ATOM 150 O GLY A 8 0.657 30.125 8.598 1.00 0.00 O ATOM 0 H GLY A 8 1.939 29.133 11.978 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.688 28.666 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.032 30.223 11.077 1.00 0.00 H new ATOM 154 N TYR A 9 1.761 28.243 9.131 1.00 0.00 N ATOM 155 CA TYR A 9 2.341 28.054 7.809 1.00 0.00 C ATOM 156 C TYR A 9 1.267 27.603 6.828 1.00 0.00 C ATOM 157 O TYR A 9 0.814 26.457 6.868 1.00 0.00 O ATOM 158 CB TYR A 9 3.462 27.013 7.884 1.00 0.00 C ATOM 159 CG TYR A 9 3.895 26.465 6.547 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.946 27.269 5.418 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.222 25.128 6.414 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.299 26.751 4.196 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.589 24.605 5.196 1.00 0.00 C ATOM 164 CZ TYR A 9 4.618 25.421 4.087 1.00 0.00 C ATOM 165 OH TYR A 9 4.946 24.907 2.862 1.00 0.00 O ATOM 0 H TYR A 9 2.072 27.563 9.825 1.00 0.00 H new ATOM 0 HA TYR A 9 2.756 28.999 7.460 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.325 27.461 8.376 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.131 26.186 8.512 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.704 28.318 5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.189 24.484 7.280 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.325 27.388 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.853 23.561 5.110 1.00 0.00 H new ATOM 0 HH TYR A 9 5.120 25.640 2.236 1.00 0.00 H new ATOM 175 N ARG A 10 0.852 28.503 5.950 1.00 0.00 N ATOM 176 CA ARG A 10 -0.232 28.214 5.021 1.00 0.00 C ATOM 177 C ARG A 10 0.313 28.147 3.594 1.00 0.00 C ATOM 178 O ARG A 10 -0.197 28.810 2.693 1.00 0.00 O ATOM 179 CB ARG A 10 -1.324 29.293 5.117 1.00 0.00 C ATOM 180 CG ARG A 10 -1.440 29.953 6.491 1.00 0.00 C ATOM 181 CD ARG A 10 -2.178 29.104 7.528 1.00 0.00 C ATOM 182 NE ARG A 10 -1.565 27.796 7.720 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.847 26.976 8.727 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.792 27.278 9.607 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.166 25.849 8.852 1.00 0.00 N ATOM 0 H ARG A 10 1.248 29.439 5.860 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.671 27.251 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.123 30.064 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.284 28.845 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.439 30.174 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.957 30.906 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.198 29.635 8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.214 28.973 7.215 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.873 27.489 7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.314 28.150 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.997 26.639 10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.434 25.618 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.373 25.211 9.620 1.00 0.00 H new ATOM 199 N GLY A 11 1.361 27.352 3.403 1.00 0.00 N ATOM 200 CA GLY A 11 2.009 27.261 2.104 1.00 0.00 C ATOM 201 C GLY A 11 1.619 26.008 1.341 1.00 0.00 C ATOM 202 O GLY A 11 0.504 25.506 1.495 1.00 0.00 O ATOM 0 H GLY A 11 1.776 26.766 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.750 28.138 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.090 27.277 2.240 1.00 0.00 H new ATOM 206 N LYS A 12 2.535 25.490 0.528 1.00 0.00 N ATOM 207 CA LYS A 12 2.232 24.364 -0.341 1.00 0.00 C ATOM 208 C LYS A 12 3.480 23.547 -0.618 1.00 0.00 C ATOM 209 O LYS A 12 3.539 22.808 -1.602 1.00 0.00 O ATOM 210 CB LYS A 12 1.589 24.823 -1.665 1.00 0.00 C ATOM 211 CG LYS A 12 2.358 25.902 -2.422 1.00 0.00 C ATOM 212 CD LYS A 12 2.012 27.299 -1.930 1.00 0.00 C ATOM 213 CE LYS A 12 0.532 27.604 -2.091 1.00 0.00 C ATOM 214 NZ LYS A 12 0.112 27.615 -3.516 1.00 0.00 N ATOM 0 H LYS A 12 3.492 25.834 0.455 1.00 0.00 H new ATOM 0 HA LYS A 12 1.510 23.736 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.477 23.956 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.586 25.195 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.429 25.732 -2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.135 25.827 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.291 27.394 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.597 28.034 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.051 26.860 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.312 28.572 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.873 27.942 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.729 28.256 -4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.186 26.654 -3.907 1.00 0.00 H new ATOM 228 N ARG A 13 4.482 23.687 0.239 1.00 0.00 N ATOM 229 CA ARG A 13 5.645 22.830 0.162 1.00 0.00 C ATOM 230 C ARG A 13 5.201 21.406 0.403 1.00 0.00 C ATOM 231 O ARG A 13 4.352 21.152 1.247 1.00 0.00 O ATOM 232 CB ARG A 13 6.700 23.217 1.192 1.00 0.00 C ATOM 233 CG ARG A 13 7.331 24.577 0.965 1.00 0.00 C ATOM 234 CD ARG A 13 8.311 24.565 -0.192 1.00 0.00 C ATOM 235 NE ARG A 13 8.755 25.915 -0.533 1.00 0.00 N ATOM 236 CZ ARG A 13 9.981 26.219 -0.946 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.910 25.276 -1.029 1.00 0.00 N ATOM 238 NH2 ARG A 13 10.274 27.470 -1.285 1.00 0.00 N ATOM 0 H ARG A 13 4.509 24.380 0.987 1.00 0.00 H new ATOM 0 HA ARG A 13 6.096 22.937 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.245 23.202 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.485 22.461 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.549 25.311 0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.846 24.893 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.174 23.952 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.843 24.104 -1.062 1.00 0.00 H new ATOM 0 HE ARG A 13 8.079 26.674 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.684 24.314 -0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.850 25.513 -1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.559 28.195 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.214 27.706 -1.602 1.00 0.00 H new ATOM 252 N VAL A 14 5.757 20.493 -0.348 1.00 0.00 N ATOM 253 CA VAL A 14 5.334 19.104 -0.299 1.00 0.00 C ATOM 254 C VAL A 14 6.544 18.194 -0.373 1.00 0.00 C ATOM 255 O VAL A 14 6.512 17.111 -0.956 1.00 0.00 O ATOM 256 CB VAL A 14 4.346 18.792 -1.440 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.966 19.332 -1.098 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.834 19.406 -2.742 1.00 0.00 C ATOM 0 H VAL A 14 6.511 20.681 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 14 4.819 18.928 0.646 1.00 0.00 H new ATOM 0 HB VAL A 14 4.284 17.711 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.275 19.106 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.610 18.866 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.022 20.412 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.127 19.178 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.915 20.487 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.811 18.994 -2.995 1.00 0.00 H new ATOM 268 N THR A 15 7.607 18.660 0.246 1.00 0.00 N ATOM 269 CA THR A 15 8.877 17.986 0.250 1.00 0.00 C ATOM 270 C THR A 15 9.604 18.308 1.537 1.00 0.00 C ATOM 271 O THR A 15 9.524 19.432 2.043 1.00 0.00 O ATOM 272 CB THR A 15 9.745 18.440 -0.924 1.00 0.00 C ATOM 273 OG1 THR A 15 9.288 19.703 -1.434 1.00 0.00 O ATOM 274 CG2 THR A 15 9.752 17.403 -2.020 1.00 0.00 C ATOM 0 H THR A 15 7.607 19.535 0.769 1.00 0.00 H new ATOM 0 HA THR A 15 8.696 16.915 0.162 1.00 0.00 H new ATOM 0 HB THR A 15 10.766 18.562 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.856 19.978 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.376 17.749 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.150 16.466 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.735 17.244 -2.377 1.00 0.00 H new ATOM 282 N THR A 16 10.313 17.330 2.049 1.00 0.00 N ATOM 283 CA THR A 16 11.052 17.485 3.275 1.00 0.00 C ATOM 284 C THR A 16 12.318 18.306 3.051 1.00 0.00 C ATOM 285 O THR A 16 12.562 18.800 1.948 1.00 0.00 O ATOM 286 CB THR A 16 11.437 16.110 3.827 1.00 0.00 C ATOM 287 OG1 THR A 16 12.170 15.401 2.826 1.00 0.00 O ATOM 288 CG2 THR A 16 10.203 15.313 4.207 1.00 0.00 C ATOM 0 H THR A 16 10.392 16.405 1.626 1.00 0.00 H new ATOM 0 HA THR A 16 10.416 18.008 3.989 1.00 0.00 H new ATOM 0 HB THR A 16 12.046 16.246 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.554 15.081 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.504 14.340 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.643 15.852 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.575 15.173 3.327 1.00 0.00 H new ATOM 296 N VAL A 17 13.134 18.424 4.086 1.00 0.00 N ATOM 297 CA VAL A 17 14.409 19.113 3.978 1.00 0.00 C ATOM 298 C VAL A 17 15.353 18.362 3.058 1.00 0.00 C ATOM 299 O VAL A 17 16.348 18.903 2.577 1.00 0.00 O ATOM 300 CB VAL A 17 15.091 19.293 5.343 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.383 20.359 6.165 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.148 17.975 6.104 1.00 0.00 C ATOM 0 H VAL A 17 12.935 18.050 5.014 1.00 0.00 H new ATOM 0 HA VAL A 17 14.191 20.098 3.566 1.00 0.00 H new ATOM 0 HB VAL A 17 16.114 19.624 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.884 20.469 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.411 21.309 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.346 20.065 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.636 18.131 7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.136 17.604 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.714 17.245 5.525 1.00 0.00 H new ATOM 312 N THR A 18 15.015 17.114 2.807 1.00 0.00 N ATOM 313 CA THR A 18 15.807 16.261 1.950 1.00 0.00 C ATOM 314 C THR A 18 15.275 16.336 0.533 1.00 0.00 C ATOM 315 O THR A 18 15.926 15.904 -0.420 1.00 0.00 O ATOM 316 CB THR A 18 15.727 14.801 2.425 1.00 0.00 C ATOM 317 OG1 THR A 18 14.400 14.304 2.206 1.00 0.00 O ATOM 318 CG2 THR A 18 16.061 14.692 3.902 1.00 0.00 C ATOM 0 H THR A 18 14.184 16.664 3.192 1.00 0.00 H new ATOM 0 HA THR A 18 16.843 16.599 1.986 1.00 0.00 H new ATOM 0 HB THR A 18 16.450 14.213 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.777 14.758 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.997 13.649 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.072 15.061 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.354 15.287 4.480 1.00 0.00 H new ATOM 326 N GLY A 19 14.080 16.898 0.402 1.00 0.00 N ATOM 327 CA GLY A 19 13.419 16.911 -0.869 1.00 0.00 C ATOM 328 C GLY A 19 12.578 15.673 -1.061 1.00 0.00 C ATOM 329 O GLY A 19 12.114 15.405 -2.170 1.00 0.00 O ATOM 0 H GLY A 19 13.564 17.343 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.789 17.797 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.160 16.978 -1.666 1.00 0.00 H new ATOM 333 N THR A 20 12.398 14.898 0.006 1.00 0.00 N ATOM 334 CA THR A 20 11.510 13.755 -0.052 1.00 0.00 C ATOM 335 C THR A 20 10.057 14.214 0.027 1.00 0.00 C ATOM 336 O THR A 20 9.664 14.879 0.983 1.00 0.00 O ATOM 337 CB THR A 20 11.798 12.755 1.080 1.00 0.00 C ATOM 338 OG1 THR A 20 13.134 12.247 0.957 1.00 0.00 O ATOM 339 CG2 THR A 20 10.805 11.604 1.040 1.00 0.00 C ATOM 0 H THR A 20 12.852 15.043 0.908 1.00 0.00 H new ATOM 0 HA THR A 20 11.684 13.251 -1.002 1.00 0.00 H new ATOM 0 HB THR A 20 11.696 13.273 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.749 12.820 1.461 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.024 10.906 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.793 11.992 1.160 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.885 11.088 0.083 1.00 0.00 H new ATOM 347 N PRO A 21 9.256 13.900 -1.001 1.00 0.00 N ATOM 348 CA PRO A 21 7.828 14.228 -1.035 1.00 0.00 C ATOM 349 C PRO A 21 7.086 13.868 0.240 1.00 0.00 C ATOM 350 O PRO A 21 7.087 12.710 0.674 1.00 0.00 O ATOM 351 CB PRO A 21 7.317 13.354 -2.160 1.00 0.00 C ATOM 352 CG PRO A 21 8.454 13.290 -3.106 1.00 0.00 C ATOM 353 CD PRO A 21 9.684 13.221 -2.240 1.00 0.00 C ATOM 0 HA PRO A 21 7.675 15.300 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.039 12.363 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.431 13.783 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.379 12.417 -3.754 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.477 14.166 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.988 12.191 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.533 13.724 -2.703 1.00 0.00 H new ATOM 361 N CYS A 22 6.458 14.864 0.830 1.00 0.00 N ATOM 362 CA CYS A 22 5.573 14.639 1.960 1.00 0.00 C ATOM 363 C CYS A 22 4.386 13.775 1.555 1.00 0.00 C ATOM 364 O CYS A 22 3.862 13.881 0.442 1.00 0.00 O ATOM 365 CB CYS A 22 5.083 15.969 2.527 1.00 0.00 C ATOM 366 SG CYS A 22 6.431 17.046 3.090 1.00 0.00 S ATOM 0 H CYS A 22 6.543 15.840 0.547 1.00 0.00 H new ATOM 0 HA CYS A 22 6.136 14.113 2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.504 16.490 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.409 15.775 3.361 1.00 0.00 H new ATOM 371 N GLN A 23 4.012 12.891 2.459 1.00 0.00 N ATOM 372 CA GLN A 23 2.828 12.064 2.327 1.00 0.00 C ATOM 373 C GLN A 23 1.604 12.903 2.562 1.00 0.00 C ATOM 374 O GLN A 23 1.689 14.001 3.118 1.00 0.00 O ATOM 375 CB GLN A 23 2.851 10.978 3.387 1.00 0.00 C ATOM 376 CG GLN A 23 1.818 9.883 3.209 1.00 0.00 C ATOM 377 CD GLN A 23 1.954 8.854 4.291 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.730 7.934 4.155 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.151 8.960 5.336 1.00 0.00 N ATOM 0 H GLN A 23 4.531 12.724 3.321 1.00 0.00 H new ATOM 0 HA GLN A 23 2.810 11.628 1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.842 10.523 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.702 11.441 4.363 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.816 10.312 3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.942 9.413 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.513 9.752 5.410 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.170 8.250 6.068 1.00 0.00 H new ATOM 388 N ASP A 24 0.469 12.362 2.204 1.00 0.00 N ATOM 389 CA ASP A 24 -0.769 13.026 2.466 1.00 0.00 C ATOM 390 C ASP A 24 -1.058 12.834 3.929 1.00 0.00 C ATOM 391 O ASP A 24 -1.045 11.705 4.427 1.00 0.00 O ATOM 392 CB ASP A 24 -1.912 12.455 1.618 1.00 0.00 C ATOM 393 CG ASP A 24 -1.762 12.739 0.134 1.00 0.00 C ATOM 394 OD1 ASP A 24 -2.212 13.811 -0.321 1.00 0.00 O ATOM 395 OD2 ASP A 24 -1.221 11.875 -0.591 1.00 0.00 O ATOM 0 H ASP A 24 0.382 11.463 1.730 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.691 14.082 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.964 11.377 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.857 12.872 1.967 1.00 0.00 H new ATOM 400 N TRP A 25 -1.257 13.931 4.629 1.00 0.00 N ATOM 401 CA TRP A 25 -1.667 13.879 6.024 1.00 0.00 C ATOM 402 C TRP A 25 -2.909 13.020 6.129 1.00 0.00 C ATOM 403 O TRP A 25 -3.133 12.321 7.113 1.00 0.00 O ATOM 404 CB TRP A 25 -1.965 15.280 6.543 1.00 0.00 C ATOM 405 CG TRP A 25 -0.879 16.260 6.248 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.733 16.989 5.113 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.205 16.627 7.103 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.380 17.770 5.202 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.973 17.575 6.417 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.598 16.240 8.375 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.113 18.151 6.972 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.726 16.807 8.933 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.475 17.753 8.232 1.00 0.00 C ATOM 0 H TRP A 25 -1.142 14.874 4.257 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.863 13.454 6.625 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.896 15.634 6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.122 15.235 7.621 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.400 16.955 4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.717 18.401 4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.028 15.504 8.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.691 18.885 6.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.033 16.514 9.926 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.355 18.179 8.691 1.00 0.00 H new ATOM 424 N ALA A 26 -3.697 13.086 5.072 1.00 0.00 N ATOM 425 CA ALA A 26 -4.918 12.311 4.955 1.00 0.00 C ATOM 426 C ALA A 26 -4.664 10.840 4.605 1.00 0.00 C ATOM 427 O ALA A 26 -5.584 10.027 4.701 1.00 0.00 O ATOM 428 CB ALA A 26 -5.839 12.945 3.921 1.00 0.00 C ATOM 0 H ALA A 26 -3.507 13.682 4.266 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.395 12.322 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.753 12.357 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.087 13.961 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.337 12.971 2.954 1.00 0.00 H new ATOM 434 N ALA A 27 -3.443 10.465 4.207 1.00 0.00 N ATOM 435 CA ALA A 27 -3.198 9.104 3.806 1.00 0.00 C ATOM 436 C ALA A 27 -2.339 8.433 4.844 1.00 0.00 C ATOM 437 O ALA A 27 -1.531 9.078 5.474 1.00 0.00 O ATOM 438 CB ALA A 27 -2.522 9.062 2.448 1.00 0.00 C ATOM 0 H ALA A 27 -2.633 11.083 4.159 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.147 8.575 3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.345 8.025 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.164 9.538 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.571 9.592 2.498 1.00 0.00 H new ATOM 444 N GLN A 28 -2.514 7.151 5.008 1.00 0.00 N ATOM 445 CA GLN A 28 -1.744 6.361 5.940 1.00 0.00 C ATOM 446 C GLN A 28 -0.726 5.640 5.110 1.00 0.00 C ATOM 447 O GLN A 28 -0.327 4.513 5.400 1.00 0.00 O ATOM 448 CB GLN A 28 -2.647 5.333 6.625 1.00 0.00 C ATOM 449 CG GLN A 28 -3.848 5.936 7.317 1.00 0.00 C ATOM 450 CD GLN A 28 -3.430 6.862 8.423 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.236 6.433 9.549 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.271 8.134 8.106 1.00 0.00 N ATOM 0 H GLN A 28 -3.208 6.612 4.490 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.289 6.983 6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.992 4.614 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.059 4.778 7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.453 6.481 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.475 5.141 7.722 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.445 8.447 7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.974 8.803 8.816 1.00 0.00 H new ATOM 461 N GLU A 29 -0.329 6.303 4.047 1.00 0.00 N ATOM 462 CA GLU A 29 0.196 5.600 2.923 1.00 0.00 C ATOM 463 C GLU A 29 1.299 6.347 2.197 1.00 0.00 C ATOM 464 O GLU A 29 1.084 7.443 1.691 1.00 0.00 O ATOM 465 CB GLU A 29 -0.972 5.324 1.990 1.00 0.00 C ATOM 466 CG GLU A 29 -1.945 4.286 2.527 1.00 0.00 C ATOM 467 CD GLU A 29 -3.108 4.024 1.595 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.964 3.190 0.679 1.00 0.00 O ATOM 469 OE2 GLU A 29 -4.177 4.643 1.785 1.00 0.00 O ATOM 0 H GLU A 29 -0.363 7.318 3.947 1.00 0.00 H new ATOM 0 HA GLU A 29 0.665 4.680 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.510 6.255 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.586 4.986 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.411 3.352 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.328 4.620 3.491 1.00 0.00 H new ATOM 476 N PRO A 30 2.494 5.733 2.101 1.00 0.00 N ATOM 477 CA PRO A 30 2.757 4.389 2.625 1.00 0.00 C ATOM 478 C PRO A 30 3.249 4.392 4.077 1.00 0.00 C ATOM 479 O PRO A 30 4.064 3.560 4.473 1.00 0.00 O ATOM 480 CB PRO A 30 3.851 3.892 1.685 1.00 0.00 C ATOM 481 CG PRO A 30 4.629 5.118 1.325 1.00 0.00 C ATOM 482 CD PRO A 30 3.683 6.293 1.437 1.00 0.00 C ATOM 0 HA PRO A 30 1.860 3.770 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.484 3.150 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.427 3.418 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.481 5.244 1.993 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.027 5.039 0.313 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.121 7.103 2.020 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.437 6.702 0.457 1.00 0.00 H new ATOM 490 N HIS A 31 2.757 5.343 4.858 1.00 0.00 N ATOM 491 CA HIS A 31 3.098 5.462 6.265 1.00 0.00 C ATOM 492 C HIS A 31 1.827 5.691 7.052 1.00 0.00 C ATOM 493 O HIS A 31 1.171 6.736 6.925 1.00 0.00 O ATOM 494 CB HIS A 31 4.097 6.605 6.506 1.00 0.00 C ATOM 495 CG HIS A 31 5.430 6.375 5.864 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.623 6.452 4.507 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.632 6.054 6.394 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.882 6.184 4.227 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.522 5.942 5.353 1.00 0.00 N ATOM 0 H HIS A 31 2.107 6.057 4.530 1.00 0.00 H new ATOM 0 HA HIS A 31 3.579 4.541 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.674 7.534 6.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.237 6.735 7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.852 5.912 7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.317 6.166 3.239 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.512 5.710 5.438 1.00 0.00 H new ATOM 508 N ARG A 32 1.455 4.698 7.833 1.00 0.00 N ATOM 509 CA ARG A 32 0.226 4.774 8.590 1.00 0.00 C ATOM 510 C ARG A 32 0.407 5.767 9.726 1.00 0.00 C ATOM 511 O ARG A 32 1.379 5.697 10.480 1.00 0.00 O ATOM 512 CB ARG A 32 -0.192 3.392 9.138 1.00 0.00 C ATOM 513 CG ARG A 32 0.589 2.910 10.364 1.00 0.00 C ATOM 514 CD ARG A 32 2.031 2.550 10.032 1.00 0.00 C ATOM 515 NE ARG A 32 2.848 2.350 11.228 1.00 0.00 N ATOM 516 CZ ARG A 32 3.899 1.531 11.280 1.00 0.00 C ATOM 517 NH1 ARG A 32 4.159 0.717 10.263 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.667 1.498 12.365 1.00 0.00 N ATOM 0 H ARG A 32 1.983 3.835 7.959 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.573 5.110 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.251 3.426 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.079 2.655 8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.579 3.689 11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.089 2.040 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.046 1.642 9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.469 3.342 9.425 1.00 0.00 H new ATOM 0 HE ARG A 32 2.600 2.867 12.071 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.554 0.718 9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.963 0.091 10.304 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.453 2.100 13.160 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.470 0.871 12.402 1.00 0.00 H new ATOM 532 N HIS A 33 -0.488 6.730 9.810 1.00 0.00 N ATOM 533 CA HIS A 33 -0.416 7.718 10.873 1.00 0.00 C ATOM 534 C HIS A 33 -1.797 8.305 11.143 1.00 0.00 C ATOM 535 O HIS A 33 -2.220 9.282 10.532 1.00 0.00 O ATOM 536 CB HIS A 33 0.589 8.826 10.522 1.00 0.00 C ATOM 537 CG HIS A 33 0.167 9.642 9.350 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.111 10.973 9.429 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.091 9.287 8.094 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.528 11.415 8.271 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.520 10.413 7.432 1.00 0.00 N ATOM 0 H HIS A 33 -1.267 6.852 9.163 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.067 7.224 11.780 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.718 9.479 11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.560 8.376 10.314 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.017 8.298 7.673 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.826 12.429 8.048 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.788 10.459 6.449 1.00 0.00 H new ATOM 550 N SER A 34 -2.516 7.674 12.031 1.00 0.00 N ATOM 551 CA SER A 34 -3.811 8.187 12.475 1.00 0.00 C ATOM 552 C SER A 34 -3.622 9.397 13.401 1.00 0.00 C ATOM 553 O SER A 34 -4.388 9.608 14.345 1.00 0.00 O ATOM 554 CB SER A 34 -4.583 7.078 13.187 1.00 0.00 C ATOM 555 OG SER A 34 -4.661 5.919 12.374 1.00 0.00 O ATOM 0 H SER A 34 -2.236 6.798 12.472 1.00 0.00 H new ATOM 0 HA SER A 34 -4.382 8.515 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.093 6.835 14.130 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.587 7.426 13.430 1.00 0.00 H new ATOM 0 HG SER A 34 -4.309 6.121 11.482 1.00 0.00 H new ATOM 561 N ILE A 35 -2.586 10.178 13.110 1.00 0.00 N ATOM 562 CA ILE A 35 -2.209 11.330 13.882 1.00 0.00 C ATOM 563 C ILE A 35 -1.717 12.388 12.920 1.00 0.00 C ATOM 564 O ILE A 35 -1.126 12.060 11.880 1.00 0.00 O ATOM 565 CB ILE A 35 -1.110 11.014 14.924 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.079 10.327 14.249 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.667 10.150 16.047 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.218 10.005 15.194 1.00 0.00 C ATOM 0 H ILE A 35 -1.978 10.013 12.308 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.078 11.674 14.443 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.765 11.952 15.359 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.264 9.404 13.781 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.452 10.969 13.451 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.878 9.939 16.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.481 10.678 16.543 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.041 9.213 15.634 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.023 9.520 14.642 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.590 10.926 15.643 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.862 9.337 15.978 1.00 0.00 H new ATOM 580 N PHE A 36 -1.955 13.633 13.265 1.00 0.00 N ATOM 581 CA PHE A 36 -1.647 14.751 12.413 1.00 0.00 C ATOM 582 C PHE A 36 -2.244 14.568 11.024 1.00 0.00 C ATOM 583 O PHE A 36 -1.588 14.761 10.003 1.00 0.00 O ATOM 584 CB PHE A 36 -0.144 14.993 12.379 1.00 0.00 C ATOM 585 CG PHE A 36 0.456 15.017 13.757 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.247 16.097 14.596 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.204 13.948 14.222 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.777 16.115 15.869 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.734 13.959 15.496 1.00 0.00 C ATOM 590 CZ PHE A 36 1.520 15.044 16.320 1.00 0.00 C ATOM 0 H PHE A 36 -2.373 13.897 14.157 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.109 15.647 12.828 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.335 14.212 11.789 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.059 15.940 11.879 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.338 16.936 14.250 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.374 13.096 13.580 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.611 16.967 16.512 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.315 13.119 15.847 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.934 15.055 17.318 1.00 0.00 H new ATOM 600 N THR A 37 -3.496 14.154 11.022 1.00 0.00 N ATOM 601 CA THR A 37 -4.301 14.107 9.821 1.00 0.00 C ATOM 602 C THR A 37 -5.217 15.322 9.806 1.00 0.00 C ATOM 603 O THR A 37 -5.286 16.056 10.795 1.00 0.00 O ATOM 604 CB THR A 37 -5.169 12.825 9.765 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.261 12.914 10.699 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.338 11.593 10.077 1.00 0.00 C ATOM 0 H THR A 37 -3.985 13.839 11.860 1.00 0.00 H new ATOM 0 HA THR A 37 -3.635 14.103 8.958 1.00 0.00 H new ATOM 0 HB THR A 37 -5.566 12.736 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.907 12.993 11.609 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.970 10.706 10.031 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.533 11.503 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.913 11.684 11.077 1.00 0.00 H new ATOM 614 N PRO A 38 -5.944 15.560 8.711 1.00 0.00 N ATOM 615 CA PRO A 38 -6.960 16.608 8.669 1.00 0.00 C ATOM 616 C PRO A 38 -8.108 16.332 9.640 1.00 0.00 C ATOM 617 O PRO A 38 -8.918 17.214 9.927 1.00 0.00 O ATOM 618 CB PRO A 38 -7.478 16.565 7.234 1.00 0.00 C ATOM 619 CG PRO A 38 -6.444 15.821 6.459 1.00 0.00 C ATOM 620 CD PRO A 38 -5.820 14.860 7.425 1.00 0.00 C ATOM 0 HA PRO A 38 -6.548 17.575 8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.444 16.064 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.618 17.570 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.892 15.293 5.617 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.698 16.502 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.340 13.902 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.779 14.655 7.175 1.00 0.00 H new ATOM 628 N GLU A 39 -8.178 15.100 10.140 1.00 0.00 N ATOM 629 CA GLU A 39 -9.248 14.706 11.040 1.00 0.00 C ATOM 630 C GLU A 39 -8.818 14.905 12.484 1.00 0.00 C ATOM 631 O GLU A 39 -9.610 15.325 13.328 1.00 0.00 O ATOM 632 CB GLU A 39 -9.644 13.239 10.825 1.00 0.00 C ATOM 633 CG GLU A 39 -10.114 12.908 9.415 1.00 0.00 C ATOM 634 CD GLU A 39 -8.972 12.815 8.425 1.00 0.00 C ATOM 635 OE1 GLU A 39 -8.094 11.947 8.617 1.00 0.00 O ATOM 636 OE2 GLU A 39 -8.943 13.615 7.468 1.00 0.00 O ATOM 0 H GLU A 39 -7.505 14.362 9.935 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.112 15.334 10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.790 12.607 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.438 12.984 11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.655 11.962 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.817 13.672 9.082 1.00 0.00 H new ATOM 643 N THR A 40 -7.557 14.621 12.762 1.00 0.00 N ATOM 644 CA THR A 40 -7.049 14.708 14.117 1.00 0.00 C ATOM 645 C THR A 40 -6.550 16.114 14.437 1.00 0.00 C ATOM 646 O THR A 40 -6.496 16.512 15.601 1.00 0.00 O ATOM 647 CB THR A 40 -5.928 13.679 14.354 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.122 13.556 13.176 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.509 12.322 14.723 1.00 0.00 C ATOM 0 H THR A 40 -6.869 14.329 12.068 1.00 0.00 H new ATOM 0 HA THR A 40 -7.877 14.481 14.788 1.00 0.00 H new ATOM 0 HB THR A 40 -5.311 14.028 15.182 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.514 12.794 13.274 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.699 11.611 14.886 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.099 12.415 15.635 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.146 11.967 13.913 1.00 0.00 H new ATOM 657 N ASN A 41 -6.214 16.881 13.404 1.00 0.00 N ATOM 658 CA ASN A 41 -5.753 18.251 13.596 1.00 0.00 C ATOM 659 C ASN A 41 -6.499 19.212 12.679 1.00 0.00 C ATOM 660 O ASN A 41 -5.891 19.918 11.881 1.00 0.00 O ATOM 661 CB ASN A 41 -4.250 18.352 13.341 1.00 0.00 C ATOM 662 CG ASN A 41 -3.440 17.613 14.378 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.242 16.405 14.290 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.944 18.343 15.355 1.00 0.00 N ATOM 0 H ASN A 41 -6.252 16.579 12.431 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.957 18.530 14.630 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.024 17.950 12.353 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.955 19.401 13.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.370 17.907 16.077 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.133 19.345 15.390 1.00 0.00 H new ATOM 671 N PRO A 42 -7.831 19.292 12.816 1.00 0.00 N ATOM 672 CA PRO A 42 -8.669 20.096 11.926 1.00 0.00 C ATOM 673 C PRO A 42 -8.618 21.589 12.247 1.00 0.00 C ATOM 674 O PRO A 42 -9.636 22.283 12.193 1.00 0.00 O ATOM 675 CB PRO A 42 -10.071 19.536 12.175 1.00 0.00 C ATOM 676 CG PRO A 42 -10.043 19.057 13.585 1.00 0.00 C ATOM 677 CD PRO A 42 -8.627 18.618 13.860 1.00 0.00 C ATOM 0 HA PRO A 42 -8.341 20.031 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.834 20.301 12.032 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.301 18.724 11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.343 19.850 14.270 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.740 18.231 13.728 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.305 18.913 14.859 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.527 17.534 13.800 1.00 0.00 H new ATOM 685 N ARG A 43 -7.431 22.082 12.592 1.00 0.00 N ATOM 686 CA ARG A 43 -7.261 23.498 12.889 1.00 0.00 C ATOM 687 C ARG A 43 -5.936 24.049 12.361 1.00 0.00 C ATOM 688 O ARG A 43 -5.769 25.263 12.253 1.00 0.00 O ATOM 689 CB ARG A 43 -7.365 23.751 14.394 1.00 0.00 C ATOM 690 CG ARG A 43 -6.185 23.250 15.215 1.00 0.00 C ATOM 691 CD ARG A 43 -6.317 21.780 15.575 1.00 0.00 C ATOM 692 NE ARG A 43 -5.245 21.353 16.472 1.00 0.00 N ATOM 693 CZ ARG A 43 -5.150 20.141 17.018 1.00 0.00 C ATOM 694 NH1 ARG A 43 -6.055 19.208 16.759 1.00 0.00 N ATOM 695 NH2 ARG A 43 -4.141 19.865 17.829 1.00 0.00 N ATOM 0 H ARG A 43 -6.580 21.525 12.672 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.066 24.025 12.376 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.475 24.823 14.560 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.274 23.276 14.765 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.263 23.403 14.654 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.104 23.840 16.128 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.282 21.605 16.050 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.295 21.178 14.667 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.517 22.031 16.696 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.836 19.414 16.135 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.971 18.284 17.183 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.441 20.578 18.033 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.063 18.939 18.250 1.00 0.00 H new ATOM 709 N ALA A 44 -4.998 23.173 12.019 1.00 0.00 N ATOM 710 CA ALA A 44 -3.690 23.619 11.564 1.00 0.00 C ATOM 711 C ALA A 44 -3.612 23.575 10.046 1.00 0.00 C ATOM 712 O ALA A 44 -2.534 23.672 9.471 1.00 0.00 O ATOM 713 CB ALA A 44 -2.585 22.779 12.187 1.00 0.00 C ATOM 0 H ALA A 44 -5.118 22.161 12.048 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.549 24.651 11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.616 23.131 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.628 22.868 13.272 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.718 21.735 11.903 1.00 0.00 H new ATOM 719 N GLY A 45 -4.768 23.403 9.415 1.00 0.00 N ATOM 720 CA GLY A 45 -4.866 23.498 7.972 1.00 0.00 C ATOM 721 C GLY A 45 -4.169 22.363 7.254 1.00 0.00 C ATOM 722 O GLY A 45 -3.521 22.574 6.234 1.00 0.00 O ATOM 0 H GLY A 45 -5.649 23.197 9.885 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.918 23.510 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.436 24.445 7.646 1.00 0.00 H new ATOM 726 N LEU A 46 -4.294 21.157 7.779 1.00 0.00 N ATOM 727 CA LEU A 46 -3.660 20.007 7.161 1.00 0.00 C ATOM 728 C LEU A 46 -4.506 19.489 6.013 1.00 0.00 C ATOM 729 O LEU A 46 -5.535 18.848 6.221 1.00 0.00 O ATOM 730 CB LEU A 46 -3.405 18.889 8.176 1.00 0.00 C ATOM 731 CG LEU A 46 -2.490 19.275 9.342 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.276 19.928 10.456 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.734 18.069 9.863 1.00 0.00 C ATOM 0 H LEU A 46 -4.824 20.950 8.625 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.694 20.332 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.362 18.558 8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.966 18.038 7.655 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.765 19.997 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.602 20.192 11.271 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.760 20.829 10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.033 19.235 10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.092 18.372 10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.443 17.317 10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.123 17.650 9.064 1.00 0.00 H new ATOM 745 N GLU A 47 -4.089 19.814 4.804 1.00 0.00 N ATOM 746 CA GLU A 47 -4.725 19.310 3.618 1.00 0.00 C ATOM 747 C GLU A 47 -3.701 18.674 2.697 1.00 0.00 C ATOM 748 O GLU A 47 -2.569 19.155 2.597 1.00 0.00 O ATOM 749 CB GLU A 47 -5.453 20.426 2.888 1.00 0.00 C ATOM 750 CG GLU A 47 -4.742 21.768 2.913 1.00 0.00 C ATOM 751 CD GLU A 47 -5.536 22.834 2.192 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.361 22.983 0.966 1.00 0.00 O ATOM 753 OE2 GLU A 47 -6.362 23.509 2.847 1.00 0.00 O ATOM 0 H GLU A 47 -3.300 20.435 4.624 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.451 18.553 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.601 20.127 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.443 20.546 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.577 22.073 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.761 21.669 2.449 1.00 0.00 H new ATOM 760 N LYS A 48 -4.104 17.589 2.052 1.00 0.00 N ATOM 761 CA LYS A 48 -3.268 16.895 1.085 1.00 0.00 C ATOM 762 C LYS A 48 -1.930 16.507 1.693 1.00 0.00 C ATOM 763 O LYS A 48 -1.888 15.735 2.647 1.00 0.00 O ATOM 764 CB LYS A 48 -3.064 17.744 -0.168 1.00 0.00 C ATOM 765 CG LYS A 48 -4.334 17.916 -0.983 1.00 0.00 C ATOM 766 CD LYS A 48 -4.970 16.569 -1.295 1.00 0.00 C ATOM 767 CE LYS A 48 -6.296 16.718 -2.022 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.133 17.296 -3.382 1.00 0.00 N ATOM 0 H LYS A 48 -5.022 17.165 2.185 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.785 15.979 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.690 18.726 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.298 17.283 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.041 18.537 -0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.106 18.438 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.287 15.979 -1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.126 16.018 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.777 15.743 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.959 17.355 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.057 17.331 -3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.746 18.258 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.482 16.703 -3.935 1.00 0.00 H new ATOM 782 N ASN A 49 -0.850 17.067 1.169 1.00 0.00 N ATOM 783 CA ASN A 49 0.474 16.773 1.677 1.00 0.00 C ATOM 784 C ASN A 49 1.297 18.045 1.810 1.00 0.00 C ATOM 785 O ASN A 49 2.521 17.995 1.923 1.00 0.00 O ATOM 786 CB ASN A 49 1.187 15.761 0.776 1.00 0.00 C ATOM 787 CG ASN A 49 1.483 16.271 -0.622 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.738 17.082 -1.181 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.577 15.792 -1.197 1.00 0.00 N ATOM 0 H ASN A 49 -0.868 17.727 0.392 1.00 0.00 H new ATOM 0 HA ASN A 49 0.366 16.333 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.124 15.468 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.573 14.863 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.832 16.092 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.164 15.123 -0.698 1.00 0.00 H new ATOM 796 N TYR A 50 0.616 19.186 1.806 1.00 0.00 N ATOM 797 CA TYR A 50 1.295 20.470 2.001 1.00 0.00 C ATOM 798 C TYR A 50 1.855 20.522 3.413 1.00 0.00 C ATOM 799 O TYR A 50 1.131 20.251 4.367 1.00 0.00 O ATOM 800 CB TYR A 50 0.339 21.648 1.817 1.00 0.00 C ATOM 801 CG TYR A 50 -0.532 21.584 0.584 1.00 0.00 C ATOM 802 CD1 TYR A 50 -0.017 21.842 -0.678 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.881 21.288 0.693 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.827 21.802 -1.798 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.698 21.251 -0.415 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.168 21.509 -1.660 1.00 0.00 C ATOM 807 OH TYR A 50 -2.986 21.488 -2.765 1.00 0.00 O ATOM 0 H TYR A 50 -0.393 19.253 1.672 1.00 0.00 H new ATOM 0 HA TYR A 50 2.088 20.548 1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.305 21.713 2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.923 22.567 1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.031 22.077 -0.787 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.300 21.082 1.667 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.412 21.999 -2.775 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.748 21.021 -0.308 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.900 21.263 -2.491 1.00 0.00 H new ATOM 817 N CYS A 51 3.122 20.886 3.543 1.00 0.00 N ATOM 818 CA CYS A 51 3.801 20.854 4.825 1.00 0.00 C ATOM 819 C CYS A 51 3.073 21.689 5.867 1.00 0.00 C ATOM 820 O CYS A 51 2.473 22.716 5.550 1.00 0.00 O ATOM 821 CB CYS A 51 5.229 21.345 4.666 1.00 0.00 C ATOM 822 SG CYS A 51 6.259 20.269 3.629 1.00 0.00 S ATOM 0 H CYS A 51 3.702 21.209 2.769 1.00 0.00 H new ATOM 0 HA CYS A 51 3.808 19.822 5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.214 22.345 4.233 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.686 21.431 5.652 1.00 0.00 H new ATOM 827 N ARG A 52 3.140 21.243 7.111 1.00 0.00 N ATOM 828 CA ARG A 52 2.431 21.888 8.213 1.00 0.00 C ATOM 829 C ARG A 52 3.177 21.626 9.509 1.00 0.00 C ATOM 830 O ARG A 52 3.984 20.705 9.584 1.00 0.00 O ATOM 831 CB ARG A 52 0.996 21.350 8.320 1.00 0.00 C ATOM 832 CG ARG A 52 0.090 21.753 7.162 1.00 0.00 C ATOM 833 CD ARG A 52 -0.428 23.176 7.325 1.00 0.00 C ATOM 834 NE ARG A 52 -0.169 24.037 6.160 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.629 23.813 4.922 1.00 0.00 C ATOM 836 NH1 ARG A 52 -1.347 22.734 4.649 1.00 0.00 N ATOM 837 NH2 ARG A 52 -0.367 24.683 3.957 1.00 0.00 N ATOM 0 H ARG A 52 3.685 20.426 7.389 1.00 0.00 H new ATOM 0 HA ARG A 52 2.383 22.961 8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.031 20.262 8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.555 21.705 9.252 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.639 21.670 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.752 21.063 7.101 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.502 23.143 7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.034 23.623 8.206 1.00 0.00 H new ATOM 0 HE ARG A 52 0.405 24.868 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.556 22.061 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.691 22.576 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.183 25.518 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.715 24.517 3.013 1.00 0.00 H new ATOM 851 N ASN A 53 2.937 22.438 10.522 1.00 0.00 N ATOM 852 CA ASN A 53 3.533 22.200 11.817 1.00 0.00 C ATOM 853 C ASN A 53 2.447 22.162 12.893 1.00 0.00 C ATOM 854 O ASN A 53 2.225 23.154 13.590 1.00 0.00 O ATOM 855 CB ASN A 53 4.554 23.292 12.128 1.00 0.00 C ATOM 856 CG ASN A 53 5.561 22.859 13.173 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.353 21.866 13.870 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.637 23.624 13.315 1.00 0.00 N ATOM 0 H ASN A 53 2.337 23.262 10.471 1.00 0.00 H new ATOM 0 HA ASN A 53 4.044 21.237 11.804 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.079 23.566 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.033 24.184 12.476 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.333 23.398 14.025 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.767 24.438 12.714 1.00 0.00 H new ATOM 865 N PRO A 54 1.743 21.019 13.034 1.00 0.00 N ATOM 866 CA PRO A 54 0.679 20.856 14.031 1.00 0.00 C ATOM 867 C PRO A 54 1.177 21.054 15.455 1.00 0.00 C ATOM 868 O PRO A 54 0.446 21.544 16.318 1.00 0.00 O ATOM 869 CB PRO A 54 0.200 19.415 13.843 1.00 0.00 C ATOM 870 CG PRO A 54 0.659 19.018 12.488 1.00 0.00 C ATOM 871 CD PRO A 54 1.915 19.807 12.222 1.00 0.00 C ATOM 0 HA PRO A 54 -0.106 21.599 13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.618 18.760 14.607 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.885 19.348 13.925 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.855 17.947 12.442 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.103 19.235 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.806 19.252 12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.021 20.046 11.164 1.00 0.00 H new ATOM 879 N ASP A 55 2.432 20.696 15.690 1.00 0.00 N ATOM 880 CA ASP A 55 3.019 20.807 17.015 1.00 0.00 C ATOM 881 C ASP A 55 3.639 22.173 17.194 1.00 0.00 C ATOM 882 O ASP A 55 3.788 22.670 18.308 1.00 0.00 O ATOM 883 CB ASP A 55 4.102 19.749 17.241 1.00 0.00 C ATOM 884 CG ASP A 55 3.572 18.335 17.217 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.056 17.870 18.256 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.698 17.674 16.170 1.00 0.00 O ATOM 0 H ASP A 55 3.062 20.326 14.979 1.00 0.00 H new ATOM 0 HA ASP A 55 2.218 20.654 17.739 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.869 19.855 16.474 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.584 19.932 18.201 1.00 0.00 H new ATOM 891 N GLY A 56 3.981 22.773 16.067 1.00 0.00 N ATOM 892 CA GLY A 56 4.725 24.006 16.068 1.00 0.00 C ATOM 893 C GLY A 56 6.120 23.793 16.582 1.00 0.00 C ATOM 894 O GLY A 56 6.609 24.546 17.424 1.00 0.00 O ATOM 0 H GLY A 56 3.751 22.419 15.139 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.764 24.412 15.057 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.214 24.743 16.688 1.00 0.00 H new ATOM 898 N ASP A 57 6.744 22.741 16.068 1.00 0.00 N ATOM 899 CA ASP A 57 8.125 22.429 16.368 1.00 0.00 C ATOM 900 C ASP A 57 8.976 23.670 16.206 1.00 0.00 C ATOM 901 O ASP A 57 8.858 24.382 15.204 1.00 0.00 O ATOM 902 CB ASP A 57 8.644 21.347 15.423 1.00 0.00 C ATOM 903 CG ASP A 57 9.971 20.777 15.874 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.997 21.460 15.710 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.995 19.640 16.395 1.00 0.00 O ATOM 0 H ASP A 57 6.300 22.081 15.429 1.00 0.00 H new ATOM 0 HA ASP A 57 8.182 22.069 17.395 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.910 20.544 15.356 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.752 21.764 14.422 1.00 0.00 H new ATOM 910 N VAL A 58 9.831 23.901 17.195 1.00 0.00 N ATOM 911 CA VAL A 58 10.691 25.079 17.259 1.00 0.00 C ATOM 912 C VAL A 58 11.652 25.139 16.067 1.00 0.00 C ATOM 913 O VAL A 58 12.274 26.170 15.797 1.00 0.00 O ATOM 914 CB VAL A 58 11.497 25.063 18.580 1.00 0.00 C ATOM 915 CG1 VAL A 58 12.381 26.292 18.723 1.00 0.00 C ATOM 916 CG2 VAL A 58 10.559 24.936 19.771 1.00 0.00 C ATOM 0 H VAL A 58 9.949 23.268 17.986 1.00 0.00 H new ATOM 0 HA VAL A 58 10.055 25.964 17.223 1.00 0.00 H new ATOM 0 HB VAL A 58 12.154 24.194 18.552 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.928 26.239 19.664 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.088 26.330 17.894 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.762 27.189 18.714 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.141 24.926 20.693 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.872 25.782 19.785 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.992 24.009 19.690 1.00 0.00 H new ATOM 926 N GLY A 59 11.721 24.047 15.327 1.00 0.00 N ATOM 927 CA GLY A 59 12.664 23.932 14.247 1.00 0.00 C ATOM 928 C GLY A 59 12.020 24.186 12.909 1.00 0.00 C ATOM 929 O GLY A 59 12.712 24.305 11.893 1.00 0.00 O ATOM 0 H GLY A 59 11.129 23.227 15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.478 24.641 14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.105 22.935 14.254 1.00 0.00 H new ATOM 933 N GLY A 60 10.692 24.248 12.887 1.00 0.00 N ATOM 934 CA GLY A 60 10.011 24.566 11.657 1.00 0.00 C ATOM 935 C GLY A 60 9.014 23.502 11.282 1.00 0.00 C ATOM 936 O GLY A 60 8.852 22.523 12.015 1.00 0.00 O ATOM 0 H GLY A 60 10.086 24.085 13.691 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.500 25.523 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.741 24.680 10.856 1.00 0.00 H new ATOM 940 N PRO A 61 8.346 23.654 10.137 1.00 0.00 N ATOM 941 CA PRO A 61 7.271 22.766 9.736 1.00 0.00 C ATOM 942 C PRO A 61 7.796 21.431 9.266 1.00 0.00 C ATOM 943 O PRO A 61 8.980 21.279 8.951 1.00 0.00 O ATOM 944 CB PRO A 61 6.607 23.512 8.590 1.00 0.00 C ATOM 945 CG PRO A 61 7.710 24.287 7.987 1.00 0.00 C ATOM 946 CD PRO A 61 8.612 24.682 9.123 1.00 0.00 C ATOM 0 HA PRO A 61 6.592 22.538 10.558 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.161 22.825 7.871 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.809 24.163 8.946 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.249 23.690 7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.330 25.167 7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.659 24.689 8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.380 25.681 9.492 1.00 0.00 H new ATOM 954 N TRP A 62 6.905 20.481 9.185 1.00 0.00 N ATOM 955 CA TRP A 62 7.273 19.128 8.903 1.00 0.00 C ATOM 956 C TRP A 62 6.144 18.449 8.167 1.00 0.00 C ATOM 957 O TRP A 62 5.175 19.091 7.758 1.00 0.00 O ATOM 958 CB TRP A 62 7.583 18.392 10.211 1.00 0.00 C ATOM 959 CG TRP A 62 6.450 18.423 11.188 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.079 19.468 11.967 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.546 17.363 11.489 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.988 19.128 12.731 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.648 17.839 12.459 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.410 16.063 11.035 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.623 17.058 12.977 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.395 15.286 11.549 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.515 15.783 12.512 1.00 0.00 C ATOM 0 H TRP A 62 5.904 20.627 9.313 1.00 0.00 H new ATOM 0 HA TRP A 62 8.165 19.110 8.277 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.832 17.355 9.986 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.464 18.839 10.672 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.570 20.430 11.985 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.512 19.741 13.393 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.086 15.665 10.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.940 17.446 13.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.278 14.271 11.199 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.734 15.144 12.896 1.00 0.00 H new ATOM 978 N CYS A 63 6.288 17.166 7.992 1.00 0.00 N ATOM 979 CA CYS A 63 5.301 16.363 7.322 1.00 0.00 C ATOM 980 C CYS A 63 5.641 14.903 7.530 1.00 0.00 C ATOM 981 O CYS A 63 6.600 14.583 8.224 1.00 0.00 O ATOM 982 CB CYS A 63 5.272 16.710 5.833 1.00 0.00 C ATOM 983 SG CYS A 63 6.818 16.336 4.947 1.00 0.00 S ATOM 0 H CYS A 63 7.102 16.641 8.313 1.00 0.00 H new ATOM 0 HA CYS A 63 4.311 16.562 7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.455 16.165 5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.052 17.772 5.723 1.00 0.00 H new ATOM 988 N TYR A 64 4.864 14.025 6.943 1.00 0.00 N ATOM 989 CA TYR A 64 5.203 12.621 6.918 1.00 0.00 C ATOM 990 C TYR A 64 5.777 12.331 5.558 1.00 0.00 C ATOM 991 O TYR A 64 5.390 12.975 4.597 1.00 0.00 O ATOM 992 CB TYR A 64 3.980 11.764 7.224 1.00 0.00 C ATOM 993 CG TYR A 64 3.655 11.741 8.698 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.353 10.905 9.555 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.662 12.550 9.234 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.073 10.869 10.906 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.375 12.520 10.588 1.00 0.00 C ATOM 998 CZ TYR A 64 3.082 11.675 11.416 1.00 0.00 C ATOM 999 OH TYR A 64 2.794 11.634 12.757 1.00 0.00 O ATOM 0 H TYR A 64 3.989 14.258 6.474 1.00 0.00 H new ATOM 0 HA TYR A 64 5.937 12.378 7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.123 12.147 6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.155 10.746 6.876 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.131 10.270 9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.106 13.211 8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.629 10.212 11.559 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.601 13.155 10.993 1.00 0.00 H new ATOM 0 HH TYR A 64 3.128 12.448 13.188 1.00 0.00 H new ATOM 1009 N THR A 65 6.712 11.415 5.452 1.00 0.00 N ATOM 1010 CA THR A 65 7.411 11.269 4.195 1.00 0.00 C ATOM 1011 C THR A 65 6.897 10.060 3.454 1.00 0.00 C ATOM 1012 O THR A 65 6.479 9.083 4.070 1.00 0.00 O ATOM 1013 CB THR A 65 8.940 11.141 4.385 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.316 9.762 4.557 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.408 11.958 5.581 1.00 0.00 C ATOM 0 H THR A 65 7.000 10.778 6.195 1.00 0.00 H new ATOM 0 HA THR A 65 7.221 12.173 3.617 1.00 0.00 H new ATOM 0 HB THR A 65 9.422 11.529 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.241 9.518 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.487 11.852 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.161 13.008 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.912 11.600 6.483 1.00 0.00 H new ATOM 1023 N THR A 66 6.889 10.135 2.138 1.00 0.00 N ATOM 1024 CA THR A 66 6.631 8.961 1.331 1.00 0.00 C ATOM 1025 C THR A 66 7.913 8.134 1.164 1.00 0.00 C ATOM 1026 O THR A 66 8.036 7.330 0.241 1.00 0.00 O ATOM 1027 CB THR A 66 6.076 9.352 -0.052 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.948 10.309 -0.674 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.673 9.934 0.068 1.00 0.00 C ATOM 0 H THR A 66 7.057 10.990 1.608 1.00 0.00 H new ATOM 0 HA THR A 66 5.882 8.359 1.846 1.00 0.00 H new ATOM 0 HB THR A 66 6.023 8.453 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.856 11.176 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.304 10.202 -0.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.009 9.194 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.701 10.823 0.698 1.00 0.00 H new ATOM 1037 N ASN A 67 8.858 8.336 2.082 1.00 0.00 N ATOM 1038 CA ASN A 67 10.160 7.687 2.030 1.00 0.00 C ATOM 1039 C ASN A 67 10.185 6.484 2.966 1.00 0.00 C ATOM 1040 O ASN A 67 9.939 6.623 4.160 1.00 0.00 O ATOM 1041 CB ASN A 67 11.235 8.696 2.448 1.00 0.00 C ATOM 1042 CG ASN A 67 12.649 8.233 2.209 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.938 7.043 2.170 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.549 9.185 2.074 1.00 0.00 N ATOM 0 H ASN A 67 8.738 8.956 2.883 1.00 0.00 H new ATOM 0 HA ASN A 67 10.354 7.340 1.015 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.073 9.627 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.113 8.920 3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.530 8.943 1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.266 10.164 2.113 1.00 0.00 H new ATOM 1051 N PRO A 68 10.489 5.287 2.442 1.00 0.00 N ATOM 1052 CA PRO A 68 10.539 4.056 3.243 1.00 0.00 C ATOM 1053 C PRO A 68 11.673 4.051 4.267 1.00 0.00 C ATOM 1054 O PRO A 68 11.873 3.068 4.985 1.00 0.00 O ATOM 1055 CB PRO A 68 10.748 2.946 2.204 1.00 0.00 C ATOM 1056 CG PRO A 68 10.440 3.574 0.885 1.00 0.00 C ATOM 1057 CD PRO A 68 10.792 5.024 1.028 1.00 0.00 C ATOM 0 HA PRO A 68 9.632 3.937 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.771 2.570 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.092 2.098 2.398 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.018 3.109 0.086 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.387 3.451 0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.840 5.212 0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.201 5.653 0.362 1.00 0.00 H new ATOM 1065 N ARG A 69 12.413 5.143 4.323 1.00 0.00 N ATOM 1066 CA ARG A 69 13.468 5.313 5.304 1.00 0.00 C ATOM 1067 C ARG A 69 12.910 5.827 6.626 1.00 0.00 C ATOM 1068 O ARG A 69 13.176 5.265 7.689 1.00 0.00 O ATOM 1069 CB ARG A 69 14.494 6.302 4.769 1.00 0.00 C ATOM 1070 CG ARG A 69 15.342 5.748 3.641 1.00 0.00 C ATOM 1071 CD ARG A 69 16.358 4.742 4.156 1.00 0.00 C ATOM 1072 NE ARG A 69 17.308 5.355 5.085 1.00 0.00 N ATOM 1073 CZ ARG A 69 18.359 4.725 5.600 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.584 3.454 5.307 1.00 0.00 N ATOM 1075 NH2 ARG A 69 19.187 5.372 6.407 1.00 0.00 N ATOM 0 H ARG A 69 12.300 5.935 3.691 1.00 0.00 H new ATOM 0 HA ARG A 69 13.935 4.344 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.977 7.195 4.418 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.147 6.612 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.699 5.272 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.859 6.565 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.838 3.924 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.900 4.310 3.315 1.00 0.00 H new ATOM 0 HE ARG A 69 17.154 6.327 5.354 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.950 2.954 4.684 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.392 2.974 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.017 6.352 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.994 4.890 6.803 1.00 0.00 H new ATOM 1089 N LYS A 70 12.130 6.893 6.549 1.00 0.00 N ATOM 1090 CA LYS A 70 11.640 7.564 7.743 1.00 0.00 C ATOM 1091 C LYS A 70 10.131 7.784 7.673 1.00 0.00 C ATOM 1092 O LYS A 70 9.536 7.805 6.596 1.00 0.00 O ATOM 1093 CB LYS A 70 12.351 8.905 7.903 1.00 0.00 C ATOM 1094 CG LYS A 70 11.944 9.929 6.856 1.00 0.00 C ATOM 1095 CD LYS A 70 13.139 10.657 6.283 1.00 0.00 C ATOM 1096 CE LYS A 70 13.940 11.375 7.362 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.003 12.241 6.785 1.00 0.00 N ATOM 0 H LYS A 70 11.822 7.313 5.672 1.00 0.00 H new ATOM 0 HA LYS A 70 11.850 6.929 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.139 9.305 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.428 8.747 7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.403 9.430 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.259 10.650 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.783 9.946 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.801 11.380 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.268 11.982 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.393 10.640 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.714 12.451 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.458 11.749 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.581 13.129 6.446 1.00 0.00 H new ATOM 1111 N LEU A 71 9.536 7.986 8.832 1.00 0.00 N ATOM 1112 CA LEU A 71 8.094 8.164 8.943 1.00 0.00 C ATOM 1113 C LEU A 71 7.734 9.613 8.693 1.00 0.00 C ATOM 1114 O LEU A 71 6.819 9.916 7.929 1.00 0.00 O ATOM 1115 CB LEU A 71 7.618 7.730 10.336 1.00 0.00 C ATOM 1116 CG LEU A 71 6.123 7.902 10.607 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.310 6.918 9.782 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.831 7.733 12.089 1.00 0.00 C ATOM 0 H LEU A 71 10.032 8.032 9.722 1.00 0.00 H new ATOM 0 HA LEU A 71 7.599 7.544 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.876 6.681 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.172 8.298 11.083 1.00 0.00 H new ATOM 0 HG LEU A 71 5.833 8.910 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.249 7.058 9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.497 7.090 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.599 5.900 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.763 7.858 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.137 6.737 12.409 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.383 8.482 12.656 1.00 0.00 H new ATOM 1130 N TYR A 72 8.484 10.503 9.310 1.00 0.00 N ATOM 1131 CA TYR A 72 8.254 11.921 9.152 1.00 0.00 C ATOM 1132 C TYR A 72 9.580 12.660 9.136 1.00 0.00 C ATOM 1133 O TYR A 72 10.615 12.114 9.526 1.00 0.00 O ATOM 1134 CB TYR A 72 7.349 12.461 10.267 1.00 0.00 C ATOM 1135 CG TYR A 72 8.013 12.576 11.622 1.00 0.00 C ATOM 1136 CD1 TYR A 72 7.994 11.522 12.525 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.641 13.754 12.001 1.00 0.00 C ATOM 1138 CE1 TYR A 72 8.588 11.639 13.767 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.240 13.879 13.236 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.209 12.821 14.118 1.00 0.00 C ATOM 1141 OH TYR A 72 9.801 12.943 15.355 1.00 0.00 O ATOM 0 H TYR A 72 9.261 10.266 9.927 1.00 0.00 H new ATOM 0 HA TYR A 72 7.745 12.085 8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.981 13.444 9.973 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.480 11.810 10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.508 10.597 12.253 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.661 14.588 11.316 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.567 10.810 14.459 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.731 14.801 13.511 1.00 0.00 H new ATOM 0 HH TYR A 72 10.194 13.836 15.443 1.00 0.00 H new ATOM 1151 N ASP A 73 9.535 13.893 8.680 1.00 0.00 N ATOM 1152 CA ASP A 73 10.725 14.726 8.556 1.00 0.00 C ATOM 1153 C ASP A 73 10.293 16.180 8.490 1.00 0.00 C ATOM 1154 O ASP A 73 9.105 16.466 8.464 1.00 0.00 O ATOM 1155 CB ASP A 73 11.513 14.342 7.295 1.00 0.00 C ATOM 1156 CG ASP A 73 12.947 14.851 7.277 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.358 15.547 8.230 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.676 14.525 6.315 1.00 0.00 O ATOM 0 H ASP A 73 8.674 14.352 8.383 1.00 0.00 H new ATOM 0 HA ASP A 73 11.375 14.575 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.524 13.256 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.990 14.731 6.421 1.00 0.00 H new ATOM 1163 N TYR A 74 11.245 17.083 8.453 1.00 0.00 N ATOM 1164 CA TYR A 74 10.953 18.508 8.411 1.00 0.00 C ATOM 1165 C TYR A 74 10.942 18.990 6.976 1.00 0.00 C ATOM 1166 O TYR A 74 11.539 18.361 6.113 1.00 0.00 O ATOM 1167 CB TYR A 74 12.001 19.293 9.194 1.00 0.00 C ATOM 1168 CG TYR A 74 11.956 19.061 10.684 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.609 17.977 11.257 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.269 19.932 11.521 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.577 17.767 12.620 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.233 19.726 12.883 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.888 18.644 13.428 1.00 0.00 C ATOM 1174 OH TYR A 74 11.862 18.443 14.787 1.00 0.00 O ATOM 0 H TYR A 74 12.240 16.859 8.451 1.00 0.00 H new ATOM 0 HA TYR A 74 9.974 18.671 8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.991 19.025 8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.865 20.357 8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.150 17.288 10.626 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.756 20.783 11.098 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.089 16.920 13.051 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.693 20.410 13.521 1.00 0.00 H new ATOM 0 HH TYR A 74 10.966 18.644 15.130 1.00 0.00 H new ATOM 1184 N CYS A 75 10.266 20.099 6.725 1.00 0.00 N ATOM 1185 CA CYS A 75 10.228 20.687 5.397 1.00 0.00 C ATOM 1186 C CYS A 75 11.094 21.933 5.348 1.00 0.00 C ATOM 1187 O CYS A 75 11.498 22.459 6.385 1.00 0.00 O ATOM 1188 CB CYS A 75 8.798 21.044 5.006 1.00 0.00 C ATOM 1189 SG CYS A 75 7.672 19.627 4.927 1.00 0.00 S ATOM 0 H CYS A 75 9.734 20.612 7.428 1.00 0.00 H new ATOM 0 HA CYS A 75 10.614 19.952 4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.407 21.765 5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.812 21.537 4.034 1.00 0.00 H new ATOM 1194 N ASP A 76 11.350 22.419 4.149 1.00 0.00 N ATOM 1195 CA ASP A 76 12.181 23.597 3.971 1.00 0.00 C ATOM 1196 C ASP A 76 11.373 24.712 3.324 1.00 0.00 C ATOM 1197 O ASP A 76 11.523 25.005 2.140 1.00 0.00 O ATOM 1198 CB ASP A 76 13.418 23.269 3.128 1.00 0.00 C ATOM 1199 CG ASP A 76 14.362 24.452 2.997 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.066 24.769 3.981 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.406 25.074 1.915 1.00 0.00 O ATOM 0 H ASP A 76 10.995 22.017 3.282 1.00 0.00 H new ATOM 0 HA ASP A 76 12.521 23.933 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.950 22.432 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.103 22.948 2.135 1.00 0.00 H new ATOM 1206 N VAL A 77 10.470 25.295 4.093 1.00 0.00 N ATOM 1207 CA VAL A 77 9.702 26.427 3.613 1.00 0.00 C ATOM 1208 C VAL A 77 10.174 27.724 4.267 1.00 0.00 C ATOM 1209 O VAL A 77 10.331 27.803 5.485 1.00 0.00 O ATOM 1210 CB VAL A 77 8.190 26.225 3.836 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.892 25.796 5.252 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.418 27.480 3.488 1.00 0.00 C ATOM 0 H VAL A 77 10.252 25.005 5.046 1.00 0.00 H new ATOM 0 HA VAL A 77 9.871 26.501 2.539 1.00 0.00 H new ATOM 0 HB VAL A 77 7.867 25.426 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.817 25.663 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.400 24.855 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.243 26.560 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.354 27.311 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.757 28.302 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.586 27.732 2.441 1.00 0.00 H new ATOM 1222 N PRO A 78 10.442 28.735 3.431 1.00 0.00 N ATOM 1223 CA PRO A 78 10.907 30.063 3.858 1.00 0.00 C ATOM 1224 C PRO A 78 9.991 30.741 4.858 1.00 0.00 C ATOM 1225 O PRO A 78 8.799 30.443 4.960 1.00 0.00 O ATOM 1226 CB PRO A 78 10.944 30.874 2.551 1.00 0.00 C ATOM 1227 CG PRO A 78 10.172 30.068 1.557 1.00 0.00 C ATOM 1228 CD PRO A 78 10.341 28.644 1.970 1.00 0.00 C ATOM 0 HA PRO A 78 11.865 29.987 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.498 31.859 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.969 31.032 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.120 30.353 1.555 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.547 30.229 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.494 28.031 1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.234 28.199 1.530 1.00 0.00 H new ATOM 1236 N GLN A 79 10.577 31.666 5.595 1.00 0.00 N ATOM 1237 CA GLN A 79 9.867 32.402 6.610 1.00 0.00 C ATOM 1238 C GLN A 79 8.970 33.462 5.986 1.00 0.00 C ATOM 1239 O GLN A 79 9.439 34.417 5.367 1.00 0.00 O ATOM 1240 CB GLN A 79 10.853 33.036 7.590 1.00 0.00 C ATOM 1241 CG GLN A 79 10.176 33.805 8.693 1.00 0.00 C ATOM 1242 CD GLN A 79 9.247 32.930 9.497 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.209 33.393 9.945 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.608 31.654 9.666 1.00 0.00 N ATOM 0 H GLN A 79 11.559 31.924 5.502 1.00 0.00 H new ATOM 0 HA GLN A 79 9.231 31.706 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.474 32.255 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.519 33.705 7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.930 34.236 9.351 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.614 34.635 8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.486 31.316 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.006 31.019 10.189 1.00 0.00 H new ATOM 1253 N CYS A 80 7.677 33.262 6.149 1.00 0.00 N ATOM 1254 CA CYS A 80 6.670 34.182 5.661 1.00 0.00 C ATOM 1255 C CYS A 80 6.612 35.396 6.563 1.00 0.00 C ATOM 1256 O CYS A 80 6.569 36.534 6.096 1.00 0.00 O ATOM 1257 CB CYS A 80 5.308 33.491 5.649 1.00 0.00 C ATOM 1258 SG CYS A 80 4.257 33.907 4.226 1.00 0.00 S ATOM 0 H CYS A 80 7.293 32.448 6.629 1.00 0.00 H new ATOM 0 HA CYS A 80 6.927 34.494 4.649 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.463 32.412 5.666 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.776 33.751 6.564 1.00 0.00 H new ATOM 1263 N ALA A 81 6.633 35.137 7.864 1.00 0.00 N ATOM 1264 CA ALA A 81 6.551 36.200 8.854 1.00 0.00 C ATOM 1265 C ALA A 81 7.928 36.783 9.119 1.00 0.00 C ATOM 1266 O ALA A 81 8.472 36.657 10.215 1.00 0.00 O ATOM 1267 CB ALA A 81 5.930 35.688 10.144 1.00 0.00 C ATOM 0 H ALA A 81 6.706 34.199 8.257 1.00 0.00 H new ATOM 0 HA ALA A 81 5.911 36.989 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.878 36.499 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.925 35.317 9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.541 34.880 10.546 1.00 0.00 H new