USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 770 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 105 SER OG : rot -28:sc= 1.1 USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.961 K(o=2.1,f=-6.2!) USER MOD Set 2.1: A 61 ASN : amide:sc= 1.49 K(o=2.3,f=-6.6!) USER MOD Set 2.2: A 84 THR OG1 : rot 22:sc= 0.823 USER MOD Set 3.1: A 15 MET CE :methyl -164:sc= -2.13 (180deg=-3.21!) USER MOD Set 3.2: A 49 SER OG : rot -53:sc= -0.554 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0.523 USER MOD Set 4.2: A 35 GLN : amide:sc= -0.532 K(o=-0.0084,f=-0.93) USER MOD Set 5.1: A 27 HIS : no HD1:sc= -1.55! C(o=-0.82!,f=-9.9!) USER MOD Set 5.2: A 54 GLN : amide:sc= 0.724 K(o=-0.82,f=-1.7) USER MOD Single : A 13 CYS SG : rot 140:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= 0.00474 (180deg=-0.31) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0.721 (180deg=0.693) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 39 SER OG : rot 4:sc= 1.14 USER MOD Single : A 44 SER OG : rot -96:sc= 1.7 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.104 USER MOD Single : A 65 MET CE :methyl -157:sc= -3.02 (180deg=-4.72!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 1.08 K(o=1.1,f=-0.051) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0.855 (180deg=0.677) USER MOD Single : A 93 THR OG1 : rot 123:sc= 0.145 USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.0355 (180deg=-0.287) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 84:sc= 0.89 USER MOD Single : A 106 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.0041) USER MOD Single : A 110 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -7.625 -7.716 -1.189 1.00 0.80 N ATOM 107 CA LEU A 8 -7.975 -6.327 -1.485 1.00 0.56 C ATOM 108 C LEU A 8 -7.719 -5.397 -0.308 1.00 0.48 C ATOM 109 O LEU A 8 -8.264 -4.294 -0.244 1.00 0.47 O ATOM 110 CB LEU A 8 -9.428 -6.223 -1.921 1.00 0.47 C ATOM 111 CG LEU A 8 -9.782 -7.030 -3.164 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.244 -6.855 -3.485 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.921 -6.602 -4.343 1.00 0.72 C ATOM 0 HA LEU A 8 -7.326 -6.007 -2.301 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.064 -6.551 -1.099 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.663 -5.175 -2.107 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.587 -8.084 -2.968 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.493 -7.434 -4.375 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.845 -7.204 -2.645 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.453 -5.801 -3.668 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.189 -7.190 -5.221 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -9.087 -5.545 -4.550 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.870 -6.765 -4.104 1.00 0.72 H new ATOM 125 N ARG A 9 -6.890 -5.838 0.617 1.00 0.52 N ATOM 126 CA ARG A 9 -6.468 -4.992 1.712 1.00 0.51 C ATOM 127 C ARG A 9 -4.975 -4.737 1.584 1.00 0.43 C ATOM 128 O ARG A 9 -4.282 -5.484 0.891 1.00 0.47 O ATOM 129 CB ARG A 9 -6.807 -5.623 3.070 1.00 0.69 C ATOM 130 CG ARG A 9 -6.126 -6.952 3.338 1.00 1.15 C ATOM 131 CD ARG A 9 -6.476 -7.467 4.722 1.00 1.21 C ATOM 132 NE ARG A 9 -5.957 -8.810 4.963 1.00 1.84 N ATOM 133 CZ ARG A 9 -6.415 -9.613 5.922 1.00 2.23 C ATOM 134 NH1 ARG A 9 -7.377 -9.190 6.733 1.00 2.21 N ATOM 135 NH2 ARG A 9 -5.902 -10.824 6.083 1.00 3.09 N ATOM 0 H ARG A 9 -6.496 -6.779 0.631 1.00 0.52 H new ATOM 0 HA ARG A 9 -7.005 -4.045 1.662 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.532 -4.923 3.859 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.886 -5.764 3.131 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.431 -7.680 2.586 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -5.046 -6.836 3.250 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -6.076 -6.785 5.472 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -7.559 -7.472 4.842 1.00 1.21 H new ATOM 0 HE ARG A 9 -5.204 -9.151 4.366 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.763 -8.253 6.621 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -7.730 -9.802 7.468 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -5.152 -11.146 5.471 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -6.257 -11.434 6.819 1.00 3.09 H new ATOM 149 N PRO A 10 -4.457 -3.681 2.226 1.00 0.36 N ATOM 150 CA PRO A 10 -3.044 -3.333 2.122 1.00 0.30 C ATOM 151 C PRO A 10 -2.145 -4.433 2.677 1.00 0.28 C ATOM 152 O PRO A 10 -2.609 -5.366 3.338 1.00 0.38 O ATOM 153 CB PRO A 10 -2.921 -2.049 2.953 1.00 0.29 C ATOM 154 CG PRO A 10 -4.093 -2.066 3.864 1.00 0.47 C ATOM 155 CD PRO A 10 -5.187 -2.763 3.110 1.00 0.40 C ATOM 0 HA PRO A 10 -2.727 -3.203 1.087 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.986 -2.030 3.513 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.929 -1.165 2.316 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.861 -2.591 4.790 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.390 -1.054 4.138 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.859 -3.299 3.780 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.797 -2.059 2.544 1.00 0.40 H new ATOM 163 N ARG A 11 -0.866 -4.329 2.393 1.00 0.29 N ATOM 164 CA ARG A 11 0.102 -5.305 2.855 1.00 0.34 C ATOM 165 C ARG A 11 1.265 -4.609 3.552 1.00 0.27 C ATOM 166 O ARG A 11 1.754 -3.578 3.083 1.00 0.27 O ATOM 167 CB ARG A 11 0.569 -6.147 1.665 1.00 0.49 C ATOM 168 CG ARG A 11 0.934 -5.316 0.442 1.00 0.63 C ATOM 169 CD ARG A 11 0.789 -6.102 -0.848 1.00 1.00 C ATOM 170 NE ARG A 11 1.548 -7.344 -0.813 1.00 1.22 N ATOM 171 CZ ARG A 11 2.791 -7.467 -1.269 1.00 1.59 C ATOM 172 NH1 ARG A 11 3.394 -6.437 -1.846 1.00 1.95 N ATOM 173 NH2 ARG A 11 3.418 -8.630 -1.168 1.00 2.37 N ATOM 0 H ARG A 11 -0.467 -3.571 1.839 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.357 -5.969 3.587 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.434 -6.738 1.965 1.00 0.49 H new ATOM 0 HB3 ARG A 11 -0.219 -6.850 1.395 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.296 -4.433 0.401 1.00 0.63 H new ATOM 0 HG3 ARG A 11 1.961 -4.964 0.537 1.00 0.63 H new ATOM 0 HD2 ARG A 11 -0.264 -6.324 -1.022 1.00 1.00 H new ATOM 0 HD3 ARG A 11 1.128 -5.492 -1.685 1.00 1.00 H new ATOM 0 HE ARG A 11 1.099 -8.169 -0.415 1.00 1.22 H new ATOM 0 HH11 ARG A 11 2.904 -5.547 -1.941 1.00 1.95 H new ATOM 0 HH12 ARG A 11 4.348 -6.534 -2.195 1.00 1.95 H new ATOM 0 HH21 ARG A 11 2.947 -9.428 -0.741 1.00 2.37 H new ATOM 0 HH22 ARG A 11 4.372 -8.727 -1.517 1.00 2.37 H new ATOM 187 N LEU A 12 1.677 -5.158 4.688 1.00 0.29 N ATOM 188 CA LEU A 12 2.722 -4.550 5.500 1.00 0.26 C ATOM 189 C LEU A 12 4.068 -5.187 5.189 1.00 0.25 C ATOM 190 O LEU A 12 4.266 -6.387 5.400 1.00 0.32 O ATOM 191 CB LEU A 12 2.420 -4.718 6.993 1.00 0.34 C ATOM 192 CG LEU A 12 2.446 -3.431 7.832 1.00 0.60 C ATOM 193 CD1 LEU A 12 2.424 -3.768 9.315 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.657 -2.573 7.503 1.00 1.28 C ATOM 0 H LEU A 12 1.301 -6.027 5.068 1.00 0.29 H new ATOM 0 HA LEU A 12 2.755 -3.487 5.261 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.436 -5.176 7.096 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.142 -5.418 7.414 1.00 0.34 H new ATOM 0 HG LEU A 12 1.555 -2.855 7.584 1.00 0.60 H new ATOM 0 HD11 LEU A 12 2.443 -2.847 9.898 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.517 -4.326 9.548 1.00 1.32 H new ATOM 0 HD13 LEU A 12 3.296 -4.373 9.564 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.642 -1.672 8.116 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.568 -3.135 7.708 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.631 -2.296 6.449 1.00 1.28 H new ATOM 206 N CYS A 13 4.978 -4.391 4.673 1.00 0.23 N ATOM 207 CA CYS A 13 6.328 -4.845 4.430 1.00 0.25 C ATOM 208 C CYS A 13 7.245 -4.332 5.532 1.00 0.22 C ATOM 209 O CYS A 13 7.411 -3.126 5.702 1.00 0.24 O ATOM 210 CB CYS A 13 6.807 -4.356 3.064 1.00 0.29 C ATOM 211 SG CYS A 13 5.784 -4.926 1.686 1.00 0.40 S ATOM 0 H CYS A 13 4.805 -3.420 4.412 1.00 0.23 H new ATOM 0 HA CYS A 13 6.349 -5.935 4.432 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.825 -3.266 3.064 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.832 -4.692 2.907 1.00 0.29 H new ATOM 0 HG CYS A 13 5.640 -3.963 0.825 1.00 0.40 H new ATOM 217 N THR A 14 7.821 -5.249 6.288 1.00 0.23 N ATOM 218 CA THR A 14 8.705 -4.882 7.382 1.00 0.24 C ATOM 219 C THR A 14 10.138 -5.233 7.013 1.00 0.22 C ATOM 220 O THR A 14 10.450 -6.395 6.737 1.00 0.25 O ATOM 221 CB THR A 14 8.312 -5.610 8.682 1.00 0.31 C ATOM 222 OG1 THR A 14 6.914 -5.421 8.936 1.00 0.35 O ATOM 223 CG2 THR A 14 9.114 -5.088 9.868 1.00 0.35 C ATOM 0 H THR A 14 7.693 -6.254 6.165 1.00 0.23 H new ATOM 0 HA THR A 14 8.616 -3.809 7.552 1.00 0.24 H new ATOM 0 HB THR A 14 8.529 -6.671 8.557 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.666 -5.886 9.762 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.816 -5.620 10.771 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.177 -5.248 9.687 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.924 -4.022 9.995 1.00 0.35 H new ATOM 231 N MET A 15 11.001 -4.234 6.987 1.00 0.20 N ATOM 232 CA MET A 15 12.370 -4.433 6.548 1.00 0.19 C ATOM 233 C MET A 15 13.360 -3.745 7.476 1.00 0.21 C ATOM 234 O MET A 15 13.194 -2.581 7.838 1.00 0.21 O ATOM 235 CB MET A 15 12.547 -3.904 5.128 1.00 0.21 C ATOM 236 CG MET A 15 11.997 -2.503 4.942 1.00 0.24 C ATOM 237 SD MET A 15 10.327 -2.477 4.264 1.00 0.88 S ATOM 238 CE MET A 15 10.635 -3.100 2.621 1.00 0.28 C ATOM 0 H MET A 15 10.779 -3.278 7.264 1.00 0.20 H new ATOM 0 HA MET A 15 12.572 -5.504 6.569 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.607 -3.908 4.875 1.00 0.21 H new ATOM 0 HB3 MET A 15 12.050 -4.579 4.431 1.00 0.21 H new ATOM 0 HG2 MET A 15 12.000 -1.989 5.903 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.659 -1.945 4.280 1.00 0.24 H new ATOM 0 HE1 MET A 15 9.778 -2.884 1.983 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.523 -2.619 2.210 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.793 -4.178 2.664 1.00 0.28 H new ATOM 248 N LYS A 16 14.396 -4.475 7.838 1.00 0.29 N ATOM 249 CA LYS A 16 15.460 -3.950 8.679 1.00 0.37 C ATOM 250 C LYS A 16 16.671 -3.604 7.818 1.00 0.40 C ATOM 251 O LYS A 16 16.948 -4.280 6.830 1.00 0.48 O ATOM 252 CB LYS A 16 15.835 -4.988 9.742 1.00 0.50 C ATOM 253 CG LYS A 16 17.072 -4.629 10.547 1.00 0.90 C ATOM 254 CD LYS A 16 17.446 -5.736 11.517 1.00 1.09 C ATOM 255 CE LYS A 16 18.855 -5.543 12.056 1.00 1.96 C ATOM 256 NZ LYS A 16 19.883 -5.725 10.993 1.00 2.58 N ATOM 0 H LYS A 16 14.527 -5.448 7.560 1.00 0.29 H new ATOM 0 HA LYS A 16 15.118 -3.044 9.180 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.994 -5.114 10.424 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.998 -5.949 9.255 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.905 -4.440 9.870 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.893 -3.706 11.098 1.00 0.90 H new ATOM 0 HD2 LYS A 16 16.737 -5.753 12.344 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.375 -6.701 11.016 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.947 -4.545 12.484 1.00 1.96 H new ATOM 0 HE3 LYS A 16 19.036 -6.253 12.863 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 20.805 -5.924 11.432 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 19.612 -6.521 10.381 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 19.951 -4.858 10.423 1.00 2.58 H new ATOM 270 N LYS A 17 17.374 -2.538 8.174 1.00 0.41 N ATOM 271 CA LYS A 17 18.568 -2.143 7.452 1.00 0.50 C ATOM 272 C LYS A 17 19.660 -3.192 7.610 1.00 0.60 C ATOM 273 O LYS A 17 20.178 -3.411 8.709 1.00 0.67 O ATOM 274 CB LYS A 17 19.074 -0.796 7.952 1.00 0.51 C ATOM 275 CG LYS A 17 19.343 0.193 6.836 1.00 0.52 C ATOM 276 CD LYS A 17 19.895 1.506 7.368 1.00 0.53 C ATOM 277 CE LYS A 17 18.898 2.212 8.276 1.00 0.62 C ATOM 278 NZ LYS A 17 19.519 3.338 9.027 1.00 0.92 N ATOM 0 H LYS A 17 17.135 -1.933 8.960 1.00 0.41 H new ATOM 0 HA LYS A 17 18.311 -2.055 6.396 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.340 -0.371 8.636 1.00 0.51 H new ATOM 0 HB3 LYS A 17 19.990 -0.948 8.522 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.051 -0.240 6.129 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.420 0.382 6.287 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.817 1.316 7.918 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.151 2.158 6.533 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.069 2.590 7.678 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.480 1.494 8.982 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.832 3.723 9.706 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.356 2.994 9.539 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.804 4.084 8.361 1.00 0.92 H new ATOM 292 N GLY A 18 19.982 -3.845 6.510 1.00 0.68 N ATOM 293 CA GLY A 18 21.056 -4.814 6.504 1.00 0.85 C ATOM 294 C GLY A 18 22.120 -4.450 5.491 1.00 1.05 C ATOM 295 O GLY A 18 22.955 -3.589 5.758 1.00 1.28 O ATOM 0 H GLY A 18 19.515 -3.721 5.612 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.501 -4.872 7.497 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.656 -5.802 6.275 1.00 0.85 H new ATOM 299 N PRO A 19 22.100 -5.083 4.308 1.00 1.24 N ATOM 300 CA PRO A 19 23.054 -4.789 3.235 1.00 1.57 C ATOM 301 C PRO A 19 22.890 -3.372 2.684 1.00 1.57 C ATOM 302 O PRO A 19 21.999 -3.111 1.868 1.00 2.23 O ATOM 303 CB PRO A 19 22.725 -5.830 2.157 1.00 1.91 C ATOM 304 CG PRO A 19 21.327 -6.259 2.444 1.00 1.86 C ATOM 305 CD PRO A 19 21.158 -6.149 3.932 1.00 1.40 C ATOM 0 HA PRO A 19 24.085 -4.839 3.586 1.00 1.57 H new ATOM 0 HB2 PRO A 19 22.809 -5.403 1.158 1.00 1.91 H new ATOM 0 HB3 PRO A 19 23.413 -6.674 2.201 1.00 1.91 H new ATOM 0 HG2 PRO A 19 20.610 -5.626 1.922 1.00 1.86 H new ATOM 0 HG3 PRO A 19 21.155 -7.281 2.106 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.133 -5.892 4.201 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.394 -7.088 4.433 1.00 1.40 H new ATOM 313 N SER A 20 23.734 -2.466 3.175 1.00 1.40 N ATOM 314 CA SER A 20 23.805 -1.076 2.713 1.00 1.65 C ATOM 315 C SER A 20 22.587 -0.246 3.151 1.00 1.43 C ATOM 316 O SER A 20 22.737 0.869 3.657 1.00 1.93 O ATOM 317 CB SER A 20 23.980 -1.019 1.189 1.00 2.14 C ATOM 318 OG SER A 20 24.287 0.296 0.754 1.00 2.87 O ATOM 0 H SER A 20 24.400 -2.678 3.918 1.00 1.40 H new ATOM 0 HA SER A 20 24.680 -0.629 3.186 1.00 1.65 H new ATOM 0 HB2 SER A 20 24.776 -1.699 0.887 1.00 2.14 H new ATOM 0 HB3 SER A 20 23.066 -1.361 0.703 1.00 2.14 H new ATOM 0 HG SER A 20 24.394 0.302 -0.220 1.00 2.87 H new ATOM 324 N GLY A 21 21.389 -0.778 2.966 1.00 1.04 N ATOM 325 CA GLY A 21 20.199 -0.038 3.317 1.00 0.94 C ATOM 326 C GLY A 21 18.956 -0.571 2.641 1.00 0.97 C ATOM 327 O GLY A 21 18.529 -0.035 1.622 1.00 1.93 O ATOM 0 H GLY A 21 21.221 -1.707 2.580 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.062 -0.071 4.398 1.00 0.94 H new ATOM 0 HA3 GLY A 21 20.334 1.009 3.045 1.00 0.94 H new ATOM 331 N TYR A 22 18.389 -1.632 3.218 1.00 0.74 N ATOM 332 CA TYR A 22 17.130 -2.226 2.751 1.00 0.70 C ATOM 333 C TYR A 22 17.294 -2.890 1.381 1.00 0.89 C ATOM 334 O TYR A 22 17.431 -4.110 1.300 1.00 1.82 O ATOM 335 CB TYR A 22 16.009 -1.178 2.702 1.00 0.64 C ATOM 336 CG TYR A 22 15.862 -0.375 3.976 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.662 -1.011 5.195 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.916 1.014 3.962 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.523 -0.289 6.363 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.779 1.742 5.130 1.00 0.54 C ATOM 341 CZ TYR A 22 15.604 1.117 6.310 1.00 0.46 C ATOM 342 OH TYR A 22 15.442 1.806 7.491 1.00 0.59 O ATOM 0 H TYR A 22 18.790 -2.107 4.026 1.00 0.74 H new ATOM 0 HA TYR A 22 16.853 -2.998 3.470 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.200 -0.495 1.874 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.065 -1.680 2.490 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.614 -2.089 5.229 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.067 1.532 3.026 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.355 -0.794 7.303 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.813 2.821 5.095 1.00 0.54 H new ATOM 0 HH TYR A 22 15.521 2.768 7.322 1.00 0.59 H new ATOM 352 N GLY A 23 17.281 -2.099 0.318 1.00 0.43 N ATOM 353 CA GLY A 23 17.451 -2.642 -1.017 1.00 0.42 C ATOM 354 C GLY A 23 16.162 -2.651 -1.817 1.00 0.39 C ATOM 355 O GLY A 23 15.591 -3.711 -2.083 1.00 0.39 O ATOM 0 H GLY A 23 17.155 -1.087 0.355 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.200 -2.056 -1.550 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.835 -3.659 -0.944 1.00 0.42 H new ATOM 359 N PHE A 24 15.701 -1.466 -2.190 1.00 0.37 N ATOM 360 CA PHE A 24 14.542 -1.317 -3.061 1.00 0.36 C ATOM 361 C PHE A 24 14.601 0.030 -3.768 1.00 0.38 C ATOM 362 O PHE A 24 15.212 0.976 -3.265 1.00 0.40 O ATOM 363 CB PHE A 24 13.226 -1.452 -2.278 1.00 0.34 C ATOM 364 CG PHE A 24 13.006 -0.385 -1.238 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.530 -0.527 0.037 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.287 0.763 -1.538 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.339 0.450 0.994 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.094 1.744 -0.583 1.00 0.36 C ATOM 369 CZ PHE A 24 12.580 1.581 0.682 1.00 0.36 C ATOM 0 H PHE A 24 16.118 -0.582 -1.899 1.00 0.37 H new ATOM 0 HA PHE A 24 14.567 -2.117 -3.801 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.395 -1.432 -2.983 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.206 -2.427 -1.790 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.095 -1.413 0.285 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.874 0.892 -2.528 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.773 0.341 1.977 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.556 2.644 -0.839 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.379 2.324 1.440 1.00 0.36 H new ATOM 379 N ASN A 25 13.977 0.118 -4.928 1.00 0.43 N ATOM 380 CA ASN A 25 13.977 1.357 -5.691 1.00 0.46 C ATOM 381 C ASN A 25 12.559 1.877 -5.887 1.00 0.42 C ATOM 382 O ASN A 25 11.661 1.129 -6.274 1.00 0.39 O ATOM 383 CB ASN A 25 14.662 1.155 -7.046 1.00 0.51 C ATOM 384 CG ASN A 25 16.153 0.890 -6.913 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.959 1.821 -6.900 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.530 -0.379 -6.818 1.00 1.65 N ATOM 0 H ASN A 25 13.465 -0.649 -5.363 1.00 0.43 H new ATOM 0 HA ASN A 25 14.538 2.101 -5.125 1.00 0.46 H new ATOM 0 HB2 ASN A 25 14.193 0.319 -7.565 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.508 2.040 -7.663 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.519 -0.612 -6.730 1.00 1.65 H new ATOM 0 HD22 ASN A 25 15.831 -1.121 -6.833 1.00 1.65 H new ATOM 393 N LEU A 26 12.366 3.157 -5.608 1.00 0.50 N ATOM 394 CA LEU A 26 11.071 3.800 -5.771 1.00 0.52 C ATOM 395 C LEU A 26 11.046 4.613 -7.055 1.00 0.55 C ATOM 396 O LEU A 26 11.981 5.362 -7.341 1.00 0.73 O ATOM 397 CB LEU A 26 10.780 4.720 -4.584 1.00 0.69 C ATOM 398 CG LEU A 26 10.637 4.025 -3.230 1.00 0.87 C ATOM 399 CD1 LEU A 26 10.501 5.053 -2.120 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.438 3.091 -3.240 1.00 1.48 C ATOM 0 H LEU A 26 13.099 3.777 -5.264 1.00 0.50 H new ATOM 0 HA LEU A 26 10.307 3.024 -5.819 1.00 0.52 H new ATOM 0 HB2 LEU A 26 11.581 5.455 -4.512 1.00 0.69 H new ATOM 0 HB3 LEU A 26 9.861 5.269 -4.789 1.00 0.69 H new ATOM 0 HG LEU A 26 11.534 3.434 -3.045 1.00 0.87 H new ATOM 0 HD11 LEU A 26 10.400 4.543 -1.162 1.00 1.52 H new ATOM 0 HD12 LEU A 26 11.387 5.688 -2.101 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.618 5.667 -2.299 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.349 2.603 -2.269 1.00 1.48 H new ATOM 0 HD22 LEU A 26 8.533 3.663 -3.443 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.571 2.336 -4.015 1.00 1.48 H new ATOM 412 N HIS A 27 9.982 4.472 -7.831 1.00 0.56 N ATOM 413 CA HIS A 27 9.855 5.230 -9.063 1.00 0.67 C ATOM 414 C HIS A 27 8.607 6.095 -9.032 1.00 0.68 C ATOM 415 O HIS A 27 7.553 5.669 -8.555 1.00 0.95 O ATOM 416 CB HIS A 27 9.857 4.314 -10.302 1.00 1.23 C ATOM 417 CG HIS A 27 8.535 3.707 -10.692 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.728 4.236 -11.680 1.00 0.97 N ATOM 419 CD2 HIS A 27 7.909 2.587 -10.263 1.00 0.81 C ATOM 420 CE1 HIS A 27 6.665 3.468 -11.835 1.00 1.30 C ATOM 421 NE2 HIS A 27 6.751 2.459 -10.991 1.00 1.34 N ATOM 0 H HIS A 27 9.202 3.846 -7.631 1.00 0.56 H new ATOM 0 HA HIS A 27 10.726 5.880 -9.140 1.00 0.67 H new ATOM 0 HB2 HIS A 27 10.232 4.888 -11.150 1.00 1.23 H new ATOM 0 HB3 HIS A 27 10.565 3.504 -10.126 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.256 1.917 -9.490 1.00 0.81 H new ATOM 0 HE1 HIS A 27 5.861 3.638 -12.535 1.00 1.30 H new ATOM 0 HE2 HIS A 27 6.069 1.706 -10.894 1.00 1.34 H new ATOM 430 N SER A 28 8.740 7.307 -9.531 1.00 0.75 N ATOM 431 CA SER A 28 7.628 8.229 -9.609 1.00 1.14 C ATOM 432 C SER A 28 7.207 8.375 -11.063 1.00 1.03 C ATOM 433 O SER A 28 8.052 8.534 -11.945 1.00 1.34 O ATOM 434 CB SER A 28 8.034 9.577 -9.018 1.00 1.74 C ATOM 435 OG SER A 28 8.533 9.413 -7.699 1.00 2.30 O ATOM 0 H SER A 28 9.619 7.678 -9.892 1.00 0.75 H new ATOM 0 HA SER A 28 6.783 7.848 -9.035 1.00 1.14 H new ATOM 0 HB2 SER A 28 8.795 10.041 -9.646 1.00 1.74 H new ATOM 0 HB3 SER A 28 7.176 10.249 -9.007 1.00 1.74 H new ATOM 0 HG SER A 28 8.790 10.286 -7.335 1.00 2.30 H new ATOM 529 N GLN A 35 4.480 7.312 -5.463 1.00 0.74 N ATOM 530 CA GLN A 35 5.650 6.452 -5.494 1.00 0.59 C ATOM 531 C GLN A 35 5.233 5.009 -5.712 1.00 0.52 C ATOM 532 O GLN A 35 4.358 4.489 -5.013 1.00 0.58 O ATOM 533 CB GLN A 35 6.448 6.561 -4.190 1.00 0.58 C ATOM 534 CG GLN A 35 7.383 7.763 -4.104 1.00 0.82 C ATOM 535 CD GLN A 35 6.682 9.095 -4.301 1.00 0.75 C ATOM 536 OE1 GLN A 35 6.144 9.669 -3.359 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.727 9.621 -5.516 1.00 0.78 N ATOM 0 HA GLN A 35 6.284 6.778 -6.319 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.748 6.604 -3.356 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.037 5.652 -4.065 1.00 0.58 H new ATOM 0 HG2 GLN A 35 7.875 7.761 -3.131 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.165 7.659 -4.856 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.183 9.114 -6.275 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.306 10.533 -5.693 1.00 0.78 H new ATOM 546 N PHE A 36 5.848 4.371 -6.688 1.00 0.47 N ATOM 547 CA PHE A 36 5.609 2.964 -6.939 1.00 0.43 C ATOM 548 C PHE A 36 6.928 2.222 -6.842 1.00 0.39 C ATOM 549 O PHE A 36 7.982 2.786 -7.144 1.00 0.45 O ATOM 550 CB PHE A 36 5.005 2.748 -8.332 1.00 0.48 C ATOM 551 CG PHE A 36 3.695 3.443 -8.573 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.659 4.789 -8.910 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.500 2.748 -8.483 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.458 5.426 -9.150 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.296 3.382 -8.721 1.00 0.81 C ATOM 556 CZ PHE A 36 1.275 4.722 -9.054 1.00 0.87 C ATOM 0 H PHE A 36 6.519 4.806 -7.322 1.00 0.47 H new ATOM 0 HA PHE A 36 4.902 2.588 -6.199 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.722 3.089 -9.079 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.865 1.678 -8.489 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.582 5.345 -8.985 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.510 1.700 -8.224 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.444 6.474 -9.412 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.371 2.830 -8.647 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.334 5.218 -9.239 1.00 0.87 H new ATOM 566 N ILE A 37 6.875 0.975 -6.416 1.00 0.36 N ATOM 567 CA ILE A 37 8.073 0.160 -6.330 1.00 0.33 C ATOM 568 C ILE A 37 8.591 -0.142 -7.727 1.00 0.33 C ATOM 569 O ILE A 37 7.979 -0.893 -8.484 1.00 0.38 O ATOM 570 CB ILE A 37 7.811 -1.163 -5.586 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.144 -0.892 -4.235 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.115 -1.930 -5.397 1.00 0.33 C ATOM 573 CD1 ILE A 37 7.978 -0.053 -3.292 1.00 0.38 C ATOM 0 H ILE A 37 6.018 0.504 -6.125 1.00 0.36 H new ATOM 0 HA ILE A 37 8.817 0.724 -5.767 1.00 0.33 H new ATOM 0 HB ILE A 37 7.136 -1.773 -6.186 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.192 -0.389 -4.406 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.920 -1.845 -3.755 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.915 -2.863 -4.870 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.552 -2.150 -6.371 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.811 -1.326 -4.815 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.435 0.093 -2.358 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.920 -0.562 -3.088 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.181 0.915 -3.749 1.00 0.38 H new ATOM 585 N ARG A 38 9.717 0.473 -8.062 1.00 0.34 N ATOM 586 CA ARG A 38 10.337 0.296 -9.364 1.00 0.41 C ATOM 587 C ARG A 38 10.799 -1.145 -9.478 1.00 0.40 C ATOM 588 O ARG A 38 10.427 -1.862 -10.405 1.00 0.49 O ATOM 589 CB ARG A 38 11.520 1.270 -9.495 1.00 0.50 C ATOM 590 CG ARG A 38 11.939 1.609 -10.923 1.00 0.67 C ATOM 591 CD ARG A 38 12.872 0.573 -11.523 1.00 1.24 C ATOM 592 NE ARG A 38 12.159 -0.455 -12.272 1.00 1.56 N ATOM 593 CZ ARG A 38 12.767 -1.422 -12.954 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.092 -1.501 -12.947 1.00 2.83 N ATOM 595 NH2 ARG A 38 12.052 -2.310 -13.632 1.00 2.62 N ATOM 0 H ARG A 38 10.223 1.105 -7.441 1.00 0.34 H new ATOM 0 HA ARG A 38 9.631 0.508 -10.167 1.00 0.41 H new ATOM 0 HB2 ARG A 38 11.264 2.196 -8.981 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.378 0.844 -8.975 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.050 1.695 -11.547 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.430 2.582 -10.932 1.00 0.67 H new ATOM 0 HD2 ARG A 38 13.585 1.069 -12.182 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.448 0.103 -10.726 1.00 1.24 H new ATOM 0 HE ARG A 38 11.139 -0.431 -12.273 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.641 -0.822 -12.420 1.00 2.83 H new ATOM 0 HH12 ARG A 38 14.562 -2.241 -13.469 1.00 2.83 H new ATOM 0 HH21 ARG A 38 11.034 -2.252 -13.631 1.00 2.62 H new ATOM 0 HH22 ARG A 38 12.521 -3.050 -14.154 1.00 2.62 H new ATOM 609 N SER A 39 11.589 -1.556 -8.503 1.00 0.36 N ATOM 610 CA SER A 39 12.044 -2.926 -8.386 1.00 0.40 C ATOM 611 C SER A 39 12.637 -3.141 -7.013 1.00 0.32 C ATOM 612 O SER A 39 13.370 -2.287 -6.510 1.00 0.37 O ATOM 613 CB SER A 39 13.094 -3.266 -9.449 1.00 0.54 C ATOM 614 OG SER A 39 12.502 -3.433 -10.723 1.00 1.26 O ATOM 0 H SER A 39 11.935 -0.942 -7.765 1.00 0.36 H new ATOM 0 HA SER A 39 11.185 -3.580 -8.537 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.839 -2.472 -9.494 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.618 -4.179 -9.167 1.00 0.54 H new ATOM 0 HG SER A 39 11.544 -3.237 -10.667 1.00 1.26 H new ATOM 620 N VAL A 40 12.288 -4.248 -6.389 1.00 0.36 N ATOM 621 CA VAL A 40 12.968 -4.658 -5.183 1.00 0.30 C ATOM 622 C VAL A 40 14.074 -5.632 -5.563 1.00 0.31 C ATOM 623 O VAL A 40 13.825 -6.652 -6.209 1.00 0.37 O ATOM 624 CB VAL A 40 12.006 -5.286 -4.143 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.317 -6.531 -4.685 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.749 -5.599 -2.856 1.00 0.32 C ATOM 0 H VAL A 40 11.543 -4.874 -6.696 1.00 0.36 H new ATOM 0 HA VAL A 40 13.391 -3.775 -4.703 1.00 0.30 H new ATOM 0 HB VAL A 40 11.227 -4.554 -3.930 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.652 -6.939 -3.924 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.738 -6.270 -5.571 1.00 0.37 H new ATOM 0 HG13 VAL A 40 12.067 -7.276 -4.949 1.00 0.37 H new ATOM 0 HG21 VAL A 40 12.060 -6.039 -2.136 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.555 -6.302 -3.063 1.00 0.32 H new ATOM 0 HG23 VAL A 40 13.166 -4.680 -2.444 1.00 0.32 H new ATOM 636 N ASP A 41 15.294 -5.293 -5.210 1.00 0.35 N ATOM 637 CA ASP A 41 16.434 -6.096 -5.602 1.00 0.45 C ATOM 638 C ASP A 41 16.537 -7.323 -4.712 1.00 0.48 C ATOM 639 O ASP A 41 16.622 -7.209 -3.491 1.00 0.51 O ATOM 640 CB ASP A 41 17.716 -5.265 -5.556 1.00 0.54 C ATOM 641 CG ASP A 41 17.738 -4.196 -6.638 1.00 1.27 C ATOM 642 OD1 ASP A 41 17.871 -4.549 -7.835 1.00 2.28 O ATOM 643 OD2 ASP A 41 17.609 -3.002 -6.304 1.00 1.32 O ATOM 0 H ASP A 41 15.523 -4.469 -4.654 1.00 0.35 H new ATOM 0 HA ASP A 41 16.295 -6.433 -6.629 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.808 -4.793 -4.578 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.578 -5.921 -5.676 1.00 0.54 H new ATOM 648 N PRO A 42 16.496 -8.516 -5.328 1.00 0.58 N ATOM 649 CA PRO A 42 16.503 -9.798 -4.613 1.00 0.69 C ATOM 650 C PRO A 42 17.697 -9.941 -3.682 1.00 0.69 C ATOM 651 O PRO A 42 18.733 -9.309 -3.889 1.00 1.17 O ATOM 652 CB PRO A 42 16.576 -10.844 -5.731 1.00 0.84 C ATOM 653 CG PRO A 42 17.001 -10.094 -6.945 1.00 0.93 C ATOM 654 CD PRO A 42 16.448 -8.711 -6.782 1.00 0.69 C ATOM 0 HA PRO A 42 15.626 -9.901 -3.973 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.288 -11.632 -5.486 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.609 -11.324 -5.884 1.00 0.84 H new ATOM 0 HG2 PRO A 42 18.087 -10.073 -7.032 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.618 -10.565 -7.850 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.048 -7.970 -7.310 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.432 -8.633 -7.168 1.00 0.69 H new ATOM 662 N ASP A 43 17.539 -10.787 -2.669 1.00 0.75 N ATOM 663 CA ASP A 43 18.564 -10.996 -1.646 1.00 0.87 C ATOM 664 C ASP A 43 18.689 -9.735 -0.795 1.00 0.70 C ATOM 665 O ASP A 43 19.772 -9.184 -0.601 1.00 0.86 O ATOM 666 CB ASP A 43 19.913 -11.380 -2.275 1.00 1.14 C ATOM 667 CG ASP A 43 20.882 -11.960 -1.267 1.00 1.69 C ATOM 668 OD1 ASP A 43 20.745 -13.155 -0.934 1.00 1.92 O ATOM 669 OD2 ASP A 43 21.785 -11.234 -0.804 1.00 2.40 O ATOM 0 H ASP A 43 16.698 -11.348 -2.532 1.00 0.75 H new ATOM 0 HA ASP A 43 18.264 -11.828 -1.009 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.745 -12.106 -3.071 1.00 1.14 H new ATOM 0 HB3 ASP A 43 20.359 -10.499 -2.736 1.00 1.14 H new ATOM 674 N SER A 44 17.551 -9.276 -0.308 1.00 0.57 N ATOM 675 CA SER A 44 17.489 -8.091 0.522 1.00 0.48 C ATOM 676 C SER A 44 16.370 -8.243 1.542 1.00 0.40 C ATOM 677 O SER A 44 15.417 -9.001 1.316 1.00 0.39 O ATOM 678 CB SER A 44 17.233 -6.857 -0.350 1.00 0.47 C ATOM 679 OG SER A 44 15.955 -6.925 -0.960 1.00 0.46 O ATOM 0 H SER A 44 16.646 -9.715 -0.477 1.00 0.57 H new ATOM 0 HA SER A 44 18.438 -7.966 1.043 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.302 -5.956 0.259 1.00 0.47 H new ATOM 0 HB3 SER A 44 18.003 -6.783 -1.118 1.00 0.47 H new ATOM 0 HG SER A 44 16.045 -7.282 -1.868 1.00 0.46 H new ATOM 685 N PRO A 45 16.475 -7.546 2.685 1.00 0.43 N ATOM 686 CA PRO A 45 15.412 -7.518 3.690 1.00 0.45 C ATOM 687 C PRO A 45 14.125 -6.913 3.134 1.00 0.38 C ATOM 688 O PRO A 45 13.030 -7.209 3.610 1.00 0.39 O ATOM 689 CB PRO A 45 15.982 -6.640 4.807 1.00 0.57 C ATOM 690 CG PRO A 45 17.088 -5.868 4.175 1.00 0.65 C ATOM 691 CD PRO A 45 17.645 -6.752 3.099 1.00 0.52 C ATOM 0 HA PRO A 45 15.143 -8.519 4.028 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.220 -5.975 5.212 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.349 -7.246 5.635 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.721 -4.930 3.759 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.855 -5.614 4.907 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.053 -6.172 2.271 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.450 -7.384 3.473 1.00 0.52 H new ATOM 699 N ALA A 46 14.268 -6.065 2.118 1.00 0.35 N ATOM 700 CA ALA A 46 13.117 -5.478 1.451 1.00 0.33 C ATOM 701 C ALA A 46 12.382 -6.534 0.636 1.00 0.30 C ATOM 702 O ALA A 46 11.159 -6.605 0.652 1.00 0.31 O ATOM 703 CB ALA A 46 13.540 -4.324 0.562 1.00 0.36 C ATOM 0 H ALA A 46 15.170 -5.772 1.742 1.00 0.35 H new ATOM 0 HA ALA A 46 12.441 -5.091 2.213 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.663 -3.901 0.073 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.024 -3.557 1.167 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.238 -4.684 -0.194 1.00 0.36 H new ATOM 709 N GLU A 47 13.136 -7.361 -0.071 1.00 0.31 N ATOM 710 CA GLU A 47 12.554 -8.443 -0.854 1.00 0.33 C ATOM 711 C GLU A 47 11.950 -9.490 0.079 1.00 0.34 C ATOM 712 O GLU A 47 10.906 -10.078 -0.211 1.00 0.40 O ATOM 713 CB GLU A 47 13.630 -9.053 -1.756 1.00 0.40 C ATOM 714 CG GLU A 47 13.151 -10.181 -2.659 1.00 0.53 C ATOM 715 CD GLU A 47 13.681 -11.531 -2.224 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.914 -11.716 -2.214 1.00 1.51 O ATOM 717 OE2 GLU A 47 12.862 -12.423 -1.898 1.00 2.01 O ATOM 0 H GLU A 47 14.153 -7.305 -0.120 1.00 0.31 H new ATOM 0 HA GLU A 47 11.755 -8.057 -1.486 1.00 0.33 H new ATOM 0 HB2 GLU A 47 14.051 -8.263 -2.379 1.00 0.40 H new ATOM 0 HB3 GLU A 47 14.438 -9.429 -1.129 1.00 0.40 H new ATOM 0 HG2 GLU A 47 12.061 -10.204 -2.660 1.00 0.53 H new ATOM 0 HG3 GLU A 47 13.467 -9.982 -3.683 1.00 0.53 H new ATOM 724 N ALA A 48 12.600 -9.684 1.219 1.00 0.34 N ATOM 725 CA ALA A 48 12.142 -10.643 2.214 1.00 0.38 C ATOM 726 C ALA A 48 10.918 -10.128 2.969 1.00 0.37 C ATOM 727 O ALA A 48 10.187 -10.904 3.586 1.00 0.47 O ATOM 728 CB ALA A 48 13.263 -10.959 3.187 1.00 0.44 C ATOM 0 H ALA A 48 13.452 -9.186 1.478 1.00 0.34 H new ATOM 0 HA ALA A 48 11.851 -11.554 1.691 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.911 -11.677 3.927 1.00 0.44 H new ATOM 0 HB2 ALA A 48 14.108 -11.383 2.644 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.577 -10.044 3.690 1.00 0.44 H new ATOM 734 N SER A 49 10.695 -8.819 2.921 1.00 0.31 N ATOM 735 CA SER A 49 9.544 -8.220 3.576 1.00 0.32 C ATOM 736 C SER A 49 8.265 -8.608 2.832 1.00 0.35 C ATOM 737 O SER A 49 7.159 -8.519 3.374 1.00 0.40 O ATOM 738 CB SER A 49 9.697 -6.695 3.622 1.00 0.32 C ATOM 739 OG SER A 49 9.362 -6.108 2.379 1.00 0.31 O ATOM 0 H SER A 49 11.298 -8.155 2.435 1.00 0.31 H new ATOM 0 HA SER A 49 9.481 -8.591 4.599 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.057 -6.286 4.404 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.723 -6.438 3.883 1.00 0.32 H new ATOM 0 HG SER A 49 9.876 -6.539 1.665 1.00 0.31 H new ATOM 745 N GLY A 50 8.429 -9.057 1.588 1.00 0.36 N ATOM 746 CA GLY A 50 7.290 -9.452 0.780 1.00 0.43 C ATOM 747 C GLY A 50 7.010 -8.465 -0.332 1.00 0.43 C ATOM 748 O GLY A 50 6.089 -8.654 -1.125 1.00 0.62 O ATOM 0 H GLY A 50 9.333 -9.154 1.126 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.475 -10.437 0.352 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.409 -9.541 1.415 1.00 0.43 H new ATOM 752 N LEU A 51 7.816 -7.415 -0.390 1.00 0.41 N ATOM 753 CA LEU A 51 7.662 -6.377 -1.398 1.00 0.40 C ATOM 754 C LEU A 51 7.844 -6.955 -2.803 1.00 0.48 C ATOM 755 O LEU A 51 8.711 -7.804 -3.024 1.00 0.65 O ATOM 756 CB LEU A 51 8.692 -5.277 -1.145 1.00 0.38 C ATOM 757 CG LEU A 51 8.476 -3.979 -1.921 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.182 -3.311 -1.479 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.661 -3.042 -1.720 1.00 0.37 C ATOM 0 H LEU A 51 8.590 -7.259 0.256 1.00 0.41 H new ATOM 0 HA LEU A 51 6.656 -5.962 -1.331 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.696 -5.046 -0.080 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.680 -5.666 -1.391 1.00 0.38 H new ATOM 0 HG LEU A 51 8.398 -4.212 -2.983 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.040 -2.387 -2.039 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.344 -3.982 -1.666 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.235 -3.085 -0.414 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.495 -2.121 -2.278 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.766 -2.810 -0.660 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.571 -3.524 -2.078 1.00 0.37 H new ATOM 771 N ARG A 52 7.016 -6.512 -3.738 1.00 0.53 N ATOM 772 CA ARG A 52 7.150 -6.925 -5.127 1.00 0.65 C ATOM 773 C ARG A 52 7.274 -5.694 -6.012 1.00 0.55 C ATOM 774 O ARG A 52 7.549 -4.600 -5.525 1.00 0.61 O ATOM 775 CB ARG A 52 5.962 -7.788 -5.577 1.00 0.86 C ATOM 776 CG ARG A 52 4.621 -7.080 -5.501 1.00 1.23 C ATOM 777 CD ARG A 52 3.525 -7.872 -6.191 1.00 2.05 C ATOM 778 NE ARG A 52 3.344 -9.203 -5.610 1.00 2.59 N ATOM 779 CZ ARG A 52 2.162 -9.705 -5.270 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.061 -8.980 -5.427 1.00 4.13 N ATOM 781 NH2 ARG A 52 2.074 -10.936 -4.781 1.00 4.38 N ATOM 0 H ARG A 52 6.246 -5.868 -3.560 1.00 0.53 H new ATOM 0 HA ARG A 52 8.049 -7.534 -5.218 1.00 0.65 H new ATOM 0 HB2 ARG A 52 6.131 -8.115 -6.603 1.00 0.86 H new ATOM 0 HB3 ARG A 52 5.923 -8.685 -4.959 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.352 -6.922 -4.457 1.00 1.23 H new ATOM 0 HG3 ARG A 52 4.703 -6.096 -5.962 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.587 -7.320 -6.126 1.00 2.05 H new ATOM 0 HD3 ARG A 52 3.764 -7.971 -7.250 1.00 2.05 H new ATOM 0 HE ARG A 52 4.173 -9.778 -5.457 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.122 -8.036 -5.809 1.00 4.13 H new ATOM 0 HH12 ARG A 52 0.154 -9.367 -5.166 1.00 4.13 H new ATOM 0 HH21 ARG A 52 2.916 -11.500 -4.665 1.00 4.38 H new ATOM 0 HH22 ARG A 52 1.165 -11.318 -4.521 1.00 4.38 H new ATOM 795 N ALA A 53 7.084 -5.867 -7.308 1.00 0.53 N ATOM 796 CA ALA A 53 7.172 -4.753 -8.230 1.00 0.54 C ATOM 797 C ALA A 53 5.826 -4.050 -8.371 1.00 0.61 C ATOM 798 O ALA A 53 4.772 -4.693 -8.388 1.00 1.44 O ATOM 799 CB ALA A 53 7.678 -5.227 -9.581 1.00 0.68 C ATOM 0 H ALA A 53 6.869 -6.764 -7.742 1.00 0.53 H new ATOM 0 HA ALA A 53 7.882 -4.031 -7.827 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.739 -4.380 -10.264 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.667 -5.671 -9.464 1.00 0.68 H new ATOM 0 HB3 ALA A 53 6.992 -5.971 -9.986 1.00 0.68 H new ATOM 805 N GLN A 54 5.891 -2.724 -8.448 1.00 0.65 N ATOM 806 CA GLN A 54 4.733 -1.865 -8.695 1.00 0.74 C ATOM 807 C GLN A 54 3.750 -1.837 -7.526 1.00 0.59 C ATOM 808 O GLN A 54 2.555 -1.598 -7.719 1.00 0.67 O ATOM 809 CB GLN A 54 4.013 -2.260 -9.986 1.00 0.99 C ATOM 810 CG GLN A 54 4.912 -2.276 -11.214 1.00 1.46 C ATOM 811 CD GLN A 54 5.705 -0.995 -11.395 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.275 0.094 -11.004 1.00 2.99 O ATOM 813 NE2 GLN A 54 6.872 -1.120 -11.998 1.00 3.06 N ATOM 0 H GLN A 54 6.763 -2.206 -8.339 1.00 0.65 H new ATOM 0 HA GLN A 54 5.127 -0.855 -8.805 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.573 -3.249 -9.857 1.00 0.99 H new ATOM 0 HB3 GLN A 54 3.191 -1.566 -10.159 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.603 -3.115 -11.138 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.301 -2.445 -12.101 1.00 1.46 H new ATOM 0 HE21 GLN A 54 7.191 -2.039 -12.306 1.00 3.06 H new ATOM 0 HE22 GLN A 54 7.455 -0.298 -12.156 1.00 3.06 H new ATOM 822 N ASP A 55 4.249 -2.078 -6.316 1.00 0.47 N ATOM 823 CA ASP A 55 3.466 -1.811 -5.115 1.00 0.45 C ATOM 824 C ASP A 55 3.327 -0.309 -4.959 1.00 0.39 C ATOM 825 O ASP A 55 4.261 0.437 -5.271 1.00 0.48 O ATOM 826 CB ASP A 55 4.126 -2.394 -3.859 1.00 0.50 C ATOM 827 CG ASP A 55 3.835 -3.866 -3.639 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.675 -4.205 -3.319 1.00 1.01 O ATOM 829 OD2 ASP A 55 4.758 -4.694 -3.812 1.00 1.02 O ATOM 0 H ASP A 55 5.181 -2.453 -6.143 1.00 0.47 H new ATOM 0 HA ASP A 55 2.491 -2.287 -5.224 1.00 0.45 H new ATOM 0 HB2 ASP A 55 5.205 -2.253 -3.929 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.787 -1.833 -2.988 1.00 0.50 H new ATOM 834 N ARG A 56 2.179 0.148 -4.501 1.00 0.38 N ATOM 835 CA ARG A 56 1.951 1.570 -4.371 1.00 0.42 C ATOM 836 C ARG A 56 1.939 1.950 -2.899 1.00 0.39 C ATOM 837 O ARG A 56 1.226 1.344 -2.099 1.00 0.39 O ATOM 838 CB ARG A 56 0.644 1.948 -5.065 1.00 0.56 C ATOM 839 CG ARG A 56 0.542 3.423 -5.416 1.00 0.78 C ATOM 840 CD ARG A 56 -0.093 4.225 -4.302 1.00 0.79 C ATOM 841 NE ARG A 56 -1.498 3.877 -4.111 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.167 4.172 -3.005 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.507 4.641 -1.961 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.473 3.944 -2.925 1.00 1.57 N ATOM 0 H ARG A 56 1.396 -0.440 -4.215 1.00 0.38 H new ATOM 0 HA ARG A 56 2.756 2.124 -4.854 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.544 1.359 -5.977 1.00 0.56 H new ATOM 0 HB3 ARG A 56 -0.191 1.679 -4.418 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.537 3.816 -5.625 1.00 0.78 H new ATOM 0 HG3 ARG A 56 -0.045 3.540 -6.327 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.453 4.053 -3.374 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -0.010 5.288 -4.528 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.986 3.386 -4.860 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -0.497 4.772 -2.013 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.008 4.873 -1.103 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.970 3.539 -3.718 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.979 4.174 -2.070 1.00 1.57 H new ATOM 858 N ILE A 57 2.735 2.954 -2.556 1.00 0.40 N ATOM 859 CA ILE A 57 2.948 3.335 -1.163 1.00 0.38 C ATOM 860 C ILE A 57 1.713 4.010 -0.580 1.00 0.38 C ATOM 861 O ILE A 57 1.150 4.924 -1.183 1.00 0.49 O ATOM 862 CB ILE A 57 4.154 4.294 -1.014 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.372 3.771 -1.785 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.503 4.487 0.462 1.00 0.45 C ATOM 865 CD1 ILE A 57 5.892 2.442 -1.289 1.00 0.68 C ATOM 0 H ILE A 57 3.248 3.524 -3.228 1.00 0.40 H new ATOM 0 HA ILE A 57 3.152 2.414 -0.617 1.00 0.38 H new ATOM 0 HB ILE A 57 3.873 5.258 -1.437 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.108 3.676 -2.838 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.172 4.508 -1.722 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.353 5.164 0.549 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.646 4.911 0.986 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.759 3.524 0.904 1.00 0.45 H new ATOM 0 HD11 ILE A 57 6.753 2.142 -1.886 1.00 0.68 H new ATOM 0 HD12 ILE A 57 6.190 2.535 -0.244 1.00 0.68 H new ATOM 0 HD13 ILE A 57 5.109 1.689 -1.378 1.00 0.68 H new ATOM 877 N VAL A 58 1.296 3.533 0.583 1.00 0.29 N ATOM 878 CA VAL A 58 0.183 4.122 1.310 1.00 0.32 C ATOM 879 C VAL A 58 0.687 4.780 2.589 1.00 0.30 C ATOM 880 O VAL A 58 0.405 5.945 2.860 1.00 0.37 O ATOM 881 CB VAL A 58 -0.878 3.064 1.683 1.00 0.37 C ATOM 882 CG1 VAL A 58 -2.038 3.705 2.426 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.370 2.332 0.446 1.00 0.62 C ATOM 0 H VAL A 58 1.718 2.729 1.048 1.00 0.29 H new ATOM 0 HA VAL A 58 -0.277 4.863 0.656 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.411 2.334 2.344 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.774 2.942 2.679 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.671 4.173 3.340 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.502 4.461 1.793 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.117 1.592 0.734 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.815 3.046 -0.246 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.531 1.832 -0.038 1.00 0.62 H new ATOM 893 N GLU A 59 1.449 4.021 3.366 1.00 0.24 N ATOM 894 CA GLU A 59 1.996 4.516 4.623 1.00 0.25 C ATOM 895 C GLU A 59 3.447 4.092 4.769 1.00 0.22 C ATOM 896 O GLU A 59 3.865 3.073 4.215 1.00 0.23 O ATOM 897 CB GLU A 59 1.208 3.997 5.836 1.00 0.29 C ATOM 898 CG GLU A 59 -0.238 4.468 5.908 1.00 0.40 C ATOM 899 CD GLU A 59 -0.840 4.271 7.289 1.00 0.44 C ATOM 900 OE1 GLU A 59 -0.716 5.187 8.126 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.428 3.198 7.551 1.00 0.43 O ATOM 0 H GLU A 59 1.703 3.058 3.147 1.00 0.24 H new ATOM 0 HA GLU A 59 1.919 5.603 4.597 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.220 2.907 5.820 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.722 4.308 6.745 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.288 5.523 5.639 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.832 3.924 5.174 1.00 0.40 H new ATOM 908 N VAL A 60 4.212 4.882 5.506 1.00 0.22 N ATOM 909 CA VAL A 60 5.579 4.526 5.851 1.00 0.21 C ATOM 910 C VAL A 60 5.782 4.677 7.351 1.00 0.22 C ATOM 911 O VAL A 60 5.669 5.779 7.886 1.00 0.27 O ATOM 912 CB VAL A 60 6.622 5.393 5.108 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.030 5.021 5.543 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.480 5.247 3.600 1.00 0.66 C ATOM 0 H VAL A 60 3.906 5.781 5.879 1.00 0.22 H new ATOM 0 HA VAL A 60 5.730 3.491 5.544 1.00 0.21 H new ATOM 0 HB VAL A 60 6.439 6.436 5.368 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.751 5.641 5.010 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.134 5.184 6.616 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.216 3.971 5.315 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.226 5.867 3.103 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.630 4.204 3.320 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.483 5.565 3.296 1.00 0.66 H new ATOM 924 N ASN A 61 6.050 3.559 8.022 1.00 0.25 N ATOM 925 CA ASN A 61 6.287 3.540 9.469 1.00 0.30 C ATOM 926 C ASN A 61 5.054 4.015 10.236 1.00 0.36 C ATOM 927 O ASN A 61 5.160 4.529 11.351 1.00 0.47 O ATOM 928 CB ASN A 61 7.498 4.414 9.832 1.00 0.39 C ATOM 929 CG ASN A 61 8.765 3.974 9.129 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.965 2.791 8.863 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.622 4.924 8.805 1.00 0.61 N ATOM 0 H ASN A 61 6.110 2.641 7.582 1.00 0.25 H new ATOM 0 HA ASN A 61 6.496 2.509 9.756 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.284 5.451 9.572 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.655 4.381 10.910 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.486 4.687 8.317 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.421 5.895 9.043 1.00 0.61 H new ATOM 938 N GLY A 62 3.885 3.840 9.631 1.00 0.37 N ATOM 939 CA GLY A 62 2.650 4.267 10.261 1.00 0.50 C ATOM 940 C GLY A 62 2.324 5.722 9.975 1.00 0.51 C ATOM 941 O GLY A 62 1.487 6.317 10.650 1.00 0.66 O ATOM 0 H GLY A 62 3.770 3.409 8.714 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.831 3.639 9.910 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.726 4.120 11.338 1.00 0.50 H new ATOM 945 N VAL A 63 3.021 6.304 9.006 1.00 0.42 N ATOM 946 CA VAL A 63 2.740 7.666 8.576 1.00 0.50 C ATOM 947 C VAL A 63 2.118 7.648 7.184 1.00 0.43 C ATOM 948 O VAL A 63 2.708 7.111 6.243 1.00 0.39 O ATOM 949 CB VAL A 63 4.016 8.541 8.553 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.681 9.974 8.162 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.719 8.505 9.902 1.00 1.17 C ATOM 0 H VAL A 63 3.785 5.852 8.504 1.00 0.42 H new ATOM 0 HA VAL A 63 2.046 8.101 9.296 1.00 0.50 H new ATOM 0 HB VAL A 63 4.693 8.132 7.803 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.593 10.571 8.152 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.230 9.984 7.170 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.980 10.394 8.884 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.613 9.127 9.863 1.00 1.17 H new ATOM 0 HG22 VAL A 63 4.047 8.883 10.673 1.00 1.17 H new ATOM 0 HG23 VAL A 63 5.001 7.479 10.138 1.00 1.17 H new ATOM 961 N CYS A 64 0.931 8.225 7.070 1.00 0.49 N ATOM 962 CA CYS A 64 0.194 8.241 5.812 1.00 0.49 C ATOM 963 C CYS A 64 0.923 9.064 4.751 1.00 0.47 C ATOM 964 O CYS A 64 1.313 10.208 4.994 1.00 0.51 O ATOM 965 CB CYS A 64 -1.210 8.800 6.041 1.00 0.59 C ATOM 966 SG CYS A 64 -2.296 8.697 4.601 1.00 1.68 S ATOM 0 H CYS A 64 0.453 8.693 7.840 1.00 0.49 H new ATOM 0 HA CYS A 64 0.121 7.217 5.447 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.672 8.262 6.869 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.128 9.843 6.345 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.460 9.194 4.899 1.00 1.68 H new ATOM 972 N MET A 65 1.095 8.475 3.572 1.00 0.48 N ATOM 973 CA MET A 65 1.818 9.123 2.482 1.00 0.53 C ATOM 974 C MET A 65 0.898 9.401 1.301 1.00 0.61 C ATOM 975 O MET A 65 1.358 9.707 0.203 1.00 0.81 O ATOM 976 CB MET A 65 2.988 8.247 2.029 1.00 0.61 C ATOM 977 CG MET A 65 3.984 7.957 3.135 1.00 0.63 C ATOM 978 SD MET A 65 4.731 9.455 3.805 1.00 0.61 S ATOM 979 CE MET A 65 5.607 8.782 5.208 1.00 0.74 C ATOM 0 H MET A 65 0.742 7.545 3.346 1.00 0.48 H new ATOM 0 HA MET A 65 2.200 10.074 2.853 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.599 7.305 1.644 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.504 8.740 1.205 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.483 7.415 3.937 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.768 7.305 2.751 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.774 9.568 5.944 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.016 7.984 5.658 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.566 8.382 4.880 1.00 0.74 H new ATOM 989 N GLU A 66 -0.401 9.310 1.547 1.00 0.83 N ATOM 990 CA GLU A 66 -1.407 9.522 0.506 1.00 1.01 C ATOM 991 C GLU A 66 -1.345 10.946 -0.052 1.00 1.08 C ATOM 992 O GLU A 66 -1.652 11.179 -1.220 1.00 1.86 O ATOM 993 CB GLU A 66 -2.810 9.253 1.059 1.00 1.29 C ATOM 994 CG GLU A 66 -3.072 7.797 1.415 1.00 2.19 C ATOM 995 CD GLU A 66 -3.249 6.908 0.197 1.00 3.03 C ATOM 996 OE1 GLU A 66 -4.148 7.184 -0.621 1.00 3.33 O ATOM 997 OE2 GLU A 66 -2.478 5.935 0.050 1.00 3.75 O ATOM 0 H GLU A 66 -0.789 9.089 2.464 1.00 0.83 H new ATOM 0 HA GLU A 66 -1.192 8.825 -0.304 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.962 9.866 1.948 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.546 9.573 0.322 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -2.243 7.421 2.014 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.967 7.736 2.035 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.954 11.896 0.789 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.872 13.279 0.358 1.00 1.36 C ATOM 1006 C GLY A 67 0.550 13.797 0.374 1.00 1.24 C ATOM 1007 O GLY A 67 0.783 15.010 0.416 1.00 1.47 O ATOM 0 H GLY A 67 -0.692 11.734 1.761 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.279 13.369 -0.649 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.490 13.898 1.008 1.00 1.36 H new ATOM 1011 N LYS A 68 1.501 12.878 0.352 1.00 0.97 N ATOM 1012 CA LYS A 68 2.910 13.231 0.392 1.00 0.87 C ATOM 1013 C LYS A 68 3.527 13.147 -0.998 1.00 0.90 C ATOM 1014 O LYS A 68 2.857 12.792 -1.967 1.00 1.06 O ATOM 1015 CB LYS A 68 3.654 12.303 1.353 1.00 0.73 C ATOM 1016 CG LYS A 68 3.101 12.344 2.766 1.00 1.24 C ATOM 1017 CD LYS A 68 3.121 13.753 3.319 1.00 2.01 C ATOM 1018 CE LYS A 68 2.344 13.854 4.617 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.283 15.254 5.108 1.00 3.36 N ATOM 0 H LYS A 68 1.321 11.875 0.306 1.00 0.97 H new ATOM 0 HA LYS A 68 2.999 14.258 0.746 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.600 11.281 0.977 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.708 12.580 1.373 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.080 11.963 2.771 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.689 11.689 3.409 1.00 1.24 H new ATOM 0 HD2 LYS A 68 4.152 14.064 3.486 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.696 14.438 2.586 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.333 13.476 4.467 1.00 2.81 H new ATOM 0 HE3 LYS A 68 2.812 13.223 5.372 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.745 15.287 5.997 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.247 15.606 5.274 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.814 15.851 4.397 1.00 3.36 H new ATOM 1033 N GLN A 69 4.799 13.500 -1.088 1.00 0.87 N ATOM 1034 CA GLN A 69 5.529 13.444 -2.344 1.00 0.93 C ATOM 1035 C GLN A 69 6.794 12.611 -2.169 1.00 0.81 C ATOM 1036 O GLN A 69 7.050 12.105 -1.073 1.00 0.74 O ATOM 1037 CB GLN A 69 5.878 14.858 -2.818 1.00 1.07 C ATOM 1038 CG GLN A 69 4.660 15.731 -3.098 1.00 1.33 C ATOM 1039 CD GLN A 69 3.900 15.305 -4.343 1.00 2.12 C ATOM 1040 OE1 GLN A 69 4.166 15.792 -5.443 1.00 2.64 O ATOM 1041 NE2 GLN A 69 2.955 14.392 -4.189 1.00 2.89 N ATOM 0 H GLN A 69 5.352 13.832 -0.298 1.00 0.87 H new ATOM 0 HA GLN A 69 4.901 12.974 -3.101 1.00 0.93 H new ATOM 0 HB2 GLN A 69 6.495 15.343 -2.061 1.00 1.07 H new ATOM 0 HB3 GLN A 69 6.480 14.789 -3.724 1.00 1.07 H new ATOM 0 HG2 GLN A 69 3.989 15.696 -2.239 1.00 1.33 H new ATOM 0 HG3 GLN A 69 4.980 16.767 -3.211 1.00 1.33 H new ATOM 0 HE21 GLN A 69 2.761 14.010 -3.263 1.00 2.89 H new ATOM 0 HE22 GLN A 69 2.420 14.070 -4.996 1.00 2.89 H new ATOM 1050 N HIS A 70 7.591 12.493 -3.229 1.00 0.84 N ATOM 1051 CA HIS A 70 8.767 11.618 -3.223 1.00 0.79 C ATOM 1052 C HIS A 70 9.698 11.926 -2.048 1.00 0.70 C ATOM 1053 O HIS A 70 10.208 11.011 -1.401 1.00 0.65 O ATOM 1054 CB HIS A 70 9.526 11.742 -4.554 1.00 0.88 C ATOM 1055 CG HIS A 70 10.733 10.850 -4.669 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.952 11.294 -5.132 1.00 1.42 N ATOM 1057 CD2 HIS A 70 10.897 9.533 -4.391 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.814 10.293 -5.130 1.00 1.31 C ATOM 1059 NE2 HIS A 70 12.201 9.213 -4.685 1.00 1.13 N ATOM 0 H HIS A 70 7.445 12.993 -4.106 1.00 0.84 H new ATOM 0 HA HIS A 70 8.417 10.593 -3.104 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.842 11.513 -5.371 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.841 12.777 -4.683 1.00 0.88 H new ATOM 0 HD2 HIS A 70 10.143 8.860 -4.009 1.00 1.37 H new ATOM 0 HE1 HIS A 70 13.847 10.349 -5.440 1.00 1.31 H new ATOM 0 HE2 HIS A 70 12.625 8.292 -4.577 1.00 1.13 H new ATOM 1068 N GLY A 71 9.893 13.207 -1.760 1.00 0.72 N ATOM 1069 CA GLY A 71 10.800 13.596 -0.697 1.00 0.69 C ATOM 1070 C GLY A 71 10.308 13.184 0.676 1.00 0.62 C ATOM 1071 O GLY A 71 11.086 12.701 1.499 1.00 0.62 O ATOM 0 H GLY A 71 9.440 13.983 -2.243 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.777 13.148 -0.877 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.936 14.677 -0.720 1.00 0.69 H new ATOM 1075 N ASP A 72 9.011 13.352 0.916 1.00 0.61 N ATOM 1076 CA ASP A 72 8.422 13.026 2.214 1.00 0.58 C ATOM 1077 C ASP A 72 8.498 11.534 2.486 1.00 0.49 C ATOM 1078 O ASP A 72 8.883 11.110 3.577 1.00 0.44 O ATOM 1079 CB ASP A 72 6.960 13.475 2.285 1.00 0.68 C ATOM 1080 CG ASP A 72 6.803 14.975 2.361 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.866 15.528 3.478 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.593 15.609 1.305 1.00 2.03 O ATOM 0 H ASP A 72 8.347 13.712 0.230 1.00 0.61 H new ATOM 0 HA ASP A 72 8.996 13.559 2.971 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.430 13.104 1.408 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.489 13.022 3.157 1.00 0.68 H new ATOM 1087 N VAL A 73 8.135 10.745 1.483 1.00 0.50 N ATOM 1088 CA VAL A 73 8.122 9.297 1.615 1.00 0.45 C ATOM 1089 C VAL A 73 9.529 8.762 1.889 1.00 0.44 C ATOM 1090 O VAL A 73 9.730 7.963 2.801 1.00 0.43 O ATOM 1091 CB VAL A 73 7.544 8.624 0.349 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.565 7.107 0.476 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.127 9.119 0.083 1.00 0.97 C ATOM 0 H VAL A 73 7.845 11.087 0.567 1.00 0.50 H new ATOM 0 HA VAL A 73 7.480 9.053 2.461 1.00 0.45 H new ATOM 0 HB VAL A 73 8.174 8.899 -0.497 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.153 6.660 -0.429 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.592 6.768 0.613 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.966 6.805 1.335 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.735 8.636 -0.812 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.491 8.877 0.935 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.141 10.199 -0.064 1.00 0.97 H new ATOM 1103 N VAL A 74 10.504 9.233 1.116 1.00 0.49 N ATOM 1104 CA VAL A 74 11.885 8.776 1.260 1.00 0.53 C ATOM 1105 C VAL A 74 12.496 9.250 2.579 1.00 0.51 C ATOM 1106 O VAL A 74 13.250 8.518 3.226 1.00 0.52 O ATOM 1107 CB VAL A 74 12.762 9.250 0.079 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.222 8.876 0.293 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.254 8.655 -1.221 1.00 0.70 C ATOM 0 H VAL A 74 10.365 9.930 0.384 1.00 0.49 H new ATOM 0 HA VAL A 74 11.859 7.686 1.260 1.00 0.53 H new ATOM 0 HB VAL A 74 12.697 10.337 0.024 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.814 9.222 -0.554 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.587 9.344 1.207 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.311 7.793 0.379 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.879 8.996 -2.046 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.292 7.567 -1.162 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.225 8.974 -1.390 1.00 0.70 H new ATOM 1119 N SER A 75 12.165 10.468 2.982 1.00 0.51 N ATOM 1120 CA SER A 75 12.651 11.005 4.244 1.00 0.52 C ATOM 1121 C SER A 75 12.149 10.141 5.400 1.00 0.47 C ATOM 1122 O SER A 75 12.881 9.870 6.352 1.00 0.51 O ATOM 1123 CB SER A 75 12.189 12.454 4.423 1.00 0.58 C ATOM 1124 OG SER A 75 12.863 13.085 5.498 1.00 0.66 O ATOM 0 H SER A 75 11.564 11.101 2.455 1.00 0.51 H new ATOM 0 HA SER A 75 13.741 10.992 4.237 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.368 13.010 3.503 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.114 12.475 4.604 1.00 0.58 H new ATOM 0 HG SER A 75 12.547 14.009 5.585 1.00 0.66 H new ATOM 1130 N ALA A 76 10.906 9.686 5.288 1.00 0.42 N ATOM 1131 CA ALA A 76 10.303 8.831 6.299 1.00 0.39 C ATOM 1132 C ALA A 76 11.034 7.497 6.400 1.00 0.37 C ATOM 1133 O ALA A 76 11.153 6.931 7.487 1.00 0.39 O ATOM 1134 CB ALA A 76 8.835 8.610 6.000 1.00 0.39 C ATOM 0 H ALA A 76 10.294 9.898 4.500 1.00 0.42 H new ATOM 0 HA ALA A 76 10.391 9.336 7.261 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.400 7.968 6.766 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.317 9.569 5.993 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.730 8.133 5.025 1.00 0.39 H new ATOM 1140 N ILE A 77 11.525 7.002 5.261 1.00 0.37 N ATOM 1141 CA ILE A 77 12.291 5.755 5.229 1.00 0.39 C ATOM 1142 C ILE A 77 13.494 5.877 6.155 1.00 0.41 C ATOM 1143 O ILE A 77 13.823 4.962 6.913 1.00 0.44 O ATOM 1144 CB ILE A 77 12.815 5.430 3.808 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.702 5.547 2.763 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.429 4.038 3.771 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.544 4.599 2.975 1.00 0.69 C ATOM 0 H ILE A 77 11.406 7.446 4.350 1.00 0.37 H new ATOM 0 HA ILE A 77 11.622 4.956 5.547 1.00 0.39 H new ATOM 0 HB ILE A 77 13.585 6.161 3.563 1.00 0.45 H new ATOM 0 HG12 ILE A 77 11.324 6.569 2.766 1.00 0.53 H new ATOM 0 HG13 ILE A 77 12.127 5.367 1.776 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.792 3.827 2.765 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.260 3.988 4.474 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.675 3.300 4.047 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.802 4.749 2.191 1.00 0.69 H new ATOM 0 HD12 ILE A 77 10.905 3.571 2.941 1.00 0.69 H new ATOM 0 HD13 ILE A 77 10.089 4.792 3.946 1.00 0.69 H new ATOM 1159 N ARG A 78 14.135 7.034 6.092 1.00 0.43 N ATOM 1160 CA ARG A 78 15.295 7.323 6.919 1.00 0.50 C ATOM 1161 C ARG A 78 14.885 7.602 8.360 1.00 0.50 C ATOM 1162 O ARG A 78 15.572 7.200 9.301 1.00 0.56 O ATOM 1163 CB ARG A 78 16.055 8.521 6.355 1.00 0.58 C ATOM 1164 CG ARG A 78 16.649 8.277 4.980 1.00 0.66 C ATOM 1165 CD ARG A 78 17.453 9.478 4.517 1.00 0.89 C ATOM 1166 NE ARG A 78 18.473 9.853 5.494 1.00 1.59 N ATOM 1167 CZ ARG A 78 18.803 11.111 5.786 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.205 12.121 5.164 1.00 2.12 N ATOM 1169 NH2 ARG A 78 19.731 11.356 6.701 1.00 3.09 N ATOM 0 H ARG A 78 13.867 7.796 5.469 1.00 0.43 H new ATOM 0 HA ARG A 78 15.944 6.447 6.911 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.380 9.376 6.303 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.856 8.789 7.044 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.288 7.395 5.007 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.851 8.071 4.266 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.929 9.252 3.563 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.783 10.321 4.348 1.00 0.89 H new ATOM 0 HE ARG A 78 18.964 9.105 5.984 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.490 11.935 4.460 1.00 2.12 H new ATOM 0 HH12 ARG A 78 18.460 13.082 5.390 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.191 10.582 7.180 1.00 3.09 H new ATOM 0 HH22 ARG A 78 19.984 12.318 6.925 1.00 3.09 H new ATOM 1183 N ALA A 79 13.753 8.277 8.523 1.00 0.47 N ATOM 1184 CA ALA A 79 13.261 8.669 9.840 1.00 0.51 C ATOM 1185 C ALA A 79 12.743 7.472 10.637 1.00 0.43 C ATOM 1186 O ALA A 79 12.400 7.604 11.811 1.00 0.46 O ATOM 1187 CB ALA A 79 12.168 9.716 9.698 1.00 0.65 C ATOM 0 H ALA A 79 13.153 8.567 7.751 1.00 0.47 H new ATOM 0 HA ALA A 79 14.100 9.092 10.392 1.00 0.51 H new ATOM 0 HB1 ALA A 79 11.807 10.002 10.686 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.568 10.593 9.190 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.343 9.304 9.116 1.00 0.65 H new ATOM 1193 N GLY A 80 12.688 6.310 10.000 1.00 0.41 N ATOM 1194 CA GLY A 80 12.237 5.111 10.682 1.00 0.42 C ATOM 1195 C GLY A 80 13.251 4.595 11.684 1.00 0.46 C ATOM 1196 O GLY A 80 12.888 3.973 12.682 1.00 0.60 O ATOM 0 H GLY A 80 12.948 6.175 9.023 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.298 5.320 11.195 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.031 4.334 9.946 1.00 0.42 H new ATOM 1200 N GLY A 81 14.521 4.868 11.427 1.00 0.49 N ATOM 1201 CA GLY A 81 15.573 4.387 12.298 1.00 0.63 C ATOM 1202 C GLY A 81 16.494 3.431 11.576 1.00 0.64 C ATOM 1203 O GLY A 81 17.104 3.795 10.568 1.00 1.10 O ATOM 0 H GLY A 81 14.843 5.415 10.629 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.148 5.232 12.677 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.133 3.888 13.161 1.00 0.63 H new ATOM 1207 N ASP A 82 16.585 2.205 12.071 1.00 0.43 N ATOM 1208 CA ASP A 82 17.421 1.193 11.437 1.00 0.44 C ATOM 1209 C ASP A 82 16.560 0.137 10.765 1.00 0.39 C ATOM 1210 O ASP A 82 17.055 -0.889 10.304 1.00 0.55 O ATOM 1211 CB ASP A 82 18.384 0.549 12.436 1.00 0.55 C ATOM 1212 CG ASP A 82 19.494 1.493 12.856 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.192 2.032 11.969 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.669 1.707 14.077 1.00 1.97 O ATOM 0 H ASP A 82 16.093 1.887 12.906 1.00 0.43 H new ATOM 0 HA ASP A 82 18.023 1.690 10.676 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.829 0.229 13.318 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.820 -0.346 11.992 1.00 0.55 H new ATOM 1219 N GLU A 83 15.264 0.394 10.731 1.00 0.38 N ATOM 1220 CA GLU A 83 14.331 -0.425 9.980 1.00 0.39 C ATOM 1221 C GLU A 83 13.156 0.436 9.546 1.00 0.38 C ATOM 1222 O GLU A 83 12.899 1.485 10.146 1.00 0.53 O ATOM 1223 CB GLU A 83 13.867 -1.636 10.805 1.00 0.47 C ATOM 1224 CG GLU A 83 13.094 -1.299 12.074 1.00 0.86 C ATOM 1225 CD GLU A 83 11.587 -1.320 11.879 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.025 -2.422 11.706 1.00 2.11 O ATOM 1227 OE2 GLU A 83 10.955 -0.244 11.925 1.00 2.00 O ATOM 0 H GLU A 83 14.830 1.175 11.223 1.00 0.38 H new ATOM 0 HA GLU A 83 14.829 -0.820 9.094 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.241 -2.267 10.174 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.742 -2.226 11.078 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.363 -2.010 12.855 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.395 -0.312 12.424 1.00 0.86 H new ATOM 1234 N THR A 84 12.465 0.029 8.495 1.00 0.27 N ATOM 1235 CA THR A 84 11.318 0.776 8.030 1.00 0.26 C ATOM 1236 C THR A 84 10.176 -0.176 7.690 1.00 0.22 C ATOM 1237 O THR A 84 10.402 -1.328 7.316 1.00 0.21 O ATOM 1238 CB THR A 84 11.676 1.667 6.813 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.592 2.550 6.503 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.014 0.830 5.588 1.00 0.30 C ATOM 0 H THR A 84 12.679 -0.809 7.954 1.00 0.27 H new ATOM 0 HA THR A 84 10.995 1.439 8.833 1.00 0.26 H new ATOM 0 HB THR A 84 12.556 2.251 7.085 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.026 2.664 7.295 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.260 1.488 4.754 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.868 0.190 5.809 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.157 0.212 5.322 1.00 0.30 H new ATOM 1248 N LYS A 85 8.958 0.291 7.877 1.00 0.24 N ATOM 1249 CA LYS A 85 7.786 -0.494 7.556 1.00 0.23 C ATOM 1250 C LYS A 85 6.997 0.195 6.458 1.00 0.23 C ATOM 1251 O LYS A 85 6.546 1.331 6.620 1.00 0.26 O ATOM 1252 CB LYS A 85 6.920 -0.680 8.798 1.00 0.28 C ATOM 1253 CG LYS A 85 7.674 -1.279 9.972 1.00 0.37 C ATOM 1254 CD LYS A 85 6.768 -1.433 11.176 1.00 0.50 C ATOM 1255 CE LYS A 85 7.531 -1.891 12.406 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.505 -0.867 12.880 1.00 1.63 N ATOM 0 H LYS A 85 8.755 1.217 8.253 1.00 0.24 H new ATOM 0 HA LYS A 85 8.098 -1.478 7.205 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.509 0.285 9.094 1.00 0.28 H new ATOM 0 HB3 LYS A 85 6.076 -1.324 8.551 1.00 0.28 H new ATOM 0 HG2 LYS A 85 8.080 -2.251 9.691 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.521 -0.642 10.228 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.279 -0.482 11.386 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.981 -2.152 10.948 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.825 -2.116 13.206 1.00 0.78 H new ATOM 0 HE3 LYS A 85 8.061 -2.816 12.179 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.928 -1.180 13.777 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 9.253 -0.744 12.168 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 8.014 0.038 13.026 1.00 1.63 H new ATOM 1270 N LEU A 86 6.837 -0.489 5.349 1.00 0.22 N ATOM 1271 CA LEU A 86 6.149 0.068 4.204 1.00 0.22 C ATOM 1272 C LEU A 86 4.771 -0.540 4.080 1.00 0.22 C ATOM 1273 O LEU A 86 4.614 -1.760 4.086 1.00 0.27 O ATOM 1274 CB LEU A 86 6.940 -0.196 2.922 1.00 0.24 C ATOM 1275 CG LEU A 86 8.330 0.435 2.868 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.005 0.122 1.542 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.238 1.937 3.078 1.00 0.28 C ATOM 0 H LEU A 86 7.177 -1.441 5.214 1.00 0.22 H new ATOM 0 HA LEU A 86 6.058 1.145 4.349 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.044 -1.274 2.795 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.360 0.171 2.075 1.00 0.24 H new ATOM 0 HG LEU A 86 8.934 0.011 3.670 1.00 0.25 H new ATOM 0 HD11 LEU A 86 9.994 0.579 1.520 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.102 -0.958 1.429 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.404 0.520 0.725 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.237 2.372 3.037 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.618 2.376 2.296 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.793 2.142 4.052 1.00 0.28 H new ATOM 1289 N LEU A 87 3.775 0.310 3.974 1.00 0.20 N ATOM 1290 CA LEU A 87 2.429 -0.148 3.737 1.00 0.21 C ATOM 1291 C LEU A 87 2.092 0.102 2.287 1.00 0.21 C ATOM 1292 O LEU A 87 2.041 1.249 1.840 1.00 0.26 O ATOM 1293 CB LEU A 87 1.430 0.585 4.625 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.015 0.113 4.475 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.212 -1.226 5.158 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.980 1.141 5.024 1.00 0.45 C ATOM 0 H LEU A 87 3.874 1.322 4.049 1.00 0.20 H new ATOM 0 HA LEU A 87 2.368 -1.211 3.972 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.732 0.466 5.666 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.476 1.651 4.400 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.223 -0.010 3.412 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.247 -1.546 5.040 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.450 -1.965 4.707 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.020 -1.131 6.219 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.002 0.781 4.905 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.774 1.305 6.082 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.860 2.079 4.481 1.00 0.45 H new ATOM 1308 N VAL A 88 1.880 -0.967 1.552 1.00 0.20 N ATOM 1309 CA VAL A 88 1.651 -0.863 0.129 1.00 0.23 C ATOM 1310 C VAL A 88 0.382 -1.590 -0.273 1.00 0.24 C ATOM 1311 O VAL A 88 -0.167 -2.380 0.498 1.00 0.27 O ATOM 1312 CB VAL A 88 2.843 -1.421 -0.678 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.055 -0.515 -0.537 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.188 -2.835 -0.229 1.00 0.33 C ATOM 0 H VAL A 88 1.862 -1.919 1.917 1.00 0.20 H new ATOM 0 HA VAL A 88 1.542 0.197 -0.100 1.00 0.23 H new ATOM 0 HB VAL A 88 2.552 -1.455 -1.728 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.885 -0.925 -1.113 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.811 0.480 -0.910 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.340 -0.449 0.513 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.031 -3.206 -0.812 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.454 -2.826 0.828 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.327 -3.485 -0.381 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.094 -1.288 -1.464 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.265 -1.941 -2.013 1.00 0.27 C ATOM 1326 C VAL A 89 -0.978 -2.427 -3.425 1.00 0.34 C ATOM 1327 O VAL A 89 -0.305 -1.743 -4.203 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.486 -0.993 -2.030 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.975 -0.718 -0.615 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.147 0.313 -2.733 1.00 0.30 C ATOM 0 H VAL A 89 0.319 -0.585 -2.077 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.502 -2.791 -1.373 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.286 -1.485 -2.583 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.835 -0.049 -0.651 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.265 -1.656 -0.141 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.176 -0.252 -0.038 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.021 0.964 -2.733 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.327 0.806 -2.210 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.849 0.106 -3.761 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.458 -3.622 -3.741 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.322 -4.162 -5.083 1.00 0.51 C ATOM 1342 C ASP A 90 -2.349 -3.517 -6.006 1.00 0.48 C ATOM 1343 O ASP A 90 -3.186 -2.739 -5.546 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.483 -5.687 -5.087 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.838 -6.133 -4.578 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -3.819 -6.065 -5.345 1.00 1.86 O ATOM 1347 OD2 ASP A 90 -2.926 -6.548 -3.404 1.00 1.92 O ATOM 0 H ASP A 90 -1.944 -4.234 -3.086 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.320 -3.933 -5.445 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.339 -6.061 -6.101 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -0.703 -6.132 -4.469 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.304 -3.839 -7.288 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.125 -3.138 -8.271 1.00 0.61 C ATOM 1354 C ARG A 91 -4.619 -3.326 -7.998 1.00 0.55 C ATOM 1355 O ARG A 91 -5.391 -2.369 -8.076 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.764 -3.588 -9.689 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.280 -2.661 -10.783 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.054 -1.188 -10.446 1.00 1.44 C ATOM 1359 NE ARG A 91 -1.753 -0.947 -9.818 1.00 2.25 N ATOM 1360 CZ ARG A 91 -1.537 -0.004 -8.901 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -2.467 0.908 -8.647 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -0.369 0.052 -8.273 1.00 4.16 N ATOM 0 H ARG A 91 -1.713 -4.575 -7.674 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.913 -2.072 -8.182 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.680 -3.662 -9.771 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.165 -4.588 -9.855 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -2.781 -2.898 -11.723 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -4.345 -2.838 -10.934 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -3.129 -0.595 -11.358 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -3.845 -0.847 -9.778 1.00 1.44 H new ATOM 0 HE ARG A 91 -0.967 -1.534 -10.098 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -3.352 0.889 -9.154 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -2.297 1.628 -7.944 1.00 3.39 H new ATOM 0 HH21 ARG A 91 0.361 -0.626 -8.492 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -0.201 0.773 -7.571 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.017 -4.545 -7.650 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.417 -4.832 -7.355 1.00 0.61 C ATOM 1378 C GLU A 92 -6.864 -4.099 -6.094 1.00 0.51 C ATOM 1379 O GLU A 92 -7.949 -3.519 -6.051 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.641 -6.338 -7.187 1.00 0.74 C ATOM 1381 CG GLU A 92 -6.833 -7.093 -8.494 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.683 -6.912 -9.460 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -4.632 -7.557 -9.269 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -5.830 -6.122 -10.418 1.00 2.68 O ATOM 0 H GLU A 92 -4.393 -5.348 -7.565 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.014 -4.481 -8.197 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.788 -6.763 -6.657 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -7.517 -6.495 -6.558 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -6.955 -8.155 -8.279 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -7.755 -6.756 -8.969 1.00 1.44 H new ATOM 1391 N THR A 93 -6.009 -4.116 -5.082 1.00 0.44 N ATOM 1392 CA THR A 93 -6.295 -3.454 -3.819 1.00 0.38 C ATOM 1393 C THR A 93 -6.355 -1.933 -3.985 1.00 0.33 C ATOM 1394 O THR A 93 -7.270 -1.280 -3.475 1.00 0.37 O ATOM 1395 CB THR A 93 -5.222 -3.799 -2.778 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.166 -5.220 -2.588 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.500 -3.113 -1.453 1.00 0.36 C ATOM 0 H THR A 93 -5.104 -4.586 -5.113 1.00 0.44 H new ATOM 0 HA THR A 93 -7.268 -3.810 -3.480 1.00 0.38 H new ATOM 0 HB THR A 93 -4.262 -3.442 -3.150 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.259 -5.540 -2.776 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.722 -3.377 -0.736 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.509 -2.033 -1.597 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.469 -3.436 -1.072 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.377 -1.376 -4.697 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.315 0.067 -4.924 1.00 0.39 C ATOM 1407 C ASP A 94 -6.583 0.520 -5.631 1.00 0.43 C ATOM 1408 O ASP A 94 -7.240 1.469 -5.203 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.076 0.420 -5.759 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.721 1.902 -5.730 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.460 2.680 -5.083 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -2.726 2.305 -6.363 1.00 1.18 O ATOM 0 H ASP A 94 -4.616 -1.902 -5.127 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.237 0.582 -3.967 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.226 -0.156 -5.393 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.246 0.116 -6.792 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.957 -0.206 -6.680 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.187 0.075 -7.407 1.00 0.49 C ATOM 1419 C GLU A 95 -9.398 -0.040 -6.488 1.00 0.45 C ATOM 1420 O GLU A 95 -10.339 0.749 -6.595 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.347 -0.884 -8.587 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.435 -0.574 -9.760 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.757 0.758 -10.405 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -8.923 0.976 -10.788 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -6.843 1.596 -10.532 1.00 1.94 O ATOM 0 H GLU A 95 -6.423 -0.995 -7.045 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.125 1.096 -7.784 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.151 -1.900 -8.246 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.382 -0.856 -8.927 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.399 -0.569 -9.420 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.523 -1.366 -10.504 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.364 -1.012 -5.579 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.467 -1.231 -4.650 1.00 0.41 C ATOM 1434 C PHE A 96 -10.661 -0.024 -3.739 1.00 0.36 C ATOM 1435 O PHE A 96 -11.773 0.478 -3.596 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.214 -2.487 -3.807 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.245 -2.721 -2.738 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.448 -3.335 -3.040 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.010 -2.322 -1.431 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.398 -3.548 -2.059 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -11.955 -2.532 -0.447 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.152 -3.146 -0.761 1.00 0.72 C ATOM 0 H PHE A 96 -8.584 -1.660 -5.467 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.376 -1.372 -5.234 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.184 -3.355 -4.466 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.232 -2.408 -3.340 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.647 -3.651 -4.053 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.076 -1.841 -1.180 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.333 -4.029 -2.308 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -11.759 -2.217 0.567 1.00 0.62 H new ATOM 0 HZ PHE A 96 -13.893 -3.311 0.007 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.580 0.446 -3.141 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.646 1.614 -2.266 1.00 0.32 C ATOM 1454 C PHE A 97 -9.999 2.879 -3.048 1.00 0.39 C ATOM 1455 O PHE A 97 -10.755 3.724 -2.560 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.330 1.800 -1.510 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.214 0.940 -0.283 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.748 1.351 0.925 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.573 -0.286 -0.345 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.646 0.555 2.050 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.467 -1.088 0.775 1.00 0.40 C ATOM 1462 CZ PHE A 97 -7.997 -0.636 1.997 1.00 0.35 C ATOM 0 H PHE A 97 -8.649 0.043 -3.241 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.440 1.438 -1.541 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.501 1.575 -2.181 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.232 2.846 -1.221 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.250 2.305 0.990 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.150 -0.620 -1.281 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.087 0.883 2.980 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -6.983 -2.051 0.713 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.888 -1.234 2.890 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.462 3.002 -4.261 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.752 4.152 -5.119 1.00 0.53 C ATOM 1474 C LYS A 98 -11.239 4.249 -5.431 1.00 0.56 C ATOM 1475 O LYS A 98 -11.844 5.314 -5.290 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.972 4.057 -6.431 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.470 4.206 -6.265 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.739 3.988 -7.578 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.766 5.229 -8.450 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.925 6.319 -7.885 1.00 1.92 N ATOM 0 H LYS A 98 -8.824 2.321 -4.672 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.446 5.046 -4.576 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.182 3.095 -6.899 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.331 4.828 -7.113 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.242 5.201 -5.882 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.112 3.490 -5.525 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -5.705 3.708 -7.376 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.196 3.156 -8.115 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -6.413 4.978 -9.450 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -7.793 5.579 -8.553 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -5.704 7.009 -8.631 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -6.441 6.793 -7.116 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.041 5.918 -7.512 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.826 3.134 -5.846 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.244 3.105 -6.191 1.00 0.63 C ATOM 1496 C LYS A 99 -14.122 3.219 -4.943 1.00 0.63 C ATOM 1497 O LYS A 99 -15.323 3.465 -5.042 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.600 1.836 -6.971 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.374 0.550 -6.195 1.00 0.60 C ATOM 1500 CD LYS A 99 -13.933 -0.656 -6.935 1.00 0.76 C ATOM 1501 CE LYS A 99 -13.692 -1.946 -6.165 1.00 1.62 C ATOM 1502 NZ LYS A 99 -14.325 -3.121 -6.821 1.00 2.04 N ATOM 0 H LYS A 99 -11.346 2.240 -5.952 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.438 3.968 -6.829 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.647 1.888 -7.271 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.007 1.806 -7.885 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.307 0.410 -6.024 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.846 0.628 -5.216 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -15.003 -0.522 -7.095 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.470 -0.727 -7.919 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -12.619 -2.117 -6.074 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -14.085 -1.842 -5.154 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -14.134 -3.976 -6.261 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.352 -2.971 -6.885 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -13.932 -3.238 -7.777 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.522 3.024 -3.774 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.243 3.136 -2.512 1.00 0.60 C ATOM 1518 C CYS A 100 -14.122 4.545 -1.927 1.00 0.61 C ATOM 1519 O CYS A 100 -14.824 4.895 -0.974 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.718 2.099 -1.517 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.138 0.393 -1.946 1.00 1.39 S ATOM 0 H CYS A 100 -12.535 2.787 -3.674 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.299 2.945 -2.704 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.634 2.190 -1.451 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -14.118 2.324 -0.528 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.267 -0.068 -2.794 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.227 5.348 -2.519 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.988 6.734 -2.096 1.00 0.65 C ATOM 1529 C ARG A 101 -12.504 6.802 -0.651 1.00 0.64 C ATOM 1530 O ARG A 101 -12.709 7.802 0.038 1.00 0.75 O ATOM 1531 CB ARG A 101 -14.246 7.603 -2.263 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.590 7.937 -3.707 1.00 0.79 C ATOM 1533 CD ARG A 101 -15.302 6.791 -4.409 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.643 6.568 -3.871 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.635 6.007 -4.560 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.429 5.582 -5.800 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -18.830 5.871 -4.003 1.00 4.09 N ATOM 0 H ARG A 101 -12.648 5.054 -3.306 1.00 0.59 H new ATOM 0 HA ARG A 101 -12.206 7.128 -2.745 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -15.093 7.087 -1.810 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -14.107 8.532 -1.711 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -15.222 8.825 -3.732 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.676 8.181 -4.249 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -15.370 7.006 -5.475 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -14.713 5.880 -4.304 1.00 1.19 H new ATOM 0 HE ARG A 101 -16.830 6.859 -2.911 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -16.509 5.685 -6.228 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -18.191 5.153 -6.325 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -18.988 6.196 -3.049 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -19.592 5.442 -4.528 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.839 5.750 -0.204 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.396 5.667 1.176 1.00 0.57 C ATOM 1553 C VAL A 102 -9.886 5.444 1.250 1.00 0.49 C ATOM 1554 O VAL A 102 -9.307 4.739 0.421 1.00 0.46 O ATOM 1555 CB VAL A 102 -12.153 4.549 1.929 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.898 3.195 1.291 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.780 4.531 3.404 1.00 1.42 C ATOM 0 H VAL A 102 -11.594 4.942 -0.777 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.622 6.616 1.661 1.00 0.57 H new ATOM 0 HB VAL A 102 -13.219 4.762 1.856 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.442 2.426 1.840 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.238 3.211 0.255 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.831 2.975 1.319 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -12.328 3.735 3.908 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.709 4.356 3.506 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -12.036 5.489 3.856 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.259 6.079 2.227 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.823 5.982 2.421 1.00 0.50 C ATOM 1569 C ILE A 103 -7.453 4.677 3.128 1.00 0.43 C ATOM 1570 O ILE A 103 -8.027 4.335 4.165 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.301 7.187 3.238 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.584 8.491 2.485 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.811 7.049 3.526 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.139 9.732 3.228 1.00 1.33 C ATOM 0 H ILE A 103 -9.731 6.675 2.907 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.353 5.990 1.438 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.825 7.208 4.194 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -7.082 8.458 1.518 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -8.654 8.561 2.287 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.470 7.910 4.102 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.634 6.138 4.097 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.262 7.001 2.586 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.372 10.615 2.633 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -7.660 9.790 4.184 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -6.064 9.686 3.403 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.503 3.925 2.549 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.991 2.691 3.142 1.00 0.37 C ATOM 1588 C PRO A 104 -5.114 2.974 4.359 1.00 0.37 C ATOM 1589 O PRO A 104 -4.615 4.086 4.521 1.00 0.45 O ATOM 1590 CB PRO A 104 -5.155 2.050 2.021 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.398 2.874 0.796 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.850 4.225 1.271 1.00 0.44 C ATOM 0 HA PRO A 104 -6.797 2.048 3.496 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -4.096 2.042 2.281 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.451 1.014 1.858 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.490 2.957 0.198 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -6.155 2.413 0.162 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.011 4.910 1.397 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.538 4.691 0.566 1.00 0.44 H new ATOM 1600 N SER A 105 -4.923 1.972 5.210 1.00 0.32 N ATOM 1601 CA SER A 105 -4.138 2.158 6.418 1.00 0.34 C ATOM 1602 C SER A 105 -3.764 0.818 7.028 1.00 0.34 C ATOM 1603 O SER A 105 -4.339 -0.217 6.672 1.00 0.33 O ATOM 1604 CB SER A 105 -4.931 2.979 7.432 1.00 0.43 C ATOM 1605 OG SER A 105 -6.174 2.354 7.712 1.00 1.42 O ATOM 0 H SER A 105 -5.298 1.032 5.085 1.00 0.32 H new ATOM 0 HA SER A 105 -3.223 2.689 6.155 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.356 3.087 8.352 1.00 0.43 H new ATOM 0 HB3 SER A 105 -5.101 3.983 7.043 1.00 0.43 H new ATOM 0 HG SER A 105 -6.462 1.835 6.932 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.803 0.850 7.941 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.390 -0.332 8.686 1.00 0.43 C ATOM 1613 C GLN A 106 -3.566 -0.921 9.475 1.00 0.45 C ATOM 1614 O GLN A 106 -3.617 -2.122 9.724 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.207 -0.001 9.607 1.00 0.52 C ATOM 1616 CG GLN A 106 0.042 0.422 8.845 1.00 0.68 C ATOM 1617 CD GLN A 106 1.200 0.799 9.752 1.00 0.96 C ATOM 1618 OE1 GLN A 106 2.365 0.618 9.397 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.893 1.337 10.922 1.00 1.42 N ATOM 0 H GLN A 106 -2.288 1.695 8.186 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.060 -1.090 7.975 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -1.498 0.798 10.289 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -0.975 -0.873 10.218 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.353 -0.392 8.190 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.201 1.271 8.206 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.084 1.471 11.181 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.634 1.617 11.565 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.512 -0.071 9.860 1.00 0.46 N ATOM 1629 CA GLU A 107 -5.724 -0.521 10.549 1.00 0.51 C ATOM 1630 C GLU A 107 -6.501 -1.526 9.689 1.00 0.42 C ATOM 1631 O GLU A 107 -7.161 -2.426 10.206 1.00 0.49 O ATOM 1632 CB GLU A 107 -6.617 0.681 10.876 1.00 0.59 C ATOM 1633 CG GLU A 107 -7.772 0.364 11.818 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.301 -0.016 13.207 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -6.769 0.863 13.921 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -7.466 -1.187 13.600 1.00 2.63 O ATOM 0 H GLU A 107 -4.466 0.937 9.708 1.00 0.46 H new ATOM 0 HA GLU A 107 -5.428 -1.015 11.474 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -6.004 1.464 11.322 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.021 1.083 9.947 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -8.430 1.231 11.885 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -8.362 -0.453 11.402 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.400 -1.376 8.367 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.109 -2.239 7.430 1.00 0.37 C ATOM 1645 C HIS A 108 -6.422 -3.597 7.289 1.00 0.46 C ATOM 1646 O HIS A 108 -7.005 -4.535 6.758 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.222 -1.556 6.062 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.245 -0.458 6.022 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.958 0.861 6.308 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.562 -0.489 5.705 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.050 1.587 6.175 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.040 0.795 5.810 1.00 0.52 N ATOM 0 H HIS A 108 -5.828 -0.658 7.922 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.109 -2.412 7.827 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.250 -1.146 5.788 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.475 -2.305 5.311 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.131 -1.362 5.422 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.122 2.652 6.338 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.001 1.087 5.635 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.177 -3.684 7.753 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.418 -4.934 7.699 1.00 0.70 C ATOM 1663 C LEU A 109 -5.067 -5.988 8.581 1.00 0.79 C ATOM 1664 O LEU A 109 -5.507 -7.038 8.112 1.00 1.24 O ATOM 1665 CB LEU A 109 -2.989 -4.698 8.181 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.177 -3.701 7.365 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -0.915 -3.327 8.115 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.824 -4.290 6.017 1.00 0.67 C ATOM 0 H LEU A 109 -4.671 -2.903 8.171 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.407 -5.283 6.666 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.025 -4.351 9.214 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.463 -5.653 8.184 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.777 -2.804 7.208 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.339 -2.614 7.525 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.180 -2.877 9.072 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.316 -4.221 8.288 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.244 -3.566 5.444 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.235 -5.196 6.159 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.738 -4.532 5.475 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.127 -5.685 9.866 1.00 1.37 N ATOM 1681 CA ASN A 110 -5.689 -6.592 10.853 1.00 1.67 C ATOM 1682 C ASN A 110 -7.156 -6.269 11.094 1.00 1.44 C ATOM 1683 O ASN A 110 -7.730 -6.648 12.116 1.00 1.77 O ATOM 1684 CB ASN A 110 -4.901 -6.501 12.166 1.00 2.17 C ATOM 1685 CG ASN A 110 -4.835 -5.084 12.714 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -3.937 -4.312 12.367 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -5.771 -4.733 13.584 1.00 3.35 N ATOM 0 H ASN A 110 -4.788 -4.805 10.255 1.00 1.37 H new ATOM 0 HA ASN A 110 -5.616 -7.611 10.472 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.363 -7.152 12.908 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -3.889 -6.871 12.004 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -5.764 -3.798 13.990 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -6.498 -5.398 13.847 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.755 -5.567 10.147 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.141 -5.187 10.267 1.00 1.12 C ATOM 1696 C GLY A 111 -9.932 -5.516 9.021 1.00 0.87 C ATOM 1697 O GLY A 111 -9.400 -6.128 8.092 1.00 0.93 O ATOM 0 H GLY A 111 -7.299 -5.252 9.291 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.584 -5.698 11.122 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -9.207 -4.117 10.466 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.214 -5.133 8.977 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.083 -5.377 7.836 1.00 0.93 C ATOM 1703 C PRO A 112 -11.998 -4.271 6.788 1.00 0.89 C ATOM 1704 O PRO A 112 -11.552 -3.154 7.070 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.489 -5.409 8.459 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.335 -4.971 9.889 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.935 -4.444 10.046 1.00 1.10 C ATOM 0 HA PRO A 112 -11.809 -6.291 7.309 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.166 -4.745 7.921 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.914 -6.411 8.404 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.066 -4.201 10.136 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.510 -5.806 10.568 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.894 -3.361 9.930 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.522 -4.675 11.028 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.411 -4.596 5.574 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.515 -3.612 4.512 1.00 0.58 C ATOM 1717 C LEU A 113 -13.861 -2.902 4.612 1.00 0.69 C ATOM 1718 O LEU A 113 -14.816 -3.458 5.155 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.364 -4.282 3.142 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.981 -4.865 2.848 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.913 -5.360 1.416 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.896 -3.826 3.111 1.00 1.05 C ATOM 0 H LEU A 113 -12.681 -5.541 5.300 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.714 -2.881 4.621 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.101 -5.081 3.064 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.603 -3.551 2.370 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.811 -5.711 3.514 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.923 -5.772 1.220 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.665 -6.134 1.262 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.102 -4.530 0.735 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.919 -4.258 2.897 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.058 -2.960 2.469 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.934 -3.516 4.155 1.00 1.05 H new