USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 701 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 17 LYS NZ :NH3+ 161:sc= 0.626 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot 166:sc= 0.559 USER MOD Set 2.1: A 6 ASN :FLIP amide:sc= 0.301 F(o=-0.68,f=1) USER MOD Set 2.2: A 25 SER OG : rot -34:sc= 0.702 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.571 (180deg=-0.995) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -96:sc= 1.13 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.062 (180deg=-0.271) USER MOD Single : A 18 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.6!) USER MOD Single : A 21 MET CE :methyl -162:sc= -1.99 (180deg=-3.19) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0359 K(o=-0.036,f=-0.98) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= -2.4! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -150:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -100:sc= -0.881 (180deg=-3.77!) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -1.63! (180deg=-3.4!) USER MOD Single : A 67 LYS NZ :NH3+ 140:sc= -0.982 (180deg=-2.99!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -17.6! (180deg=-20.6!) USER MOD Single : A 86 TYR OH : rot 180:sc= -1.42 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.306 -6.886 -5.772 1.00 0.27 N ATOM 68 CA ASN A 6 -3.639 -7.468 -5.891 1.00 0.24 C ATOM 69 C ASN A 6 -4.715 -6.445 -5.526 1.00 0.24 C ATOM 70 O ASN A 6 -4.931 -6.176 -4.349 1.00 0.25 O ATOM 71 CB ASN A 6 -3.764 -8.690 -4.978 1.00 0.28 C ATOM 72 CG ASN A 6 -2.882 -9.837 -5.428 1.00 0.92 C ATOM 73 OD1 ASN A 6 -2.804 -10.037 -6.738 1.00 1.72 O flip ATOM 74 ND2 ASN A 6 -2.289 -10.541 -4.611 1.00 0.87 N flip ATOM 0 HA ASN A 6 -3.784 -7.773 -6.928 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.498 -8.408 -3.959 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.803 -9.020 -4.957 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.378 -10.350 -3.613 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -1.708 -11.316 -4.932 1.00 0.87 H new ATOM 81 N PRO A 7 -5.417 -5.870 -6.523 1.00 0.25 N ATOM 82 CA PRO A 7 -6.468 -4.878 -6.268 1.00 0.26 C ATOM 83 C PRO A 7 -7.523 -5.404 -5.306 1.00 0.26 C ATOM 84 O PRO A 7 -8.360 -4.652 -4.812 1.00 0.26 O ATOM 85 CB PRO A 7 -7.075 -4.630 -7.652 1.00 0.28 C ATOM 86 CG PRO A 7 -6.000 -5.008 -8.610 1.00 0.43 C ATOM 87 CD PRO A 7 -5.259 -6.143 -7.963 1.00 0.29 C ATOM 0 HA PRO A 7 -6.076 -3.975 -5.800 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -7.971 -5.232 -7.805 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.366 -3.587 -7.775 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.419 -5.311 -9.569 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.335 -4.166 -8.804 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -5.682 -7.109 -8.239 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.210 -6.159 -8.257 1.00 0.29 H new ATOM 95 N LYS A 8 -7.485 -6.705 -5.059 1.00 0.30 N ATOM 96 CA LYS A 8 -8.421 -7.337 -4.145 1.00 0.33 C ATOM 97 C LYS A 8 -7.994 -7.112 -2.700 1.00 0.27 C ATOM 98 O LYS A 8 -8.769 -6.619 -1.880 1.00 0.26 O ATOM 99 CB LYS A 8 -8.518 -8.837 -4.439 1.00 0.43 C ATOM 100 CG LYS A 8 -9.307 -9.171 -5.697 1.00 0.77 C ATOM 101 CD LYS A 8 -8.416 -9.233 -6.930 1.00 0.59 C ATOM 102 CE LYS A 8 -8.422 -7.922 -7.699 1.00 0.73 C ATOM 103 NZ LYS A 8 -7.815 -8.068 -9.050 1.00 1.39 N ATOM 0 H LYS A 8 -6.812 -7.345 -5.482 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.402 -6.885 -4.290 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.511 -9.244 -4.535 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -8.983 -9.334 -3.588 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.811 -10.129 -5.565 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -10.083 -8.421 -5.848 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.396 -9.473 -6.629 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.754 -10.038 -7.582 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -9.447 -7.564 -7.798 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.874 -7.168 -7.134 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -7.543 -7.132 -9.411 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -6.972 -8.674 -8.988 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -8.506 -8.501 -9.696 1.00 1.39 H new ATOM 117 N SER A 9 -6.754 -7.478 -2.399 1.00 0.26 N ATOM 118 CA SER A 9 -6.211 -7.324 -1.054 1.00 0.26 C ATOM 119 C SER A 9 -5.833 -5.875 -0.767 1.00 0.19 C ATOM 120 O SER A 9 -6.004 -5.390 0.351 1.00 0.23 O ATOM 121 CB SER A 9 -4.992 -8.230 -0.874 1.00 0.33 C ATOM 122 OG SER A 9 -5.377 -9.592 -0.793 1.00 0.71 O ATOM 0 H SER A 9 -6.103 -7.885 -3.071 1.00 0.26 H new ATOM 0 HA SER A 9 -6.986 -7.615 -0.344 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.306 -8.092 -1.709 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.454 -7.946 0.031 1.00 0.33 H new ATOM 0 HG SER A 9 -4.580 -10.151 -0.680 1.00 0.71 H new ATOM 128 N LEU A 10 -5.319 -5.192 -1.781 1.00 0.15 N ATOM 129 CA LEU A 10 -4.916 -3.801 -1.638 1.00 0.20 C ATOM 130 C LEU A 10 -6.110 -2.915 -1.327 1.00 0.19 C ATOM 131 O LEU A 10 -5.948 -1.750 -0.970 1.00 0.27 O ATOM 132 CB LEU A 10 -4.238 -3.298 -2.913 1.00 0.24 C ATOM 133 CG LEU A 10 -2.995 -4.079 -3.349 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.358 -3.431 -4.567 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.993 -4.175 -2.210 1.00 0.50 C ATOM 0 H LEU A 10 -5.171 -5.580 -2.713 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.210 -3.751 -0.809 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.965 -3.323 -3.725 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.958 -2.255 -2.768 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.304 -5.089 -3.618 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.476 -4.000 -4.862 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.074 -3.419 -5.389 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.066 -2.409 -4.325 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.118 -4.734 -2.541 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.690 -3.173 -1.906 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.452 -4.687 -1.364 1.00 0.50 H new ATOM 147 N THR A 11 -7.310 -3.463 -1.461 1.00 0.14 N ATOM 148 CA THR A 11 -8.511 -2.683 -1.207 1.00 0.18 C ATOM 149 C THR A 11 -9.413 -3.366 -0.188 1.00 0.15 C ATOM 150 O THR A 11 -10.610 -3.089 -0.113 1.00 0.18 O ATOM 151 CB THR A 11 -9.281 -2.428 -2.512 1.00 0.25 C ATOM 152 OG1 THR A 11 -9.967 -3.619 -2.918 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.322 -1.989 -3.614 1.00 0.35 C ATOM 0 H THR A 11 -7.476 -4.430 -1.740 1.00 0.14 H new ATOM 0 HA THR A 11 -8.198 -1.725 -0.792 1.00 0.18 H new ATOM 0 HB THR A 11 -10.009 -1.635 -2.337 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.421 -4.105 -3.571 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.881 -1.812 -4.533 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.818 -1.071 -3.313 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.581 -2.770 -3.785 1.00 0.35 H new ATOM 161 N ASP A 12 -8.821 -4.262 0.596 1.00 0.11 N ATOM 162 CA ASP A 12 -9.547 -4.975 1.632 1.00 0.12 C ATOM 163 C ASP A 12 -9.069 -4.475 2.988 1.00 0.11 C ATOM 164 O ASP A 12 -7.908 -4.679 3.341 1.00 0.10 O ATOM 165 CB ASP A 12 -9.317 -6.481 1.511 1.00 0.14 C ATOM 166 CG ASP A 12 -10.327 -7.284 2.309 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.261 -7.248 3.555 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.186 -7.943 1.687 1.00 0.57 O ATOM 0 H ASP A 12 -7.834 -4.510 0.529 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.616 -4.791 1.523 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.373 -6.772 0.462 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.311 -6.721 1.856 1.00 0.14 H new ATOM 173 N PRO A 13 -9.939 -3.801 3.763 1.00 0.11 N ATOM 174 CA PRO A 13 -9.565 -3.261 5.067 1.00 0.11 C ATOM 175 C PRO A 13 -8.755 -4.231 5.920 1.00 0.12 C ATOM 176 O PRO A 13 -8.080 -3.815 6.853 1.00 0.13 O ATOM 177 CB PRO A 13 -10.910 -2.968 5.718 1.00 0.12 C ATOM 178 CG PRO A 13 -11.776 -2.592 4.574 1.00 0.12 C ATOM 179 CD PRO A 13 -11.347 -3.483 3.436 1.00 0.11 C ATOM 0 HA PRO A 13 -8.915 -2.392 4.967 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.298 -3.839 6.246 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.835 -2.161 6.447 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.829 -2.740 4.813 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.652 -1.540 4.317 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.959 -4.383 3.377 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.432 -2.976 2.475 1.00 0.11 H new ATOM 187 N LYS A 14 -8.830 -5.521 5.616 1.00 0.13 N ATOM 188 CA LYS A 14 -8.068 -6.506 6.376 1.00 0.15 C ATOM 189 C LYS A 14 -6.584 -6.161 6.297 1.00 0.13 C ATOM 190 O LYS A 14 -5.890 -6.092 7.310 1.00 0.16 O ATOM 191 CB LYS A 14 -8.316 -7.919 5.841 1.00 0.18 C ATOM 192 CG LYS A 14 -8.227 -9.007 6.907 1.00 0.34 C ATOM 193 CD LYS A 14 -6.863 -9.036 7.585 1.00 0.60 C ATOM 194 CE LYS A 14 -5.752 -9.346 6.596 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.965 -10.652 5.914 1.00 1.37 N ATOM 0 H LYS A 14 -9.400 -5.906 4.862 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.393 -6.482 7.416 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.303 -7.955 5.381 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.590 -8.133 5.056 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -9.001 -8.843 7.657 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.425 -9.977 6.451 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.671 -8.073 8.058 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.866 -9.785 8.377 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.697 -8.552 5.851 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.795 -9.361 7.118 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.094 -10.932 5.420 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.211 -11.376 6.619 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.739 -10.562 5.226 1.00 1.37 H new ATOM 209 N LEU A 15 -6.115 -5.942 5.074 1.00 0.09 N ATOM 210 CA LEU A 15 -4.728 -5.583 4.824 1.00 0.08 C ATOM 211 C LEU A 15 -4.494 -4.109 5.114 1.00 0.08 C ATOM 212 O LEU A 15 -3.469 -3.721 5.665 1.00 0.09 O ATOM 213 CB LEU A 15 -4.369 -5.862 3.363 1.00 0.08 C ATOM 214 CG LEU A 15 -4.312 -7.335 2.961 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.335 -8.072 3.854 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.692 -7.973 3.026 1.00 0.12 C ATOM 0 H LEU A 15 -6.686 -6.009 4.231 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.100 -6.183 5.482 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.098 -5.360 2.727 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.399 -5.410 3.154 1.00 0.08 H new ATOM 0 HG LEU A 15 -3.967 -7.402 1.929 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.298 -9.122 3.564 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.343 -7.631 3.750 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.660 -7.994 4.891 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.622 -9.021 2.735 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.077 -7.904 4.043 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.366 -7.452 2.346 1.00 0.12 H new ATOM 228 N LEU A 16 -5.460 -3.295 4.726 1.00 0.10 N ATOM 229 CA LEU A 16 -5.378 -1.856 4.906 1.00 0.12 C ATOM 230 C LEU A 16 -5.265 -1.478 6.384 1.00 0.16 C ATOM 231 O LEU A 16 -4.621 -0.491 6.730 1.00 0.27 O ATOM 232 CB LEU A 16 -6.604 -1.214 4.261 1.00 0.10 C ATOM 233 CG LEU A 16 -6.891 -1.700 2.840 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.302 -1.325 2.416 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.865 -1.130 1.872 1.00 0.18 C ATOM 0 H LEU A 16 -6.320 -3.611 4.279 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.474 -1.484 4.423 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.475 -1.414 4.884 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.467 -0.133 4.243 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.815 -2.787 2.824 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.484 -1.681 1.402 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.020 -1.784 3.096 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.415 -0.241 2.446 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.080 -1.484 0.864 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.911 -0.041 1.892 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.867 -1.456 2.165 1.00 0.18 H new ATOM 247 N LYS A 17 -5.909 -2.245 7.253 1.00 0.14 N ATOM 248 CA LYS A 17 -5.824 -1.996 8.684 1.00 0.17 C ATOM 249 C LYS A 17 -4.542 -2.620 9.218 1.00 0.18 C ATOM 250 O LYS A 17 -4.016 -2.217 10.255 1.00 0.22 O ATOM 251 CB LYS A 17 -7.046 -2.565 9.405 1.00 0.19 C ATOM 252 CG LYS A 17 -8.344 -1.912 8.978 1.00 0.20 C ATOM 253 CD LYS A 17 -9.545 -2.644 9.547 1.00 0.24 C ATOM 254 CE LYS A 17 -10.834 -1.910 9.232 1.00 0.31 C ATOM 255 NZ LYS A 17 -12.032 -2.671 9.683 1.00 0.88 N ATOM 0 H LYS A 17 -6.493 -3.040 6.994 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.806 -0.921 8.866 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.106 -3.637 9.216 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.918 -2.438 10.480 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.358 -0.874 9.310 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.406 -1.899 7.890 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.588 -3.653 9.136 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.435 -2.744 10.627 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.822 -0.933 9.714 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.899 -1.735 8.158 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.846 -2.028 9.751 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -12.242 -3.425 8.998 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.845 -3.092 10.615 1.00 0.88 H new ATOM 269 N ASN A 18 -4.054 -3.614 8.482 1.00 0.14 N ATOM 270 CA ASN A 18 -2.818 -4.302 8.819 1.00 0.15 C ATOM 271 C ASN A 18 -1.812 -4.083 7.702 1.00 0.13 C ATOM 272 O ASN A 18 -1.442 -5.020 7.000 1.00 0.11 O ATOM 273 CB ASN A 18 -3.065 -5.805 9.000 1.00 0.16 C ATOM 274 CG ASN A 18 -2.180 -6.418 10.069 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.718 -5.730 10.980 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.947 -7.720 9.965 1.00 0.53 N ATOM 0 H ASN A 18 -4.506 -3.963 7.637 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.433 -3.902 9.757 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.110 -5.969 9.262 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.890 -6.315 8.053 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.364 -8.191 10.657 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.351 -8.250 9.193 1.00 0.53 H new ATOM 283 N ILE A 19 -1.395 -2.831 7.528 1.00 0.13 N ATOM 284 CA ILE A 19 -0.446 -2.474 6.477 1.00 0.12 C ATOM 285 C ILE A 19 0.663 -3.515 6.326 1.00 0.10 C ATOM 286 O ILE A 19 0.957 -3.934 5.209 1.00 0.09 O ATOM 287 CB ILE A 19 0.176 -1.084 6.709 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.881 0.032 6.604 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.310 -0.848 5.724 1.00 0.19 C ATOM 290 CD1 ILE A 19 -2.029 -0.251 5.654 1.00 0.49 C ATOM 0 H ILE A 19 -1.700 -2.046 8.103 1.00 0.13 H new ATOM 0 HA ILE A 19 -1.021 -2.446 5.552 1.00 0.12 H new ATOM 0 HB ILE A 19 0.578 -1.057 7.722 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.290 0.217 7.597 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.386 0.950 6.287 1.00 0.20 H new ATOM 0 HG21 ILE A 19 1.743 0.137 5.897 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.077 -1.610 5.862 1.00 0.19 H new ATOM 0 HG23 ILE A 19 0.925 -0.902 4.706 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -2.717 0.595 5.652 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -1.639 -0.404 4.648 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -2.557 -1.148 5.978 1.00 0.49 H new ATOM 302 N PRO A 20 1.317 -3.938 7.425 1.00 0.12 N ATOM 303 CA PRO A 20 2.364 -4.953 7.343 1.00 0.12 C ATOM 304 C PRO A 20 1.910 -6.129 6.492 1.00 0.11 C ATOM 305 O PRO A 20 2.656 -6.661 5.670 1.00 0.14 O ATOM 306 CB PRO A 20 2.537 -5.388 8.792 1.00 0.14 C ATOM 307 CG PRO A 20 2.204 -4.171 9.580 1.00 0.15 C ATOM 308 CD PRO A 20 1.118 -3.465 8.812 1.00 0.14 C ATOM 0 HA PRO A 20 3.282 -4.583 6.887 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.875 -6.217 9.041 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.555 -5.723 8.988 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.865 -4.435 10.582 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.078 -3.531 9.698 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.128 -3.724 9.187 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.213 -2.382 8.885 1.00 0.14 H new ATOM 316 N MET A 21 0.663 -6.518 6.716 1.00 0.10 N ATOM 317 CA MET A 21 0.031 -7.609 5.995 1.00 0.10 C ATOM 318 C MET A 21 -0.271 -7.171 4.562 1.00 0.08 C ATOM 319 O MET A 21 -0.135 -7.948 3.618 1.00 0.10 O ATOM 320 CB MET A 21 -1.250 -7.992 6.733 1.00 0.13 C ATOM 321 CG MET A 21 -1.626 -9.462 6.638 1.00 0.25 C ATOM 322 SD MET A 21 -0.959 -10.454 7.993 1.00 0.94 S ATOM 323 CE MET A 21 0.806 -10.276 7.743 1.00 0.54 C ATOM 0 H MET A 21 0.058 -6.080 7.410 1.00 0.10 H new ATOM 0 HA MET A 21 0.692 -8.474 5.949 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.140 -7.727 7.785 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.072 -7.395 6.338 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.712 -9.553 6.630 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.265 -9.863 5.691 1.00 0.25 H new ATOM 0 HE1 MET A 21 1.331 -11.065 8.282 1.00 0.54 H new ATOM 0 HE2 MET A 21 1.032 -10.351 6.679 1.00 0.54 H new ATOM 0 HE3 MET A 21 1.130 -9.304 8.115 1.00 0.54 H new ATOM 333 N TRP A 22 -0.708 -5.924 4.421 1.00 0.06 N ATOM 334 CA TRP A 22 -0.987 -5.338 3.116 1.00 0.06 C ATOM 335 C TRP A 22 0.219 -5.513 2.202 1.00 0.06 C ATOM 336 O TRP A 22 0.083 -5.760 1.004 1.00 0.08 O ATOM 337 CB TRP A 22 -1.308 -3.854 3.310 1.00 0.07 C ATOM 338 CG TRP A 22 -1.729 -3.134 2.069 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.963 -3.149 1.487 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.916 -2.273 1.268 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.967 -2.349 0.371 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.721 -1.803 0.213 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.417 -1.853 1.340 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.239 -0.938 -0.765 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.895 -0.994 0.366 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.069 -0.545 -0.673 1.00 0.11 C ATOM 0 H TRP A 22 -0.878 -5.294 5.205 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.838 -5.836 2.652 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.101 -3.763 4.052 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.429 -3.357 3.720 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.812 -3.708 1.851 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.767 -2.188 -0.240 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.059 -2.192 2.139 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.873 -0.590 -1.567 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.923 -0.664 0.407 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.473 0.125 -1.417 1.00 0.11 H new ATOM 357 N LEU A 23 1.401 -5.378 2.791 1.00 0.06 N ATOM 358 CA LEU A 23 2.656 -5.537 2.077 1.00 0.08 C ATOM 359 C LEU A 23 2.940 -7.007 1.798 1.00 0.10 C ATOM 360 O LEU A 23 3.647 -7.341 0.850 1.00 0.13 O ATOM 361 CB LEU A 23 3.787 -4.954 2.910 1.00 0.09 C ATOM 362 CG LEU A 23 3.765 -3.439 3.064 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.724 -3.010 4.160 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.115 -2.767 1.747 1.00 0.10 C ATOM 0 H LEU A 23 1.513 -5.155 3.780 1.00 0.06 H new ATOM 0 HA LEU A 23 2.582 -5.012 1.125 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.756 -5.404 3.902 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.736 -5.243 2.458 1.00 0.09 H new ATOM 0 HG LEU A 23 2.759 -3.129 3.346 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.700 -1.925 4.261 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.427 -3.469 5.103 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.735 -3.328 3.904 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.095 -1.685 1.874 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.112 -3.077 1.434 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.390 -3.057 0.987 1.00 0.10 H new ATOM 376 N LYS A 24 2.398 -7.882 2.643 1.00 0.10 N ATOM 377 CA LYS A 24 2.591 -9.308 2.489 1.00 0.13 C ATOM 378 C LYS A 24 2.081 -9.770 1.131 1.00 0.13 C ATOM 379 O LYS A 24 2.688 -10.622 0.482 1.00 0.16 O ATOM 380 CB LYS A 24 1.866 -10.035 3.608 1.00 0.17 C ATOM 381 CG LYS A 24 2.781 -10.856 4.494 1.00 0.51 C ATOM 382 CD LYS A 24 2.414 -12.324 4.446 1.00 1.24 C ATOM 383 CE LYS A 24 0.979 -12.536 4.891 1.00 2.30 C ATOM 384 NZ LYS A 24 0.408 -13.804 4.359 1.00 3.29 N ATOM 0 H LYS A 24 1.821 -7.619 3.442 1.00 0.10 H new ATOM 0 HA LYS A 24 3.655 -9.537 2.544 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.339 -9.305 4.222 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.111 -10.690 3.174 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.815 -10.726 4.174 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.717 -10.496 5.521 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.545 -12.703 3.432 1.00 1.24 H new ATOM 0 HD3 LYS A 24 3.086 -12.893 5.088 1.00 1.24 H new ATOM 0 HE2 LYS A 24 0.936 -12.549 5.980 1.00 2.30 H new ATOM 0 HE3 LYS A 24 0.369 -11.696 4.558 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 -0.573 -13.908 4.688 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 0.424 -13.783 3.319 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 0.974 -14.608 4.698 1.00 3.29 H new ATOM 398 N SER A 25 0.956 -9.199 0.708 1.00 0.13 N ATOM 399 CA SER A 25 0.367 -9.533 -0.581 1.00 0.15 C ATOM 400 C SER A 25 1.146 -8.855 -1.702 1.00 0.14 C ATOM 401 O SER A 25 0.900 -9.098 -2.882 1.00 0.20 O ATOM 402 CB SER A 25 -1.102 -9.103 -0.627 1.00 0.20 C ATOM 403 OG SER A 25 -1.691 -9.435 -1.872 1.00 0.96 O ATOM 0 H SER A 25 0.435 -8.503 1.241 1.00 0.13 H new ATOM 0 HA SER A 25 0.416 -10.613 -0.717 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.652 -9.588 0.180 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.175 -8.028 -0.462 1.00 0.20 H new ATOM 0 HG SER A 25 -1.020 -9.357 -2.582 1.00 0.96 H new ATOM 409 N LEU A 26 2.087 -7.997 -1.311 1.00 0.12 N ATOM 410 CA LEU A 26 2.925 -7.272 -2.261 1.00 0.13 C ATOM 411 C LEU A 26 4.371 -7.737 -2.161 1.00 0.16 C ATOM 412 O LEU A 26 5.241 -7.253 -2.885 1.00 0.28 O ATOM 413 CB LEU A 26 2.854 -5.769 -1.989 1.00 0.14 C ATOM 414 CG LEU A 26 1.447 -5.182 -1.989 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.475 -3.723 -1.560 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.819 -5.324 -3.363 1.00 0.66 C ATOM 0 H LEU A 26 2.288 -7.787 -0.333 1.00 0.12 H new ATOM 0 HA LEU A 26 2.555 -7.475 -3.266 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.316 -5.567 -1.023 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.448 -5.250 -2.741 1.00 0.14 H new ATOM 0 HG LEU A 26 0.840 -5.735 -1.272 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.461 -3.322 -1.567 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.889 -3.647 -0.554 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.095 -3.152 -2.251 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.185 -4.901 -3.349 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.426 -4.794 -4.097 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.765 -6.379 -3.631 1.00 0.66 H new ATOM 428 N ARG A 27 4.612 -8.670 -1.247 1.00 0.15 N ATOM 429 CA ARG A 27 5.946 -9.219 -1.024 1.00 0.21 C ATOM 430 C ARG A 27 6.883 -8.177 -0.424 1.00 0.21 C ATOM 431 O ARG A 27 8.090 -8.402 -0.328 1.00 0.35 O ATOM 432 CB ARG A 27 6.534 -9.773 -2.326 1.00 0.31 C ATOM 433 CG ARG A 27 5.928 -11.101 -2.746 1.00 1.11 C ATOM 434 CD ARG A 27 6.312 -12.211 -1.782 1.00 2.02 C ATOM 435 NE ARG A 27 7.677 -12.680 -2.002 1.00 2.71 N ATOM 436 CZ ARG A 27 8.307 -13.524 -1.190 1.00 3.55 C ATOM 437 NH1 ARG A 27 7.697 -13.988 -0.107 1.00 3.89 N ATOM 438 NH2 ARG A 27 9.548 -13.905 -1.459 1.00 4.34 N ATOM 0 H ARG A 27 3.893 -9.066 -0.642 1.00 0.15 H new ATOM 0 HA ARG A 27 5.847 -10.037 -0.311 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.382 -9.045 -3.123 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.611 -9.895 -2.206 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.842 -11.011 -2.787 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.265 -11.356 -3.751 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.213 -11.852 -0.758 1.00 2.02 H new ATOM 0 HD3 ARG A 27 5.620 -13.045 -1.895 1.00 2.02 H new ATOM 0 HE ARG A 27 8.176 -12.341 -2.825 1.00 2.71 H new ATOM 0 HH11 ARG A 27 6.742 -13.698 0.105 1.00 3.89 H new ATOM 0 HH12 ARG A 27 8.183 -14.635 0.514 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.021 -13.551 -2.290 1.00 4.34 H new ATOM 0 HH22 ARG A 27 10.029 -14.552 -0.835 1.00 4.34 H new ATOM 452 N LEU A 28 6.327 -7.040 -0.018 1.00 0.14 N ATOM 453 CA LEU A 28 7.125 -5.982 0.586 1.00 0.14 C ATOM 454 C LEU A 28 6.925 -5.950 2.093 1.00 0.13 C ATOM 455 O LEU A 28 7.118 -4.912 2.724 1.00 0.13 O ATOM 456 CB LEU A 28 6.777 -4.615 -0.011 1.00 0.16 C ATOM 457 CG LEU A 28 7.165 -4.421 -1.477 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.925 -4.237 -2.331 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.092 -3.226 -1.625 1.00 0.67 C ATOM 0 H LEU A 28 5.332 -6.829 -0.096 1.00 0.14 H new ATOM 0 HA LEU A 28 8.171 -6.198 0.371 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.703 -4.458 0.087 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.267 -3.843 0.582 1.00 0.16 H new ATOM 0 HG LEU A 28 7.692 -5.312 -1.818 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.217 -4.100 -3.372 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.290 -5.119 -2.245 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.375 -3.360 -1.990 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.359 -3.101 -2.674 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.587 -2.328 -1.269 1.00 0.67 H new ATOM 0 HD23 LEU A 28 8.995 -3.391 -1.038 1.00 0.67 H new ATOM 471 N HIS A 29 6.518 -7.082 2.677 1.00 0.13 N ATOM 472 CA HIS A 29 6.358 -7.150 4.125 1.00 0.13 C ATOM 473 C HIS A 29 7.706 -6.853 4.749 1.00 0.12 C ATOM 474 O HIS A 29 7.838 -6.634 5.952 1.00 0.13 O ATOM 475 CB HIS A 29 5.853 -8.519 4.578 1.00 0.14 C ATOM 476 CG HIS A 29 6.641 -9.664 4.024 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.305 -10.313 2.854 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.755 -10.282 4.487 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.177 -11.278 2.621 1.00 0.20 C ATOM 480 NE2 HIS A 29 8.067 -11.279 3.596 1.00 0.24 N ATOM 0 H HIS A 29 6.299 -7.944 2.178 1.00 0.13 H new ATOM 0 HA HIS A 29 5.612 -6.421 4.442 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.879 -8.564 5.667 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.810 -8.629 4.280 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.296 -10.036 5.389 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.164 -11.951 1.777 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.859 -11.917 3.675 1.00 0.24 H new ATOM 489 N LYS A 30 8.707 -6.879 3.883 1.00 0.12 N ATOM 490 CA LYS A 30 10.077 -6.577 4.244 1.00 0.12 C ATOM 491 C LYS A 30 10.128 -5.189 4.863 1.00 0.11 C ATOM 492 O LYS A 30 10.873 -4.931 5.810 1.00 0.17 O ATOM 493 CB LYS A 30 10.948 -6.629 2.984 1.00 0.15 C ATOM 494 CG LYS A 30 10.195 -6.322 1.708 1.00 0.28 C ATOM 495 CD LYS A 30 11.137 -5.932 0.588 1.00 0.59 C ATOM 496 CE LYS A 30 10.439 -5.979 -0.754 1.00 0.65 C ATOM 497 NZ LYS A 30 11.405 -6.069 -1.884 1.00 0.72 N ATOM 0 H LYS A 30 8.586 -7.114 2.898 1.00 0.12 H new ATOM 0 HA LYS A 30 10.450 -7.304 4.965 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.768 -5.919 3.091 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.394 -7.620 2.902 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.613 -7.194 1.409 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.487 -5.513 1.888 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.522 -4.928 0.766 1.00 0.59 H new ATOM 0 HD3 LYS A 30 11.994 -6.605 0.579 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.767 -6.837 -0.783 1.00 0.65 H new ATOM 0 HE3 LYS A 30 9.824 -5.087 -0.874 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.885 -6.099 -2.784 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.030 -5.238 -1.873 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 11.975 -6.933 -1.785 1.00 0.72 H new ATOM 511 N TYR A 31 9.311 -4.306 4.305 1.00 0.10 N ATOM 512 CA TYR A 31 9.205 -2.934 4.763 1.00 0.10 C ATOM 513 C TYR A 31 7.928 -2.736 5.566 1.00 0.11 C ATOM 514 O TYR A 31 7.383 -1.637 5.628 1.00 0.16 O ATOM 515 CB TYR A 31 9.243 -1.991 3.564 1.00 0.12 C ATOM 516 CG TYR A 31 10.518 -2.113 2.764 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.764 -2.039 3.378 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.472 -2.319 1.396 1.00 0.16 C ATOM 519 CE1 TYR A 31 12.928 -2.164 2.644 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.631 -2.448 0.655 1.00 0.20 C ATOM 521 CZ TYR A 31 12.857 -2.370 1.282 1.00 0.23 C ATOM 522 OH TYR A 31 14.012 -2.497 0.547 1.00 0.28 O ATOM 0 H TYR A 31 8.701 -4.526 3.518 1.00 0.10 H new ATOM 0 HA TYR A 31 10.048 -2.709 5.416 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.392 -2.200 2.916 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.135 -0.964 3.912 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.823 -1.881 4.445 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.515 -2.380 0.900 1.00 0.16 H new ATOM 0 HE1 TYR A 31 13.888 -2.101 3.134 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.577 -2.609 -0.412 1.00 0.20 H new ATOM 0 HH TYR A 31 13.786 -2.638 -0.396 1.00 0.28 H new ATOM 532 N SER A 32 7.454 -3.813 6.182 1.00 0.10 N ATOM 533 CA SER A 32 6.247 -3.754 6.992 1.00 0.12 C ATOM 534 C SER A 32 6.461 -2.845 8.186 1.00 0.13 C ATOM 535 O SER A 32 5.623 -2.008 8.491 1.00 0.16 O ATOM 536 CB SER A 32 5.840 -5.150 7.463 1.00 0.13 C ATOM 537 OG SER A 32 5.109 -5.832 6.461 1.00 1.30 O ATOM 0 H SER A 32 7.887 -4.735 6.135 1.00 0.10 H new ATOM 0 HA SER A 32 5.443 -3.350 6.377 1.00 0.12 H new ATOM 0 HB2 SER A 32 6.730 -5.724 7.723 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.237 -5.071 8.367 1.00 0.13 H new ATOM 0 HG SER A 32 4.726 -6.652 6.837 1.00 1.30 H new ATOM 543 N ASP A 33 7.591 -3.017 8.853 1.00 0.12 N ATOM 544 CA ASP A 33 7.922 -2.203 10.018 1.00 0.14 C ATOM 545 C ASP A 33 7.985 -0.721 9.653 1.00 0.14 C ATOM 546 O ASP A 33 7.389 0.124 10.322 1.00 0.20 O ATOM 547 CB ASP A 33 9.263 -2.644 10.602 1.00 0.17 C ATOM 548 CG ASP A 33 9.562 -1.980 11.933 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.124 -2.514 12.974 1.00 1.00 O ATOM 550 OD2 ASP A 33 10.233 -0.927 11.934 1.00 2.21 O ATOM 0 H ASP A 33 8.296 -3.712 8.610 1.00 0.12 H new ATOM 0 HA ASP A 33 7.137 -2.343 10.761 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.261 -3.726 10.732 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.059 -2.409 9.895 1.00 0.17 H new ATOM 555 N ALA A 34 8.715 -0.420 8.585 1.00 0.12 N ATOM 556 CA ALA A 34 8.883 0.955 8.116 1.00 0.13 C ATOM 557 C ALA A 34 7.593 1.551 7.576 1.00 0.12 C ATOM 558 O ALA A 34 7.391 2.764 7.636 1.00 0.15 O ATOM 559 CB ALA A 34 9.961 1.006 7.047 1.00 0.15 C ATOM 0 H ALA A 34 9.205 -1.115 8.022 1.00 0.12 H new ATOM 0 HA ALA A 34 9.179 1.555 8.977 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.082 2.033 6.701 1.00 0.15 H new ATOM 0 HB2 ALA A 34 10.903 0.650 7.463 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.672 0.372 6.208 1.00 0.15 H new ATOM 565 N LEU A 35 6.718 0.704 7.055 1.00 0.10 N ATOM 566 CA LEU A 35 5.473 1.176 6.469 1.00 0.09 C ATOM 567 C LEU A 35 4.270 0.947 7.384 1.00 0.09 C ATOM 568 O LEU A 35 3.172 1.420 7.097 1.00 0.12 O ATOM 569 CB LEU A 35 5.254 0.477 5.130 1.00 0.09 C ATOM 570 CG LEU A 35 6.203 0.893 3.994 1.00 0.19 C ATOM 571 CD1 LEU A 35 7.640 1.065 4.482 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.182 -0.153 2.900 1.00 0.14 C ATOM 0 H LEU A 35 6.846 -0.308 7.026 1.00 0.10 H new ATOM 0 HA LEU A 35 5.559 2.253 6.326 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.350 -0.598 5.283 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.229 0.663 4.808 1.00 0.09 H new ATOM 0 HG LEU A 35 5.853 1.853 3.615 1.00 0.19 H new ATOM 0 HD11 LEU A 35 8.275 1.359 3.646 1.00 0.47 H new ATOM 0 HD12 LEU A 35 7.673 1.836 5.252 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.999 0.123 4.896 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.856 0.146 2.097 1.00 0.14 H new ATOM 0 HD22 LEU A 35 6.505 -1.111 3.307 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.170 -0.248 2.507 1.00 0.14 H new ATOM 584 N SER A 36 4.475 0.231 8.486 1.00 0.10 N ATOM 585 CA SER A 36 3.387 -0.047 9.418 1.00 0.10 C ATOM 586 C SER A 36 2.951 1.226 10.129 1.00 0.10 C ATOM 587 O SER A 36 1.757 1.505 10.247 1.00 0.11 O ATOM 588 CB SER A 36 3.806 -1.091 10.455 1.00 0.13 C ATOM 589 OG SER A 36 2.761 -1.338 11.381 1.00 0.95 O ATOM 0 H SER A 36 5.376 -0.164 8.754 1.00 0.10 H new ATOM 0 HA SER A 36 2.551 -0.440 8.840 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.077 -2.019 9.952 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.693 -0.745 10.986 1.00 0.13 H new ATOM 0 HG SER A 36 3.053 -2.010 12.032 1.00 0.95 H new ATOM 595 N GLY A 37 3.930 1.990 10.608 1.00 0.12 N ATOM 596 CA GLY A 37 3.633 3.231 11.296 1.00 0.13 C ATOM 597 C GLY A 37 2.777 4.153 10.454 1.00 0.12 C ATOM 598 O GLY A 37 2.212 5.125 10.959 1.00 0.15 O ATOM 0 H GLY A 37 4.923 1.770 10.531 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.119 3.013 12.232 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.564 3.735 11.554 1.00 0.13 H new ATOM 602 N THR A 38 2.684 3.844 9.164 1.00 0.08 N ATOM 603 CA THR A 38 1.890 4.634 8.244 1.00 0.08 C ATOM 604 C THR A 38 0.682 3.830 7.755 1.00 0.07 C ATOM 605 O THR A 38 0.835 2.702 7.286 1.00 0.08 O ATOM 606 CB THR A 38 2.733 5.089 7.034 1.00 0.09 C ATOM 607 OG1 THR A 38 3.919 5.753 7.490 1.00 0.11 O ATOM 608 CG2 THR A 38 1.934 6.031 6.150 1.00 0.11 C ATOM 0 H THR A 38 3.154 3.046 8.736 1.00 0.08 H new ATOM 0 HA THR A 38 1.542 5.518 8.778 1.00 0.08 H new ATOM 0 HB THR A 38 3.007 4.208 6.453 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.192 6.424 6.830 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.545 6.341 5.302 1.00 0.11 H new ATOM 0 HG22 THR A 38 1.042 5.520 5.787 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.640 6.909 6.726 1.00 0.11 H new ATOM 616 N PRO A 39 -0.538 4.395 7.861 1.00 0.07 N ATOM 617 CA PRO A 39 -1.767 3.715 7.427 1.00 0.08 C ATOM 618 C PRO A 39 -1.829 3.576 5.918 1.00 0.07 C ATOM 619 O PRO A 39 -0.930 4.038 5.222 1.00 0.07 O ATOM 620 CB PRO A 39 -2.872 4.653 7.907 1.00 0.09 C ATOM 621 CG PRO A 39 -2.223 5.985 7.900 1.00 0.09 C ATOM 622 CD PRO A 39 -0.826 5.742 8.386 1.00 0.09 C ATOM 0 HA PRO A 39 -1.840 2.702 7.823 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.738 4.625 7.245 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.223 4.383 8.903 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.223 6.418 6.900 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.750 6.684 8.549 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.127 6.485 8.002 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.763 5.776 9.474 1.00 0.09 H new ATOM 630 N TRP A 40 -2.879 2.941 5.407 1.00 0.07 N ATOM 631 CA TRP A 40 -3.015 2.794 3.966 1.00 0.07 C ATOM 632 C TRP A 40 -3.317 4.139 3.332 1.00 0.07 C ATOM 633 O TRP A 40 -2.645 4.545 2.392 1.00 0.07 O ATOM 634 CB TRP A 40 -4.097 1.775 3.587 1.00 0.08 C ATOM 635 CG TRP A 40 -5.485 2.114 4.058 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.008 1.914 5.306 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.537 2.699 3.276 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.324 2.317 5.337 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.665 2.815 4.111 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.640 3.137 1.952 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.873 3.347 3.669 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.841 3.670 1.519 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.940 3.772 2.375 1.00 0.21 C ATOM 0 H TRP A 40 -3.632 2.529 5.957 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.066 2.416 3.585 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.113 1.672 2.502 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.818 0.804 3.995 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.467 1.500 6.145 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -7.944 2.254 6.144 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.798 3.061 1.280 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.726 3.420 4.327 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.931 4.014 0.499 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.862 4.196 2.005 1.00 0.21 H new ATOM 654 N ILE A 41 -4.307 4.842 3.879 1.00 0.08 N ATOM 655 CA ILE A 41 -4.704 6.145 3.358 1.00 0.09 C ATOM 656 C ILE A 41 -3.500 7.069 3.198 1.00 0.07 C ATOM 657 O ILE A 41 -3.526 8.001 2.394 1.00 0.08 O ATOM 658 CB ILE A 41 -5.753 6.822 4.263 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.544 7.860 3.464 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.088 7.468 5.475 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.033 7.590 3.435 1.00 0.45 C ATOM 0 H ILE A 41 -4.849 4.529 4.684 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.148 5.969 2.378 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.442 6.059 4.625 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.370 8.847 3.892 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.167 7.885 2.442 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.848 7.939 6.099 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.566 6.706 6.053 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.375 8.221 5.140 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.532 8.364 2.852 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.218 6.617 2.980 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.423 7.594 4.453 1.00 0.45 H new ATOM 673 N GLU A 42 -2.446 6.808 3.969 1.00 0.07 N ATOM 674 CA GLU A 42 -1.236 7.614 3.893 1.00 0.06 C ATOM 675 C GLU A 42 -0.209 6.915 3.014 1.00 0.06 C ATOM 676 O GLU A 42 0.513 7.553 2.249 1.00 0.07 O ATOM 677 CB GLU A 42 -0.661 7.866 5.286 1.00 0.07 C ATOM 678 CG GLU A 42 -1.486 8.832 6.121 1.00 0.09 C ATOM 679 CD GLU A 42 -1.557 10.219 5.511 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.680 11.052 5.825 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.488 10.472 4.718 1.00 2.15 O ATOM 0 H GLU A 42 -2.408 6.049 4.649 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.486 8.579 3.453 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.584 6.916 5.815 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.351 8.258 5.186 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.496 8.437 6.234 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.056 8.901 7.120 1.00 0.09 H new ATOM 688 N LEU A 43 -0.163 5.592 3.133 1.00 0.06 N ATOM 689 CA LEU A 43 0.744 4.770 2.342 1.00 0.07 C ATOM 690 C LEU A 43 0.506 5.039 0.869 1.00 0.08 C ATOM 691 O LEU A 43 1.387 5.499 0.145 1.00 0.10 O ATOM 692 CB LEU A 43 0.478 3.295 2.627 1.00 0.08 C ATOM 693 CG LEU A 43 1.665 2.488 3.163 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.838 2.551 2.202 1.00 0.11 C ATOM 695 CD2 LEU A 43 2.076 2.990 4.534 1.00 0.09 C ATOM 0 H LEU A 43 -0.750 5.062 3.777 1.00 0.06 H new ATOM 0 HA LEU A 43 1.774 5.013 2.603 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.337 3.226 3.347 1.00 0.08 H new ATOM 0 HB3 LEU A 43 0.131 2.825 1.707 1.00 0.08 H new ATOM 0 HG LEU A 43 1.354 1.447 3.255 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.669 1.971 2.604 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.541 2.139 1.238 1.00 0.11 H new ATOM 0 HD13 LEU A 43 3.148 3.588 2.074 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.920 2.404 4.898 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.364 4.039 4.466 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.239 2.888 5.225 1.00 0.09 H new ATOM 707 N ILE A 44 -0.709 4.729 0.448 1.00 0.09 N ATOM 708 CA ILE A 44 -1.151 4.928 -0.919 1.00 0.10 C ATOM 709 C ILE A 44 -0.931 6.364 -1.383 1.00 0.10 C ATOM 710 O ILE A 44 -0.918 6.645 -2.581 1.00 0.15 O ATOM 711 CB ILE A 44 -2.642 4.600 -1.034 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.464 5.596 -0.214 1.00 0.14 C ATOM 713 CG2 ILE A 44 -2.893 3.179 -0.552 1.00 0.15 C ATOM 714 CD1 ILE A 44 -4.902 5.656 -0.611 1.00 0.20 C ATOM 0 H ILE A 44 -1.424 4.327 1.055 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.561 4.265 -1.552 1.00 0.10 H new ATOM 0 HB ILE A 44 -2.947 4.677 -2.077 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.398 5.327 0.840 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.026 6.588 -0.318 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -3.955 2.949 -0.635 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.321 2.481 -1.164 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.582 3.088 0.489 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.422 6.383 0.013 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -4.979 5.955 -1.656 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.357 4.674 -0.480 1.00 0.20 H new ATOM 726 N TYR A 45 -0.769 7.270 -0.428 1.00 0.08 N ATOM 727 CA TYR A 45 -0.569 8.680 -0.747 1.00 0.08 C ATOM 728 C TYR A 45 0.913 9.057 -0.733 1.00 0.08 C ATOM 729 O TYR A 45 1.288 10.130 -1.206 1.00 0.10 O ATOM 730 CB TYR A 45 -1.356 9.559 0.228 1.00 0.10 C ATOM 731 CG TYR A 45 -2.808 9.799 -0.159 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.482 8.954 -1.043 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.507 10.876 0.372 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.808 9.183 -1.380 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.827 11.109 0.039 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.472 10.260 -0.835 1.00 0.16 C ATOM 737 OH TYR A 45 -6.788 10.491 -1.168 1.00 0.19 O ATOM 0 H TYR A 45 -0.772 7.057 0.569 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.940 8.850 -1.758 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.329 9.097 1.215 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.853 10.522 0.314 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -2.963 8.109 -1.471 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -3.008 11.544 1.059 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.317 8.521 -2.065 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.352 11.953 0.462 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.109 11.288 -0.698 1.00 0.19 H new ATOM 747 N LEU A 46 1.751 8.177 -0.185 1.00 0.08 N ATOM 748 CA LEU A 46 3.189 8.425 -0.133 1.00 0.09 C ATOM 749 C LEU A 46 3.775 8.523 -1.535 1.00 0.09 C ATOM 750 O LEU A 46 3.053 8.644 -2.525 1.00 0.11 O ATOM 751 CB LEU A 46 3.922 7.296 0.598 1.00 0.10 C ATOM 752 CG LEU A 46 3.479 7.002 2.030 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.421 5.991 2.663 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.435 8.273 2.861 1.00 0.12 C ATOM 0 H LEU A 46 1.459 7.291 0.227 1.00 0.08 H new ATOM 0 HA LEU A 46 3.325 9.365 0.402 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.809 6.383 0.013 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.985 7.535 0.614 1.00 0.10 H new ATOM 0 HG LEU A 46 2.472 6.586 2.000 1.00 0.11 H new ATOM 0 HD11 LEU A 46 4.101 5.785 3.684 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.406 5.067 2.084 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.433 6.395 2.675 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.117 8.034 3.876 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.427 8.724 2.889 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.730 8.975 2.416 1.00 0.12 H new ATOM 766 N ASP A 47 5.097 8.460 -1.598 1.00 0.09 N ATOM 767 CA ASP A 47 5.814 8.510 -2.860 1.00 0.10 C ATOM 768 C ASP A 47 7.100 7.708 -2.748 1.00 0.10 C ATOM 769 O ASP A 47 7.482 7.297 -1.653 1.00 0.16 O ATOM 770 CB ASP A 47 6.132 9.955 -3.248 1.00 0.11 C ATOM 771 CG ASP A 47 4.887 10.808 -3.384 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.321 10.857 -4.497 1.00 1.31 O ATOM 773 OD2 ASP A 47 4.478 11.427 -2.380 1.00 0.96 O ATOM 0 H ASP A 47 5.699 8.373 -0.779 1.00 0.09 H new ATOM 0 HA ASP A 47 5.182 8.079 -3.637 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.788 10.393 -2.496 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.678 9.962 -4.191 1.00 0.11 H new ATOM 778 N ASP A 48 7.756 7.476 -3.876 1.00 0.12 N ATOM 779 CA ASP A 48 8.996 6.734 -3.893 1.00 0.14 C ATOM 780 C ASP A 48 9.946 7.270 -2.831 1.00 0.14 C ATOM 781 O ASP A 48 10.464 6.518 -2.006 1.00 0.21 O ATOM 782 CB ASP A 48 9.627 6.843 -5.276 1.00 0.17 C ATOM 783 CG ASP A 48 9.640 8.266 -5.800 1.00 1.06 C ATOM 784 OD1 ASP A 48 8.633 8.683 -6.410 1.00 1.73 O ATOM 785 OD2 ASP A 48 10.656 8.963 -5.599 1.00 1.65 O ATOM 0 H ASP A 48 7.443 7.795 -4.793 1.00 0.12 H new ATOM 0 HA ASP A 48 8.795 5.686 -3.671 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.649 6.465 -5.236 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.079 6.208 -5.972 1.00 0.17 H new ATOM 790 N GLU A 49 10.154 8.581 -2.854 1.00 0.14 N ATOM 791 CA GLU A 49 11.031 9.238 -1.887 1.00 0.16 C ATOM 792 C GLU A 49 10.650 8.866 -0.460 1.00 0.13 C ATOM 793 O GLU A 49 11.454 8.291 0.270 1.00 0.19 O ATOM 794 CB GLU A 49 10.980 10.759 -2.046 1.00 0.23 C ATOM 795 CG GLU A 49 11.846 11.504 -1.038 1.00 0.37 C ATOM 796 CD GLU A 49 11.709 13.010 -1.153 1.00 0.46 C ATOM 797 OE1 GLU A 49 12.430 13.611 -1.978 1.00 0.51 O ATOM 798 OE2 GLU A 49 10.880 13.589 -0.420 1.00 0.52 O ATOM 0 H GLU A 49 9.728 9.213 -3.532 1.00 0.14 H new ATOM 0 HA GLU A 49 12.046 8.893 -2.084 1.00 0.16 H new ATOM 0 HB2 GLU A 49 11.301 11.022 -3.054 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.947 11.093 -1.943 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.572 11.194 -0.030 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.890 11.225 -1.185 1.00 0.37 H new ATOM 805 N THR A 50 9.416 9.192 -0.071 1.00 0.11 N ATOM 806 CA THR A 50 8.936 8.900 1.273 1.00 0.10 C ATOM 807 C THR A 50 9.219 7.454 1.646 1.00 0.09 C ATOM 808 O THR A 50 9.731 7.176 2.726 1.00 0.13 O ATOM 809 CB THR A 50 7.428 9.167 1.407 1.00 0.12 C ATOM 810 OG1 THR A 50 7.133 10.521 1.041 1.00 0.19 O ATOM 811 CG2 THR A 50 6.964 8.911 2.833 1.00 0.14 C ATOM 0 H THR A 50 8.734 9.658 -0.670 1.00 0.11 H new ATOM 0 HA THR A 50 9.471 9.564 1.952 1.00 0.10 H new ATOM 0 HB THR A 50 6.899 8.489 0.738 1.00 0.12 H new ATOM 0 HG1 THR A 50 6.170 10.681 1.128 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.894 9.105 2.908 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.164 7.873 3.100 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.501 9.571 3.514 1.00 0.14 H new ATOM 819 N LEU A 51 8.887 6.541 0.740 1.00 0.09 N ATOM 820 CA LEU A 51 9.111 5.120 0.962 1.00 0.11 C ATOM 821 C LEU A 51 10.553 4.870 1.380 1.00 0.11 C ATOM 822 O LEU A 51 10.823 4.059 2.263 1.00 0.14 O ATOM 823 CB LEU A 51 8.774 4.338 -0.306 1.00 0.12 C ATOM 824 CG LEU A 51 7.282 4.079 -0.517 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.025 3.538 -1.913 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.756 3.113 0.535 1.00 0.74 C ATOM 0 H LEU A 51 8.460 6.763 -0.159 1.00 0.09 H new ATOM 0 HA LEU A 51 8.460 4.779 1.767 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.160 4.884 -1.167 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.295 3.381 -0.276 1.00 0.12 H new ATOM 0 HG LEU A 51 6.751 5.025 -0.414 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.958 3.360 -2.043 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.365 4.263 -2.652 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.568 2.602 -2.046 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.693 2.939 0.370 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.294 2.168 0.462 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.905 3.539 1.527 1.00 0.74 H new ATOM 838 N GLU A 52 11.474 5.578 0.739 1.00 0.10 N ATOM 839 CA GLU A 52 12.888 5.460 1.064 1.00 0.13 C ATOM 840 C GLU A 52 13.120 5.979 2.471 1.00 0.13 C ATOM 841 O GLU A 52 13.917 5.436 3.236 1.00 0.16 O ATOM 842 CB GLU A 52 13.722 6.273 0.075 1.00 0.16 C ATOM 843 CG GLU A 52 15.135 5.744 -0.115 1.00 0.33 C ATOM 844 CD GLU A 52 15.946 6.585 -1.080 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.454 7.648 -0.661 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.077 6.181 -2.254 1.00 0.52 O ATOM 0 H GLU A 52 11.266 6.240 -0.009 1.00 0.10 H new ATOM 0 HA GLU A 52 13.187 4.414 1.002 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.215 6.285 -0.890 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.774 7.306 0.420 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.641 5.715 0.850 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.089 4.719 -0.482 1.00 0.33 H new ATOM 853 N LYS A 53 12.400 7.043 2.791 1.00 0.13 N ATOM 854 CA LYS A 53 12.485 7.677 4.100 1.00 0.16 C ATOM 855 C LYS A 53 12.004 6.732 5.203 1.00 0.18 C ATOM 856 O LYS A 53 12.474 6.805 6.339 1.00 0.25 O ATOM 857 CB LYS A 53 11.670 8.968 4.103 1.00 0.17 C ATOM 858 CG LYS A 53 11.959 9.845 2.896 1.00 0.42 C ATOM 859 CD LYS A 53 13.281 10.580 3.036 1.00 0.60 C ATOM 860 CE LYS A 53 13.221 11.582 4.167 1.00 1.54 C ATOM 861 NZ LYS A 53 13.540 12.964 3.710 1.00 2.19 N ATOM 0 H LYS A 53 11.742 7.491 2.154 1.00 0.13 H new ATOM 0 HA LYS A 53 13.529 7.916 4.302 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.608 8.723 4.123 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.885 9.527 5.014 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.979 9.230 1.996 1.00 0.42 H new ATOM 0 HG3 LYS A 53 11.153 10.568 2.771 1.00 0.42 H new ATOM 0 HD2 LYS A 53 14.082 9.864 3.220 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.519 11.091 2.103 1.00 0.60 H new ATOM 0 HE2 LYS A 53 12.225 11.568 4.610 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.922 11.288 4.948 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 13.487 13.618 4.517 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 14.500 12.985 3.310 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 12.856 13.256 2.983 1.00 2.19 H new ATOM 875 N LYS A 54 11.065 5.844 4.864 1.00 0.13 N ATOM 876 CA LYS A 54 10.546 4.877 5.829 1.00 0.16 C ATOM 877 C LYS A 54 11.567 3.769 6.022 1.00 0.17 C ATOM 878 O LYS A 54 12.010 3.487 7.135 1.00 0.21 O ATOM 879 CB LYS A 54 9.228 4.250 5.343 1.00 0.16 C ATOM 880 CG LYS A 54 8.436 5.110 4.363 1.00 0.25 C ATOM 881 CD LYS A 54 7.894 6.387 4.987 1.00 0.39 C ATOM 882 CE LYS A 54 6.858 6.113 6.063 1.00 0.30 C ATOM 883 NZ LYS A 54 7.474 5.728 7.363 1.00 1.20 N ATOM 0 H LYS A 54 10.652 5.776 3.934 1.00 0.13 H new ATOM 0 HA LYS A 54 10.358 5.401 6.766 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.449 3.294 4.869 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.601 4.039 6.209 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.075 5.369 3.519 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.605 4.526 3.967 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.718 6.956 5.417 1.00 0.39 H new ATOM 0 HD3 LYS A 54 7.450 7.008 4.209 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.243 7.002 6.205 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.194 5.316 5.729 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 7.436 4.694 7.473 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 8.465 6.042 7.384 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.952 6.178 8.142 1.00 1.20 H new ATOM 897 N GLY A 55 11.928 3.153 4.904 1.00 0.19 N ATOM 898 CA GLY A 55 12.890 2.071 4.905 1.00 0.23 C ATOM 899 C GLY A 55 13.002 1.426 3.538 1.00 0.25 C ATOM 900 O GLY A 55 13.962 0.707 3.257 1.00 0.38 O ATOM 0 H GLY A 55 11.563 3.390 3.981 1.00 0.19 H new ATOM 0 HA2 GLY A 55 13.865 2.450 5.211 1.00 0.23 H new ATOM 0 HA3 GLY A 55 12.595 1.321 5.639 1.00 0.23 H new ATOM 904 N VAL A 56 12.004 1.681 2.693 1.00 0.17 N ATOM 905 CA VAL A 56 11.982 1.148 1.338 1.00 0.21 C ATOM 906 C VAL A 56 13.061 1.818 0.493 1.00 0.40 C ATOM 907 O VAL A 56 12.786 2.732 -0.284 1.00 0.89 O ATOM 908 CB VAL A 56 10.605 1.366 0.677 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.423 0.441 -0.513 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.482 1.160 1.682 1.00 0.17 C ATOM 0 H VAL A 56 11.196 2.258 2.928 1.00 0.17 H new ATOM 0 HA VAL A 56 12.174 0.077 1.397 1.00 0.21 H new ATOM 0 HB VAL A 56 10.565 2.396 0.322 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.445 0.614 -0.962 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.201 0.639 -1.250 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.493 -0.595 -0.182 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.521 1.319 1.192 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.526 0.144 2.073 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.593 1.869 2.502 1.00 0.17 H new ATOM 920 N LEU A 57 14.289 1.340 0.649 1.00 0.21 N ATOM 921 CA LEU A 57 15.440 1.895 -0.059 1.00 0.26 C ATOM 922 C LEU A 57 15.514 1.405 -1.501 1.00 0.36 C ATOM 923 O LEU A 57 15.999 2.116 -2.381 1.00 0.83 O ATOM 924 CB LEU A 57 16.721 1.520 0.691 1.00 0.34 C ATOM 925 CG LEU A 57 17.100 2.424 1.878 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.890 3.171 2.422 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.742 1.599 2.982 1.00 0.55 C ATOM 0 H LEU A 57 14.517 0.561 1.266 1.00 0.21 H new ATOM 0 HA LEU A 57 15.329 2.979 -0.092 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.618 0.498 1.057 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.548 1.522 -0.019 1.00 0.34 H new ATOM 0 HG LEU A 57 17.815 3.163 1.517 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.196 3.799 3.259 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.464 3.795 1.636 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.142 2.454 2.761 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.006 2.250 3.816 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.040 0.838 3.323 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.642 1.117 2.600 1.00 0.55 H new ATOM 939 N ALA A 58 15.035 0.191 -1.736 1.00 0.21 N ATOM 940 CA ALA A 58 15.053 -0.393 -3.069 1.00 0.17 C ATOM 941 C ALA A 58 14.282 0.447 -4.060 1.00 0.13 C ATOM 942 O ALA A 58 13.058 0.535 -3.988 1.00 0.12 O ATOM 943 CB ALA A 58 14.467 -1.790 -3.037 1.00 0.18 C ATOM 0 H ALA A 58 14.628 -0.409 -1.019 1.00 0.21 H new ATOM 0 HA ALA A 58 16.094 -0.433 -3.391 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.486 -2.216 -4.040 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.055 -2.416 -2.366 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.437 -1.745 -2.682 1.00 0.18 H new ATOM 949 N LEU A 59 15.003 1.071 -4.983 1.00 0.14 N ATOM 950 CA LEU A 59 14.367 1.866 -6.008 1.00 0.13 C ATOM 951 C LEU A 59 13.305 1.023 -6.686 1.00 0.12 C ATOM 952 O LEU A 59 12.299 1.531 -7.172 1.00 0.14 O ATOM 953 CB LEU A 59 15.389 2.344 -7.045 1.00 0.15 C ATOM 954 CG LEU A 59 15.605 3.855 -7.105 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.272 4.571 -7.203 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.388 4.334 -5.891 1.00 0.27 C ATOM 0 H LEU A 59 16.021 1.038 -5.037 1.00 0.14 H new ATOM 0 HA LEU A 59 13.917 2.746 -5.549 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.346 1.866 -6.835 1.00 0.15 H new ATOM 0 HB3 LEU A 59 15.070 2.000 -8.029 1.00 0.15 H new ATOM 0 HG LEU A 59 16.189 4.088 -7.996 1.00 0.19 H new ATOM 0 HD11 LEU A 59 14.439 5.647 -7.245 1.00 0.24 H new ATOM 0 HD12 LEU A 59 13.752 4.249 -8.105 1.00 0.24 H new ATOM 0 HD13 LEU A 59 13.666 4.332 -6.329 1.00 0.24 H new ATOM 0 HD21 LEU A 59 16.531 5.413 -5.953 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.835 4.093 -4.983 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.359 3.840 -5.866 1.00 0.27 H new ATOM 968 N GLY A 60 13.555 -0.282 -6.706 1.00 0.12 N ATOM 969 CA GLY A 60 12.631 -1.212 -7.307 1.00 0.12 C ATOM 970 C GLY A 60 11.404 -1.460 -6.451 1.00 0.11 C ATOM 971 O GLY A 60 10.297 -1.558 -6.967 1.00 0.14 O ATOM 0 H GLY A 60 14.392 -0.711 -6.311 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.319 -0.830 -8.279 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.141 -2.159 -7.486 1.00 0.12 H new ATOM 975 N ALA A 61 11.605 -1.565 -5.139 1.00 0.10 N ATOM 976 CA ALA A 61 10.508 -1.822 -4.206 1.00 0.10 C ATOM 977 C ALA A 61 9.613 -0.600 -3.992 1.00 0.11 C ATOM 978 O ALA A 61 8.389 -0.706 -4.062 1.00 0.16 O ATOM 979 CB ALA A 61 11.057 -2.308 -2.874 1.00 0.13 C ATOM 0 H ALA A 61 12.520 -1.476 -4.696 1.00 0.10 H new ATOM 0 HA ALA A 61 9.886 -2.597 -4.653 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.232 -2.496 -2.187 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.619 -3.229 -3.027 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.714 -1.548 -2.452 1.00 0.13 H new ATOM 985 N ARG A 62 10.221 0.557 -3.731 1.00 0.14 N ATOM 986 CA ARG A 62 9.456 1.772 -3.476 1.00 0.16 C ATOM 987 C ARG A 62 8.724 2.271 -4.709 1.00 0.11 C ATOM 988 O ARG A 62 7.498 2.371 -4.706 1.00 0.11 O ATOM 989 CB ARG A 62 10.356 2.873 -2.909 1.00 0.23 C ATOM 990 CG ARG A 62 11.481 3.327 -3.823 1.00 0.32 C ATOM 991 CD ARG A 62 12.398 4.304 -3.105 1.00 0.23 C ATOM 992 NE ARG A 62 13.349 4.943 -4.012 1.00 0.21 N ATOM 993 CZ ARG A 62 13.659 6.236 -3.961 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.100 7.020 -3.049 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.529 6.749 -4.820 1.00 0.48 N ATOM 0 H ARG A 62 11.233 0.676 -3.691 1.00 0.14 H new ATOM 0 HA ARG A 62 8.699 1.514 -2.735 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.737 3.736 -2.666 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.790 2.519 -1.974 1.00 0.23 H new ATOM 0 HG2 ARG A 62 12.054 2.463 -4.159 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.065 3.799 -4.713 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.797 5.070 -2.615 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.944 3.778 -2.322 1.00 0.23 H new ATOM 0 HE ARG A 62 13.800 4.367 -4.723 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.431 6.632 -2.384 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.340 8.011 -3.012 1.00 0.81 H new ATOM 0 HH21 ARG A 62 14.964 6.152 -5.524 1.00 0.48 H new ATOM 0 HH22 ARG A 62 14.764 7.741 -4.777 1.00 0.48 H new ATOM 1009 N ARG A 63 9.469 2.598 -5.751 1.00 0.12 N ATOM 1010 CA ARG A 63 8.864 3.085 -6.980 1.00 0.13 C ATOM 1011 C ARG A 63 7.771 2.120 -7.429 1.00 0.12 C ATOM 1012 O ARG A 63 6.863 2.491 -8.173 1.00 0.14 O ATOM 1013 CB ARG A 63 9.918 3.256 -8.079 1.00 0.16 C ATOM 1014 CG ARG A 63 10.088 2.036 -8.965 1.00 0.79 C ATOM 1015 CD ARG A 63 11.131 2.275 -10.046 1.00 0.75 C ATOM 1016 NE ARG A 63 10.725 3.336 -10.965 1.00 1.33 N ATOM 1017 CZ ARG A 63 10.846 3.257 -12.288 1.00 1.56 C ATOM 1018 NH1 ARG A 63 11.364 2.173 -12.850 1.00 1.33 N ATOM 1019 NH2 ARG A 63 10.445 4.265 -13.052 1.00 2.47 N ATOM 0 H ARG A 63 10.487 2.536 -5.772 1.00 0.12 H new ATOM 0 HA ARG A 63 8.421 4.063 -6.790 1.00 0.13 H new ATOM 0 HB2 ARG A 63 9.645 4.109 -8.701 1.00 0.16 H new ATOM 0 HB3 ARG A 63 10.876 3.493 -7.616 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.382 1.181 -8.356 1.00 0.79 H new ATOM 0 HG3 ARG A 63 9.134 1.785 -9.428 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.081 2.539 -9.582 1.00 0.75 H new ATOM 0 HD3 ARG A 63 11.294 1.353 -10.604 1.00 0.75 H new ATOM 0 HE ARG A 63 10.325 4.187 -10.569 1.00 1.33 H new ATOM 0 HH11 ARG A 63 11.672 1.394 -12.268 1.00 1.33 H new ATOM 0 HH12 ARG A 63 11.454 2.118 -13.865 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.044 5.100 -12.625 1.00 2.47 H new ATOM 0 HH22 ARG A 63 10.538 4.205 -14.066 1.00 2.47 H new ATOM 1033 N LYS A 64 7.875 0.873 -6.965 1.00 0.10 N ATOM 1034 CA LYS A 64 6.896 -0.157 -7.299 1.00 0.13 C ATOM 1035 C LYS A 64 5.640 -0.009 -6.452 1.00 0.11 C ATOM 1036 O LYS A 64 4.527 -0.189 -6.944 1.00 0.12 O ATOM 1037 CB LYS A 64 7.498 -1.544 -7.096 1.00 0.18 C ATOM 1038 CG LYS A 64 6.519 -2.680 -7.341 1.00 0.76 C ATOM 1039 CD LYS A 64 7.195 -4.038 -7.233 1.00 1.33 C ATOM 1040 CE LYS A 64 7.898 -4.426 -8.526 1.00 1.80 C ATOM 1041 NZ LYS A 64 9.032 -3.515 -8.845 1.00 2.52 N ATOM 0 H LYS A 64 8.629 0.554 -6.356 1.00 0.10 H new ATOM 0 HA LYS A 64 6.622 -0.036 -8.347 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.351 -1.661 -7.765 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.879 -1.619 -6.078 1.00 0.18 H new ATOM 0 HG2 LYS A 64 5.704 -2.621 -6.619 1.00 0.76 H new ATOM 0 HG3 LYS A 64 6.076 -2.572 -8.331 1.00 0.76 H new ATOM 0 HD2 LYS A 64 7.918 -4.020 -6.418 1.00 1.33 H new ATOM 0 HD3 LYS A 64 6.452 -4.795 -6.983 1.00 1.33 H new ATOM 0 HE2 LYS A 64 8.267 -5.448 -8.444 1.00 1.80 H new ATOM 0 HE3 LYS A 64 7.180 -4.411 -9.346 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 9.729 -4.019 -9.430 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 8.677 -2.688 -9.366 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 9.483 -3.200 -7.962 1.00 2.52 H new ATOM 1055 N LEU A 65 5.825 0.299 -5.172 1.00 0.11 N ATOM 1056 CA LEU A 65 4.700 0.479 -4.268 1.00 0.11 C ATOM 1057 C LEU A 65 3.778 1.572 -4.780 1.00 0.08 C ATOM 1058 O LEU A 65 2.586 1.588 -4.479 1.00 0.09 O ATOM 1059 CB LEU A 65 5.187 0.824 -2.868 1.00 0.13 C ATOM 1060 CG LEU A 65 5.325 -0.371 -1.933 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.584 -0.241 -1.102 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.099 -0.496 -1.044 1.00 0.23 C ATOM 0 H LEU A 65 6.740 0.428 -4.741 1.00 0.11 H new ATOM 0 HA LEU A 65 4.146 -0.458 -4.224 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.154 1.321 -2.946 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.495 1.539 -2.423 1.00 0.13 H new ATOM 0 HG LEU A 65 5.401 -1.278 -2.532 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.672 -1.101 -0.438 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.452 -0.201 -1.760 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.536 0.672 -0.509 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.215 -1.355 -0.383 1.00 0.23 H new ATOM 0 HD22 LEU A 65 3.989 0.409 -0.447 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.213 -0.632 -1.664 1.00 0.23 H new ATOM 1074 N LEU A 66 4.346 2.488 -5.559 1.00 0.08 N ATOM 1075 CA LEU A 66 3.583 3.588 -6.126 1.00 0.09 C ATOM 1076 C LEU A 66 2.490 3.059 -7.042 1.00 0.11 C ATOM 1077 O LEU A 66 1.509 3.749 -7.319 1.00 0.14 O ATOM 1078 CB LEU A 66 4.506 4.541 -6.885 1.00 0.11 C ATOM 1079 CG LEU A 66 5.186 5.600 -6.015 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.576 5.915 -6.539 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.338 6.862 -5.956 1.00 0.14 C ATOM 0 H LEU A 66 5.334 2.487 -5.811 1.00 0.08 H new ATOM 0 HA LEU A 66 3.112 4.140 -5.312 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.275 3.956 -7.389 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.928 5.044 -7.661 1.00 0.11 H new ATOM 0 HG LEU A 66 5.286 5.202 -5.005 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.041 6.670 -5.906 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.182 5.009 -6.529 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.503 6.292 -7.559 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.835 7.606 -5.333 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.207 7.260 -6.962 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.363 6.626 -5.530 1.00 0.14 H new ATOM 1093 N LYS A 67 2.667 1.827 -7.513 1.00 0.12 N ATOM 1094 CA LYS A 67 1.687 1.199 -8.376 1.00 0.16 C ATOM 1095 C LYS A 67 0.534 0.702 -7.521 1.00 0.14 C ATOM 1096 O LYS A 67 -0.632 0.790 -7.906 1.00 0.16 O ATOM 1097 CB LYS A 67 2.327 0.048 -9.151 1.00 0.22 C ATOM 1098 CG LYS A 67 1.703 -0.193 -10.518 1.00 0.84 C ATOM 1099 CD LYS A 67 0.438 -1.031 -10.429 1.00 1.26 C ATOM 1100 CE LYS A 67 0.757 -2.514 -10.404 1.00 1.56 C ATOM 1101 NZ LYS A 67 -0.473 -3.353 -10.414 1.00 2.20 N ATOM 0 H LYS A 67 3.482 1.249 -7.308 1.00 0.12 H new ATOM 0 HA LYS A 67 1.312 1.920 -9.102 1.00 0.16 H new ATOM 0 HB2 LYS A 67 3.390 0.254 -9.278 1.00 0.22 H new ATOM 0 HB3 LYS A 67 2.248 -0.864 -8.560 1.00 0.22 H new ATOM 0 HG2 LYS A 67 1.471 0.765 -10.984 1.00 0.84 H new ATOM 0 HG3 LYS A 67 2.425 -0.695 -11.162 1.00 0.84 H new ATOM 0 HD2 LYS A 67 -0.116 -0.761 -9.530 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.207 -0.810 -11.279 1.00 1.26 H new ATOM 0 HE2 LYS A 67 1.374 -2.766 -11.267 1.00 1.56 H new ATOM 0 HE3 LYS A 67 1.344 -2.743 -9.515 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 -0.326 -4.177 -11.031 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 -0.680 -3.676 -9.448 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 -1.273 -2.792 -10.771 1.00 2.20 H new ATOM 1115 N ALA A 68 0.883 0.178 -6.346 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.106 -0.317 -5.400 1.00 0.14 C ATOM 1117 C ALA A 68 -0.830 0.849 -4.742 1.00 0.13 C ATOM 1118 O ALA A 68 -1.978 0.731 -4.322 1.00 0.23 O ATOM 1119 CB ALA A 68 0.556 -1.196 -4.345 1.00 0.17 C ATOM 0 H ALA A 68 1.848 0.087 -6.030 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.834 -0.921 -5.941 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.199 -1.557 -3.646 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.038 -2.045 -4.829 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.303 -0.615 -3.804 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.136 1.979 -4.668 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.676 3.189 -4.067 1.00 0.11 C ATOM 1127 C PHE A 69 -1.902 3.688 -4.827 1.00 0.10 C ATOM 1128 O PHE A 69 -2.894 4.101 -4.225 1.00 0.12 O ATOM 1129 CB PHE A 69 0.399 4.283 -4.063 1.00 0.11 C ATOM 1130 CG PHE A 69 1.485 4.124 -3.022 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.459 3.091 -2.091 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.536 5.027 -2.975 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.457 2.971 -1.142 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.536 4.909 -2.029 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.495 3.879 -1.109 1.00 0.12 C ATOM 0 H PHE A 69 0.815 2.080 -5.023 1.00 0.11 H new ATOM 0 HA PHE A 69 -0.978 2.955 -3.046 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.865 4.314 -5.048 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.088 5.246 -3.911 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.651 2.375 -2.110 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.574 5.836 -3.690 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.424 2.164 -0.425 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.348 5.621 -2.009 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.273 3.785 -0.366 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.826 3.645 -6.155 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.921 4.123 -6.982 1.00 0.13 C ATOM 1147 C GLY A 70 -4.115 3.192 -7.019 1.00 0.13 C ATOM 1148 O GLY A 70 -5.257 3.641 -6.928 1.00 0.13 O ATOM 0 H GLY A 70 -1.024 3.287 -6.674 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.243 5.097 -6.613 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.557 4.272 -7.999 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.857 1.898 -7.156 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.930 0.911 -7.213 1.00 0.15 C ATOM 1154 C ILE A 71 -5.849 1.039 -6.006 1.00 0.13 C ATOM 1155 O ILE A 71 -7.062 0.856 -6.113 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.368 -0.520 -7.271 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.362 -0.648 -8.416 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.498 -1.525 -7.440 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.349 -1.749 -8.207 1.00 0.25 C ATOM 0 H ILE A 71 -2.918 1.507 -7.230 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.499 1.105 -8.122 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.854 -0.732 -6.333 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.902 -0.833 -9.345 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.837 0.300 -8.536 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.085 -2.533 -7.479 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.184 -1.446 -6.597 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.035 -1.316 -8.365 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.668 -1.783 -9.057 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.783 -1.555 -7.296 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.864 -2.705 -8.117 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.263 1.353 -4.857 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.036 1.514 -3.631 1.00 0.11 C ATOM 1173 C VAL A 72 -6.878 2.778 -3.706 1.00 0.12 C ATOM 1174 O VAL A 72 -8.065 2.774 -3.385 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.126 1.598 -2.391 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.952 1.737 -1.118 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.208 0.388 -2.314 1.00 0.12 C ATOM 0 H VAL A 72 -4.260 1.501 -4.748 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.677 0.638 -3.535 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.505 2.489 -2.486 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.286 1.794 -0.257 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.554 2.644 -1.172 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.607 0.872 -1.013 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.574 0.468 -1.431 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.808 -0.520 -2.249 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.583 0.348 -3.206 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.238 3.855 -4.144 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.880 5.157 -4.273 1.00 0.16 C ATOM 1189 C ILE A 73 -8.167 5.092 -5.098 1.00 0.19 C ATOM 1190 O ILE A 73 -9.201 5.605 -4.690 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.902 6.171 -4.905 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.877 6.624 -3.865 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.660 7.358 -5.466 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.724 7.412 -4.444 1.00 0.16 C ATOM 0 H ILE A 73 -5.256 3.850 -4.421 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.152 5.483 -3.269 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.373 5.688 -5.727 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.380 7.234 -3.115 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.483 5.747 -3.351 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.956 8.063 -5.908 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.358 7.016 -6.230 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.211 7.850 -4.664 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -3.040 7.697 -3.644 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.194 6.799 -5.173 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.105 8.309 -4.933 1.00 0.16 H new ATOM 1206 N ASP A 74 -8.087 4.454 -6.250 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.231 4.335 -7.159 1.00 0.21 C ATOM 1208 C ASP A 74 -10.385 3.528 -6.557 1.00 0.19 C ATOM 1209 O ASP A 74 -11.491 4.047 -6.422 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.786 3.692 -8.475 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.782 3.913 -9.596 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -9.704 4.969 -10.257 1.00 0.61 O ATOM 1213 OD2 ASP A 74 -10.641 3.032 -9.810 1.00 0.55 O ATOM 0 H ASP A 74 -7.237 4.003 -6.588 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.601 5.344 -7.338 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.819 4.102 -8.767 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.646 2.622 -8.323 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.141 2.260 -6.208 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.195 1.425 -5.622 1.00 0.25 C ATOM 1220 C TYR A 75 -11.792 2.138 -4.425 1.00 0.27 C ATOM 1221 O TYR A 75 -12.977 2.017 -4.130 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.648 0.047 -5.222 1.00 0.31 C ATOM 1223 CG TYR A 75 -10.869 -1.033 -6.270 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.268 -0.708 -7.559 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.679 -2.377 -5.968 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.474 -1.682 -8.515 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -10.881 -3.360 -6.919 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.278 -3.008 -8.191 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.481 -3.983 -9.141 1.00 1.24 O ATOM 0 H TYR A 75 -9.239 1.796 -6.318 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.974 1.262 -6.367 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.580 0.135 -5.025 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.120 -0.263 -4.290 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.421 0.329 -7.819 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.368 -2.658 -4.973 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.787 -1.407 -9.511 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -10.728 -4.399 -6.666 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.299 -4.863 -8.751 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.949 2.893 -3.753 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.356 3.690 -2.615 1.00 0.30 C ATOM 1241 C LYS A 76 -12.337 4.749 -3.086 1.00 0.37 C ATOM 1242 O LYS A 76 -13.392 4.969 -2.488 1.00 0.51 O ATOM 1243 CB LYS A 76 -10.111 4.348 -2.055 1.00 0.29 C ATOM 1244 CG LYS A 76 -10.329 5.316 -0.920 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.360 6.481 -1.044 1.00 0.43 C ATOM 1246 CE LYS A 76 -7.901 6.070 -0.856 1.00 0.75 C ATOM 1247 NZ LYS A 76 -7.604 4.718 -1.411 1.00 1.66 N ATOM 0 H LYS A 76 -9.958 2.972 -3.982 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.836 3.079 -1.851 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.433 3.566 -1.714 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.607 4.876 -2.865 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.356 5.682 -0.934 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -10.184 4.810 0.035 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -9.478 6.941 -2.025 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.616 7.239 -0.304 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.256 6.805 -1.338 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.659 6.082 0.207 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -6.609 4.676 -1.710 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -7.776 3.998 -0.681 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -8.219 4.536 -2.229 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.953 5.395 -4.175 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.740 6.429 -4.806 1.00 0.36 C ATOM 1263 C GLU A 77 -13.982 5.842 -5.472 1.00 0.34 C ATOM 1264 O GLU A 77 -14.920 6.566 -5.809 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.854 7.138 -5.824 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.811 8.026 -5.171 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.288 9.103 -6.099 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.961 10.147 -6.237 1.00 1.09 O ATOM 1269 OE2 GLU A 77 -9.206 8.904 -6.691 1.00 1.16 O ATOM 0 H GLU A 77 -11.070 5.208 -4.649 1.00 0.31 H new ATOM 0 HA GLU A 77 -13.090 7.141 -4.058 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -11.355 6.395 -6.446 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.477 7.741 -6.485 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -11.242 8.494 -4.286 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.978 7.410 -4.832 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.979 4.524 -5.654 1.00 0.31 N ATOM 1277 CA ARG A 78 -15.106 3.828 -6.263 1.00 0.33 C ATOM 1278 C ARG A 78 -15.978 3.187 -5.194 1.00 0.36 C ATOM 1279 O ARG A 78 -16.697 2.226 -5.465 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.612 2.737 -7.208 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.097 3.247 -8.540 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.714 2.091 -9.449 1.00 0.42 C ATOM 1283 NE ARG A 78 -13.186 2.551 -10.727 1.00 1.15 N ATOM 1284 CZ ARG A 78 -13.024 1.765 -11.788 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.357 0.482 -11.725 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -12.530 2.261 -12.915 1.00 2.37 N ATOM 0 H ARG A 78 -13.205 3.916 -5.387 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.689 4.561 -6.820 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.816 2.179 -6.714 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.426 2.036 -7.392 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.862 3.856 -9.022 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.232 3.890 -8.378 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -12.969 1.471 -8.951 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -14.587 1.462 -9.623 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.925 3.533 -10.813 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.738 0.096 -10.861 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.232 -0.118 -12.540 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -12.274 3.247 -12.969 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -12.407 1.657 -13.727 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.904 3.725 -3.981 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.660 3.203 -2.855 1.00 0.43 C ATOM 1302 C ASP A 79 -16.545 1.681 -2.791 1.00 0.40 C ATOM 1303 O ASP A 79 -17.439 0.994 -2.295 1.00 0.47 O ATOM 1304 CB ASP A 79 -18.121 3.646 -2.943 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.918 2.886 -3.987 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -19.438 1.798 -3.658 1.00 2.00 O ATOM 1307 OD2 ASP A 79 -19.017 3.371 -5.133 1.00 2.13 O ATOM 0 H ASP A 79 -15.321 4.531 -3.754 1.00 0.38 H new ATOM 0 HA ASP A 79 -16.241 3.608 -1.934 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.593 3.514 -1.969 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -18.157 4.711 -3.173 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.420 1.168 -3.287 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.165 -0.265 -3.304 1.00 0.32 C ATOM 1314 C LEU A 80 -14.500 -0.710 -2.002 1.00 0.31 C ATOM 1315 O LEU A 80 -14.552 -1.885 -1.635 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.296 -0.642 -4.511 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.022 -1.427 -5.600 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.532 -0.489 -6.677 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.098 -2.460 -6.205 1.00 0.39 C ATOM 0 H LEU A 80 -14.668 1.731 -3.684 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.120 -0.782 -3.393 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.891 0.270 -4.949 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.448 -1.231 -4.161 1.00 0.29 H new ATOM 0 HG LEU A 80 -15.873 -1.937 -5.150 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.047 -1.064 -7.446 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.224 0.229 -6.236 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.692 0.043 -7.124 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -14.628 -3.013 -6.980 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.232 -1.962 -6.642 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -13.767 -3.150 -5.429 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.873 0.239 -1.308 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.213 -0.045 -0.036 1.00 0.14 C ATOM 1333 C ILE A 81 -14.116 0.331 1.125 1.00 0.13 C ATOM 1334 O ILE A 81 -14.751 1.387 1.114 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.881 0.721 0.106 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.927 0.330 -1.026 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.244 0.440 1.468 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.575 1.008 -0.949 1.00 0.17 C ATOM 0 H ILE A 81 -13.809 1.212 -1.606 1.00 0.18 H new ATOM 0 HA ILE A 81 -13.004 -1.115 -0.020 1.00 0.14 H new ATOM 0 HB ILE A 81 -12.082 1.790 0.038 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.783 -0.750 -1.010 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.392 0.575 -1.981 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.306 0.988 1.551 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.922 0.759 2.260 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.050 -0.628 1.566 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.956 0.681 -1.784 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.707 2.089 -0.997 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.088 0.743 -0.011 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.174 -0.536 2.126 1.00 0.13 N ATOM 1351 CA ASP A 82 -14.998 -0.286 3.294 1.00 0.13 C ATOM 1352 C ASP A 82 -14.538 0.982 3.992 1.00 0.13 C ATOM 1353 O ASP A 82 -13.350 1.150 4.273 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.920 -1.462 4.262 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.142 -1.559 5.156 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.317 -0.672 6.016 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -16.918 -2.523 5.000 1.00 0.47 O ATOM 0 H ASP A 82 -13.660 -1.417 2.150 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.031 -0.164 2.970 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.813 -2.388 3.697 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.028 -1.361 4.880 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.480 1.871 4.271 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.161 3.123 4.933 1.00 0.16 C ATOM 1364 C ARG A 83 -14.554 2.863 6.306 1.00 0.18 C ATOM 1365 O ARG A 83 -14.008 3.767 6.937 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.401 4.007 5.046 1.00 0.19 C ATOM 1367 CG ARG A 83 -17.173 4.126 3.742 1.00 0.33 C ATOM 1368 CD ARG A 83 -16.293 4.593 2.587 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.624 5.863 2.864 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.258 7.029 2.955 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.575 7.087 2.807 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -15.574 8.140 3.189 1.00 1.48 N ATOM 0 H ARG A 83 -16.468 1.747 4.049 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.424 3.652 4.329 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.059 3.602 5.815 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.101 5.002 5.375 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.612 3.160 3.493 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.998 4.827 3.874 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.543 3.831 2.376 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -16.903 4.697 1.690 1.00 0.63 H new ATOM 0 HE ARG A 83 -14.612 5.855 2.995 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -18.105 6.236 2.623 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.057 7.983 2.878 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -14.561 8.101 3.299 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -16.061 9.034 3.259 1.00 1.48 H new ATOM 1386 N SER A 84 -14.661 1.617 6.765 1.00 0.17 N ATOM 1387 CA SER A 84 -14.114 1.232 8.059 1.00 0.20 C ATOM 1388 C SER A 84 -12.590 1.274 8.027 1.00 0.19 C ATOM 1389 O SER A 84 -11.952 1.656 9.007 1.00 0.23 O ATOM 1390 CB SER A 84 -14.593 -0.168 8.450 1.00 0.22 C ATOM 1391 OG SER A 84 -14.119 -0.529 9.735 1.00 1.09 O ATOM 0 H SER A 84 -15.121 0.860 6.259 1.00 0.17 H new ATOM 0 HA SER A 84 -14.469 1.943 8.805 1.00 0.20 H new ATOM 0 HB2 SER A 84 -15.682 -0.199 8.439 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.246 -0.893 7.714 1.00 0.22 H new ATOM 0 HG SER A 84 -14.610 -1.314 10.056 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.012 0.873 6.893 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.560 0.884 6.737 1.00 0.16 C ATOM 1399 C ALA A 85 -10.025 2.281 6.988 1.00 0.19 C ATOM 1400 O ALA A 85 -9.011 2.462 7.664 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.161 0.417 5.344 1.00 0.14 C ATOM 0 H ALA A 85 -12.524 0.539 6.076 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.130 0.196 7.465 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.075 0.434 5.252 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.523 -0.598 5.183 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.599 1.081 4.598 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.726 3.260 6.428 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.356 4.670 6.571 1.00 0.25 C ATOM 1409 C TYR A 86 -9.899 4.981 7.994 1.00 0.31 C ATOM 1410 O TYR A 86 -10.772 5.180 8.865 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.537 5.575 6.206 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.862 5.612 4.730 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.112 4.445 4.027 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -11.932 6.818 4.045 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.422 4.472 2.683 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.238 6.856 2.698 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.484 5.680 2.022 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.796 5.713 0.683 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.671 5.028 8.225 1.00 1.02 O ATOM 0 H TYR A 86 -11.562 3.104 5.865 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.528 4.862 5.889 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.419 5.239 6.752 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.320 6.589 6.544 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.063 3.496 4.541 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.744 7.741 4.574 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.615 3.552 2.152 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.284 7.801 2.178 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.799 6.642 0.371 1.00 0.40 H new