USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 585 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: B 201 MET CE :methyl -157:sc= -0.404 (180deg=-1.73) USER MOD Set 1.2: B 205 GLN : amide:sc= 0 K(o=-0.4,f=-1.2) USER MOD Set 2.1: A 201 MET CE :methyl -156:sc= -0.379 (180deg=-1.77) USER MOD Set 2.2: A 205 GLN : amide:sc= 0 K(o=-0.38,f=-1.1) USER MOD Single : A 176 THR OG1 : rot 31:sc= 0.16 USER MOD Single : A 187 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.1) USER MOD Single : A 188 ASN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 189 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.0017) USER MOD Single : A 192 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.8!) USER MOD Single : A 194 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.7) USER MOD Single : A 199 GLN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 206 LYS NZ :NH3+ 166:sc= -0.0446 (180deg=-0.277) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : B 176 THR OG1 : rot 30:sc= 0.151 USER MOD Single : B 187 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.14) USER MOD Single : B 188 ASN : amide:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : B 189 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.0027) USER MOD Single : B 192 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.7!) USER MOD Single : B 194 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.6) USER MOD Single : B 199 GLN : amide:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : B 206 LYS NZ :NH3+ 165:sc= -0.0309 (180deg=-0.266) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD Single : B 212 LYS NZ :NH3+ 173:sc=-0.00109 (180deg=-0.092) USER MOD ----------------------------------------------------------------- ATOM 52 N THR A 176 10.076 0.677 -5.765 1.00 0.23 N ATOM 53 CA THR A 176 8.974 0.124 -6.527 1.00 0.24 C ATOM 54 C THR A 176 8.016 -0.632 -5.613 1.00 0.20 C ATOM 55 O THR A 176 8.434 -1.430 -4.775 1.00 0.21 O ATOM 56 CB THR A 176 9.479 -0.820 -7.633 1.00 0.31 C ATOM 57 OG1 THR A 176 10.494 -0.163 -8.408 1.00 0.34 O ATOM 58 CG2 THR A 176 8.335 -1.249 -8.541 1.00 0.37 C ATOM 0 HA THR A 176 8.447 0.957 -6.993 1.00 0.24 H new ATOM 0 HB THR A 176 9.899 -1.709 -7.162 1.00 0.31 H new ATOM 0 HG1 THR A 176 10.986 0.465 -7.838 1.00 0.34 H new ATOM 0 HG21 THR A 176 8.715 -1.916 -9.315 1.00 0.37 H new ATOM 0 HG22 THR A 176 7.579 -1.770 -7.953 1.00 0.37 H new ATOM 0 HG23 THR A 176 7.890 -0.369 -9.006 1.00 0.37 H new ATOM 66 N VAL A 177 6.733 -0.366 -5.778 1.00 0.17 N ATOM 67 CA VAL A 177 5.705 -1.001 -4.980 1.00 0.14 C ATOM 68 C VAL A 177 4.902 -1.977 -5.833 1.00 0.13 C ATOM 69 O VAL A 177 4.474 -1.636 -6.937 1.00 0.14 O ATOM 70 CB VAL A 177 4.760 0.055 -4.376 1.00 0.14 C ATOM 71 CG1 VAL A 177 3.618 -0.599 -3.628 1.00 0.14 C ATOM 72 CG2 VAL A 177 5.527 0.988 -3.457 1.00 0.19 C ATOM 0 H VAL A 177 6.377 0.295 -6.468 1.00 0.17 H new ATOM 0 HA VAL A 177 6.190 -1.546 -4.170 1.00 0.14 H new ATOM 0 HB VAL A 177 4.338 0.637 -5.195 1.00 0.14 H new ATOM 0 HG11 VAL A 177 2.967 0.170 -3.212 1.00 0.14 H new ATOM 0 HG12 VAL A 177 3.047 -1.227 -4.312 1.00 0.14 H new ATOM 0 HG13 VAL A 177 4.016 -1.212 -2.820 1.00 0.14 H new ATOM 0 HG21 VAL A 177 4.845 1.728 -3.038 1.00 0.19 H new ATOM 0 HG22 VAL A 177 5.979 0.413 -2.649 1.00 0.19 H new ATOM 0 HG23 VAL A 177 6.309 1.494 -4.023 1.00 0.19 H new ATOM 82 N PRO A 178 4.705 -3.216 -5.355 1.00 0.13 N ATOM 83 CA PRO A 178 3.887 -4.192 -6.063 1.00 0.13 C ATOM 84 C PRO A 178 2.399 -3.893 -5.899 1.00 0.12 C ATOM 85 O PRO A 178 1.735 -4.409 -5.004 1.00 0.11 O ATOM 86 CB PRO A 178 4.251 -5.510 -5.377 1.00 0.13 C ATOM 87 CG PRO A 178 4.654 -5.121 -3.996 1.00 0.13 C ATOM 88 CD PRO A 178 5.278 -3.756 -4.111 1.00 0.13 C ATOM 0 HA PRO A 178 4.068 -4.196 -7.138 1.00 0.13 H new ATOM 0 HB2 PRO A 178 3.404 -6.196 -5.364 1.00 0.13 H new ATOM 0 HB3 PRO A 178 5.063 -6.016 -5.898 1.00 0.13 H new ATOM 0 HG2 PRO A 178 3.792 -5.100 -3.330 1.00 0.13 H new ATOM 0 HG3 PRO A 178 5.361 -5.839 -3.580 1.00 0.13 H new ATOM 0 HD2 PRO A 178 5.034 -3.130 -3.253 1.00 0.13 H new ATOM 0 HD3 PRO A 178 6.365 -3.815 -4.163 1.00 0.13 H new ATOM 96 N TRP A 179 1.883 -3.086 -6.807 1.00 0.14 N ATOM 97 CA TRP A 179 0.489 -2.669 -6.764 1.00 0.14 C ATOM 98 C TRP A 179 -0.446 -3.814 -7.122 1.00 0.13 C ATOM 99 O TRP A 179 -1.595 -3.839 -6.693 1.00 0.15 O ATOM 100 CB TRP A 179 0.260 -1.476 -7.683 1.00 0.17 C ATOM 101 CG TRP A 179 1.059 -0.278 -7.278 1.00 0.15 C ATOM 102 CD1 TRP A 179 2.120 0.266 -7.938 1.00 0.16 C ATOM 103 CD2 TRP A 179 0.873 0.509 -6.099 1.00 0.14 C ATOM 104 NE1 TRP A 179 2.602 1.349 -7.243 1.00 0.15 N ATOM 105 CE2 TRP A 179 1.849 1.521 -6.113 1.00 0.15 C ATOM 106 CE3 TRP A 179 -0.031 0.460 -5.036 1.00 0.16 C ATOM 107 CZ2 TRP A 179 1.949 2.474 -5.104 1.00 0.16 C ATOM 108 CZ3 TRP A 179 0.067 1.402 -4.035 1.00 0.18 C ATOM 109 CH2 TRP A 179 1.050 2.400 -4.075 1.00 0.18 C ATOM 0 H TRP A 179 2.411 -2.702 -7.591 1.00 0.14 H new ATOM 0 HA TRP A 179 0.262 -2.367 -5.741 1.00 0.14 H new ATOM 0 HB2 TRP A 179 0.520 -1.753 -8.705 1.00 0.17 H new ATOM 0 HB3 TRP A 179 -0.799 -1.219 -7.682 1.00 0.17 H new ATOM 0 HD1 TRP A 179 2.523 -0.100 -8.871 1.00 0.16 H new ATOM 0 HE1 TRP A 179 3.392 1.930 -7.523 1.00 0.15 H new ATOM 0 HE3 TRP A 179 -0.794 -0.303 -4.999 1.00 0.16 H new ATOM 0 HZ2 TRP A 179 2.707 3.243 -5.132 1.00 0.16 H new ATOM 0 HZ3 TRP A 179 -0.625 1.371 -3.206 1.00 0.18 H new ATOM 0 HH2 TRP A 179 1.099 3.126 -3.277 1.00 0.18 H new ATOM 120 N ASP A 180 0.054 -4.763 -7.894 1.00 0.13 N ATOM 121 CA ASP A 180 -0.724 -5.947 -8.242 1.00 0.14 C ATOM 122 C ASP A 180 -0.938 -6.817 -7.010 1.00 0.12 C ATOM 123 O ASP A 180 -2.064 -7.207 -6.691 1.00 0.12 O ATOM 124 CB ASP A 180 -0.015 -6.752 -9.334 1.00 0.19 C ATOM 125 CG ASP A 180 -0.732 -8.043 -9.674 1.00 1.21 C ATOM 126 OD1 ASP A 180 -0.461 -9.073 -9.023 1.00 1.81 O ATOM 127 OD2 ASP A 180 -1.562 -8.039 -10.605 1.00 2.10 O ATOM 0 H ASP A 180 0.993 -4.740 -8.293 1.00 0.13 H new ATOM 0 HA ASP A 180 -1.694 -5.624 -8.620 1.00 0.14 H new ATOM 0 HB2 ASP A 180 0.068 -6.141 -10.233 1.00 0.19 H new ATOM 0 HB3 ASP A 180 1.000 -6.981 -9.009 1.00 0.19 H new ATOM 132 N ASP A 181 0.153 -7.088 -6.305 1.00 0.11 N ATOM 133 CA ASP A 181 0.111 -7.929 -5.118 1.00 0.12 C ATOM 134 C ASP A 181 -0.667 -7.244 -4.011 1.00 0.11 C ATOM 135 O ASP A 181 -1.420 -7.883 -3.276 1.00 0.13 O ATOM 136 CB ASP A 181 1.525 -8.252 -4.633 1.00 0.16 C ATOM 137 CG ASP A 181 2.306 -9.099 -5.613 1.00 0.23 C ATOM 138 OD1 ASP A 181 2.874 -8.533 -6.575 1.00 1.02 O ATOM 139 OD2 ASP A 181 2.360 -10.333 -5.425 1.00 0.82 O ATOM 0 H ASP A 181 1.081 -6.735 -6.537 1.00 0.11 H new ATOM 0 HA ASP A 181 -0.390 -8.860 -5.381 1.00 0.12 H new ATOM 0 HB2 ASP A 181 2.064 -7.321 -4.455 1.00 0.16 H new ATOM 0 HB3 ASP A 181 1.465 -8.773 -3.678 1.00 0.16 H new ATOM 144 N ILE A 182 -0.494 -5.934 -3.904 1.00 0.11 N ATOM 145 CA ILE A 182 -1.212 -5.162 -2.910 1.00 0.14 C ATOM 146 C ILE A 182 -2.698 -5.150 -3.222 1.00 0.13 C ATOM 147 O ILE A 182 -3.519 -5.293 -2.322 1.00 0.13 O ATOM 148 CB ILE A 182 -0.679 -3.718 -2.800 1.00 0.17 C ATOM 149 CG1 ILE A 182 0.742 -3.727 -2.243 1.00 0.17 C ATOM 150 CG2 ILE A 182 -1.582 -2.871 -1.916 1.00 0.26 C ATOM 151 CD1 ILE A 182 1.337 -2.352 -2.087 1.00 0.20 C ATOM 0 H ILE A 182 0.136 -5.389 -4.493 1.00 0.11 H new ATOM 0 HA ILE A 182 -1.050 -5.645 -1.946 1.00 0.14 H new ATOM 0 HB ILE A 182 -0.670 -3.279 -3.798 1.00 0.17 H new ATOM 0 HG12 ILE A 182 0.740 -4.225 -1.273 1.00 0.17 H new ATOM 0 HG13 ILE A 182 1.378 -4.316 -2.903 1.00 0.17 H new ATOM 0 HG21 ILE A 182 -1.185 -1.858 -1.855 1.00 0.26 H new ATOM 0 HG22 ILE A 182 -2.585 -2.842 -2.342 1.00 0.26 H new ATOM 0 HG23 ILE A 182 -1.624 -3.305 -0.917 1.00 0.26 H new ATOM 0 HD11 ILE A 182 2.347 -2.436 -1.687 1.00 0.20 H new ATOM 0 HD12 ILE A 182 1.371 -1.858 -3.058 1.00 0.20 H new ATOM 0 HD13 ILE A 182 0.723 -1.765 -1.403 1.00 0.20 H new ATOM 163 N GLU A 183 -3.053 -5.011 -4.498 1.00 0.14 N ATOM 164 CA GLU A 183 -4.453 -5.048 -4.889 1.00 0.15 C ATOM 165 C GLU A 183 -5.062 -6.392 -4.533 1.00 0.14 C ATOM 166 O GLU A 183 -6.220 -6.467 -4.142 1.00 0.14 O ATOM 167 CB GLU A 183 -4.631 -4.802 -6.387 1.00 0.18 C ATOM 168 CG GLU A 183 -6.087 -4.613 -6.786 1.00 0.27 C ATOM 169 CD GLU A 183 -6.334 -4.840 -8.261 1.00 0.34 C ATOM 170 OE1 GLU A 183 -6.003 -3.951 -9.072 1.00 1.06 O ATOM 171 OE2 GLU A 183 -6.868 -5.915 -8.612 1.00 1.09 O ATOM 0 H GLU A 183 -2.397 -4.874 -5.267 1.00 0.14 H new ATOM 0 HA GLU A 183 -4.961 -4.251 -4.346 1.00 0.15 H new ATOM 0 HB2 GLU A 183 -4.063 -3.918 -6.675 1.00 0.18 H new ATOM 0 HB3 GLU A 183 -4.214 -5.643 -6.941 1.00 0.18 H new ATOM 0 HG2 GLU A 183 -6.707 -5.300 -6.210 1.00 0.27 H new ATOM 0 HG3 GLU A 183 -6.401 -3.603 -6.523 1.00 0.27 H new ATOM 178 N ALA A 184 -4.276 -7.456 -4.667 1.00 0.13 N ATOM 179 CA ALA A 184 -4.744 -8.792 -4.327 1.00 0.13 C ATOM 180 C ALA A 184 -4.934 -8.929 -2.825 1.00 0.13 C ATOM 181 O ALA A 184 -5.868 -9.584 -2.361 1.00 0.13 O ATOM 182 CB ALA A 184 -3.765 -9.838 -4.834 1.00 0.15 C ATOM 0 H ALA A 184 -3.315 -7.418 -5.008 1.00 0.13 H new ATOM 0 HA ALA A 184 -5.708 -8.952 -4.810 1.00 0.13 H new ATOM 0 HB1 ALA A 184 -4.127 -10.832 -4.573 1.00 0.15 H new ATOM 0 HB2 ALA A 184 -3.675 -9.757 -5.917 1.00 0.15 H new ATOM 0 HB3 ALA A 184 -2.789 -9.676 -4.376 1.00 0.15 H new ATOM 188 N LEU A 185 -4.060 -8.277 -2.071 1.00 0.12 N ATOM 189 CA LEU A 185 -4.127 -8.315 -0.621 1.00 0.13 C ATOM 190 C LEU A 185 -5.357 -7.573 -0.133 1.00 0.11 C ATOM 191 O LEU A 185 -6.079 -8.052 0.733 1.00 0.12 O ATOM 192 CB LEU A 185 -2.875 -7.692 -0.013 1.00 0.14 C ATOM 193 CG LEU A 185 -2.913 -7.518 1.504 1.00 0.15 C ATOM 194 CD1 LEU A 185 -3.031 -8.864 2.200 1.00 0.16 C ATOM 195 CD2 LEU A 185 -1.679 -6.777 1.975 1.00 0.18 C ATOM 0 H LEU A 185 -3.295 -7.714 -2.443 1.00 0.12 H new ATOM 0 HA LEU A 185 -4.191 -9.357 -0.307 1.00 0.13 H new ATOM 0 HB2 LEU A 185 -2.017 -8.312 -0.271 1.00 0.14 H new ATOM 0 HB3 LEU A 185 -2.713 -6.717 -0.472 1.00 0.14 H new ATOM 0 HG LEU A 185 -3.793 -6.929 1.763 1.00 0.15 H new ATOM 0 HD11 LEU A 185 -3.056 -8.714 3.279 1.00 0.16 H new ATOM 0 HD12 LEU A 185 -3.948 -9.360 1.881 1.00 0.16 H new ATOM 0 HD13 LEU A 185 -2.174 -9.485 1.940 1.00 0.16 H new ATOM 0 HD21 LEU A 185 -1.717 -6.659 3.058 1.00 0.18 H new ATOM 0 HD22 LEU A 185 -0.788 -7.343 1.703 1.00 0.18 H new ATOM 0 HD23 LEU A 185 -1.642 -5.795 1.504 1.00 0.18 H new ATOM 207 N LEU A 186 -5.591 -6.404 -0.703 1.00 0.11 N ATOM 208 CA LEU A 186 -6.743 -5.593 -0.347 1.00 0.10 C ATOM 209 C LEU A 186 -8.017 -6.205 -0.896 1.00 0.09 C ATOM 210 O LEU A 186 -9.095 -6.017 -0.346 1.00 0.08 O ATOM 211 CB LEU A 186 -6.578 -4.163 -0.862 1.00 0.10 C ATOM 212 CG LEU A 186 -5.788 -3.219 0.051 1.00 0.11 C ATOM 213 CD1 LEU A 186 -6.455 -3.128 1.410 1.00 0.09 C ATOM 214 CD2 LEU A 186 -4.346 -3.674 0.200 1.00 0.14 C ATOM 0 H LEU A 186 -4.994 -5.992 -1.420 1.00 0.11 H new ATOM 0 HA LEU A 186 -6.813 -5.563 0.740 1.00 0.10 H new ATOM 0 HB2 LEU A 186 -6.083 -4.200 -1.832 1.00 0.10 H new ATOM 0 HB3 LEU A 186 -7.568 -3.738 -1.025 1.00 0.10 H new ATOM 0 HG LEU A 186 -5.781 -2.231 -0.409 1.00 0.11 H new ATOM 0 HD11 LEU A 186 -5.885 -2.455 2.051 1.00 0.09 H new ATOM 0 HD12 LEU A 186 -7.469 -2.746 1.293 1.00 0.09 H new ATOM 0 HD13 LEU A 186 -6.491 -4.118 1.865 1.00 0.09 H new ATOM 0 HD21 LEU A 186 -3.812 -2.984 0.853 1.00 0.14 H new ATOM 0 HD22 LEU A 186 -4.323 -4.674 0.633 1.00 0.14 H new ATOM 0 HD23 LEU A 186 -3.867 -3.691 -0.779 1.00 0.14 H new ATOM 226 N LYS A 187 -7.880 -6.945 -1.980 1.00 0.11 N ATOM 227 CA LYS A 187 -9.001 -7.649 -2.575 1.00 0.12 C ATOM 228 C LYS A 187 -9.482 -8.724 -1.616 1.00 0.13 C ATOM 229 O LYS A 187 -10.680 -8.891 -1.391 1.00 0.14 O ATOM 230 CB LYS A 187 -8.579 -8.276 -3.903 1.00 0.15 C ATOM 231 CG LYS A 187 -9.737 -8.652 -4.807 1.00 0.22 C ATOM 232 CD LYS A 187 -9.257 -9.355 -6.071 1.00 0.29 C ATOM 233 CE LYS A 187 -8.267 -8.509 -6.865 1.00 0.78 C ATOM 234 NZ LYS A 187 -8.876 -7.256 -7.385 1.00 1.61 N ATOM 0 H LYS A 187 -6.995 -7.075 -2.470 1.00 0.11 H new ATOM 0 HA LYS A 187 -9.813 -6.947 -2.766 1.00 0.12 H new ATOM 0 HB2 LYS A 187 -7.931 -7.577 -4.432 1.00 0.15 H new ATOM 0 HB3 LYS A 187 -7.987 -9.168 -3.699 1.00 0.15 H new ATOM 0 HG2 LYS A 187 -10.424 -9.303 -4.267 1.00 0.22 H new ATOM 0 HG3 LYS A 187 -10.294 -7.755 -5.078 1.00 0.22 H new ATOM 0 HD2 LYS A 187 -8.788 -10.301 -5.802 1.00 0.29 H new ATOM 0 HD3 LYS A 187 -10.115 -9.592 -6.700 1.00 0.29 H new ATOM 0 HE2 LYS A 187 -7.417 -8.259 -6.230 1.00 0.78 H new ATOM 0 HE3 LYS A 187 -7.881 -9.095 -7.699 1.00 0.78 H new ATOM 0 HZ1 LYS A 187 -8.221 -6.803 -8.053 1.00 1.61 H new ATOM 0 HZ2 LYS A 187 -9.767 -7.479 -7.872 1.00 1.61 H new ATOM 0 HZ3 LYS A 187 -9.067 -6.608 -6.594 1.00 1.61 H new ATOM 248 N ASN A 188 -8.523 -9.449 -1.060 1.00 0.16 N ATOM 249 CA ASN A 188 -8.787 -10.453 -0.041 1.00 0.20 C ATOM 250 C ASN A 188 -9.257 -9.806 1.258 1.00 0.19 C ATOM 251 O ASN A 188 -10.168 -10.301 1.920 1.00 0.24 O ATOM 252 CB ASN A 188 -7.513 -11.268 0.201 1.00 0.25 C ATOM 253 CG ASN A 188 -7.581 -12.131 1.444 1.00 0.75 C ATOM 254 OD1 ASN A 188 -8.079 -13.255 1.409 1.00 0.75 O ATOM 255 ND2 ASN A 188 -7.061 -11.615 2.548 1.00 1.37 N ATOM 0 H ASN A 188 -7.537 -9.357 -1.304 1.00 0.16 H new ATOM 0 HA ASN A 188 -9.583 -11.110 -0.390 1.00 0.20 H new ATOM 0 HB2 ASN A 188 -7.327 -11.904 -0.665 1.00 0.25 H new ATOM 0 HB3 ASN A 188 -6.665 -10.588 0.285 1.00 0.25 H new ATOM 0 HD21 ASN A 188 -7.064 -12.155 3.414 1.00 1.37 H new ATOM 0 HD22 ASN A 188 -6.658 -10.678 2.532 1.00 1.37 H new ATOM 262 N ASN A 189 -8.631 -8.690 1.603 1.00 0.14 N ATOM 263 CA ASN A 189 -8.935 -7.966 2.832 1.00 0.14 C ATOM 264 C ASN A 189 -10.359 -7.429 2.795 1.00 0.13 C ATOM 265 O ASN A 189 -11.055 -7.391 3.810 1.00 0.17 O ATOM 266 CB ASN A 189 -7.947 -6.810 3.001 1.00 0.13 C ATOM 267 CG ASN A 189 -7.960 -6.213 4.394 1.00 0.18 C ATOM 268 OD1 ASN A 189 -8.715 -5.285 4.684 1.00 0.21 O ATOM 269 ND2 ASN A 189 -7.109 -6.732 5.261 1.00 0.23 N ATOM 0 H ASN A 189 -7.898 -8.260 1.040 1.00 0.14 H new ATOM 0 HA ASN A 189 -8.844 -8.649 3.677 1.00 0.14 H new ATOM 0 HB2 ASN A 189 -6.941 -7.164 2.774 1.00 0.13 H new ATOM 0 HB3 ASN A 189 -8.182 -6.031 2.276 1.00 0.13 H new ATOM 0 HD21 ASN A 189 -7.061 -6.364 6.211 1.00 0.23 H new ATOM 0 HD22 ASN A 189 -6.500 -7.501 4.980 1.00 0.23 H new ATOM 276 N PHE A 190 -10.789 -7.047 1.605 1.00 0.11 N ATOM 277 CA PHE A 190 -12.107 -6.482 1.389 1.00 0.10 C ATOM 278 C PHE A 190 -12.974 -7.443 0.590 1.00 0.11 C ATOM 279 O PHE A 190 -13.674 -7.010 -0.319 1.00 0.12 O ATOM 280 CB PHE A 190 -12.021 -5.132 0.681 1.00 0.09 C ATOM 281 CG PHE A 190 -11.574 -4.007 1.570 1.00 0.10 C ATOM 282 CD1 PHE A 190 -12.449 -3.452 2.489 1.00 1.17 C ATOM 283 CD2 PHE A 190 -10.287 -3.500 1.484 1.00 1.18 C ATOM 284 CE1 PHE A 190 -12.051 -2.415 3.307 1.00 1.18 C ATOM 285 CE2 PHE A 190 -9.884 -2.460 2.303 1.00 1.18 C ATOM 286 CZ PHE A 190 -10.768 -1.917 3.214 1.00 0.14 C ATOM 0 H PHE A 190 -10.228 -7.121 0.756 1.00 0.11 H new ATOM 0 HA PHE A 190 -12.566 -6.323 2.365 1.00 0.10 H new ATOM 0 HB2 PHE A 190 -11.330 -5.216 -0.158 1.00 0.09 H new ATOM 0 HB3 PHE A 190 -12.999 -4.888 0.266 1.00 0.09 H new ATOM 0 HD1 PHE A 190 -13.456 -3.836 2.566 1.00 1.17 H new ATOM 0 HD2 PHE A 190 -9.593 -3.920 0.772 1.00 1.18 H new ATOM 0 HE1 PHE A 190 -12.744 -1.993 4.020 1.00 1.18 H new ATOM 0 HE2 PHE A 190 -8.878 -2.073 2.230 1.00 1.18 H new ATOM 0 HZ PHE A 190 -10.456 -1.104 3.853 1.00 0.14 H new ATOM 296 N GLU A 191 -12.725 -8.742 0.813 1.00 0.14 N ATOM 297 CA GLU A 191 -13.577 -9.900 0.402 1.00 0.21 C ATOM 298 C GLU A 191 -15.113 -9.672 0.388 1.00 0.21 C ATOM 299 O GLU A 191 -15.883 -10.553 0.782 1.00 0.22 O ATOM 300 CB GLU A 191 -13.269 -11.076 1.327 1.00 0.30 C ATOM 301 CG GLU A 191 -13.483 -10.750 2.798 1.00 0.38 C ATOM 302 CD GLU A 191 -13.193 -11.920 3.709 1.00 0.84 C ATOM 303 OE1 GLU A 191 -13.953 -12.911 3.674 1.00 1.74 O ATOM 304 OE2 GLU A 191 -12.210 -11.852 4.475 1.00 1.40 O ATOM 0 H GLU A 191 -11.886 -9.043 1.308 1.00 0.14 H new ATOM 0 HA GLU A 191 -13.316 -10.081 -0.641 1.00 0.21 H new ATOM 0 HB2 GLU A 191 -13.900 -11.921 1.053 1.00 0.30 H new ATOM 0 HB3 GLU A 191 -12.235 -11.388 1.177 1.00 0.30 H new ATOM 0 HG2 GLU A 191 -12.843 -9.913 3.076 1.00 0.38 H new ATOM 0 HG3 GLU A 191 -14.513 -10.427 2.947 1.00 0.38 H new ATOM 311 N ASN A 192 -15.538 -8.521 -0.079 1.00 0.31 N ATOM 312 CA ASN A 192 -16.938 -8.133 -0.117 1.00 0.44 C ATOM 313 C ASN A 192 -17.058 -6.780 -0.801 1.00 0.57 C ATOM 314 O ASN A 192 -17.872 -6.587 -1.706 1.00 1.09 O ATOM 315 CB ASN A 192 -17.502 -8.053 1.306 1.00 0.47 C ATOM 316 CG ASN A 192 -19.011 -7.886 1.356 1.00 0.61 C ATOM 317 OD1 ASN A 192 -19.624 -7.281 0.476 1.00 0.69 O ATOM 318 ND2 ASN A 192 -19.623 -8.426 2.395 1.00 1.16 N ATOM 0 H ASN A 192 -14.910 -7.809 -0.452 1.00 0.31 H new ATOM 0 HA ASN A 192 -17.508 -8.877 -0.674 1.00 0.44 H new ATOM 0 HB2 ASN A 192 -17.227 -8.958 1.848 1.00 0.47 H new ATOM 0 HB3 ASN A 192 -17.035 -7.216 1.826 1.00 0.47 H new ATOM 0 HD21 ASN A 192 -20.636 -8.349 2.487 1.00 1.16 H new ATOM 0 HD22 ASN A 192 -19.083 -8.920 3.105 1.00 1.16 H new ATOM 325 N ASP A 193 -16.199 -5.861 -0.391 1.00 0.20 N ATOM 326 CA ASP A 193 -16.239 -4.496 -0.881 1.00 0.24 C ATOM 327 C ASP A 193 -15.122 -4.253 -1.889 1.00 0.19 C ATOM 328 O ASP A 193 -14.070 -3.708 -1.552 1.00 0.16 O ATOM 329 CB ASP A 193 -16.106 -3.508 0.279 1.00 0.33 C ATOM 330 CG ASP A 193 -17.227 -3.628 1.291 1.00 0.84 C ATOM 331 OD1 ASP A 193 -18.303 -3.035 1.072 1.00 1.27 O ATOM 332 OD2 ASP A 193 -17.033 -4.309 2.321 1.00 1.78 O ATOM 0 H ASP A 193 -15.459 -6.040 0.287 1.00 0.20 H new ATOM 0 HA ASP A 193 -17.199 -4.343 -1.374 1.00 0.24 H new ATOM 0 HB2 ASP A 193 -15.152 -3.672 0.781 1.00 0.33 H new ATOM 0 HB3 ASP A 193 -16.088 -2.492 -0.116 1.00 0.33 H new ATOM 337 N GLN A 194 -15.357 -4.651 -3.130 1.00 0.21 N ATOM 338 CA GLN A 194 -14.383 -4.440 -4.194 1.00 0.21 C ATOM 339 C GLN A 194 -14.220 -2.950 -4.448 1.00 0.21 C ATOM 340 O GLN A 194 -13.138 -2.474 -4.787 1.00 0.24 O ATOM 341 CB GLN A 194 -14.818 -5.147 -5.476 1.00 0.26 C ATOM 342 CG GLN A 194 -14.986 -6.650 -5.324 1.00 0.26 C ATOM 343 CD GLN A 194 -13.727 -7.332 -4.822 1.00 0.25 C ATOM 344 OE1 GLN A 194 -12.861 -7.711 -5.607 1.00 0.44 O ATOM 345 NE2 GLN A 194 -13.623 -7.502 -3.513 1.00 0.35 N ATOM 0 H GLN A 194 -16.212 -5.121 -3.427 1.00 0.21 H new ATOM 0 HA GLN A 194 -13.427 -4.861 -3.881 1.00 0.21 H new ATOM 0 HB2 GLN A 194 -15.762 -4.718 -5.814 1.00 0.26 H new ATOM 0 HB3 GLN A 194 -14.082 -4.951 -6.255 1.00 0.26 H new ATOM 0 HG2 GLN A 194 -15.804 -6.852 -4.633 1.00 0.26 H new ATOM 0 HG3 GLN A 194 -15.268 -7.079 -6.285 1.00 0.26 H new ATOM 0 HE21 GLN A 194 -14.365 -7.172 -2.895 1.00 0.35 H new ATOM 0 HE22 GLN A 194 -12.801 -7.962 -3.122 1.00 0.35 H new ATOM 354 N ALA A 195 -15.319 -2.230 -4.282 1.00 0.25 N ATOM 355 CA ALA A 195 -15.313 -0.776 -4.345 1.00 0.25 C ATOM 356 C ALA A 195 -14.347 -0.194 -3.323 1.00 0.20 C ATOM 357 O ALA A 195 -13.718 0.836 -3.558 1.00 0.19 O ATOM 358 CB ALA A 195 -16.712 -0.232 -4.115 1.00 0.32 C ATOM 0 H ALA A 195 -16.237 -2.635 -4.100 1.00 0.25 H new ATOM 0 HA ALA A 195 -14.979 -0.479 -5.339 1.00 0.25 H new ATOM 0 HB1 ALA A 195 -16.692 0.857 -4.165 1.00 0.32 H new ATOM 0 HB2 ALA A 195 -17.383 -0.618 -4.882 1.00 0.32 H new ATOM 0 HB3 ALA A 195 -17.067 -0.544 -3.132 1.00 0.32 H new ATOM 364 N ALA A 196 -14.209 -0.874 -2.194 1.00 0.17 N ATOM 365 CA ALA A 196 -13.300 -0.430 -1.156 1.00 0.15 C ATOM 366 C ALA A 196 -11.878 -0.772 -1.549 1.00 0.10 C ATOM 367 O ALA A 196 -10.962 0.001 -1.300 1.00 0.08 O ATOM 368 CB ALA A 196 -13.653 -1.051 0.182 1.00 0.18 C ATOM 0 H ALA A 196 -14.715 -1.733 -1.977 1.00 0.17 H new ATOM 0 HA ALA A 196 -13.391 0.651 -1.049 1.00 0.15 H new ATOM 0 HB1 ALA A 196 -12.954 -0.700 0.942 1.00 0.18 H new ATOM 0 HB2 ALA A 196 -14.667 -0.763 0.461 1.00 0.18 H new ATOM 0 HB3 ALA A 196 -13.592 -2.137 0.107 1.00 0.18 H new ATOM 374 N VAL A 197 -11.708 -1.931 -2.185 1.00 0.11 N ATOM 375 CA VAL A 197 -10.415 -2.314 -2.742 1.00 0.10 C ATOM 376 C VAL A 197 -9.919 -1.227 -3.685 1.00 0.11 C ATOM 377 O VAL A 197 -8.752 -0.837 -3.655 1.00 0.11 O ATOM 378 CB VAL A 197 -10.495 -3.643 -3.521 1.00 0.12 C ATOM 379 CG1 VAL A 197 -9.124 -4.047 -4.046 1.00 0.14 C ATOM 380 CG2 VAL A 197 -11.079 -4.744 -2.656 1.00 0.11 C ATOM 0 H VAL A 197 -12.449 -2.618 -2.326 1.00 0.11 H new ATOM 0 HA VAL A 197 -9.727 -2.443 -1.907 1.00 0.10 H new ATOM 0 HB VAL A 197 -11.157 -3.492 -4.374 1.00 0.12 H new ATOM 0 HG11 VAL A 197 -9.206 -4.987 -4.592 1.00 0.14 H new ATOM 0 HG12 VAL A 197 -8.747 -3.272 -4.713 1.00 0.14 H new ATOM 0 HG13 VAL A 197 -8.436 -4.172 -3.210 1.00 0.14 H new ATOM 0 HG21 VAL A 197 -11.125 -5.671 -3.228 1.00 0.11 H new ATOM 0 HG22 VAL A 197 -10.449 -4.890 -1.779 1.00 0.11 H new ATOM 0 HG23 VAL A 197 -12.083 -4.463 -2.339 1.00 0.11 H new ATOM 390 N ARG A 198 -10.830 -0.725 -4.507 1.00 0.12 N ATOM 391 CA ARG A 198 -10.515 0.352 -5.428 1.00 0.14 C ATOM 392 C ARG A 198 -10.054 1.581 -4.674 1.00 0.13 C ATOM 393 O ARG A 198 -8.950 2.073 -4.887 1.00 0.14 O ATOM 394 CB ARG A 198 -11.732 0.733 -6.261 1.00 0.19 C ATOM 395 CG ARG A 198 -12.116 -0.275 -7.321 1.00 0.24 C ATOM 396 CD ARG A 198 -13.126 0.339 -8.268 1.00 0.35 C ATOM 397 NE ARG A 198 -12.659 1.634 -8.764 1.00 1.12 N ATOM 398 CZ ARG A 198 -13.422 2.517 -9.399 1.00 1.48 C ATOM 399 NH1 ARG A 198 -14.688 2.234 -9.673 1.00 1.02 N ATOM 400 NH2 ARG A 198 -12.911 3.687 -9.762 1.00 2.36 N ATOM 0 H ARG A 198 -11.796 -1.049 -4.553 1.00 0.12 H new ATOM 0 HA ARG A 198 -9.720 -0.006 -6.082 1.00 0.14 H new ATOM 0 HB2 ARG A 198 -12.581 0.878 -5.593 1.00 0.19 H new ATOM 0 HB3 ARG A 198 -11.539 1.691 -6.744 1.00 0.19 H new ATOM 0 HG2 ARG A 198 -11.231 -0.591 -7.873 1.00 0.24 H new ATOM 0 HG3 ARG A 198 -12.536 -1.166 -6.854 1.00 0.24 H new ATOM 0 HD2 ARG A 198 -13.300 -0.335 -9.107 1.00 0.35 H new ATOM 0 HD3 ARG A 198 -14.080 0.464 -7.757 1.00 0.35 H new ATOM 0 HE ARG A 198 -11.680 1.876 -8.612 1.00 1.12 H new ATOM 0 HH11 ARG A 198 -15.081 1.334 -9.396 1.00 1.02 H new ATOM 0 HH12 ARG A 198 -15.269 2.916 -10.161 1.00 1.02 H new ATOM 0 HH21 ARG A 198 -11.937 3.905 -9.553 1.00 2.36 H new ATOM 0 HH22 ARG A 198 -13.493 4.368 -10.250 1.00 2.36 H new ATOM 414 N GLN A 199 -10.909 2.055 -3.782 1.00 0.13 N ATOM 415 CA GLN A 199 -10.672 3.300 -3.067 1.00 0.13 C ATOM 416 C GLN A 199 -9.367 3.260 -2.272 1.00 0.12 C ATOM 417 O GLN A 199 -8.638 4.254 -2.208 1.00 0.12 O ATOM 418 CB GLN A 199 -11.852 3.596 -2.146 1.00 0.14 C ATOM 419 CG GLN A 199 -13.157 3.808 -2.892 1.00 0.17 C ATOM 420 CD GLN A 199 -14.355 3.927 -1.971 1.00 0.23 C ATOM 421 OE1 GLN A 199 -14.719 5.018 -1.534 1.00 0.29 O ATOM 422 NE2 GLN A 199 -14.986 2.804 -1.684 1.00 0.25 N ATOM 0 H GLN A 199 -11.783 1.591 -3.534 1.00 0.13 H new ATOM 0 HA GLN A 199 -10.576 4.099 -3.802 1.00 0.13 H new ATOM 0 HB2 GLN A 199 -11.972 2.771 -1.444 1.00 0.14 H new ATOM 0 HB3 GLN A 199 -11.630 4.485 -1.557 1.00 0.14 H new ATOM 0 HG2 GLN A 199 -13.080 4.711 -3.497 1.00 0.17 H new ATOM 0 HG3 GLN A 199 -13.315 2.977 -3.579 1.00 0.17 H new ATOM 0 HE21 GLN A 199 -14.652 1.919 -2.067 1.00 0.25 H new ATOM 0 HE22 GLN A 199 -15.807 2.821 -1.080 1.00 0.25 H new ATOM 431 N VAL A 200 -9.049 2.106 -1.700 1.00 0.12 N ATOM 432 CA VAL A 200 -7.849 1.992 -0.890 1.00 0.12 C ATOM 433 C VAL A 200 -6.614 1.946 -1.777 1.00 0.12 C ATOM 434 O VAL A 200 -5.604 2.568 -1.467 1.00 0.12 O ATOM 435 CB VAL A 200 -7.865 0.766 0.053 1.00 0.14 C ATOM 436 CG1 VAL A 200 -9.047 0.839 0.999 1.00 0.16 C ATOM 437 CG2 VAL A 200 -7.889 -0.539 -0.722 1.00 0.14 C ATOM 0 H VAL A 200 -9.597 1.250 -1.781 1.00 0.12 H new ATOM 0 HA VAL A 200 -7.819 2.879 -0.257 1.00 0.12 H new ATOM 0 HB VAL A 200 -6.944 0.788 0.635 1.00 0.14 H new ATOM 0 HG11 VAL A 200 -9.042 -0.032 1.655 1.00 0.16 H new ATOM 0 HG12 VAL A 200 -8.977 1.746 1.599 1.00 0.16 H new ATOM 0 HG13 VAL A 200 -9.973 0.855 0.424 1.00 0.16 H new ATOM 0 HG21 VAL A 200 -7.900 -1.376 -0.024 1.00 0.14 H new ATOM 0 HG22 VAL A 200 -8.782 -0.575 -1.346 1.00 0.14 H new ATOM 0 HG23 VAL A 200 -7.003 -0.604 -1.353 1.00 0.14 H new ATOM 447 N MET A 201 -6.709 1.245 -2.904 1.00 0.13 N ATOM 448 CA MET A 201 -5.587 1.133 -3.824 1.00 0.15 C ATOM 449 C MET A 201 -5.298 2.464 -4.495 1.00 0.12 C ATOM 450 O MET A 201 -4.142 2.835 -4.688 1.00 0.13 O ATOM 451 CB MET A 201 -5.861 0.069 -4.890 1.00 0.20 C ATOM 452 CG MET A 201 -5.808 -1.352 -4.359 1.00 1.01 C ATOM 453 SD MET A 201 -4.212 -1.756 -3.628 1.00 1.58 S ATOM 454 CE MET A 201 -3.118 -1.501 -5.024 1.00 1.20 C ATOM 0 H MET A 201 -7.550 0.748 -3.199 1.00 0.13 H new ATOM 0 HA MET A 201 -4.714 0.836 -3.243 1.00 0.15 H new ATOM 0 HB2 MET A 201 -6.844 0.248 -5.326 1.00 0.20 H new ATOM 0 HB3 MET A 201 -5.132 0.175 -5.693 1.00 0.20 H new ATOM 0 HG2 MET A 201 -6.591 -1.487 -3.612 1.00 1.01 H new ATOM 0 HG3 MET A 201 -6.019 -2.048 -5.171 1.00 1.01 H new ATOM 0 HE1 MET A 201 -2.211 -2.090 -4.888 1.00 1.20 H new ATOM 0 HE2 MET A 201 -3.619 -1.813 -5.940 1.00 1.20 H new ATOM 0 HE3 MET A 201 -2.858 -0.445 -5.094 1.00 1.20 H new ATOM 464 N GLU A 202 -6.354 3.194 -4.821 1.00 0.11 N ATOM 465 CA GLU A 202 -6.217 4.461 -5.516 1.00 0.11 C ATOM 466 C GLU A 202 -5.717 5.537 -4.564 1.00 0.10 C ATOM 467 O GLU A 202 -5.029 6.470 -4.974 1.00 0.10 O ATOM 468 CB GLU A 202 -7.547 4.877 -6.147 1.00 0.12 C ATOM 469 CG GLU A 202 -7.978 3.972 -7.292 1.00 0.14 C ATOM 470 CD GLU A 202 -9.268 4.421 -7.951 1.00 0.19 C ATOM 471 OE1 GLU A 202 -9.285 5.517 -8.554 1.00 1.07 O ATOM 472 OE2 GLU A 202 -10.270 3.674 -7.884 1.00 0.99 O ATOM 0 H GLU A 202 -7.317 2.928 -4.614 1.00 0.11 H new ATOM 0 HA GLU A 202 -5.485 4.338 -6.314 1.00 0.11 H new ATOM 0 HB2 GLU A 202 -8.322 4.875 -5.380 1.00 0.12 H new ATOM 0 HB3 GLU A 202 -7.463 5.900 -6.513 1.00 0.12 H new ATOM 0 HG2 GLU A 202 -7.186 3.941 -8.040 1.00 0.14 H new ATOM 0 HG3 GLU A 202 -8.103 2.956 -6.917 1.00 0.14 H new ATOM 479 N ARG A 203 -6.030 5.383 -3.283 1.00 0.09 N ATOM 480 CA ARG A 203 -5.572 6.333 -2.282 1.00 0.08 C ATOM 481 C ARG A 203 -4.125 6.033 -1.900 1.00 0.08 C ATOM 482 O ARG A 203 -3.348 6.944 -1.630 1.00 0.08 O ATOM 483 CB ARG A 203 -6.479 6.308 -1.050 1.00 0.10 C ATOM 484 CG ARG A 203 -6.033 7.250 0.054 1.00 0.21 C ATOM 485 CD ARG A 203 -7.043 7.295 1.186 1.00 0.14 C ATOM 486 NE ARG A 203 -6.507 7.937 2.385 1.00 0.48 N ATOM 487 CZ ARG A 203 -7.177 8.043 3.531 1.00 0.40 C ATOM 488 NH1 ARG A 203 -8.431 7.622 3.612 1.00 0.60 N ATOM 489 NH2 ARG A 203 -6.590 8.575 4.593 1.00 0.79 N ATOM 0 H ARG A 203 -6.594 4.616 -2.917 1.00 0.09 H new ATOM 0 HA ARG A 203 -5.619 7.336 -2.707 1.00 0.08 H new ATOM 0 HB2 ARG A 203 -7.493 6.569 -1.351 1.00 0.10 H new ATOM 0 HB3 ARG A 203 -6.515 5.292 -0.657 1.00 0.10 H new ATOM 0 HG2 ARG A 203 -5.066 6.928 0.440 1.00 0.21 H new ATOM 0 HG3 ARG A 203 -5.896 8.252 -0.354 1.00 0.21 H new ATOM 0 HD2 ARG A 203 -7.932 7.833 0.855 1.00 0.14 H new ATOM 0 HD3 ARG A 203 -7.357 6.280 1.430 1.00 0.14 H new ATOM 0 HE ARG A 203 -5.565 8.326 2.341 1.00 0.48 H new ATOM 0 HH11 ARG A 203 -8.886 7.215 2.795 1.00 0.60 H new ATOM 0 HH12 ARG A 203 -8.941 7.705 4.491 1.00 0.60 H new ATOM 0 HH21 ARG A 203 -5.626 8.903 4.532 1.00 0.79 H new ATOM 0 HH22 ARG A 203 -7.102 8.657 5.471 1.00 0.79 H new ATOM 503 N LEU A 204 -3.775 4.753 -1.872 1.00 0.08 N ATOM 504 CA LEU A 204 -2.390 4.339 -1.664 1.00 0.08 C ATOM 505 C LEU A 204 -1.492 4.828 -2.798 1.00 0.08 C ATOM 506 O LEU A 204 -0.388 5.306 -2.558 1.00 0.08 O ATOM 507 CB LEU A 204 -2.293 2.817 -1.554 1.00 0.08 C ATOM 508 CG LEU A 204 -2.803 2.214 -0.244 1.00 0.08 C ATOM 509 CD1 LEU A 204 -2.899 0.701 -0.354 1.00 0.09 C ATOM 510 CD2 LEU A 204 -1.889 2.600 0.907 1.00 0.09 C ATOM 0 H LEU A 204 -4.431 3.981 -1.991 1.00 0.08 H new ATOM 0 HA LEU A 204 -2.050 4.788 -0.731 1.00 0.08 H new ATOM 0 HB2 LEU A 204 -2.852 2.375 -2.378 1.00 0.08 H new ATOM 0 HB3 LEU A 204 -1.250 2.527 -1.685 1.00 0.08 H new ATOM 0 HG LEU A 204 -3.799 2.611 -0.048 1.00 0.08 H new ATOM 0 HD11 LEU A 204 -3.264 0.290 0.588 1.00 0.09 H new ATOM 0 HD12 LEU A 204 -3.589 0.438 -1.156 1.00 0.09 H new ATOM 0 HD13 LEU A 204 -1.914 0.289 -0.572 1.00 0.09 H new ATOM 0 HD21 LEU A 204 -2.265 2.164 1.832 1.00 0.09 H new ATOM 0 HD22 LEU A 204 -0.883 2.228 0.713 1.00 0.09 H new ATOM 0 HD23 LEU A 204 -1.863 3.685 1.002 1.00 0.09 H new ATOM 522 N GLN A 205 -1.977 4.713 -4.027 1.00 0.10 N ATOM 523 CA GLN A 205 -1.203 5.129 -5.195 1.00 0.12 C ATOM 524 C GLN A 205 -1.090 6.646 -5.260 1.00 0.11 C ATOM 525 O GLN A 205 -0.006 7.192 -5.486 1.00 0.13 O ATOM 526 CB GLN A 205 -1.826 4.592 -6.481 1.00 0.17 C ATOM 527 CG GLN A 205 -1.727 3.084 -6.609 1.00 0.65 C ATOM 528 CD GLN A 205 -2.311 2.559 -7.903 1.00 0.76 C ATOM 529 OE1 GLN A 205 -2.308 3.244 -8.925 1.00 1.30 O ATOM 530 NE2 GLN A 205 -2.813 1.337 -7.870 1.00 0.81 N ATOM 0 H GLN A 205 -2.900 4.337 -4.244 1.00 0.10 H new ATOM 0 HA GLN A 205 -0.201 4.711 -5.095 1.00 0.12 H new ATOM 0 HB2 GLN A 205 -2.875 4.885 -6.519 1.00 0.17 H new ATOM 0 HB3 GLN A 205 -1.335 5.056 -7.336 1.00 0.17 H new ATOM 0 HG2 GLN A 205 -0.680 2.788 -6.543 1.00 0.65 H new ATOM 0 HG3 GLN A 205 -2.243 2.619 -5.769 1.00 0.65 H new ATOM 0 HE21 GLN A 205 -2.796 0.802 -7.002 1.00 0.81 H new ATOM 0 HE22 GLN A 205 -3.217 0.929 -8.713 1.00 0.81 H new ATOM 539 N LYS A 206 -2.211 7.324 -5.055 1.00 0.10 N ATOM 540 CA LYS A 206 -2.228 8.775 -5.035 1.00 0.11 C ATOM 541 C LYS A 206 -1.319 9.285 -3.929 1.00 0.09 C ATOM 542 O LYS A 206 -0.488 10.165 -4.144 1.00 0.09 O ATOM 543 CB LYS A 206 -3.651 9.284 -4.820 1.00 0.14 C ATOM 544 CG LYS A 206 -3.752 10.794 -4.762 1.00 0.20 C ATOM 545 CD LYS A 206 -5.186 11.248 -4.564 1.00 0.32 C ATOM 546 CE LYS A 206 -5.287 12.762 -4.531 1.00 0.92 C ATOM 547 NZ LYS A 206 -4.835 13.381 -5.807 1.00 1.53 N ATOM 0 H LYS A 206 -3.120 6.889 -4.900 1.00 0.10 H new ATOM 0 HA LYS A 206 -1.866 9.146 -5.994 1.00 0.11 H new ATOM 0 HB2 LYS A 206 -4.285 8.916 -5.627 1.00 0.14 H new ATOM 0 HB3 LYS A 206 -4.041 8.866 -3.892 1.00 0.14 H new ATOM 0 HG2 LYS A 206 -3.134 11.170 -3.946 1.00 0.20 H new ATOM 0 HG3 LYS A 206 -3.358 11.222 -5.684 1.00 0.20 H new ATOM 0 HD2 LYS A 206 -5.808 10.858 -5.370 1.00 0.32 H new ATOM 0 HD3 LYS A 206 -5.575 10.835 -3.633 1.00 0.32 H new ATOM 0 HE2 LYS A 206 -6.319 13.052 -4.334 1.00 0.92 H new ATOM 0 HE3 LYS A 206 -4.685 13.147 -3.708 1.00 0.92 H new ATOM 0 HZ1 LYS A 206 -5.136 14.376 -5.836 1.00 1.53 H new ATOM 0 HZ2 LYS A 206 -3.798 13.331 -5.869 1.00 1.53 H new ATOM 0 HZ3 LYS A 206 -5.254 12.869 -6.609 1.00 1.53 H new ATOM 561 N GLY A 207 -1.487 8.720 -2.745 1.00 0.10 N ATOM 562 CA GLY A 207 -0.648 9.061 -1.623 1.00 0.10 C ATOM 563 C GLY A 207 0.816 8.796 -1.887 1.00 0.09 C ATOM 564 O GLY A 207 1.667 9.560 -1.453 1.00 0.10 O ATOM 0 H GLY A 207 -2.202 8.021 -2.542 1.00 0.10 H new ATOM 0 HA2 GLY A 207 -0.784 10.115 -1.380 1.00 0.10 H new ATOM 0 HA3 GLY A 207 -0.965 8.489 -0.751 1.00 0.10 H new ATOM 568 N TRP A 208 1.111 7.715 -2.588 1.00 0.08 N ATOM 569 CA TRP A 208 2.479 7.410 -2.984 1.00 0.08 C ATOM 570 C TRP A 208 3.032 8.542 -3.848 1.00 0.09 C ATOM 571 O TRP A 208 4.197 8.925 -3.725 1.00 0.12 O ATOM 572 CB TRP A 208 2.521 6.080 -3.746 1.00 0.09 C ATOM 573 CG TRP A 208 3.900 5.640 -4.134 1.00 0.09 C ATOM 574 CD1 TRP A 208 4.492 5.783 -5.355 1.00 0.10 C ATOM 575 CD2 TRP A 208 4.856 4.981 -3.298 1.00 0.10 C ATOM 576 NE1 TRP A 208 5.761 5.260 -5.327 1.00 0.12 N ATOM 577 CE2 TRP A 208 6.007 4.760 -4.077 1.00 0.12 C ATOM 578 CE3 TRP A 208 4.853 4.558 -1.967 1.00 0.12 C ATOM 579 CZ2 TRP A 208 7.144 4.139 -3.568 1.00 0.15 C ATOM 580 CZ3 TRP A 208 5.981 3.940 -1.464 1.00 0.14 C ATOM 581 CH2 TRP A 208 7.112 3.736 -2.262 1.00 0.16 C ATOM 0 H TRP A 208 0.421 7.031 -2.897 1.00 0.08 H new ATOM 0 HA TRP A 208 3.099 7.316 -2.092 1.00 0.08 H new ATOM 0 HB2 TRP A 208 2.064 5.306 -3.129 1.00 0.09 H new ATOM 0 HB3 TRP A 208 1.913 6.170 -4.646 1.00 0.09 H new ATOM 0 HD1 TRP A 208 4.030 6.241 -6.217 1.00 0.10 H new ATOM 0 HE1 TRP A 208 6.414 5.246 -6.110 1.00 0.12 H new ATOM 0 HE3 TRP A 208 3.985 4.711 -1.343 1.00 0.12 H new ATOM 0 HZ2 TRP A 208 8.019 3.981 -4.182 1.00 0.15 H new ATOM 0 HZ3 TRP A 208 5.990 3.608 -0.436 1.00 0.14 H new ATOM 0 HH2 TRP A 208 7.978 3.250 -1.837 1.00 0.16 H new ATOM 592 N SER A 209 2.174 9.086 -4.699 1.00 0.10 N ATOM 593 CA SER A 209 2.546 10.187 -5.573 1.00 0.12 C ATOM 594 C SER A 209 2.616 11.510 -4.803 1.00 0.13 C ATOM 595 O SER A 209 3.273 12.453 -5.233 1.00 0.17 O ATOM 596 CB SER A 209 1.538 10.294 -6.720 1.00 0.15 C ATOM 597 OG SER A 209 1.908 11.297 -7.649 1.00 1.18 O ATOM 0 H SER A 209 1.207 8.779 -4.802 1.00 0.10 H new ATOM 0 HA SER A 209 3.538 9.986 -5.978 1.00 0.12 H new ATOM 0 HB2 SER A 209 1.464 9.334 -7.231 1.00 0.15 H new ATOM 0 HB3 SER A 209 0.550 10.517 -6.317 1.00 0.15 H new ATOM 0 HG SER A 209 1.244 11.337 -8.369 1.00 1.18 H new ATOM 603 N LEU A 210 1.934 11.583 -3.669 1.00 0.11 N ATOM 604 CA LEU A 210 1.935 12.798 -2.859 1.00 0.11 C ATOM 605 C LEU A 210 3.102 12.810 -1.878 1.00 0.12 C ATOM 606 O LEU A 210 3.666 13.862 -1.576 1.00 0.13 O ATOM 607 CB LEU A 210 0.623 12.927 -2.086 1.00 0.11 C ATOM 608 CG LEU A 210 -0.639 13.042 -2.944 1.00 0.12 C ATOM 609 CD1 LEU A 210 -1.874 13.099 -2.062 1.00 0.12 C ATOM 610 CD2 LEU A 210 -0.568 14.269 -3.841 1.00 0.16 C ATOM 0 H LEU A 210 1.374 10.820 -3.288 1.00 0.11 H new ATOM 0 HA LEU A 210 2.042 13.643 -3.539 1.00 0.11 H new ATOM 0 HB2 LEU A 210 0.520 12.060 -1.433 1.00 0.11 H new ATOM 0 HB3 LEU A 210 0.685 13.805 -1.443 1.00 0.11 H new ATOM 0 HG LEU A 210 -0.706 12.158 -3.578 1.00 0.12 H new ATOM 0 HD11 LEU A 210 -2.764 13.181 -2.686 1.00 0.12 H new ATOM 0 HD12 LEU A 210 -1.934 12.191 -1.461 1.00 0.12 H new ATOM 0 HD13 LEU A 210 -1.812 13.966 -1.404 1.00 0.12 H new ATOM 0 HD21 LEU A 210 -1.475 14.333 -4.443 1.00 0.16 H new ATOM 0 HD22 LEU A 210 -0.477 15.164 -3.226 1.00 0.16 H new ATOM 0 HD23 LEU A 210 0.299 14.190 -4.498 1.00 0.16 H new ATOM 622 N ALA A 211 3.460 11.636 -1.385 1.00 0.12 N ATOM 623 CA ALA A 211 4.488 11.505 -0.364 1.00 0.14 C ATOM 624 C ALA A 211 5.873 11.347 -0.975 1.00 0.24 C ATOM 625 O ALA A 211 6.797 10.888 -0.307 1.00 0.39 O ATOM 626 CB ALA A 211 4.179 10.318 0.536 1.00 0.20 C ATOM 0 H ALA A 211 3.049 10.750 -1.679 1.00 0.12 H new ATOM 0 HA ALA A 211 4.488 12.421 0.226 1.00 0.14 H new ATOM 0 HB1 ALA A 211 4.954 10.227 1.297 1.00 0.20 H new ATOM 0 HB2 ALA A 211 3.213 10.468 1.017 1.00 0.20 H new ATOM 0 HB3 ALA A 211 4.149 9.407 -0.061 1.00 0.20 H new ATOM 707 N THR B 176 -9.854 0.852 5.974 1.00 0.22 N ATOM 708 CA THR B 176 -8.746 0.341 6.759 1.00 0.23 C ATOM 709 C THR B 176 -7.783 -0.446 5.879 1.00 0.19 C ATOM 710 O THR B 176 -8.195 -1.286 5.079 1.00 0.20 O ATOM 711 CB THR B 176 -9.245 -0.557 7.906 1.00 0.29 C ATOM 712 OG1 THR B 176 -10.260 0.130 8.657 1.00 0.33 O ATOM 713 CG2 THR B 176 -8.098 -0.942 8.830 1.00 0.36 C ATOM 0 HA THR B 176 -8.224 1.197 7.187 1.00 0.23 H new ATOM 0 HB THR B 176 -9.663 -1.466 7.473 1.00 0.29 H new ATOM 0 HG1 THR B 176 -10.747 0.742 8.066 1.00 0.33 H new ATOM 0 HG21 THR B 176 -8.474 -1.576 9.633 1.00 0.36 H new ATOM 0 HG22 THR B 176 -7.341 -1.484 8.264 1.00 0.36 H new ATOM 0 HG23 THR B 176 -7.656 -0.041 9.256 1.00 0.36 H new ATOM 721 N VAL B 177 -6.503 -0.162 6.031 1.00 0.16 N ATOM 722 CA VAL B 177 -5.470 -0.822 5.262 1.00 0.14 C ATOM 723 C VAL B 177 -4.657 -1.751 6.157 1.00 0.13 C ATOM 724 O VAL B 177 -4.230 -1.354 7.241 1.00 0.13 O ATOM 725 CB VAL B 177 -4.535 0.215 4.612 1.00 0.14 C ATOM 726 CG1 VAL B 177 -3.384 -0.461 3.895 1.00 0.14 C ATOM 727 CG2 VAL B 177 -5.309 1.099 3.651 1.00 0.18 C ATOM 0 H VAL B 177 -6.153 0.532 6.691 1.00 0.16 H new ATOM 0 HA VAL B 177 -5.950 -1.408 4.478 1.00 0.14 H new ATOM 0 HB VAL B 177 -4.121 0.837 5.405 1.00 0.14 H new ATOM 0 HG11 VAL B 177 -2.741 0.295 3.446 1.00 0.14 H new ATOM 0 HG12 VAL B 177 -2.808 -1.051 4.608 1.00 0.14 H new ATOM 0 HG13 VAL B 177 -3.775 -1.115 3.115 1.00 0.14 H new ATOM 0 HG21 VAL B 177 -4.633 1.826 3.201 1.00 0.18 H new ATOM 0 HG22 VAL B 177 -5.754 0.484 2.869 1.00 0.18 H new ATOM 0 HG23 VAL B 177 -6.097 1.623 4.193 1.00 0.18 H new ATOM 737 N PRO B 178 -4.453 -3.009 5.736 1.00 0.12 N ATOM 738 CA PRO B 178 -3.626 -3.946 6.488 1.00 0.13 C ATOM 739 C PRO B 178 -2.139 -3.639 6.316 1.00 0.12 C ATOM 740 O PRO B 178 -1.471 -4.187 5.441 1.00 0.11 O ATOM 741 CB PRO B 178 -3.974 -5.296 5.858 1.00 0.13 C ATOM 742 CG PRO B 178 -4.381 -4.971 4.462 1.00 0.13 C ATOM 743 CD PRO B 178 -5.020 -3.610 4.519 1.00 0.13 C ATOM 0 HA PRO B 178 -3.810 -3.906 7.562 1.00 0.13 H new ATOM 0 HB2 PRO B 178 -3.119 -5.972 5.874 1.00 0.13 H new ATOM 0 HB3 PRO B 178 -4.780 -5.790 6.400 1.00 0.13 H new ATOM 0 HG2 PRO B 178 -3.519 -4.969 3.795 1.00 0.13 H new ATOM 0 HG3 PRO B 178 -5.080 -5.714 4.077 1.00 0.13 H new ATOM 0 HD2 PRO B 178 -4.784 -3.020 3.634 1.00 0.13 H new ATOM 0 HD3 PRO B 178 -6.106 -3.680 4.576 1.00 0.13 H new ATOM 751 N TRP B 179 -1.632 -2.788 7.188 1.00 0.13 N ATOM 752 CA TRP B 179 -0.242 -2.362 7.125 1.00 0.14 C ATOM 753 C TRP B 179 0.704 -3.483 7.529 1.00 0.13 C ATOM 754 O TRP B 179 1.848 -3.522 7.092 1.00 0.15 O ATOM 755 CB TRP B 179 -0.024 -1.126 7.993 1.00 0.17 C ATOM 756 CG TRP B 179 -0.834 0.045 7.530 1.00 0.15 C ATOM 757 CD1 TRP B 179 -1.902 0.609 8.163 1.00 0.16 C ATOM 758 CD2 TRP B 179 -0.653 0.779 6.316 1.00 0.14 C ATOM 759 NE1 TRP B 179 -2.394 1.652 7.418 1.00 0.15 N ATOM 760 CE2 TRP B 179 -1.641 1.779 6.282 1.00 0.14 C ATOM 761 CE3 TRP B 179 0.251 0.690 5.256 1.00 0.16 C ATOM 762 CZ2 TRP B 179 -1.748 2.684 5.231 1.00 0.16 C ATOM 763 CZ3 TRP B 179 0.146 1.586 4.215 1.00 0.18 C ATOM 764 CH2 TRP B 179 -0.848 2.573 4.207 1.00 0.18 C ATOM 0 H TRP B 179 -2.164 -2.375 7.954 1.00 0.13 H new ATOM 0 HA TRP B 179 -0.017 -2.103 6.090 1.00 0.14 H new ATOM 0 HB2 TRP B 179 -0.285 -1.359 9.025 1.00 0.17 H new ATOM 0 HB3 TRP B 179 1.033 -0.860 7.983 1.00 0.17 H new ATOM 0 HD1 TRP B 179 -2.302 0.283 9.112 1.00 0.16 H new ATOM 0 HE1 TRP B 179 -3.191 2.237 7.670 1.00 0.15 H new ATOM 0 HE3 TRP B 179 1.020 -0.069 5.252 1.00 0.16 H new ATOM 0 HZ2 TRP B 179 -2.513 3.446 5.224 1.00 0.16 H new ATOM 0 HZ3 TRP B 179 0.842 1.527 3.391 1.00 0.18 H new ATOM 0 HH2 TRP B 179 -0.905 3.260 3.376 1.00 0.18 H new ATOM 775 N ASP B 180 0.213 -4.402 8.343 1.00 0.13 N ATOM 776 CA ASP B 180 1.003 -5.561 8.743 1.00 0.14 C ATOM 777 C ASP B 180 1.227 -6.482 7.552 1.00 0.11 C ATOM 778 O ASP B 180 2.357 -6.877 7.252 1.00 0.12 O ATOM 779 CB ASP B 180 0.299 -6.323 9.868 1.00 0.19 C ATOM 780 CG ASP B 180 1.028 -7.596 10.257 1.00 1.21 C ATOM 781 OD1 ASP B 180 1.906 -7.537 11.141 1.00 2.10 O ATOM 782 OD2 ASP B 180 0.712 -8.666 9.689 1.00 1.82 O ATOM 0 H ASP B 180 -0.726 -4.371 8.741 1.00 0.13 H new ATOM 0 HA ASP B 180 1.970 -5.212 9.107 1.00 0.14 H new ATOM 0 HB2 ASP B 180 0.214 -5.676 10.741 1.00 0.19 H new ATOM 0 HB3 ASP B 180 -0.715 -6.571 9.554 1.00 0.19 H new ATOM 787 N ASP B 181 0.140 -6.794 6.858 1.00 0.11 N ATOM 788 CA ASP B 181 0.188 -7.686 5.709 1.00 0.12 C ATOM 789 C ASP B 181 0.958 -7.045 4.571 1.00 0.11 C ATOM 790 O ASP B 181 1.707 -7.713 3.855 1.00 0.13 O ATOM 791 CB ASP B 181 -1.222 -8.039 5.241 1.00 0.16 C ATOM 792 CG ASP B 181 -1.988 -8.862 6.251 1.00 0.23 C ATOM 793 OD1 ASP B 181 -2.573 -8.274 7.188 1.00 1.03 O ATOM 794 OD2 ASP B 181 -2.020 -10.102 6.107 1.00 0.81 O ATOM 0 H ASP B 181 -0.792 -6.439 7.074 1.00 0.11 H new ATOM 0 HA ASP B 181 0.698 -8.600 6.013 1.00 0.12 H new ATOM 0 HB2 ASP B 181 -1.772 -7.121 5.036 1.00 0.16 H new ATOM 0 HB3 ASP B 181 -1.161 -8.590 4.302 1.00 0.16 H new ATOM 799 N ILE B 182 0.773 -5.743 4.404 1.00 0.11 N ATOM 800 CA ILE B 182 1.482 -5.010 3.376 1.00 0.14 C ATOM 801 C ILE B 182 2.969 -4.972 3.687 1.00 0.13 C ATOM 802 O ILE B 182 3.791 -5.151 2.794 1.00 0.13 O ATOM 803 CB ILE B 182 0.936 -3.576 3.203 1.00 0.16 C ATOM 804 CG1 ILE B 182 -0.483 -3.623 2.647 1.00 0.17 C ATOM 805 CG2 ILE B 182 1.833 -2.762 2.284 1.00 0.26 C ATOM 806 CD1 ILE B 182 -1.090 -2.261 2.432 1.00 0.20 C ATOM 0 H ILE B 182 0.138 -5.178 4.968 1.00 0.11 H new ATOM 0 HA ILE B 182 1.323 -5.535 2.434 1.00 0.14 H new ATOM 0 HB ILE B 182 0.921 -3.093 4.180 1.00 0.16 H new ATOM 0 HG12 ILE B 182 -0.476 -4.162 1.700 1.00 0.17 H new ATOM 0 HG13 ILE B 182 -1.114 -4.189 3.332 1.00 0.17 H new ATOM 0 HG21 ILE B 182 1.428 -1.756 2.178 1.00 0.26 H new ATOM 0 HG22 ILE B 182 2.835 -2.706 2.709 1.00 0.26 H new ATOM 0 HG23 ILE B 182 1.880 -3.239 1.305 1.00 0.26 H new ATOM 0 HD11 ILE B 182 -2.099 -2.371 2.035 1.00 0.20 H new ATOM 0 HD12 ILE B 182 -1.129 -1.726 3.381 1.00 0.20 H new ATOM 0 HD13 ILE B 182 -0.481 -1.699 1.724 1.00 0.20 H new ATOM 818 N GLU B 183 3.322 -4.772 4.955 1.00 0.13 N ATOM 819 CA GLU B 183 4.722 -4.780 5.347 1.00 0.15 C ATOM 820 C GLU B 183 5.344 -6.134 5.054 1.00 0.13 C ATOM 821 O GLU B 183 6.501 -6.217 4.666 1.00 0.14 O ATOM 822 CB GLU B 183 4.898 -4.464 6.833 1.00 0.18 C ATOM 823 CG GLU B 183 6.352 -4.246 7.222 1.00 0.27 C ATOM 824 CD GLU B 183 6.600 -4.395 8.704 1.00 0.34 C ATOM 825 OE1 GLU B 183 6.256 -3.469 9.469 1.00 1.07 O ATOM 826 OE2 GLU B 183 7.155 -5.437 9.110 1.00 1.09 O ATOM 0 H GLU B 183 2.665 -4.605 5.717 1.00 0.13 H new ATOM 0 HA GLU B 183 5.222 -4.005 4.766 1.00 0.15 H new ATOM 0 HB2 GLU B 183 4.323 -3.572 7.080 1.00 0.18 H new ATOM 0 HB3 GLU B 183 4.487 -5.282 7.425 1.00 0.18 H new ATOM 0 HG2 GLU B 183 6.976 -4.958 6.682 1.00 0.27 H new ATOM 0 HG3 GLU B 183 6.660 -3.249 6.907 1.00 0.27 H new ATOM 833 N ALA B 184 4.568 -7.197 5.235 1.00 0.13 N ATOM 834 CA ALA B 184 5.048 -8.542 4.957 1.00 0.13 C ATOM 835 C ALA B 184 5.241 -8.743 3.462 1.00 0.12 C ATOM 836 O ALA B 184 6.182 -9.406 3.026 1.00 0.13 O ATOM 837 CB ALA B 184 4.076 -9.573 5.508 1.00 0.15 C ATOM 0 H ALA B 184 3.606 -7.152 5.572 1.00 0.13 H new ATOM 0 HA ALA B 184 6.012 -8.673 5.449 1.00 0.13 H new ATOM 0 HB1 ALA B 184 4.448 -10.575 5.293 1.00 0.15 H new ATOM 0 HB2 ALA B 184 3.982 -9.445 6.586 1.00 0.15 H new ATOM 0 HB3 ALA B 184 3.100 -9.440 5.040 1.00 0.15 H new ATOM 843 N LEU B 185 4.361 -8.135 2.680 1.00 0.12 N ATOM 844 CA LEU B 185 4.429 -8.233 1.234 1.00 0.12 C ATOM 845 C LEU B 185 5.653 -7.501 0.713 1.00 0.11 C ATOM 846 O LEU B 185 6.378 -8.012 -0.132 1.00 0.11 O ATOM 847 CB LEU B 185 3.171 -7.650 0.597 1.00 0.14 C ATOM 848 CG LEU B 185 3.207 -7.541 -0.926 1.00 0.15 C ATOM 849 CD1 LEU B 185 3.340 -8.914 -1.562 1.00 0.16 C ATOM 850 CD2 LEU B 185 1.966 -6.835 -1.428 1.00 0.17 C ATOM 0 H LEU B 185 3.589 -7.566 3.027 1.00 0.12 H new ATOM 0 HA LEU B 185 4.503 -9.287 0.967 1.00 0.12 H new ATOM 0 HB2 LEU B 185 2.319 -8.267 0.882 1.00 0.14 H new ATOM 0 HB3 LEU B 185 2.998 -6.657 1.013 1.00 0.14 H new ATOM 0 HG LEU B 185 4.080 -6.954 -1.211 1.00 0.15 H new ATOM 0 HD11 LEU B 185 3.364 -8.812 -2.647 1.00 0.16 H new ATOM 0 HD12 LEU B 185 4.262 -9.385 -1.222 1.00 0.16 H new ATOM 0 HD13 LEU B 185 2.490 -9.532 -1.274 1.00 0.16 H new ATOM 0 HD21 LEU B 185 2.003 -6.763 -2.515 1.00 0.17 H new ATOM 0 HD22 LEU B 185 1.082 -7.399 -1.131 1.00 0.17 H new ATOM 0 HD23 LEU B 185 1.919 -5.834 -1.000 1.00 0.17 H new ATOM 862 N LEU B 186 5.876 -6.305 1.230 1.00 0.10 N ATOM 863 CA LEU B 186 7.020 -5.502 0.837 1.00 0.09 C ATOM 864 C LEU B 186 8.302 -6.076 1.412 1.00 0.09 C ATOM 865 O LEU B 186 9.377 -5.902 0.855 1.00 0.08 O ATOM 866 CB LEU B 186 6.842 -4.051 1.289 1.00 0.10 C ATOM 867 CG LEU B 186 6.043 -3.157 0.334 1.00 0.10 C ATOM 868 CD1 LEU B 186 6.710 -3.122 -1.028 1.00 0.09 C ATOM 869 CD2 LEU B 186 4.605 -3.633 0.205 1.00 0.14 C ATOM 0 H LEU B 186 5.275 -5.867 1.928 1.00 0.10 H new ATOM 0 HA LEU B 186 7.089 -5.522 -0.251 1.00 0.09 H new ATOM 0 HB2 LEU B 186 6.347 -4.049 2.260 1.00 0.10 H new ATOM 0 HB3 LEU B 186 7.828 -3.610 1.433 1.00 0.10 H new ATOM 0 HG LEU B 186 6.026 -2.149 0.749 1.00 0.10 H new ATOM 0 HD11 LEU B 186 6.134 -2.484 -1.699 1.00 0.09 H new ATOM 0 HD12 LEU B 186 7.720 -2.725 -0.928 1.00 0.09 H new ATOM 0 HD13 LEU B 186 6.755 -4.131 -1.437 1.00 0.09 H new ATOM 0 HD21 LEU B 186 4.065 -2.978 -0.479 1.00 0.14 H new ATOM 0 HD22 LEU B 186 4.592 -4.652 -0.182 1.00 0.14 H new ATOM 0 HD23 LEU B 186 4.125 -3.611 1.183 1.00 0.14 H new ATOM 881 N LYS B 187 8.172 -6.767 2.530 1.00 0.11 N ATOM 882 CA LYS B 187 9.300 -7.435 3.155 1.00 0.12 C ATOM 883 C LYS B 187 9.789 -8.545 2.240 1.00 0.13 C ATOM 884 O LYS B 187 10.987 -8.699 2.006 1.00 0.14 O ATOM 885 CB LYS B 187 8.880 -8.006 4.508 1.00 0.15 C ATOM 886 CG LYS B 187 10.040 -8.328 5.429 1.00 0.22 C ATOM 887 CD LYS B 187 9.565 -8.978 6.722 1.00 0.29 C ATOM 888 CE LYS B 187 8.572 -8.105 7.481 1.00 0.78 C ATOM 889 NZ LYS B 187 9.176 -6.827 7.949 1.00 1.62 N ATOM 0 H LYS B 187 7.289 -6.881 3.027 1.00 0.11 H new ATOM 0 HA LYS B 187 10.108 -6.722 3.317 1.00 0.12 H new ATOM 0 HB2 LYS B 187 8.223 -7.291 5.004 1.00 0.15 H new ATOM 0 HB3 LYS B 187 8.298 -8.913 4.343 1.00 0.15 H new ATOM 0 HG2 LYS B 187 10.735 -8.995 4.920 1.00 0.22 H new ATOM 0 HG3 LYS B 187 10.587 -7.414 5.660 1.00 0.22 H new ATOM 0 HD2 LYS B 187 9.101 -9.937 6.494 1.00 0.29 H new ATOM 0 HD3 LYS B 187 10.425 -9.184 7.359 1.00 0.29 H new ATOM 0 HE2 LYS B 187 7.720 -7.886 6.837 1.00 0.78 H new ATOM 0 HE3 LYS B 187 8.189 -8.658 8.339 1.00 0.78 H new ATOM 0 HZ1 LYS B 187 8.519 -6.350 8.598 1.00 1.62 H new ATOM 0 HZ2 LYS B 187 10.069 -7.026 8.444 1.00 1.62 H new ATOM 0 HZ3 LYS B 187 9.363 -6.212 7.132 1.00 1.62 H new ATOM 903 N ASN B 188 8.836 -9.305 1.722 1.00 0.15 N ATOM 904 CA ASN B 188 9.109 -10.349 0.748 1.00 0.19 C ATOM 905 C ASN B 188 9.570 -9.754 -0.579 1.00 0.18 C ATOM 906 O ASN B 188 10.484 -10.268 -1.222 1.00 0.24 O ATOM 907 CB ASN B 188 7.842 -11.188 0.543 1.00 0.24 C ATOM 908 CG ASN B 188 7.923 -12.102 -0.662 1.00 0.75 C ATOM 909 OD1 ASN B 188 8.430 -13.221 -0.579 1.00 0.74 O ATOM 910 ND2 ASN B 188 7.402 -11.640 -1.788 1.00 1.37 N ATOM 0 H ASN B 188 7.850 -9.214 1.966 1.00 0.15 H new ATOM 0 HA ASN B 188 9.912 -10.982 1.124 1.00 0.19 H new ATOM 0 HB2 ASN B 188 7.662 -11.788 1.435 1.00 0.24 H new ATOM 0 HB3 ASN B 188 6.987 -10.522 0.429 1.00 0.24 H new ATOM 0 HD21 ASN B 188 7.411 -12.217 -2.629 1.00 1.37 H new ATOM 0 HD22 ASN B 188 6.991 -10.707 -1.815 1.00 1.37 H new ATOM 917 N ASN B 189 8.933 -8.663 -0.973 1.00 0.13 N ATOM 918 CA ASN B 189 9.231 -7.993 -2.234 1.00 0.14 C ATOM 919 C ASN B 189 10.651 -7.442 -2.226 1.00 0.13 C ATOM 920 O ASN B 189 11.341 -7.433 -3.247 1.00 0.16 O ATOM 921 CB ASN B 189 8.235 -6.855 -2.454 1.00 0.13 C ATOM 922 CG ASN B 189 8.251 -6.323 -3.873 1.00 0.18 C ATOM 923 OD1 ASN B 189 9.008 -5.413 -4.205 1.00 0.20 O ATOM 924 ND2 ASN B 189 7.402 -6.885 -4.718 1.00 0.22 N ATOM 0 H ASN B 189 8.195 -8.215 -0.430 1.00 0.13 H new ATOM 0 HA ASN B 189 9.146 -8.716 -3.045 1.00 0.14 H new ATOM 0 HB2 ASN B 189 7.231 -7.206 -2.214 1.00 0.13 H new ATOM 0 HB3 ASN B 189 8.462 -6.042 -1.764 1.00 0.13 H new ATOM 0 HD21 ASN B 189 7.359 -6.565 -5.686 1.00 0.22 H new ATOM 0 HD22 ASN B 189 6.791 -7.638 -4.402 1.00 0.22 H new ATOM 931 N PHE B 190 11.081 -7.007 -1.054 1.00 0.10 N ATOM 932 CA PHE B 190 12.393 -6.420 -0.863 1.00 0.10 C ATOM 933 C PHE B 190 13.269 -7.335 -0.023 1.00 0.11 C ATOM 934 O PHE B 190 13.969 -6.853 0.857 1.00 0.12 O ATOM 935 CB PHE B 190 12.294 -5.041 -0.212 1.00 0.09 C ATOM 936 CG PHE B 190 11.837 -3.960 -1.149 1.00 0.10 C ATOM 937 CD1 PHE B 190 12.708 -3.439 -2.091 1.00 1.17 C ATOM 938 CD2 PHE B 190 10.545 -3.462 -1.087 1.00 1.18 C ATOM 939 CE1 PHE B 190 12.301 -2.442 -2.956 1.00 1.18 C ATOM 940 CE2 PHE B 190 10.134 -2.464 -1.951 1.00 1.18 C ATOM 941 CZ PHE B 190 11.013 -1.954 -2.885 1.00 0.14 C ATOM 0 H PHE B 190 10.523 -7.052 -0.201 1.00 0.10 H new ATOM 0 HA PHE B 190 12.849 -6.299 -1.845 1.00 0.10 H new ATOM 0 HB2 PHE B 190 11.603 -5.095 0.629 1.00 0.09 H new ATOM 0 HB3 PHE B 190 13.269 -4.770 0.193 1.00 0.09 H new ATOM 0 HD1 PHE B 190 13.718 -3.817 -2.150 1.00 1.17 H new ATOM 0 HD2 PHE B 190 9.853 -3.857 -0.358 1.00 1.18 H new ATOM 0 HE1 PHE B 190 12.990 -2.045 -3.687 1.00 1.18 H new ATOM 0 HE2 PHE B 190 9.125 -2.083 -1.895 1.00 1.18 H new ATOM 0 HZ PHE B 190 10.693 -1.174 -3.559 1.00 0.14 H new ATOM 951 N GLU B 191 13.030 -8.647 -0.184 1.00 0.14 N ATOM 952 CA GLU B 191 13.891 -9.777 0.282 1.00 0.20 C ATOM 953 C GLU B 191 15.426 -9.532 0.284 1.00 0.21 C ATOM 954 O GLU B 191 16.204 -10.417 -0.075 1.00 0.21 O ATOM 955 CB GLU B 191 13.594 -11.001 -0.583 1.00 0.29 C ATOM 956 CG GLU B 191 13.804 -10.753 -2.071 1.00 0.37 C ATOM 957 CD GLU B 191 13.532 -11.980 -2.913 1.00 0.84 C ATOM 958 OE1 GLU B 191 14.325 -12.942 -2.845 1.00 1.73 O ATOM 959 OE2 GLU B 191 12.527 -11.991 -3.654 1.00 1.40 O ATOM 0 H GLU B 191 12.193 -8.978 -0.665 1.00 0.14 H new ATOM 0 HA GLU B 191 13.631 -9.912 1.332 1.00 0.20 H new ATOM 0 HB2 GLU B 191 14.233 -11.825 -0.265 1.00 0.29 H new ATOM 0 HB3 GLU B 191 12.563 -11.314 -0.416 1.00 0.29 H new ATOM 0 HG2 GLU B 191 13.151 -9.943 -2.396 1.00 0.37 H new ATOM 0 HG3 GLU B 191 14.829 -10.423 -2.239 1.00 0.37 H new ATOM 966 N ASN B 192 15.841 -8.358 0.698 1.00 0.31 N ATOM 967 CA ASN B 192 17.237 -7.955 0.715 1.00 0.44 C ATOM 968 C ASN B 192 17.345 -6.573 1.341 1.00 0.57 C ATOM 969 O ASN B 192 18.159 -6.335 2.235 1.00 1.08 O ATOM 970 CB ASN B 192 17.797 -7.930 -0.711 1.00 0.47 C ATOM 971 CG ASN B 192 19.307 -7.760 -0.765 1.00 0.62 C ATOM 972 OD1 ASN B 192 19.915 -7.128 0.095 1.00 0.68 O ATOM 973 ND2 ASN B 192 19.923 -8.327 -1.789 1.00 1.16 N ATOM 0 H ASN B 192 15.207 -7.636 1.041 1.00 0.31 H new ATOM 0 HA ASN B 192 17.815 -8.670 1.301 1.00 0.44 H new ATOM 0 HB2 ASN B 192 17.525 -8.857 -1.216 1.00 0.47 H new ATOM 0 HB3 ASN B 192 17.327 -7.116 -1.263 1.00 0.47 H new ATOM 0 HD21 ASN B 192 20.935 -8.247 -1.883 1.00 1.16 H new ATOM 0 HD22 ASN B 192 19.386 -8.844 -2.485 1.00 1.16 H new ATOM 980 N ASP B 193 16.479 -5.681 0.891 1.00 0.21 N ATOM 981 CA ASP B 193 16.503 -4.297 1.322 1.00 0.24 C ATOM 982 C ASP B 193 15.385 -4.023 2.316 1.00 0.20 C ATOM 983 O ASP B 193 14.325 -3.508 1.954 1.00 0.17 O ATOM 984 CB ASP B 193 16.357 -3.364 0.120 1.00 0.33 C ATOM 985 CG ASP B 193 17.475 -3.518 -0.887 1.00 0.84 C ATOM 986 OD1 ASP B 193 18.541 -2.897 -0.701 1.00 1.27 O ATOM 987 OD2 ASP B 193 17.291 -4.254 -1.874 1.00 1.78 O ATOM 0 H ASP B 193 15.743 -5.896 0.219 1.00 0.21 H new ATOM 0 HA ASP B 193 17.461 -4.111 1.808 1.00 0.24 H new ATOM 0 HB2 ASP B 193 15.404 -3.560 -0.371 1.00 0.33 H new ATOM 0 HB3 ASP B 193 16.330 -2.332 0.469 1.00 0.33 H new ATOM 992 N GLN B 194 15.622 -4.362 3.573 1.00 0.22 N ATOM 993 CA GLN B 194 14.647 -4.112 4.626 1.00 0.21 C ATOM 994 C GLN B 194 14.474 -2.615 4.815 1.00 0.21 C ATOM 995 O GLN B 194 13.390 -2.132 5.133 1.00 0.25 O ATOM 996 CB GLN B 194 15.089 -4.759 5.935 1.00 0.26 C ATOM 997 CG GLN B 194 15.272 -6.265 5.847 1.00 0.26 C ATOM 998 CD GLN B 194 14.021 -6.982 5.382 1.00 0.25 C ATOM 999 OE1 GLN B 194 13.160 -7.332 6.187 1.00 0.44 O ATOM 1000 NE2 GLN B 194 13.918 -7.220 4.083 1.00 0.35 N ATOM 0 H GLN B 194 16.481 -4.811 3.891 1.00 0.22 H new ATOM 0 HA GLN B 194 13.694 -4.552 4.333 1.00 0.21 H new ATOM 0 HB2 GLN B 194 16.028 -4.307 6.253 1.00 0.26 H new ATOM 0 HB3 GLN B 194 14.351 -4.537 6.706 1.00 0.26 H new ATOM 0 HG2 GLN B 194 16.089 -6.488 5.161 1.00 0.26 H new ATOM 0 HG3 GLN B 194 15.563 -6.649 6.825 1.00 0.26 H new ATOM 0 HE21 GLN B 194 14.655 -6.913 3.448 1.00 0.35 H new ATOM 0 HE22 GLN B 194 13.102 -7.710 3.718 1.00 0.35 H new ATOM 1009 N ALA B 195 15.568 -1.895 4.617 1.00 0.25 N ATOM 1010 CA ALA B 195 15.547 -0.440 4.617 1.00 0.25 C ATOM 1011 C ALA B 195 14.574 0.090 3.570 1.00 0.20 C ATOM 1012 O ALA B 195 13.930 1.122 3.766 1.00 0.19 O ATOM 1013 CB ALA B 195 16.939 0.105 4.368 1.00 0.33 C ATOM 0 H ALA B 195 16.490 -2.300 4.453 1.00 0.25 H new ATOM 0 HA ALA B 195 15.208 -0.103 5.597 1.00 0.25 H new ATOM 0 HB1 ALA B 195 16.909 1.195 4.371 1.00 0.33 H new ATOM 0 HB2 ALA B 195 17.611 -0.241 5.153 1.00 0.33 H new ATOM 0 HB3 ALA B 195 17.299 -0.246 3.401 1.00 0.33 H new ATOM 1019 N ALA B 196 14.443 -0.640 2.472 1.00 0.18 N ATOM 1020 CA ALA B 196 13.531 -0.250 1.413 1.00 0.15 C ATOM 1021 C ALA B 196 12.112 -0.585 1.821 1.00 0.11 C ATOM 1022 O ALA B 196 11.190 0.169 1.537 1.00 0.09 O ATOM 1023 CB ALA B 196 13.889 -0.928 0.104 1.00 0.18 C ATOM 0 H ALA B 196 14.956 -1.503 2.294 1.00 0.18 H new ATOM 0 HA ALA B 196 13.614 0.825 1.256 1.00 0.15 H new ATOM 0 HB1 ALA B 196 13.188 -0.617 -0.671 1.00 0.18 H new ATOM 0 HB2 ALA B 196 14.901 -0.646 -0.187 1.00 0.18 H new ATOM 0 HB3 ALA B 196 13.836 -2.010 0.228 1.00 0.18 H new ATOM 1029 N VAL B 197 11.952 -1.715 2.508 1.00 0.11 N ATOM 1030 CA VAL B 197 10.661 -2.087 3.081 1.00 0.10 C ATOM 1031 C VAL B 197 10.154 -0.963 3.975 1.00 0.11 C ATOM 1032 O VAL B 197 8.985 -0.583 3.923 1.00 0.11 O ATOM 1033 CB VAL B 197 10.754 -3.379 3.919 1.00 0.12 C ATOM 1034 CG1 VAL B 197 9.386 -3.770 4.462 1.00 0.14 C ATOM 1035 CG2 VAL B 197 11.349 -4.512 3.105 1.00 0.11 C ATOM 0 H VAL B 197 12.699 -2.387 2.681 1.00 0.11 H new ATOM 0 HA VAL B 197 9.975 -2.261 2.252 1.00 0.10 H new ATOM 0 HB VAL B 197 11.415 -3.185 4.764 1.00 0.12 H new ATOM 0 HG11 VAL B 197 9.475 -4.684 5.050 1.00 0.14 H new ATOM 0 HG12 VAL B 197 9.002 -2.968 5.093 1.00 0.14 H new ATOM 0 HG13 VAL B 197 8.700 -3.938 3.632 1.00 0.14 H new ATOM 0 HG21 VAL B 197 11.404 -5.411 3.719 1.00 0.11 H new ATOM 0 HG22 VAL B 197 10.721 -4.704 2.235 1.00 0.11 H new ATOM 0 HG23 VAL B 197 12.351 -4.236 2.775 1.00 0.11 H new ATOM 1045 N ARG B 198 11.059 -0.418 4.775 1.00 0.12 N ATOM 1046 CA ARG B 198 10.734 0.696 5.647 1.00 0.14 C ATOM 1047 C ARG B 198 10.264 1.886 4.839 1.00 0.13 C ATOM 1048 O ARG B 198 9.159 2.378 5.027 1.00 0.14 O ATOM 1049 CB ARG B 198 11.945 1.124 6.464 1.00 0.19 C ATOM 1050 CG ARG B 198 12.332 0.169 7.570 1.00 0.24 C ATOM 1051 CD ARG B 198 13.333 0.832 8.491 1.00 0.35 C ATOM 1052 NE ARG B 198 12.859 2.148 8.921 1.00 1.12 N ATOM 1053 CZ ARG B 198 13.620 3.061 9.517 1.00 1.48 C ATOM 1054 NH1 ARG B 198 14.889 2.792 9.799 1.00 1.02 N ATOM 1055 NH2 ARG B 198 13.104 4.243 9.829 1.00 2.36 N ATOM 0 H ARG B 198 12.027 -0.732 4.837 1.00 0.12 H new ATOM 0 HA ARG B 198 9.941 0.360 6.316 1.00 0.14 H new ATOM 0 HB2 ARG B 198 12.795 1.244 5.792 1.00 0.19 H new ATOM 0 HB3 ARG B 198 11.744 2.102 6.901 1.00 0.19 H new ATOM 0 HG2 ARG B 198 11.447 -0.128 8.133 1.00 0.24 H new ATOM 0 HG3 ARG B 198 12.760 -0.739 7.146 1.00 0.24 H new ATOM 0 HD2 ARG B 198 13.504 0.201 9.363 1.00 0.35 H new ATOM 0 HD3 ARG B 198 14.290 0.936 7.980 1.00 0.35 H new ATOM 0 HE ARG B 198 11.880 2.380 8.752 1.00 1.12 H new ATOM 0 HH11 ARG B 198 15.283 1.883 9.558 1.00 1.02 H new ATOM 0 HH12 ARG B 198 15.470 3.495 10.256 1.00 1.02 H new ATOM 0 HH21 ARG B 198 12.129 4.447 9.612 1.00 2.36 H new ATOM 0 HH22 ARG B 198 13.683 4.947 10.286 1.00 2.36 H new ATOM 1069 N GLN B 199 11.116 2.326 3.926 1.00 0.13 N ATOM 1070 CA GLN B 199 10.869 3.536 3.158 1.00 0.13 C ATOM 1071 C GLN B 199 9.565 3.453 2.369 1.00 0.12 C ATOM 1072 O GLN B 199 8.827 4.439 2.268 1.00 0.12 O ATOM 1073 CB GLN B 199 12.044 3.801 2.224 1.00 0.14 C ATOM 1074 CG GLN B 199 13.348 4.060 2.957 1.00 0.17 C ATOM 1075 CD GLN B 199 14.541 4.151 2.025 1.00 0.23 C ATOM 1076 OE1 GLN B 199 14.882 5.224 1.531 1.00 0.29 O ATOM 1077 NE2 GLN B 199 15.189 3.026 1.789 1.00 0.25 N ATOM 0 H GLN B 199 11.993 1.858 3.698 1.00 0.13 H new ATOM 0 HA GLN B 199 10.768 4.365 3.858 1.00 0.13 H new ATOM 0 HB2 GLN B 199 12.172 2.946 1.561 1.00 0.14 H new ATOM 0 HB3 GLN B 199 11.812 4.660 1.595 1.00 0.14 H new ATOM 0 HG2 GLN B 199 13.263 4.988 3.522 1.00 0.17 H new ATOM 0 HG3 GLN B 199 13.518 3.262 3.679 1.00 0.17 H new ATOM 0 HE21 GLN B 199 14.874 2.156 2.219 1.00 0.25 H new ATOM 0 HE22 GLN B 199 16.005 3.026 1.177 1.00 0.25 H new ATOM 1086 N VAL B 200 9.254 2.272 1.849 1.00 0.12 N ATOM 1087 CA VAL B 200 8.056 2.110 1.043 1.00 0.12 C ATOM 1088 C VAL B 200 6.821 2.091 1.932 1.00 0.12 C ATOM 1089 O VAL B 200 5.806 2.691 1.596 1.00 0.12 O ATOM 1090 CB VAL B 200 8.084 0.842 0.155 1.00 0.14 C ATOM 1091 CG1 VAL B 200 9.265 0.886 -0.794 1.00 0.16 C ATOM 1092 CG2 VAL B 200 8.120 -0.427 0.986 1.00 0.15 C ATOM 0 H VAL B 200 9.808 1.424 1.970 1.00 0.12 H new ATOM 0 HA VAL B 200 8.019 2.967 0.370 1.00 0.12 H new ATOM 0 HB VAL B 200 7.162 0.828 -0.427 1.00 0.14 H new ATOM 0 HG11 VAL B 200 9.270 -0.013 -1.411 1.00 0.16 H new ATOM 0 HG12 VAL B 200 9.185 1.765 -1.434 1.00 0.16 H new ATOM 0 HG13 VAL B 200 10.191 0.938 -0.221 1.00 0.16 H new ATOM 0 HG21 VAL B 200 8.139 -1.294 0.326 1.00 0.15 H new ATOM 0 HG22 VAL B 200 9.013 -0.427 1.611 1.00 0.15 H new ATOM 0 HG23 VAL B 200 7.234 -0.473 1.619 1.00 0.15 H new ATOM 1102 N MET B 201 6.923 1.440 3.088 1.00 0.13 N ATOM 1103 CA MET B 201 5.802 1.358 4.012 1.00 0.15 C ATOM 1104 C MET B 201 5.501 2.717 4.621 1.00 0.12 C ATOM 1105 O MET B 201 4.341 3.089 4.794 1.00 0.14 O ATOM 1106 CB MET B 201 6.083 0.347 5.124 1.00 0.20 C ATOM 1107 CG MET B 201 6.043 -1.097 4.660 1.00 1.01 C ATOM 1108 SD MET B 201 4.452 -1.548 3.949 1.00 1.58 S ATOM 1109 CE MET B 201 3.354 -1.240 5.331 1.00 1.20 C ATOM 0 H MET B 201 7.768 0.964 3.404 1.00 0.13 H new ATOM 0 HA MET B 201 4.933 1.025 3.445 1.00 0.15 H new ATOM 0 HB2 MET B 201 7.064 0.555 5.552 1.00 0.20 H new ATOM 0 HB3 MET B 201 5.352 0.484 5.921 1.00 0.20 H new ATOM 0 HG2 MET B 201 6.827 -1.260 3.921 1.00 1.01 H new ATOM 0 HG3 MET B 201 6.259 -1.753 5.504 1.00 1.01 H new ATOM 0 HE1 MET B 201 2.445 -1.829 5.212 1.00 1.20 H new ATOM 0 HE2 MET B 201 3.850 -1.522 6.260 1.00 1.20 H new ATOM 0 HE3 MET B 201 3.098 -0.181 5.364 1.00 1.20 H new ATOM 1119 N GLU B 202 6.549 3.469 4.914 1.00 0.11 N ATOM 1120 CA GLU B 202 6.401 4.766 5.552 1.00 0.11 C ATOM 1121 C GLU B 202 5.893 5.793 4.551 1.00 0.10 C ATOM 1122 O GLU B 202 5.199 6.738 4.918 1.00 0.10 O ATOM 1123 CB GLU B 202 7.728 5.218 6.163 1.00 0.12 C ATOM 1124 CG GLU B 202 8.170 4.366 7.344 1.00 0.14 C ATOM 1125 CD GLU B 202 9.454 4.862 7.980 1.00 0.19 C ATOM 1126 OE1 GLU B 202 9.444 5.972 8.559 1.00 1.06 O ATOM 1127 OE2 GLU B 202 10.478 4.146 7.917 1.00 1.00 O ATOM 0 H GLU B 202 7.514 3.202 4.719 1.00 0.11 H new ATOM 0 HA GLU B 202 5.669 4.676 6.355 1.00 0.11 H new ATOM 0 HB2 GLU B 202 8.501 5.191 5.395 1.00 0.12 H new ATOM 0 HB3 GLU B 202 7.636 6.255 6.486 1.00 0.12 H new ATOM 0 HG2 GLU B 202 7.379 4.355 8.094 1.00 0.14 H new ATOM 0 HG3 GLU B 202 8.309 3.337 7.012 1.00 0.14 H new ATOM 1134 N ARG B 203 6.207 5.584 3.278 1.00 0.09 N ATOM 1135 CA ARG B 203 5.742 6.487 2.237 1.00 0.09 C ATOM 1136 C ARG B 203 4.296 6.159 1.872 1.00 0.08 C ATOM 1137 O ARG B 203 3.513 7.050 1.563 1.00 0.09 O ATOM 1138 CB ARG B 203 6.648 6.413 1.005 1.00 0.10 C ATOM 1139 CG ARG B 203 6.193 7.303 -0.139 1.00 0.21 C ATOM 1140 CD ARG B 203 7.207 7.308 -1.267 1.00 0.15 C ATOM 1141 NE ARG B 203 6.664 7.887 -2.495 1.00 0.47 N ATOM 1142 CZ ARG B 203 7.331 7.951 -3.646 1.00 0.40 C ATOM 1143 NH1 ARG B 203 8.592 7.539 -3.715 1.00 0.60 N ATOM 1144 NH2 ARG B 203 6.735 8.431 -4.727 1.00 0.79 N ATOM 0 H ARG B 203 6.776 4.805 2.946 1.00 0.09 H new ATOM 0 HA ARG B 203 5.783 7.508 2.616 1.00 0.09 H new ATOM 0 HB2 ARG B 203 7.661 6.694 1.292 1.00 0.10 H new ATOM 0 HB3 ARG B 203 6.690 5.381 0.657 1.00 0.10 H new ATOM 0 HG2 ARG B 203 5.230 6.955 -0.513 1.00 0.21 H new ATOM 0 HG3 ARG B 203 6.045 8.320 0.225 1.00 0.21 H new ATOM 0 HD2 ARG B 203 8.087 7.872 -0.959 1.00 0.15 H new ATOM 0 HD3 ARG B 203 7.535 6.287 -1.463 1.00 0.15 H new ATOM 0 HE ARG B 203 5.717 8.265 -2.469 1.00 0.47 H new ATOM 0 HH11 ARG B 203 9.055 7.171 -2.884 1.00 0.60 H new ATOM 0 HH12 ARG B 203 9.098 7.590 -4.599 1.00 0.60 H new ATOM 0 HH21 ARG B 203 5.768 8.750 -4.677 1.00 0.79 H new ATOM 0 HH22 ARG B 203 7.243 8.481 -5.610 1.00 0.79 H new ATOM 1158 N LEU B 204 3.957 4.874 1.900 1.00 0.08 N ATOM 1159 CA LEU B 204 2.575 4.438 1.710 1.00 0.08 C ATOM 1160 C LEU B 204 1.673 4.968 2.820 1.00 0.08 C ATOM 1161 O LEU B 204 0.564 5.424 2.558 1.00 0.08 O ATOM 1162 CB LEU B 204 2.493 2.911 1.668 1.00 0.08 C ATOM 1163 CG LEU B 204 3.009 2.256 0.386 1.00 0.08 C ATOM 1164 CD1 LEU B 204 3.118 0.750 0.563 1.00 0.09 C ATOM 1165 CD2 LEU B 204 2.091 2.583 -0.780 1.00 0.09 C ATOM 0 H LEU B 204 4.620 4.114 2.053 1.00 0.08 H new ATOM 0 HA LEU B 204 2.230 4.842 0.758 1.00 0.08 H new ATOM 0 HB2 LEU B 204 3.057 2.512 2.511 1.00 0.08 H new ATOM 0 HB3 LEU B 204 1.453 2.617 1.812 1.00 0.08 H new ATOM 0 HG LEU B 204 4.002 2.652 0.172 1.00 0.08 H new ATOM 0 HD11 LEU B 204 3.487 0.301 -0.359 1.00 0.09 H new ATOM 0 HD12 LEU B 204 3.809 0.528 1.376 1.00 0.09 H new ATOM 0 HD13 LEU B 204 2.136 0.339 0.799 1.00 0.09 H new ATOM 0 HD21 LEU B 204 2.471 2.110 -1.686 1.00 0.09 H new ATOM 0 HD22 LEU B 204 1.088 2.211 -0.569 1.00 0.09 H new ATOM 0 HD23 LEU B 204 2.054 3.663 -0.923 1.00 0.09 H new ATOM 1177 N GLN B 205 2.158 4.912 4.055 1.00 0.10 N ATOM 1178 CA GLN B 205 1.380 5.372 5.203 1.00 0.12 C ATOM 1179 C GLN B 205 1.254 6.890 5.201 1.00 0.11 C ATOM 1180 O GLN B 205 0.166 7.436 5.401 1.00 0.13 O ATOM 1181 CB GLN B 205 2.010 4.900 6.512 1.00 0.17 C ATOM 1182 CG GLN B 205 1.928 3.398 6.708 1.00 0.65 C ATOM 1183 CD GLN B 205 2.522 2.942 8.024 1.00 0.76 C ATOM 1184 OE1 GLN B 205 2.512 3.675 9.012 1.00 1.30 O ATOM 1185 NE2 GLN B 205 3.031 1.723 8.050 1.00 0.81 N ATOM 0 H GLN B 205 3.084 4.554 4.289 1.00 0.10 H new ATOM 0 HA GLN B 205 0.382 4.941 5.122 1.00 0.12 H new ATOM 0 HB2 GLN B 205 3.056 5.206 6.535 1.00 0.17 H new ATOM 0 HB3 GLN B 205 1.514 5.396 7.346 1.00 0.17 H new ATOM 0 HG2 GLN B 205 0.885 3.087 6.659 1.00 0.65 H new ATOM 0 HG3 GLN B 205 2.448 2.901 5.889 1.00 0.65 H new ATOM 0 HE21 GLN B 205 3.019 1.147 7.208 1.00 0.81 H new ATOM 0 HE22 GLN B 205 3.436 1.358 8.912 1.00 0.81 H new ATOM 1194 N LYS B 206 2.369 7.567 4.966 1.00 0.10 N ATOM 1195 CA LYS B 206 2.374 9.016 4.882 1.00 0.11 C ATOM 1196 C LYS B 206 1.458 9.470 3.758 1.00 0.09 C ATOM 1197 O LYS B 206 0.620 10.350 3.938 1.00 0.09 O ATOM 1198 CB LYS B 206 3.791 9.527 4.641 1.00 0.14 C ATOM 1199 CG LYS B 206 3.879 11.035 4.514 1.00 0.20 C ATOM 1200 CD LYS B 206 5.308 11.493 4.296 1.00 0.32 C ATOM 1201 CE LYS B 206 5.392 13.004 4.194 1.00 0.93 C ATOM 1202 NZ LYS B 206 4.944 13.675 5.445 1.00 1.52 N ATOM 0 H LYS B 206 3.282 7.133 4.830 1.00 0.10 H new ATOM 0 HA LYS B 206 2.012 9.425 5.825 1.00 0.11 H new ATOM 0 HB2 LYS B 206 4.430 9.202 5.462 1.00 0.14 H new ATOM 0 HB3 LYS B 206 4.183 9.071 3.732 1.00 0.14 H new ATOM 0 HG2 LYS B 206 3.258 11.368 3.682 1.00 0.20 H new ATOM 0 HG3 LYS B 206 3.480 11.501 5.415 1.00 0.20 H new ATOM 0 HD2 LYS B 206 5.933 11.146 5.119 1.00 0.32 H new ATOM 0 HD3 LYS B 206 5.702 11.042 3.385 1.00 0.32 H new ATOM 0 HE2 LYS B 206 6.419 13.296 3.974 1.00 0.93 H new ATOM 0 HE3 LYS B 206 4.779 13.345 3.360 1.00 0.93 H new ATOM 0 HZ1 LYS B 206 5.249 14.669 5.434 1.00 1.52 H new ATOM 0 HZ2 LYS B 206 3.907 13.632 5.510 1.00 1.52 H new ATOM 0 HZ3 LYS B 206 5.362 13.193 6.266 1.00 1.52 H new ATOM 1216 N GLY B 207 1.632 8.855 2.600 1.00 0.10 N ATOM 1217 CA GLY B 207 0.791 9.139 1.461 1.00 0.10 C ATOM 1218 C GLY B 207 -0.672 8.872 1.734 1.00 0.08 C ATOM 1219 O GLY B 207 -1.529 9.607 1.264 1.00 0.09 O ATOM 0 H GLY B 207 2.353 8.154 2.429 1.00 0.10 H new ATOM 0 HA2 GLY B 207 0.918 10.182 1.172 1.00 0.10 H new ATOM 0 HA3 GLY B 207 1.115 8.533 0.615 1.00 0.10 H new ATOM 1223 N TRP B 208 -0.956 7.821 2.483 1.00 0.08 N ATOM 1224 CA TRP B 208 -2.320 7.521 2.893 1.00 0.08 C ATOM 1225 C TRP B 208 -2.883 8.685 3.706 1.00 0.09 C ATOM 1226 O TRP B 208 -4.050 9.057 3.561 1.00 0.11 O ATOM 1227 CB TRP B 208 -2.349 6.226 3.713 1.00 0.09 C ATOM 1228 CG TRP B 208 -3.724 5.791 4.119 1.00 0.08 C ATOM 1229 CD1 TRP B 208 -4.318 5.982 5.330 1.00 0.09 C ATOM 1230 CD2 TRP B 208 -4.675 5.087 3.313 1.00 0.10 C ATOM 1231 NE1 TRP B 208 -5.579 5.445 5.327 1.00 0.12 N ATOM 1232 CE2 TRP B 208 -5.823 4.889 4.103 1.00 0.12 C ATOM 1233 CE3 TRP B 208 -4.669 4.606 2.003 1.00 0.12 C ATOM 1234 CZ2 TRP B 208 -6.953 4.234 3.624 1.00 0.15 C ATOM 1235 CZ3 TRP B 208 -5.792 3.955 1.529 1.00 0.14 C ATOM 1236 CH2 TRP B 208 -6.920 3.775 2.337 1.00 0.16 C ATOM 0 H TRP B 208 -0.259 7.158 2.822 1.00 0.08 H new ATOM 0 HA TRP B 208 -2.940 7.382 2.007 1.00 0.08 H new ATOM 0 HB2 TRP B 208 -1.884 5.430 3.132 1.00 0.09 H new ATOM 0 HB3 TRP B 208 -1.743 6.362 4.609 1.00 0.09 H new ATOM 0 HD1 TRP B 208 -3.862 6.484 6.170 1.00 0.09 H new ATOM 0 HE1 TRP B 208 -6.230 5.458 6.112 1.00 0.12 H new ATOM 0 HE3 TRP B 208 -3.803 4.740 1.372 1.00 0.12 H new ATOM 0 HZ2 TRP B 208 -7.824 4.093 4.246 1.00 0.15 H new ATOM 0 HZ3 TRP B 208 -5.799 3.578 0.517 1.00 0.14 H new ATOM 0 HH2 TRP B 208 -7.782 3.263 1.936 1.00 0.16 H new ATOM 1247 N SER B 209 -2.031 9.273 4.534 1.00 0.10 N ATOM 1248 CA SER B 209 -2.414 10.409 5.358 1.00 0.12 C ATOM 1249 C SER B 209 -2.497 11.695 4.528 1.00 0.12 C ATOM 1250 O SER B 209 -3.164 12.649 4.916 1.00 0.16 O ATOM 1251 CB SER B 209 -1.411 10.579 6.505 1.00 0.15 C ATOM 1252 OG SER B 209 -1.801 11.624 7.384 1.00 1.18 O ATOM 0 H SER B 209 -1.062 8.978 4.653 1.00 0.10 H new ATOM 0 HA SER B 209 -3.404 10.215 5.771 1.00 0.12 H new ATOM 0 HB2 SER B 209 -1.330 9.645 7.061 1.00 0.15 H new ATOM 0 HB3 SER B 209 -0.423 10.794 6.098 1.00 0.15 H new ATOM 0 HG SER B 209 -1.143 11.707 8.106 1.00 1.18 H new ATOM 1258 N LEU B 210 -1.816 11.722 3.392 1.00 0.10 N ATOM 1259 CA LEU B 210 -1.826 12.900 2.530 1.00 0.11 C ATOM 1260 C LEU B 210 -2.993 12.861 1.548 1.00 0.11 C ATOM 1261 O LEU B 210 -3.564 13.895 1.201 1.00 0.12 O ATOM 1262 CB LEU B 210 -0.513 13.008 1.753 1.00 0.10 C ATOM 1263 CG LEU B 210 0.746 13.172 2.607 1.00 0.11 C ATOM 1264 CD1 LEU B 210 1.982 13.201 1.722 1.00 0.11 C ATOM 1265 CD2 LEU B 210 0.667 14.437 3.448 1.00 0.15 C ATOM 0 H LEU B 210 -1.251 10.947 3.045 1.00 0.10 H new ATOM 0 HA LEU B 210 -1.941 13.773 3.173 1.00 0.11 H new ATOM 0 HB2 LEU B 210 -0.400 12.115 1.138 1.00 0.10 H new ATOM 0 HB3 LEU B 210 -0.582 13.857 1.072 1.00 0.10 H new ATOM 0 HG LEU B 210 0.817 12.318 3.281 1.00 0.11 H new ATOM 0 HD11 LEU B 210 2.871 13.318 2.342 1.00 0.11 H new ATOM 0 HD12 LEU B 210 2.051 12.268 1.162 1.00 0.11 H new ATOM 0 HD13 LEU B 210 1.912 14.037 1.027 1.00 0.11 H new ATOM 0 HD21 LEU B 210 1.573 14.533 4.047 1.00 0.15 H new ATOM 0 HD22 LEU B 210 0.571 15.304 2.794 1.00 0.15 H new ATOM 0 HD23 LEU B 210 -0.200 14.382 4.107 1.00 0.15 H new ATOM 1277 N ALA B 211 -3.342 11.662 1.107 1.00 0.11 N ATOM 1278 CA ALA B 211 -4.370 11.476 0.093 1.00 0.14 C ATOM 1279 C ALA B 211 -5.755 11.335 0.709 1.00 0.23 C ATOM 1280 O ALA B 211 -6.680 10.852 0.056 1.00 0.37 O ATOM 1281 CB ALA B 211 -4.049 10.253 -0.752 1.00 0.20 C ATOM 0 H ALA B 211 -2.923 10.794 1.440 1.00 0.11 H new ATOM 0 HA ALA B 211 -4.379 12.365 -0.538 1.00 0.14 H new ATOM 0 HB1 ALA B 211 -4.822 10.120 -1.508 1.00 0.20 H new ATOM 0 HB2 ALA B 211 -3.084 10.391 -1.240 1.00 0.20 H new ATOM 0 HB3 ALA B 211 -4.010 9.370 -0.114 1.00 0.20 H new ATOM 1287 N LYS B 212 -5.901 11.740 1.962 1.00 0.28 N ATOM 1288 CA LYS B 212 -7.195 11.691 2.624 1.00 0.43 C ATOM 1289 C LYS B 212 -8.109 12.796 2.099 1.00 0.71 C ATOM 1290 O LYS B 212 -7.794 13.987 2.305 1.00 1.30 O ATOM 1291 CB LYS B 212 -7.037 11.786 4.147 1.00 0.42 C ATOM 1292 CG LYS B 212 -6.241 12.988 4.622 1.00 1.07 C ATOM 1293 CD LYS B 212 -6.163 13.044 6.136 1.00 1.04 C ATOM 1294 CE LYS B 212 -5.242 14.159 6.602 1.00 1.86 C ATOM 1295 NZ LYS B 212 -5.693 15.500 6.139 1.00 2.34 N ATOM 1296 OXT LYS B 212 -9.136 12.467 1.468 1.00 1.13 O ATOM 0 H LYS B 212 -5.143 12.105 2.538 1.00 0.28 H new ATOM 0 HA LYS B 212 -7.657 10.730 2.397 1.00 0.43 H new ATOM 0 HB2 LYS B 212 -8.027 11.819 4.601 1.00 0.42 H new ATOM 0 HB3 LYS B 212 -6.551 10.879 4.507 1.00 0.42 H new ATOM 0 HG2 LYS B 212 -5.234 12.945 4.207 1.00 1.07 H new ATOM 0 HG3 LYS B 212 -6.702 13.902 4.247 1.00 1.07 H new ATOM 0 HD2 LYS B 212 -7.160 13.198 6.548 1.00 1.04 H new ATOM 0 HD3 LYS B 212 -5.804 12.089 6.519 1.00 1.04 H new ATOM 0 HE2 LYS B 212 -5.190 14.152 7.691 1.00 1.86 H new ATOM 0 HE3 LYS B 212 -4.233 13.971 6.234 1.00 1.86 H new ATOM 0 HZ1 LYS B 212 -5.103 16.235 6.578 1.00 2.34 H new ATOM 0 HZ2 LYS B 212 -5.605 15.558 5.104 1.00 2.34 H new ATOM 0 HZ3 LYS B 212 -6.686 15.645 6.410 1.00 2.34 H new